A0A060VD06_HUMAN Loading...

MHC class I antigen

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

AlphaFold DB , UniProt , Accession A0A060VD06, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	40.5	Very low	241 Å²	241	143.1 Å²	143.1	100%	1.187	72%	0.721	S	S	*	*				0	120.1	0	-70.4	156.4	171.8	0	0	108.4
2	R	33.4	Very low	40.8	Very low	249 Å²	249	142.5 Å²	142.5	94%	0.94	72%	0.721	S	S	*	*			trans	-112.2	105.2	164.6	-97.5	-176.9	171.9	166.9	-2.4	106.4	M4	R2-M4 PolarHBondContact O-N 3.21Å
3	V	35.7	Very low	40.5	Very low	144 Å²	144	139.1 Å²	139.1	87%	0.873	71%	0.705	S	S	*	*			trans	-73.1	108.2	171.4	178.9	0	0	0	0	106.5	A5	V3-A5 PolarHBondContact O-N 3.34Å
4	M	38.1	Very low	40.5	Very low	169 Å²	169	133.6 Å²	133.6	83%	0.833	69%	0.686	S	S	*	*			trans	-85.4	100.7	178	-163.2	168.4	70.1	0	0	107.5	R2	R2-M4 PolarHBondContact O-N 3.21Å
5	A	42.1	Very low	40.8	Very low	61 Å²	61	127.1 Å²	127.1	50%	0.504	67%	0.665	S	S	.	*			trans	-59.3	147.2	178.6	0	0	0	0	0	111	V3 R7	V3-A5 PolarHBondContact O-N 3.34Å; A5-R7 PolarHBondContact O-N 3.17Å; A5-R7 VanDerWaalsContact O-N 3.17Å
6	P	42	Very low	41	Very low	76 Å²	76	121.4 Å²	121.4	49%	0.494	64%	0.642	S	S	.	*			trans	-67.5	117	-176.5	-13.5	27.8	0	0	0	110.3	T8 L9	P6-T8 PolarHBondContact O-N 2.67Å; P6-T8 VanDerWaalsContact O-N 3.12Å; P6-L9 PolarHBondContact O-N 3.47Å; P6-L9 VanDerWaalsContact O-N 3.07Å
7	R	46.5	Very low	40.9	Very low	202 Å²	202	120.8 Å²	120.8	76%	0.762	64%	0.638	S	S	*	*	H	α-helix	trans	-59	-23.9	179	-80.7	177.8	162.6	150.5	-7.1	113.5	A5 L11	A5-R7 PolarHBondContact O-N 3.17Å; A5-R7 VanDerWaalsContact O-N 3.17Å; R7-L11 PolarHBondContact O-N 2.68Å
8	T	47.9	Very low	40.9	Very low	103 Å²	103	117 Å²	117	63%	0.632	63%	0.627	S	S	*	*	H	α-helix	trans	-64.6	-38.3	174.2	31.6	0	0	0	0	113.3	P6 I10 L11 L12	P6-T8 PolarHBondContact O-N 2.67Å; P6-T8 VanDerWaalsContact O-N 3.12Å; T8-I10 VanDerWaalsContact C-N 3.33Å; T8-I10 PolarHBondContact O-N 3.12Å; T8-L11 PolarHBondContact O-N 3.4Å; T8-L12 PolarHBondContact O-N 3.07Å
9	L	41	Very low	40.9	Very low	109 Å²	109	115.2 Å²	115.2	57%	0.571	62%	0.617	S	S	*	*	H	α-helix	trans	-69.9	-33.9	-178.8	-138.1	119.3	0	0	0	111.7	P6 L13	P6-L9 PolarHBondContact O-N 3.47Å; P6-L9 VanDerWaalsContact O-N 3.07Å; L9-L13 HydrophobicContact CD2-CD1 4.17Å; L9-L13 PolarHBondContact O-N 2.92Å
10	I	41.7	Very low	41	Very low	97 Å²	97	113 Å²	113	50%	0.497	61%	0.608	S	S	.	*	H	α-helix	trans	-66.7	-38.4	176.6	-61.4	173.2	0	0	0	110.6	T8 S14	T8-I10 VanDerWaalsContact C-N 3.33Å; T8-I10 PolarHBondContact O-N 3.12Å; I10-S14 WeakPolarHBondContact O-CB 3.41Å; I10-S14 PolarHBondContact O-N 3.36Å; I10-S14 PolarHBondContact O-OG 2.92Å
11	L	44.6	Very low	41	Very low	123 Å²	123	115.4 Å²	115.4	64%	0.644	62%	0.615	S	S	*	*	H	α-helix	trans	-69.3	-41.2	-178.6	-75	169.9	0	0	0	112.9	R7 T8 S14 G15	R7-L11 PolarHBondContact O-N 2.68Å; T8-L11 PolarHBondContact O-N 3.4Å; L11-S14 WeakPolarHBondContact O-CB 3.37Å; L11-S14 PolarHBondContact O-N 3.32Å; L11-G15 PolarHBondContact O-N 2.92Å
12	L	43.7	Very low	41.7	Very low	136 Å²	136	108.3 Å²	108.3	71%	0.712	59%	0.586	S	S	*	*	H	α-helix	trans	-65.8	-43.7	176.5	-72.4	168.8	0	0	0	112	T8 S14 G15 A16	T8-L12 PolarHBondContact O-N 3.07Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 2.82Å; L12-G15 PolarHBondContact O-N 2.96Å; L12-A16 PolarHBondContact O-N 3.04Å
13	L	37.5	Very low	42.5	Very low	98 Å²	98	99.2 Å²	99.2	51%	0.513	55%	0.551	S	S	.	*	H	α-helix	trans	-61.7	-37.6	172.6	-76.1	165.6	0	0	0	112	L9 L17	L9-L13 HydrophobicContact CD2-CD1 4.17Å; L9-L13 PolarHBondContact O-N 2.92Å; L13-L17 VanDerWaalsContact O-CB 3.3Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 3.12Å
14	S	40.8	Very low	43.7	Very low	63 Å²	63	95 Å²	95	44%	0.441	53%	0.532	S	S	.	.	H	α-helix	trans	-65.6	-38.4	176.7	-55.2	0	0	0	0	112.2	I10 L11 L12 A18	I10-S14 WeakPolarHBondContact O-CB 3.41Å; I10-S14 PolarHBondContact O-N 3.36Å; I10-S14 PolarHBondContact O-OG 2.92Å; L11-S14 WeakPolarHBondContact O-CB 3.37Å; L11-S14 PolarHBondContact O-N 3.32Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 2.82Å; S14-A18 VanDerWaalsContact O-CB 3.24Å; S14-A18 WeakPolarHBondContact O-CB 3.17Å; S14-A18 PolarHBondContact O-N 3.35Å
15	G	44.5	Very low	45.5	Very low	36 Å²	36	88.3 Å²	88.3	37%	0.371	51%	0.506	S	S	.	.	H	α-helix	trans	-67.5	-45.6	176	0	0	0	0	0	112.8	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 2.92Å; L12-G15 PolarHBondContact O-N 2.96Å; G15-A18 PolarHBondContact O-N 3.2Å; G15-L19 PolarHBondContact O-N 3.43Å; G15-L19 VanDerWaalsContact O-N 3.08Å
16	A	44.7	Very low	47.9	Very low	36 Å²	36	87.8 Å²	87.8	30%	0.298	50%	0.499	S	S	.	.	H	α-helix	trans	-65	-42.2	177.5	0	0	0	0	0	112.4	L12 L19 T20	L12-A16 PolarHBondContact O-N 3.04Å; A16-L19 PolarHBondContact O-N 2.9Å; A16-T20 PolarHBondContact O-N 3.13Å; A16-T20 PolarHBondContact O-OG1 3.26Å
17	L	38.8	Very low	50.4	Low	110 Å²	110	85.8 Å²	85.8	58%	0.576	48%	0.483	S	S	*	.	H	α-helix	trans	-66.8	-39.9	175.9	-74	166.6	0	0	0	112.3	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.3Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 3.12Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.89Å; L17-T20 PolarHBondContact O-N 3.13Å; L17-T20 PolarHBondContact O-OG1 2.98Å; L17-E21 VanDerWaalsContact O-CB 3.24Å; L17-E21 WeakPolarHBondContact O-CB 3.47Å; L17-E21 PolarHBondContact O-N 3.27Å
18	A	41.2	Very low	52.8	Low	53 Å²	53	77.2 Å²	77.2	44%	0.438	45%	0.454	S	S	.	.	H	α-helix	trans	-65.5	-34.5	176.6	0	0	0	0	0	112.5	S14 G15 T22	S14-A18 VanDerWaalsContact O-CB 3.24Å; S14-A18 WeakPolarHBondContact O-CB 3.17Å; S14-A18 PolarHBondContact O-N 3.35Å; G15-A18 PolarHBondContact O-N 3.2Å; A18-T22 WeakPolarHBondContact O-CB 3.36Å; A18-T22 VanDerWaalsContact O-CG2 3.29Å; A18-T22 WeakPolarHBondContact O-CG2 3.14Å; A18-T22 PolarHBondContact O-N 2.82Å; A18-T22 PolarHBondContact O-OG1 3.29Å
19	L	41	Very low	55.3	Low	83 Å²	83	72.3 Å²	72.3	44%	0.435	42%	0.424	S	S	.	.	H	α-helix	trans	-67.9	-50.5	172.9	-85.9	157.8	0	0	0	111.3	G15 A16 L17 E21 T22 W23	G15-L19 PolarHBondContact O-N 3.43Å; G15-L19 VanDerWaalsContact O-N 3.08Å; A16-L19 PolarHBondContact O-N 2.9Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.89Å; L19-E21 VanDerWaalsContact C-N 3.32Å; L19-E21 PolarHBondContact O-N 3.26Å; L19-T22 PolarHBondContact O-N 3.26Å; L19-T22 PolarHBondContact O-OG1 2.78Å; L19-W23 HydrophobicContact CD2-CZ2 4.24Å; L19-W23 PolarHBondContact O-NE1 2.35Å
20	T	42.4	Very low	58	Low	71 Å²	71	69.5 Å²	69.5	44%	0.436	41%	0.406	S	S	.	.	H	α-helix	trans	-63.7	-36.2	179.8	53.1	0	0	0	0	113.1	A16 L17 T22	A16-T20 PolarHBondContact O-N 3.13Å; A16-T20 PolarHBondContact O-OG1 3.26Å; L17-T20 PolarHBondContact O-N 3.13Å; L17-T20 PolarHBondContact O-OG1 2.98Å; T20-T22 VanDerWaalsContact C-N 3.34Å; T20-T22 PolarHBondContact O-N 2.93Å
21	E	41.8	Very low	60.7	Low	163 Å²	163	65.5 Å²	65.5	76%	0.762	39%	0.385	S	S	*	.	H	α-helix	trans	-73.8	-21.4	178.6	-159.6	173.7	-139.6	0	0	113.2	L17 L19	L17-E21 VanDerWaalsContact O-CB 3.24Å; L17-E21 WeakPolarHBondContact O-CB 3.47Å; L17-E21 PolarHBondContact O-N 3.27Å; L19-E21 VanDerWaalsContact C-N 3.32Å; L19-E21 PolarHBondContact O-N 3.26Å
22	T	46.1	Very low	63.3	Low	93 Å²	93	63.7 Å²	63.7	57%	0.571	37%	0.372	S	S	*	.	H	α-helix	trans	-83.9	-15	176.9	44.4	0	0	0	0	114.5	A18 L19 T20	A18-T22 WeakPolarHBondContact O-CB 3.36Å; A18-T22 VanDerWaalsContact O-CG2 3.29Å; A18-T22 WeakPolarHBondContact O-CG2 3.14Å; A18-T22 PolarHBondContact O-N 2.82Å; A18-T22 PolarHBondContact O-OG1 3.29Å; L19-T22 PolarHBondContact O-N 3.26Å; L19-T22 PolarHBondContact O-OG1 2.78Å; T20-T22 VanDerWaalsContact C-N 3.34Å; T20-T22 PolarHBondContact O-N 2.93Å
23	W	51	Low	65.9	Low	57 Å²	57	57.5 Å²	57.5	22%	0.216	34%	0.34	C	S	.	.	H	α-helix	trans	-94.9	-42.8	-172.4	-67.6	26	0	0	0	112.2	L19 G25 S26 E236	L19-W23 HydrophobicContact CD2-CZ2 4.24Å; L19-W23 PolarHBondContact O-NE1 2.35Å; W23-G25 PolarHBondContact O-N 2.58Å; W23-S26 PolarHBondContact O-N 2.83Å; W23-S26 PolarHBondContact O-OG 3.44Å; W23-E236 HydrophobicContact CE3-CG 4.12Å; W23-E236 HydrophobicContact CH2-CB 4.38Å; W23-E236 HydrophobicContact CH2-CG 3.36Å; W23-E236 HydrophobicContact CZ2-CG 3.9Å; W23-E236 HydrophobicContact CZ3-CB 4.01Å; W23-E236 HydrophobicContact CZ3-CG 3.47Å; W23-E236 VanDerWaalsContact CZ3-CG 3.47Å
24	A	60.4	Low	68.8	Low	56 Å²	56	55.1 Å²	55.1	46%	0.463	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	109.1	-172.9	0	0	0	0	0	113.3	P129 E288	A24-P129 WeakPolarHBondContact O-CG 3.37Å; A24-E288 WeakPolarHBondContact CA-OE1 3.29Å
25	G	76.7	Confident	71.6	Confident	29 Å²	29	52.1 Å²	52.1	30%	0.299	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	16.7	174.1	0	0	0	0	0	116.3	W23 P129 E288	W23-G25 PolarHBondContact O-N 2.58Å; G25-P129 WeakPolarHBondContact O-CA 3.4Å; G25-E288 PolarHBondContact N-OE1 3.5Å
26	S	90.9	Very high	74.1	Confident	50 Å²	50	52.5 Å²	52.5	35%	0.35	30%	0.303	S	S	.	.			trans	-81.4	144.3	162	74	0	0	0	0	110.2	W23 L127	W23-S26 PolarHBondContact O-N 2.83Å; W23-S26 PolarHBondContact O-OG 3.44Å; S26-L127 WeakPolarHBondContact CA-O 3Å
27	H	95.4	Very high	76.5	Confident	33 Å²	33	51.7 Å²	51.7	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	150.8	-176.2	-69	-74	0	0	0	111.9	D53 D126 L127 L196	H27-D53 VanDerWaalsContact CA-OD1 3.29Å; H27-D53 WeakPolarHBondContact CA-OD1 3.48Å; H27-D53 IonicContact CE1-OD2 3.94Å; H27-D53 IonicContact CG-OD2 2.64Å; H27-D53 IonicContact ND1-OD1 2.92Å; H27-D53 IonicContact ND1-OD2 3.15Å; H27-D53 PolarHBondContact ND1-OD2 2.86Å; H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.41Å; H27-L127 PolarHBondContact N-O 3.32Å; H27-L127 PolarHBondContact O-N 3.23Å; H27-L196 HydrophobicContact CB-CD1 3.7Å; H27-L196 HydrophobicContact CB-CD2 4.06Å; H27-L196 HydrophobicContact CB-CG 4.48Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.39Å
28	S	97.5	Very high	78.9	Confident	23 Å²	23	53.3 Å²	53.3	16%	0.161	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151.5	-178.6	69.1	0	0	0	0	112.6	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 WeakPolarHBondContact O-CA 3.25Å; S28-D53 PolarHBondContact N-OD1 2.93Å; S28-D53 PolarHBondContact O-N 2.95Å; S28-D53 PolarHBondContact OG-OD1 2.82Å; S28-C125 WeakPolarHBondContact CA-O 3.39Å; S28-D126 VanDerWaalsContact CB-OD1 3.28Å; S28-D126 WeakPolarHBondContact CB-OD1 3.38Å
29	M	98.6	Very high	80.7	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117.1	167.7	-177.3	174.5	59.1	0	0	108.6	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.16Å; M29-Y31 HydrophobicContact CG-CE2 4.05Å; M29-Y31 HydrophobicContact SD-CE2 3.92Å; M29-Y51 WeakPolarHBondContact CA-O 3.33Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.26Å; M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.16Å; M29-C125 PolarHBondContact N-O 3.4Å; M29-C125 PolarHBondContact O-N 3.38Å; M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.14Å; M29-C188 WeakPolarHBondContact CE-SG 3.01Å; M29-W191 HydrophobicContact CE-CB 4.08Å; M29-W191 HydrophobicContact SD-CB 4.42Å; M29-L192 HydrophobicContact CB-CB 4Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.2Å; M29-L192 HydrophobicContact CE-CB 4.25Å; M29-L192 HydrophobicContact SD-CB 4.43Å; M29-Y195 HydrophobicContact SD-CD2 3.75Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å
30	R	98.6	Very high	82.5	Confident	49 Å²	49	53.2 Å²	53.2	19%	0.185	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.7	-174.2	-55.1	-62.4	-173.2	72	0.7	110.4	F32 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.5Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.99Å; R30-Y51 PolarHBondContact N-O 3.04Å; R30-Y51 PolarHBondContact O-N 2.94Å; R30-D126 IonicContact CZ-OD1 3.54Å; R30-D126 VanDerWaalsContact CZ-OD1 3.24Å; R30-D126 IonicContact CZ-OD2 3.91Å; R30-D126 IonicContact NE-OD1 2.82Å; R30-D126 PolarHBondContact NE-OD1 3.45Å; R30-D126 IonicContact NH2-OD1 3.8Å; R30-D126 PolarHBondContact NH2-OD1 2.65Å; R30-D126 IonicContact NH2-OD2 2.83Å; R30-D126 PolarHBondContact NH2-OD2 3.11Å; R30-Y137 VanDerWaalsContact NH2-CE2 3.28Å; R30-Y137 PolarHBondContact NH2-OH 2.65Å
31	Y	98.7	Very high	84.4	Confident	14 Å²	14	59.3 Å²	59.3	6%	0.055	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.3	170.8	-70.3	-87.5	0	0	0	109.6	M29 V49 F57 V58 M122 F123	M29-Y31 HydrophobicContact CE-CE2 4.16Å; M29-Y31 HydrophobicContact CG-CE2 4.05Å; M29-Y31 HydrophobicContact SD-CE2 3.92Å; Y31-V49 WeakPolarHBondContact CA-O 3.32Å; Y31-F57 HydrophobicContact CE1-CZ 4.05Å; Y31-F57 AromaticContact CZ-CZ 3.82Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.34Å; Y31-V58 HydrophobicContact CE1-CG2 4.02Å; Y31-M122 WeakPolarHBondContact O-CA 3.27Å; Y31-F123 VanDerWaalsContact CB-CE1 3.47Å; Y31-F123 HydrophobicContact CD2-CD2 4.46Å; Y31-F123 AromaticContact CD2-CE2 3.77Å; Y31-F123 HydrophobicContact CD2-CE2 3.77Å; Y31-F123 AromaticContact CD2-CZ 3.9Å; Y31-F123 HydrophobicContact CD2-CZ 3.9Å; Y31-F123 HydrophobicContact CG-CE1 4.26Å; Y31-F123 HydrophobicContact CG-CE2 4.15Å; Y31-F123 AromaticContact CG-CZ 3.79Å; Y31-F123 HydrophobicContact CG-CZ 3.79Å; Y31-F123 PolarHBondContact N-O 3.4Å; Y31-F123 PolarHBondContact O-N 3.2Å
32	F	98.8	Very high	86.4	Confident	85 Å²	85	54.2 Å²	54.2	37%	0.373	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.4	175.2	-54.9	-97	0	0	0	108.6	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.5Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.99Å; F32-A48 CarbonylContact O-C 3.58Å; F32-A48 VanDerWaalsContact O-CA 3.32Å; F32-A48 WeakPolarHBondContact O-CA 3.35Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.45Å; F32-V49 PolarHBondContact O-N 2.83Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.11Å; F32-R121 WeakPolarHBondContact CA-O 3.38Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.63Å; F32-M122 HydrophobicContact CE1-CB 4.12Å; F32-M122 HydrophobicContact CE1-CG 3.41Å; F32-M122 VanDerWaalsContact CE1-CG 3.41Å; F32-M122 HydrophobicContact CG-CG 4.43Å; F32-M122 HydrophobicContact CZ-CG 4.03Å
33	S	98.6	Very high	88.5	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.8	170.9	61.8	0	0	0	0	111.6	I47 Q120 R121	S33-I47 CarbonylContact C-O 3.49Å; S33-I47 VanDerWaalsContact CA-O 3.26Å; S33-I47 WeakPolarHBondContact CA-O 3.37Å; S33-Q120 CarbonylContact O-C 3.57Å; S33-Q120 WeakPolarHBondContact O-CA 3.34Å; S33-R121 PolarHBondContact N-O 2.89Å; S33-R121 PolarHBondContact O-N 2.91Å
34	T	98.8	Very high	90.6	Very high	47 Å²	47	53.1 Å²	53.1	29%	0.288	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.1	-179	-55.8	0	0	0	0	109	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.01Å; T34-F46 WeakPolarHBondContact O-CA 3.48Å; T34-I47 PolarHBondContact N-O 2.82Å; T34-I47 PolarHBondContact O-N 3.26Å; T34-T118 HydrophobicContact CG2-CG2 3.89Å; T34-L119 WeakPolarHBondContact CA-O 3.42Å; T34-Q120 HydrophobicContact CG2-CG 3.96Å
35	S	98.4	Very high	92.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.9	167.4	-83.7	0	0	0	0	110.9	R45 F46 D98 T118 L119	S35-R45 CarbonylContact C-O 3.6Å; S35-R45 VanDerWaalsContact CA-O 3.23Å; S35-R45 WeakPolarHBondContact CA-O 3.48Å; S35-F46 WeakPolarHBondContact OG-CD2 3.34Å; S35-D98 WeakPolarHBondContact OG-CB 3.34Å; S35-T118 CarbonylContact O-C 3.51Å; S35-T118 WeakPolarHBondContact O-CA 3.48Å; S35-L119 PolarHBondContact N-O 3.37Å; S35-L119 PolarHBondContact O-N 2.96Å
36	V	97.8	Very high	93.4	Very high	44 Å²	44	53.8 Å²	53.8	27%	0.267	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114.2	176.4	-173.5	0	0	0	0	109.2	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.01Å; V36-P44 CarbonylContact O-C 3.38Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; V36-R45 PolarHBondContact N-O 3Å; V36-R45 PolarHBondContact O-N 2.83Å; V36-H117 CarbonylContact C-O 3.53Å; V36-H117 WeakPolarHBondContact CA-O 3.3Å; V36-T118 HydrophobicContact CG2-CG2 4.3Å
37	S	94.9	Very high	93.7	Very high	20 Å²	20	53.9 Å²	53.9	14%	0.14	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.2	173.4	57.6	0	0	0	0	110.7	S116 H117	S37-S116 WeakPolarHBondContact O-CA 3.27Å; S37-S116 PolarHBondContact O-OG 2.7Å; S37-S116 VanDerWaalsContact O-OG 3.1Å; S37-H117 PolarHBondContact N-O 2.86Å; S37-H117 PolarHBondContact O-N 3.45Å; S37-H117 PolarHBondContact OG-N 3.34Å; S37-H117 PolarHBondContact OG-O 3.44Å
38	W	88.4	Confident	93.9	Very high	144 Å²	144	52.6 Å²	52.6	55%	0.545	28%	0.281	S	S	.	.			trans	-117.3	98.1	174.4	-156.9	-52.6	0	0	0	111.1	G40 R41	W38-G40 PolarHBondContact O-N 3.31Å; W38-R41 HydrophobicContact CB-CB 4.12Å; W38-R41 VanDerWaalsContact CD1-CD 3.48Å; W38-R41 VanDerWaalsContact CD1-CG 3.46Å; W38-R41 HydrophobicContact CG-CB 3.96Å; W38-R41 HydrophobicContact CG-CG 4.11Å; W38-R41 PolarHBondContact O-N 3.13Å; W38-R41 VanDerWaalsContact O-N 3.07Å
39	P	80.3	Confident	93.9	Very high	45 Å²	45	53 Å²	53	29%	0.292	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	133.6	178.3	-29	37.6	0	0	0	112.5	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.48Å; P39-E113 WeakPolarHBondContact CB-O 3.5Å; P39-E113 WeakPolarHBondContact CG-O 3.4Å; P39-G115 WeakPolarHBondContact CG-O 3.2Å
40	G	78.1	Confident	93.9	Very high	88 Å²	88	53 Å²	53	91%	0.907	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	0.5	-178.4	0	0	0	0	0	116.4	W38	W38-G40 PolarHBondContact O-N 3.31Å
41	R	82.3	Confident	93.9	Very high	199 Å²	199	54 Å²	54	75%	0.751	29%	0.287	S	S	*	.	S	Bend	trans	-114.3	11.4	177.4	-64.9	-164.1	-177.8	-141	-1.2	115.2	W38 P39	W38-R41 HydrophobicContact CB-CB 4.12Å; W38-R41 VanDerWaalsContact CD1-CD 3.48Å; W38-R41 VanDerWaalsContact CD1-CG 3.46Å; W38-R41 HydrophobicContact CG-CB 3.96Å; W38-R41 HydrophobicContact CG-CG 4.11Å; W38-R41 PolarHBondContact O-N 3.13Å; W38-R41 VanDerWaalsContact O-N 3.07Å; P39-R41 PolarHBondContact O-N 3.48Å
42	G	84.4	Confident	93.9	Very high	57 Å²	57	53.3 Å²	53.3	59%	0.588	29%	0.285	S	S	*	.	S	Bend	trans	111	-144.6	176.6	0	0	0	0	0	112.2
43	E	90.3	Very high	93.8	Very high	105 Å²	105	50.7 Å²	50.7	49%	0.491	27%	0.274	S	S	.	.	S	Bend	trans	-82.8	158.5	-179.5	-63.6	-57.6	169.4	0	0	112.4	R45 R99 R103	E43-R45 PolarHBondContact O-N 2.95Å; E43-R99 VanDerWaalsContact CD-CZ 3.47Å; E43-R99 VanDerWaalsContact CD-NH2 3.27Å; E43-R99 IonicContact OE1-CZ 3.8Å; E43-R99 VanDerWaalsContact OE1-CZ 3.28Å; E43-R99 IonicContact OE1-NE 3.74Å; E43-R99 PolarHBondContact OE1-NE 3.42Å; E43-R99 IonicContact OE1-NH2 3.51Å; E43-R99 PolarHBondContact OE1-NH2 2.94Å; E43-R99 WeakPolarHBondContact OE2-CD 3.38Å; E43-R99 IonicContact OE2-CZ 3.04Å; E43-R99 IonicContact OE2-NE 2.77Å; E43-R99 PolarHBondContact OE2-NE 3.38Å; E43-R99 IonicContact OE2-NH2 3.35Å; E43-R99 PolarHBondContact OE2-NH2 2.86Å; E43-R103 IonicContact OE2-NH2 3.72Å
44	P	94.4	Very high	93.6	Very high	22 Å²	22	53.3 Å²	53.3	14%	0.143	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-58.4	125.1	173.6	-23.7	34.8	0	0	0	111.5	V36 F46 R99 L102	V36-P44 CarbonylContact O-C 3.38Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; P44-F46 PolarHBondContact O-N 2.9Å; P44-R99 HydrophobicContact CG-CB 4.39Å; P44-R99 HydrophobicContact CG-CG 4.3Å; P44-L102 HydrophobicContact CB-CD1 3.66Å; P44-L102 HydrophobicContact CG-CD1 3.85Å
45	R	97.1	Very high	93.5	Very high	98 Å²	98	51.8 Å²	51.8	37%	0.37	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	130.7	173	178.8	177.5	-169.2	176.6	-3.4	108.7	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.6Å; S35-R45 VanDerWaalsContact CA-O 3.23Å; S35-R45 WeakPolarHBondContact CA-O 3.48Å; V36-R45 PolarHBondContact N-O 3Å; V36-R45 PolarHBondContact O-N 2.83Å; E43-R45 PolarHBondContact O-N 2.95Å; R45-I47 HydrophobicContact CG-CG1 4.22Å; R45-D61 IonicContact CZ-OD1 3.9Å; R45-D61 IonicContact CZ-OD2 3.17Å; R45-D61 IonicContact NE-OD1 3.36Å; R45-D61 PolarHBondContact NE-OD1 2.93Å; R45-D61 IonicContact NE-OD2 3.28Å; R45-D61 VanDerWaalsContact NH2-CG 3.3Å; R45-D61 IonicContact NH2-OD1 3.38Å; R45-D61 PolarHBondContact NH2-OD1 2.9Å; R45-D61 VanDerWaalsContact NH2-OD1 3.08Å; R45-D61 IonicContact NH2-OD2 2.69Å; R45-D61 PolarHBondContact NH2-OD2 2.92Å; R45-S62 WeakPolarHBondContact CA-OG 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CG-OD1 3.24Å; R45-D63 WeakPolarHBondContact CG-OD2 3.27Å; R45-D63 IonicContact NE-OD2 3.35Å
46	F	98.4	Very high	93.5	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121	175.2	173.8	-88.1	0	0	0	109.7	T34 S35 P44 A48 F60 S62 Y91 Q94 A95	T34-F46 WeakPolarHBondContact O-CA 3.48Å; S35-F46 WeakPolarHBondContact OG-CD2 3.34Å; P44-F46 PolarHBondContact O-N 2.9Å; F46-A48 HydrophobicContact CE1-CB 3.66Å; F46-A48 HydrophobicContact CZ-CB 3.78Å; F46-F60 AromaticContact CD1-CD1 3.66Å; F46-F60 HydrophobicContact CD1-CD1 3.66Å; F46-F60 AromaticContact CD1-CE1 3.8Å; F46-F60 HydrophobicContact CD1-CE1 3.8Å; F46-F60 AromaticContact CE1-CD1 3.84Å; F46-F60 HydrophobicContact CE1-CD1 3.84Å; F46-F60 HydrophobicContact CE1-CE1 4.25Å; F46-S62 PolarHBondContact N-OG 2.62Å; F46-S62 PolarHBondContact O-N 2.87Å; F46-S62 PolarHBondContact O-OG 3Å; F46-Y91 HydrophobicContact CE1-CD1 4.24Å; F46-Q94 HydrophobicContact CE2-CB 4.11Å; F46-Q94 HydrophobicContact CE2-CG 3.6Å; F46-Q94 HydrophobicContact CZ-CB 3.92Å; F46-Q94 HydrophobicContact CZ-CG 3.74Å; F46-A95 HydrophobicContact CB-CB 3.63Å; F46-A95 HydrophobicContact CD1-CB 3.86Å; F46-A95 HydrophobicContact CD2-CB 4.05Å; F46-A95 HydrophobicContact CG-CB 3.57Å
47	I	98.6	Very high	93.5	Very high	52 Å²	52	52.1 Å²	52.1	27%	0.267	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.4	171.6	-56.1	177	0	0	0	107.5	S33 T34 R45 F60	S33-I47 CarbonylContact C-O 3.49Å; S33-I47 VanDerWaalsContact CA-O 3.26Å; S33-I47 WeakPolarHBondContact CA-O 3.37Å; T34-I47 PolarHBondContact N-O 2.82Å; T34-I47 PolarHBondContact O-N 3.26Å; R45-I47 HydrophobicContact CG-CG1 4.22Å; I47-F60 WeakPolarHBondContact CA-O 3.37Å
48	A	98.6	Very high	93.6	Very high	5 Å²	5	51.2 Å²	51.2	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	144.2	168.4	0	0	0	0	0	110.9	F32 F46 R59 F60 Y91	F32-A48 CarbonylContact O-C 3.58Å; F32-A48 VanDerWaalsContact O-CA 3.32Å; F32-A48 WeakPolarHBondContact O-CA 3.35Å; F46-A48 HydrophobicContact CE1-CB 3.66Å; F46-A48 HydrophobicContact CZ-CB 3.78Å; A48-R59 CarbonylContact O-C 3.57Å; A48-R59 WeakPolarHBondContact O-CA 3.45Å; A48-F60 HydrophobicContact CB-CB 4.39Å; A48-F60 PolarHBondContact N-O 3.27Å; A48-F60 PolarHBondContact O-N 3Å; A48-Y91 HydrophobicContact CB-CD1 3.68Å; A48-Y91 HydrophobicContact CB-CE1 3.64Å
49	V	98.8	Very high	94.1	Very high	31 Å²	31	48.2 Å²	48.2	19%	0.188	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.1	176.2	-63	0	0	0	0	109.6	Y31 F32 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.32Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.45Å; F32-V49 PolarHBondContact O-N 2.83Å; V49-Y51 HydrophobicContact CB-CE2 4.15Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; V49-V58 WeakPolarHBondContact CA-O 3.22Å; V49-R59 HydrophobicContact CG1-CG 4.29Å
50	G	98.6	Very high	95	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.4	176.4	0	0	0	0	0	110.3	F57 V58	G50-F57 WeakPolarHBondContact O-CD1 3.37Å; G50-F57 PolarHBondContact O-N 3.43Å; G50-V58 PolarHBondContact N-O 3.31Å; G50-V58 PolarHBondContact O-N 2.94Å
51	Y	98.5	Very high	95.9	Very high	71 Å²	71	42.7 Å²	42.7	28%	0.278	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.4	179.2	-75.8	-103.4	0	0	0	110.3	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.33Å; R30-Y51 PolarHBondContact N-O 3.04Å; R30-Y51 PolarHBondContact O-N 2.94Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.11Å; V49-Y51 HydrophobicContact CB-CE2 4.15Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 VanDerWaalsContact CA-O 3.3Å; Y51-T55 WeakPolarHBondContact CA-O 3.01Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.28Å; Y51-Q56 HydrophobicContact CE1-CB 3.55Å; Y51-Q56 HydrophobicContact CE1-CG 4.25Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.81Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å
52	V	98.1	Very high	96.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.5	155.6	176.7	0	0	0	0	105.5	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 WeakPolarHBondContact O-CA 3.25Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; V52-D54 PolarHBondContact O-N 2.79Å; V52-T55 PolarHBondContact N-O 3.18Å; V52-T55 WeakPolarHBondContact O-CB 3.19Å; V52-T55 PolarHBondContact O-N 3.07Å; V52-F57 HydrophobicContact CG2-CD1 3.96Å; V52-F57 HydrophobicContact CG2-CE1 3.93Å; V52-W75 HydrophobicContact CB-CH2 4.41Å; V52-W75 HydrophobicContact CG2-CH2 3.95Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.93Å; V52-Y195 HydrophobicContact CG2-CG 4.44Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CB-CD1 4.31Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.92Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å
