A0A060D4B3_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060D4B3, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 337 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	33.5	Very low	43	Very low	237 Å²	237	136.5 Å²	136.5	100%	1.167	71%	0.705	S	S	*	*				0	108	0	-69.5	167.9	-167	0	0	107.6
2	R	33.8	Very low	43.1	Very low	244 Å²	244	135.8 Å²	135.8	92%	0.921	70%	0.702	S	S	*	*			trans	-86.4	107.8	172.1	-88.8	179.9	174.9	164.9	-1.5	106.6	T4	R2-T4 PolarHBondContact O-N 2.81Å; R2-T4 VanDerWaalsContact O-N 3.13Å
3	V	37.4	Very low	42.9	Very low	141 Å²	141	133 Å²	133	86%	0.855	69%	0.688	S	S	*	*			trans	-72.6	102.2	171.3	179.4	0	0	0	0	106.7	A5	V3-A5 PolarHBondContact O-N 3.47Å
4	T	40.7	Very low	42.7	Very low	127 Å²	127	127.9 Å²	127.9	78%	0.779	67%	0.669	S	S	*	*			trans	-75.5	107.6	169	39.1	0	0	0	0	108.2	R2	R2-T4 PolarHBondContact O-N 2.81Å; R2-T4 VanDerWaalsContact O-N 3.13Å
5	A	42.7	Very low	42.8	Very low	59 Å²	59	122.7 Å²	122.7	49%	0.488	65%	0.653	S	S	.	*			trans	-62.2	143.5	170	0	0	0	0	0	109.9	V3 R7	V3-A5 PolarHBondContact O-N 3.47Å; A5-R7 PolarHBondContact O-N 2.63Å
6	P	48.1	Very low	42.9	Very low	77 Å²	77	117.8 Å²	117.8	50%	0.5	63%	0.634	S	S	.	*			trans	-62.4	132.9	-180	-10.2	21.7	0	0	0	110.3	T8 V9 L10	P6-T8 PolarHBondContact O-N 3.17Å; P6-V9 HydrophobicContact CB-CG2 4.24Å; P6-V9 HydrophobicContact CG-CG2 4.01Å; P6-V9 PolarHBondContact O-N 3.19Å; P6-L10 PolarHBondContact O-N 2.92Å
7	R	46.6	Very low	42.6	Very low	224 Å²	224	117.2 Å²	117.2	85%	0.845	63%	0.631	S	S	*	*	H	α-helix	trans	-51.7	-28.9	179.6	-94.1	177.5	159.6	143	-6.3	113.9	A5 L10 L11	A5-R7 PolarHBondContact O-N 2.63Å; R7-L10 PolarHBondContact O-N 2.81Å; R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 3.42Å; R7-L11 VanDerWaalsContact O-N 3.12Å
8	T	49.7	Very low	42.3	Very low	96 Å²	96	113.7 Å²	113.7	59%	0.589	62%	0.62	S	S	*	*	H	α-helix	trans	-68.5	-39.5	175.9	35.2	0	0	0	0	113.2	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 3.17Å; T8-L10 VanDerWaalsContact C-N 3.31Å; T8-L11 PolarHBondContact O-N 3.23Å; T8-L12 WeakPolarHBondContact O-CG 3.31Å; T8-L12 PolarHBondContact O-N 2.63Å
9	V	49.1	Very low	42.1	Very low	70 Å²	70	112.4 Å²	112.4	42%	0.424	61%	0.612	S	S	.	*	H	α-helix	trans	-66.9	-37.7	175.6	177.7	0	0	0	0	110.4	P6 L13	P6-V9 HydrophobicContact CB-CG2 4.24Å; P6-V9 HydrophobicContact CG-CG2 4.01Å; P6-V9 PolarHBondContact O-N 3.19Å; V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 WeakPolarHBondContact O-CB 3.34Å; V9-L13 WeakPolarHBondContact O-CD1 3.42Å; V9-L13 WeakPolarHBondContact O-CG 3.09Å; V9-L13 PolarHBondContact O-N 3.03Å
10	L	43.6	Very low	41.9	Very low	107 Å²	107	110.7 Å²	110.7	56%	0.56	61%	0.605	S	S	*	*	H	α-helix	trans	-64.4	-41	176	-138.5	89	0	0	0	111.7	P6 R7 T8 S14	P6-L10 PolarHBondContact O-N 2.92Å; R7-L10 PolarHBondContact O-N 2.81Å; T8-L10 VanDerWaalsContact C-N 3.31Å; L10-S14 WeakPolarHBondContact O-CB 3.36Å; L10-S14 PolarHBondContact O-N 2.94Å; L10-S14 PolarHBondContact O-OG 3.09Å
11	L	47.7	Very low	41.7	Very low	120 Å²	120	113.2 Å²	113.2	63%	0.628	61%	0.613	S	S	*	*	H	α-helix	trans	-69	-40.2	178.8	-74.3	165.9	0	0	0	112.8	R7 T8 S14 A15	R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 3.42Å; R7-L11 VanDerWaalsContact O-N 3.12Å; T8-L11 PolarHBondContact O-N 3.23Å; L11-S14 WeakPolarHBondContact O-CB 3.49Å; L11-S14 PolarHBondContact O-N 2.93Å; L11-A15 PolarHBondContact O-N 3.06Å
12	L	43.9	Very low	42.3	Very low	128 Å²	128	106.1 Å²	106.1	67%	0.67	58%	0.583	S	S	*	*	H	α-helix	trans	-66.9	-40.5	176	-72.6	167.8	0	0	0	112	T8 S14 A15 A16	T8-L12 WeakPolarHBondContact O-CG 3.31Å; T8-L12 PolarHBondContact O-N 2.63Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-A15 PolarHBondContact O-N 3.26Å; L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 2.92Å
13	L	41.3	Very low	42.9	Very low	99 Å²	99	96.7 Å²	96.7	52%	0.518	55%	0.548	S	S	.	.	H	α-helix	trans	-65.4	-35.3	172.3	-76.5	163.1	0	0	0	112	V9 L17	V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 WeakPolarHBondContact O-CB 3.34Å; V9-L13 WeakPolarHBondContact O-CD1 3.42Å; V9-L13 WeakPolarHBondContact O-CG 3.09Å; V9-L13 PolarHBondContact O-N 3.03Å; L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 WeakPolarHBondContact O-CD1 3.17Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 3.29Å
14	S	39.7	Very low	43.7	Very low	61 Å²	61	93 Å²	93	43%	0.427	53%	0.532	S	S	.	.	H	α-helix	trans	-66.7	-41.6	175.6	-52.5	0	0	0	0	111.8	L10 L11 L12 L17 A18	L10-S14 WeakPolarHBondContact O-CB 3.36Å; L10-S14 PolarHBondContact O-N 2.94Å; L10-S14 PolarHBondContact O-OG 3.09Å; L11-S14 WeakPolarHBondContact O-CB 3.49Å; L11-S14 PolarHBondContact O-N 2.93Å; L12-S14 VanDerWaalsContact C-N 3.32Å; S14-L17 PolarHBondContact O-N 3.02Å; S14-A18 VanDerWaalsContact O-CB 3.26Å; S14-A18 WeakPolarHBondContact O-CB 3.24Å; S14-A18 PolarHBondContact O-N 2.93Å
15	A	43.7	Very low	45.4	Very low	51 Å²	51	88.2 Å²	88.2	42%	0.421	51%	0.507	S	S	.	.	H	α-helix	trans	-67.7	-44.1	176.8	0	0	0	0	0	111.3	L11 L12 A18 L19	L11-A15 PolarHBondContact O-N 3.06Å; L12-A15 PolarHBondContact O-N 3.26Å; A15-A18 PolarHBondContact O-N 2.88Å; A15-L19 WeakPolarHBondContact O-CB 3.43Å; A15-L19 WeakPolarHBondContact O-CD1 3.25Å; A15-L19 PolarHBondContact O-N 3.28Å
16	A	44.2	Very low	47.7	Very low	43 Å²	43	88.1 Å²	88.1	36%	0.355	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-40.1	174.4	0	0	0	0	0	112.5	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 2.92Å; A16-L19 PolarHBondContact O-N 3.42Å; A16-T20 WeakPolarHBondContact O-CG2 3.48Å; A16-T20 PolarHBondContact O-N 2.88Å; A16-T20 PolarHBondContact O-OG1 3.13Å
17	L	38.6	Very low	50	Low	109 Å²	109	86 Å²	86	57%	0.571	49%	0.487	S	S	*	.	H	α-helix	trans	-68.4	-41.8	176.5	-79.5	162.5	0	0	0	112.3	L13 S14 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 WeakPolarHBondContact O-CD1 3.17Å; L13-L17 VanDerWaalsContact O-CG 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 3.29Å; S14-L17 PolarHBondContact O-N 3.02Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 2.86Å; L17-T20 VanDerWaalsContact CA-OG1 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.4Å; L17-T20 PolarHBondContact O-N 3.01Å; L17-T20 PolarHBondContact O-OG1 2.99Å; L17-E21 PolarHBondContact O-N 3.15Å
18	A	37.3	Very low	52.4	Low	53 Å²	53	76.5 Å²	76.5	44%	0.438	45%	0.454	S	S	.	.	H	α-helix	trans	-63.3	-38.8	175	0	0	0	0	0	111.7	S14 A15 E21 T22	S14-A18 VanDerWaalsContact O-CB 3.26Å; S14-A18 WeakPolarHBondContact O-CB 3.24Å; S14-A18 PolarHBondContact O-N 2.93Å; A15-A18 PolarHBondContact O-N 2.88Å; A18-E21 PolarHBondContact O-N 3.07Å; A18-T22 VanDerWaalsContact O-CG2 3.29Å; A18-T22 WeakPolarHBondContact O-CG2 3.22Å; A18-T22 PolarHBondContact O-N 3.19Å; A18-T22 PolarHBondContact O-OG1 2.88Å
19	L	37.7	Very low	54.8	Low	90 Å²	90	71.9 Å²	71.9	47%	0.471	43%	0.426	S	S	.	.	H	α-helix	trans	-67.9	-34.7	173.5	-87.6	149	0	0	0	112.6	A15 A16 L17 T22	A15-L19 WeakPolarHBondContact O-CB 3.43Å; A15-L19 WeakPolarHBondContact O-CD1 3.25Å; A15-L19 PolarHBondContact O-N 3.28Å; A16-L19 PolarHBondContact O-N 3.42Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 2.86Å; L19-T22 PolarHBondContact O-OG1 2.86Å; L19-T22 VanDerWaalsContact O-OG1 3.11Å
20	T	39.6	Very low	57.1	Low	78 Å²	78	70.9 Å²	70.9	48%	0.479	42%	0.415	S	S	.	.	H	α-helix	trans	-73.4	-31.9	175.4	52.3	0	0	0	0	113.4	A16 L17	A16-T20 WeakPolarHBondContact O-CG2 3.48Å; A16-T20 PolarHBondContact O-N 2.88Å; A16-T20 PolarHBondContact O-OG1 3.13Å; L17-T20 VanDerWaalsContact CA-OG1 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.4Å; L17-T20 PolarHBondContact O-N 3.01Å; L17-T20 PolarHBondContact O-OG1 2.99Å
21	E	37.2	Very low	59.8	Low	163 Å²	163	66.2 Å²	66.2	76%	0.762	39%	0.39	S	S	*	.	H	α-helix	trans	-74.2	-25.5	176.3	-91.4	-173.5	160.9	0	0	112.9	L17 A18	L17-E21 PolarHBondContact O-N 3.15Å; A18-E21 PolarHBondContact O-N 3.07Å
22	T	44.7	Very low	62.2	Low	88 Å²	88	64.5 Å²	64.5	54%	0.54	38%	0.378	S	S	.	.	H	α-helix	trans	-81.3	-14.6	-177.2	52.1	0	0	0	0	114.8	A18 L19	A18-T22 VanDerWaalsContact O-CG2 3.29Å; A18-T22 WeakPolarHBondContact O-CG2 3.22Å; A18-T22 PolarHBondContact O-N 3.19Å; A18-T22 PolarHBondContact O-OG1 2.88Å; L19-T22 PolarHBondContact O-OG1 2.86Å; L19-T22 VanDerWaalsContact O-OG1 3.11Å
23	W	46.9	Very low	64.8	Low	47 Å²	47	58.5 Å²	58.5	18%	0.178	35%	0.346	C	S	.	.	H	α-helix	trans	-90.8	-34.2	-172.8	-78.2	51.2	0	0	0	113.6	G25 E236 E288	W23-G25 PolarHBondContact O-N 3.18Å; W23-E236 HydrophobicContact CE3-CB 4.5Å; W23-E236 HydrophobicContact CE3-CG 4.35Å; W23-E236 HydrophobicContact CH2-CB 3.91Å; W23-E236 HydrophobicContact CH2-CG 3.29Å; W23-E236 WeakPolarHBondContact CH2-O 3.37Å; W23-E236 HydrophobicContact CZ2-CB 4.42Å; W23-E236 HydrophobicContact CZ2-CG 3.4Å; W23-E236 HydrophobicContact CZ3-CB 3.9Å; W23-E236 HydrophobicContact CZ3-CG 3.76Å; W23-E236 WeakPolarHBondContact CZ3-O 3.47Å; W23-E288 HydrophobicContact CB-CB 4.35Å; W23-E288 HydrophobicContact CB-CG 4.27Å; W23-E288 HydrophobicContact CE3-CB 3.9Å
24	A	55.2	Low	67.6	Low	63 Å²	63	55.5 Å²	55.5	52%	0.521	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	100.3	-176.9	0	0	0	0	0	111.4
25	G	75.6	Confident	70.4	Confident	26 Å²	26	52.7 Å²	52.7	27%	0.268	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.4	10	161	0	0	0	0	0	117.6	W23 P129	W23-G25 PolarHBondContact O-N 3.18Å; G25-P129 VanDerWaalsContact O-CA 3.28Å; G25-P129 WeakPolarHBondContact O-CA 3.46Å
26	S	91.4	Very high	73	Confident	58 Å²	58	53.1 Å²	53.1	41%	0.406	31%	0.306	S	S	.	.			trans	-82.4	142.2	164.1	62.3	0	0	0	0	110.8	L127	S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.47Å; S26-L127 WeakPolarHBondContact CB-O 3.39Å
27	H	96.3	Very high	75.5	Confident	32 Å²	32	52 Å²	52	15%	0.148	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.5	179.7	-68.2	-76	0	0	0	111.1	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.37Å; H27-D53 IonicContact CE1-OD2 2.96Å; H27-D53 IonicContact CG-OD2 2.98Å; H27-D53 IonicContact ND1-OD1 3.77Å; H27-D53 IonicContact ND1-OD2 2.69Å; H27-D53 PolarHBondContact ND1-OD2 3.11Å; H27-D126 CarbonylContact O-C 3.6Å; H27-D126 WeakPolarHBondContact O-CA 3.08Å; H27-L127 PolarHBondContact N-O 2.94Å; H27-L127 PolarHBondContact O-N 3.02Å; H27-L192 HydrophobicContact CB-CD1 4.45Å; H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.22Å
28	S	98	Very high	78.2	Confident	24 Å²	24	50.4 Å²	50.4	17%	0.168	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.7	179.7	65.3	0	0	0	0	112	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.38Å; S28-D53 PolarHBondContact N-OD1 2.89Å; S28-D53 PolarHBondContact O-N 3.35Å; S28-C125 WeakPolarHBondContact CA-O 3.28Å; S28-D126 WeakPolarHBondContact CB-OD1 3.14Å
29	M	98.7	Very high	80.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.1	167.7	-176.1	170.1	62.9	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.28Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 HydrophobicContact SD-CE2 4.09Å; M29-Y51 WeakPolarHBondContact CA-O 3.47Å; M29-V52 HydrophobicContact CG-CG2 4.36Å; M29-F57 HydrophobicContact CG-CE1 4.49Å; M29-F57 HydrophobicContact SD-CZ 4.34Å; M29-G124 CarbonylContact O-C 3.49Å; M29-G124 WeakPolarHBondContact O-CA 3.44Å; M29-C125 PolarHBondContact N-O 3.49Å; M29-C125 PolarHBondContact O-N 3.29Å; M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.23Å; M29-C188 VanDerWaalsContact CE-SG 3.53Å; M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.43Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.33Å; M29-L192 HydrophobicContact SD-CB 4.45Å; M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å
30	R	98.7	Very high	83.3	Confident	48 Å²	48	50.4 Å²	50.4	18%	0.181	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.1	-175.8	-57.2	-63.9	-177.4	77.6	2.9	110.7	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.49Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 4.02Å; R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.33Å; R30-Y51 PolarHBondContact N-O 2.82Å; R30-Y51 PolarHBondContact O-N 2.93Å; R30-D126 IonicContact CZ-OD1 3.9Å; R30-D126 IonicContact NE-OD1 3.64Å; R30-D126 PolarHBondContact NE-OD1 3.43Å; R30-D126 VanDerWaalsContact NE-OD1 3.15Å; R30-D126 VanDerWaalsContact NH2-CG 3.27Å; R30-D126 IonicContact NH2-OD1 3.91Å; R30-D126 PolarHBondContact NH2-OD1 3.01Å; R30-D126 IonicContact NH2-OD2 2.83Å; R30-D126 PolarHBondContact NH2-OD2 3.17Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.28Å; R30-Y137 PolarHBondContact NH2-OH 3.04Å
31	Y	98.8	Very high	85.8	Confident	9 Å²	9	56.7 Å²	56.7	4%	0.035	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.6	169.2	-70.1	-86.4	0	0	0	109.9	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.28Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 HydrophobicContact SD-CE2 4.09Å; Y31-V49 WeakPolarHBondContact CA-O 3.34Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.76Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.37Å; Y31-V58 HydrophobicContact CE1-CG2 3.89Å; Y31-M122 WeakPolarHBondContact O-CA 3.29Å; Y31-Y123 AromaticContact CD2-CE2 3.98Å; Y31-Y123 HydrophobicContact CD2-CE2 3.98Å; Y31-Y123 AromaticContact CD2-CZ 3.87Å; Y31-Y123 HydrophobicContact CG-CE1 4.26Å; Y31-Y123 HydrophobicContact CG-CE2 4.45Å; Y31-Y123 AromaticContact CG-CZ 3.88Å; Y31-Y123 PolarHBondContact N-O 3.27Å; Y31-Y123 PolarHBondContact O-N 2.59Å; Y31-Y123 VanDerWaalsContact O-N 3.15Å