53	D	95.9	Very high	97.2	Very high	30 Å²	30	37 Å²	37	16%	0.16	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-126.8	-166.6	-52.7	-43	0	0	0	110.7	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.29Å; H27-D53 WeakPolarHBondContact CA-OD1 3.48Å; H27-D53 IonicContact CE1-OD2 3.94Å; H27-D53 IonicContact CG-OD2 2.64Å; H27-D53 IonicContact ND1-OD1 2.92Å; H27-D53 IonicContact ND1-OD2 3.15Å; H27-D53 PolarHBondContact ND1-OD2 2.86Å; S28-D53 PolarHBondContact N-OD1 2.93Å; S28-D53 PolarHBondContact O-N 2.95Å; S28-D53 PolarHBondContact OG-OD1 2.82Å; D53-T55 VanDerWaalsContact C-N 3.33Å
54	D	95.7	Very high	97.4	Very high	61 Å²	61	33.6 Å²	33.6	33%	0.326	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1	178.2	-64.5	-57.9	0	0	0	114	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.79Å; D54-Y233 HydrophobicContact CB-CE2 4.04Å; D54-P234 WeakPolarHBondContact OD2-CB 3.31Å; D54-A235 HydrophobicContact CB-CB 4.26Å; D54-A235 VanDerWaalsContact CG-CB 3.42Å; D54-A235 VanDerWaalsContact OD2-CB 3.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.45Å; D54-A235 PolarHBondContact OD2-N 2.91Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.75Å
55	T	96.5	Very high	97.4	Very high	14 Å²	14	38.2 Å²	38.2	9%	0.086	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.8	-174.2	-62.5	0	0	0	0	111.7	Y51 V52 D53 F57 E73 L203 Y233	Y51-T55 VanDerWaalsContact CA-O 3.3Å; Y51-T55 WeakPolarHBondContact CA-O 3.01Å; V52-T55 PolarHBondContact N-O 3.18Å; V52-T55 WeakPolarHBondContact O-CB 3.19Å; V52-T55 PolarHBondContact O-N 3.07Å; D53-T55 VanDerWaalsContact C-N 3.33Å; T55-F57 PolarHBondContact O-N 3.33Å; T55-E73 HydrophobicContact CG2-CG 3.56Å; T55-E73 WeakPolarHBondContact CG2-OE1 3.45Å; T55-L203 HydrophobicContact CG2-CD2 4.04Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.46Å; T55-Y233 PolarHBondContact OG1-OH 3.31Å
56	Q	97.3	Very high	97.3	Very high	51 Å²	51	37.5 Å²	37.5	24%	0.238	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	115.5	176.8	-168.6	-171.6	-9.6	0	0	110.8	V49 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.28Å; Y51-Q56 HydrophobicContact CE1-CB 3.55Å; Y51-Q56 HydrophobicContact CE1-CG 4.25Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.81Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Q56-V58 PolarHBondContact NE2-O 3.17Å; Q56-R72 HydrophobicContact CG-CG 4.48Å; Q56-R72 WeakPolarHBondContact O-CB 3.42Å
57	F	97.8	Very high	97.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-21.9	-177.7	75.8	-81.3	0	0	0	115.1	M29 Y31 G50 V52 T55 R72 E73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.4Å; M29-F57 HydrophobicContact SD-CZ 4.26Å; Y31-F57 HydrophobicContact CE1-CZ 4.05Å; Y31-F57 AromaticContact CZ-CZ 3.82Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.34Å; G50-F57 WeakPolarHBondContact O-CD1 3.37Å; G50-F57 PolarHBondContact O-N 3.43Å; V52-F57 HydrophobicContact CG2-CD1 3.96Å; V52-F57 HydrophobicContact CG2-CE1 3.93Å; T55-F57 PolarHBondContact O-N 3.33Å; F57-R72 PolarHBondContact O-N 3.22Å; F57-E73 HydrophobicContact CB-CB 4.41Å; F57-E73 HydrophobicContact CB-CG 4.31Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.4Å; F57-W75 HydrophobicContact CB-CZ3 3.98Å; F57-W75 HydrophobicContact CD1-CH2 4.09Å; F57-W75 AromaticContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CZ3 4.01Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.17Å; F57-W75 HydrophobicContact CG-CZ3 4.14Å; F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.34Å; F57-V76 HydrophobicContact CD2-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CG2 4.12Å; F57-V76 WeakPolarHBondContact O-CG1 3.49Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE2-CD2 4.12Å; F57-Y195 HydrophobicContact CE2-CE1 4.48Å; F57-Y195 AromaticContact CE2-CE2 3.52Å; F57-Y195 HydrophobicContact CE2-CE2 3.52Å; F57-Y195 AromaticContact CE2-CZ 3.74Å; F57-Y195 HydrophobicContact CZ-CD2 4.14Å; F57-Y195 AromaticContact CZ-CE2 3.62Å; F57-Y195 HydrophobicContact CZ-CE2 3.62Å
58	V	98.1	Very high	97.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.6	177.5	-74	0	0	0	0	113.7	Y31 V49 G50 Q56 E70 W84	Y31-V58 HydrophobicContact CE1-CG2 4.02Å; V49-V58 WeakPolarHBondContact CA-O 3.22Å; G50-V58 PolarHBondContact N-O 3.31Å; G50-V58 PolarHBondContact O-N 2.94Å; Q56-V58 PolarHBondContact NE2-O 3.17Å; V58-E70 WeakPolarHBondContact CA-O 3.34Å; V58-W84 HydrophobicContact CG1-CH2 3.85Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å
59	R	98.3	Very high	97.1	Very high	82 Å²	82	43.9 Å²	43.9	31%	0.309	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.2	169.1	-177.8	169.6	168.3	171.5	-4.4	111.6	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.57Å; A48-R59 WeakPolarHBondContact O-CA 3.45Å; V49-R59 HydrophobicContact CG1-CG 4.29Å; R59-D61 IonicContact CZ-OD2 3.36Å; R59-D61 IonicContact NE-OD2 2.8Å; R59-D61 IonicContact NH2-OD2 3.4Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å; R59-E70 PolarHBondContact N-O 3.41Å; R59-E70 PolarHBondContact O-N 3.45Å; R59-R72 HydrophobicContact CB-CG 4.2Å
60	F	98.6	Very high	97	Very high	4 Å²	4	45 Å²	45	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.7	163.1	178.9	-82.6	0	0	0	108.9	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.66Å; F46-F60 HydrophobicContact CD1-CD1 3.66Å; F46-F60 AromaticContact CD1-CE1 3.8Å; F46-F60 HydrophobicContact CD1-CE1 3.8Å; F46-F60 AromaticContact CE1-CD1 3.84Å; F46-F60 HydrophobicContact CE1-CD1 3.84Å; F46-F60 HydrophobicContact CE1-CE1 4.25Å; I47-F60 WeakPolarHBondContact CA-O 3.37Å; A48-F60 HydrophobicContact CB-CB 4.39Å; A48-F60 PolarHBondContact N-O 3.27Å; A48-F60 PolarHBondContact O-N 3Å; F60-P67 HydrophobicContact CE1-CB 4.47Å; F60-P67 HydrophobicContact CE2-CB 3.95Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.47Å; F60-Y91 HydrophobicContact CB-CD1 4.16Å; F60-Y91 HydrophobicContact CB-CD2 3.64Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.72Å; F60-Y91 HydrophobicContact CD1-CG 4.38Å; F60-Y91 AromaticContact CD2-CD2 3.66Å; F60-Y91 HydrophobicContact CD2-CD2 3.66Å; F60-Y91 AromaticContact CD2-CG 3.84Å; F60-Y91 HydrophobicContact CD2-CG 3.84Å; F60-Y91 HydrophobicContact CG-CD1 4.48Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.72Å; F60-Y91 HydrophobicContact CG-CG 3.72Å; F60-K92 HydrophobicContact CE2-CG 4.24Å; F60-K92 HydrophobicContact CZ-CG 4Å
61	D	98.3	Very high	97	Very high	13 Å²	13	47 Å²	47	7%	0.07	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	123.6	176.6	-155.1	-35.7	0	0	0	108.8	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.9Å; R45-D61 IonicContact CZ-OD2 3.17Å; R45-D61 IonicContact NE-OD1 3.36Å; R45-D61 PolarHBondContact NE-OD1 2.93Å; R45-D61 IonicContact NE-OD2 3.28Å; R45-D61 VanDerWaalsContact NH2-CG 3.3Å; R45-D61 IonicContact NH2-OD1 3.38Å; R45-D61 PolarHBondContact NH2-OD1 2.9Å; R45-D61 VanDerWaalsContact NH2-OD1 3.08Å; R45-D61 IonicContact NH2-OD2 2.69Å; R45-D61 PolarHBondContact NH2-OD2 2.92Å; R59-D61 IonicContact CZ-OD2 3.36Å; R59-D61 IonicContact NE-OD2 2.8Å; R59-D61 IonicContact NH2-OD2 3.4Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å; D61-D63 PolarHBondContact O-N 2.8Å; D61-D63 PolarHBondContact OD1-N 3.4Å; D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 PolarHBondContact O-N 2.94Å
62	S	97.1	Very high	96.9	Very high	35 Å²	35	48.9 Å²	48.9	25%	0.245	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.2	-179.7	58	0	0	0	0	113.6	R45 F46 P67	R45-S62 WeakPolarHBondContact CA-OG 3.29Å; F46-S62 PolarHBondContact N-OG 2.62Å; F46-S62 PolarHBondContact O-N 2.87Å; F46-S62 PolarHBondContact O-OG 3Å; S62-P67 VanDerWaalsContact O-CG 3.29Å; S62-P67 WeakPolarHBondContact O-CG 3.24Å
63	D	95.6	Very high	96.8	Very high	100 Å²	100	51.2 Å²	51.2	54%	0.535	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	0.2	-172	-63.9	15.1	0	0	0	111.7	R45 D61	R45-D63 WeakPolarHBondContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CG-OD1 3.24Å; R45-D63 WeakPolarHBondContact CG-OD2 3.27Å; R45-D63 IonicContact NE-OD2 3.35Å; D61-D63 PolarHBondContact O-N 2.8Å; D61-D63 PolarHBondContact OD1-N 3.4Å
64	A	95.5	Very high	96.7	Very high	35 Å²	35	54.1 Å²	54.1	29%	0.289	30%	0.3	S	S	.	.	S	Bend	trans	-63.3	146.9	170.2	0	0	0	0	0	110.7	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 PolarHBondContact O-N 2.94Å; A64-S66 PolarHBondContact O-N 3.45Å; A64-P67 WeakPolarHBondContact O-CD 3.41Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.44Å
65	A	95.1	Very high	96.7	Very high	118 Å²	118	52 Å²	52	98%	0.975	29%	0.287	S	S	*	.	S	Bend	trans	-59.7	-24.2	-179.5	0	0	0	0	0	113.8
66	S	94.8	Very high	96.7	Very high	83 Å²	83	51.3 Å²	51.3	58%	0.58	28%	0.283	S	S	*	.	S	Bend	trans	-139.3	90.7	169.3	-173.5	0	0	0	0	109.3	A64 R68	A64-S66 PolarHBondContact O-N 3.45Å; S66-R68 PolarHBondContact O-N 3.08Å; S66-R68 VanDerWaalsContact O-N 3.1Å
67	P	96.2	Very high	96.6	Very high	35 Å²	35	54.7 Å²	54.7	23%	0.227	30%	0.299	C	S	.	.			trans	-65.5	112.6	-174	-24.6	36	0	0	0	111.8	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.47Å; F60-P67 HydrophobicContact CE2-CB 3.95Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; S62-P67 VanDerWaalsContact O-CG 3.29Å; S62-P67 WeakPolarHBondContact O-CG 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.41Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.44Å; P67-K92 WeakPolarHBondContact O-CE 3.38Å; P67-K92 PolarHBondContact O-NZ 2.89Å
68	R	97.4	Very high	96.3	Very high	153 Å²	153	60.7 Å²	60.7	58%	0.577	33%	0.327	S	S	*	.			trans	-144.3	161.6	177.4	62.8	-176.9	174.6	175.3	0.3	110.4	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.47Å; S66-R68 PolarHBondContact O-N 3.08Å; S66-R68 VanDerWaalsContact O-N 3.1Å; R68-E70 HydrophobicContact CG-CG 4.36Å; R68-T88 HydrophobicContact CB-CG2 4.26Å
69	G	96.8	Very high	96.2	Very high	5 Å²	5	61.2 Å²	61.2	5%	0.052	33%	0.329	C	S	.	.			trans	-66	130.3	166	0	0	0	0	0	109.2	T88	G69-T88 PolarHBondContact N-OG1 3.34Å
70	E	97.1	Very high	96	Very high	54 Å²	54	59 Å²	59	25%	0.252	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.9	179.8	-63.6	178.9	155	0	0	109.5	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.34Å; R59-E70 PolarHBondContact N-O 3.41Å; R59-E70 PolarHBondContact O-N 3.45Å; R68-E70 HydrophobicContact CG-CG 4.36Å; E70-R72 IonicContact OE2-CZ 2.76Å; E70-R72 IonicContact OE2-NH2 3.96Å; E70-R72 PolarHBondContact OE2-NH2 2.82Å
71	P	97.5	Very high	95.9	Very high	43 Å²	43	63.6 Å²	63.6	28%	0.279	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	153.4	169.2	28.9	-34.1	0	0	0	110.5	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.94Å; P71-E77 HydrophobicContact CB-CG 3.58Å; P71-E77 HydrophobicContact CG-CG 3.79Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.83Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.29Å
72	R	96.8	Very high	95.9	Very high	110 Å²	110	70.7 Å²	70.7	42%	0.415	40%	0.395	S	S	.	.			trans	-128	-9.5	171.9	-62.2	-68.1	160.6	175	-5.6	112.8	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CG 4.48Å; Q56-R72 WeakPolarHBondContact O-CB 3.42Å; F57-R72 PolarHBondContact O-N 3.22Å; R59-R72 HydrophobicContact CB-CG 4.2Å; E70-R72 IonicContact OE2-CZ 2.76Å; E70-R72 IonicContact OE2-NH2 3.96Å; E70-R72 PolarHBondContact OE2-NH2 2.82Å
73	E	95.7	Very high	95.8	Very high	49 Å²	49	69.4 Å²	69.4	23%	0.229	39%	0.385	C	S	.	.	S	Bend	trans	-133.9	143.5	177	-73.1	-60.3	150.5	0	0	111.9	T55 F57 W75 V76	T55-E73 HydrophobicContact CG2-CG 3.56Å; T55-E73 WeakPolarHBondContact CG2-OE1 3.45Å; F57-E73 HydrophobicContact CB-CB 4.41Å; F57-E73 HydrophobicContact CB-CG 4.31Å; E73-W75 VanDerWaalsContact C-N 3.27Å; E73-W75 HydrophobicContact CB-CD2 4.14Å; E73-W75 HydrophobicContact CB-CG 4.25Å; E73-W75 HydrophobicContact CB-CZ2 4.11Å; E73-W75 HydrophobicContact CG-CZ2 4.13Å; E73-W75 PolarHBondContact O-N 3.44Å; E73-V76 VanDerWaalsContact O-CG1 3.26Å; E73-V76 WeakPolarHBondContact O-CG1 3.11Å; E73-V76 PolarHBondContact O-N 3.24Å
74	P	95.4	Very high	95.9	Very high	91 Å²	91	66.5 Å²	66.5	59%	0.591	37%	0.367	S	S	*	.	H	α-helix	trans	-58.2	-35	-179	-25.5	34.8	0	0	0	114.1	V76 E77	P74-V76 PolarHBondContact O-N 3.41Å; P74-E77 WeakPolarHBondContact O-CB 2.94Å; P74-E77 PolarHBondContact O-N 2.93Å; P74-E77 VanDerWaalsContact O-N 3.08Å
75	W	95.3	Very high	96	Very high	16 Å²	16	70 Å²	70	6%	0.061	38%	0.38	C	S	.	.	H	α-helix	trans	-70.6	-12.3	-176.3	56.4	-106.1	0	0	0	114.5	V52 F57 E73 Q78 Y195 N198 G199 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.41Å; V52-W75 HydrophobicContact CG2-CH2 3.95Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.4Å; F57-W75 HydrophobicContact CB-CZ3 3.98Å; F57-W75 HydrophobicContact CD1-CH2 4.09Å; F57-W75 AromaticContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CZ3 4.01Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.17Å; F57-W75 HydrophobicContact CG-CZ3 4.14Å; E73-W75 VanDerWaalsContact C-N 3.27Å; E73-W75 HydrophobicContact CB-CD2 4.14Å; E73-W75 HydrophobicContact CB-CG 4.25Å; E73-W75 HydrophobicContact CB-CZ2 4.11Å; E73-W75 HydrophobicContact CG-CZ2 4.13Å; E73-W75 PolarHBondContact O-N 3.44Å; W75-Q78 WeakPolarHBondContact O-CG 3.39Å; W75-Q78 PolarHBondContact O-NE2 3.16Å; W75-Y195 HydrophobicContact CE3-CD1 4.28Å; W75-Y195 HydrophobicContact CE3-CG 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.2Å; W75-Y195 AromaticContact CZ3-CD1 3.63Å; W75-Y195 HydrophobicContact CZ3-CD1 3.63Å; W75-Y195 HydrophobicContact CZ3-CD2 4.34Å; W75-Y195 HydrophobicContact CZ3-CE1 4.42Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; W75-N198 HydrophobicContact CB-CB 4.35Å; W75-N198 WeakPolarHBondContact CB-O 3.2Å; W75-G199 VanDerWaalsContact CG-CA 3.44Å; W75-T202 PolarHBondContact NE1-OG1 3.02Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.23Å; W75-L203 HydrophobicContact CZ2-CD1 3.79Å; W75-L203 HydrophobicContact CZ2-CD2 4.03Å; W75-L203 HydrophobicContact CZ2-CG 4.29Å
76	V	96.6	Very high	96.1	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-99.7	-19.5	169	71.3	0	0	0	0	112.6	F57 P71 E73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.34Å; F57-V76 HydrophobicContact CD2-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CG2 4.12Å; F57-V76 WeakPolarHBondContact O-CG1 3.49Å; P71-V76 HydrophobicContact CB-CG1 3.94Å; E73-V76 VanDerWaalsContact O-CG1 3.26Å; E73-V76 WeakPolarHBondContact O-CG1 3.11Å; E73-V76 PolarHBondContact O-N 3.24Å; P74-V76 PolarHBondContact O-N 3.41Å; V76-Q78 PolarHBondContact O-N 3.03Å; V76-E79 HydrophobicContact CG2-CG 3.95Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.18Å; V76-E79 WeakPolarHBondContact O-CG 3.35Å; V76-E79 PolarHBondContact O-N 3.47Å; V76-Y83 HydrophobicContact CG2-CE1 4.08Å; V76-W84 HydrophobicContact CG1-CH2 4.11Å; V76-W84 HydrophobicContact CG1-CZ2 4.32Å; V76-W84 HydrophobicContact CG2-CH2 3.96Å; V76-W84 HydrophobicContact CG2-CZ2 3.95Å; V76-W84 WeakPolarHBondContact O-CZ2 3.28Å; V76-Y195 HydrophobicContact CG2-CE1 4.4Å
77	E	94.2	Very high	96.2	Very high	121 Å²	121	65.6 Å²	65.6	57%	0.565	33%	0.326	S	S	*	.	H	α-helix	trans	-59.1	-30.3	176.9	-65.6	-171.8	163.9	0	0	112.9	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.58Å; P71-E77 HydrophobicContact CG-CG 3.79Å; P74-E77 WeakPolarHBondContact O-CB 2.94Å; P74-E77 PolarHBondContact O-N 2.93Å; P74-E77 VanDerWaalsContact O-N 3.08Å; E77-E79 PolarHBondContact O-N 2.93Å
78	Q	92.9	Very high	96.3	Very high	126 Å²	126	64.4 Å²	64.4	59%	0.589	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-8.7	174.7	63.7	176.8	2.9	0	0	114.9	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.39Å; W75-Q78 PolarHBondContact O-NE2 3.16Å; V76-Q78 PolarHBondContact O-N 3.03Å; Q78-N198 PolarHBondContact NE2-ND2 3.08Å
79	E	95.6	Very high	96.4	Very high	12 Å²	12	62 Å²	62	6%	0.056	31%	0.314	C	S	.	.	S	Bend	trans	-67.9	132.4	172.3	-67.9	-62.2	147.4	0	0	110.9	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.95Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.18Å; V76-E79 WeakPolarHBondContact O-CG 3.35Å; V76-E79 PolarHBondContact O-N 3.47Å; E77-E79 PolarHBondContact O-N 2.93Å; E79-Y83 HydrophobicContact CB-CD1 3.5Å; E79-Y83 HydrophobicContact CB-CD2 4.39Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.7Å; E79-Y83 HydrophobicContact CG-CD1 4.09Å; E79-Y83 HydrophobicContact CG-CD2 4.37Å; E79-Y83 HydrophobicContact CG-CE1 4.29Å; E79-Y83 HydrophobicContact CG-CG 4.16Å; E79-W84 VanDerWaalsContact O-CD1 3.23Å; E79-W84 PolarHBondContact O-NE1 2.83Å; E79-R194 IonicContact OE1-CZ 3.21Å; E79-R194 IonicContact OE1-NE 3.24Å; E79-R194 PolarHBondContact OE1-NE 3Å; E79-R194 IonicContact OE1-NH2 3.77Å; E79-R194 PolarHBondContact OE1-NH2 2.98Å; E79-R194 IonicContact OE2-CZ 3.88Å; E79-R194 IonicContact OE2-NE 3.15Å; E79-R194 IonicContact OE2-NH2 2.63Å; E79-R194 PolarHBondContact OE2-NH2 2.88Å; E79-N198 PolarHBondContact OE1-ND2 2.81Å
80	G	94.6	Very high	96.4	Very high	37 Å²	37	65.3 Å²	65.3	38%	0.381	33%	0.327	S	S	.	.			trans	-66.7	167.7	-173.5	0	0	0	0	0	114.8	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.01Å; G80-E82 VanDerWaalsContact O-N 3.15Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 2.02Å; G80-W84 PolarHBondContact O-N 2.94Å
81	P	96	Very high	96.4	Very high	99 Å²	99	63.6 Å²	63.6	64%	0.643	32%	0.318	S	S	*	.	H	α-helix	trans	-56.7	-35.6	-176.3	22.2	-33.5	0	0	0	113.4	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.25Å; P81-Y83 PolarHBondContact O-N 3.25Å; P81-W84 PolarHBondContact O-N 2.84Å; P81-W84 VanDerWaalsContact O-N 3.13Å; P81-D85 PolarHBondContact O-N 2.86Å
82	E	96.9	Very high	96.5	Very high	163 Å²	163	65.4 Å²	65.4	76%	0.762	32%	0.322	S	S	*	.	H	α-helix	trans	-59.3	-33	176.3	-61.5	-175.4	178.9	0	0	113.5	G80 R86	G80-E82 PolarHBondContact O-N 3.01Å; G80-E82 VanDerWaalsContact O-N 3.15Å; E82-R86 WeakPolarHBondContact O-CB 3.21Å; E82-R86 PolarHBondContact O-N 3.28Å; E82-R86 VanDerWaalsContact O-N 3.11Å
83	Y	96.9	Very high	96.5	Very high	7 Å²	7	67.9 Å²	67.9	3%	0.027	33%	0.331	C	S	.	.	H	α-helix	trans	-66.4	-53.4	173.5	167.8	-90.5	0	0	0	109.6	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.08Å; E79-Y83 HydrophobicContact CB-CD1 3.5Å; E79-Y83 HydrophobicContact CB-CD2 4.39Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.7Å; E79-Y83 HydrophobicContact CG-CD1 4.09Å; E79-Y83 HydrophobicContact CG-CD2 4.37Å; E79-Y83 HydrophobicContact CG-CE1 4.29Å; E79-Y83 HydrophobicContact CG-CG 4.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 2.02Å; P81-Y83 VanDerWaalsContact C-N 3.25Å; P81-Y83 PolarHBondContact O-N 3.25Å; Y83-D85 PolarHBondContact O-N 2.81Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.33Å; Y83-R86 PolarHBondContact O-N 2.83Å; Y83-E87 HydrophobicContact CD1-CG 4.38Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 4.04Å; Y83-E87 HydrophobicContact CE2-CG 3.7Å; Y83-E87 HydrophobicContact CG-CG 4.38Å; Y83-E87 WeakPolarHBondContact O-CG 3.38Å; Y83-E87 PolarHBondContact O-N 3.48Å; Y83-W191 AromaticContact CD2-CH2 3.63Å; Y83-W191 HydrophobicContact CD2-CH2 3.63Å; Y83-W191 HydrophobicContact CD2-CZ2 4.27Å; Y83-W191 AromaticContact CD2-CZ3 3.87Å; Y83-W191 HydrophobicContact CD2-CZ3 3.87Å; Y83-W191 HydrophobicContact CE2-CE3 4.33Å; Y83-W191 HydrophobicContact CE2-CH2 4.03Å; Y83-W191 AromaticContact CE2-CZ3 3.87Å; Y83-W191 HydrophobicContact CE2-CZ3 3.87Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.29Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.22Å; Y83-Y195 PolarHBondContact OH-OH 3.32Å
84	W	97.6	Very high	96.6	Very high	39 Å²	39	67.6 Å²	67.6	15%	0.148	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-39.6	-177.2	-67.2	109.5	0	0	0	113.2	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.85Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.83Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.29Å; V76-W84 HydrophobicContact CG1-CH2 4.11Å; V76-W84 HydrophobicContact CG1-CZ2 4.32Å; V76-W84 HydrophobicContact CG2-CH2 3.96Å; V76-W84 HydrophobicContact CG2-CZ2 3.95Å; V76-W84 WeakPolarHBondContact O-CZ2 3.28Å; E79-W84 VanDerWaalsContact O-CD1 3.23Å; E79-W84 PolarHBondContact O-NE1 2.83Å; G80-W84 PolarHBondContact O-N 2.94Å; P81-W84 PolarHBondContact O-N 2.84Å; P81-W84 VanDerWaalsContact O-N 3.13Å; W84-T88 WeakPolarHBondContact O-CB 3.23Å; W84-T88 PolarHBondContact O-N 3.19Å; W84-T88 PolarHBondContact O-OG1 3.46Å
85	D	97.6	Very high	96.7	Very high	108 Å²	108	64 Å²	64	58%	0.578	31%	0.308	S	S	*	.	H	α-helix	trans	-64.1	-47.3	173.5	-78.4	-27.5	0	0	0	111.1	P81 Y83 T88 Q89	P81-D85 PolarHBondContact O-N 2.86Å; Y83-D85 PolarHBondContact O-N 2.81Å; D85-T88 PolarHBondContact O-N 2.82Å; D85-Q89 WeakPolarHBondContact O-CB 3.37Å; D85-Q89 VanDerWaalsContact O-CG 3.26Å; D85-Q89 WeakPolarHBondContact O-CG 3.46Å; D85-Q89 PolarHBondContact O-N 2.94Å
86	R	97.1	Very high	96.8	Very high	98 Å²	98	68.2 Å²	68.2	37%	0.37	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-44.7	179.8	-175.5	-173.4	67.5	-140.7	-4.9	112.3	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.21Å; E82-R86 PolarHBondContact O-N 3.28Å; E82-R86 VanDerWaalsContact O-N 3.11Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.33Å; Y83-R86 PolarHBondContact O-N 2.83Å; R86-Q89 PolarHBondContact O-N 2.72Å; R86-K90 WeakPolarHBondContact O-CG 3.47Å; R86-K90 PolarHBondContact O-N 3.38Å
87	E	97.1	Very high	96.9	Very high	11 Å²	11	70.1 Å²	70.1	5%	0.051	34%	0.344	C	S	.	.	H	α-helix	trans	-67.9	-41.9	177.4	-58.9	-39.7	117.4	0	0	111	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.38Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 4.04Å; Y83-E87 HydrophobicContact CE2-CG 3.7Å; Y83-E87 HydrophobicContact CG-CG 4.38Å; Y83-E87 WeakPolarHBondContact O-CG 3.38Å; Y83-E87 PolarHBondContact O-N 3.48Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.71Å; E87-K90 WeakPolarHBondContact O-CB 3.34Å; E87-K90 PolarHBondContact O-N 3Å; E87-K90 IonicContact OE1-NZ 2.84Å; E87-K90 PolarHBondContact OE1-NZ 2.99Å; E87-K90 WeakPolarHBondContact OE2-CD 3.44Å; E87-K90 WeakPolarHBondContact OE2-CE 3.33Å; E87-K90 IonicContact OE2-NZ 2.82Å; E87-K90 PolarHBondContact OE2-NZ 2.95Å; E87-Y91 HydrophobicContact CB-CE2 4.11Å; E87-Y91 WeakPolarHBondContact O-CD2 3.39Å; E87-Y91 PolarHBondContact O-N 3.4Å
88	T	98.1	Very high	97	Very high	10 Å²	10	64.5 Å²	64.5	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-54.7	-44.3	171.5	-64.9	0	0	0	0	112.2	R68 G69 W84 D85 K90 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.26Å; G69-T88 PolarHBondContact N-OG1 3.34Å; W84-T88 WeakPolarHBondContact O-CB 3.23Å; W84-T88 PolarHBondContact O-N 3.19Å; W84-T88 PolarHBondContact O-OG1 3.46Å; D85-T88 PolarHBondContact O-N 2.82Å; T88-K90 VanDerWaalsContact C-N 3.34Å; T88-K90 PolarHBondContact O-N 3.34Å; T88-Y91 PolarHBondContact O-N 2.99Å; T88-K92 HydrophobicContact CG2-CD 4.05Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 2.87Å
89	Q	98.1	Very high	97.2	Very high	102 Å²	102	61.5 Å²	61.5	48%	0.477	30%	0.301	S	S	.	.	H	α-helix	trans	-72.5	-23	177.6	-67	-62.4	-13.5	0	0	113.4	D85 R86 E87 R93	D85-Q89 WeakPolarHBondContact O-CB 3.37Å; D85-Q89 VanDerWaalsContact O-CG 3.26Å; D85-Q89 WeakPolarHBondContact O-CG 3.46Å; D85-Q89 PolarHBondContact O-N 2.94Å; R86-Q89 PolarHBondContact O-N 2.72Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.71Å; Q89-R93 WeakPolarHBondContact O-CB 3.34Å; Q89-R93 VanDerWaalsContact O-CG 3.32Å; Q89-R93 WeakPolarHBondContact O-CG 3.39Å; Q89-R93 PolarHBondContact O-N 2.94Å; Q89-R93 PolarHBondContact O-NE 2.94Å
90	K	97.3	Very high	97.2	Very high	76 Å²	76	63.9 Å²	63.9	33%	0.33	32%	0.317	S	S	.	.	H	α-helix	trans	-71.6	-48.2	168.4	-72.9	167.4	-180	173	0	110.7	R86 E87 T88 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.47Å; R86-K90 PolarHBondContact O-N 3.38Å; E87-K90 WeakPolarHBondContact O-CB 3.34Å; E87-K90 PolarHBondContact O-N 3Å; E87-K90 IonicContact OE1-NZ 2.84Å; E87-K90 PolarHBondContact OE1-NZ 2.99Å; E87-K90 WeakPolarHBondContact OE2-CD 3.44Å; E87-K90 WeakPolarHBondContact OE2-CE 3.33Å; E87-K90 IonicContact OE2-NZ 2.82Å; E87-K90 PolarHBondContact OE2-NZ 2.95Å; T88-K90 VanDerWaalsContact C-N 3.34Å; T88-K90 PolarHBondContact O-N 3.34Å; K90-K92 PolarHBondContact O-N 2.94Å; K90-R93 PolarHBondContact O-N 3.33Å; K90-Q94 PolarHBondContact O-N 3.31Å
91	Y	98.3	Very high	97.4	Very high	18 Å²	18	64.3 Å²	64.3	7%	0.071	31%	0.31	C	S	.	.	H	α-helix	trans	-58.8	-45.7	177.9	-63.9	-52.8	0	0	0	111.9	F46 A48 F60 E87 T88 R93 Q94 A95	F46-Y91 HydrophobicContact CE1-CD1 4.24Å; A48-Y91 HydrophobicContact CB-CD1 3.68Å; A48-Y91 HydrophobicContact CB-CE1 3.64Å; F60-Y91 HydrophobicContact CB-CD1 4.16Å; F60-Y91 HydrophobicContact CB-CD2 3.64Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.72Å; F60-Y91 HydrophobicContact CD1-CG 4.38Å; F60-Y91 AromaticContact CD2-CD2 3.66Å; F60-Y91 HydrophobicContact CD2-CD2 3.66Å; F60-Y91 AromaticContact CD2-CG 3.84Å; F60-Y91 HydrophobicContact CD2-CG 3.84Å; F60-Y91 HydrophobicContact CG-CD1 4.48Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.72Å; F60-Y91 HydrophobicContact CG-CG 3.72Å; E87-Y91 HydrophobicContact CB-CE2 4.11Å; E87-Y91 WeakPolarHBondContact O-CD2 3.39Å; E87-Y91 PolarHBondContact O-N 3.4Å; T88-Y91 PolarHBondContact O-N 2.99Å; Y91-R93 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 3.42Å; Y91-Q94 PolarHBondContact O-N 3.46Å; Y91-A95 WeakPolarHBondContact O-CB 3.32Å; Y91-A95 PolarHBondContact O-N 3.49Å
92	K	98	Very high	97.4	Very high	80 Å²	80	59.9 Å²	59.9	35%	0.348	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-38.3	176.1	-72.8	176.2	179.4	171.8	0	113	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.24Å; F60-K92 HydrophobicContact CZ-CG 4Å; P67-K92 WeakPolarHBondContact O-CE 3.38Å; P67-K92 PolarHBondContact O-NZ 2.89Å; T88-K92 HydrophobicContact CG2-CD 4.05Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 2.87Å; K90-K92 PolarHBondContact O-N 2.94Å; K92-Q96 WeakPolarHBondContact O-CG 3.31Å; K92-Q96 PolarHBondContact O-N 3.35Å
93	R	98	Very high	97.3	Very high	163 Å²	163	58.2 Å²	58.2	62%	0.615	27%	0.268	S	S	*	.	H	α-helix	trans	-69.2	-41	174.3	-78.6	-179.2	-73	173.4	-5.1	112.4	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.34Å; Q89-R93 VanDerWaalsContact O-CG 3.32Å; Q89-R93 WeakPolarHBondContact O-CG 3.39Å; Q89-R93 PolarHBondContact O-N 2.94Å; Q89-R93 PolarHBondContact O-NE 2.94Å; K90-R93 PolarHBondContact O-N 3.33Å; Y91-R93 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 3.42Å; R93-Q96 PolarHBondContact O-N 2.91Å; R93-A97 PolarHBondContact O-N 3.4Å
94	Q	98	Very high	97.3	Very high	42 Å²	42	62.6 Å²	62.6	20%	0.196	29%	0.287	C	S	.	.	H	α-helix	trans	-63.6	-44.8	176.6	-172.7	64.4	58	0	0	111.1	F46 K90 Y91 Q96 A97 D98	F46-Q94 HydrophobicContact CE2-CB 4.11Å; F46-Q94 HydrophobicContact CE2-CG 3.6Å; F46-Q94 HydrophobicContact CZ-CB 3.92Å; F46-Q94 HydrophobicContact CZ-CG 3.74Å; K90-Q94 PolarHBondContact O-N 3.31Å; Y91-Q94 PolarHBondContact O-N 3.46Å; Q94-Q96 VanDerWaalsContact C-N 3.33Å; Q94-Q96 PolarHBondContact O-N 2.95Å; Q94-A97 WeakPolarHBondContact O-CA 3.2Å; Q94-A97 WeakPolarHBondContact O-CB 3.35Å; Q94-A97 PolarHBondContact O-N 3.41Å; Q94-D98 WeakPolarHBondContact CG-OD2 3.39Å; Q94-D98 PolarHBondContact NE2-OD1 3.36Å; Q94-D98 PolarHBondContact NE2-OD2 3.02Å; Q94-D98 PolarHBondContact O-N 2.94Å
95	A	97.8	Very high	97.3	Very high	17 Å²	17	61.1 Å²	61.1	14%	0.14	28%	0.282	C	S	.	.	H	α-helix	trans	-56.3	-42.3	175.3	0	0	0	0	0	113.1	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.63Å; F46-A95 HydrophobicContact CD1-CB 3.86Å; F46-A95 HydrophobicContact CD2-CB 4.05Å; F46-A95 HydrophobicContact CG-CB 3.57Å; Y91-A95 WeakPolarHBondContact O-CB 3.32Å; Y91-A95 PolarHBondContact O-N 3.49Å; A95-R99 VanDerWaalsContact O-CB 3.29Å; A95-R99 WeakPolarHBondContact O-CB 3.5Å; A95-R99 PolarHBondContact O-N 3.34Å
96	Q	97.2	Very high	97.2	Very high	103 Å²	103	58.9 Å²	58.9	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-70.5	-34.5	175.3	-65.8	-59.9	-32.2	0	0	112.7	K92 R93 Q94 V100	K92-Q96 WeakPolarHBondContact O-CG 3.31Å; K92-Q96 PolarHBondContact O-N 3.35Å; R93-Q96 PolarHBondContact O-N 2.91Å; Q94-Q96 VanDerWaalsContact C-N 3.33Å; Q94-Q96 PolarHBondContact O-N 2.95Å; Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 2.87Å
97	A	97.3	Very high	97.2	Very high	41 Å²	41	56.3 Å²	56.3	34%	0.339	27%	0.269	S	S	.	.	H	α-helix	trans	-64.8	-45.4	173.4	0	0	0	0	0	111.2	R93 Q94 V100 N101	R93-A97 PolarHBondContact O-N 3.4Å; Q94-A97 WeakPolarHBondContact O-CA 3.2Å; Q94-A97 WeakPolarHBondContact O-CB 3.35Å; Q94-A97 PolarHBondContact O-N 3.41Å; A97-V100 CarbonylContact O-C 3.55Å; A97-V100 WeakPolarHBondContact O-CA 3.49Å; A97-V100 WeakPolarHBondContact O-CB 3.46Å; A97-V100 PolarHBondContact O-N 3.29Å; A97-V100 VanDerWaalsContact O-N 3.08Å; A97-N101 PolarHBondContact O-N 3.35Å; A97-N101 PolarHBondContact O-ND2 3.35Å
98	D	97.6	Very high	97.2	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.011	28%	0.278	C	S	.	.	H	α-helix	trans	-70.8	-35.4	-177.5	-68.1	-22.7	0	0	0	112.3	S35 Q94 V100 N101 L102 L119	S35-D98 WeakPolarHBondContact OG-CB 3.34Å; Q94-D98 WeakPolarHBondContact CG-OD2 3.39Å; Q94-D98 PolarHBondContact NE2-OD1 3.36Å; Q94-D98 PolarHBondContact NE2-OD2 3.02Å; Q94-D98 PolarHBondContact O-N 2.94Å; D98-V100 VanDerWaalsContact C-N 3.28Å; D98-V100 PolarHBondContact O-N 3.2Å; D98-N101 PolarHBondContact O-N 2.74Å; D98-N101 VanDerWaalsContact O-N 3.15Å; D98-N101 PolarHBondContact OD1-ND2 2.96Å; D98-L102 WeakPolarHBondContact O-CB 3.25Å; D98-L102 WeakPolarHBondContact O-CG 3.49Å; D98-L102 PolarHBondContact O-N 3.39Å; D98-L119 HydrophobicContact CB-CD2 4.01Å
99	R	96.1	Very high	97.2	Very high	64 Å²	64	61.4 Å²	61.4	24%	0.242	29%	0.288	C	S	.	.	H	α-helix	trans	-53.4	-42.7	165.4	175.4	-169.6	-176.9	-151.3	-0	112.7	E43 P44 A95 R103	E43-R99 VanDerWaalsContact CD-CZ 3.47Å; E43-R99 VanDerWaalsContact CD-NH2 3.27Å; E43-R99 IonicContact OE1-CZ 3.8Å; E43-R99 VanDerWaalsContact OE1-CZ 3.28Å; E43-R99 IonicContact OE1-NE 3.74Å; E43-R99 PolarHBondContact OE1-NE 3.42Å; E43-R99 IonicContact OE1-NH2 3.51Å; E43-R99 PolarHBondContact OE1-NH2 2.94Å; E43-R99 WeakPolarHBondContact OE2-CD 3.38Å; E43-R99 IonicContact OE2-CZ 3.04Å; E43-R99 IonicContact OE2-NE 2.77Å; E43-R99 PolarHBondContact OE2-NE 3.38Å; E43-R99 IonicContact OE2-NH2 3.35Å; E43-R99 PolarHBondContact OE2-NH2 2.86Å; P44-R99 HydrophobicContact CG-CB 4.39Å; P44-R99 HydrophobicContact CG-CG 4.3Å; A95-R99 VanDerWaalsContact O-CB 3.29Å; A95-R99 WeakPolarHBondContact O-CB 3.5Å; A95-R99 PolarHBondContact O-N 3.34Å; R99-R103 VanDerWaalsContact NE-NH2 3.15Å
100	V	96.5	Very high	97.1	Very high	62 Å²	62	63.7 Å²	63.7	38%	0.376	30%	0.303	S	S	.	.	H	α-helix	trans	-74.2	-36.6	176.6	171.1	0	0	0	0	111.4	Q96 A97 D98 R103 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 2.87Å; A97-V100 CarbonylContact O-C 3.55Å; A97-V100 WeakPolarHBondContact O-CA 3.49Å; A97-V100 WeakPolarHBondContact O-CB 3.46Å; A97-V100 PolarHBondContact O-N 3.29Å; A97-V100 VanDerWaalsContact O-N 3.08Å; D98-V100 VanDerWaalsContact C-N 3.28Å; D98-V100 PolarHBondContact O-N 3.2Å; V100-R103 PolarHBondContact O-N 3.49Å; V100-K104 HydrophobicContact CG1-CD 4.32Å; V100-K104 WeakPolarHBondContact O-CG 3.43Å; V100-K104 PolarHBondContact O-N 2.96Å
101	N	97.3	Very high	97	Very high	45 Å²	45	63 Å²	63	24%	0.241	30%	0.301	C	S	.	.	H	α-helix	trans	-67.4	-43.4	178.8	-65.7	-28.5	0	0	0	111.7	A97 D98 R103 K104 L105 L119	A97-N101 PolarHBondContact O-N 3.35Å; A97-N101 PolarHBondContact O-ND2 3.35Å; D98-N101 PolarHBondContact O-N 2.74Å; D98-N101 VanDerWaalsContact O-N 3.15Å; D98-N101 PolarHBondContact OD1-ND2 2.96Å; N101-R103 VanDerWaalsContact C-N 3.31Å; N101-R103 PolarHBondContact O-N 2.71Å; N101-K104 WeakPolarHBondContact O-CA 3.44Å; N101-K104 WeakPolarHBondContact O-CB 3.34Å; N101-K104 PolarHBondContact O-N 3.46Å; N101-L105 WeakPolarHBondContact O-CB 3.45Å; N101-L105 VanDerWaalsContact O-CG 3.28Å; N101-L105 WeakPolarHBondContact O-CG 3.48Å; N101-L105 PolarHBondContact O-N 3.27Å; N101-L119 HydrophobicContact CB-CD2 3.69Å
102	L	97.1	Very high	96.7	Very high	7 Å²	7	65.8 Å²	65.8	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-53.5	-44.8	174.5	-78.7	166.1	0	0	0	112.2	P44 D98 K104 L105 R106 H117 L119 Y142	P44-L102 HydrophobicContact CB-CD1 3.66Å; P44-L102 HydrophobicContact CG-CD1 3.85Å; D98-L102 WeakPolarHBondContact O-CB 3.25Å; D98-L102 WeakPolarHBondContact O-CG 3.49Å; D98-L102 PolarHBondContact O-N 3.39Å; L102-K104 PolarHBondContact O-N 3.17Å; L102-L105 PolarHBondContact O-N 3.19Å; L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.01Å; L102-H117 HydrophobicContact CD2-CB 4.17Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.03Å; L102-L119 HydrophobicContact CG-CD2 4.49Å; L102-Y142 HydrophobicContact CD2-CE2 3.95Å
103	R	94.8	Very high	96.2	Very high	128 Å²	128	68.1 Å²	68.1	48%	0.483	34%	0.335	S	S	.	.	H	α-helix	trans	-64.1	-38.2	175.4	-63.8	177.5	-168.5	158.6	1.2	112.9	E43 R99 V100 N101 G107	E43-R103 IonicContact OE2-NH2 3.72Å; R99-R103 VanDerWaalsContact NE-NH2 3.15Å; V100-R103 PolarHBondContact O-N 3.49Å; N101-R103 VanDerWaalsContact C-N 3.31Å; N101-R103 PolarHBondContact O-N 2.71Å; R103-G107 PolarHBondContact O-N 2.89Å
104	K	96.3	Very high	95.7	Very high	99 Å²	99	67.1 Å²	67.1	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-68.1	-45.7	177.2	-71.1	169.9	-178	166.5	0	111.4	V100 N101 L102 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.32Å; V100-K104 WeakPolarHBondContact O-CG 3.43Å; V100-K104 PolarHBondContact O-N 2.96Å; N101-K104 WeakPolarHBondContact O-CA 3.44Å; N101-K104 WeakPolarHBondContact O-CB 3.34Å; N101-K104 PolarHBondContact O-N 3.46Å; L102-K104 PolarHBondContact O-N 3.17Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 WeakPolarHBondContact O-CA 3.38Å; K104-G107 PolarHBondContact O-N 2.96Å; K104-G107 VanDerWaalsContact O-N 3.15Å; K104-Y108 VanDerWaalsContact O-CD1 3.27Å; K104-Y108 WeakPolarHBondContact O-CD1 3.41Å; K104-Y108 PolarHBondContact O-N 3.02Å
105	L	97.6	Very high	95.3	Very high	7 Å²	7	66 Å²	66	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-60.7	-51.2	179.3	-69.1	165	0	0	0	110.5	N101 L102 G107 Y108 Y109 L119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.45Å; N101-L105 VanDerWaalsContact O-CG 3.28Å; N101-L105 WeakPolarHBondContact O-CG 3.48Å; N101-L105 PolarHBondContact O-N 3.27Å; L102-L105 PolarHBondContact O-N 3.19Å; L105-G107 PolarHBondContact O-N 3.22Å; L105-G107 VanDerWaalsContact O-N 3.13Å; L105-Y108 PolarHBondContact O-N 3.37Å; L105-Y109 HydrophobicContact CD2-CE2 4.35Å; L105-Y109 VanDerWaalsContact O-CD2 3.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.41Å; L105-Y109 PolarHBondContact O-N 2.92Å; L105-L119 HydrophobicContact CD1-CD1 3.84Å; L105-L119 HydrophobicContact CD1-CD2 4.15Å; L105-L119 HydrophobicContact CD1-CG 4.44Å; L105-Y142 HydrophobicContact CB-CD1 4.24Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 3.85Å; L105-Y142 HydrophobicContact CB-CE2 3.88Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.66Å; L105-Y142 HydrophobicContact CD1-CE2 3.97Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CG-CD2 4.47Å; L105-Y147 HydrophobicContact CD2-CD1 4.35Å; L105-Y147 HydrophobicContact CD2-CD2 4.05Å; L105-Y147 HydrophobicContact CD2-CE1 3.79Å; L105-Y147 HydrophobicContact CD2-CE2 3.42Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.42Å; L105-Y147 HydrophobicContact CD2-CG 4.48Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.49Å
106	R	95.8	Very high	95.2	Very high	62 Å²	62	68.2 Å²	68.2	23%	0.234	36%	0.356	C	S	.	.	H	α-helix	trans	-49.9	-40.9	172.6	-168.5	-170	66.9	170	8.5	112.4	L102 N110 Q111 S112 E113	L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.01Å; R106-N110 PolarHBondContact O-N 2.93Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 PolarHBondContact O-N 2.9Å; R106-S112 WeakPolarHBondContact CD-O 3.43Å; R106-E113 IonicContact CZ-OE1 3.14Å; R106-E113 IonicContact NH1-OE1 2.76Å; R106-E113 PolarHBondContact NH1-OE1 2.8Å; R106-E113 IonicContact NH2-OE1 2.73Å; R106-E113 PolarHBondContact NH2-OE1 3.44Å
107	G	96.1	Very high	95.2	Very high	44 Å²	44	64 Å²	64	45%	0.454	34%	0.336	S	S	.	.	H	α-helix	trans	-69.8	-38.7	174.2	0	0	0	0	0	114.6	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.89Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 WeakPolarHBondContact O-CA 3.38Å; K104-G107 PolarHBondContact O-N 2.96Å; K104-G107 VanDerWaalsContact O-N 3.15Å; L105-G107 PolarHBondContact O-N 3.22Å; L105-G107 VanDerWaalsContact O-N 3.13Å; G107-Y109 VanDerWaalsContact C-N 3.32Å; G107-N110 PolarHBondContact O-N 3.26Å
108	Y	97.7	Very high	95.3	Very high	62 Å²	62	63.8 Å²	63.8	24%	0.243	33%	0.331	C	S	.	.	H	α-helix	trans	-69.1	-31.8	178.3	-62.5	-9.5	0	0	0	112.3	K104 L105 I166 K170	K104-Y108 VanDerWaalsContact O-CD1 3.27Å; K104-Y108 WeakPolarHBondContact O-CD1 3.41Å; K104-Y108 PolarHBondContact O-N 3.02Å; L105-Y108 PolarHBondContact O-N 3.37Å; Y108-I166 HydrophobicContact CD1-CD1 4.31Å; Y108-I166 HydrophobicContact CD2-CB 4.37Å; Y108-I166 HydrophobicContact CD2-CD1 4.35Å; Y108-I166 HydrophobicContact CD2-CG2 4.5Å; Y108-I166 HydrophobicContact CE1-CG2 4.35Å; Y108-I166 HydrophobicContact CE2-CB 4.17Å; Y108-I166 HydrophobicContact CE2-CG2 3.92Å; Y108-I166 HydrophobicContact CG-CD1 4.15Å; Y108-K170 PolarHBondContact OH-NZ 3.04Å
109	Y	97.5	Very high	95.3	Very high	66 Å²	66	63.9 Å²	63.9	26%	0.259	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	2.1	176.7	-67.9	-71.7	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.35Å; L105-Y109 VanDerWaalsContact O-CD2 3.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.41Å; L105-Y109 PolarHBondContact O-N 2.92Å; G107-Y109 VanDerWaalsContact C-N 3.32Å; Y109-Q111 PolarHBondContact O-N 3.4Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.48Å; Y109-Y142 HydrophobicContact CD2-CE1 3.48Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y142 AromaticContact CE2-CD1 3.46Å; Y109-Y142 HydrophobicContact CE2-CD1 3.46Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.46Å; Y109-Y142 AromaticContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.29Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.43Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.38Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.49Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.27Å; Y109-D161 PolarHBondContact OH-OD1 3.12Å; Y109-D161 PolarHBondContact OH-OD2 3.17Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 3.93Å
110	N	96.3	Very high	95.5	Very high	150 Å²	150	64.6 Å²	64.6	80%	0.802	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	37.7	-177	-54.5	-68.1	0	0	0	113.9	R106 G107	R106-N110 PolarHBondContact O-N 2.93Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 3.26Å
111	Q	95.9	Very high	95.6	Very high	61 Å²	61	62.4 Å²	62.4	29%	0.285	32%	0.323	S	S	.	.			trans	-82.4	154	-178.3	-70.1	162.4	-46.3	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 PolarHBondContact O-N 2.9Å; Y109-Q111 PolarHBondContact O-N 3.4Å; Q111-H117 PolarHBondContact NE2-CE1 3.28Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.26Å; Q111-H117 PolarHBondContact OE1-CE1 3.48Å; Q111-Y142 PolarHBondContact OE1-OH 3.47Å; Q111-D143 PolarHBondContact NE2-OD2 3.39Å
112	S	92.6	Very high	95.6	Very high	76 Å²	76	61.4 Å²	61.4	53%	0.531	32%	0.317	S	S	.	.			trans	-70.4	158	-179.2	59	0	0	0	0	112.8	R106 D114 G115	R106-S112 WeakPolarHBondContact CD-O 3.43Å; S112-D114 VanDerWaalsContact C-N 3.31Å; S112-D114 PolarHBondContact O-N 3.31Å; S112-G115 PolarHBondContact O-N 2.93Å
113	E	87.2	Confident	95.7	Very high	130 Å²	130	62.5 Å²	62.5	61%	0.607	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.9	179.2	-59.6	-142.4	103.9	0	0	113.8	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.5Å; P39-E113 WeakPolarHBondContact CG-O 3.4Å; R106-E113 IonicContact CZ-OE1 3.14Å; R106-E113 IonicContact NH1-OE1 2.76Å; R106-E113 PolarHBondContact NH1-OE1 2.8Å; R106-E113 IonicContact NH2-OE1 2.73Å; R106-E113 PolarHBondContact NH2-OE1 3.44Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 2.88Å
114	D	87.3	Confident	95.9	Very high	142 Å²	142	56.4 Å²	56.4	76%	0.759	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.2	-179.8	-51.5	-56.9	0	0	0	113.4	S112	S112-D114 VanDerWaalsContact C-N 3.31Å; S112-D114 PolarHBondContact O-N 3.31Å
115	G	90.4	Very high	96	Very high	17 Å²	17	51.7 Å²	51.7	18%	0.175	28%	0.278	C	S	.	.			trans	-72.2	130	176.9	0	0	0	0	0	113.3	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.2Å; S112-G115 PolarHBondContact O-N 2.93Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 2.88Å; G115-H117 PolarHBondContact O-CD2 3.26Å
116	S	95.3	Very high	96	Very high	65 Å²	65	52.7 Å²	52.7	46%	0.455	28%	0.283	S	S	.	.			trans	-77.6	133.8	161.9	-177.1	0	0	0	0	109	S37	S37-S116 WeakPolarHBondContact O-CA 3.27Å; S37-S116 PolarHBondContact O-OG 2.7Å; S37-S116 VanDerWaalsContact O-OG 3.1Å
117	H	97.3	Very high	96	Very high	13 Å²	13	50 Å²	50	6%	0.06	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.6	-175.4	-65.4	-72.6	0	0	0	111.1	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 CarbonylContact C-O 3.53Å; V36-H117 WeakPolarHBondContact CA-O 3.3Å; S37-H117 PolarHBondContact N-O 2.86Å; S37-H117 PolarHBondContact O-N 3.45Å; S37-H117 PolarHBondContact OG-N 3.34Å; S37-H117 PolarHBondContact OG-O 3.44Å; L102-H117 HydrophobicContact CD2-CB 4.17Å; Q111-H117 PolarHBondContact NE2-CE1 3.28Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.26Å; Q111-H117 PolarHBondContact OE1-CE1 3.48Å; G115-H117 PolarHBondContact O-CD2 3.26Å; H117-Y142 HydrophobicContact CB-CE2 3.87Å; H117-Y142 VanDerWaalsContact CG-OH 3.24Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.95Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 WeakPolarHBondContact CB-OD1 3.5Å; H117-D143 IonicContact CE1-OD2 2.74Å; H117-D143 IonicContact CG-OD1 2.74Å; H117-D143 IonicContact CG-OD2 2.71Å; H117-D143 IonicContact ND1-OD1 2.74Å; H117-D143 IonicContact ND1-OD2 2.8Å; H117-D143 PolarHBondContact ND1-OD2 2.94Å
118	T	98.4	Very high	95.9	Very high	37 Å²	37	48 Å²	48	23%	0.227	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.9	-175.4	-59.8	0	0	0	0	110.7	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.89Å; S35-T118 CarbonylContact O-C 3.51Å; S35-T118 WeakPolarHBondContact O-CA 3.48Å; V36-T118 HydrophobicContact CG2-CG2 4.3Å; T118-Q120 HydrophobicContact CG2-CG 3.99Å; T118-Y142 CarbonylContact O-C 3.57Å; T118-Y142 WeakPolarHBondContact O-CA 3.27Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.34Å; T118-D143 PolarHBondContact N-OD1 3.13Å; T118-D143 PolarHBondContact O-N 3.21Å
119	L	98.7	Very high	95.5	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121	170.6	175.7	59.5	0	0	0	108.6	T34 S35 D98 N101 L102 L105 F140	T34-L119 WeakPolarHBondContact CA-O 3.42Å; S35-L119 PolarHBondContact N-O 3.37Å; S35-L119 PolarHBondContact O-N 2.96Å; D98-L119 HydrophobicContact CB-CD2 4.01Å; N101-L119 HydrophobicContact CB-CD2 3.69Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.03Å; L102-L119 HydrophobicContact CG-CD2 4.49Å; L105-L119 HydrophobicContact CD1-CD1 3.84Å; L105-L119 HydrophobicContact CD1-CD2 4.15Å; L105-L119 HydrophobicContact CD1-CG 4.44Å; L119-F140 HydrophobicContact CD1-CD1 4.16Å
120	Q	98.8	Very high	95.1	Very high	78 Å²	78	51 Å²	51	36%	0.364	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.7	176.7	-72.9	166.5	-80.7	0	0	110.1	S33 T34 T118 F140 A141	S33-Q120 CarbonylContact O-C 3.57Å; S33-Q120 WeakPolarHBondContact O-CA 3.34Å; T34-Q120 HydrophobicContact CG2-CG 3.96Å; T118-Q120 HydrophobicContact CG2-CG 3.99Å; Q120-F140 CarbonylContact O-C 3.56Å; Q120-F140 VanDerWaalsContact O-CA 3.24Å; Q120-F140 WeakPolarHBondContact O-CA 3.48Å; Q120-A141 HydrophobicContact CB-CB 4.31Å; Q120-A141 PolarHBondContact N-O 3.21Å; Q120-A141 PolarHBondContact O-N 2.98Å
121	R	98.6	Very high	94.7	Very high	17 Å²	17	44.8 Å²	44.8	6%	0.064	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.8	172.7	-174.7	-170.8	178.6	-139.2	-19.4	109.5	F32 S33 F123 N138 Q139 F140	F32-R121 WeakPolarHBondContact CA-O 3.38Å; S33-R121 PolarHBondContact N-O 2.89Å; S33-R121 PolarHBondContact O-N 2.91Å; R121-F123 HydrophobicContact CG-CD1 4.36Å; R121-F123 VanDerWaalsContact NH2-CD1 3.31Å; R121-N138 VanDerWaalsContact CZ-OD1 3.32Å; R121-N138 PolarHBondContact NE-OD1 3.38Å; R121-N138 PolarHBondContact NH2-OD1 2.89Å; R121-Q139 WeakPolarHBondContact CA-O 3.3Å; R121-F140 HydrophobicContact CB-CD1 3.8Å; R121-F140 HydrophobicContact CB-CE1 3.83Å; R121-F140 HydrophobicContact CB-CG 4.39Å; R121-F140 HydrophobicContact CB-CZ 4.39Å; R121-F140 VanDerWaalsContact CD-CE1 3.45Å; R121-F140 HydrophobicContact CG-CD1 3.85Å; R121-F140 HydrophobicContact CG-CD2 4.23Å; R121-F140 HydrophobicContact CG-CE1 3.57Å; R121-F140 HydrophobicContact CG-CE2 3.93Å; R121-F140 HydrophobicContact CG-CG 4.19Å; R121-F140 HydrophobicContact CG-CZ 3.62Å
122	M	98.6	Very high	94.6	Very high	23 Å²	23	49.8 Å²	49.8	11%	0.113	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.4	164.6	-174.6	-80.2	-79.7	0	0	108.8	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.27Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.63Å; F32-M122 HydrophobicContact CE1-CB 4.12Å; F32-M122 HydrophobicContact CE1-CG 3.41Å; F32-M122 VanDerWaalsContact CE1-CG 3.41Å; F32-M122 HydrophobicContact CG-CG 4.43Å; F32-M122 HydrophobicContact CZ-CG 4.03Å; M122-Y137 HydrophobicContact CE-CD1 3.83Å; M122-Y137 HydrophobicContact CE-CG 4.03Å; M122-Y137 HydrophobicContact SD-CG 4.4Å; M122-N138 WeakPolarHBondContact O-CA 3.1Å; M122-Q139 HydrophobicContact CB-CG 4.14Å; M122-Q139 HydrophobicContact CE-CG 4.21Å; M122-Q139 VanDerWaalsContact CE-OE1 3.28Å; M122-Q139 PolarHBondContact N-O 3.3Å; M122-Q139 PolarHBondContact O-N 3.38Å
123	F	98.6	Very high	94.8	Very high	31 Å²	31	48.6 Å²	48.6	14%	0.136	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	151.7	170.9	71.3	-82.1	0	0	0	111.1	Y31 R121 Y137 N138 Y183	Y31-F123 VanDerWaalsContact CB-CE1 3.47Å; Y31-F123 HydrophobicContact CD2-CD2 4.46Å; Y31-F123 AromaticContact CD2-CE2 3.77Å; Y31-F123 HydrophobicContact CD2-CE2 3.77Å; Y31-F123 AromaticContact CD2-CZ 3.9Å; Y31-F123 HydrophobicContact CD2-CZ 3.9Å; Y31-F123 HydrophobicContact CG-CE1 4.26Å; Y31-F123 HydrophobicContact CG-CE2 4.15Å; Y31-F123 AromaticContact CG-CZ 3.79Å; Y31-F123 HydrophobicContact CG-CZ 3.79Å; Y31-F123 PolarHBondContact N-O 3.4Å; Y31-F123 PolarHBondContact O-N 3.2Å; R121-F123 HydrophobicContact CG-CD1 4.36Å; R121-F123 VanDerWaalsContact NH2-CD1 3.31Å; F123-Y137 WeakPolarHBondContact CA-O 3.08Å; F123-Y137 WeakPolarHBondContact CB-O 3.31Å; F123-N138 HydrophobicContact CB-CB 4.16Å; F123-Y183 AromaticContact CD2-CE1 3.87Å; F123-Y183 HydrophobicContact CD2-CE1 3.87Å; F123-Y183 AromaticContact CE2-CE1 3.81Å; F123-Y183 HydrophobicContact CE2-CE1 3.81Å
124	G	98.5	Very high	95.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168	180	-173	0	0	0	0	0	113.6	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.16Å; G124-Y137 PolarHBondContact N-O 3.33Å; G124-Y137 PolarHBondContact O-N 2.81Å; G124-L184 WeakPolarHBondContact O-CD2 3.33Å
125	C	98.4	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.4	-179.3	52.5	0	0	0	0	110.8	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.39Å; M29-C125 PolarHBondContact N-O 3.4Å; M29-C125 PolarHBondContact O-N 3.38Å; C125-L133 HydrophobicContact CB-CD1 3.53Å; C125-R135 WeakPolarHBondContact CA-O 3.09Å; C125-C188 HydrophobicContact CB-CB 3.84Å; C125-C188 WeakPolarHBondContact CB-SG 3.46Å; C125-C188 PolarHBondContact N-SG 3.29Å; C125-C188 WeakPolarHBondContact SG-CB 3.4Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 2.73Å
126	D	97.9	Very high	96	Very high	28 Å²	28	45.3 Å²	45.3	15%	0.15	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137	175.8	-58.4	-0.5	0	0	0	108.8	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.41Å; S28-D126 VanDerWaalsContact CB-OD1 3.28Å; S28-D126 WeakPolarHBondContact CB-OD1 3.38Å; R30-D126 IonicContact CZ-OD1 3.54Å; R30-D126 VanDerWaalsContact CZ-OD1 3.24Å; R30-D126 IonicContact CZ-OD2 3.91Å; R30-D126 IonicContact NE-OD1 2.82Å; R30-D126 PolarHBondContact NE-OD1 3.45Å; R30-D126 IonicContact NH2-OD1 3.8Å; R30-D126 PolarHBondContact NH2-OD1 2.65Å; R30-D126 IonicContact NH2-OD2 2.83Å; R30-D126 PolarHBondContact NH2-OD2 3.11Å; D126-L134 PolarHBondContact O-N 3.24Å; D126-R135 HydrophobicContact CB-CB 4.47Å; D126-R135 PolarHBondContact N-O 2.83Å; D126-R135 PolarHBondContact O-N 3.11Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.3Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.45Å; D126-Y137 PolarHBondContact OD2-OH 3.29Å
127	L	96.7	Very high	96.2	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.2	177.3	-53.5	-177.7	0	0	0	110.4	S26 H27 R132 V189 L192 R193	S26-L127 WeakPolarHBondContact CA-O 3Å; H27-L127 PolarHBondContact N-O 3.32Å; H27-L127 PolarHBondContact O-N 3.23Å; L127-R132 VanDerWaalsContact CA-O 3.22Å; L127-R132 WeakPolarHBondContact CA-O 3.41Å; L127-V189 HydrophobicContact CD1-CG1 4.44Å; L127-V189 HydrophobicContact CD2-CB 4.23Å; L127-V189 HydrophobicContact CD2-CG1 3.82Å; L127-V189 HydrophobicContact CD2-CG2 3.9Å; L127-L192 HydrophobicContact CD1-CB 4.28Å; L127-L192 HydrophobicContact CD1-CD2 3.66Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.6Å; L127-L192 HydrophobicContact CG-CG 4.27Å; L127-R193 HydrophobicContact CD1-CG 3.95Å
128	G	93.4	Very high	96.2	Very high	4 Å²	4	43.7 Å²	43.7	4%	0.041	22%	0.218	C	C	.	.			trans	-81.7	177.5	169.9	0	0	0	0	0	111.9	D130 G131 R132 L134	G128-D130 PolarHBondContact O-N 3.06Å; G128-D130 VanDerWaalsContact O-N 3.12Å; G128-G131 WeakPolarHBondContact O-CA 3.34Å; G128-G131 PolarHBondContact O-N 3.15Å; G128-R132 PolarHBondContact N-O 2.91Å; G128-L134 VanDerWaalsContact CA-CD1 3.45Å