32	F	98.9	Very high	88.4	Confident	85 Å²	85	51.7 Å²	51.7	37%	0.373	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.3	176.2	-58.3	-95.1	0	0	0	108.7	R30 T48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.49Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 4.02Å; F32-T48 VanDerWaalsContact O-CA 3.23Å; F32-T48 WeakPolarHBondContact O-CA 3.19Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 2.83Å; F32-V49 PolarHBondContact O-N 2.82Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; F32-R121 WeakPolarHBondContact CA-O 3.44Å; F32-M122 HydrophobicContact CD1-CB 3.92Å; F32-M122 HydrophobicContact CD1-CG 3.73Å; F32-M122 HydrophobicContact CE1-CB 3.98Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CZ-CG 3.91Å
33	H	98.8	Very high	90.8	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.9	175.4	-60.1	177.9	0	0	0	108.7	F46 I47 T48 Y98 Q120 R121 Y123	H33-F46 HydrophobicContact CB-CE2 3.95Å; H33-F46 HydrophobicContact CB-CZ 4.16Å; H33-I47 WeakPolarHBondContact CA-O 3.36Å; H33-T48 VanDerWaalsContact CD2-CB 3.48Å; H33-T48 WeakPolarHBondContact CD2-CB 3.18Å; H33-T48 PolarHBondContact CD2-OG1 3.3Å; H33-T48 PolarHBondContact NE2-OG1 2.81Å; H33-Y98 HydrophobicContact CB-CE1 3.86Å; H33-Y98 WeakPolarHBondContact CB-OH 3.49Å; H33-Y98 AromaticContact ND1-CE2 3.88Å; H33-Y98 AromaticContact ND1-CZ 3.62Å; H33-Y98 PolarHBondContact ND1-OH 2.89Å; H33-Q120 CarbonylContact O-C 3.48Å; H33-Q120 VanDerWaalsContact O-CA 3.27Å; H33-Q120 WeakPolarHBondContact O-CA 3.5Å; H33-R121 HydrophobicContact CB-CB 4.22Å; H33-R121 PolarHBondContact N-O 3.1Å; H33-R121 PolarHBondContact O-N 2.94Å; H33-Y123 AromaticContact CE1-CE1 3.42Å; H33-Y123 VanDerWaalsContact CE1-CE1 3.42Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.39Å; H33-Y123 AromaticContact NE2-CE1 3.42Å; H33-Y123 WeakPolarHBondContact NE2-CE1 3.17Å; H33-Y123 AromaticContact NE2-CZ 3.96Å
34	T	98.8	Very high	93.2	Very high	36 Å²	36	50.2 Å²	50.2	22%	0.221	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	122.3	174.2	-58.4	0	0	0	0	109	M36 F46 I47 T118 Q120	T34-M36 HydrophobicContact CG2-CE 4.46Å; T34-M36 HydrophobicContact CG2-CG 4Å; T34-M36 HydrophobicContact CG2-SD 4.3Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; T34-I47 PolarHBondContact N-O 2.8Å; T34-I47 PolarHBondContact O-N 3.41Å; T34-T118 HydrophobicContact CG2-CG2 4.12Å; T34-Q120 HydrophobicContact CG2-CG 4.03Å
35	A	98.6	Very high	95.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.7	168.3	0	0	0	0	0	110.1	R45 F46 Y98 L102 T118 W119	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 VanDerWaalsContact CA-O 3.27Å; A35-R45 WeakPolarHBondContact CA-O 3.43Å; A35-F46 HydrophobicContact CB-CD2 4.18Å; A35-Y98 HydrophobicContact CB-CD1 3.63Å; A35-Y98 HydrophobicContact CB-CG 4.1Å; A35-L102 HydrophobicContact CB-CD1 3.82Å; A35-T118 CarbonylContact O-C 3.51Å; A35-T118 WeakPolarHBondContact O-CA 3.33Å; A35-W119 PolarHBondContact N-O 3.25Å; A35-W119 PolarHBondContact O-N 3.2Å
36	M	98.3	Very high	96.3	Very high	61 Å²	61	50 Å²	50	30%	0.3	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117	-179.2	-63.7	166.7	-70.6	0	0	108.9	T34 P44 R45 I47 H117 T118	T34-M36 HydrophobicContact CG2-CE 4.46Å; T34-M36 HydrophobicContact CG2-CG 4Å; T34-M36 HydrophobicContact CG2-SD 4.3Å; M36-P44 CarbonylContact O-C 3.56Å; M36-P44 WeakPolarHBondContact O-CA 3.47Å; M36-P44 WeakPolarHBondContact O-CB 3.46Å; M36-R45 HydrophobicContact CE-CB 4.42Å; M36-R45 HydrophobicContact CE-CG 4.46Å; M36-R45 PolarHBondContact N-O 3.36Å; M36-R45 PolarHBondContact O-N 3.12Å; M36-I47 HydrophobicContact CE-CD1 4.05Å; M36-H117 WeakPolarHBondContact CA-O 3.4Å; M36-T118 HydrophobicContact CG-CG2 4.25Å
37	S	97.4	Very high	96.7	Very high	18 Å²	18	48.9 Å²	48.9	13%	0.126	26%	0.264	C	S	.	.			trans	-68.8	150.5	171.5	73.1	0	0	0	0	110.1	S116 H117	S37-S116 PolarHBondContact O-OG 3.49Å; S37-H117 PolarHBondContact N-O 2.8Å; S37-H117 PolarHBondContact OG-N 2.96Å; S37-H117 PolarHBondContact OG-O 3.21Å
38	R	95.4	Very high	96.8	Very high	77 Å²	77	47.4 Å²	47.4	29%	0.291	26%	0.257	S	S	.	.			trans	-141	73.3	179.2	53.5	174.2	175.7	-159.3	-11.7	110.7	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.95Å; R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 VanDerWaalsContact CD-O 3.29Å; R38-R41 WeakPolarHBondContact CD-O 3.42Å; R38-R41 HydrophobicContact CG-CB 4.2Å; R38-R41 PolarHBondContact NE-O 3.34Å; R38-R41 PolarHBondContact O-N 3.03Å; R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 2.81Å; R38-E43 PolarHBondContact NH2-O 3.2Å; R38-D63 IonicContact CZ-OD1 3.72Å; R38-D63 IonicContact CZ-OD2 3.15Å; R38-D63 IonicContact NH1-OD1 2.84Å; R38-D63 PolarHBondContact NH1-OD1 3.48Å; R38-D63 IonicContact NH1-OD2 3.79Å; R38-D63 PolarHBondContact NH1-OD2 3.41Å; R38-D63 IonicContact NH2-OD1 2.78Å; R38-D63 PolarHBondContact NH2-OD1 3.33Å; R38-D63 IonicContact NH2-OD2 3.68Å
39	P	91.6	Very high	96.8	Very high	54 Å²	54	47.7 Å²	47.7	35%	0.351	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	130.5	-176.1	-26.8	34.5	0	0	0	112.3	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.07Å; P39-E113 WeakPolarHBondContact CB-O 3.3Å; P39-E113 VanDerWaalsContact CG-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.37Å; P39-G115 WeakPolarHBondContact CG-O 3.3Å
40	G	90.6	Very high	96.8	Very high	89 Å²	89	47.7 Å²	47.7	92%	0.918	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	1.6	-178	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 2.95Å
41	R	92.8	Very high	96.8	Very high	209 Å²	209	49 Å²	49	79%	0.789	26%	0.263	S	S	*	.	S	Bend	trans	-123.2	23.2	-179.9	-59.2	-175	-179.4	-178.1	0.6	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 VanDerWaalsContact CD-O 3.29Å; R38-R41 WeakPolarHBondContact CD-O 3.42Å; R38-R41 HydrophobicContact CG-CB 4.2Å; R38-R41 PolarHBondContact NE-O 3.34Å; R38-R41 PolarHBondContact O-N 3.03Å; P39-R41 PolarHBondContact O-N 3.07Å
42	G	91.4	Very high	96.8	Very high	58 Å²	58	48.5 Å²	48.5	60%	0.598	26%	0.262	S	S	*	.	S	Bend	trans	97.8	-164.2	178.6	0	0	0	0	0	113.9
43	E	94.9	Very high	96.7	Very high	83 Å²	83	45.8 Å²	45.8	39%	0.388	25%	0.251	S	S	.	.	S	Bend	trans	-70.2	153.7	-177.7	-70.2	-63.7	165.7	0	0	112.4	R38 R45 R99 R103	R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 2.81Å; R38-E43 PolarHBondContact NH2-O 3.2Å; E43-R45 PolarHBondContact O-N 3.03Å; E43-R99 WeakPolarHBondContact OE2-CD 3.26Å; E43-R99 IonicContact OE2-CZ 3.44Å; E43-R99 IonicContact OE2-NE 3.64Å; E43-R99 PolarHBondContact OE2-NE 2.85Å; E43-R99 IonicContact OE2-NH1 2.99Å; E43-R99 IonicContact OE2-NH2 3.86Å; E43-R103 IonicContact OE1-NH2 3.68Å; E43-R103 IonicContact OE2-NH2 3.72Å
44	P	96.8	Very high	96.6	Very high	22 Å²	22	48.7 Å²	48.7	14%	0.143	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-52.1	135.8	175.1	-26.4	34.9	0	0	0	112.2	M36 R99 L102	M36-P44 CarbonylContact O-C 3.56Å; M36-P44 WeakPolarHBondContact O-CA 3.47Å; M36-P44 WeakPolarHBondContact O-CB 3.46Å; P44-R99 HydrophobicContact CG-CB 4.43Å; P44-R99 HydrophobicContact CG-CG 4.15Å; P44-L102 HydrophobicContact CB-CD1 3.67Å; P44-L102 HydrophobicContact CG-CD1 3.91Å
45	R	98.1	Very high	96.6	Very high	81 Å²	81	47.6 Å²	47.6	31%	0.306	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.6	174.2	-176.2	-179.5	-175.9	179.1	-0.6	108.9	A35 M36 E43 I47 D61 D63	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 VanDerWaalsContact CA-O 3.27Å; A35-R45 WeakPolarHBondContact CA-O 3.43Å; M36-R45 HydrophobicContact CE-CB 4.42Å; M36-R45 HydrophobicContact CE-CG 4.46Å; M36-R45 PolarHBondContact N-O 3.36Å; M36-R45 PolarHBondContact O-N 3.12Å; E43-R45 PolarHBondContact O-N 3.03Å; R45-I47 HydrophobicContact CG-CG1 4.27Å; R45-D61 IonicContact CZ-OD1 3.75Å; R45-D61 IonicContact CZ-OD2 2.63Å; R45-D61 IonicContact NE-OD1 2.99Å; R45-D61 PolarHBondContact NE-OD1 3.49Å; R45-D61 IonicContact NE-OD2 3.93Å; R45-D61 IonicContact NH2-OD1 3.49Å; R45-D61 PolarHBondContact NH2-OD1 2.75Å; R45-D61 IonicContact NH2-OD2 4Å; R45-D61 PolarHBondContact NH2-OD2 2.63Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.49Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 3.55Å
46	F	98.7	Very high	96.5	Very high	2 Å²	2	50 Å²	50	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.7	175.8	179.2	-101.7	0	0	0	110.3	H33 T34 A35 T48 F60 S62 N94 T95 Y98	H33-F46 HydrophobicContact CB-CE2 3.95Å; H33-F46 HydrophobicContact CB-CZ 4.16Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; A35-F46 HydrophobicContact CB-CD2 4.18Å; F46-T48 HydrophobicContact CE1-CG2 3.68Å; F46-T48 HydrophobicContact CZ-CG2 4.18Å; F46-F60 AromaticContact CD1-CD1 3.96Å; F46-F60 HydrophobicContact CD1-CD1 3.96Å; F46-F60 AromaticContact CD1-CE1 3.94Å; F46-F60 HydrophobicContact CD1-CE1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 4.29Å; F46-S62 PolarHBondContact N-OG 3.44Å; F46-S62 PolarHBondContact O-N 2.67Å; F46-S62 PolarHBondContact O-OG 3.05Å; F46-N94 HydrophobicContact CE1-CB 4.02Å; F46-N94 HydrophobicContact CE2-CB 4.31Å; F46-N94 HydrophobicContact CZ-CB 3.67Å; F46-T95 HydrophobicContact CB-CG2 3.96Å; F46-T95 VanDerWaalsContact CD1-OG1 3.26Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.38Å; F46-Y98 HydrophobicContact CD2-CD1 4.12Å; F46-Y98 HydrophobicContact CD2-CD2 4.37Å; F46-Y98 AromaticContact CD2-CG 3.92Å; F46-Y98 HydrophobicContact CD2-CG 3.92Å; F46-Y98 AromaticContact CE2-CD1 3.87Å; F46-Y98 HydrophobicContact CE2-CD1 3.87Å; F46-Y98 AromaticContact CE2-CD2 3.78Å; F46-Y98 HydrophobicContact CE2-CD2 3.78Å; F46-Y98 HydrophobicContact CE2-CE1 4.13Å; F46-Y98 HydrophobicContact CE2-CE2 4.01Å; F46-Y98 AromaticContact CE2-CG 3.71Å; F46-Y98 HydrophobicContact CE2-CG 3.71Å
47	I	98.8	Very high	96.5	Very high	35 Å²	35	47 Å²	47	18%	0.179	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.1	175.7	-56.1	175.2	0	0	0	107.7	H33 T34 M36 R45 F60	H33-I47 WeakPolarHBondContact CA-O 3.36Å; T34-I47 PolarHBondContact N-O 2.8Å; T34-I47 PolarHBondContact O-N 3.41Å; M36-I47 HydrophobicContact CE-CD1 4.05Å; R45-I47 HydrophobicContact CG-CG1 4.27Å; I47-F60 WeakPolarHBondContact CA-O 3.44Å
48	T	98.8	Very high	96.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.3	167.2	166.1	0	0	0	0	110.5	F32 H33 F46 R59 F60	F32-T48 VanDerWaalsContact O-CA 3.23Å; F32-T48 WeakPolarHBondContact O-CA 3.19Å; H33-T48 VanDerWaalsContact CD2-CB 3.48Å; H33-T48 WeakPolarHBondContact CD2-CB 3.18Å; H33-T48 PolarHBondContact CD2-OG1 3.3Å; H33-T48 PolarHBondContact NE2-OG1 2.81Å; F46-T48 HydrophobicContact CE1-CG2 3.68Å; F46-T48 HydrophobicContact CZ-CG2 4.18Å; T48-R59 CarbonylContact O-C 3.53Å; T48-R59 WeakPolarHBondContact O-CA 3.36Å; T48-F60 HydrophobicContact CG2-CB 3.63Å; T48-F60 HydrophobicContact CG2-CD1 4.28Å; T48-F60 HydrophobicContact CG2-CG 4.3Å; T48-F60 PolarHBondContact N-O 3.43Å; T48-F60 PolarHBondContact O-N 2.83Å
49	V	98.9	Very high	96.7	Very high	31 Å²	31	46.5 Å²	46.5	19%	0.188	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.5	172.3	-67.7	0	0	0	0	109.6	Y31 F32 Y51 L56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 2.83Å; F32-V49 PolarHBondContact O-N 2.82Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-L56 HydrophobicContact CB-CD1 3.69Å; V49-L56 HydrophobicContact CG1-CD1 3.99Å; V49-V58 WeakPolarHBondContact CA-O 3.43Å; V49-R59 HydrophobicContact CG1-CB 4.3Å; V49-R59 HydrophobicContact CG1-CG 4.15Å
50	G	98.8	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.1	175.3	0	0	0	0	0	110.4	R30 F57 V58	R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.33Å; G50-F57 WeakPolarHBondContact O-CD1 3.41Å; G50-F57 PolarHBondContact O-N 2.96Å; G50-V58 PolarHBondContact N-O 3.33Å; G50-V58 PolarHBondContact O-N 2.9Å
51	Y	98.8	Very high	97.5	Very high	74 Å²	74	40.6 Å²	40.6	29%	0.29	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.1	177.7	-76.8	-101.6	0	0	0	110.2	M29 R30 F32 V49 T55 L56	M29-Y51 WeakPolarHBondContact CA-O 3.47Å; R30-Y51 PolarHBondContact N-O 2.82Å; R30-Y51 PolarHBondContact O-N 2.93Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; Y51-L56 HydrophobicContact CD1-CB 4.16Å; Y51-L56 VanDerWaalsContact CD1-N 3.33Å; Y51-L56 HydrophobicContact CD2-CD1 4.08Å; Y51-L56 HydrophobicContact CE1-CB 3.62Å; Y51-L56 HydrophobicContact CE1-CD1 4.41Å; Y51-L56 HydrophobicContact CE2-CB 4.31Å; Y51-L56 HydrophobicContact CE2-CD1 3.53Å; Y51-L56 HydrophobicContact CE2-CG 4.49Å