129	P	89.2	Confident	96.3	Very high	98 Å²	98	44.9 Å²	44.9	64%	0.636	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.3	177.7	-24.9	35.7	0	0	0	114.5	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.37Å; G25-P129 WeakPolarHBondContact O-CA 3.4Å; P129-G131 PolarHBondContact O-N 2.86Å
130	D	89.1	Confident	96.3	Very high	92 Å²	92	45.4 Å²	45.4	49%	0.492	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	4	171.3	78.2	-17	0	0	0	113.5	G128 R132	G128-D130 PolarHBondContact O-N 3.06Å; G128-D130 VanDerWaalsContact O-N 3.12Å; D130-R132 PolarHBondContact O-N 2.86Å; D130-R132 VanDerWaalsContact OD1-CB 3.27Å; D130-R132 WeakPolarHBondContact OD1-CB 3.49Å; D130-R132 WeakPolarHBondContact OD1-CG 3.36Å; D130-R132 PolarHBondContact OD1-N 3.42Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.45Å; D130-R132 IonicContact OD2-CZ 3.17Å; D130-R132 IonicContact OD2-NE 3.73Å; D130-R132 PolarHBondContact OD2-NE 3.27Å; D130-R132 IonicContact OD2-NH1 3.83Å; D130-R132 PolarHBondContact OD2-NH1 2.77Å
131	G	88.8	Confident	96.3	Very high	20 Å²	20	42.5 Å²	42.5	21%	0.206	21%	0.213	C	C	.	.	S	Bend	trans	69.4	9.3	-178	0	0	0	0	0	114.6	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.34Å; G128-G131 PolarHBondContact O-N 3.15Å; P129-G131 PolarHBondContact O-N 2.86Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 3.33Å; G131-R193 PolarHBondContact O-NH2 3.11Å
132	R	93.8	Very high	96.3	Very high	166 Å²	166	42.1 Å²	42.1	63%	0.626	21%	0.212	S	C	*	.			trans	-89.8	154.7	178.4	-60.2	-173.2	-174.3	134.4	-10.4	111.7	L127 G128 D130 L134	L127-R132 VanDerWaalsContact CA-O 3.22Å; L127-R132 WeakPolarHBondContact CA-O 3.41Å; G128-R132 PolarHBondContact N-O 2.91Å; D130-R132 PolarHBondContact O-N 2.86Å; D130-R132 VanDerWaalsContact OD1-CB 3.27Å; D130-R132 WeakPolarHBondContact OD1-CB 3.49Å; D130-R132 WeakPolarHBondContact OD1-CG 3.36Å; D130-R132 PolarHBondContact OD1-N 3.42Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.45Å; D130-R132 IonicContact OD2-CZ 3.17Å; D130-R132 IonicContact OD2-NE 3.73Å; D130-R132 PolarHBondContact OD2-NE 3.27Å; D130-R132 IonicContact OD2-NH1 3.83Å; D130-R132 PolarHBondContact OD2-NH1 2.77Å; R132-L134 PolarHBondContact O-N 3.33Å
133	L	96.6	Very high	96.2	Very high	50 Å²	50	44 Å²	44	26%	0.262	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	117.4	175.5	-175.1	75.4	0	0	0	110.5	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.53Å; L133-R135 VanDerWaalsContact CD1-O 3.3Å; L133-R135 WeakPolarHBondContact CD1-O 3.21Å; L133-L154 HydrophobicContact CD2-CD1 4.18Å; L133-E185 HydrophobicContact CD2-CB 4.47Å; L133-E185 HydrophobicContact CD2-CG 3.8Å; L133-V189 HydrophobicContact CB-CG2 4.08Å; L133-V189 HydrophobicContact CD1-CG2 4.15Å
134	L	96.1	Very high	96.2	Very high	122 Å²	122	45.3 Å²	45.3	64%	0.639	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	-46	166.1	-69.6	177.4	0	0	0	110.7	D126 G128 R132	D126-L134 PolarHBondContact O-N 3.24Å; G128-L134 VanDerWaalsContact CA-CD1 3.45Å; R132-L134 PolarHBondContact O-N 3.33Å
135	R	96.5	Very high	96.2	Very high	93 Å²	93	52.9 Å²	52.9	35%	0.351	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	143.7	-172.5	-169	163.1	170	135.6	10.6	112.2	C125 D126 L133 Y137 E152	C125-R135 WeakPolarHBondContact CA-O 3.09Å; D126-R135 HydrophobicContact CB-CB 4.47Å; D126-R135 PolarHBondContact N-O 2.83Å; D126-R135 PolarHBondContact O-N 3.11Å; L133-R135 VanDerWaalsContact CD1-O 3.3Å; L133-R135 WeakPolarHBondContact CD1-O 3.21Å; R135-Y137 HydrophobicContact CB-CE2 4.01Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 WeakPolarHBondContact CD-OH 3.21Å; R135-Y137 HydrophobicContact CG-CD2 4.31Å; R135-Y137 HydrophobicContact CG-CE1 4.38Å; R135-Y137 HydrophobicContact CG-CE2 3.64Å; R135-Y137 VanDerWaalsContact NE-CZ 3.34Å; R135-Y137 PolarHBondContact NE-OH 2.81Å; R135-E152 VanDerWaalsContact CZ-CD 3.43Å; R135-E152 IonicContact CZ-OE1 3.92Å; R135-E152 IonicContact NH1-OE1 3.71Å; R135-E152 PolarHBondContact NH1-OE1 3.04Å; R135-E152 IonicContact NH1-OE2 3.51Å; R135-E152 VanDerWaalsContact NH2-CD 3.35Å; R135-E152 IonicContact NH2-OE1 3.29Å; R135-E152 PolarHBondContact NH2-OE1 2.95Å
136	G	97.9	Very high	96.2	Very high	5 Å²	5	58.5 Å²	58.5	5%	0.052	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.3	172.1	0	0	0	0	0	111.1
137	Y	98.3	Very high	96.2	Very high	41 Å²	41	57.5 Å²	57.5	16%	0.161	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.1	-176.7	-60.7	-98.2	0	0	0	110.9	R30 M122 F123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CE2 3.28Å; R30-Y137 PolarHBondContact NH2-OH 2.65Å; M122-Y137 HydrophobicContact CE-CD1 3.83Å; M122-Y137 HydrophobicContact CE-CG 4.03Å; M122-Y137 HydrophobicContact SD-CG 4.4Å; F123-Y137 WeakPolarHBondContact CA-O 3.08Å; F123-Y137 WeakPolarHBondContact CB-O 3.31Å; G124-Y137 PolarHBondContact N-O 3.33Å; G124-Y137 PolarHBondContact O-N 2.81Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.3Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.45Å; D126-Y137 PolarHBondContact OD2-OH 3.29Å; R135-Y137 HydrophobicContact CB-CE2 4.01Å; R135-Y137 VanDerWaalsContact CD-CZ 3.49Å; R135-Y137 WeakPolarHBondContact CD-OH 3.21Å; R135-Y137 HydrophobicContact CG-CD2 4.31Å; R135-Y137 HydrophobicContact CG-CE1 4.38Å; R135-Y137 HydrophobicContact CG-CE2 3.64Å; R135-Y137 VanDerWaalsContact NE-CZ 3.34Å; R135-Y137 PolarHBondContact NE-OH 2.81Å
138	N	98.5	Very high	96.3	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.016	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	97.5	164.1	178.5	66.2	0	0	0	109.2	R121 M122 F123 L150 W157	R121-N138 VanDerWaalsContact CZ-OD1 3.32Å; R121-N138 PolarHBondContact NE-OD1 3.38Å; R121-N138 PolarHBondContact NH2-OD1 2.89Å; M122-N138 WeakPolarHBondContact O-CA 3.1Å; F123-N138 HydrophobicContact CB-CB 4.16Å; N138-L150 HydrophobicContact CB-CB 4.09Å; N138-L150 HydrophobicContact CB-CD2 4.17Å; N138-L150 WeakPolarHBondContact O-CB 3.36Å; N138-L150 PolarHBondContact O-N 2.6Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.42Å
139	Q	98.6	Very high	96.6	Very high	63 Å²	63	58.8 Å²	58.8	29%	0.294	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151	-175.2	65.8	-164.7	78.1	0	0	111.6	R121 M122 I148 A149	R121-Q139 WeakPolarHBondContact CA-O 3.3Å; M122-Q139 HydrophobicContact CB-CG 4.14Å; M122-Q139 HydrophobicContact CE-CG 4.21Å; M122-Q139 VanDerWaalsContact CE-OE1 3.28Å; M122-Q139 PolarHBondContact N-O 3.3Å; M122-Q139 PolarHBondContact O-N 3.38Å; Q139-I148 WeakPolarHBondContact CA-O 3.36Å; Q139-A149 HydrophobicContact CB-CB 3.89Å
140	F	98.8	Very high	97	Very high	15 Å²	15	54.8 Å²	54.8	7%	0.066	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.9	-179.7	-66.7	-106.4	0	0	0	110.1	L119 Q120 R121 Y147 I148 W171	L119-F140 HydrophobicContact CD1-CD1 4.16Å; Q120-F140 CarbonylContact O-C 3.56Å; Q120-F140 VanDerWaalsContact O-CA 3.24Å; Q120-F140 WeakPolarHBondContact O-CA 3.48Å; R121-F140 HydrophobicContact CB-CD1 3.8Å; R121-F140 HydrophobicContact CB-CE1 3.83Å; R121-F140 HydrophobicContact CB-CG 4.39Å; R121-F140 HydrophobicContact CB-CZ 4.39Å; R121-F140 VanDerWaalsContact CD-CE1 3.45Å; R121-F140 HydrophobicContact CG-CD1 3.85Å; R121-F140 HydrophobicContact CG-CD2 4.23Å; R121-F140 HydrophobicContact CG-CE1 3.57Å; R121-F140 HydrophobicContact CG-CE2 3.93Å; R121-F140 HydrophobicContact CG-CG 4.19Å; R121-F140 HydrophobicContact CG-CZ 3.62Å; F140-Y147 WeakPolarHBondContact O-CB 3.5Å; F140-Y147 PolarHBondContact O-N 3.44Å; F140-I148 HydrophobicContact CB-CG2 4.27Å; F140-I148 HydrophobicContact CD2-CG2 4.18Å; F140-I148 PolarHBondContact N-O 3.36Å; F140-I148 PolarHBondContact O-N 3.21Å; F140-W171 AromaticContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CZ3 4.26Å; F140-W171 AromaticContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CH2 3.45Å; F140-W171 VanDerWaalsContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CZ2 4.47Å; F140-W171 HydrophobicContact CE2-CZ3 4.04Å; F140-W171 AromaticContact CZ-CH2 3.87Å; F140-W171 HydrophobicContact CZ-CH2 3.87Å
141	A	98.8	Very high	97.5	Very high	17 Å²	17	52.4 Å²	52.4	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.4	172	0	0	0	0	0	110	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.31Å; Q120-A141 PolarHBondContact N-O 3.21Å; Q120-A141 PolarHBondContact O-N 2.98Å; A141-K145 CarbonylContact C-O 3.59Å; A141-K145 WeakPolarHBondContact CA-O 3.31Å; A141-K145 WeakPolarHBondContact CB-O 3.49Å
142	Y	98.7	Very high	97.9	Very high	10 Å²	10	58 Å²	58	4%	0.039	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.5	178.1	-174.5	-123.2	0	0	0	110	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 3.95Å; L105-Y142 HydrophobicContact CB-CD1 4.24Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 3.85Å; L105-Y142 HydrophobicContact CB-CE2 3.88Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.66Å; L105-Y142 HydrophobicContact CD1-CE2 3.97Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CG-CD2 4.47Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.48Å; Y109-Y142 HydrophobicContact CD2-CE1 3.48Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y142 AromaticContact CE2-CD1 3.46Å; Y109-Y142 HydrophobicContact CE2-CD1 3.46Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.46Å; Y109-Y142 AromaticContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CG-CE1 4.44Å; Q111-Y142 PolarHBondContact OE1-OH 3.47Å; H117-Y142 HydrophobicContact CB-CE2 3.87Å; H117-Y142 VanDerWaalsContact CG-OH 3.24Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.95Å; T118-Y142 CarbonylContact O-C 3.57Å; T118-Y142 WeakPolarHBondContact O-CA 3.27Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.34Å; Y142-G144 PolarHBondContact O-N 2.95Å; Y142-G144 VanDerWaalsContact O-N 3.15Å; Y142-K145 PolarHBondContact N-O 2.83Å; Y142-K145 PolarHBondContact O-N 3.34Å
143	D	97.9	Very high	98	Very high	62 Å²	62	53.7 Å²	53.7	33%	0.332	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	41.7	-174.4	-64	-20.8	0	0	0	113.1	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.39Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 WeakPolarHBondContact CB-OD1 3.5Å; H117-D143 IonicContact CE1-OD2 2.74Å; H117-D143 IonicContact CG-OD1 2.74Å; H117-D143 IonicContact CG-OD2 2.71Å; H117-D143 IonicContact ND1-OD1 2.74Å; H117-D143 IonicContact ND1-OD2 2.8Å; H117-D143 PolarHBondContact ND1-OD2 2.94Å; T118-D143 PolarHBondContact N-OD1 3.13Å; T118-D143 PolarHBondContact O-N 3.21Å; D143-K145 VanDerWaalsContact C-N 3.34Å; D143-K145 PolarHBondContact O-N 2.84Å
144	G	97.2	Very high	98.1	Very high	59 Å²	59	51.8 Å²	51.8	61%	0.608	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	7	178.3	0	0	0	0	0	115.9	Y142	Y142-G144 PolarHBondContact O-N 2.95Å; Y142-G144 VanDerWaalsContact O-N 3.15Å
145	K	98.4	Very high	98.2	Very high	158 Å²	158	53.8 Å²	53.8	69%	0.687	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	146.1	178.4	-61.5	177.7	-176.6	176.1	0	111.1	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.59Å; A141-K145 WeakPolarHBondContact CA-O 3.31Å; A141-K145 WeakPolarHBondContact CB-O 3.49Å; Y142-K145 PolarHBondContact N-O 2.83Å; Y142-K145 PolarHBondContact O-N 3.34Å; D143-K145 VanDerWaalsContact C-N 3.34Å; D143-K145 PolarHBondContact O-N 2.84Å; K145-Y147 PolarHBondContact O-N 2.84Å
146	D	98.6	Very high	98.2	Very high	118 Å²	118	51.3 Å²	51.3	63%	0.631	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.9	137.1	173.4	-70.7	-46.9	0	0	0	111.2	A160	D146-A160 WeakPolarHBondContact O-CB 3.41Å
147	Y	98.8	Very high	98.3	Very high	8 Å²	8	51.5 Å²	51.5	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-63.2	179.8	179.7	-106.9	0	0	0	110.5	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.35Å; L105-Y147 HydrophobicContact CD2-CD2 4.05Å; L105-Y147 HydrophobicContact CD2-CE1 3.79Å; L105-Y147 HydrophobicContact CD2-CE2 3.42Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.42Å; L105-Y147 HydrophobicContact CD2-CG 4.48Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.49Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.29Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.43Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.38Å; F140-Y147 WeakPolarHBondContact O-CB 3.5Å; F140-Y147 PolarHBondContact O-N 3.44Å; K145-Y147 PolarHBondContact O-N 2.84Å; Y147-A160 WeakPolarHBondContact O-CB 3.3Å; Y147-A160 PolarHBondContact O-N 2.8Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 2.84Å; Y147-A164 HydrophobicContact CD2-CB 3.9Å; Y147-A164 HydrophobicContact CE1-CB 4.46Å; Y147-A164 HydrophobicContact CE2-CB 3.77Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.22Å; Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 2.88Å
148	I	98.8	Very high	98.3	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.015	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	138.1	178.1	-161	174.7	0	0	0	111	Q139 F140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.36Å; F140-I148 HydrophobicContact CB-CG2 4.27Å; F140-I148 HydrophobicContact CD2-CG2 4.18Å; F140-I148 PolarHBondContact N-O 3.36Å; F140-I148 PolarHBondContact O-N 3.21Å; I148-W157 HydrophobicContact CD1-CB 4.16Å; I148-W157 HydrophobicContact CD1-CD2 4.45Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.26Å; I148-W157 HydrophobicContact CG1-CE3 4.17Å; I148-T158 WeakPolarHBondContact CA-O 3.28Å; I148-T158 WeakPolarHBondContact CG1-O 3.32Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; I148-T167 HydrophobicContact CG2-CG2 4.47Å; I148-Q168 HydrophobicContact CD1-CB 3.91Å; I148-W171 HydrophobicContact CD1-CE3 4.04Å; I148-W171 HydrophobicContact CD1-CZ3 4.24Å; I148-W171 HydrophobicContact CG2-CE3 4.38Å; I148-W171 HydrophobicContact CG2-CH2 3.94Å; I148-W171 HydrophobicContact CG2-CZ3 3.56Å
149	A	98.8	Very high	98.3	Very high	31 Å²	31	54.3 Å²	54.3	26%	0.256	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.1	178.8	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.89Å; A149-W157 CarbonylContact O-C 3.55Å; A149-W157 WeakPolarHBondContact O-CA 3.16Å; A149-T158 PolarHBondContact N-O 2.97Å; A149-T158 PolarHBondContact O-N 2.76Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.073	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129.4	166	-175.5	67.6	0	0	0	108.5	N138 L154 W157 A177 R180 L184	N138-L150 HydrophobicContact CB-CB 4.09Å; N138-L150 HydrophobicContact CB-CD2 4.17Å; N138-L150 WeakPolarHBondContact O-CB 3.36Å; N138-L150 PolarHBondContact O-N 2.6Å; L150-L154 HydrophobicContact CD2-CB 4.5Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.19Å; L150-W157 HydrophobicContact CB-CZ3 3.69Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.07Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.21Å; L150-A177 HydrophobicContact CD1-CB 4.01Å; L150-R180 HydrophobicContact CD2-CB 3.96Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å
151	N	98.5	Very high	98.3	Very high	43 Å²	43	56 Å²	56	23%	0.23	31%	0.312	C	S	.	.			trans	-74.5	164.7	-179.5	-66.3	-22.6	0	0	0	111.7	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.9Å; N151-D153 VanDerWaalsContact O-N 3.11Å; N151-L154 WeakPolarHBondContact O-CA 3.39Å; N151-L154 PolarHBondContact O-N 3.22Å; N151-S156 WeakPolarHBondContact CB-O 3.28Å; N151-S156 WeakPolarHBondContact CB-OG 3.31Å; N151-S156 PolarHBondContact N-O 3.43Å; N151-S156 PolarHBondContact ND2-OG 2.8Å; N151-T158 PolarHBondContact ND2-OG1 2.87Å; N151-T158 WeakPolarHBondContact OD1-CB 3.43Å; N151-T158 PolarHBondContact OD1-N 3.15Å; N151-T158 PolarHBondContact OD1-OG1 3.3Å
152	E	97.3	Very high	98.2	Very high	138 Å²	138	60.5 Å²	60.5	65%	0.645	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.8	-178.3	-63.2	179.1	-163	0	0	113.5	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.43Å; R135-E152 IonicContact CZ-OE1 3.92Å; R135-E152 IonicContact NH1-OE1 3.71Å; R135-E152 PolarHBondContact NH1-OE1 3.04Å; R135-E152 IonicContact NH1-OE2 3.51Å; R135-E152 VanDerWaalsContact NH2-CD 3.35Å; R135-E152 IonicContact NH2-OE1 3.29Å; R135-E152 PolarHBondContact NH2-OE1 2.95Å; E152-L154 PolarHBondContact O-N 2.79Å
153	D	97.3	Very high	98.2	Very high	75 Å²	75	60.2 Å²	60.2	40%	0.401	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.8	173.4	71.6	-1	0	0	0	114.1	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.9Å; N151-D153 VanDerWaalsContact O-N 3.11Å; D153-R155 WeakPolarHBondContact O-CD 3.38Å; D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.31Å; D153-R155 PolarHBondContact O-N 3.05Å; D153-R155 VanDerWaalsContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 3.4Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.47Å; D153-S156 PolarHBondContact OD1-OG 2.73Å; D153-S156 WeakPolarHBondContact OD2-CB 3.42Å; D153-S156 PolarHBondContact OD2-N 3Å; D153-S156 PolarHBondContact OD2-OG 3.38Å
154	L	97.9	Very high	98.2	Very high	9 Å²	9	57.3 Å²	57.3	5%	0.047	32%	0.322	C	S	.	.	S	Bend	trans	52.3	27.3	-173.2	-53.3	-178.9	0	0	0	113.9	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.18Å; L150-L154 HydrophobicContact CD2-CB 4.5Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; N151-L154 WeakPolarHBondContact O-CA 3.39Å; N151-L154 PolarHBondContact O-N 3.22Å; E152-L154 PolarHBondContact O-N 2.79Å; L154-R181 HydrophobicContact CB-CB 4.03Å; L154-R181 HydrophobicContact CB-CG 3.78Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; L154-R181 WeakPolarHBondContact O-CD 3.29Å; L154-L184 HydrophobicContact CD1-CB 4.49Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; L154-E185 HydrophobicContact CD1-CG 4.18Å
155	R	97.6	Very high	98.3	Very high	164 Å²	164	57.9 Å²	57.9	62%	0.619	31%	0.309	S	S	*	.	S	Bend	trans	-133.4	-35.8	-173.3	-70.5	162.8	-175.9	-102.7	9.8	113	D153 A177	D153-R155 WeakPolarHBondContact O-CD 3.38Å; D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.31Å; D153-R155 PolarHBondContact O-N 3.05Å; D153-R155 VanDerWaalsContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 3.4Å; R155-A177 WeakPolarHBondContact O-CB 3.43Å
156	S	97.9	Very high	98.3	Very high	42 Å²	42	53.1 Å²	53.1	29%	0.294	29%	0.29	S	S	.	.			trans	-110.6	164	-178.7	62	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.28Å; N151-S156 WeakPolarHBondContact CB-OG 3.31Å; N151-S156 PolarHBondContact N-O 3.43Å; N151-S156 PolarHBondContact ND2-OG 2.8Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.47Å; D153-S156 PolarHBondContact OD1-OG 2.73Å; D153-S156 WeakPolarHBondContact OD2-CB 3.42Å; D153-S156 PolarHBondContact OD2-N 3Å; D153-S156 PolarHBondContact OD2-OG 3.38Å
157	W	98.6	Very high	98.3	Very high	9 Å²	9	48.4 Å²	48.4	3%	0.034	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145	-179.4	-59.3	91	0	0	0	110.8	N138 I148 A149 L150 Q168 W171 E176 A177 R180	N138-W157 WeakPolarHBondContact ND2-CH2 3.42Å; I148-W157 HydrophobicContact CD1-CB 4.16Å; I148-W157 HydrophobicContact CD1-CD2 4.45Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.26Å; I148-W157 HydrophobicContact CG1-CE3 4.17Å; A149-W157 CarbonylContact O-C 3.55Å; A149-W157 WeakPolarHBondContact O-CA 3.16Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.19Å; L150-W157 HydrophobicContact CB-CZ3 3.69Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.07Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.21Å; W157-Q168 HydrophobicContact CB-CG 4.27Å; W157-Q168 PolarHBondContact O-NE2 2.77Å; W157-W171 AromaticContact CD2-CE3 3.98Å; W157-W171 HydrophobicContact CD2-CE3 3.98Å; W157-W171 AromaticContact CE2-CE3 3.86Å; W157-W171 AromaticContact CE3-CE3 3.81Å; W157-W171 HydrophobicContact CE3-CE3 3.81Å; W157-W171 AromaticContact CE3-CZ3 3.92Å; W157-W171 HydrophobicContact CE3-CZ3 3.92Å; W157-W171 AromaticContact CH2-CE3 3.45Å; W157-W171 HydrophobicContact CH2-CE3 3.45Å; W157-W171 VanDerWaalsContact CH2-CE3 3.45Å; W157-W171 AromaticContact CH2-CZ3 3.56Å; W157-W171 HydrophobicContact CH2-CZ3 3.56Å; W157-W171 HydrophobicContact CZ2-CD2 4.42Å; W157-W171 AromaticContact CZ2-CE3 3.62Å; W157-W171 HydrophobicContact CZ2-CE3 3.62Å; W157-W171 HydrophobicContact CZ2-CZ3 4.22Å; W157-W171 AromaticContact CZ3-CE3 3.57Å; W157-W171 HydrophobicContact CZ3-CE3 3.57Å; W157-W171 AromaticContact CZ3-CZ3 3.39Å; W157-W171 HydrophobicContact CZ3-CZ3 3.39Å; W157-E176 HydrophobicContact CZ2-CB 4.13Å; W157-A177 HydrophobicContact CZ2-CB 4.29Å; W157-R180 HydrophobicContact CH2-CG 4.22Å
158	T	98.7	Very high	98.3	Very high	80 Å²	80	50 Å²	50	49%	0.491	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.9	165.8	-64.6	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.28Å; I148-T158 WeakPolarHBondContact CG1-O 3.32Å; A149-T158 PolarHBondContact N-O 2.97Å; A149-T158 PolarHBondContact O-N 2.76Å; N151-T158 PolarHBondContact ND2-OG1 2.87Å; N151-T158 WeakPolarHBondContact OD1-CB 3.43Å; N151-T158 PolarHBondContact OD1-N 3.15Å; N151-T158 PolarHBondContact OD1-OG1 3.3Å
159	A	98.7	Very high	98.3	Very high	22 Å²	22	57 Å²	57	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	131	175.9	0	0	0	0	0	110.1	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.67Å; A159-Q165 HydrophobicContact CB-CG 4.05Å; A159-Q168 HydrophobicContact CB-CB 4.38Å
160	A	98.4	Very high	98.2	Very high	63 Å²	63	60.7 Å²	60.7	52%	0.521	31%	0.31	S	S	.	.	S	Bend	trans	-73.4	-31.4	-176.2	0	0	0	0	0	113.6	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.41Å; Y147-A160 WeakPolarHBondContact O-CB 3.3Å; Y147-A160 PolarHBondContact O-N 2.8Å
161	D	98.3	Very high	98.2	Very high	52 Å²	52	62.4 Å²	62.4	28%	0.278	32%	0.315	S	S	.	.	S	Bend	trans	-149.6	-174.1	-177.4	68.2	30.6	0	0	0	113.5	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.49Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.27Å; Y109-D161 PolarHBondContact OH-OD1 3.12Å; Y109-D161 PolarHBondContact OH-OD2 3.17Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 2.92Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 3.47Å; D161-A164 PolarHBondContact O-N 3.45Å; D161-A164 PolarHBondContact OD1-N 2.81Å; D161-Q165 WeakPolarHBondContact O-CG 3.43Å; D161-Q165 PolarHBondContact O-N 3.18Å
162	T	98.1	Very high	98.2	Very high	111 Å²	111	64.8 Å²	64.8	68%	0.681	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-25.2	-179.4	50.7	0	0	0	0	114.4
163	A	98	Very high	98.3	Very high	4 Å²	4	62.4 Å²	62.4	3%	0.033	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-43	173.2	0	0	0	0	0	110.3	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 3.93Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 2.84Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 2.92Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 3.47Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.99Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.24Å; A163-I166 PolarHBondContact O-N 3.04Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-58.8	-36.3	173.3	0	0	0	0	0	112.9	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.9Å; Y147-A164 HydrophobicContact CE1-CB 4.46Å; Y147-A164 HydrophobicContact CE2-CB 3.77Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.22Å; A159-A164 HydrophobicContact CB-CB 3.67Å; D161-A164 PolarHBondContact O-N 3.45Å; D161-A164 PolarHBondContact OD1-N 2.81Å; A164-I166 PolarHBondContact O-N 2.74Å; A164-T167 WeakPolarHBondContact O-CA 3.33Å; A164-T167 WeakPolarHBondContact O-CB 3.34Å; A164-T167 PolarHBondContact O-N 2.81Å; A164-Q168 PolarHBondContact O-N 2.82Å
165	Q	98.7	Very high	98.3	Very high	71 Å²	71	68.4 Å²	68.4	33%	0.332	36%	0.357	S	S	.	.	H	α-helix	trans	-59	-27.2	172.2	-73.2	175.7	21.4	0	0	113.5	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.05Å; D161-Q165 WeakPolarHBondContact O-CG 3.43Å; D161-Q165 PolarHBondContact O-N 3.18Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.99Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 3.15Å; Q165-R169 VanDerWaalsContact O-N 3.15Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.11Å
166	I	98.4	Very high	98.3	Very high	59 Å²	59	62.5 Å²	62.5	30%	0.303	34%	0.337	S	S	.	.	H	α-helix	trans	-69.3	-39.4	174.1	-55.9	170.8	0	0	0	110.2	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.31Å; Y108-I166 HydrophobicContact CD2-CB 4.37Å; Y108-I166 HydrophobicContact CD2-CD1 4.35Å; Y108-I166 HydrophobicContact CD2-CG2 4.5Å; Y108-I166 HydrophobicContact CE1-CG2 4.35Å; Y108-I166 HydrophobicContact CE2-CB 4.17Å; Y108-I166 HydrophobicContact CE2-CG2 3.92Å; Y108-I166 HydrophobicContact CG-CD1 4.15Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.24Å; A163-I166 PolarHBondContact O-N 3.04Å; A164-I166 PolarHBondContact O-N 2.74Å; I166-K170 HydrophobicContact CG2-CD 4.5Å; I166-K170 WeakPolarHBondContact O-CD 3.29Å; I166-K170 VanDerWaalsContact O-CG 3.31Å; I166-K170 WeakPolarHBondContact O-CG 3.4Å
167	T	98.3	Very high	98.3	Very high	18 Å²	18	61 Å²	61	11%	0.11	33%	0.326	C	S	.	.	H	α-helix	trans	-68.2	-46.4	173	-70.8	0	0	0	0	111	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 2.88Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; I148-T167 HydrophobicContact CG2-CG2 4.47Å; A164-T167 WeakPolarHBondContact O-CA 3.33Å; A164-T167 WeakPolarHBondContact O-CB 3.34Å; A164-T167 PolarHBondContact O-N 2.81Å; T167-R169 PolarHBondContact O-N 3.41Å; T167-K170 WeakPolarHBondContact O-CB 3.23Å; T167-K170 PolarHBondContact O-N 2.85Å; T167-K170 VanDerWaalsContact O-N 3.1Å; T167-W171 HydrophobicContact CG2-CD2 3.58Å; T167-W171 VanDerWaalsContact CG2-CE2 3.47Å; T167-W171 HydrophobicContact CG2-CE3 3.93Å; T167-W171 HydrophobicContact CG2-CG 4.05Å; T167-W171 HydrophobicContact CG2-CH2 4.06Å; T167-W171 HydrophobicContact CG2-CZ2 3.74Å; T167-W171 HydrophobicContact CG2-CZ3 4.16Å; T167-W171 PolarHBondContact O-N 3.16Å
168	Q	98.6	Very high	98.3	Very high	41 Å²	41	65.8 Å²	65.8	19%	0.192	35%	0.349	C	S	.	.	H	α-helix	trans	-50.7	-56.7	179	176	173.2	10.9	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.91Å; W157-Q168 HydrophobicContact CB-CG 4.27Å; W157-Q168 PolarHBondContact O-NE2 2.77Å; A159-Q168 HydrophobicContact CB-CB 4.38Å; A164-Q168 PolarHBondContact O-N 2.82Å; Q168-K170 PolarHBondContact O-N 2.84Å; Q168-K170 VanDerWaalsContact O-N 3.16Å; Q168-W171 PolarHBondContact O-N 2.89Å; Q168-E172 VanDerWaalsContact CG-CD 3.48Å; Q168-E172 HydrophobicContact CG-CG 4.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.47Å; Q168-E172 PolarHBondContact NE2-OE1 3.41Å; Q168-E172 WeakPolarHBondContact O-CB 3.41Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 2.72Å
169	R	98.6	Very high	98.2	Very high	151 Å²	151	67.6 Å²	67.6	57%	0.57	35%	0.352	S	S	*	.	H	α-helix	trans	-58	-34	-178.9	-66.7	169.1	-164.2	157.2	10.5	112.7	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 3.15Å; Q165-R169 VanDerWaalsContact O-N 3.15Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.11Å; T167-R169 PolarHBondContact O-N 3.41Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.27Å; R169-A173 PolarHBondContact O-N 2.94Å; R169-A173 VanDerWaalsContact O-N 3.11Å
170	K	98.1	Very high	98.1	Very high	108 Å²	108	69.8 Å²	69.8	47%	0.47	36%	0.356	S	S	.	.	H	α-helix	trans	-72.8	-41	176.8	-69.7	172.5	-173.7	179.4	0	111.9	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 3.04Å; I166-K170 HydrophobicContact CG2-CD 4.5Å; I166-K170 WeakPolarHBondContact O-CD 3.29Å; I166-K170 VanDerWaalsContact O-CG 3.31Å; I166-K170 WeakPolarHBondContact O-CG 3.4Å; T167-K170 WeakPolarHBondContact O-CB 3.23Å; T167-K170 PolarHBondContact O-N 2.85Å; T167-K170 VanDerWaalsContact O-N 3.1Å; Q168-K170 PolarHBondContact O-N 2.84Å; Q168-K170 VanDerWaalsContact O-N 3.16Å; K170-A174 VanDerWaalsContact O-CB 3.22Å; K170-A174 WeakPolarHBondContact O-CB 3.46Å; K170-A174 PolarHBondContact O-N 2.78Å
171	W	98.3	Very high	98.1	Very high	50 Å²	50	70.3 Å²	70.3	19%	0.189	34%	0.344	C	S	.	.	H	α-helix	trans	-72.7	-33.7	179.2	-75.9	4.3	0	0	0	112.8	F140 I148 W157 T167 Q168 A174 R175 E176	F140-W171 AromaticContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CZ3 4.26Å; F140-W171 AromaticContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CH2 3.45Å; F140-W171 VanDerWaalsContact CE2-CH2 3.45Å; F140-W171 HydrophobicContact CE2-CZ2 4.47Å; F140-W171 HydrophobicContact CE2-CZ3 4.04Å; F140-W171 AromaticContact CZ-CH2 3.87Å; F140-W171 HydrophobicContact CZ-CH2 3.87Å; I148-W171 HydrophobicContact CD1-CE3 4.04Å; I148-W171 HydrophobicContact CD1-CZ3 4.24Å; I148-W171 HydrophobicContact CG2-CE3 4.38Å; I148-W171 HydrophobicContact CG2-CH2 3.94Å; I148-W171 HydrophobicContact CG2-CZ3 3.56Å; W157-W171 AromaticContact CD2-CE3 3.98Å; W157-W171 HydrophobicContact CD2-CE3 3.98Å; W157-W171 AromaticContact CE2-CE3 3.86Å; W157-W171 AromaticContact CE3-CE3 3.81Å; W157-W171 HydrophobicContact CE3-CE3 3.81Å; W157-W171 AromaticContact CE3-CZ3 3.92Å; W157-W171 HydrophobicContact CE3-CZ3 3.92Å; W157-W171 AromaticContact CH2-CE3 3.45Å; W157-W171 HydrophobicContact CH2-CE3 3.45Å; W157-W171 VanDerWaalsContact CH2-CE3 3.45Å; W157-W171 AromaticContact CH2-CZ3 3.56Å; W157-W171 HydrophobicContact CH2-CZ3 3.56Å; W157-W171 HydrophobicContact CZ2-CD2 4.42Å; W157-W171 AromaticContact CZ2-CE3 3.62Å; W157-W171 HydrophobicContact CZ2-CE3 3.62Å; W157-W171 HydrophobicContact CZ2-CZ3 4.22Å; W157-W171 AromaticContact CZ3-CE3 3.57Å; W157-W171 HydrophobicContact CZ3-CE3 3.57Å; W157-W171 AromaticContact CZ3-CZ3 3.39Å; W157-W171 HydrophobicContact CZ3-CZ3 3.39Å; T167-W171 HydrophobicContact CG2-CD2 3.58Å; T167-W171 VanDerWaalsContact CG2-CE2 3.47Å; T167-W171 HydrophobicContact CG2-CE3 3.93Å; T167-W171 HydrophobicContact CG2-CG 4.05Å; T167-W171 HydrophobicContact CG2-CH2 4.06Å; T167-W171 HydrophobicContact CG2-CZ2 3.74Å; T167-W171 HydrophobicContact CG2-CZ3 4.16Å; T167-W171 PolarHBondContact O-N 3.16Å; Q168-W171 PolarHBondContact O-N 2.89Å; W171-A174 CarbonylContact O-C 3.49Å; W171-R175 WeakPolarHBondContact O-CA 3.26Å; W171-R175 PolarHBondContact O-N 2.85Å; W171-E176 HydrophobicContact CB-CB 3.96Å; W171-E176 HydrophobicContact CB-CG 4.05Å; W171-E176 HydrophobicContact CD2-CG 4.47Å; W171-E176 HydrophobicContact CG-CB 4.1Å; W171-E176 HydrophobicContact CG-CG 3.86Å; W171-E176 PolarHBondContact O-N 2.94Å
172	E	98.4	Very high	98.1	Very high	93 Å²	93	71 Å²	71	44%	0.435	36%	0.357	S	S	.	.	H	α-helix	trans	-65.5	-49.4	170.1	-71.4	167.6	170.3	0	0	110.9	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.48Å; Q168-E172 HydrophobicContact CG-CG 4.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.47Å; Q168-E172 PolarHBondContact NE2-OE1 3.41Å; Q168-E172 WeakPolarHBondContact O-CB 3.41Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 2.72Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.33Å; E172-R175 PolarHBondContact O-N 3.04Å
173	A	98.3	Very high	98.1	Very high	89 Å²	89	68.7 Å²	68.7	74%	0.736	34%	0.336	S	S	*	.	H	α-helix	trans	-61.1	-34.8	176	0	0	0	0	0	113.2	R169	R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.27Å; R169-A173 PolarHBondContact O-N 2.94Å; R169-A173 VanDerWaalsContact O-N 3.11Å
174	A	98	Very high	98.1	Very high	55 Å²	55	68.6 Å²	68.6	46%	0.455	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-1.7	176.1	0	0	0	0	0	114.4	K170 W171 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.22Å; K170-A174 WeakPolarHBondContact O-CB 3.46Å; K170-A174 PolarHBondContact O-N 2.78Å; W171-A174 CarbonylContact O-C 3.49Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.33Å; A174-E176 HydrophobicContact CB-CG 4.29Å; A174-E176 PolarHBondContact O-N 3.21Å
175	R	97.7	Very high	98.1	Very high	155 Å²	155	72.7 Å²	72.7	59%	0.585	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	35.5	-176.3	-60.4	172.8	172.4	-132.1	10.8	114.5	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.26Å; W171-R175 PolarHBondContact O-N 2.85Å; E172-R175 PolarHBondContact O-N 3.04Å; R175-A177 PolarHBondContact O-N 3.04Å; R175-A177 VanDerWaalsContact O-N 3.12Å; R175-E178 HydrophobicContact CB-CG 4.15Å; R175-E178 WeakPolarHBondContact CD-OE1 3.47Å; R175-E178 IonicContact CZ-OE1 2.71Å; R175-E178 IonicContact NE-OE1 3.86Å; R175-E178 IonicContact NH1-OE1 2.67Å; R175-E178 PolarHBondContact NH1-OE1 3.27Å; R175-E178 IonicContact NH1-OE2 2.77Å; R175-E178 WeakPolarHBondContact O-CB 3.49Å; R175-E178 PolarHBondContact O-N 2.87Å
176	E	97.5	Very high	98.1	Very high	40 Å²	40	70.4 Å²	70.4	19%	0.187	35%	0.35	C	S	.	.	H	α-helix	trans	-55.6	-33.8	-178.9	-78.6	-80.6	161.8	0	0	112.6	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.13Å; W171-E176 HydrophobicContact CB-CB 3.96Å; W171-E176 HydrophobicContact CB-CG 4.05Å; W171-E176 HydrophobicContact CD2-CG 4.47Å; W171-E176 HydrophobicContact CG-CB 4.1Å; W171-E176 HydrophobicContact CG-CG 3.86Å; W171-E176 PolarHBondContact O-N 2.94Å; A174-E176 HydrophobicContact CB-CG 4.29Å; A174-E176 PolarHBondContact O-N 3.21Å; E176-E178 VanDerWaalsContact C-N 3.29Å; E176-E178 PolarHBondContact O-N 2.82Å; E176-Q179 PolarHBondContact O-N 2.87Å; E176-Q179 VanDerWaalsContact O-N 3.14Å; E176-R180 WeakPolarHBondContact O-CG 3.4Å; E176-R180 PolarHBondContact O-N 3.01Å; E176-R180 IonicContact OE2-CZ 3.45Å; E176-R180 IonicContact OE2-NE 3.4Å; E176-R180 IonicContact OE2-NH2 2.65Å; E176-R180 PolarHBondContact OE2-NH2 3.33Å
177	A	98.3	Very high	98	Very high	9 Å²	9	72.6 Å²	72.6	7%	0.074	36%	0.357	C	S	.	.	H	α-helix	trans	-58.1	-38.5	176.8	0	0	0	0	0	112.6	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 4.01Å; R155-A177 WeakPolarHBondContact O-CB 3.43Å; W157-A177 HydrophobicContact CZ2-CB 4.29Å; R175-A177 PolarHBondContact O-N 3.04Å; R175-A177 VanDerWaalsContact O-N 3.12Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 3.27Å; A177-R180 PolarHBondContact O-N 2.86Å; A177-R181 WeakPolarHBondContact O-CB 3.43Å; A177-R181 PolarHBondContact O-N 2.93Å
178	E	98	Very high	98	Very high	110 Å²	110	71.7 Å²	71.7	51%	0.514	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-41.3	177.1	-62.5	178.6	-176.5	0	0	111	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.15Å; R175-E178 WeakPolarHBondContact CD-OE1 3.47Å; R175-E178 IonicContact CZ-OE1 2.71Å; R175-E178 IonicContact NE-OE1 3.86Å; R175-E178 IonicContact NH1-OE1 2.67Å; R175-E178 PolarHBondContact NH1-OE1 3.27Å; R175-E178 IonicContact NH1-OE2 2.77Å; R175-E178 WeakPolarHBondContact O-CB 3.49Å; R175-E178 PolarHBondContact O-N 2.87Å; E176-E178 VanDerWaalsContact C-N 3.29Å; E176-E178 PolarHBondContact O-N 2.82Å; E178-A182 WeakPolarHBondContact O-CB 3.21Å; E178-A182 PolarHBondContact O-N 2.94Å
179	Q	96.7	Very high	98	Very high	118 Å²	118	70.2 Å²	70.2	55%	0.551	35%	0.345	S	S	*	.	H	α-helix	trans	-69.9	-41.8	177.6	-58.7	-174.5	25.2	0	0	112.4	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 2.87Å; E176-Q179 VanDerWaalsContact O-N 3.14Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 3.27Å; Q179-A182 PolarHBondContact O-N 3.15Å; Q179-Y183 PolarHBondContact O-N 2.84Å; Q179-Y183 VanDerWaalsContact O-N 3.13Å
180	R	97.8	Very high	98	Very high	68 Å²	68	67.6 Å²	67.6	26%	0.257	34%	0.34	S	S	.	.	H	α-helix	trans	-64.8	-44.7	176.8	-59.3	-58.9	156	-172.3	-9	110.6	L150 W157 E176 A177 Y183 L184	L150-R180 HydrophobicContact CD2-CB 3.96Å; W157-R180 HydrophobicContact CH2-CG 4.22Å; E176-R180 WeakPolarHBondContact O-CG 3.4Å; E176-R180 PolarHBondContact O-N 3.01Å; E176-R180 IonicContact OE2-CZ 3.45Å; E176-R180 IonicContact OE2-NE 3.4Å; E176-R180 IonicContact OE2-NH2 2.65Å; E176-R180 PolarHBondContact OE2-NH2 3.33Å; A177-R180 PolarHBondContact O-N 2.86Å; R180-Y183 PolarHBondContact O-N 3.29Å; R180-L184 WeakPolarHBondContact O-CB 3.44Å; R180-L184 VanDerWaalsContact O-CG 3.22Å; R180-L184 WeakPolarHBondContact O-CG 3.4Å; R180-L184 PolarHBondContact O-N 2.86Å
181	R	98.2	Very high	97.9	Very high	75 Å²	75	64.5 Å²	64.5	28%	0.283	33%	0.325	S	S	.	.	H	α-helix	trans	-58.7	-47.4	175.7	-173.9	170.1	178.5	-117.5	-17.9	112.1	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.03Å; L154-R181 HydrophobicContact CB-CG 3.78Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; L154-R181 WeakPolarHBondContact O-CD 3.29Å; A177-R181 WeakPolarHBondContact O-CB 3.43Å; A177-R181 PolarHBondContact O-N 2.93Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 2.93Å; R181-L184 PolarHBondContact O-N 2.82Å; R181-L184 VanDerWaalsContact O-N 3.13Å; R181-E185 VanDerWaalsContact CG-CD 3.49Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 WeakPolarHBondContact CG-OE2 3.42Å; R181-E185 IonicContact CZ-OE1 3.77Å; R181-E185 IonicContact CZ-OE2 3.57Å; R181-E185 VanDerWaalsContact NE-CD 3.29Å; R181-E185 IonicContact NE-OE1 2.89Å; R181-E185 PolarHBondContact NE-OE1 3.15Å; R181-E185 IonicContact NE-OE2 3.78Å; R181-E185 PolarHBondContact NE-OE2 3.23Å; R181-E185 IonicContact NH2-OE1 3.66Å; R181-E185 PolarHBondContact NH2-OE1 2.8Å; R181-E185 IonicContact NH2-OE2 3.06Å; R181-E185 PolarHBondContact NH2-OE2 2.98Å; R181-E185 VanDerWaalsContact NH2-OE2 3.15Å; R181-E185 WeakPolarHBondContact O-CB 3.42Å; R181-E185 PolarHBondContact O-N 2.62Å
182	A	98.3	Very high	97.9	Very high	65 Å²	65	62.1 Å²	62.1	54%	0.537	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-35.3	176.9	0	0	0	0	0	113.4	E178 Q179 G186	E178-A182 WeakPolarHBondContact O-CB 3.21Å; E178-A182 PolarHBondContact O-N 2.94Å; Q179-A182 PolarHBondContact O-N 3.15Å; A182-G186 PolarHBondContact O-N 3.49Å
183	Y	98	Very high	97.8	Very high	63 Å²	63	63.5 Å²	63.5	25%	0.247	32%	0.317	C	S	.	.	I	π-helix	trans	-69.4	-45.5	171.7	172.5	-95.7	0	0	0	112.1	F123 Q179 R180 R181 K187 C188	F123-Y183 AromaticContact CD2-CE1 3.87Å; F123-Y183 HydrophobicContact CD2-CE1 3.87Å; F123-Y183 AromaticContact CE2-CE1 3.81Å; F123-Y183 HydrophobicContact CE2-CE1 3.81Å; Q179-Y183 PolarHBondContact O-N 2.84Å; Q179-Y183 VanDerWaalsContact O-N 3.13Å; R180-Y183 PolarHBondContact O-N 3.29Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 2.93Å; Y183-K187 HydrophobicContact CD2-CB 3.81Å; Y183-K187 HydrophobicContact CE2-CB 3.98Å; Y183-K187 PolarHBondContact O-N 3.24Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.94Å; Y183-C188 WeakPolarHBondContact O-CB 3.2Å; Y183-C188 PolarHBondContact O-N 2.92Å
184	L	98.4	Very high	97.7	Very high	2 Å²	2	65 Å²	65	1%	0.01	30%	0.304	C	S	.	.	I	π-helix	trans	-70.9	-42.8	-174.7	-70.4	171.7	0	0	0	113.1	G124 L150 L154 R180 R181 C188 V189	G124-L184 WeakPolarHBondContact O-CD2 3.33Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å; L154-L184 HydrophobicContact CD1-CB 4.49Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; R180-L184 WeakPolarHBondContact O-CB 3.44Å; R180-L184 VanDerWaalsContact O-CG 3.22Å; R180-L184 WeakPolarHBondContact O-CG 3.4Å; R180-L184 PolarHBondContact O-N 2.86Å; R181-L184 PolarHBondContact O-N 2.82Å; R181-L184 VanDerWaalsContact O-N 3.13Å; L184-C188 HydrophobicContact CD2-CB 4.48Å; L184-V189 WeakPolarHBondContact O-CG2 3.48Å
185	E	97.8	Very high	97.7	Very high	87 Å²	87	62.4 Å²	62.4	41%	0.407	28%	0.282	S	S	.	.	I	π-helix	trans	-76.3	-26.7	177.4	-66.4	-179.4	158.9	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.47Å; L133-E185 HydrophobicContact CD2-CG 3.8Å; L154-E185 HydrophobicContact CD1-CG 4.18Å; R181-E185 VanDerWaalsContact CG-CD 3.49Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 WeakPolarHBondContact CG-OE2 3.42Å; R181-E185 IonicContact CZ-OE1 3.77Å; R181-E185 IonicContact CZ-OE2 3.57Å; R181-E185 VanDerWaalsContact NE-CD 3.29Å; R181-E185 IonicContact NE-OE1 2.89Å; R181-E185 PolarHBondContact NE-OE1 3.15Å; R181-E185 IonicContact NE-OE2 3.78Å; R181-E185 PolarHBondContact NE-OE2 3.23Å; R181-E185 IonicContact NH2-OE1 3.66Å; R181-E185 PolarHBondContact NH2-OE1 2.8Å; R181-E185 IonicContact NH2-OE2 3.06Å; R181-E185 PolarHBondContact NH2-OE2 2.98Å; R181-E185 VanDerWaalsContact NH2-OE2 3.15Å; R181-E185 WeakPolarHBondContact O-CB 3.42Å; R181-E185 PolarHBondContact O-N 2.62Å
186	G	97.6	Very high	97.6	Very high	23 Å²	23	55.7 Å²	55.7	24%	0.237	26%	0.258	C	S	.	.	I	π-helix	trans	-104.8	-89.3	-179.1	0	0	0	0	0	112.9	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.49Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.26Å; G186-V189 PolarHBondContact O-N 3.03Å; G186-E190 WeakPolarHBondContact O-CG 3Å; G186-E190 PolarHBondContact O-N 2.83Å
187	K	97.4	Very high	97.5	Very high	104 Å²	104	59.8 Å²	59.8	45%	0.452	28%	0.277	S	S	.	.	I	π-helix	trans	-60.3	-34.9	-168.1	-70.5	-69.9	160	-143.4	0	113.9	Y183 E190 W191	Y183-K187 HydrophobicContact CD2-CB 3.81Å; Y183-K187 HydrophobicContact CE2-CB 3.98Å; Y183-K187 PolarHBondContact O-N 3.24Å; K187-E190 WeakPolarHBondContact CD-OE2 3.4Å; K187-E190 WeakPolarHBondContact CE-OE2 3.22Å; K187-E190 IonicContact NZ-OE1 3.08Å; K187-E190 PolarHBondContact NZ-OE1 3.48Å; K187-E190 IonicContact NZ-OE2 2.92Å; K187-E190 PolarHBondContact NZ-OE2 3.32Å; K187-W191 WeakPolarHBondContact O-CB 3.48Å; K187-W191 PolarHBondContact O-N 2.94Å
188	C	98.3	Very high	97.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.287	C	S	.	.	I	π-helix	trans	-63.8	-49.2	178	-167.4	0	0	0	0	110.9	M29 C125 Y183 L184 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.14Å; M29-C188 WeakPolarHBondContact CE-SG 3.01Å; C125-C188 HydrophobicContact CB-CB 3.84Å; C125-C188 WeakPolarHBondContact CB-SG 3.46Å; C125-C188 PolarHBondContact N-SG 3.29Å; C125-C188 WeakPolarHBondContact SG-CB 3.4Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 2.73Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.94Å; Y183-C188 WeakPolarHBondContact O-CB 3.2Å; Y183-C188 PolarHBondContact O-N 2.92Å; L184-C188 HydrophobicContact CD2-CB 4.48Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.26Å; C188-E190 PolarHBondContact O-N 3Å; C188-W191 PolarHBondContact O-N 3.13Å; C188-L192 WeakPolarHBondContact O-CB 3.38Å; C188-L192 PolarHBondContact O-N 2.81Å
189	V	98.1	Very high	97.3	Very high	9 Å²	9	56.7 Å²	56.7	6%	0.055	26%	0.263	C	S	.	.	H	α-helix	trans	-59.5	-46.2	175.4	-178.3	0	0	0	0	111.8	L127 L133 L184 G186 R193	L127-V189 HydrophobicContact CD1-CG1 4.44Å; L127-V189 HydrophobicContact CD2-CB 4.23Å; L127-V189 HydrophobicContact CD2-CG1 3.82Å; L127-V189 HydrophobicContact CD2-CG2 3.9Å; L133-V189 HydrophobicContact CB-CG2 4.08Å; L133-V189 HydrophobicContact CD1-CG2 4.15Å; L184-V189 WeakPolarHBondContact O-CG2 3.48Å; G186-V189 PolarHBondContact O-N 3.03Å; V189-R193 WeakPolarHBondContact O-CG 3.33Å; V189-R193 PolarHBondContact O-N 3.18Å; V189-R193 VanDerWaalsContact O-N 3.08Å
190	E	97.8	Very high	97.1	Very high	97 Å²	97	55.9 Å²	55.9	45%	0.453	26%	0.258	S	S	.	.	H	α-helix	trans	-59.1	-47.2	178.6	-71.5	174.2	-161.3	0	0	112.5	G186 K187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3Å; G186-E190 PolarHBondContact O-N 2.83Å; K187-E190 WeakPolarHBondContact CD-OE2 3.4Å; K187-E190 WeakPolarHBondContact CE-OE2 3.22Å; K187-E190 IonicContact NZ-OE1 3.08Å; K187-E190 PolarHBondContact NZ-OE1 3.48Å; K187-E190 IonicContact NZ-OE2 2.92Å; K187-E190 PolarHBondContact NZ-OE2 3.32Å; C188-E190 PolarHBondContact O-N 3Å; E190-R194 PolarHBondContact O-N 2.9Å
191	W	97.8	Very high	96.7	Very high	42 Å²	42	61.3 Å²	61.3	16%	0.159	29%	0.286	C	S	.	.	H	α-helix	trans	-71.4	-41.7	-178.5	-81.9	105.8	0	0	0	112.4	M29 Y83 K187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.08Å; M29-W191 HydrophobicContact SD-CB 4.42Å; Y83-W191 AromaticContact CD2-CH2 3.63Å; Y83-W191 HydrophobicContact CD2-CH2 3.63Å; Y83-W191 HydrophobicContact CD2-CZ2 4.27Å; Y83-W191 AromaticContact CD2-CZ3 3.87Å; Y83-W191 HydrophobicContact CD2-CZ3 3.87Å; Y83-W191 HydrophobicContact CE2-CE3 4.33Å; Y83-W191 HydrophobicContact CE2-CH2 4.03Å; Y83-W191 AromaticContact CE2-CZ3 3.87Å; Y83-W191 HydrophobicContact CE2-CZ3 3.87Å; K187-W191 WeakPolarHBondContact O-CB 3.48Å; K187-W191 PolarHBondContact O-N 2.94Å; C188-W191 PolarHBondContact O-N 3.13Å; W191-R193 PolarHBondContact O-N 2.87Å; W191-R194 WeakPolarHBondContact O-CB 3.32Å; W191-R194 PolarHBondContact O-N 3.27Å; W191-Y195 HydrophobicContact CB-CE2 4.03Å; W191-Y195 HydrophobicContact CE3-CD1 4.45Å; W191-Y195 AromaticContact CE3-CE1 3.55Å; W191-Y195 HydrophobicContact CE3-CE1 3.55Å; W191-Y195 HydrophobicContact CE3-CE2 4.35Å; W191-Y195 AromaticContact CE3-CZ 3.48Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.48Å; W191-Y195 VanDerWaalsContact CE3-OH 3.25Å; W191-Y195 AromaticContact CZ3-CE1 3.98Å; W191-Y195 HydrophobicContact CZ3-CE1 3.98Å; W191-Y195 VanDerWaalsContact O-CD2 3.27Å; W191-Y195 WeakPolarHBondContact O-CD2 3.29Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 2.83Å
192	L	98.1	Very high	96.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-46.1	176.3	173.7	51	0	0	0	111.5	M29 V52 L127 C188 R194 Y195 L196	M29-L192 HydrophobicContact CB-CB 4Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.2Å; M29-L192 HydrophobicContact CE-CB 4.25Å; M29-L192 HydrophobicContact SD-CB 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; L127-L192 HydrophobicContact CD1-CB 4.28Å; L127-L192 HydrophobicContact CD1-CD2 3.66Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.6Å; L127-L192 HydrophobicContact CG-CG 4.27Å; C188-L192 WeakPolarHBondContact O-CB 3.38Å; C188-L192 PolarHBondContact O-N 2.81Å; L192-R194 VanDerWaalsContact C-N 3.31Å; L192-R194 PolarHBondContact O-N 3.07Å; L192-Y195 PolarHBondContact O-N 3.4Å; L192-L196 HydrophobicContact CD1-CD1 3.75Å; L192-L196 HydrophobicContact CD1-CD2 4.34Å; L192-L196 HydrophobicContact CD1-CG 3.79Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 VanDerWaalsContact O-CG 3.32Å; L192-L196 WeakPolarHBondContact O-CG 3.33Å; L192-L196 PolarHBondContact O-N 3.12Å
193	R	96.4	Very high	96	Very high	123 Å²	123	56.7 Å²	56.7	46%	0.464	26%	0.259	S	S	.	.	H	α-helix	trans	-58.4	-41.1	174.2	-71.4	176	-176.1	170.4	0.4	112.7	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.95Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 3.33Å; G131-R193 PolarHBondContact O-NH2 3.11Å; V189-R193 WeakPolarHBondContact O-CG 3.33Å; V189-R193 PolarHBondContact O-N 3.18Å; V189-R193 VanDerWaalsContact O-N 3.08Å; W191-R193 PolarHBondContact O-N 2.87Å; R193-L196 PolarHBondContact O-N 2.94Å; R193-E197 PolarHBondContact O-N 2.99Å; R193-E197 VanDerWaalsContact O-N 3.11Å
194	R	96.6	Very high	95.6	Very high	120 Å²	120	58 Å²	58	45%	0.453	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-42.5	175.9	176.8	175.1	171.7	130	-0.7	111.9	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.21Å; E79-R194 IonicContact OE1-NE 3.24Å; E79-R194 PolarHBondContact OE1-NE 3Å; E79-R194 IonicContact OE1-NH2 3.77Å; E79-R194 PolarHBondContact OE1-NH2 2.98Å; E79-R194 IonicContact OE2-CZ 3.88Å; E79-R194 IonicContact OE2-NE 3.15Å; E79-R194 IonicContact OE2-NH2 2.63Å; E79-R194 PolarHBondContact OE2-NH2 2.88Å; E190-R194 PolarHBondContact O-N 2.9Å; W191-R194 WeakPolarHBondContact O-CB 3.32Å; W191-R194 PolarHBondContact O-N 3.27Å; L192-R194 VanDerWaalsContact C-N 3.31Å; L192-R194 PolarHBondContact O-N 3.07Å; R194-E197 PolarHBondContact O-N 2.88Å; R194-N198 VanDerWaalsContact O-CB 3.29Å; R194-N198 WeakPolarHBondContact O-CB 3.43Å; R194-N198 PolarHBondContact O-N 2.96Å; R194-N198 PolarHBondContact O-OD1 3.34Å
195	Y	97.1	Very high	95.2	Very high	1 Å²	1	62 Å²	62	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-68	-39.6	177.7	-61.4	-31.4	0	0	0	112.4	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.75Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å; V52-Y195 HydrophobicContact CG2-CD2 3.93Å; V52-Y195 HydrophobicContact CG2-CG 4.44Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE2-CD2 4.12Å; F57-Y195 HydrophobicContact CE2-CE1 4.48Å; F57-Y195 AromaticContact CE2-CE2 3.52Å; F57-Y195 HydrophobicContact CE2-CE2 3.52Å; F57-Y195 AromaticContact CE2-CZ 3.74Å; F57-Y195 HydrophobicContact CZ-CD2 4.14Å; F57-Y195 AromaticContact CZ-CE2 3.62Å; F57-Y195 HydrophobicContact CZ-CE2 3.62Å; W75-Y195 HydrophobicContact CE3-CD1 4.28Å; W75-Y195 HydrophobicContact CE3-CG 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.2Å; W75-Y195 AromaticContact CZ3-CD1 3.63Å; W75-Y195 HydrophobicContact CZ3-CD1 3.63Å; W75-Y195 HydrophobicContact CZ3-CD2 4.34Å; W75-Y195 HydrophobicContact CZ3-CE1 4.42Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; V76-Y195 HydrophobicContact CG2-CE1 4.4Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.29Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.22Å; Y83-Y195 PolarHBondContact OH-OH 3.32Å; W191-Y195 HydrophobicContact CB-CE2 4.03Å; W191-Y195 HydrophobicContact CE3-CD1 4.45Å; W191-Y195 AromaticContact CE3-CE1 3.55Å; W191-Y195 HydrophobicContact CE3-CE1 3.55Å; W191-Y195 HydrophobicContact CE3-CE2 4.35Å; W191-Y195 AromaticContact CE3-CZ 3.48Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.48Å; W191-Y195 VanDerWaalsContact CE3-OH 3.25Å; W191-Y195 AromaticContact CZ3-CE1 3.98Å; W191-Y195 HydrophobicContact CZ3-CE1 3.98Å; W191-Y195 VanDerWaalsContact O-CD2 3.27Å; W191-Y195 WeakPolarHBondContact O-CD2 3.29Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 2.83Å; L192-Y195 PolarHBondContact O-N 3.4Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 2.03Å; Y195-N198 PolarHBondContact O-N 2.92Å; Y195-G199 WeakPolarHBondContact O-CA 3.39Å; Y195-G199 PolarHBondContact O-N 2.84Å; Y195-L203 WeakPolarHBondContact O-CD1 3.31Å
196	L	95.8	Very high	94.9	Very high	14 Å²	14	59.8 Å²	59.8	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-34.4	175	-70.7	168.9	0	0	0	112.9	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.7Å; H27-L196 HydrophobicContact CB-CD2 4.06Å; H27-L196 HydrophobicContact CB-CG 4.48Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.39Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; L192-L196 HydrophobicContact CD1-CD1 3.75Å; L192-L196 HydrophobicContact CD1-CD2 4.34Å; L192-L196 HydrophobicContact CD1-CG 3.79Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 VanDerWaalsContact O-CG 3.32Å; L192-L196 WeakPolarHBondContact O-CG 3.33Å; L192-L196 PolarHBondContact O-N 3.12Å; R193-L196 PolarHBondContact O-N 2.94Å; L196-K200 VanDerWaalsContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CA 3.36Å; L196-K200 WeakPolarHBondContact O-CB 2.98Å; L196-K200 PolarHBondContact O-N 3.14Å; L196-L203 HydrophobicContact CD2-CB 4.16Å; L196-L203 HydrophobicContact CD2-CD1 4.34Å; L196-Q204 PolarHBondContact O-NE2 2.95Å