52	V	98.4	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.9	156.3	177.1	0	0	0	0	106.1	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.38Å; M29-V52 HydrophobicContact CG-CG2 4.36Å; V52-D54 PolarHBondContact O-N 2.89Å; V52-T55 PolarHBondContact N-O 3.29Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 2.9Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4Å; V52-W75 HydrophobicContact CB-CH2 4.49Å; V52-W75 HydrophobicContact CB-CZ2 4.49Å; V52-W75 HydrophobicContact CG2-CH2 3.91Å; V52-W75 HydrophobicContact CG2-CZ2 4.39Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.29Å; V52-Y195 HydrophobicContact CG2-CD2 4Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.5Å
53	D	96.8	Very high	98	Very high	28 Å²	28	32.3 Å²	32.3	15%	0.15	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-124.1	-165.6	-52	-38.5	0	0	0	110.2	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.37Å; H27-D53 IonicContact CE1-OD2 2.96Å; H27-D53 IonicContact CG-OD2 2.98Å; H27-D53 IonicContact ND1-OD1 3.77Å; H27-D53 IonicContact ND1-OD2 2.69Å; H27-D53 PolarHBondContact ND1-OD2 3.11Å; S28-D53 PolarHBondContact N-OD1 2.89Å; S28-D53 PolarHBondContact O-N 3.35Å
54	D	96.8	Very high	98.1	Very high	62 Å²	62	30.1 Å²	30.1	33%	0.332	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	10.1	178.1	-60.7	-57.1	0	0	0	113.8	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.89Å; D54-Y233 HydrophobicContact CB-CE2 3.97Å; D54-P234 VanDerWaalsContact OD2-CB 3.23Å; D54-P234 WeakPolarHBondContact OD2-CB 3.22Å; D54-A235 HydrophobicContact CB-CB 4.35Å; D54-A235 WeakPolarHBondContact OD2-CB 3.39Å; D54-A235 PolarHBondContact OD2-N 3.14Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.76Å
55	T	97.3	Very high	98.1	Very high	14 Å²	14	36.4 Å²	36.4	9%	0.086	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	111.8	-176.7	-59.4	0	0	0	0	112	Y51 V52 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; V52-T55 PolarHBondContact N-O 3.29Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 2.9Å; T55-F57 PolarHBondContact O-N 2.75Å; T55-A73 HydrophobicContact CG2-CB 4.5Å; T55-L203 HydrophobicContact CG2-CD2 4.09Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.21Å; T55-Y233 PolarHBondContact OG1-OH 2.84Å
56	L	98	Very high	98	Very high	50 Å²	50	35.9 Å²	35.9	26%	0.262	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	123.8	172	178	69.6	0	0	0	110.1	V49 Y51 R72	V49-L56 HydrophobicContact CB-CD1 3.69Å; V49-L56 HydrophobicContact CG1-CD1 3.99Å; Y51-L56 HydrophobicContact CD1-CB 4.16Å; Y51-L56 VanDerWaalsContact CD1-N 3.33Å; Y51-L56 HydrophobicContact CD2-CD1 4.08Å; Y51-L56 HydrophobicContact CE1-CB 3.62Å; Y51-L56 HydrophobicContact CE1-CD1 4.41Å; Y51-L56 HydrophobicContact CE2-CB 4.31Å; Y51-L56 HydrophobicContact CE2-CD1 3.53Å; Y51-L56 HydrophobicContact CE2-CG 4.49Å; L56-R72 HydrophobicContact CD2-CB 3.94Å; L56-R72 HydrophobicContact CD2-CG 3.92Å; L56-R72 HydrophobicContact CG-CB 3.75Å; L56-R72 HydrophobicContact CG-CG 4.05Å; L56-R72 CarbonylContact O-C 3.57Å
57	F	98.4	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-24.1	-178.7	78.3	-84.1	0	0	0	114.6	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.49Å; M29-F57 HydrophobicContact SD-CZ 4.34Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.76Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.37Å; G50-F57 WeakPolarHBondContact O-CD1 3.41Å; G50-F57 PolarHBondContact O-N 2.96Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4Å; T55-F57 PolarHBondContact O-N 2.75Å; F57-R72 PolarHBondContact O-N 3.19Å; F57-A73 HydrophobicContact CB-CB 4.11Å; F57-W75 HydrophobicContact CB-CH2 3.23Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 4.14Å; F57-W75 HydrophobicContact CD1-CH2 4.1Å; F57-W75 AromaticContact CD2-CH2 3.67Å; F57-W75 HydrophobicContact CD2-CH2 3.67Å; F57-W75 HydrophobicContact CD2-CZ3 4.05Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.02Å; F57-W75 HydrophobicContact CG-CZ3 4.26Å; F57-I76 HydrophobicContact CD2-CB 4.38Å; F57-I76 HydrophobicContact CD2-CD1 3.99Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.24Å; F57-I76 WeakPolarHBondContact O-CG2 3.39Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.71Å; F57-Y195 HydrophobicContact CE2-CE2 3.71Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.83Å; F57-Y195 HydrophobicContact CZ-CE2 3.83Å
58	V	98.6	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	150.7	175.6	-72.9	0	0	0	0	112.7	Y31 V49 G50 K69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.89Å; V49-V58 WeakPolarHBondContact CA-O 3.43Å; G50-V58 PolarHBondContact N-O 3.33Å; G50-V58 PolarHBondContact O-N 2.9Å; V58-K69 HydrophobicContact CB-CD 4.09Å; V58-K69 HydrophobicContact CB-CG 4.15Å; V58-K69 HydrophobicContact CG1-CG 4.24Å; V58-K69 HydrophobicContact CG2-CD 4.41Å; V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 3.33Å; V58-I76 HydrophobicContact CG1-CG1 4.35Å; V58-W84 HydrophobicContact CG1-CH2 4.06Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å
59	R	98.6	Very high	97.9	Very high	83 Å²	83	43.5 Å²	43.5	31%	0.313	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.6	173.1	177.1	175.4	171.6	159.5	-1.2	111.1	T48 V49 D61 E70 R72	T48-R59 CarbonylContact O-C 3.53Å; T48-R59 WeakPolarHBondContact O-CA 3.36Å; V49-R59 HydrophobicContact CG1-CB 4.3Å; V49-R59 HydrophobicContact CG1-CG 4.15Å; R59-D61 IonicContact NH2-OD2 3.53Å; R59-D61 PolarHBondContact NH2-OD2 2.81Å; R59-E70 PolarHBondContact N-O 2.72Å; R59-E70 PolarHBondContact O-N 3.36Å; R59-R72 HydrophobicContact CB-CG 3.95Å
60	F	98.8	Very high	97.9	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.5	162.8	171.4	-78.8	0	0	0	109.1	F46 I47 T48 P67 R68 K69 S91 K92	F46-F60 AromaticContact CD1-CD1 3.96Å; F46-F60 HydrophobicContact CD1-CD1 3.96Å; F46-F60 AromaticContact CD1-CE1 3.94Å; F46-F60 HydrophobicContact CD1-CE1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 4.29Å; I47-F60 WeakPolarHBondContact CA-O 3.44Å; T48-F60 HydrophobicContact CG2-CB 3.63Å; T48-F60 HydrophobicContact CG2-CD1 4.28Å; T48-F60 HydrophobicContact CG2-CG 4.3Å; T48-F60 PolarHBondContact N-O 3.43Å; T48-F60 PolarHBondContact O-N 2.83Å; F60-P67 HydrophobicContact CE2-CB 3.73Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; F60-R68 VanDerWaalsContact CD2-C 3.47Å; F60-R68 WeakPolarHBondContact CD2-O 3.39Å; F60-K69 HydrophobicContact CB-CD 4.07Å; F60-S91 VanDerWaalsContact CD2-CB 3.45Å; F60-K92 HydrophobicContact CE2-CG 4.19Å; F60-K92 HydrophobicContact CZ-CG 4.17Å
61	D	98.7	Very high	97.9	Very high	18 Å²	18	47.6 Å²	47.6	10%	0.096	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	119.7	178.6	-162.3	-28.4	0	0	0	109.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.75Å; R45-D61 IonicContact CZ-OD2 2.63Å; R45-D61 IonicContact NE-OD1 2.99Å; R45-D61 PolarHBondContact NE-OD1 3.49Å; R45-D61 IonicContact NE-OD2 3.93Å; R45-D61 IonicContact NH2-OD1 3.49Å; R45-D61 PolarHBondContact NH2-OD1 2.75Å; R45-D61 IonicContact NH2-OD2 4Å; R45-D61 PolarHBondContact NH2-OD2 2.63Å; R59-D61 IonicContact NH2-OD2 3.53Å; R59-D61 PolarHBondContact NH2-OD2 2.81Å; D61-D63 PolarHBondContact O-N 3.19Å; D61-D63 PolarHBondContact OD1-N 3.1Å; D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 2.71Å
62	S	98.3	Very high	97.8	Very high	26 Å²	26	49.8 Å²	49.8	18%	0.182	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.1	-178	68	0	0	0	0	113.4	F46 P67	F46-S62 PolarHBondContact N-OG 3.44Å; F46-S62 PolarHBondContact O-N 2.67Å; F46-S62 PolarHBondContact O-OG 3.05Å; S62-P67 WeakPolarHBondContact O-CG 3.4Å
63	D	97.4	Very high	97.7	Very high	67 Å²	67	50.4 Å²	50.4	36%	0.358	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.4	179.9	-79.9	4.7	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.72Å; R38-D63 IonicContact CZ-OD2 3.15Å; R38-D63 IonicContact NH1-OD1 2.84Å; R38-D63 PolarHBondContact NH1-OD1 3.48Å; R38-D63 IonicContact NH1-OD2 3.79Å; R38-D63 PolarHBondContact NH1-OD2 3.41Å; R38-D63 IonicContact NH2-OD1 2.78Å; R38-D63 PolarHBondContact NH2-OD1 3.33Å; R38-D63 IonicContact NH2-OD2 3.68Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.49Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 3.55Å; D61-D63 PolarHBondContact O-N 3.19Å; D61-D63 PolarHBondContact OD1-N 3.1Å
64	A	97.2	Very high	97.7	Very high	36 Å²	36	57 Å²	57	30%	0.298	30%	0.295	S	S	.	.	S	Bend	trans	-63.6	149.9	173.6	0	0	0	0	0	111	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 2.71Å; A64-S66 PolarHBondContact O-N 3.37Å; A64-P67 WeakPolarHBondContact O-CD 3.45Å; A64-P67 VanDerWaalsContact O-CG 3.25Å; A64-P67 WeakPolarHBondContact O-CG 3.41Å
65	T	96.2	Very high	97.7	Very high	155 Å²	155	55 Å²	55	95%	0.951	28%	0.283	S	S	*	.	S	Bend	trans	-57.6	-34	179.1	-50.1	0	0	0	0	112.7
66	S	96.4	Very high	97.8	Very high	70 Å²	70	54.4 Å²	54.4	49%	0.49	28%	0.279	S	S	.	.	S	Bend	trans	-133.8	85.3	174.1	-174.2	0	0	0	0	108.9	A64 R68	A64-S66 PolarHBondContact O-N 3.37Å; S66-R68 PolarHBondContact O-N 2.95Å; S66-R68 VanDerWaalsContact O-N 3.08Å
67	P	97.3	Very high	97.7	Very high	35 Å²	35	57.8 Å²	57.8	23%	0.227	29%	0.293	C	S	.	.			trans	-62.5	113.6	-174	-24.4	35.2	0	0	0	111.9	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.73Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; S62-P67 WeakPolarHBondContact O-CG 3.4Å; A64-P67 WeakPolarHBondContact O-CD 3.45Å; A64-P67 VanDerWaalsContact O-CG 3.25Å; A64-P67 WeakPolarHBondContact O-CG 3.41Å; P67-K92 VanDerWaalsContact O-CE 3.29Å; P67-K92 WeakPolarHBondContact O-CE 3.27Å
68	R	98.2	Very high	97.6	Very high	151 Å²	151	63.6 Å²	63.6	57%	0.57	32%	0.32	S	S	*	.			trans	-141.9	158.4	178	-65.2	-173.7	178	-171.1	-4.9	110.2	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.47Å; F60-R68 WeakPolarHBondContact CD2-O 3.39Å; S66-R68 PolarHBondContact O-N 2.95Å; S66-R68 VanDerWaalsContact O-N 3.08Å; R68-E70 PolarHBondContact O-N 2.91Å; R68-T88 HydrophobicContact CB-CG2 4.32Å; R68-T88 HydrophobicContact CG-CG2 4.2Å
69	K	98.5	Very high	97.5	Very high	12 Å²	12	64.2 Å²	64.2	5%	0.052	32%	0.323	C	S	.	.			trans	-72.9	122.1	168.9	-165.3	77.1	112.1	-171.4	0	107.3	V58 F60 W84 E87 T88 S91	V58-K69 HydrophobicContact CB-CD 4.09Å; V58-K69 HydrophobicContact CB-CG 4.15Å; V58-K69 HydrophobicContact CG1-CG 4.24Å; V58-K69 HydrophobicContact CG2-CD 4.41Å; F60-K69 HydrophobicContact CB-CD 4.07Å; K69-W84 HydrophobicContact CB-CE3 4.28Å; K69-W84 HydrophobicContact CG-CE3 4.36Å; K69-W84 HydrophobicContact CG-CZ3 4.16Å; K69-E87 HydrophobicContact CB-CB 3.98Å; K69-E87 HydrophobicContact CG-CB 3.92Å; K69-T88 PolarHBondContact N-OG1 2.94Å; K69-S91 WeakPolarHBondContact CE-OG 3.46Å; K69-S91 PolarHBondContact NZ-OG 2.85Å
70	E	98.4	Very high	97.5	Very high	69 Å²	69	61.9 Å²	61.9	32%	0.322	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.6	-174.9	-65.2	174	165.9	0	0	110.5	V58 R59 R68 R72	V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 3.33Å; R59-E70 PolarHBondContact N-O 2.72Å; R59-E70 PolarHBondContact O-N 3.36Å; R68-E70 PolarHBondContact O-N 2.91Å; E70-R72 IonicContact OE2-CZ 2.74Å; E70-R72 IonicContact OE2-NH2 3.37Å; E70-R72 PolarHBondContact OE2-NH2 2.9Å
71	P	98.3	Very high	97.4	Very high	47 Å²	47	66.5 Å²	66.5	31%	0.305	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	146.9	171.7	29.2	-34.1	0	0	0	111	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.67Å; P71-E77 HydrophobicContact CB-CG 3.81Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.96Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.39Å
72	R	97.8	Very high	97.4	Very high	120 Å²	120	73.7 Å²	73.7	45%	0.453	39%	0.389	S	S	.	.			trans	-131.2	0	175	-62	-65.3	171.9	178.1	-2.8	113.3	L56 F57 R59 E70	L56-R72 HydrophobicContact CD2-CB 3.94Å; L56-R72 HydrophobicContact CD2-CG 3.92Å; L56-R72 HydrophobicContact CG-CB 3.75Å; L56-R72 HydrophobicContact CG-CG 4.05Å; L56-R72 CarbonylContact O-C 3.57Å; F57-R72 PolarHBondContact O-N 3.19Å; R59-R72 HydrophobicContact CB-CG 3.95Å; E70-R72 IonicContact OE2-CZ 2.74Å; E70-R72 IonicContact OE2-NH2 3.37Å; E70-R72 PolarHBondContact OE2-NH2 2.9Å
73	A	96.6	Very high	97.4	Very high	13 Å²	13	73 Å²	73	11%	0.107	38%	0.382	C	S	.	.	S	Bend	trans	-136.5	147	172.1	0	0	0	0	0	110	T55 F57 W75 I76	T55-A73 HydrophobicContact CG2-CB 4.5Å; F57-A73 HydrophobicContact CB-CB 4.11Å; A73-W75 VanDerWaalsContact C-N 3.33Å; A73-W75 HydrophobicContact CB-CD2 4.24Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.08Å; A73-W75 PolarHBondContact O-N 3.43Å; A73-I76 WeakPolarHBondContact O-CG2 2.93Å; A73-I76 PolarHBondContact O-N 3.07Å
74	Q	96.6	Very high	97.4	Very high	168 Å²	168	71.6 Å²	71.6	79%	0.785	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-61.6	-40.1	-176.4	-69.6	176.4	-15.3	0	0	112.5	I76 E77	Q74-I76 PolarHBondContact O-N 3.39Å; Q74-I76 VanDerWaalsContact O-N 3.17Å; Q74-E77 WeakPolarHBondContact O-CB 3.35Å; Q74-E77 PolarHBondContact O-N 2.98Å; Q74-E77 VanDerWaalsContact O-N 3.07Å