197	E	95.3	Very high	94.8	Very high	125 Å²	125	61.6 Å²	61.6	58%	0.584	28%	0.281	S	S	*	.	H	α-helix	trans	-75.5	-47.1	173.8	-169.5	62.3	-154.9	0	0	111.4	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.99Å; R193-E197 VanDerWaalsContact O-N 3.11Å; R194-E197 PolarHBondContact O-N 2.88Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 2.03Å; E197-G199 VanDerWaalsContact C-N 3.35Å; E197-G199 PolarHBondContact O-N 3.35Å; E197-K200 WeakPolarHBondContact O-CB 3.37Å; E197-K200 PolarHBondContact O-N 3.04Å
198	N	96.1	Very high	94.7	Very high	52 Å²	52	61.5 Å²	61.5	28%	0.278	28%	0.282	S	S	.	.	H	α-helix	trans	-58.7	-43.5	177.8	-75.7	4.7	0	0	0	112.8	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.35Å; W75-N198 WeakPolarHBondContact CB-O 3.2Å; Q78-N198 PolarHBondContact NE2-ND2 3.08Å; E79-N198 PolarHBondContact OE1-ND2 2.81Å; R194-N198 VanDerWaalsContact O-CB 3.29Å; R194-N198 WeakPolarHBondContact O-CB 3.43Å; R194-N198 PolarHBondContact O-N 2.96Å; R194-N198 PolarHBondContact O-OD1 3.34Å; Y195-N198 PolarHBondContact O-N 2.92Å
199	G	95	Very high	94.6	Very high	2 Å²	2	61.9 Å²	61.9	2%	0.021	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	24.3	-175	0	0	0	0	0	113.2	W75 Y195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CG-CA 3.44Å; Y195-G199 WeakPolarHBondContact O-CA 3.39Å; Y195-G199 PolarHBondContact O-N 2.84Å; E197-G199 VanDerWaalsContact C-N 3.35Å; E197-G199 PolarHBondContact O-N 3.35Å; G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 3.28Å; G199-T202 PolarHBondContact O-N 3.1Å; G199-T202 PolarHBondContact O-OG1 2.97Å; G199-L203 WeakPolarHBondContact O-CB 3.41Å; G199-L203 WeakPolarHBondContact O-CG 3.44Å; G199-L203 PolarHBondContact O-N 3.06Å
200	K	93.1	Very high	94.6	Very high	102 Å²	102	68.5 Å²	68.5	44%	0.443	31%	0.313	S	S	.	.	H	α-helix	trans	-52	-45	-171.7	-177.4	168.2	-170.8	168.4	0	114	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CA 3.36Å; L196-K200 WeakPolarHBondContact O-CB 2.98Å; L196-K200 PolarHBondContact O-N 3.14Å; E197-K200 WeakPolarHBondContact O-CB 3.37Å; E197-K200 PolarHBondContact O-N 3.04Å; K200-T202 PolarHBondContact O-N 2.92Å; K200-Q204 HydrophobicContact CG-CB 4.48Å; K200-Q204 HydrophobicContact CG-CG 4.47Å; K200-Q204 WeakPolarHBondContact O-CB 3.47Å; K200-Q204 PolarHBondContact O-N 2.83Å; K200-Q204 VanDerWaalsContact O-N 3.08Å
201	E	90.3	Very high	94.6	Very high	181 Å²	181	65.5 Å²	65.5	85%	0.846	30%	0.301	S	S	*	.	H	α-helix	trans	-64.5	-24.8	179.7	-60.2	-174.3	163.2	0	0	113.5	G199	G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 3.28Å
202	T	89.8	Confident	94.6	Very high	39 Å²	39	67.3 Å²	67.3	24%	0.239	31%	0.311	C	S	.	.	H	α-helix	trans	-103.1	-32.3	-177.3	45.2	0	0	0	0	114	W75 G199 K200 R205	W75-T202 PolarHBondContact NE1-OG1 3.02Å; G199-T202 PolarHBondContact O-N 3.1Å; G199-T202 PolarHBondContact O-OG1 2.97Å; K200-T202 PolarHBondContact O-N 2.92Å; T202-R205 WeakPolarHBondContact O-CG 3.44Å; T202-R205 PolarHBondContact O-NE 2.77Å; T202-R205 VanDerWaalsContact O-NE 3.12Å
203	L	91.5	Very high	94.6	Very high	4 Å²	4	68.4 Å²	68.4	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-98.1	-32.6	-172.7	-63	172.3	0	0	0	112.8	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.31Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.92Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; T55-L203 HydrophobicContact CG2-CD2 4.04Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.23Å; W75-L203 HydrophobicContact CZ2-CD1 3.79Å; W75-L203 HydrophobicContact CZ2-CD2 4.03Å; W75-L203 HydrophobicContact CZ2-CG 4.29Å; Y195-L203 WeakPolarHBondContact O-CD1 3.31Å; L196-L203 HydrophobicContact CD2-CB 4.16Å; L196-L203 HydrophobicContact CD2-CD1 4.34Å; G199-L203 WeakPolarHBondContact O-CB 3.41Å; G199-L203 WeakPolarHBondContact O-CG 3.44Å; G199-L203 PolarHBondContact O-N 3.06Å
204	Q	89.3	Confident	94.6	Very high	91 Å²	91	64.2 Å²	64.2	43%	0.425	31%	0.306	S	S	.	.	S	Bend	trans	-99.3	21.2	178.1	-56.6	177.2	31.6	0	0	111.9	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.95Å; K200-Q204 HydrophobicContact CG-CB 4.48Å; K200-Q204 HydrophobicContact CG-CG 4.47Å; K200-Q204 WeakPolarHBondContact O-CB 3.47Å; K200-Q204 PolarHBondContact O-N 2.83Å; K200-Q204 VanDerWaalsContact O-N 3.08Å
205	R	90.2	Very high	94.5	Very high	87 Å²	87	61 Å²	61	33%	0.328	30%	0.296	S	S	.	.			trans	-92.8	147.3	170.4	74.8	-173.1	172	168.7	3.9	109.4	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CG 3.44Å; T202-R205 PolarHBondContact O-NE 2.77Å; T202-R205 VanDerWaalsContact O-NE 3.12Å; R205-E207 IonicContact CZ-OE1 3.51Å; R205-E207 IonicContact NE-OE1 3.54Å; R205-E207 IonicContact NH1-OE1 2.58Å; R205-E207 PolarHBondContact NH1-OE1 2.99Å; R205-E207 IonicContact NH2-OE1 3.28Å; R205-Y233 HydrophobicContact CG-CD1 4.13Å; R205-Y233 WeakPolarHBondContact O-CD1 3.37Å
206	A	92.3	Very high	94.4	Very high	40 Å²	40	64.7 Å²	64.7	33%	0.331	31%	0.313	S	S	.	.			trans	-120.2	121.1	163.7	0	0	0	0	0	108.9	Y233 G289	A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 VanDerWaalsContact CA-O 3.31Å; A206-Y233 WeakPolarHBondContact CA-O 3.4Å; A206-G289 VanDerWaalsContact CB-CA 3.5Å
207	E	94.2	Very high	94.3	Very high	60 Å²	60	68.8 Å²	68.8	28%	0.28	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-98	118.7	175.5	-67.5	-170.1	-144	0	0	109	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.51Å; R205-E207 IonicContact NE-OE1 3.54Å; R205-E207 IonicContact NH1-OE1 2.58Å; R205-E207 PolarHBondContact NH1-OE1 2.99Å; R205-E207 IonicContact NH2-OE1 3.28Å; E207-F232 WeakPolarHBondContact O-CA 3.42Å; E207-F232 VanDerWaalsContact O-CB 3.27Å; E207-F232 WeakPolarHBondContact O-CB 3.3Å; E207-Y233 PolarHBondContact N-O 3.47Å; E207-Y233 PolarHBondContact O-N 2.94Å; E207-Y233 VanDerWaalsContact O-N 3.13Å; E207-H287 PolarHBondContact O-CE1 3.04Å
208	H	95.1	Very high	94.1	Very high	102 Å²	102	67.2 Å²	67.2	47%	0.472	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-68.3	142.3	-176.9	-45.9	-96	0	0	0	112.1	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.92Å; H208-G289 PolarHBondContact CE1-O 3.28Å; H208-G289 PolarHBondContact ND1-O 3.07Å; H208-L290 HydrophobicContact CB-CD2 4.1Å
209	P	97.6	Very high	93.9	Very high	8 Å²	8	67.2 Å²	67.2	5%	0.052	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-65.3	129.4	176.3	27.1	-35.4	0	0	0	112.5	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.95Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 2.78Å; P209-A229 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CB 3.95Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.18Å; P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; P209-V285 HydrophobicContact CG-CG1 3.96Å; P209-H287 HydrophobicContact CG-CB 4.15Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.39Å; P209-L290 HydrophobicContact CG-CG 4.19Å
210	K	97.8	Very high	93.5	Very high	148 Å²	148	74.3 Å²	74.3	64%	0.643	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	98	167.8	-64.6	165	-168	158.8	0	108.2	H208 L230	H208-K210 PolarHBondContact O-N 2.92Å; K210-L230 WeakPolarHBondContact CB-O 3.36Å; K210-L230 PolarHBondContact N-O 3.45Å; K210-L230 PolarHBondContact O-N 3.12Å
211	T	97.8	Very high	93.5	Very high	34 Å²	34	76.5 Å²	76.5	21%	0.209	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	140.7	-170.9	58.2	0	0	0	0	114.3	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.95Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 2.78Å; T211-W228 WeakPolarHBondContact CA-O 3.41Å; T211-A229 HydrophobicContact CG2-CB 4.39Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.11Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; T211-L294 HydrophobicContact CG2-CD1 4.22Å; T211-L296 HydrophobicContact CG2-CD1 4.08Å
212	H	97.1	Very high	93.7	Very high	80 Å²	80	72.4 Å²	72.4	37%	0.37	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	161.9	170.3	65.2	-75	0	0	0	111.5	W228	H212-W228 VanDerWaalsContact CE1-CB 3.49Å; H212-W228 WeakPolarHBondContact CE1-CB 3.5Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 3Å; H212-W228 AromaticContact NE2-CD1 3.55Å; H212-W228 AromaticContact NE2-CG 3.8Å; H212-W228 PolarHBondContact O-N 3.25Å
213	V	97.9	Very high	94	Very high	24 Å²	24	70.6 Å²	70.6	15%	0.145	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.7	176.6	179.4	0	0	0	0	109.5	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; V213-R226 CarbonylContact C-O 3.55Å; V213-R226 WeakPolarHBondContact CA-O 3.43Å; V213-C227 HydrophobicContact CG2-CB 4.37Å; V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; V213-L296 HydrophobicContact CG2-CB 3.96Å; V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.83Å
214	T	96.6	Very high	94.2	Very high	35 Å²	35	71.5 Å²	71.5	22%	0.215	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	151.5	170.2	63.5	0	0	0	0	110.7	H216 L225 R226 W228	T214-H216 WeakPolarHBondContact CB-NE2 3.35Å; T214-H216 PolarHBondContact OG1-NE2 3Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; T214-R226 PolarHBondContact N-O 2.88Å; T214-R226 PolarHBondContact O-N 2.9Å; T214-W228 PolarHBondContact OG1-NE1 2.91Å
215	H	95.6	Very high	94.6	Very high	53 Å²	53	67.2 Å²	67.2	25%	0.245	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.3	179.8	166.7	-88.8	0	0	0	108.9	A223 L225 W298	H215-A223 VanDerWaalsContact NE2-CB 3.27Å; H215-A223 WeakPolarHBondContact NE2-CB 3.32Å; H215-L225 HydrophobicContact CB-CD2 3.96Å; H215-W298 HydrophobicContact CB-CD2 4.12Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 4.07Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.81Å; H215-W298 AromaticContact ND1-CZ2 3.97Å
216	H	94.3	Very high	95	Very high	78 Å²	78	65.3 Å²	65.3	36%	0.361	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	104.4	-177.2	-56.1	-79.9	0	0	0	108.9	T214 V218 A223 T224 R226	T214-H216 WeakPolarHBondContact CB-NE2 3.35Å; T214-H216 PolarHBondContact OG1-NE2 3Å; H216-V218 PolarHBondContact O-N 2.9Å; H216-A223 CarbonylContact O-C 3.52Å; H216-A223 WeakPolarHBondContact O-CA 3.26Å; H216-T224 PolarHBondContact N-O 3.37Å; H216-T224 PolarHBondContact O-N 2.87Å; H216-R226 PolarHBondContact CD2-NH1 3.13Å; H216-R226 PolarHBondContact NE2-NH1 3.15Å
217	P	93.5	Very high	95.3	Very high	99 Å²	99	63.4 Å²	63.4	64%	0.643	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.3	132.9	172.7	-20.8	31.2	0	0	0	110.6
218	V	91	Very high	95.5	Very high	92 Å²	92	63.1 Å²	63.1	56%	0.558	32%	0.322	S	S	*	.			trans	-106.7	-40.4	176.1	-178.2	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 2.9Å; V218-E222 PolarHBondContact N-O 2.87Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.27Å
219	S	91.1	Very high	95.6	Very high	52 Å²	52	58.3 Å²	58.3	36%	0.364	30%	0.299	S	S	.	.	S	Bend	trans	-145.9	-177.7	172.9	72.4	0	0	0	0	110.2	H221 E222	S219-H221 PolarHBondContact O-N 2.84Å; S219-H221 PolarHBondContact OG-N 3.36Å; S219-H221 VanDerWaalsContact OG-N 3.13Å; S219-E222 PolarHBondContact N-O 2.86Å; S219-E222 PolarHBondContact OG-N 2.85Å; S219-E222 VanDerWaalsContact OG-N 3.13Å
220	D	88.6	Confident	95.7	Very high	152 Å²	152	60.5 Å²	60.5	81%	0.813	31%	0.31	S	S	*	.	S	Bend	trans	-63.9	-20.4	171	-64.5	-30.1	0	0	0	112.5	S275	D220-S275 WeakPolarHBondContact O-CB 3.23Å; D220-S275 PolarHBondContact O-OG 3.37Å
221	H	92	Very high	95.6	Very high	147 Å²	147	54.1 Å²	54.1	68%	0.681	29%	0.286	S	S	*	.	S	Bend	trans	-105.7	-16.1	-174.6	-55.7	-42.5	0	0	0	114.1	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.84Å; S219-H221 PolarHBondContact OG-N 3.36Å; S219-H221 VanDerWaalsContact OG-N 3.13Å; H221-P274 WeakPolarHBondContact O-CA 3.48Å; H221-S275 PolarHBondContact O-N 3.06Å; H221-S275 PolarHBondContact O-OG 2.89Å
222	E	94.6	Very high	95.6	Very high	96 Å²	96	52.5 Å²	52.5	45%	0.449	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	142.2	-171.3	-66.6	177.2	171.9	0	0	112.6	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.87Å; S219-E222 PolarHBondContact N-O 2.86Å; S219-E222 PolarHBondContact OG-N 2.85Å; S219-E222 VanDerWaalsContact OG-N 3.13Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.35Å; E222-S275 PolarHBondContact N-OG 3.2Å
223	A	95.4	Very high	95.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	154	170.7	0	0	0	0	0	111	H215 H216 V273	H215-A223 VanDerWaalsContact NE2-CB 3.27Å; H215-A223 WeakPolarHBondContact NE2-CB 3.32Å; H216-A223 CarbonylContact O-C 3.52Å; H216-A223 WeakPolarHBondContact O-CA 3.26Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 2.9Å; A223-V273 PolarHBondContact O-N 3.46Å
224	T	97	Very high	95.4	Very high	23 Å²	23	48.6 Å²	48.6	14%	0.141	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.5	168.4	-51	0	0	0	0	109.7	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.37Å; H216-T224 PolarHBondContact O-N 2.87Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.27Å; T224-A270 HydrophobicContact CG2-CB 3.87Å; T224-V271 WeakPolarHBondContact CA-O 3.42Å
225	L	97.6	Very high	95.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	128.5	163.3	-64.2	-175.5	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; H215-L225 HydrophobicContact CB-CD2 3.96Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.74Å; L225-W241 HydrophobicContact CD1-CH2 3.97Å; L225-W241 HydrophobicContact CD1-CZ3 4.17Å; L225-W241 HydrophobicContact CG-CH2 4.49Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.4Å; L225-V271 HydrophobicContact CB-CG1 4.26Å; L225-V271 PolarHBondContact N-O 2.89Å; L225-V271 PolarHBondContact O-N 3.24Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.13Å; L225-V273 HydrophobicContact CG-CG1 4.11Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.41Å; L225-E278 HydrophobicContact CD2-CG 4.41Å; L225-W298 HydrophobicContact CD1-CB 4.48Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.45Å; L225-W298 HydrophobicContact CD2-CG 4.03Å
226	R	98.1	Very high	95.3	Very high	48 Å²	48	50.4 Å²	50.4	18%	0.181	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115.8	175.3	-176.8	178.1	-69.2	107.8	1.3	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.55Å; V213-R226 WeakPolarHBondContact CA-O 3.43Å; T214-R226 PolarHBondContact N-O 2.88Å; T214-R226 PolarHBondContact O-N 2.9Å; H216-R226 PolarHBondContact CD2-NH1 3.13Å; H216-R226 PolarHBondContact NE2-NH1 3.15Å; R226-W228 VanDerWaalsContact CD-CE2 3.44Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.4Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.05Å; R226-W268 HydrophobicContact CG-CE3 3.81Å; R226-W268 HydrophobicContact CG-CG 4.19Å; R226-A269 WeakPolarHBondContact CA-O 3.37Å; R226-A270 HydrophobicContact CB-CB 4.03Å; R226-A270 HydrophobicContact CG-CB 4.1Å
227	C	98.2	Very high	95.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.5	174	-171.7	0	0	0	0	109.4	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.37Å; C227-W241 HydrophobicContact CB-CH2 4.43Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.49Å; C227-W268 WeakPolarHBondContact O-CA 3.49Å; C227-W268 WeakPolarHBondContact O-CB 3.28Å; C227-A269 PolarHBondContact N-O 3.17Å; C227-A269 PolarHBondContact O-N 2.8Å; C227-C283 HydrophobicContact CB-CB 3.49Å; C227-C283 VanDerWaalsContact CB-CB 3.49Å; C227-C283 WeakPolarHBondContact CB-SG 3.4Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 3.48Å
228	W	98.4	Very high	95.6	Very high	54 Å²	54	44.4 Å²	44.4	21%	0.205	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141.4	179.4	-67.3	87.5	0	0	0	110.7	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.41Å; H212-W228 VanDerWaalsContact CE1-CB 3.49Å; H212-W228 WeakPolarHBondContact CE1-CB 3.5Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 3Å; H212-W228 AromaticContact NE2-CD1 3.55Å; H212-W228 AromaticContact NE2-CG 3.8Å; H212-W228 PolarHBondContact O-N 3.25Å; T214-W228 PolarHBondContact OG1-NE1 2.91Å; R226-W228 VanDerWaalsContact CD-CE2 3.44Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.4Å; W228-L230 HydrophobicContact CE3-CD2 3.98Å; W228-W268 HydrophobicContact CD2-CB 4Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.76Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.74Å; W228-W268 HydrophobicContact CH2-CG 4.37Å; W228-W268 HydrophobicContact CZ3-CB 4.38Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å
229	A	98.4	Very high	95.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.2	160.8	0	0	0	0	0	108	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.83Å; T211-A229 HydrophobicContact CG2-CB 4.39Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.75Å; A229-F232 WeakPolarHBondContact O-CE1 3.4Å; A229-I237 HydrophobicContact CB-CD1 3.76Å; A229-L239 HydrophobicContact CB-CD1 3.99Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; A229-Q266 WeakPolarHBondContact O-CA 3.34Å; A229-K267 PolarHBondContact N-O 3.25Å; A229-K267 PolarHBondContact O-N 3.41Å
230	L	98.1	Very high	96.1	Very high	54 Å²	54	39.7 Å²	39.7	28%	0.283	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144.2	-174.6	-60	176.6	0	0	0	110.9	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.36Å; K210-L230 PolarHBondContact N-O 3.45Å; K210-L230 PolarHBondContact O-N 3.12Å; W228-L230 HydrophobicContact CE3-CD2 3.98Å; L230-Q266 HydrophobicContact CD2-CB 3.6Å
231	G	97.1	Very high	96.6	Very high	14 Å²	14	32.5 Å²	32.5	14%	0.144	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.6	43.1	169.3	0	0	0	0	0	113.4	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.49Å; G231-F265 PolarHBondContact N-O 3.49Å
232	F	96.9	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	156.9	178	58.2	-91	0	0	0	112.7	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.42Å; E207-F232 VanDerWaalsContact O-CB 3.27Å; E207-F232 WeakPolarHBondContact O-CB 3.3Å; P209-F232 HydrophobicContact CB-CB 3.95Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.18Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.75Å; A229-F232 WeakPolarHBondContact O-CE1 3.4Å; F232-P234 WeakPolarHBondContact CD2-O 3.47Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.33Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.49Å; F232-I237 HydrophobicContact CE2-CB 3.79Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.19Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.56Å; F232-T257 HydrophobicContact CE2-CG2 4.1Å; F232-T257 HydrophobicContact CZ-CG2 3.98Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.49Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.9Å; F232-F265 HydrophobicContact CE1-CB 4.39Å; F232-F265 WeakPolarHBondContact CE1-O 3.16Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.73Å; F232-F265 PolarHBondContact N-O 2.83Å; F232-F265 PolarHBondContact O-N 2.92Å; F232-K267 HydrophobicContact CE1-CB 4.44Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.96Å; F232-H287 AromaticContact CD2-NE2 3.77Å
233	Y	95.3	Very high	96.8	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.012	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-152.4	136.3	174.6	179.2	-83.7	0	0	0	108.7	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.04Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.46Å; T55-Y233 PolarHBondContact OG1-OH 3.31Å; R205-Y233 HydrophobicContact CG-CD1 4.13Å; R205-Y233 WeakPolarHBondContact O-CD1 3.37Å; A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 VanDerWaalsContact CA-O 3.31Å; A206-Y233 WeakPolarHBondContact CA-O 3.4Å; E207-Y233 PolarHBondContact N-O 3.47Å; E207-Y233 PolarHBondContact O-N 2.94Å; E207-Y233 VanDerWaalsContact O-N 3.13Å; Y233-G263 WeakPolarHBondContact CD2-O 3.46Å; Y233-F265 HydrophobicContact CD2-CD2 4.43Å; Y233-F265 HydrophobicContact CD2-CE2 4.03Å; Y233-F265 HydrophobicContact CE2-CE2 4.46Å; Y233-H287 PolarHBondContact O-CE1 3.26Å
234	P	95	Very high	96.7	Very high	19 Å²	19	31.2 Å²	31.2	12%	0.123	16%	0.158	C	C	.	.	S	Bend	cis	-69	177.3	0.7	29.6	-36.7	0	0	0	113.3	D54 F232 E236 H287 E288	D54-P234 WeakPolarHBondContact OD2-CB 3.31Å; F232-P234 WeakPolarHBondContact CD2-O 3.47Å; P234-E236 VanDerWaalsContact C-N 3.35Å; P234-H287 PolarHBondContact O-NE2 3.01Å; P234-E288 WeakPolarHBondContact CG-OE2 3.44Å
235	A	95.9	Very high	96.3	Very high	12 Å²	12	32.4 Å²	32.4	10%	0.099	18%	0.175	C	C	.	.	S	Bend	trans	-71.3	-26.9	-175.4	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.26Å; D54-A235 VanDerWaalsContact CG-CB 3.42Å; D54-A235 VanDerWaalsContact OD2-CB 3.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.45Å; D54-A235 PolarHBondContact OD2-N 2.91Å; A235-I237 PolarHBondContact O-N 2.81Å; A235-T257 HydrophobicContact CB-CG2 4.31Å; A235-T257 WeakPolarHBondContact O-CG2 3.29Å; A235-F265 HydrophobicContact CB-CD1 3.64Å; A235-F265 HydrophobicContact CB-CD2 3.64Å; A235-F265 HydrophobicContact CB-CE1 3.67Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.64Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	95.1	Very high	96.1	Very high	114 Å²	114	38.7 Å²	38.7	53%	0.533	20%	0.204	S	C	.	.			trans	-68.2	120.3	-178	-167.9	61.1	-140.2	0	0	110.2	W23 P234 H287	W23-E236 HydrophobicContact CE3-CG 4.12Å; W23-E236 HydrophobicContact CH2-CB 4.38Å; W23-E236 HydrophobicContact CH2-CG 3.36Å; W23-E236 HydrophobicContact CZ2-CG 3.9Å; W23-E236 HydrophobicContact CZ3-CB 4.01Å; W23-E236 HydrophobicContact CZ3-CG 3.47Å; W23-E236 VanDerWaalsContact CZ3-CG 3.47Å; P234-E236 VanDerWaalsContact C-N 3.35Å; E236-H287 PolarHBondContact O-CD2 2.85Å; E236-H287 VanDerWaalsContact O-CD2 3.3Å
237	I	95.9	Very high	95.8	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	22%	0.219	C	C	.	.			trans	-155	139.5	-173.7	-165	172.4	0	0	0	110.2	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; A229-I237 HydrophobicContact CB-CD1 3.76Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.33Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.49Å; F232-I237 HydrophobicContact CE2-CB 3.79Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.19Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.56Å; A235-I237 PolarHBondContact O-N 2.81Å; I237-L239 HydrophobicContact CD1-CD1 3.72Å; I237-L239 HydrophobicContact CG1-CD1 3.73Å; I237-L239 HydrophobicContact CG2-CD1 4.19Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; I237-V285 HydrophobicContact CD1-CG1 4.05Å; I237-V285 HydrophobicContact CG1-CG1 4.39Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.15Å; I237-H287 HydrophobicContact CD1-CB 4.27Å; I237-H287 HydrophobicContact CG1-CB 4.04Å
238	T	96.8	Very high	95.6	Very high	46 Å²	46	42.2 Å²	42.2	28%	0.282	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.6	174.9	-63.3	0	0	0	0	110.4	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.08Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; T238-Q286 PolarHBondContact N-O 2.92Å; T238-Q286 PolarHBondContact O-N 2.64Å
239	L	97.4	Very high	95	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.3	171.2	-88.7	62.9	0	0	0	108.2	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 3.99Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; I237-L239 HydrophobicContact CD1-CD1 3.72Å; I237-L239 HydrophobicContact CG1-CD1 3.73Å; I237-L239 HydrophobicContact CG2-CD1 4.19Å; L239-L254 HydrophobicContact CB-CD1 4.11Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; L239-H284 WeakPolarHBondContact CA-O 3.45Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.44Å; L239-V285 HydrophobicContact CG-CG2 4.26Å
240	T	97	Very high	94.4	Very high	39 Å²	39	53.7 Å²	53.7	24%	0.239	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	148.2	175.7	52	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.08Å; T240-C283 CarbonylContact O-C 3.58Å; T240-C283 WeakPolarHBondContact O-CA 3.48Å; T240-H284 PolarHBondContact N-O 3.18Å; T240-H284 PolarHBondContact O-N 2.81Å
241	W	97.8	Very high	93.8	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.8	168	-82	107.3	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.74Å; L225-W241 HydrophobicContact CD1-CH2 3.97Å; L225-W241 HydrophobicContact CD1-CZ3 4.17Å; L225-W241 HydrophobicContact CG-CH2 4.49Å; C227-W241 HydrophobicContact CB-CH2 4.43Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 3.48Å; W241-A269 PolarHBondContact NE1-O 3.32Å; W241-V271 HydrophobicContact CB-CG1 4.33Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 4.09Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.71Å; W241-V271 HydrophobicContact CZ2-CG1 4.3Å; W241-T282 CarbonylContact C-O 3.54Å; W241-T282 WeakPolarHBondContact CA-O 3.19Å; W241-C283 HydrophobicContact CD2-CB 4.07Å; W241-C283 HydrophobicContact CE3-CB 3.96Å; W241-C283 HydrophobicContact CH2-CB 3.94Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.89Å
242	Q	97	Very high	93.7	Very high	36 Å²	36	56.9 Å²	56.9	17%	0.168	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.1	173.1	-73.3	-176.4	-7.1	0	0	110.8	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.58Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.25Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.24Å; Q242-D247 PolarHBondContact NE2-OD1 3Å; Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.32Å; Q242-Y281 WeakPolarHBondContact O-CA 3.47Å; Q242-T282 PolarHBondContact N-O 2.9Å; Q242-T282 PolarHBondContact O-N 3.22Å; Q242-T282 PolarHBondContact O-OG1 3.5Å; Q242-H284 VanDerWaalsContact CB-NE2 3.29Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.37Å; Q242-H284 PolarHBondContact OE1-NE2 3.42Å
243	W	95.1	Very high	93.6	Very high	77 Å²	77	62.3 Å²	62.3	29%	0.292	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.1	170.9	177.5	75.5	0	0	0	108.4	G245 E246 Q248 E277 R280 Y281	W243-G245 PolarHBondContact O-N 3.13Å; W243-E246 PolarHBondContact N-O 3.05Å; W243-E246 PolarHBondContact O-N 3.22Å; W243-Q248 HydrophobicContact CB-CG 3.95Å; W243-E277 PolarHBondContact NE1-OE2 3.47Å; W243-R280 VanDerWaalsContact CE2-CZ 3.43Å; W243-R280 VanDerWaalsContact CZ2-CZ 3.41Å; W243-Y281 HydrophobicContact CB-CD1 4.19Å; W243-Y281 HydrophobicContact CB-CE1 3.96Å; W243-Y281 AromaticContact CD1-CD2 3.94Å; W243-Y281 AromaticContact CD1-CE1 3.9Å; W243-Y281 AromaticContact CD1-CE2 3.48Å; W243-Y281 VanDerWaalsContact CD1-CE2 3.48Å; W243-Y281 AromaticContact CD1-CZ 3.46Å; W243-Y281 VanDerWaalsContact CD1-CZ 3.46Å; W243-Y281 HydrophobicContact CG-CE1 4.21Å; W243-Y281 HydrophobicContact CG-CE2 4.49Å; W243-Y281 AromaticContact NE1-CE2 3.97Å
244	D	92.6	Very high	93.7	Very high	104 Å²	104	66.4 Å²	66.4	56%	0.556	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	22.8	-172.3	-68.4	-22.2	0	0	0	115.6	R280	D244-R280 PolarHBondContact N-O 3.46Å; D244-R280 VanDerWaalsContact N-O 3.12Å; D244-R280 IonicContact OD1-NE 3.87Å; D244-R280 IonicContact OD2-CZ 2.8Å; D244-R280 IonicContact OD2-NE 3.65Å; D244-R280 PolarHBondContact OD2-NE 3.45Å; D244-R280 IonicContact OD2-NH2 2.68Å; D244-R280 PolarHBondContact OD2-NH2 2.98Å
245	G	88.9	Confident	93.8	Very high	47 Å²	47	67.1 Å²	67.1	49%	0.485	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.6	-1.9	-179.6	0	0	0	0	0	115.5	W243	W243-G245 PolarHBondContact O-N 3.13Å
246	E	92.9	Very high	93.8	Very high	132 Å²	132	74.7 Å²	74.7	62%	0.617	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.4	176.2	-61.8	-169.8	164.2	0	0	111.6	Q242 W243 Q248	Q242-E246 CarbonylContact C-O 3.58Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.25Å; W243-E246 PolarHBondContact N-O 3.05Å; W243-E246 PolarHBondContact O-N 3.22Å; E246-Q248 PolarHBondContact O-N 3.02Å; E246-Q248 PolarHBondContact O-NE2 3.28Å
247	D	92.7	Very high	93.9	Very high	92 Å²	92	71.5 Å²	71.5	49%	0.492	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	129.2	-177.5	-67.6	-34.8	0	0	0	112.7	Q242 T249	Q242-D247 WeakPolarHBondContact CG-OD1 3.24Å; Q242-D247 PolarHBondContact NE2-OD1 3Å; D247-T249 PolarHBondContact O-N 2.83Å
248	Q	92.8	Very high	94	Very high	31 Å²	31	76 Å²	76	15%	0.145	39%	0.393	C	S	.	.			trans	-99.5	41	-175.3	-57.4	-60.7	-71	0	0	112.3	W241 W243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 3.48Å; W243-Q248 HydrophobicContact CB-CG 3.95Å; E246-Q248 PolarHBondContact O-N 3.02Å; E246-Q248 PolarHBondContact O-NE2 3.28Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.35Å; Q248-D251 PolarHBondContact O-N 3.23Å; Q248-T252 WeakPolarHBondContact O-CB 3.27Å; Q248-T252 PolarHBondContact O-N 3.18Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 3.18Å; Q248-Y281 HydrophobicContact CG-CE1 4.4Å
249	T	86.5	Confident	94	Very high	105 Å²	105	78.1 Å²	78.1	64%	0.644	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-31.3	-166.9	-47.5	0	0	0	0	114.3	D247	D247-T249 PolarHBondContact O-N 2.83Å
250	Q	86.6	Confident	93.9	Very high	189 Å²	189	80.2 Å²	80.2	88%	0.883	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-34.4	-179.6	-64.9	-172.8	9.5	0	0	112.7	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.35Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	85.6	Confident	93.7	Very high	113 Å²	113	82 Å²	82	60%	0.604	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	3.3	-178.1	-51.9	-72.3	0	0	0	112.9	Q248	Q248-D251 PolarHBondContact O-N 3.23Å
252	T	93.7	Very high	93.4	Very high	23 Å²	23	87.4 Å²	87.4	14%	0.141	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.4	177.7	-64.6	0	0	0	0	111.6	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.27Å; Q248-T252 PolarHBondContact O-N 3.18Å; Q248-T252 VanDerWaalsContact O-N 3.13Å; Q248-T252 PolarHBondContact O-OG1 3.18Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.32Å; T252-L254 PolarHBondContact O-N 3.08Å; T252-L254 VanDerWaalsContact O-N 3.17Å; T252-A269 HydrophobicContact CG2-CB 3.89Å; T252-A270 CarbonylContact C-O 3.6Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.35Å
253	E	96.1	Very high	93.1	Very high	113 Å²	113	87.6 Å²	87.6	53%	0.528	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	100.3	162.8	-174.6	-171.9	-162.9	0	0	109.1	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.31Å; E253-W268 HydrophobicContact CG-CH2 4.01Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 VanDerWaalsContact OE2-CH2 3.28Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.44Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.47Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.5Å; E253-A270 HydrophobicContact CB-CB 4.36Å; E253-A270 PolarHBondContact N-O 2.83Å; E253-A270 PolarHBondContact O-N 3.49Å
254	L	96.4	Very high	93.2	Very high	90 Å²	90	84.3 Å²	84.3	47%	0.471	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.3	177.1	-174.7	68.8	0	0	0	110.4	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.11Å; T252-L254 HydrophobicContact CG2-CB 4.32Å; T252-L254 PolarHBondContact O-N 3.08Å; T252-L254 VanDerWaalsContact O-N 3.17Å; L254-K267 HydrophobicContact CD1-CD 4.49Å; L254-A269 HydrophobicContact CD1-CB 3.72Å
255	V	96.4	Very high	93.5	Very high	33 Å²	33	80.6 Å²	80.6	20%	0.2	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-84.3	153.6	176.2	-58.3	0	0	0	0	112.6	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 WeakPolarHBondContact O-CE 3.14Å; V255-K267 WeakPolarHBondContact O-CG 3.38Å; V255-K267 PolarHBondContact O-NZ 2.97Å; V255-W268 HydrophobicContact CG1-CD2 3.92Å; V255-W268 VanDerWaalsContact CG1-CE2 3.45Å; V255-W268 HydrophobicContact CG1-CE3 4.16Å; V255-W268 HydrophobicContact CG1-CH2 3.64Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.02Å; V255-W268 HydrophobicContact CG2-CD2 3.95Å; V255-W268 HydrophobicContact CG2-CG 3.89Å; V255-W268 PolarHBondContact N-O 2.88Å
256	E	96.3	Very high	93.9	Very high	172 Å²	172	80.4 Å²	80.4	80%	0.804	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-55.5	146.9	166.6	-67.2	-175.9	169	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 3.39Å
257	T	97.6	Very high	94.2	Very high	46 Å²	46	75.2 Å²	75.2	28%	0.282	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-68.9	130	173.9	-54.8	0	0	0	0	108.3	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.1Å; F232-T257 HydrophobicContact CZ-CG2 3.98Å; A235-T257 HydrophobicContact CB-CG2 4.31Å; A235-T257 WeakPolarHBondContact O-CG2 3.29Å; T257-F265 HydrophobicContact CG2-CB 3.86Å; T257-F265 HydrophobicContact CG2-CD1 4Å; T257-F265 HydrophobicContact CG2-CG 4.22Å; T257-K267 WeakPolarHBondContact OG1-CD 3.38Å; T257-K267 PolarHBondContact OG1-NZ 2.88Å
258	R	97	Very high	94.4	Very high	100 Å²	100	72 Å²	72	38%	0.377	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.2	-175.8	69.8	-164.2	-177.4	-174.9	3.7	111.2	E256 Q266	E256-R258 PolarHBondContact O-N 3.39Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 3.38Å; R258-Q266 VanDerWaalsContact O-CG 3.31Å; R258-Q266 WeakPolarHBondContact O-CG 3.41Å; R258-Q266 PolarHBondContact O-N 3.43Å
259	P	96.9	Very high	94.7	Very high	91 Å²	91	70.6 Å²	70.6	59%	0.591	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	149.7	176.7	27.8	-34.7	0	0	0	111.2	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.45Å; P259-F265 HydrophobicContact CB-CE1 4.2Å; P259-Q266 PolarHBondContact O-NE2 3.45Å
260	A	96.3	Very high	95.2	Very high	50 Å²	50	65.7 Å²	65.7	41%	0.413	37%	0.366	S	S	.	.			trans	-89.4	-21.7	170.3	0	0	0	0	0	112.6	D262 T264 Q266	A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; A260-T264 WeakPolarHBondContact CB-O 3.42Å; A260-T264 PolarHBondContact N-O 3.42Å; A260-Q266 HydrophobicContact CB-CG 4.45Å
261	G	92.6	Very high	95.7	Very high	77 Å²	77	56.8 Å²	56.8	79%	0.794	33%	0.325	S	S	*	.	S	Bend	trans	99.7	-4.2	178.4	0	0	0	0	0	115
262	D	92.3	Very high	96.2	Very high	114 Å²	114	55 Å²	55	61%	0.61	32%	0.318	S	S	*	.	S	Bend	trans	-105.9	12.5	176.2	58.9	3.1	0	0	0	113	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; D262-T264 WeakPolarHBondContact OD1-CB 3.16Å; D262-T264 PolarHBondContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 3.24Å
263	G	91	Very high	96.3	Very high	41 Å²	41	54 Å²	54	42%	0.423	31%	0.312	S	S	.	.	S	Bend	trans	89.7	-5.7	-171.9	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.46Å
264	T	96.2	Very high	96.3	Very high	8 Å²	8	51 Å²	51	5%	0.049	30%	0.303	C	S	.	.			trans	-102.2	171.4	175.8	75.9	0	0	0	0	112.7	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.49Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.49Å; A260-T264 WeakPolarHBondContact CB-O 3.42Å; A260-T264 PolarHBondContact N-O 3.42Å; D262-T264 WeakPolarHBondContact OD1-CB 3.16Å; D262-T264 PolarHBondContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 3.24Å
265	F	97.9	Very high	96	Very high	26 Å²	26	49.5 Å²	49.5	11%	0.114	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	163.3	-176.9	-65.3	-85.8	0	0	0	112.7	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.75Å; G231-F265 PolarHBondContact N-O 3.49Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.9Å; F232-F265 HydrophobicContact CE1-CB 4.39Å; F232-F265 WeakPolarHBondContact CE1-O 3.16Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.73Å; F232-F265 PolarHBondContact N-O 2.83Å; F232-F265 PolarHBondContact O-N 2.92Å; Y233-F265 HydrophobicContact CD2-CD2 4.43Å; Y233-F265 HydrophobicContact CD2-CE2 4.03Å; Y233-F265 HydrophobicContact CE2-CE2 4.46Å; A235-F265 HydrophobicContact CB-CD1 3.64Å; A235-F265 HydrophobicContact CB-CD2 3.64Å; A235-F265 HydrophobicContact CB-CE1 3.67Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.64Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.86Å; T257-F265 HydrophobicContact CG2-CD1 4Å; T257-F265 HydrophobicContact CG2-CG 4.22Å; P259-F265 HydrophobicContact CB-CD1 4.45Å; P259-F265 HydrophobicContact CB-CE1 4.2Å
266	Q	98.1	Very high	95.8	Very high	42 Å²	42	50.9 Å²	50.9	20%	0.196	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	144.3	176.6	39	161.9	-22.7	0	0	110.2	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.34Å; L230-Q266 HydrophobicContact CD2-CB 3.6Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 3.38Å; R258-Q266 VanDerWaalsContact O-CG 3.31Å; R258-Q266 WeakPolarHBondContact O-CG 3.41Å; R258-Q266 PolarHBondContact O-N 3.43Å; P259-Q266 PolarHBondContact O-NE2 3.45Å; A260-Q266 HydrophobicContact CB-CG 4.45Å
267	K	98.5	Very high	95.6	Very high	23 Å²	23	45.8 Å²	45.8	10%	0.1	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	156.8	177.4	-160.9	-176.4	-170	67.2	0	109.2	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.25Å; A229-K267 PolarHBondContact O-N 3.41Å; F232-K267 HydrophobicContact CE1-CB 4.44Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L254-K267 HydrophobicContact CD1-CD 4.49Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 WeakPolarHBondContact O-CE 3.14Å; V255-K267 WeakPolarHBondContact O-CG 3.38Å; V255-K267 PolarHBondContact O-NZ 2.97Å; T257-K267 WeakPolarHBondContact OG1-CD 3.38Å; T257-K267 PolarHBondContact OG1-NZ 2.88Å
268	W	98.2	Very high	95.5	Very high	26 Å²	26	44.6 Å²	44.6	10%	0.098	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	156.8	168.4	57.9	-97.7	0	0	0	111.9	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.05Å; R226-W268 HydrophobicContact CG-CE3 3.81Å; R226-W268 HydrophobicContact CG-CG 4.19Å; C227-W268 CarbonylContact O-C 3.49Å; C227-W268 WeakPolarHBondContact O-CA 3.49Å; C227-W268 WeakPolarHBondContact O-CB 3.28Å; W228-W268 HydrophobicContact CD2-CB 4Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.76Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.74Å; W228-W268 HydrophobicContact CH2-CG 4.37Å; W228-W268 HydrophobicContact CZ3-CB 4.38Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å; E253-W268 HydrophobicContact CB-CZ3 4.31Å; E253-W268 HydrophobicContact CG-CH2 4.01Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 VanDerWaalsContact OE2-CH2 3.28Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.44Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.47Å; V255-W268 HydrophobicContact CG1-CD2 3.92Å; V255-W268 VanDerWaalsContact CG1-CE2 3.45Å; V255-W268 HydrophobicContact CG1-CE3 4.16Å; V255-W268 HydrophobicContact CG1-CH2 3.64Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.02Å; V255-W268 HydrophobicContact CG2-CD2 3.95Å; V255-W268 HydrophobicContact CG2-CG 3.89Å; V255-W268 PolarHBondContact N-O 2.88Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
269	A	98.1	Very high	95.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.9	174.1	0	0	0	0	0	108.3	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.37Å; C227-A269 PolarHBondContact N-O 3.17Å; C227-A269 PolarHBondContact O-N 2.8Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; W241-A269 PolarHBondContact NE1-O 3.32Å; T252-A269 HydrophobicContact CG2-CB 3.89Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.5Å; L254-A269 HydrophobicContact CD1-CB 3.72Å
270	A	97.6	Very high	95.3	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.9	178.1	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.87Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.4Å; R226-A270 HydrophobicContact CB-CB 4.03Å; R226-A270 HydrophobicContact CG-CB 4.1Å; T252-A270 CarbonylContact C-O 3.6Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.35Å; E253-A270 HydrophobicContact CB-CB 4.36Å; E253-A270 PolarHBondContact N-O 2.83Å; E253-A270 PolarHBondContact O-N 3.49Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
271	V	97.3	Very high	95.3	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141.9	176.6	62	0	0	0	0	108.8	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.42Å; L225-V271 HydrophobicContact CB-CG1 4.26Å; L225-V271 PolarHBondContact N-O 2.89Å; L225-V271 PolarHBondContact O-N 3.24Å; W241-V271 HydrophobicContact CB-CG1 4.33Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 4.09Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.71Å; W241-V271 HydrophobicContact CZ2-CG1 4.3Å; V271-V273 HydrophobicContact CG1-CG1 3.83Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V271-Y281 HydrophobicContact CG1-CD1 4.13Å; V271-Y281 HydrophobicContact CG2-CD1 4.49Å; V271-Y281 HydrophobicContact CG2-CE1 4.13Å
272	V	96.6	Very high	95.5	Very high	76 Å²	76	38.7 Å²	38.7	46%	0.461	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	129.8	171.6	-177.7	0	0	0	0	108	E222	E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.34Å
273	V	95.6	Very high	95.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.5	-174.8	-50.9	0	0	0	0	110.7	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.35Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 2.9Å; A223-V273 PolarHBondContact O-N 3.46Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.13Å; L225-V273 HydrophobicContact CG-CG1 4.11Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; V271-V273 HydrophobicContact CG1-CG1 3.83Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 3.91Å; V273-Y281 HydrophobicContact CB-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CD1 3.8Å; V273-Y281 HydrophobicContact CG1-CD2 3.54Å; V273-Y281 HydrophobicContact CG1-CE1 3.74Å; V273-Y281 HydrophobicContact CG1-CE2 3.48Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.48Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	95.2	Very high	96.1	Very high	51 Å²	51	33.7 Å²	33.7	33%	0.331	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	139.5	170.5	-20.4	32.6	0	0	0	111.8	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.48Å; P274-G276 PolarHBondContact O-N 2.91Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.18Å; P274-E277 PolarHBondContact O-N 3.07Å
275	S	91.5	Very high	96.2	Very high	57 Å²	57	33.3 Å²	33.3	40%	0.399	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	123.8	173.8	-65.7	0	0	0	0	111.1	D220 H221 E222	D220-S275 WeakPolarHBondContact O-CB 3.23Å; D220-S275 PolarHBondContact O-OG 3.37Å; H221-S275 PolarHBondContact O-N 3.06Å; H221-S275 PolarHBondContact O-OG 2.89Å; E222-S275 PolarHBondContact N-OG 3.2Å
276	G	90.3	Very high	96.1	Very high	63 Å²	63	34.3 Å²	34.3	65%	0.649	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.5	-8.1	-177.9	0	0	0	0	0	115.4	P274 E278	P274-G276 PolarHBondContact O-N 2.91Å; G276-E278 WeakPolarHBondContact CA-OE2 3.17Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.38Å; G276-E278 PolarHBondContact N-OE2 2.83Å
277	E	93.9	Very high	96	Very high	64 Å²	64	32.8 Å²	32.8	30%	0.299	18%	0.181	S	C	.	.			trans	-96.5	1.7	175.3	-68.4	-154.5	-153.9	0	0	113.8	W243 P274 Q279 R280 Y281	W243-E277 PolarHBondContact NE1-OE2 3.47Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.18Å; P274-E277 PolarHBondContact O-N 3.07Å; E277-Q279 PolarHBondContact O-N 3.15Å; E277-R280 WeakPolarHBondContact O-CB 3.43Å; E277-R280 PolarHBondContact O-N 2.83Å; E277-R280 IonicContact OE1-NH1 3.81Å; E277-R280 WeakPolarHBondContact OE2-CD 3.45Å; E277-R280 IonicContact OE2-CZ 3.55Å; E277-R280 IonicContact OE2-NE 2.82Å; E277-R280 IonicContact OE2-NH1 2.67Å; E277-R280 PolarHBondContact OE2-NH1 2.8Å; E277-Y281 HydrophobicContact CB-CE2 4.35Å; E277-Y281 WeakPolarHBondContact O-CD2 3.35Å
278	E	93.9	Very high	95.6	Very high	21 Å²	21	35.3 Å²	35.3	10%	0.098	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.8	-169.8	-50.6	83.8	178.6	0	0	113.6	L225 V273 G276 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.41Å; L225-E278 HydrophobicContact CD2-CG 4.41Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; G276-E278 WeakPolarHBondContact CA-OE2 3.17Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.38Å; G276-E278 PolarHBondContact N-OE2 2.83Å; E278-Y281 PolarHBondContact O-N 3.22Å; 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 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.83Å; E278-W298 HydrophobicContact CG-CZ3 3.82Å
279	Q	94.3	Very high	95.2	Very high	85 Å²	85	34.7 Å²	34.7	40%	0.397	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-14.6	179.2	-62.5	-57.2	-51.7	0	0	114.3	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.15Å; Q279-Y281 VanDerWaalsContact C-N 3.35Å; Q279-W298 PolarHBondContact NE2-O 3.08Å
280	R	95.6	Very high	95	Very high	82 Å²	82	35.8 Å²	35.8	31%	0.309	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-22.7	172	-60.1	177.4	71.7	-169.1	-0.8	111.9	W243 D244 E277	W243-R280 VanDerWaalsContact CE2-CZ 3.43Å; W243-R280 VanDerWaalsContact CZ2-CZ 3.41Å; D244-R280 PolarHBondContact N-O 3.46Å; D244-R280 VanDerWaalsContact N-O 3.12Å; D244-R280 IonicContact OD1-NE 3.87Å; D244-R280 IonicContact OD2-CZ 2.8Å; D244-R280 IonicContact OD2-NE 3.65Å; D244-R280 PolarHBondContact OD2-NE 3.45Å; D244-R280 IonicContact OD2-NH2 2.68Å; D244-R280 PolarHBondContact OD2-NH2 2.98Å; E277-R280 WeakPolarHBondContact O-CB 3.43Å; E277-R280 PolarHBondContact O-N 2.83Å; E277-R280 IonicContact OE1-NH1 3.81Å; E277-R280 WeakPolarHBondContact OE2-CD 3.45Å; E277-R280 IonicContact OE2-CZ 3.55Å; E277-R280 IonicContact OE2-NE 2.82Å; E277-R280 IonicContact OE2-NH1 2.67Å; E277-R280 PolarHBondContact OE2-NH1 2.8Å
281	Y	96.5	Very high	94.7	Very high	18 Å²	18	41.5 Å²	41.5	7%	0.071	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	129.9	178.9	-68.6	-93.6	0	0	0	111.5	Q242 W243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.32Å; Q242-Y281 WeakPolarHBondContact O-CA 3.47Å; W243-Y281 HydrophobicContact CB-CD1 4.19Å; W243-Y281 HydrophobicContact CB-CE1 3.96Å; W243-Y281 AromaticContact CD1-CD2 3.94Å; W243-Y281 AromaticContact CD1-CE1 3.9Å; W243-Y281 AromaticContact CD1-CE2 3.48Å; W243-Y281 VanDerWaalsContact CD1-CE2 3.48Å; W243-Y281 AromaticContact CD1-CZ 3.46Å; W243-Y281 VanDerWaalsContact CD1-CZ 3.46Å; W243-Y281 HydrophobicContact CG-CE1 4.21Å; W243-Y281 HydrophobicContact CG-CE2 4.49Å; W243-Y281 AromaticContact NE1-CE2 3.97Å; Q248-Y281 HydrophobicContact CG-CE1 4.4Å; V271-Y281 HydrophobicContact CG1-CD1 4.13Å; V271-Y281 HydrophobicContact CG2-CD1 4.49Å; V271-Y281 HydrophobicContact CG2-CE1 4.13Å; V273-Y281 HydrophobicContact CB-CD2 3.91Å; V273-Y281 HydrophobicContact CB-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CD1 3.8Å; V273-Y281 HydrophobicContact CG1-CD2 3.54Å; V273-Y281 HydrophobicContact CG1-CE1 3.74Å; V273-Y281 HydrophobicContact CG1-CE2 3.48Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.48Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.35Å; E277-Y281 WeakPolarHBondContact O-CD2 3.35Å; E278-Y281 PolarHBondContact O-N 3.22Å; Q279-Y281 VanDerWaalsContact C-N 3.35Å
282	T	97.5	Very high	94.5	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130	175.3	42.4	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 CarbonylContact C-O 3.54Å; W241-T282 WeakPolarHBondContact CA-O 3.19Å; Q242-T282 PolarHBondContact N-O 2.9Å; Q242-T282 PolarHBondContact O-N 3.22Å; Q242-T282 PolarHBondContact O-OG1 3.5Å; T282-H284 WeakPolarHBondContact CB-NE2 3.49Å; T282-H284 PolarHBondContact OG1-NE2 2.94Å; T282-T295 HydrophobicContact CG2-CG2 3.82Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 WeakPolarHBondContact CA-O 3.16Å; T282-R297 HydrophobicContact CG2-CG 3.62Å; T282-R297 VanDerWaalsContact CG2-NE 3.26Å
283	C	97.8	Very high	94.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.8	168.7	171.7	0	0	0	0	109.1	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.49Å; C227-C283 VanDerWaalsContact CB-CB 3.49Å; C227-C283 WeakPolarHBondContact CB-SG 3.4Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 3.48Å; T240-C283 CarbonylContact O-C 3.58Å; T240-C283 WeakPolarHBondContact O-CA 3.48Å; W241-C283 HydrophobicContact CD2-CB 4.07Å; W241-C283 HydrophobicContact CE3-CB 3.96Å; W241-C283 HydrophobicContact CH2-CB 3.94Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 3.89Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.32Å; C283-L296 HydrophobicContact CB-CB 4.25Å; C283-L296 PolarHBondContact N-O 2.8Å; C283-L296 PolarHBondContact O-N 3.24Å
284	H	97.5	Very high	94.4	Very high	50 Å²	50	51 Å²	51	23%	0.231	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134	175.6	-63.9	-99.2	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.45Å; T240-H284 PolarHBondContact N-O 3.18Å; T240-H284 PolarHBondContact O-N 2.81Å; Q242-H284 VanDerWaalsContact CB-NE2 3.29Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.37Å; Q242-H284 PolarHBondContact OE1-NE2 3.42Å; T282-H284 WeakPolarHBondContact CB-NE2 3.49Å; T282-H284 PolarHBondContact OG1-NE2 2.94Å; H284-L294 CarbonylContact C-O 3.56Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; H284-T295 VanDerWaalsContact CE1-CG2 3.48Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.29Å; H284-T295 PolarHBondContact CE1-OG1 2.87Å; H284-T295 PolarHBondContact ND1-OG1 3.36Å; H284-T295 VanDerWaalsContact ND1-OG1 3.07Å
285	V	97.6	Very high	94.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.6	-177.4	-175.4	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.96Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.11Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; I237-V285 HydrophobicContact CD1-CG1 4.05Å; I237-V285 HydrophobicContact CG1-CG1 4.39Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.44Å; L239-V285 HydrophobicContact CG-CG2 4.26Å; V285-L290 HydrophobicContact CG1-CD1 4.17Å; V285-P293 WeakPolarHBondContact O-CA 3.37Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 2.94Å; V285-L294 PolarHBondContact O-N 2.82Å; V285-L296 HydrophobicContact CG2-CD1 3.8Å
286	Q	96.6	Very high	94.7	Very high	47 Å²	47	51.2 Å²	51.2	22%	0.22	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.5	174.5	-54.7	178.7	15.5	0	0	109.1	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.15Å; T238-Q286 PolarHBondContact N-O 2.92Å; T238-Q286 PolarHBondContact O-N 2.64Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