75	W	96.7	Very high	97.5	Very high	20 Å²	20	75.1 Å²	75.1	8%	0.076	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-67.7	-15	-176.1	55	-106.6	0	0	0	114.5	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CB-CH2 4.49Å; V52-W75 HydrophobicContact CB-CZ2 4.49Å; V52-W75 HydrophobicContact CG2-CH2 3.91Å; V52-W75 HydrophobicContact CG2-CZ2 4.39Å; F57-W75 HydrophobicContact CB-CH2 3.23Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 4.14Å; F57-W75 HydrophobicContact CD1-CH2 4.1Å; F57-W75 AromaticContact CD2-CH2 3.67Å; F57-W75 HydrophobicContact CD2-CH2 3.67Å; F57-W75 HydrophobicContact CD2-CZ3 4.05Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.02Å; F57-W75 HydrophobicContact CG-CZ3 4.26Å; A73-W75 VanDerWaalsContact C-N 3.33Å; A73-W75 HydrophobicContact CB-CD2 4.24Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.08Å; A73-W75 PolarHBondContact O-N 3.43Å; W75-Q78 WeakPolarHBondContact O-CG 3.32Å; W75-Y195 HydrophobicContact CE3-CD1 4.46Å; W75-Y195 HydrophobicContact CH2-CD2 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.13Å; W75-Y195 AromaticContact CZ3-CD1 3.72Å; W75-Y195 HydrophobicContact CZ3-CD1 3.72Å; W75-Y195 HydrophobicContact CZ3-CD2 4.34Å; W75-Y195 HydrophobicContact CZ3-CE1 4.49Å; W75-Y195 AromaticContact CZ3-CG 3.63Å; W75-Y195 HydrophobicContact CZ3-CG 3.63Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.38Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.22Å; W75-L203 HydrophobicContact CZ2-CG 4.45Å
76	I	97.9	Very high	97.6	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-88.8	-19.4	174.3	-164.1	71.9	0	0	0	111.7	F57 V58 P71 A73 Q74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.38Å; F57-I76 HydrophobicContact CD2-CD1 3.99Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.24Å; F57-I76 WeakPolarHBondContact O-CG2 3.39Å; V58-I76 HydrophobicContact CG1-CG1 4.35Å; P71-I76 HydrophobicContact CB-CG2 3.67Å; A73-I76 WeakPolarHBondContact O-CG2 2.93Å; A73-I76 PolarHBondContact O-N 3.07Å; Q74-I76 PolarHBondContact O-N 3.39Å; Q74-I76 VanDerWaalsContact O-N 3.17Å; I76-Q78 PolarHBondContact O-N 2.94Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.35Å; I76-E79 WeakPolarHBondContact O-CG 3.46Å; I76-E79 PolarHBondContact O-N 3.47Å; I76-Y83 HydrophobicContact CD1-CE1 4.21Å; I76-Y83 HydrophobicContact CG1-CE1 4.23Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.02Å; I76-W84 HydrophobicContact CG2-CH2 4.03Å; I76-W84 HydrophobicContact CG2-CZ2 4.39Å; I76-W84 WeakPolarHBondContact O-CZ2 3.1Å; I76-Y195 HydrophobicContact CD1-CD1 3.81Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å
77	E	96.9	Very high	97.7	Very high	121 Å²	121	70.8 Å²	70.8	57%	0.565	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.4	-176.6	-65.4	-179.9	-172.7	0	0	113.1	P71 Q74 E79	P71-E77 HydrophobicContact CB-CG 3.81Å; P71-E77 HydrophobicContact CG-CG 4.06Å; Q74-E77 WeakPolarHBondContact O-CB 3.35Å; Q74-E77 PolarHBondContact O-N 2.98Å; Q74-E77 VanDerWaalsContact O-N 3.07Å; E77-E79 PolarHBondContact O-N 3.07Å
78	Q	95.9	Very high	97.7	Very high	122 Å²	122	69.6 Å²	69.6	57%	0.57	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.7	176	68.9	-178.2	8.6	0	0	114.2	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.32Å; I76-Q78 PolarHBondContact O-N 2.94Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; Q78-N198 PolarHBondContact NE2-ND2 3.11Å; Q78-N198 PolarHBondContact NE2-OD1 3.35Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.1Å
79	E	97.7	Very high	97.8	Very high	13 Å²	13	67.9 Å²	67.9	6%	0.061	33%	0.333	C	S	.	.	S	Bend	trans	-65.1	137.9	174.8	-65.8	-61.3	164.3	0	0	110.7	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.35Å; I76-E79 WeakPolarHBondContact O-CG 3.46Å; I76-E79 PolarHBondContact O-N 3.47Å; E77-E79 PolarHBondContact O-N 3.07Å; E79-Y83 HydrophobicContact CB-CD1 3.56Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.83Å; E79-Y83 HydrophobicContact CG-CD1 4.05Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.23Å; E79-W84 PolarHBondContact O-NE1 2.94Å; E79-R194 IonicContact OE1-CZ 3.12Å; E79-R194 IonicContact OE1-NE 3.37Å; E79-R194 PolarHBondContact OE1-NE 3.12Å; E79-R194 IonicContact OE1-NH2 3.3Å; E79-R194 PolarHBondContact OE1-NH2 3.36Å; E79-R194 IonicContact OE2-CZ 3.87Å; E79-R194 IonicContact OE2-NE 2.7Å; E79-R194 IonicContact OE2-NH2 2.76Å; E79-R194 PolarHBondContact OE2-NH2 3.12Å; E79-N198 PolarHBondContact OE1-ND2 3.35Å
80	G	97.1	Very high	97.7	Very high	35 Å²	35	70.7 Å²	70.7	36%	0.361	35%	0.348	S	S	.	.			trans	-69.8	168.3	-174.8	0	0	0	0	0	114	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.02Å; G80-Y83 WeakPolarHBondContact O-CB 3.03Å; G80-Y83 PolarHBondContact O-N 3.33Å; G80-Y83 VanDerWaalsContact O-N 3.07Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 3.47Å
81	P	97.7	Very high	97.7	Very high	99 Å²	99	67.4 Å²	67.4	64%	0.643	33%	0.332	S	S	*	.	H	α-helix	trans	-57.4	-34.2	-178.8	22.9	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 3.44Å; P81-W84 PolarHBondContact O-N 3.43Å; P81-W84 VanDerWaalsContact O-N 3.16Å; P81-D85 WeakPolarHBondContact O-CB 3.21Å; P81-D85 PolarHBondContact O-N 3.45Å
82	E	98	Very high	97.7	Very high	169 Å²	169	69.5 Å²	69.5	79%	0.79	34%	0.336	S	S	*	.	H	α-helix	trans	-59.6	-37.8	177.7	-63.8	179.9	-179.8	0	0	112.8	G80 R86	G80-E82 PolarHBondContact O-N 3.02Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 2.59Å
83	Y	98.2	Very high	97.8	Very high	10 Å²	10	67.2 Å²	67.2	4%	0.039	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-51.8	174.7	171	-94.7	0	0	0	109.9	I76 E79 G80 P81 D85 R86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.21Å; I76-Y83 HydrophobicContact CG1-CE1 4.23Å; E79-Y83 HydrophobicContact CB-CD1 3.56Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.83Å; E79-Y83 HydrophobicContact CG-CD1 4.05Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.23Å; G80-Y83 WeakPolarHBondContact O-CB 3.03Å; G80-Y83 PolarHBondContact O-N 3.33Å; G80-Y83 VanDerWaalsContact O-N 3.07Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 3.44Å; Y83-D85 PolarHBondContact O-N 2.9Å; Y83-R86 PolarHBondContact O-N 3.25Å; Y83-E87 HydrophobicContact CD1-CG 4.29Å; Y83-E87 HydrophobicContact CD2-CG 4.02Å; Y83-E87 HydrophobicContact CE1-CG 3.96Å; Y83-E87 HydrophobicContact CE2-CG 3.65Å; Y83-E87 HydrophobicContact CG-CG 4.31Å; Y83-E87 WeakPolarHBondContact O-CB 3.5Å; Y83-E87 VanDerWaalsContact O-CG 3.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.33Å; Y83-E87 PolarHBondContact O-N 2.93Å; Y83-W191 AromaticContact CD2-CH2 3.65Å; Y83-W191 HydrophobicContact CD2-CH2 3.65Å; Y83-W191 HydrophobicContact CD2-CZ2 4.23Å; Y83-W191 HydrophobicContact CD2-CZ3 4.01Å; Y83-W191 HydrophobicContact CE2-CE3 4.47Å; Y83-W191 HydrophobicContact CE2-CH2 4.01Å; Y83-W191 HydrophobicContact CE2-CZ2 4.48Å; Y83-W191 AromaticContact CE2-CZ3 3.99Å; Y83-W191 HydrophobicContact CE2-CZ3 3.99Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.26Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.21Å; Y83-Y195 PolarHBondContact OH-OH 3.4Å
84	W	98.6	Very high	97.8	Very high	39 Å²	39	67.9 Å²	67.9	15%	0.148	34%	0.338	C	S	.	.	H	α-helix	trans	-63.1	-39.4	-177.6	-65.3	113.3	0	0	0	113.3	V58 K69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.06Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å; K69-W84 HydrophobicContact CB-CE3 4.28Å; K69-W84 HydrophobicContact CG-CE3 4.36Å; K69-W84 HydrophobicContact CG-CZ3 4.16Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.96Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.39Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.02Å; I76-W84 HydrophobicContact CG2-CH2 4.03Å; I76-W84 HydrophobicContact CG2-CZ2 4.39Å; I76-W84 WeakPolarHBondContact O-CZ2 3.1Å; E79-W84 PolarHBondContact O-NE1 2.94Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 3.47Å; P81-W84 PolarHBondContact O-N 3.43Å; P81-W84 VanDerWaalsContact O-N 3.16Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 3.26Å; W84-T88 PolarHBondContact O-OG1 3.42Å
85	D	98.4	Very high	97.9	Very high	109 Å²	109	60.5 Å²	60.5	58%	0.583	30%	0.304	S	S	*	.	H	α-helix	trans	-66.5	-44.8	176.5	-75.1	-22	0	0	0	111	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.21Å; P81-D85 PolarHBondContact O-N 3.45Å; Y83-D85 PolarHBondContact O-N 2.9Å; D85-T88 PolarHBondContact O-N 2.93Å; D85-Q89 WeakPolarHBondContact O-CB 3.46Å; D85-Q89 PolarHBondContact O-N 3.39Å
86	R	98.2	Very high	98	Very high	114 Å²	114	63.7 Å²	63.7	43%	0.43	32%	0.32	S	S	.	.	H	α-helix	trans	-61.7	-50.6	176.5	-171.8	-174.9	72.7	-164.4	-0.3	111.7	E82 Y83 T88 Q89 I90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 2.59Å; Y83-R86 PolarHBondContact O-N 3.25Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 3.05Å; R86-Q89 PolarHBondContact O-N 2.97Å; R86-Q89 VanDerWaalsContact O-N 3.15Å; R86-I90 HydrophobicContact CG-CD1 4.03Å; R86-I90 WeakPolarHBondContact O-CG1 3.29Å; R86-I90 PolarHBondContact O-N 2.79Å
87	E	98.4	Very high	97.9	Very high	21 Å²	21	66.7 Å²	66.7	10%	0.098	34%	0.338	C	S	.	.	H	α-helix	trans	-66.2	-32.8	-178.8	-66.3	-46.7	127.4	0	0	112.4	K69 Y83 S91	K69-E87 HydrophobicContact CB-CB 3.98Å; K69-E87 HydrophobicContact CG-CB 3.92Å; Y83-E87 HydrophobicContact CD1-CG 4.29Å; Y83-E87 HydrophobicContact CD2-CG 4.02Å; Y83-E87 HydrophobicContact CE1-CG 3.96Å; Y83-E87 HydrophobicContact CE2-CG 3.65Å; Y83-E87 HydrophobicContact CG-CG 4.31Å; Y83-E87 WeakPolarHBondContact O-CB 3.5Å; Y83-E87 VanDerWaalsContact O-CG 3.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.33Å; Y83-E87 PolarHBondContact O-N 2.93Å; E87-S91 WeakPolarHBondContact O-CB 3.49Å; E87-S91 PolarHBondContact O-N 3.28Å; E87-S91 PolarHBondContact O-OG 3.44Å
88	T	98.6	Very high	98	Very high	10 Å²	10	61.3 Å²	61.3	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-64.9	-46.8	171.3	-67.5	0	0	0	0	110.8	R68 K69 W84 D85 R86 S91 K92	R68-T88 HydrophobicContact CB-CG2 4.32Å; R68-T88 HydrophobicContact CG-CG2 4.2Å; K69-T88 PolarHBondContact N-OG1 2.94Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 3.26Å; W84-T88 PolarHBondContact O-OG1 3.42Å; D85-T88 PolarHBondContact O-N 2.93Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 3.05Å; T88-S91 PolarHBondContact O-N 2.81Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.45Å; T88-K92 PolarHBondContact O-N 2.84Å
89	Q	98.5	Very high	98	Very high	114 Å²	114	57.8 Å²	57.8	53%	0.533	29%	0.294	S	S	.	.	H	α-helix	trans	-64.2	-42.6	179.9	-172.4	59.6	20.2	0	0	111.5	D85 R86 S91 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.46Å; D85-Q89 PolarHBondContact O-N 3.39Å; R86-Q89 PolarHBondContact O-N 2.97Å; R86-Q89 VanDerWaalsContact O-N 3.15Å; Q89-S91 VanDerWaalsContact C-N 3.31Å; Q89-S91 PolarHBondContact O-N 2.98Å; Q89-K92 PolarHBondContact O-N 3Å; Q89-T93 PolarHBondContact O-N 2.87Å; Q89-T93 PolarHBondContact O-OG1 3.38Å; Q89-T93 VanDerWaalsContact O-OG1 3.12Å
90	I	98.1	Very high	98	Very high	72 Å²	72	62.7 Å²	62.7	37%	0.369	32%	0.317	S	S	.	.	H	α-helix	trans	-57	-45.9	173.1	-69.4	166.6	0	0	0	110.5	R86 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.03Å; R86-I90 WeakPolarHBondContact O-CG1 3.29Å; R86-I90 PolarHBondContact O-N 2.79Å; I90-K92 VanDerWaalsContact C-N 3.35Å; I90-K92 PolarHBondContact O-N 2.03Å; I90-T93 PolarHBondContact O-N 2.8Å; I90-N94 WeakPolarHBondContact O-CB 3.3Å; I90-N94 PolarHBondContact O-N 2.92Å; I90-N94 PolarHBondContact O-ND2 2.91Å
91	S	98.5	Very high	98	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-36.7	180	-56.1	0	0	0	0	112.4	F60 K69 E87 T88 Q89 N94 T95	F60-S91 VanDerWaalsContact CD2-CB 3.45Å; K69-S91 WeakPolarHBondContact CE-OG 3.46Å; K69-S91 PolarHBondContact NZ-OG 2.85Å; E87-S91 WeakPolarHBondContact O-CB 3.49Å; E87-S91 PolarHBondContact O-N 3.28Å; E87-S91 PolarHBondContact O-OG 3.44Å; T88-S91 PolarHBondContact O-N 2.81Å; Q89-S91 VanDerWaalsContact C-N 3.31Å; Q89-S91 PolarHBondContact O-N 2.98Å; S91-N94 PolarHBondContact O-N 3.34Å; S91-T95 PolarHBondContact O-N 3.29Å; S91-T95 PolarHBondContact O-OG1 3.44Å
92	K	98.2	Very high	98.1	Very high	90 Å²	90	58 Å²	58	39%	0.391	28%	0.281	S	S	.	.	H	α-helix	trans	-68.1	-42.1	174.4	-73.8	178.4	177.6	179	0	112.5	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.19Å; F60-K92 HydrophobicContact CZ-CG 4.17Å; P67-K92 VanDerWaalsContact O-CE 3.29Å; P67-K92 WeakPolarHBondContact O-CE 3.27Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.45Å; T88-K92 PolarHBondContact O-N 2.84Å; Q89-K92 PolarHBondContact O-N 3Å; I90-K92 VanDerWaalsContact C-N 3.35Å; I90-K92 PolarHBondContact O-N 2.03Å; K92-T95 WeakPolarHBondContact O-CB 3.35Å; K92-T95 PolarHBondContact O-N 2.96Å; K92-Q96 PolarHBondContact O-N 3.28Å
93	T	98.3	Very high	98	Very high	72 Å²	72	56.2 Å²	56.2	44%	0.442	27%	0.267	S	S	.	.	H	α-helix	trans	-60.6	-48.4	173.1	-60.7	0	0	0	0	110.4	Q89 I90 T95 Q96 T97	Q89-T93 PolarHBondContact O-N 2.87Å; Q89-T93 PolarHBondContact O-OG1 3.38Å; Q89-T93 VanDerWaalsContact O-OG1 3.12Å; I90-T93 PolarHBondContact O-N 2.8Å; T93-T95 VanDerWaalsContact C-N 3.25Å; T93-T95 PolarHBondContact O-N 2.97Å; T93-Q96 PolarHBondContact O-N 3Å; T93-T97 PolarHBondContact O-N 2.77Å; T93-T97 PolarHBondContact O-OG1 3.48Å