287	H	95.1	Very high	95	Very high	11 Å²	11	54.6 Å²	54.6	5%	0.051	27%	0.274	C	S	.	.			trans	-157.4	144.1	-177	-176.3	-104.7	0	0	0	108.7	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 3.04Å; P209-H287 HydrophobicContact CG-CB 4.15Å; F232-H287 AromaticContact CD2-CD2 3.96Å; F232-H287 AromaticContact CD2-NE2 3.77Å; Y233-H287 PolarHBondContact O-CE1 3.26Å; P234-H287 PolarHBondContact O-NE2 3.01Å; E236-H287 PolarHBondContact O-CD2 2.85Å; E236-H287 VanDerWaalsContact O-CD2 3.3Å; I237-H287 HydrophobicContact CD1-CB 4.27Å; I237-H287 HydrophobicContact CG1-CB 4.04Å; H287-G289 PolarHBondContact ND1-N 3.39Å; H287-G289 VanDerWaalsContact ND1-N 3.11Å; H287-G289 PolarHBondContact O-N 3.1Å; H287-L290 HydrophobicContact CB-CD1 4Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.42Å; H287-L290 PolarHBondContact O-N 2.58Å
288	E	91.1	Very high	95	Very high	76 Å²	76	53.7 Å²	53.7	36%	0.355	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-34.2	-177.8	-176.6	-177.1	-174.6	0	0	113.1	A24 G25 P234 L290	A24-E288 WeakPolarHBondContact CA-OE1 3.29Å; G25-E288 PolarHBondContact N-OE1 3.5Å; P234-E288 WeakPolarHBondContact CG-OE2 3.44Å; E288-L290 VanDerWaalsContact C-N 3.29Å; E288-L290 PolarHBondContact O-N 2.74Å
289	G	90.6	Very high	94.8	Very high	12 Å²	12	61.1 Å²	61.1	12%	0.124	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-34.7	176.9	0	0	0	0	0	112.7	A206 H208 H287	A206-G289 VanDerWaalsContact CB-CA 3.5Å; H208-G289 PolarHBondContact CE1-O 3.28Å; H208-G289 PolarHBondContact ND1-O 3.07Å; H287-G289 PolarHBondContact ND1-N 3.39Å; H287-G289 VanDerWaalsContact ND1-N 3.11Å; H287-G289 PolarHBondContact O-N 3.1Å
290	L	93.4	Very high	94.1	Very high	24 Å²	24	60.8 Å²	60.8	13%	0.126	31%	0.305	C	S	.	.			trans	-72.7	125.6	-173.2	-66.5	171.2	0	0	0	111.4	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 4.1Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.39Å; P209-L290 HydrophobicContact CG-CG 4.19Å; V285-L290 HydrophobicContact CG1-CD1 4.17Å; H287-L290 HydrophobicContact CB-CD1 4Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.42Å; H287-L290 PolarHBondContact O-N 2.58Å; E288-L290 VanDerWaalsContact C-N 3.29Å; E288-L290 PolarHBondContact O-N 2.74Å; L290-E292 PolarHBondContact O-N 2.98Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.9Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CG 3.89Å
291	P	90.9	Very high	92.7	Very high	122 Å²	122	61.7 Å²	61.7	79%	0.792	32%	0.324	S	S	*	.	S	Bend	trans	-67.7	-27.8	177.9	28.6	-35.2	0	0	0	112.4
292	E	92.1	Very high	90.4	Very high	150 Å²	150	66.2 Å²	66.2	70%	0.701	36%	0.358	S	S	*	.	S	Bend	trans	-141.1	147	171.7	-66.5	-176.1	176.4	0	0	108.9	L290 L294	L290-E292 PolarHBondContact O-N 2.98Å; E292-L294 PolarHBondContact O-N 3.23Å
293	P	94.8	Very high	87.9	Confident	69 Å²	69	73.3 Å²	73.3	45%	0.448	39%	0.391	S	S	.	.			trans	-53.8	135.7	174	-28.4	36.8	0	0	0	113	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.37Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
294	L	96	Very high	85.4	Confident	61 Å²	61	78.4 Å²	78.4	32%	0.319	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.3	176.7	-65.2	177.2	0	0	0	110.7	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.22Å; H284-L294 CarbonylContact C-O 3.56Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 2.94Å; V285-L294 PolarHBondContact O-N 2.82Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.9Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CG 3.89Å; E292-L294 PolarHBondContact O-N 3.23Å
295	T	97.1	Very high	83.2	Confident	78 Å²	78	82.2 Å²	82.2	48%	0.479	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.4	168.8	-54.1	0	0	0	0	110.2	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.82Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.32Å; H284-T295 VanDerWaalsContact CE1-CG2 3.48Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.29Å; H284-T295 PolarHBondContact CE1-OG1 2.87Å; H284-T295 PolarHBondContact ND1-OG1 3.36Å; H284-T295 VanDerWaalsContact ND1-OG1 3.07Å
296	L	96.6	Very high	81.2	Confident	33 Å²	33	87.2 Å²	87.2	17%	0.173	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.5	-173.6	-63.3	149.6	0	0	0	110.3	T211 V213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.08Å; V213-L296 HydrophobicContact CG2-CB 3.96Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 WeakPolarHBondContact CA-O 3.16Å; C283-L296 HydrophobicContact CB-CB 4.25Å; C283-L296 PolarHBondContact N-O 2.8Å; C283-L296 PolarHBondContact O-N 3.24Å; V285-L296 HydrophobicContact CG2-CD1 3.8Å
297	R	95.6	Very high	79.3	Confident	134 Å²	134	89.2 Å²	89.2	51%	0.506	49%	0.493	S	S	.	.			trans	-121.1	154.5	165.8	-67.7	-172.6	-179.6	175.6	-2.4	109.3	T282 K299	T282-R297 HydrophobicContact CG2-CG 3.62Å; T282-R297 VanDerWaalsContact CG2-NE 3.26Å; R297-K299 PolarHBondContact O-N 3.22Å
298	W	95.2	Very high	77.7	Confident	45 Å²	45	94.4 Å²	94.4	17%	0.17	52%	0.521	C	S	.	.			trans	-61.6	128.6	166.5	171.8	60.8	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.83Å; H215-W298 HydrophobicContact CB-CD2 4.12Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 4.07Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.81Å; H215-W298 AromaticContact ND1-CZ2 3.97Å; L225-W298 HydrophobicContact CD1-CB 4.48Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.45Å; L225-W298 HydrophobicContact CD2-CG 4.03Å; 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 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.83Å; E278-W298 HydrophobicContact CG-CZ3 3.82Å; Q279-W298 PolarHBondContact NE2-O 3.08Å; W298-P300 HydrophobicContact CE3-CG 4.34Å; W298-P300 HydrophobicContact CH2-CB 4.3Å; W298-P300 HydrophobicContact CH2-CG 3.82Å; W298-P300 HydrophobicContact CZ2-CB 4.1Å; W298-P300 HydrophobicContact CZ2-CG 3.99Å; W298-P300 HydrophobicContact CZ3-CG 4Å
299	K	88.8	Confident	76.4	Confident	177 Å²	177	96.8 Å²	96.8	77%	0.77	54%	0.54	S	S	*	.			trans	-108.4	120.9	169.9	-68.8	-178.3	-179.5	176.5	0	107.7	R297 S301	R297-K299 PolarHBondContact O-N 3.22Å; K299-S301 PolarHBondContact O-N 2.71Å
300	P	80.5	Confident	75.3	Confident	79 Å²	79	98.3 Å²	98.3	51%	0.513	56%	0.555	S	S	.	*			trans	-52.9	131.6	169.6	-24.6	33.2	0	0	0	109.6	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.34Å; W298-P300 HydrophobicContact CH2-CB 4.3Å; W298-P300 HydrophobicContact CH2-CG 3.82Å; W298-P300 HydrophobicContact CZ2-CB 4.1Å; W298-P300 HydrophobicContact CZ2-CG 3.99Å; W298-P300 HydrophobicContact CZ3-CG 4Å; P300-S302 PolarHBondContact O-N 2.74Å
301	S	64.5	Low	74.4	Confident	101 Å²	101	101.6 Å²	101.6	71%	0.706	57%	0.572	S	S	*	*			trans	-65.7	104.3	179.4	-176.7	0	0	0	0	109.4	K299 Q303	K299-S301 PolarHBondContact O-N 2.71Å; S301-Q303 PolarHBondContact O-N 3.08Å
302	S	49.2	Very low	73.6	Confident	112 Å²	112	100.2 Å²	100.2	78%	0.783	56%	0.561	S	S	*	*			trans	-74.8	65	167.9	64	0	0	0	0	109.4	P300 P304	P300-S302 PolarHBondContact O-N 2.74Å; S302-P304 WeakPolarHBondContact O-CD 3.26Å
303	Q	46.1	Very low	72.9	Confident	158 Å²	158	95.6 Å²	95.6	74%	0.738	55%	0.549	S	S	*	.			trans	-61	116.6	155.5	-81.5	-170.4	-17.6	0	0	106	S301 T305	S301-Q303 PolarHBondContact O-N 3.08Å; Q303-T305 PolarHBondContact O-N 3.21Å
304	P	43.6	Very low	72.2	Confident	107 Å²	107	94 Å²	94	70%	0.695	54%	0.544	S	S	*	.			trans	-62.7	114.8	167.9	27.1	-31.1	0	0	0	105.9	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.26Å; P304-I306 PolarHBondContact O-N 3.22Å
305	T	51.1	Low	71.7	Confident	131 Å²	131	96.2 Å²	96.2	80%	0.804	56%	0.556	S	S	*	*			trans	-64.6	85.4	165.9	-44.1	0	0	0	0	106.4	Q303 P307	Q303-T305 PolarHBondContact O-N 3.21Å; T305-P307 WeakPolarHBondContact O-CD 3.43Å
306	I	55.7	Low	71	Confident	105 Å²	105	95 Å²	95	54%	0.538	55%	0.554	S	S	.	*			trans	-50.3	120.4	170.9	-63	176.4	0	0	0	104.4	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.22Å; I306-I308 PolarHBondContact O-N 3.22Å; I306-I311 HydrophobicContact CG2-CD1 3.82Å
307	P	58.1	Low	70.5	Confident	88 Å²	88	97.6 Å²	97.6	57%	0.571	57%	0.571	S	S	*	*			trans	-75.8	77.5	-173.3	29.6	-34.3	0	0	0	108.3	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.43Å; P307-V309 PolarHBondContact O-N 3.22Å; P307-G310 WeakPolarHBondContact O-CA 3.44Å; P307-G310 PolarHBondContact O-N 2.87Å; P307-I311 PolarHBondContact O-N 3Å
308	I	61.4	Low	70	Confident	121 Å²	121	96.7 Å²	96.7	62%	0.621	58%	0.576	S	S	*	*	H	α-helix	trans	-54	-38.4	178.7	-67	165.2	0	0	0	109	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 3.22Å; I308-G310 PolarHBondContact O-N 3.4Å; I308-I311 PolarHBondContact O-N 2.93Å; I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.1Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.48Å; I308-V312 PolarHBondContact O-N 3.43Å
309	V	63.6	Low	69.4	Low	126 Å²	126	97.2 Å²	97.2	76%	0.764	59%	0.59	S	S	*	*	H	α-helix	trans	-57.8	-43.5	172.1	-177.7	0	0	0	0	112.4	P307 A313	P307-V309 PolarHBondContact O-N 3.22Å; V309-A313 WeakPolarHBondContact O-CB 3.44Å; V309-A313 PolarHBondContact O-N 3.38Å
310	G	66.9	Low	69.3	Low	43 Å²	43	93 Å²	93	44%	0.443	58%	0.579	S	S	.	*	H	α-helix	trans	-68.9	-38.9	178.5	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.44Å; P307-G310 PolarHBondContact O-N 2.87Å; I308-G310 PolarHBondContact O-N 3.4Å; G310-G314 PolarHBondContact O-N 2.99Å
311	I	73.8	Confident	69.5	Low	93 Å²	93	94.2 Å²	94.2	48%	0.477	58%	0.58	S	S	.	*	H	α-helix	trans	-67.3	-46	175.7	-61.8	173.2	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.82Å; P307-I311 PolarHBondContact O-N 3Å; I308-I311 PolarHBondContact O-N 2.93Å; I311-G314 PolarHBondContact O-N 2.83Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 WeakPolarHBondContact O-CG 3.5Å; I311-L315 PolarHBondContact O-N 3.05Å
312	V	75.3	Confident	70.4	Confident	93 Å²	93	92.6 Å²	92.6	56%	0.564	57%	0.573	S	S	*	*	H	α-helix	trans	-63.5	-43	177.6	170.6	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 WeakPolarHBondContact O-CB 3.1Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.48Å; I308-V312 PolarHBondContact O-N 3.43Å; V312-L315 PolarHBondContact O-N 3.32Å; V312-A316 WeakPolarHBondContact O-CB 3.29Å; V312-A316 PolarHBondContact O-N 3.18Å
313	A	76.1	Confident	72	Confident	53 Å²	53	91.8 Å²	91.8	44%	0.438	56%	0.563	S	S	.	*	H	α-helix	trans	-62.9	-44.3	175.1	0	0	0	0	0	112.1	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.44Å; V309-A313 PolarHBondContact O-N 3.38Å; A313-A316 PolarHBondContact O-N 3.02Å; A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 3.31Å
314	G	81.3	Confident	73.6	Confident	35 Å²	35	88.9 Å²	88.9	36%	0.361	55%	0.552	S	S	.	*	H	α-helix	trans	-61.7	-43.7	176.8	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.99Å; I311-G314 PolarHBondContact O-N 2.83Å; G314-V317 PolarHBondContact O-N 3.27Å; G314-L318 PolarHBondContact O-N 3.45Å
315	L	85.6	Confident	75.4	Confident	109 Å²	109	85.8 Å²	85.8	57%	0.571	54%	0.539	S	S	*	.	H	α-helix	trans	-65.8	-39.5	175.9	-71.6	172	0	0	0	112.3	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 WeakPolarHBondContact O-CG 3.5Å; I311-L315 PolarHBondContact O-N 3.05Å; V312-L315 PolarHBondContact O-N 3.32Å; L315-L318 PolarHBondContact O-N 2.65Å; L315-A319 WeakPolarHBondContact O-CB 3.39Å; L315-A319 PolarHBondContact O-N 3.3Å
316	A	82.5	Confident	76.8	Confident	52 Å²	52	82.1 Å²	82.1	43%	0.43	52%	0.523	S	S	.	.	H	α-helix	trans	-63	-43.8	175.4	0	0	0	0	0	111.9	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.29Å; V312-A316 PolarHBondContact O-N 3.18Å; A313-A316 PolarHBondContact O-N 3.02Å; A316-A319 PolarHBondContact O-N 3.31Å; A316-V320 WeakPolarHBondContact O-CG2 3.14Å; A316-V320 PolarHBondContact O-N 2.99Å
317	V	84.8	Confident	77.7	Confident	88 Å²	88	83 Å²	83	53%	0.533	53%	0.526	S	S	.	.	H	α-helix	trans	-63.2	-44.3	175.8	171.6	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 3.31Å; G314-V317 PolarHBondContact O-N 3.27Å; V317-A319 PolarHBondContact O-N 2.89Å; V317-V320 PolarHBondContact O-N 2.67Å; V317-L321 HydrophobicContact CG1-CD1 3.93Å; V317-L321 HydrophobicContact CG1-CG 4.39Å; V317-L321 WeakPolarHBondContact O-CG 3.33Å; V317-L321 PolarHBondContact O-N 2.83Å
318	L	85.1	Confident	78.6	Confident	115 Å²	115	83 Å²	83	60%	0.602	52%	0.524	S	S	*	.	H	α-helix	trans	-60.8	-41.7	175.8	-81.5	165.9	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.45Å; L315-L318 PolarHBondContact O-N 2.65Å; L318-L321 PolarHBondContact O-N 3.41Å; L318-A322 WeakPolarHBondContact O-CB 3.46Å; L318-A322 PolarHBondContact O-N 3.46Å
319	A	84.5	Confident	79.1	Confident	56 Å²	56	79.7 Å²	79.7	46%	0.463	52%	0.515	S	S	.	.	H	α-helix	trans	-63.1	-44.3	176.2	0	0	0	0	0	112	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.39Å; L315-A319 PolarHBondContact O-N 3.3Å; A316-A319 PolarHBondContact O-N 3.31Å; V317-A319 PolarHBondContact O-N 2.89Å; A319-A322 PolarHBondContact O-N 2.92Å; A319-V323 WeakPolarHBondContact O-CG2 3.36Å; A319-V323 PolarHBondContact O-N 2.76Å
320	V	85.1	Confident	79.6	Confident	89 Å²	89	77.2 Å²	77.2	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-44.5	176	170.8	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.14Å; A316-V320 PolarHBondContact O-N 2.99Å; V317-V320 PolarHBondContact O-N 2.67Å; V320-A322 PolarHBondContact O-N 3.43Å; V320-V323 PolarHBondContact O-N 2.9Å; V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.48Å; V320-L324 WeakPolarHBondContact O-CG 3.47Å; V320-L324 PolarHBondContact O-N 3.08Å
321	L	85	Confident	79.8	Confident	103 Å²	103	79.3 Å²	79.3	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-39.1	177.1	-70.9	172.8	0	0	0	112.4	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.93Å; V317-L321 HydrophobicContact CG1-CG 4.39Å; V317-L321 WeakPolarHBondContact O-CG 3.33Å; V317-L321 PolarHBondContact O-N 2.83Å; L318-L321 PolarHBondContact O-N 3.41Å; L321-L324 PolarHBondContact O-N 3.24Å; L321-G325 PolarHBondContact O-N 3.38Å
322	A	82.9	Confident	79.7	Confident	67 Å²	67	81.1 Å²	81.1	55%	0.554	51%	0.512	S	S	*	.	H	α-helix	trans	-64.2	-42.7	175.6	0	0	0	0	0	112.1	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.46Å; L318-A322 PolarHBondContact O-N 3.46Å; A319-A322 PolarHBondContact O-N 2.92Å; V320-A322 PolarHBondContact O-N 3.43Å; A322-G325 PolarHBondContact O-N 2.86Å; A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 3.18Å
323	V	82.8	Confident	79.1	Confident	95 Å²	95	80.9 Å²	80.9	58%	0.576	51%	0.513	S	S	*	.	H	α-helix	trans	-64.1	-44	175.4	171.9	0	0	0	0	111.2	A319 V320 A326 M327	A319-V323 WeakPolarHBondContact O-CG2 3.36Å; A319-V323 PolarHBondContact O-N 2.76Å; V320-V323 PolarHBondContact O-N 2.9Å; V323-A326 PolarHBondContact O-N 3.11Å; V323-M327 HydrophobicContact CG1-CG 4.49Å; V323-M327 WeakPolarHBondContact O-CB 3.36Å; V323-M327 VanDerWaalsContact O-CG 3.25Å; V323-M327 WeakPolarHBondContact O-CG 3.32Å; V323-M327 PolarHBondContact O-N 3.38Å
324	L	81.6	Confident	78.3	Confident	98 Å²	98	87.5 Å²	87.5	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-43.6	175.8	-71.9	170	0	0	0	111.8	V320 L321 M327 V328	V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.48Å; V320-L324 WeakPolarHBondContact O-CG 3.47Å; V320-L324 PolarHBondContact O-N 3.08Å; L321-L324 PolarHBondContact O-N 3.24Å; L324-M327 PolarHBondContact O-N 2.69Å; L324-V328 WeakPolarHBondContact O-CG2 3.32Å; L324-V328 PolarHBondContact O-N 3Å
325	G	81.1	Confident	77.2	Confident	41 Å²	41	95.9 Å²	95.9	42%	0.423	55%	0.548	S	S	.	.	H	α-helix	trans	-60.6	-44.2	175.2	0	0	0	0	0	112.8	L321 A322 V328 A329	L321-G325 PolarHBondContact O-N 3.38Å; A322-G325 PolarHBondContact O-N 2.86Å; G325-V328 PolarHBondContact O-N 3.13Å; G325-A329 WeakPolarHBondContact O-CB 3.15Å; G325-A329 PolarHBondContact O-N 3.27Å
326	A	79	Confident	75.5	Confident	55 Å²	55	99.5 Å²	99.5	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-62.7	-42.2	174.9	0	0	0	0	0	112.2	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 3.18Å; V323-A326 PolarHBondContact O-N 3.11Å; A326-A329 PolarHBondContact O-N 2.96Å; A326-V330 WeakPolarHBondContact O-CG2 3.4Å; A326-V330 PolarHBondContact O-N 3.27Å
327	M	75.5	Confident	74	Confident	122 Å²	122	101.5 Å²	101.5	60%	0.601	57%	0.57	S	S	*	*	H	α-helix	trans	-62.9	-43.3	176.2	-73.2	-72.1	-83	0	0	112	V323 L324 V330 V331	V323-M327 HydrophobicContact CG1-CG 4.49Å; V323-M327 WeakPolarHBondContact O-CB 3.36Å; V323-M327 VanDerWaalsContact O-CG 3.25Å; V323-M327 WeakPolarHBondContact O-CG 3.32Å; V323-M327 PolarHBondContact O-N 3.38Å; L324-M327 PolarHBondContact O-N 2.69Å; M327-V330 PolarHBondContact O-N 2.97Å; M327-V331 VanDerWaalsContact O-CG2 3.32Å; M327-V331 WeakPolarHBondContact O-CG2 3.5Å; M327-V331 PolarHBondContact O-N 3.4Å
328	V	76.1	Confident	72.3	Confident	88 Å²	88	102.3 Å²	102.3	53%	0.533	58%	0.579	S	S	.	*	H	α-helix	trans	-62.5	-44.4	174.3	172	0	0	0	0	111	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.32Å; L324-V328 PolarHBondContact O-N 3Å; G325-V328 PolarHBondContact O-N 3.13Å; V328-V330 PolarHBondContact O-N 3.19Å; V328-V331 PolarHBondContact O-N 3.47Å; V328-M332 HydrophobicContact CG1-CG 4.42Å; V328-M332 HydrophobicContact CG1-SD 4.17Å; V328-M332 WeakPolarHBondContact O-CG 2.96Å; V328-M332 PolarHBondContact O-N 3.39Å
329	A	72.7	Confident	70.3	Confident	52 Å²	52	99.8 Å²	99.8	43%	0.43	58%	0.581	S	S	.	*	H	α-helix	trans	-61	-43.6	176.9	0	0	0	0	0	112.3	G325 A326 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.15Å; G325-A329 PolarHBondContact O-N 3.27Å; A326-A329 PolarHBondContact O-N 2.96Å; A329-M332 PolarHBondContact O-N 3.29Å; A329-C333 WeakPolarHBondContact O-CB 3.26Å; A329-C333 PolarHBondContact O-N 2.7Å; A329-C333 PolarHBondContact O-SG 2.94Å
330	V	73.3	Confident	68	Low	74 Å²	74	101.2 Å²	101.2	45%	0.448	60%	0.601	S	S	.	*	H	α-helix	trans	-63.2	-41.6	175.5	169.1	0	0	0	0	111.6	A326 M327 V328 C333 R334	A326-V330 WeakPolarHBondContact O-CG2 3.4Å; A326-V330 PolarHBondContact O-N 3.27Å; M327-V330 PolarHBondContact O-N 2.97Å; V328-V330 PolarHBondContact O-N 3.19Å; V330-C333 PolarHBondContact O-N 2.9Å; V330-R334 WeakPolarHBondContact O-CB 3.22Å; V330-R334 WeakPolarHBondContact O-CG 3.29Å; V330-R334 PolarHBondContact O-N 3.38Å
331	V	72.6	Confident	65.6	Low	87 Å²	87	107.2 Å²	107.2	53%	0.527	62%	0.62	S	S	.	*	H	α-helix	trans	-66.4	-40.3	176.4	170.1	0	0	0	0	111.5	M327 V328 R334 R335	M327-V331 VanDerWaalsContact O-CG2 3.32Å; M327-V331 WeakPolarHBondContact O-CG2 3.5Å; M327-V331 PolarHBondContact O-N 3.4Å; V328-V331 PolarHBondContact O-N 3.47Å; V331-R334 PolarHBondContact O-N 2.91Å; V331-R335 PolarHBondContact O-N 2.91Å
332	M	70.9	Confident	63.2	Low	131 Å²	131	106.1 Å²	106.1	65%	0.645	63%	0.634	S	S	*	*	H	α-helix	trans	-65.6	-42.9	174.7	-73	-174.6	71.2	0	0	112.1	V328 A329 R334 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.42Å; V328-M332 HydrophobicContact CG1-SD 4.17Å; V328-M332 WeakPolarHBondContact O-CG 2.96Å; V328-M332 PolarHBondContact O-N 3.39Å; A329-M332 PolarHBondContact O-N 3.29Å; M332-R334 VanDerWaalsContact C-N 3.35Å; M332-R334 PolarHBondContact O-N 3.5Å; M332-R335 PolarHBondContact O-N 2.89Å; M332-K336 WeakPolarHBondContact O-CB 3.29Å; M332-K336 PolarHBondContact O-N 2.98Å
333	C	61.9	Low	60.7	Low	89 Å²	89	107 Å²	107	60%	0.601	65%	0.649	S	S	*	*	H	α-helix	trans	-61.3	-41.4	173.5	-76.8	0	0	0	0	112	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.26Å; A329-C333 PolarHBondContact O-N 2.7Å; A329-C333 PolarHBondContact O-SG 2.94Å; V330-C333 PolarHBondContact O-N 2.9Å; C333-K336 PolarHBondContact O-N 2.85Å; C333-S337 PolarHBondContact O-N 3.07Å; C333-S337 PolarHBondContact O-OG 2.63Å
334	R	60.4	Low	58.3	Low	192 Å²	192	107.8 Å²	107.8	73%	0.725	66%	0.659	S	S	*	*	H	α-helix	trans	-68.1	-32.9	175.1	-79.3	-177.3	163.1	176.5	-4.2	113.7	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.22Å; V330-R334 WeakPolarHBondContact O-CG 3.29Å; V330-R334 PolarHBondContact O-N 3.38Å; V331-R334 PolarHBondContact O-N 2.91Å; M332-R334 VanDerWaalsContact C-N 3.35Å; M332-R334 PolarHBondContact O-N 3.5Å; R334-K336 VanDerWaalsContact C-N 3.34Å; R334-S337 PolarHBondContact O-OG 3.1Å
335	R	56.9	Low	55.9	Low	210 Å²	210	108.8 Å²	108.8	79%	0.792	67%	0.673	S	S	*	*	H	α-helix	trans	-69.8	-29.1	170.1	-101.9	-176.5	169.6	176	-2.6	112.9	V331 M332 S338	V331-R335 PolarHBondContact O-N 2.91Å; M332-R335 PolarHBondContact O-N 2.89Å; R335-S338 PolarHBondContact O-OG 2.88Å
336	K	50.4	Low	53.6	Low	185 Å²	185	112 Å²	112	80%	0.804	69%	0.689	S	S	*	*	H	α-helix	trans	-83.5	-21.5	179.6	-162.8	170.5	-177.9	179.5	0	113.3	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.29Å; M332-K336 PolarHBondContact O-N 2.98Å; C333-K336 PolarHBondContact O-N 2.85Å; R334-K336 VanDerWaalsContact C-N 3.34Å
337	S	51.9	Low	51.5	Low	95 Å²	95	118.4 Å²	118.4	66%	0.664	71%	0.709	S	S	*	*	S	Bend	trans	-92.1	-3.5	178.1	59.9	0	0	0	0	115.2	C333 R334 G339	C333-S337 PolarHBondContact O-N 3.07Å; C333-S337 PolarHBondContact O-OG 2.63Å; R334-S337 PolarHBondContact O-OG 3.1Å; S337-G339 VanDerWaalsContact C-N 3.3Å; S337-G339 PolarHBondContact O-N 3.15Å
338	S	49	Very low	49.3	Very low	104 Å²	104	117.6 Å²	117.6	73%	0.727	72%	0.722	S	S	*	*	S	Bend	trans	-88.9	23.1	178	70.5	0	0	0	0	114.6	R335	R335-S338 PolarHBondContact O-OG 2.88Å
339	G	43.4	Very low	47.2	Very low	62 Å²	62	117.4 Å²	117.4	64%	0.639	73%	0.73	S	S	*	*	S	Bend	trans	-169.1	121.6	174.3	0	0	0	0	0	113.3	S337	S337-G339 VanDerWaalsContact C-N 3.3Å; S337-G339 PolarHBondContact O-N 3.15Å
340	G	36.1	Very low	45.3	Very low	86 Å²	86	120 Å²	120	89%	0.887	75%	0.745	S	S	*	*			trans	126.7	87	169.9	0	0	0	0	0	115.1
341	K	34.6	Very low	43.3	Very low	216 Å²	216	122.3 Å²	122.3	94%	0.939	76%	0.764	S	S	*	*			trans	-80.1	136.2	178.1	179.5	175.2	-179.1	175.1	0	112.1
342	G	33.6	Very low	41.6	Very low	80 Å²	80	125.3 Å²	125.3	83%	0.825	78%	0.777	S	S	*	*			trans	110.3	141.2	150.3	0	0	0	0	0	118.8
343	G	30.5	Very low	40.1	Very low	85 Å²	85	125.2 Å²	125.2	88%	0.876	79%	0.79	S	S	*	*			trans	139	128.4	168.7	0	0	0	0	0	113.8
344	S	33.8	Very low	39	Very low	112 Å²	112	125.3 Å²	125.3	78%	0.783	80%	0.797	S	S	*	*			trans	-138	144.1	-175.8	178.9	0	0	0	0	111.6
345	C	30.8	Very low	37.8	Very low	118 Å²	118	125.6 Å²	125.6	80%	0.797	81%	0.806	S	S	*	*			trans	53.2	155.3	165.1	-72.5	0	0	0	0	118.2
346	S	31.6	Very low	36.6	Very low	110 Å²	110	118.9 Å²	118.9	77%	0.769	80%	0.803	S	S	*	*			cis	-152	161.3	8	-16.7	0	0	0	0	111.8
347	Q	36.3	Very low	35.9	Very low	188 Å²	188	115.3 Å²	115.3	88%	0.879	80%	0.801	S	S	*	*			trans	-11.1	137.7	148.7	-168.1	175.4	16.8	0	0	119.7
348	A	28	Very low	35.1	Very low	105 Å²	105	117.8 Å²	117.8	87%	0.868	81%	0.807	S	S	*	*			trans	-148	150.8	150.3	0	0	0	0	0	109.3
349	A	33.2	Very low	34.3	Very low	84 Å²	84	121.3 Å²	121.3	69%	0.694	81%	0.812	S	S	*	*			trans	-132.1	163.7	-166.1	0	0	0	0	0	113.9
350	S	32.7	Very low	33.7	Very low	108 Å²	108	123.1 Å²	123.1	76%	0.755	82%	0.815	S	S	*	*			trans	61.1	139.9	155.1	69.3	0	0	0	0	121.5
351	S	31.9	Very low	33.7	Very low	122 Å²	122	126.6 Å²	126.6	85%	0.853	81%	0.812	S	S	*	*				-141.6	143.8	126.2	55.2	0	0	0	0	109.5
352	N	36	Very low	33.5	Very low	150 Å²	150	123.8 Å²	123.8	80%	0.802	81%	0.806	S	S	*	*			trans	-96.2	159.4	-171.7	-68.3	-31.5	0	0	0	112.2
353	S	38.9	Very low	33.6	Very low	129 Å²	129	124.3 Å²	124.3	90%	0.902	80%	0.802	S	S	*	*			trans	-145.4	139.2	137.1	42.2	0	0	0	0	109.1
354	A	38.3	Very low	33.6	Very low	91 Å²	91	126.6 Å²	126.6	75%	0.752	80%	0.803	S	S	*	*			trans	-144.3	137.9	-165.6	0	0	0	0	0	112.7
355	Q	36.1	Very low	33.6	Very low	197 Å²	197	130.8 Å²	130.8	92%	0.921	81%	0.807	S	S	*	*			trans	178.6	119.7	156.9	-100.7	161.4	-21.9	0	0	103.6
356	G	30.9	Very low	33.8	Very low	70 Å²	70	133.4 Å²	133.4	72%	0.722	84%	0.837	S	S	*	*			cis	94.5	127.5	42.2	0	0	0	0	0	107.9
357	S	36.9	Very low	33.9	Very low	110 Å²	110	134.6 Å²	134.6	77%	0.769	84%	0.841	S	S	*	*			cis	-153.6	-169.1	-6.2	-47.8	0	0	0	0	107.7
358	D	35.2	Very low	33.8	Very low	146 Å²	146	131.7 Å²	131.7	78%	0.781	84%	0.839	S	S	*	*			cis	-156.1	-158.7	7.6	-128.9	-43	0	0	0	111
359	E	32.1	Very low	34.1	Very low	178 Å²	178	133.2 Å²	133.2	83%	0.832	84%	0.837	S	S	*	*			trans	-56.9	162.8	176.2	-48	-175.5	106.4	0	0	116
360	S	31.1	Very low	34.2	Very low	101 Å²	101	136.1 Å²	136.1	71%	0.706	85%	0.845	S	S	*	*			cis	-175.6	155.6	47.8	47.4	0	0	0	0	116.1
361	L	34.4	Very low	34.3	Very low	158 Å²	158	137.9 Å²	137.9	83%	0.827	85%	0.851	S	S	*	*			trans	61.7	107.3	142.6	-68.4	167.1	0	0	0	123.6
362	I	32.4	Very low	34.5	Very low	158 Å²	158	138.9 Å²	138.9	81%	0.81	85%	0.851	S	S	*	*			trans	-2.2	132	135.3	-59.6	173.4	0	0	0	118.5
363	A	34.3	Very low	34.3	Very low	90 Å²	90	138.1 Å²	138.1	74%	0.744	85%	0.854	S	S	*	*			trans	-33.9	153.7	164.3	0	0	0	0	0	119.6
364	C	30.3	Very low	34	Very low	133 Å²	133	138.8 Å²	138.8	90%	0.899	85%	0.851	S	S	*	*				-151.4	158.8	126.5	-133.8	0	0	0	0	113.3
365	K	35.4	Very low	33.6	Very low	201 Å²	201	142.8 Å²	142.8	87%	0.874	86%	0.859	S	S	*	*			trans	-63.6	151.6	-173	-73.5	168.5	165.1	176.1	0	115.4
366	A	34.5	Very low	33.4	Very low	172 Å²	172	137.9 Å²	137.9	100%	1.421	85%	0.853	S	S	*	*				-129.1	0	112.2	0	0	0	0	0	108.1

Retrieved 366 of 366 residues in 1454 ms (Link to these results)

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