94	N	98.1	Very high	97.9	Very high	28 Å²	28	59.7 Å²	59.7	15%	0.15	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-36	176.4	-75.5	-25.1	0	0	0	112.5	F46 I90 S91 Q96 T97 Y98	F46-N94 HydrophobicContact CE1-CB 4.02Å; F46-N94 HydrophobicContact CE2-CB 4.31Å; F46-N94 HydrophobicContact CZ-CB 3.67Å; I90-N94 WeakPolarHBondContact O-CB 3.3Å; I90-N94 PolarHBondContact O-N 2.92Å; I90-N94 PolarHBondContact O-ND2 2.91Å; S91-N94 PolarHBondContact O-N 3.34Å; N94-Q96 VanDerWaalsContact C-N 3.25Å; N94-Q96 PolarHBondContact O-N 2.96Å; N94-T97 PolarHBondContact O-N 2.95Å; N94-Y98 HydrophobicContact CB-CD2 4.35Å; N94-Y98 HydrophobicContact CB-CE2 4.44Å; N94-Y98 WeakPolarHBondContact O-CB 3.32Å; N94-Y98 WeakPolarHBondContact O-CD2 3.5Å; N94-Y98 PolarHBondContact O-N 3.4Å
95	T	98.1	Very high	97.8	Very high	13 Å²	13	58.1 Å²	58.1	8%	0.08	28%	0.28	C	S	.	.	H	α-helix	trans	-57	-40.2	174.8	-58	0	0	0	0	111.7	F46 S91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.96Å; F46-T95 VanDerWaalsContact CD1-OG1 3.26Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.38Å; S91-T95 PolarHBondContact O-N 3.29Å; S91-T95 PolarHBondContact O-OG1 3.44Å; K92-T95 WeakPolarHBondContact O-CB 3.35Å; K92-T95 PolarHBondContact O-N 2.96Å; T93-T95 VanDerWaalsContact C-N 3.25Å; T93-T95 PolarHBondContact O-N 2.97Å; T95-R99 PolarHBondContact O-N 3.41Å
96	Q	97.6	Very high	97.7	Very high	87 Å²	87	55.9 Å²	55.9	41%	0.407	26%	0.264	S	S	.	.	H	α-helix	trans	-73.6	-46.2	176.5	-55.2	-52.3	-49.9	0	0	111.6	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 3.28Å; T93-Q96 PolarHBondContact O-N 3Å; N94-Q96 VanDerWaalsContact C-N 3.25Å; N94-Q96 PolarHBondContact O-N 2.96Å; Q96-Y98 VanDerWaalsContact C-N 3.29Å; Q96-Y98 PolarHBondContact O-N 3.37Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; Q96-R99 PolarHBondContact O-N 2.88Å; Q96-R99 VanDerWaalsContact O-N 3.13Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.29Å; Q96-E100 PolarHBondContact O-N 2.94Å
97	T	97.6	Very high	97.7	Very high	62 Å²	62	52.5 Å²	52.5	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-57.5	-41.5	178.8	-54.3	0	0	0	0	112.2	T93 N94 E100 S101	T93-T97 PolarHBondContact O-N 2.77Å; T93-T97 PolarHBondContact O-OG1 3.48Å; N94-T97 PolarHBondContact O-N 2.95Å; T97-E100 PolarHBondContact O-N 2.96Å; T97-S101 WeakPolarHBondContact O-CB 3.44Å; T97-S101 PolarHBondContact O-N 2.94Å; T97-S101 PolarHBondContact O-OG 3.32Å
98	Y	97.8	Very high	97.6	Very high	8 Å²	8	54.2 Å²	54.2	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-72.5	-32.9	179.7	-84.3	-114.6	0	0	0	112.2	H33 A35 F46 N94 Q96 S101 L102 W119 R121	H33-Y98 HydrophobicContact CB-CE1 3.86Å; H33-Y98 WeakPolarHBondContact CB-OH 3.49Å; H33-Y98 AromaticContact ND1-CE2 3.88Å; H33-Y98 AromaticContact ND1-CZ 3.62Å; H33-Y98 PolarHBondContact ND1-OH 2.89Å; A35-Y98 HydrophobicContact CB-CD1 3.63Å; A35-Y98 HydrophobicContact CB-CG 4.1Å; F46-Y98 HydrophobicContact CD2-CD1 4.12Å; F46-Y98 HydrophobicContact CD2-CD2 4.37Å; F46-Y98 AromaticContact CD2-CG 3.92Å; F46-Y98 HydrophobicContact CD2-CG 3.92Å; F46-Y98 AromaticContact CE2-CD1 3.87Å; F46-Y98 HydrophobicContact CE2-CD1 3.87Å; F46-Y98 AromaticContact CE2-CD2 3.78Å; F46-Y98 HydrophobicContact CE2-CD2 3.78Å; F46-Y98 HydrophobicContact CE2-CE1 4.13Å; F46-Y98 HydrophobicContact CE2-CE2 4.01Å; F46-Y98 AromaticContact CE2-CG 3.71Å; F46-Y98 HydrophobicContact CE2-CG 3.71Å; N94-Y98 HydrophobicContact CB-CD2 4.35Å; N94-Y98 HydrophobicContact CB-CE2 4.44Å; N94-Y98 WeakPolarHBondContact O-CB 3.32Å; N94-Y98 WeakPolarHBondContact O-CD2 3.5Å; N94-Y98 PolarHBondContact O-N 3.4Å; Q96-Y98 VanDerWaalsContact C-N 3.29Å; Q96-Y98 PolarHBondContact O-N 3.37Å; Y98-S101 PolarHBondContact O-N 2.99Å; Y98-L102 WeakPolarHBondContact O-CG 3.5Å; Y98-L102 PolarHBondContact O-N 3.25Å; Y98-W119 AromaticContact CD1-CD1 3.25Å; Y98-W119 HydrophobicContact CD1-CG 4.18Å; Y98-W119 AromaticContact CD1-NE1 3.98Å; Y98-W119 AromaticContact CE1-CD1 3.46Å; Y98-W119 VanDerWaalsContact CE1-CD1 3.46Å; Y98-W119 HydrophobicContact CE1-CG 4.33Å; Y98-W119 AromaticContact CE1-NE1 3.83Å; Y98-R121 HydrophobicContact CE1-CB 4.5Å; Y98-R121 WeakPolarHBondContact OH-CB 3.3Å; Y98-R121 WeakPolarHBondContact OH-CD 3.46Å
99	R	97.3	Very high	97.6	Very high	49 Å²	49	56.9 Å²	56.9	19%	0.185	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-46.7	171.7	176.7	-169.1	-61.3	168	0.8	111.1	E43 P44 T95 Q96 L102 R103	E43-R99 WeakPolarHBondContact OE2-CD 3.26Å; E43-R99 IonicContact OE2-CZ 3.44Å; E43-R99 IonicContact OE2-NE 3.64Å; E43-R99 PolarHBondContact OE2-NE 2.85Å; E43-R99 IonicContact OE2-NH1 2.99Å; E43-R99 IonicContact OE2-NH2 3.86Å; P44-R99 HydrophobicContact CG-CB 4.43Å; P44-R99 HydrophobicContact CG-CG 4.15Å; T95-R99 PolarHBondContact O-N 3.41Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; Q96-R99 PolarHBondContact O-N 2.88Å; Q96-R99 VanDerWaalsContact O-N 3.13Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.29Å; R99-L102 PolarHBondContact O-N 3.13Å; R99-R103 PolarHBondContact O-N 3.35Å
100	E	97.3	Very high	97.5	Very high	115 Å²	115	58.8 Å²	58.8	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-41.6	176.1	-69	177.9	-176.7	0	0	111.7	Q96 T97 L102 R103 N104	Q96-E100 PolarHBondContact O-N 2.94Å; T97-E100 PolarHBondContact O-N 2.96Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.33Å; E100-R103 WeakPolarHBondContact O-CB 3.49Å; E100-R103 PolarHBondContact O-N 3.35Å; E100-R103 VanDerWaalsContact O-N 3.11Å; E100-N104 PolarHBondContact O-N 3.14Å
101	S	97.6	Very high	97.4	Very high	29 Å²	29	58.3 Å²	58.3	20%	0.203	29%	0.29	C	S	.	.	H	α-helix	trans	-57.6	-45.3	176.3	-59.6	0	0	0	0	111.7	T97 Y98 R103 N104 L105	T97-S101 WeakPolarHBondContact O-CB 3.44Å; T97-S101 PolarHBondContact O-N 2.94Å; T97-S101 PolarHBondContact O-OG 3.32Å; Y98-S101 PolarHBondContact O-N 2.99Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.47Å; S101-N104 PolarHBondContact O-N 3.48Å; S101-L105 WeakPolarHBondContact O-CB 3.5Å; S101-L105 WeakPolarHBondContact O-CD1 3.26Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.45Å; S101-L105 PolarHBondContact O-N 3.4Å
102	L	97.9	Very high	97.2	Very high	8 Å²	8	62 Å²	62	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-60	-38.4	176.1	-77.9	167	0	0	0	112.6	A35 P44 Y98 R99 E100 R106 H117 W119 Y142	A35-L102 HydrophobicContact CB-CD1 3.82Å; P44-L102 HydrophobicContact CB-CD1 3.67Å; P44-L102 HydrophobicContact CG-CD1 3.91Å; Y98-L102 WeakPolarHBondContact O-CG 3.5Å; Y98-L102 PolarHBondContact O-N 3.25Å; R99-L102 PolarHBondContact O-N 3.13Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.33Å; L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 PolarHBondContact O-N 2.86Å; L102-R106 VanDerWaalsContact O-N 3.15Å; L102-H117 HydrophobicContact CD2-CB 4.22Å; L102-W119 HydrophobicContact CD2-CB 3.66Å; L102-W119 HydrophobicContact CG-CB 4.06Å; L102-Y142 HydrophobicContact CD2-CE2 4.14Å
103	R	95.9	Very high	96.9	Very high	130 Å²	130	64.2 Å²	64.2	49%	0.491	33%	0.328	S	S	.	.	H	α-helix	trans	-66.9	-43.3	175.8	-67.6	176.6	-173.8	166	0.9	111.6	E43 R99 E100 S101 G107	E43-R103 IonicContact OE1-NH2 3.68Å; E43-R103 IonicContact OE2-NH2 3.72Å; R99-R103 PolarHBondContact O-N 3.35Å; E100-R103 WeakPolarHBondContact O-CB 3.49Å; E100-R103 PolarHBondContact O-N 3.35Å; E100-R103 VanDerWaalsContact O-N 3.11Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.47Å; R103-G107 PolarHBondContact O-N 2.94Å
104	N	96.7	Very high	96.5	Very high	84 Å²	84	64.9 Å²	64.9	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-65.2	-47.1	179	-69.7	-22.7	0	0	0	111.8	E100 S101 R106 G107 Y108	E100-N104 PolarHBondContact O-N 3.14Å; S101-N104 PolarHBondContact O-N 3.48Å; N104-R106 PolarHBondContact O-N 3.43Å; N104-G107 WeakPolarHBondContact O-CA 3.25Å; N104-G107 PolarHBondContact O-N 3.23Å; N104-G107 VanDerWaalsContact O-N 3.08Å; N104-Y108 WeakPolarHBondContact O-CD1 3.23Å; N104-Y108 PolarHBondContact O-N 3.46Å
105	L	97.7	Very high	96.3	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-60.2	-46.2	179.6	-71.8	164.1	0	0	0	111.3	S101 G107 Y108 Y109 W119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.5Å; S101-L105 WeakPolarHBondContact O-CD1 3.26Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.45Å; S101-L105 PolarHBondContact O-N 3.4Å; L105-G107 PolarHBondContact O-N 2.89Å; L105-Y108 PolarHBondContact O-N 3.49Å; L105-Y109 HydrophobicContact CD2-CE2 4.36Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.41Å; L105-Y109 PolarHBondContact O-N 2.92Å; L105-W119 HydrophobicContact CD1-CB 4.41Å; L105-W119 HydrophobicContact CD1-CD2 3.49Å; L105-W119 VanDerWaalsContact CD1-CD2 3.49Å; L105-W119 HydrophobicContact CD1-CE3 3.35Å; L105-W119 HydrophobicContact CD1-CG 3.98Å; L105-W119 HydrophobicContact CD1-CH2 4.09Å; L105-W119 HydrophobicContact CD1-CZ2 4.17Å; L105-W119 HydrophobicContact CD1-CZ3 3.71Å; L105-W119 HydrophobicContact CD2-CH2 4.43Å; L105-W119 HydrophobicContact CD2-CZ3 4.28Å; L105-Y142 HydrophobicContact CB-CD1 4.5Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 4.13Å; L105-Y142 HydrophobicContact CB-CE2 3.83Å; L105-Y142 HydrophobicContact CD1-CD2 3.68Å; L105-Y142 HydrophobicContact CD1-CE2 3.97Å; L105-Y142 HydrophobicContact CD1-CG 4.23Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.5Å; L105-Y147 HydrophobicContact CD2-CD2 4.04Å; L105-Y147 HydrophobicContact CD2-CE1 4.1Å; L105-Y147 HydrophobicContact CD2-CE2 3.37Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.43Å
106	R	96.4	Very high	96.2	Very high	62 Å²	62	67.9 Å²	67.9	23%	0.234	37%	0.368	C	S	.	.	H	α-helix	trans	-54.2	-40.9	174.1	-172.8	-175.8	65.1	175.6	9.5	111.9	L102 N104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 PolarHBondContact O-N 2.86Å; L102-R106 VanDerWaalsContact O-N 3.15Å; N104-R106 PolarHBondContact O-N 3.43Å; R106-N110 PolarHBondContact O-N 2.93Å; R106-N110 VanDerWaalsContact O-N 3.16Å; R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 WeakPolarHBondContact CG-O 3.38Å; R106-Q111 PolarHBondContact O-N 3.42Å; R106-E113 IonicContact CZ-OE1 2.78Å; R106-E113 IonicContact NH1-OE1 2.74Å; R106-E113 PolarHBondContact NH1-OE1 2.99Å; R106-E113 IonicContact NH2-OE1 3.61Å; R106-E113 PolarHBondContact NH2-OE1 3.06Å
107	G	96.3	Very high	96.2	Very high	43 Å²	43	64.6 Å²	64.6	44%	0.443	35%	0.352	S	S	.	.	H	α-helix	trans	-65.5	-45.9	174.8	0	0	0	0	0	113.1	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.94Å; N104-G107 WeakPolarHBondContact O-CA 3.25Å; N104-G107 PolarHBondContact O-N 3.23Å; N104-G107 VanDerWaalsContact O-N 3.08Å; L105-G107 PolarHBondContact O-N 2.89Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 2.96Å; G107-N110 PolarHBondContact O-N 2.74Å; G107-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-OD1 3.08Å
108	Y	97.6	Very high	96.3	Very high	58 Å²	58	63.4 Å²	63.4	23%	0.227	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-34.8	179	-63.8	-12.3	0	0	0	112.9	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.23Å; N104-Y108 PolarHBondContact O-N 3.46Å; L105-Y108 PolarHBondContact O-N 3.49Å; Y108-I166 HydrophobicContact CD1-CD1 4.26Å; Y108-I166 HydrophobicContact CE1-CG2 4.2Å; Y108-I166 HydrophobicContact CE2-CB 4.34Å; Y108-I166 HydrophobicContact CE2-CG2 4.16Å; Y108-I166 HydrophobicContact CG-CD1 4.25Å; Y108-K170 PolarHBondContact OH-NZ 2.97Å
109	Y	97.6	Very high	96.3	Very high	66 Å²	66	63.6 Å²	63.6	26%	0.259	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	4.8	178.1	-70	-73.3	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.36Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.41Å; L105-Y109 PolarHBondContact O-N 2.92Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 2.96Å; Y109-Q111 PolarHBondContact O-N 3.48Å; Y109-Y142 AromaticContact CD2-CD1 3.66Å; Y109-Y142 HydrophobicContact CD2-CD1 3.66Å; 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 3.82Å; Y109-Y142 HydrophobicContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CG 4.43Å; Y109-Y142 HydrophobicContact CG-CE1 4.34Å; Y109-Y147 HydrophobicContact CE2-CD2 4.2Å; Y109-Y147 AromaticContact CE2-CE2 3.87Å; Y109-Y147 HydrophobicContact CE2-CE2 3.87Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.23Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.23Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.19Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.24Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.5Å; Y109-D161 VanDerWaalsContact OH-CG 3.26Å; Y109-D161 PolarHBondContact OH-OD1 3.12Å; Y109-D161 PolarHBondContact OH-OD2 3.26Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å
110	N	96.4	Very high	96.4	Very high	154 Å²	154	64.7 Å²	64.7	82%	0.824	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	39.6	-177.9	-57.9	-56.2	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 2.93Å; R106-N110 VanDerWaalsContact O-N 3.16Å; G107-N110 PolarHBondContact O-N 2.74Å; G107-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-OD1 3.08Å
111	Q	96.7	Very high	96.4	Very high	61 Å²	61	61.5 Å²	61.5	29%	0.285	34%	0.336	S	S	.	.			trans	-90	151.3	-175.6	-71.6	166.6	-29.4	0	0	112.2	R106 Y109 H117 Y142	R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 WeakPolarHBondContact CG-O 3.38Å; R106-Q111 PolarHBondContact O-N 3.42Å; Y109-Q111 PolarHBondContact O-N 3.48Å; Q111-H117 PolarHBondContact NE2-CE1 2.96Å; Q111-H117 PolarHBondContact OE1-CE1 2.89Å; Q111-Y142 PolarHBondContact OE1-OH 3.27Å
112	S	94.3	Very high	96.5	Very high	78 Å²	78	61 Å²	61	55%	0.545	33%	0.33	S	S	.	.			trans	-70.8	155.5	-179.7	79.9	0	0	0	0	112.9	A114 G115	S112-A114 PolarHBondContact O-N 3.24Å; S112-G115 PolarHBondContact O-N 3.48Å
113	E	91	Very high	96.5	Very high	137 Å²	137	61.9 Å²	61.9	64%	0.64	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.1	176.9	-54	-151.6	124.4	0	0	114.5	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.3Å; P39-E113 VanDerWaalsContact CG-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.37Å; R106-E113 IonicContact CZ-OE1 2.78Å; R106-E113 IonicContact NH1-OE1 2.74Å; R106-E113 PolarHBondContact NH1-OE1 2.99Å; R106-E113 IonicContact NH2-OE1 3.61Å; R106-E113 PolarHBondContact NH2-OE1 3.06Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 3.28Å
114	A	91.6	Very high	96.6	Very high	86 Å²	86	55.7 Å²	55.7	71%	0.711	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-16	-180	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 3.24Å
115	G	92.4	Very high	96.7	Very high	22 Å²	22	51.7 Å²	51.7	23%	0.227	29%	0.289	C	S	.	.			trans	-73.9	132.8	-179.7	0	0	0	0	0	112.9	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.3Å; S112-G115 PolarHBondContact O-N 3.48Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 3.28Å; G115-H117 PolarHBondContact O-CD2 3.11Å
116	S	96.4	Very high	96.8	Very high	82 Å²	82	52.5 Å²	52.5	57%	0.573	29%	0.293	S	S	*	.			trans	-81.8	133.1	164.7	-174.6	0	0	0	0	108.9	S37	S37-S116 PolarHBondContact O-OG 3.49Å
117	H	98.1	Very high	96.8	Very high	17 Å²	17	49.7 Å²	49.7	8%	0.079	28%	0.282	C	S	.	.			trans	-134.1	152.6	-175.2	-63.9	-73.1	0	0	0	111	M36 S37 L102 Q111 G115 Y142 D143	M36-H117 WeakPolarHBondContact CA-O 3.4Å; S37-H117 PolarHBondContact N-O 2.8Å; S37-H117 PolarHBondContact OG-N 2.96Å; S37-H117 PolarHBondContact OG-O 3.21Å; L102-H117 HydrophobicContact CD2-CB 4.22Å; Q111-H117 PolarHBondContact NE2-CE1 2.96Å; Q111-H117 PolarHBondContact OE1-CE1 2.89Å; G115-H117 PolarHBondContact O-CD2 3.11Å; H117-Y142 HydrophobicContact CB-CE2 3.82Å; H117-Y142 WeakPolarHBondContact CB-OH 3.23Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.88Å; H117-Y142 PolarHBondContact ND1-OH 2.98Å; H117-D143 WeakPolarHBondContact CA-OD1 3.42Å; H117-D143 WeakPolarHBondContact CB-OD1 3.24Å; H117-D143 IonicContact CE1-OD2 3.64Å; H117-D143 IonicContact CG-OD1 3.97Å; H117-D143 IonicContact CG-OD2 2.92Å; H117-D143 IonicContact ND1-OD1 3.36Å; H117-D143 IonicContact ND1-OD2 3.01Å; H117-D143 PolarHBondContact ND1-OD2 2.87Å
118	T	98.5	Very high	96.7	Very high	37 Å²	37	48 Å²	48	23%	0.227	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.7	-174.9	-60.7	0	0	0	0	110.4	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.12Å; A35-T118 CarbonylContact O-C 3.51Å; A35-T118 WeakPolarHBondContact O-CA 3.33Å; M36-T118 HydrophobicContact CG-CG2 4.25Å; T118-Q120 HydrophobicContact CG2-CG 3.84Å; T118-Y142 WeakPolarHBondContact O-CA 3.4Å; T118-Y142 VanDerWaalsContact O-CD2 3.24Å; T118-Y142 WeakPolarHBondContact O-CD2 3.35Å; T118-D143 PolarHBondContact N-OD1 3.23Å; T118-D143 PolarHBondContact O-N 2.84Å
119	W	98.6	Very high	96.3	Very high	12 Å²	12	49.9 Å²	49.9	5%	0.045	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120	175.6	-178.6	-129.6	0	0	0	110	A35 Y98 L102 L105 L140 Y142 Y147	A35-W119 PolarHBondContact N-O 3.25Å; A35-W119 PolarHBondContact O-N 3.2Å; Y98-W119 AromaticContact CD1-CD1 3.25Å; Y98-W119 HydrophobicContact CD1-CG 4.18Å; Y98-W119 AromaticContact CD1-NE1 3.98Å; Y98-W119 AromaticContact CE1-CD1 3.46Å; Y98-W119 VanDerWaalsContact CE1-CD1 3.46Å; Y98-W119 HydrophobicContact CE1-CG 4.33Å; Y98-W119 AromaticContact CE1-NE1 3.83Å; L102-W119 HydrophobicContact CD2-CB 3.66Å; L102-W119 HydrophobicContact CG-CB 4.06Å; L105-W119 HydrophobicContact CD1-CB 4.41Å; L105-W119 HydrophobicContact CD1-CD2 3.49Å; L105-W119 VanDerWaalsContact CD1-CD2 3.49Å; L105-W119 HydrophobicContact CD1-CE3 3.35Å; L105-W119 HydrophobicContact CD1-CG 3.98Å; L105-W119 HydrophobicContact CD1-CH2 4.09Å; L105-W119 HydrophobicContact CD1-CZ2 4.17Å; L105-W119 HydrophobicContact CD1-CZ3 3.71Å; L105-W119 HydrophobicContact CD2-CH2 4.43Å; L105-W119 HydrophobicContact CD2-CZ3 4.28Å; W119-L140 HydrophobicContact CH2-CB 3.52Å; W119-L140 HydrophobicContact CH2-CD2 3.79Å; W119-L140 HydrophobicContact CH2-CG 4.29Å; W119-L140 HydrophobicContact CZ2-CB 3.82Å; W119-L140 HydrophobicContact CZ2-CD2 3.16Å; W119-L140 HydrophobicContact CZ2-CG 4.1Å; W119-L140 HydrophobicContact CZ3-CB 4.06Å; W119-Y142 HydrophobicContact CE3-CD2 4.04Å; W119-Y142 HydrophobicContact CE3-CG 4.36Å; W119-Y147 AromaticContact CH2-CD1 3.38Å; W119-Y147 HydrophobicContact CH2-CD1 3.38Å; W119-Y147 AromaticContact CH2-CE1 3.86Å; W119-Y147 HydrophobicContact CH2-CE1 3.86Å; W119-Y147 AromaticContact CH2-CG 3.81Å; W119-Y147 HydrophobicContact CH2-CG 3.81Å; W119-Y147 AromaticContact CZ3-CD1 3.81Å; W119-Y147 HydrophobicContact CZ3-CD1 3.81Å; W119-Y147 HydrophobicContact CZ3-CD2 4.33Å; W119-Y147 HydrophobicContact CZ3-CE1 4.46Å; W119-Y147 AromaticContact CZ3-CG 3.7Å; W119-Y147 HydrophobicContact CZ3-CG 3.7Å
120	Q	98.8	Very high	95.9	Very high	72 Å²	72	51.7 Å²	51.7	34%	0.336	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.2	-173.4	-70.2	169.1	-77.3	0	0	110.9	H33 T34 T118 L140 A141	H33-Q120 CarbonylContact O-C 3.48Å; H33-Q120 VanDerWaalsContact O-CA 3.27Å; H33-Q120 WeakPolarHBondContact O-CA 3.5Å; T34-Q120 HydrophobicContact CG2-CG 4.03Å; T118-Q120 HydrophobicContact CG2-CG 3.84Å; Q120-L140 CarbonylContact O-C 3.58Å; Q120-L140 WeakPolarHBondContact O-CA 3.36Å; Q120-A141 HydrophobicContact CB-CB 4.38Å; Q120-A141 PolarHBondContact N-O 3.29Å; Q120-A141 PolarHBondContact O-N 2.88Å
121	R	98.6	Very high	95.5	Very high	48 Å²	48	45.2 Å²	45.2	18%	0.181	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	136.1	172.2	179.5	-178.5	-176.9	-161.5	-2.1	109.7	F32 H33 Y98 Y123 N138 Q139 L140	F32-R121 WeakPolarHBondContact CA-O 3.44Å; H33-R121 HydrophobicContact CB-CB 4.22Å; H33-R121 PolarHBondContact N-O 3.1Å; H33-R121 PolarHBondContact O-N 2.94Å; Y98-R121 HydrophobicContact CE1-CB 4.5Å; Y98-R121 WeakPolarHBondContact OH-CB 3.3Å; Y98-R121 WeakPolarHBondContact OH-CD 3.46Å; R121-Y123 HydrophobicContact CG-CD1 4.13Å; R121-N138 PolarHBondContact NE-OD1 3.29Å; R121-N138 PolarHBondContact NH2-OD1 3.38Å; R121-Q139 CarbonylContact C-O 3.42Å; R121-Q139 VanDerWaalsContact CA-O 3.29Å; R121-Q139 WeakPolarHBondContact CA-O 3.5Å; R121-L140 HydrophobicContact CB-CD2 4.3Å; R121-L140 HydrophobicContact CB-CG 4.04Å; R121-L140 HydrophobicContact CG-CD1 4.41Å; R121-L140 HydrophobicContact CG-CD2 4.29Å; R121-L140 HydrophobicContact CG-CG 3.92Å
122	M	98.7	Very high	95.4	Very high	19 Å²	19	50.6 Å²	50.6	9%	0.094	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.4	162.8	-177	-78.3	-78.3	0	0	108.1	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.29Å; F32-M122 HydrophobicContact CD1-CB 3.92Å; F32-M122 HydrophobicContact CD1-CG 3.73Å; F32-M122 HydrophobicContact CE1-CB 3.98Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CZ-CG 3.91Å; M122-Y137 HydrophobicContact CE-CD1 4.16Å; M122-Y137 HydrophobicContact CE-CG 4.2Å; M122-Y137 HydrophobicContact SD-CG 4.5Å; M122-N138 WeakPolarHBondContact O-CA 2.96Å; M122-Q139 HydrophobicContact CB-CG 4.04Å; M122-Q139 VanDerWaalsContact CE-CD 3.42Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 PolarHBondContact N-O 2.95Å; M122-Q139 PolarHBondContact O-N 2.87Å
123	Y	98.7	Very high	95.5	Very high	27 Å²	27	49.3 Å²	49.3	11%	0.106	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158.2	171.3	70.9	-75.5	0	0	0	110.1	Y31 H33 R121 Y137 Y183	Y31-Y123 AromaticContact CD2-CE2 3.98Å; Y31-Y123 HydrophobicContact CD2-CE2 3.98Å; Y31-Y123 AromaticContact CD2-CZ 3.87Å; Y31-Y123 HydrophobicContact CG-CE1 4.26Å; Y31-Y123 HydrophobicContact CG-CE2 4.45Å; Y31-Y123 AromaticContact CG-CZ 3.88Å; Y31-Y123 PolarHBondContact N-O 3.27Å; Y31-Y123 PolarHBondContact O-N 2.59Å; Y31-Y123 VanDerWaalsContact O-N 3.15Å; H33-Y123 AromaticContact CE1-CE1 3.42Å; H33-Y123 VanDerWaalsContact CE1-CE1 3.42Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.39Å; H33-Y123 AromaticContact NE2-CE1 3.42Å; H33-Y123 WeakPolarHBondContact NE2-CE1 3.17Å; H33-Y123 AromaticContact NE2-CZ 3.96Å; R121-Y123 HydrophobicContact CG-CD1 4.13Å; Y123-Y137 WeakPolarHBondContact CA-O 3.42Å; Y123-Y137 VanDerWaalsContact CB-O 3.23Å; Y123-Y137 WeakPolarHBondContact CB-O 3.47Å; Y123-Y183 AromaticContact CD2-CE1 3.86Å; Y123-Y183 HydrophobicContact CD2-CE1 3.86Å; Y123-Y183 AromaticContact CE2-CE1 3.79Å; Y123-Y183 HydrophobicContact CE2-CE1 3.79Å; Y123-Y183 AromaticContact CE2-CZ 4Å
124	G	98.6	Very high	95.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.3	-175.9	-175.9	0	0	0	0	0	113.2	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.49Å; M29-G124 WeakPolarHBondContact O-CA 3.44Å; G124-Y137 PolarHBondContact N-O 3.05Å; G124-Y137 VanDerWaalsContact N-O 3.12Å; G124-Y137 PolarHBondContact O-N 3.35Å; G124-L184 WeakPolarHBondContact O-CD2 3.45Å
125	C	98.6	Very high	96	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.3	-176.9	52	0	0	0	0	110.8	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.28Å; M29-C125 PolarHBondContact N-O 3.49Å; M29-C125 PolarHBondContact O-N 3.29Å; C125-L133 HydrophobicContact CB-CD1 3.57Å; C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.38Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.29Å; C125-C188 PolarHBondContact N-SG 2.98Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 PolarHBondContact SG-O 3.23Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.47Å
126	D	98.2	Very high	96.3	Very high	21 Å²	21	48.3 Å²	48.3	11%	0.112	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.5	170.8	-60.6	-8.5	0	0	0	108.8	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.6Å; H27-D126 WeakPolarHBondContact O-CA 3.08Å; S28-D126 WeakPolarHBondContact CB-OD1 3.14Å; R30-D126 IonicContact CZ-OD1 3.9Å; R30-D126 IonicContact NE-OD1 3.64Å; R30-D126 PolarHBondContact NE-OD1 3.43Å; R30-D126 VanDerWaalsContact NE-OD1 3.15Å; R30-D126 VanDerWaalsContact NH2-CG 3.27Å; R30-D126 IonicContact NH2-OD1 3.91Å; R30-D126 PolarHBondContact NH2-OD1 3.01Å; R30-D126 IonicContact NH2-OD2 2.83Å; R30-D126 PolarHBondContact NH2-OD2 3.17Å; D126-L134 HydrophobicContact CB-CB 4.33Å; D126-L134 HydrophobicContact CB-CD2 4.43Å; D126-L134 WeakPolarHBondContact O-CB 3.49Å; D126-L134 PolarHBondContact O-N 3.44Å; D126-R135 PolarHBondContact N-O 2.6Å; D126-R135 PolarHBondContact O-N 2.87Å; D126-Y137 HydrophobicContact CB-CE2 4.43Å; D126-Y137 VanDerWaalsContact CG-CE2 3.46Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.41Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.24Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.26Å; D126-Y137 PolarHBondContact OD2-OH 3.34Å
127	L	97.1	Very high	96.4	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.7	174	-54.4	-177.2	0	0	0	110	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.47Å; S26-L127 WeakPolarHBondContact CB-O 3.39Å; H27-L127 PolarHBondContact N-O 2.94Å; H27-L127 PolarHBondContact O-N 3.02Å; L127-R132 CarbonylContact C-O 3.49Å; L127-R132 WeakPolarHBondContact CA-O 3.46Å; L127-V189 HydrophobicContact CD1-CG1 4.4Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.76Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L127-L192 HydrophobicContact CD1-CB 4.21Å; L127-L192 HydrophobicContact CD1-CD2 3.65Å; L127-L192 HydrophobicContact CD1-CG 3.72Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.23Å; L127-R193 HydrophobicContact CD1-CG 3.95Å
128	G	93.8	Very high	96.4	Very high	7 Å²	7	45.5 Å²	45.5	7%	0.072	22%	0.224	C	C	.	.			trans	-73.3	175.8	166.4	0	0	0	0	0	112.2	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.95Å; G128-D130 VanDerWaalsContact O-N 3.16Å; G128-G131 WeakPolarHBondContact O-CA 3.24Å; G128-G131 PolarHBondContact O-N 3.45Å; G128-R132 PolarHBondContact N-O 3.4Å
129	P	89.6	Confident	96.4	Very high	99 Å²	99	47.6 Å²	47.6	64%	0.643	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.9	177.5	-24.9	34.8	0	0	0	114.9	G25 G131	G25-P129 VanDerWaalsContact O-CA 3.28Å; G25-P129 WeakPolarHBondContact O-CA 3.46Å; P129-G131 PolarHBondContact O-N 2.82Å
130	D	89.1	Confident	96.4	Very high	104 Å²	104	47.5 Å²	47.5	56%	0.556	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	2.6	173.7	70.1	-13.4	0	0	0	113.2	G128 R132	G128-D130 PolarHBondContact O-N 2.95Å; G128-D130 VanDerWaalsContact O-N 3.16Å; D130-R132 PolarHBondContact O-N 2.76Å; D130-R132 WeakPolarHBondContact OD1-CB 3.3Å; D130-R132 PolarHBondContact OD1-N 2.68Å; D130-R132 WeakPolarHBondContact OD2-CD 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.36Å; D130-R132 IonicContact OD2-NE 3.68Å; D130-R132 IonicContact OD2-NH1 2.68Å
131	G	88.9	Confident	96.4	Very high	18 Å²	18	44.9 Å²	44.9	19%	0.186	22%	0.222	C	C	.	.	S	Bend	trans	72.7	8.9	-178.5	0	0	0	0	0	114.1	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.24Å; G128-G131 PolarHBondContact O-N 3.45Å; P129-G131 PolarHBondContact O-N 2.82Å; G131-R193 VanDerWaalsContact O-CZ 3.25Å; G131-R193 PolarHBondContact O-NE 2.81Å; G131-R193 PolarHBondContact O-NH2 3.4Å
132	R	93.8	Very high	96.4	Very high	173 Å²	173	43.1 Å²	43.1	65%	0.653	22%	0.216	S	C	*	.	S	Bend	trans	-87.5	154.5	178.3	-62.9	-173.6	-178.1	161.2	-3.5	111.5	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.49Å; L127-R132 WeakPolarHBondContact CA-O 3.46Å; G128-R132 PolarHBondContact N-O 3.4Å; D130-R132 PolarHBondContact O-N 2.76Å; D130-R132 WeakPolarHBondContact OD1-CB 3.3Å; D130-R132 PolarHBondContact OD1-N 2.68Å; D130-R132 WeakPolarHBondContact OD2-CD 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.36Å; D130-R132 IonicContact OD2-NE 3.68Å; D130-R132 IonicContact OD2-NH1 2.68Å; R132-L134 PolarHBondContact O-N 2.64Å; R132-L134 VanDerWaalsContact O-N 3.13Å
133	L	96.9	Very high	96.4	Very high	51 Å²	51	45.2 Å²	45.2	27%	0.267	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	118.2	175.3	-176.6	72.3	0	0	0	109.8	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.57Å; L133-R135 WeakPolarHBondContact CD1-O 3.4Å; L133-L154 HydrophobicContact CD2-CD1 4.19Å; L133-E185 HydrophobicContact CD2-CB 4.36Å; L133-E185 HydrophobicContact CD2-CG 3.63Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.09Å
134	L	96.6	Very high	96.3	Very high	127 Å²	127	46.8 Å²	46.8	67%	0.665	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	-47.4	170.2	-172.1	89.2	0	0	0	109.9	D126 R132	D126-L134 HydrophobicContact CB-CB 4.33Å; D126-L134 HydrophobicContact CB-CD2 4.43Å; D126-L134 WeakPolarHBondContact O-CB 3.49Å; D126-L134 PolarHBondContact O-N 3.44Å; R132-L134 PolarHBondContact O-N 2.64Å; R132-L134 VanDerWaalsContact O-N 3.13Å
135	R	96.9	Very high	96.3	Very high	93 Å²	93	54.5 Å²	54.5	35%	0.351	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	140.5	-174.7	-174.2	163.1	169.7	150.3	10.8	111.9	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.38Å; D126-R135 PolarHBondContact N-O 2.6Å; D126-R135 PolarHBondContact O-N 2.87Å; L133-R135 WeakPolarHBondContact CD1-O 3.4Å; R135-Y137 HydrophobicContact CB-CE2 3.99Å; R135-Y137 VanDerWaalsContact CD-CZ 3.42Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.41Å; R135-Y137 HydrophobicContact CG-CD2 4.36Å; R135-Y137 HydrophobicContact CG-CE1 4.02Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-E152 VanDerWaalsContact CZ-CD 3.47Å; R135-E152 IonicContact CZ-OE1 3.73Å; R135-E152 VanDerWaalsContact NH1-CD 3.31Å; R135-E152 IonicContact NH1-OE1 3.92Å; R135-E152 PolarHBondContact NH1-OE1 3.11Å; R135-E152 IonicContact NH1-OE2 3.42Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 3.06Å; R135-E152 PolarHBondContact NH2-OE1 3.16Å
136	G	98	Very high	96.3	Very high	4 Å²	4	60.7 Å²	60.7	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	150.9	169.2	0	0	0	0	0	111.4
137	Y	98.2	Very high	96.4	Very high	37 Å²	37	59.7 Å²	59.7	15%	0.145	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.2	-179.1	-55.9	-97.1	0	0	0	110.7	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.28Å; R30-Y137 PolarHBondContact NH2-OH 3.04Å; M122-Y137 HydrophobicContact CE-CD1 4.16Å; M122-Y137 HydrophobicContact CE-CG 4.2Å; M122-Y137 HydrophobicContact SD-CG 4.5Å; Y123-Y137 WeakPolarHBondContact CA-O 3.42Å; Y123-Y137 VanDerWaalsContact CB-O 3.23Å; Y123-Y137 WeakPolarHBondContact CB-O 3.47Å; G124-Y137 PolarHBondContact N-O 3.05Å; G124-Y137 VanDerWaalsContact N-O 3.12Å; G124-Y137 PolarHBondContact O-N 3.35Å; D126-Y137 HydrophobicContact CB-CE2 4.43Å; D126-Y137 VanDerWaalsContact CG-CE2 3.46Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.41Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.24Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.26Å; D126-Y137 PolarHBondContact OD2-OH 3.34Å; R135-Y137 HydrophobicContact CB-CE2 3.99Å; R135-Y137 VanDerWaalsContact CD-CZ 3.42Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.41Å; R135-Y137 HydrophobicContact CG-CD2 4.36Å; R135-Y137 HydrophobicContact CG-CE1 4.02Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å
138	N	98.6	Very high	96.4	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.016	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	99.9	163.5	178.9	63.9	0	0	0	109.3	R121 M122 L150 W157 L180	R121-N138 PolarHBondContact NE-OD1 3.29Å; R121-N138 PolarHBondContact NH2-OD1 3.38Å; M122-N138 WeakPolarHBondContact O-CA 2.96Å; N138-L150 HydrophobicContact CB-CB 3.89Å; N138-L150 HydrophobicContact CB-CD2 4.16Å; N138-L150 PolarHBondContact O-N 2.87Å; N138-W157 WeakPolarHBondContact ND2-CZ3 3.39Å; N138-L180 HydrophobicContact CB-CD1 4.37Å; N138-L180 WeakPolarHBondContact ND2-CD1 3.38Å
139	Q	98.5	Very high	96.7	Very high	82 Å²	82	61 Å²	61	38%	0.383	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.2	-176.7	63.8	-167.2	52.4	0	0	111	R121 M122 A149	R121-Q139 CarbonylContact C-O 3.42Å; R121-Q139 VanDerWaalsContact CA-O 3.29Å; R121-Q139 WeakPolarHBondContact CA-O 3.5Å; M122-Q139 HydrophobicContact CB-CG 4.04Å; M122-Q139 VanDerWaalsContact CE-CD 3.42Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 PolarHBondContact N-O 2.95Å; M122-Q139 PolarHBondContact O-N 2.87Å; Q139-A149 HydrophobicContact CB-CB 4.05Å
140	L	98.7	Very high	97.1	Very high	10 Å²	10	57 Å²	57	5%	0.052	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.4	-176.2	-59.8	88.2	0	0	0	110.3	W119 Q120 R121 Y147 I148 W171	W119-L140 HydrophobicContact CH2-CB 3.52Å; W119-L140 HydrophobicContact CH2-CD2 3.79Å; W119-L140 HydrophobicContact CH2-CG 4.29Å; W119-L140 HydrophobicContact CZ2-CB 3.82Å; W119-L140 HydrophobicContact CZ2-CD2 3.16Å; W119-L140 HydrophobicContact CZ2-CG 4.1Å; W119-L140 HydrophobicContact CZ3-CB 4.06Å; Q120-L140 CarbonylContact O-C 3.58Å; Q120-L140 WeakPolarHBondContact O-CA 3.36Å; R121-L140 HydrophobicContact CB-CD2 4.3Å; R121-L140 HydrophobicContact CB-CG 4.04Å; R121-L140 HydrophobicContact CG-CD1 4.41Å; R121-L140 HydrophobicContact CG-CD2 4.29Å; R121-L140 HydrophobicContact CG-CG 3.92Å; L140-Y147 WeakPolarHBondContact O-CB 3.23Å; L140-Y147 PolarHBondContact O-N 2.92Å; L140-I148 HydrophobicContact CB-CG2 4.26Å; L140-I148 HydrophobicContact CD1-CG2 3.92Å; L140-I148 PolarHBondContact N-O 3.2Å; L140-I148 PolarHBondContact O-N 3.14Å; L140-W171 HydrophobicContact CD1-CH2 3.79Å; L140-W171 HydrophobicContact CD1-CZ3 4.08Å; L140-W171 HydrophobicContact CD2-CH2 3.97Å
141	A	98.8	Very high	97.6	Very high	16 Å²	16	54.1 Å²	54.1	13%	0.132	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.6	-178.9	0	0	0	0	0	110.8	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.38Å; Q120-A141 PolarHBondContact N-O 3.29Å; Q120-A141 PolarHBondContact O-N 2.88Å; A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.11Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.41Å
142	Y	98.7	Very high	98	Very high	11 Å²	11	59.5 Å²	59.5	4%	0.043	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.9	176.6	-171.9	-125.3	0	0	0	110.1	L102 L105 Y109 Q111 H117 T118 W119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.14Å; L105-Y142 HydrophobicContact CB-CD1 4.5Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 4.13Å; L105-Y142 HydrophobicContact CB-CE2 3.83Å; L105-Y142 HydrophobicContact CD1-CD2 3.68Å; L105-Y142 HydrophobicContact CD1-CE2 3.97Å; L105-Y142 HydrophobicContact CD1-CG 4.23Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.5Å; Y109-Y142 AromaticContact CD2-CD1 3.66Å; Y109-Y142 HydrophobicContact CD2-CD1 3.66Å; 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 3.82Å; Y109-Y142 HydrophobicContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CG 4.43Å; Y109-Y142 HydrophobicContact CG-CE1 4.34Å; Q111-Y142 PolarHBondContact OE1-OH 3.27Å; H117-Y142 HydrophobicContact CB-CE2 3.82Å; H117-Y142 WeakPolarHBondContact CB-OH 3.23Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.88Å; H117-Y142 PolarHBondContact ND1-OH 2.98Å; T118-Y142 WeakPolarHBondContact O-CA 3.4Å; T118-Y142 VanDerWaalsContact O-CD2 3.24Å; T118-Y142 WeakPolarHBondContact O-CD2 3.35Å; W119-Y142 HydrophobicContact CE3-CD2 4.04Å; W119-Y142 HydrophobicContact CE3-CG 4.36Å; Y142-G144 PolarHBondContact O-N 3.19Å; Y142-G144 VanDerWaalsContact O-N 3.17Å; Y142-K145 PolarHBondContact N-O 2.84Å; Y142-K145 PolarHBondContact O-N 3.44Å
143	D	98.1	Very high	98.2	Very high	64 Å²	64	55.2 Å²	55.2	34%	0.342	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	39.2	-176.4	-65.8	-20.5	0	0	0	113.4	H117 T118 K145	H117-D143 WeakPolarHBondContact CA-OD1 3.42Å; H117-D143 WeakPolarHBondContact CB-OD1 3.24Å; H117-D143 IonicContact CE1-OD2 3.64Å; H117-D143 IonicContact CG-OD1 3.97Å; H117-D143 IonicContact CG-OD2 2.92Å; H117-D143 IonicContact ND1-OD1 3.36Å; H117-D143 IonicContact ND1-OD2 3.01Å; H117-D143 PolarHBondContact ND1-OD2 2.87Å; T118-D143 PolarHBondContact N-OD1 3.23Å; T118-D143 PolarHBondContact O-N 2.84Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 2.88Å
144	G	97.3	Very high	98.2	Very high	60 Å²	60	53.2 Å²	53.2	62%	0.619	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	7	178.5	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 3.19Å; Y142-G144 VanDerWaalsContact O-N 3.17Å
145	K	98.4	Very high	98.3	Very high	162 Å²	162	50.5 Å²	50.5	70%	0.704	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.6	176	-63	179.9	-178.8	178.7	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.11Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.41Å; Y142-K145 PolarHBondContact N-O 2.84Å; Y142-K145 PolarHBondContact O-N 3.44Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 2.88Å; K145-Y147 PolarHBondContact O-N 2.8Å
146	D	98.7	Very high	98.3	Very high	129 Å²	129	47.9 Å²	47.9	69%	0.69	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.2	137.3	174.2	-68.6	-22.6	0	0	0	110.8	A160	D146-A160 HydrophobicContact CB-CB 4.4Å; D146-A160 WeakPolarHBondContact O-CB 3.37Å
147	Y	98.8	Very high	98.4	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-62.3	179	-178.8	-93.9	0	0	0	110.6	L105 Y109 W119 L140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.04Å; L105-Y147 HydrophobicContact CD2-CE1 4.1Å; L105-Y147 HydrophobicContact CD2-CE2 3.37Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.43Å; Y109-Y147 HydrophobicContact CE2-CD2 4.2Å; Y109-Y147 AromaticContact CE2-CE2 3.87Å; Y109-Y147 HydrophobicContact CE2-CE2 3.87Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.23Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.23Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.19Å; W119-Y147 AromaticContact CH2-CD1 3.38Å; W119-Y147 HydrophobicContact CH2-CD1 3.38Å; W119-Y147 AromaticContact CH2-CE1 3.86Å; W119-Y147 HydrophobicContact CH2-CE1 3.86Å; W119-Y147 AromaticContact CH2-CG 3.81Å; W119-Y147 HydrophobicContact CH2-CG 3.81Å; W119-Y147 AromaticContact CZ3-CD1 3.81Å; W119-Y147 HydrophobicContact CZ3-CD1 3.81Å; W119-Y147 HydrophobicContact CZ3-CD2 4.33Å; W119-Y147 HydrophobicContact CZ3-CE1 4.46Å; W119-Y147 AromaticContact CZ3-CG 3.7Å; W119-Y147 HydrophobicContact CZ3-CG 3.7Å; L140-Y147 WeakPolarHBondContact O-CB 3.23Å; L140-Y147 PolarHBondContact O-N 2.92Å; K145-Y147 PolarHBondContact O-N 2.8Å; Y147-A160 WeakPolarHBondContact O-CB 3.46Å; Y147-A160 PolarHBondContact O-N 3.19Å; Y147-A163 HydrophobicContact CE2-CB 4.38Å; Y147-A163 PolarHBondContact OH-O 3.48Å; Y147-A164 HydrophobicContact CD1-CB 4.05Å; Y147-A164 HydrophobicContact CD2-CB 3.98Å; Y147-A164 HydrophobicContact CE1-CB 4Å; Y147-A164 HydrophobicContact CE2-CB 3.89Å; Y147-A164 HydrophobicContact CG-CB 4.08Å; Y147-A164 VanDerWaalsContact CZ-CA 3.44Å; Y147-A164 WeakPolarHBondContact O-CB 3.24Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact CE1-OG1 3.32Å; Y147-T167 PolarHBondContact OH-OG1 2.78Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	141.1	178.5	-160.3	173.8	0	0	0	110.7	L140 W157 T158 T167 Q168 W171	L140-I148 HydrophobicContact CB-CG2 4.26Å; L140-I148 HydrophobicContact CD1-CG2 3.92Å; L140-I148 PolarHBondContact N-O 3.2Å; L140-I148 PolarHBondContact O-N 3.14Å; I148-W157 HydrophobicContact CD1-CB 4.28Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.15Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.4Å; I148-W157 HydrophobicContact CG1-CE3 4.08Å; I148-T158 WeakPolarHBondContact CA-O 3.17Å; I148-T158 WeakPolarHBondContact CG1-O 3.45Å; I148-T167 HydrophobicContact CD1-CG2 4.23Å; I148-Q168 HydrophobicContact CD1-CB 3.87Å; I148-W171 HydrophobicContact CD1-CE3 4.07Å; I148-W171 HydrophobicContact CD1-CZ3 4.32Å; I148-W171 HydrophobicContact CG2-CE3 4.43Å; I148-W171 HydrophobicContact CG2-CH2 4.08Å; I148-W171 HydrophobicContact CG2-CZ3 3.66Å
149	A	98.8	Very high	98.4	Very high	32 Å²	32	51.2 Å²	51.2	26%	0.264	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.9	177.7	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 4.05Å; A149-W157 WeakPolarHBondContact O-CA 3.26Å; A149-T158 PolarHBondContact N-O 2.8Å; A149-T158 PolarHBondContact O-N 2.81Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	50.3 Å²	50.3	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.5	167.3	-175.5	68.7	0	0	0	108.4	N138 L154 W157 A177 L180 L184	N138-L150 HydrophobicContact CB-CB 3.89Å; N138-L150 HydrophobicContact CB-CD2 4.16Å; N138-L150 PolarHBondContact O-N 2.87Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; L150-W157 HydrophobicContact CB-CE3 4.08Å; L150-W157 HydrophobicContact CB-CH2 4.26Å; L150-W157 HydrophobicContact CB-CZ3 3.75Å; L150-W157 HydrophobicContact CD1-CD2 4.21Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.09Å; L150-W157 HydrophobicContact CD1-CZ2 4Å; L150-W157 HydrophobicContact CD1-CZ3 4.19Å; L150-A177 HydrophobicContact CD1-CB 4Å; L150-L180 HydrophobicContact CD2-CB 4.2Å; L150-L180 HydrophobicContact CD2-CD1 4.45Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	52.4 Å²	52.4	24%	0.235	31%	0.31	C	S	.	.			trans	-72.8	164.2	180	-68.6	-27.4	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.26Å; N151-D153 VanDerWaalsContact O-N 3.11Å; N151-L154 PolarHBondContact O-N 3.32Å; N151-S156 WeakPolarHBondContact CB-O 3.24Å; N151-S156 WeakPolarHBondContact CB-OG 3.42Å; N151-S156 PolarHBondContact N-O 2.92Å; N151-S156 PolarHBondContact ND2-OG 3.04Å; N151-T158 PolarHBondContact ND2-OG1 3.48Å; N151-T158 WeakPolarHBondContact OD1-CB 3.48Å; N151-T158 PolarHBondContact OD1-OG1 3.29Å
152	E	97.6	Very high	98.3	Very high	132 Å²	132	56.8 Å²	56.8	62%	0.617	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.1	-178.3	-66.6	-179.3	-167.7	0	0	113.4	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.47Å; R135-E152 IonicContact CZ-OE1 3.73Å; R135-E152 VanDerWaalsContact NH1-CD 3.31Å; R135-E152 IonicContact NH1-OE1 3.92Å; R135-E152 PolarHBondContact NH1-OE1 3.11Å; R135-E152 IonicContact NH1-OE2 3.42Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 3.06Å; R135-E152 PolarHBondContact NH2-OE1 3.16Å; E152-L154 PolarHBondContact O-N 3.01Å
153	D	97.6	Very high	98.3	Very high	82 Å²	82	56.5 Å²	56.5	44%	0.439	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-6.8	174.3	67.5	22.7	0	0	0	114	N151 S155 S156	N151-D153 PolarHBondContact O-N 3.26Å; N151-D153 VanDerWaalsContact O-N 3.11Å; D153-S155 PolarHBondContact O-N 3.22Å; D153-S155 VanDerWaalsContact O-N 3.13Å; D153-S155 WeakPolarHBondContact OD1-CA 3.49Å; D153-S155 PolarHBondContact OD1-N 3.05Å; D153-S155 PolarHBondContact OD1-OG 2.86Å; D153-S155 PolarHBondContact OD2-OG 2.85Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 2.82Å; D153-S156 PolarHBondContact OD1-OG 2.82Å; D153-S156 WeakPolarHBondContact OD2-CB 3.36Å; D153-S156 PolarHBondContact OD2-OG 3.18Å
154	L	98	Very high	98.3	Very high	9 Å²	9	53.5 Å²	53.5	5%	0.047	32%	0.32	C	S	.	.	S	Bend	trans	53.5	27.5	-177	-52.8	-177.8	0	0	0	114.1	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.19Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; N151-L154 PolarHBondContact O-N 3.32Å; E152-L154 PolarHBondContact O-N 3.01Å; L154-R181 HydrophobicContact CB-CB 4.12Å; L154-R181 HydrophobicContact CB-CG 3.97Å; L154-R181 HydrophobicContact CD1-CG 4.32Å; L154-L184 HydrophobicContact CD2-CD1 3.98Å; L154-E185 HydrophobicContact CD1-CG 4.2Å
155	S	97.8	Very high	98.4	Very high	71 Å²	71	54.2 Å²	54.2	50%	0.497	31%	0.307	S	S	.	.	S	Bend	trans	-138.2	-26	-174.8	69.7	0	0	0	0	113.5	D153 A177	D153-S155 PolarHBondContact O-N 3.22Å; D153-S155 VanDerWaalsContact O-N 3.13Å; D153-S155 WeakPolarHBondContact OD1-CA 3.49Å; D153-S155 PolarHBondContact OD1-N 3.05Å; D153-S155 PolarHBondContact OD1-OG 2.86Å; D153-S155 PolarHBondContact OD2-OG 2.85Å; S155-A177 WeakPolarHBondContact O-CB 3.4Å
156	S	98.1	Very high	98.4	Very high	38 Å²	38	49.4 Å²	49.4	27%	0.266	29%	0.288	S	S	.	.			trans	-118.9	164.6	-178.2	70.8	0	0	0	0	112.2	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.24Å; N151-S156 WeakPolarHBondContact CB-OG 3.42Å; N151-S156 PolarHBondContact N-O 2.92Å; N151-S156 PolarHBondContact ND2-OG 3.04Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 2.82Å; D153-S156 PolarHBondContact OD1-OG 2.82Å; D153-S156 WeakPolarHBondContact OD2-CB 3.36Å; D153-S156 PolarHBondContact OD2-OG 3.18Å
157	W	98.7	Very high	98.3	Very high	12 Å²	12	44.1 Å²	44.1	5%	0.045	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145	-174.9	-60.8	95	0	0	0	111.5	N138 I148 A149 L150 Q168 W171 E176 A177 L180	N138-W157 WeakPolarHBondContact ND2-CZ3 3.39Å; I148-W157 HydrophobicContact CD1-CB 4.28Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.15Å; I148-W157 HydrophobicContact CD1-CG 4.48Å; I148-W157 HydrophobicContact CG1-CB 4.4Å; I148-W157 HydrophobicContact CG1-CE3 4.08Å; A149-W157 WeakPolarHBondContact O-CA 3.26Å; L150-W157 HydrophobicContact CB-CE3 4.08Å; L150-W157 HydrophobicContact CB-CH2 4.26Å; L150-W157 HydrophobicContact CB-CZ3 3.75Å; L150-W157 HydrophobicContact CD1-CD2 4.21Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.09Å; L150-W157 HydrophobicContact CD1-CZ2 4Å; L150-W157 HydrophobicContact CD1-CZ3 4.19Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 3.49Å; W157-W171 HydrophobicContact CD2-CE3 4.08Å; W157-W171 AromaticContact CE2-CE3 3.92Å; W157-W171 AromaticContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CE3 3.87Å; W157-W171 AromaticContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CH2-CD2 4.35Å; W157-W171 AromaticContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CH2 4.49Å; W157-W171 AromaticContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CZ2-CB 4.46Å; W157-W171 HydrophobicContact CZ2-CD2 4.35Å; W157-W171 AromaticContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CZ3 4.12Å; W157-W171 AromaticContact CZ3-CE3 3.48Å; W157-W171 HydrophobicContact CZ3-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.48Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; W157-E176 HydrophobicContact CZ2-CB 4.18Å; W157-A177 HydrophobicContact CZ2-CB 4.23Å; W157-L180 HydrophobicContact CH2-CD1 3.35Å; W157-L180 HydrophobicContact CZ2-CD1 3.85Å; W157-L180 HydrophobicContact CZ3-CD1 4.43Å
158	T	98.7	Very high	98.3	Very high	79 Å²	79	45.9 Å²	45.9	49%	0.485	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.9	166.5	-65.4	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.17Å; I148-T158 WeakPolarHBondContact CG1-O 3.45Å; A149-T158 PolarHBondContact N-O 2.8Å; A149-T158 PolarHBondContact O-N 2.81Å; N151-T158 PolarHBondContact ND2-OG1 3.48Å; N151-T158 WeakPolarHBondContact OD1-CB 3.48Å; N151-T158 PolarHBondContact OD1-OG1 3.29Å
159	A	98.6	Very high	98.3	Very high	23 Å²	23	53.2 Å²	53.2	19%	0.19	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.3	175.1	0	0	0	0	0	110.7	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.77Å; A159-Q165 HydrophobicContact CB-CG 3.97Å; A159-Q168 HydrophobicContact CB-CB 4.46Å
160	A	98.5	Very high	98.3	Very high	62 Å²	62	57.2 Å²	57.2	51%	0.512	31%	0.308	S	S	.	.	S	Bend	trans	-76.8	-29.9	-176.5	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.4Å; D146-A160 WeakPolarHBondContact O-CB 3.37Å; Y147-A160 WeakPolarHBondContact O-CB 3.46Å; Y147-A160 PolarHBondContact O-N 3.19Å
161	D	98.3	Very high	98.3	Very high	54 Å²	54	59.4 Å²	59.4	29%	0.289	32%	0.315	S	S	.	.	S	Bend	trans	-151.4	-176.8	-178.8	67.4	29.6	0	0	0	113.1	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.24Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.5Å; Y109-D161 VanDerWaalsContact OH-CG 3.26Å; Y109-D161 PolarHBondContact OH-OD1 3.12Å; Y109-D161 PolarHBondContact OH-OD2 3.26Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 2.85Å; D161-A163 WeakPolarHBondContact OD1-CA 3.44Å; D161-A163 WeakPolarHBondContact OD1-CB 3.18Å; D161-A163 PolarHBondContact OD1-N 3.4Å; D161-A164 PolarHBondContact O-N 2.61Å; D161-A164 PolarHBondContact OD1-N 3.33Å; D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 2.82Å
162	T	98.2	Very high	98.3	Very high	109 Å²	109	61.8 Å²	61.8	67%	0.669	33%	0.325	S	S	*	.	H	α-helix	trans	-65.5	-28	-179.4	51.3	0	0	0	0	114
163	A	98.1	Very high	98.3	Very high	5 Å²	5	59.7 Å²	59.7	4%	0.041	33%	0.33	C	S	.	.	H	α-helix	trans	-72.7	-43.2	175.3	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å; Y147-A163 HydrophobicContact CE2-CB 4.38Å; Y147-A163 PolarHBondContact OH-O 3.48Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 2.85Å; D161-A163 WeakPolarHBondContact OD1-CA 3.44Å; D161-A163 WeakPolarHBondContact OD1-CB 3.18Å; D161-A163 PolarHBondContact OD1-N 3.4Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.88Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.47Å; A163-I166 PolarHBondContact O-N 2.86Å
164	A	98.4	Very high	98.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61	-33.6	173.7	0	0	0	0	0	113.4	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD1-CB 4.05Å; Y147-A164 HydrophobicContact CD2-CB 3.98Å; Y147-A164 HydrophobicContact CE1-CB 4Å; Y147-A164 HydrophobicContact CE2-CB 3.89Å; Y147-A164 HydrophobicContact CG-CB 4.08Å; Y147-A164 VanDerWaalsContact CZ-CA 3.44Å; Y147-A164 WeakPolarHBondContact O-CB 3.24Å; A159-A164 HydrophobicContact CB-CB 3.77Å; D161-A164 PolarHBondContact O-N 2.61Å; D161-A164 PolarHBondContact OD1-N 3.33Å; A164-I166 PolarHBondContact O-N 2.62Å; A164-T167 WeakPolarHBondContact O-CB 3.47Å; A164-T167 PolarHBondContact O-N 2.83Å; A164-Q168 PolarHBondContact O-N 3.13Å
165	Q	98.6	Very high	98.3	Very high	76 Å²	76	65.1 Å²	65.1	36%	0.355	35%	0.354	S	S	.	.	H	α-helix	trans	-60.4	-27.8	173	-72.6	174.3	10.5	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.97Å; D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 2.82Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.88Å; Q165-R169 WeakPolarHBondContact O-CG 3.12Å; Q165-R169 PolarHBondContact O-N 3.43Å; Q165-R169 VanDerWaalsContact O-N 3.11Å
166	I	98.3	Very high	98.3	Very high	61 Å²	61	64.6 Å²	64.6	31%	0.313	34%	0.344	S	S	.	.	H	α-helix	trans	-65.8	-45.5	173.6	-57.5	170.2	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.26Å; Y108-I166 HydrophobicContact CE1-CG2 4.2Å; Y108-I166 HydrophobicContact CE2-CB 4.34Å; Y108-I166 HydrophobicContact CE2-CG2 4.16Å; Y108-I166 HydrophobicContact CG-CD1 4.25Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.47Å; A163-I166 PolarHBondContact O-N 2.86Å; A164-I166 PolarHBondContact O-N 2.62Å; I166-K170 WeakPolarHBondContact O-CG 3.48Å; I166-K170 PolarHBondContact O-N 3.15Å
167	T	98.3	Very high	98.4	Very high	17 Å²	17	63.1 Å²	63.1	10%	0.104	33%	0.334	C	S	.	.	H	α-helix	trans	-64.1	-44.8	175.4	-65	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact CE1-OG1 3.32Å; Y147-T167 PolarHBondContact OH-OG1 2.78Å; I148-T167 HydrophobicContact CD1-CG2 4.23Å; A164-T167 WeakPolarHBondContact O-CB 3.47Å; A164-T167 PolarHBondContact O-N 2.83Å; T167-R169 PolarHBondContact O-N 2.8Å; T167-K170 WeakPolarHBondContact O-CB 3.28Å; T167-K170 PolarHBondContact O-N 3.41Å; T167-K170 VanDerWaalsContact O-N 3.13Å; T167-W171 HydrophobicContact CG2-CD2 3.66Å; T167-W171 HydrophobicContact CG2-CE3 4.09Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.3Å; T167-W171 HydrophobicContact CG2-CZ2 3.87Å; T167-W171 HydrophobicContact CG2-CZ3 4.38Å; T167-W171 WeakPolarHBondContact O-CB 3.38Å; T167-W171 PolarHBondContact O-N 2.96Å
168	Q	98.6	Very high	98.3	Very high	39 Å²	39	67.9 Å²	67.9	18%	0.182	36%	0.357	C	S	.	.	H	α-helix	trans	-52.4	-52.8	177.6	177.9	174.5	6.9	0	0	111.6	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.87Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 3.49Å; A159-Q168 HydrophobicContact CB-CB 4.46Å; A164-Q168 PolarHBondContact O-N 3.13Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.93Å; Q168-W171 PolarHBondContact O-N 3.28Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; Q168-E172 HydrophobicContact CG-CG 4.31Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.46Å; Q168-E172 PolarHBondContact NE2-OE1 3.14Å; Q168-E172 WeakPolarHBondContact O-CB 3.47Å; Q168-E172 WeakPolarHBondContact O-CG 3.35Å; Q168-E172 PolarHBondContact O-N 3.11Å
169	R	98.6	Very high	98.3	Very high	158 Å²	158	69.8 Å²	69.8	60%	0.596	36%	0.36	S	S	*	.	H	α-helix	trans	-59.9	-38.6	179.7	-67.9	170.9	-164.7	155.3	8.2	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.12Å; Q165-R169 PolarHBondContact O-N 3.43Å; Q165-R169 VanDerWaalsContact O-N 3.11Å; T167-R169 PolarHBondContact O-N 2.8Å; R169-A173 WeakPolarHBondContact O-CB 3.37Å; R169-A173 PolarHBondContact O-N 3.3Å
170	K	98.1	Very high	98.3	Very high	116 Å²	116	69.9 Å²	69.9	50%	0.504	36%	0.357	S	S	.	.	H	α-helix	trans	-65.2	-44.9	176.4	-72	179.7	177.3	-174.3	0	111.2	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.97Å; I166-K170 WeakPolarHBondContact O-CG 3.48Å; I166-K170 PolarHBondContact O-N 3.15Å; T167-K170 WeakPolarHBondContact O-CB 3.28Å; T167-K170 PolarHBondContact O-N 3.41Å; T167-K170 VanDerWaalsContact O-N 3.13Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.93Å; K170-A173 PolarHBondContact O-N 2.85Å; K170-A174 WeakPolarHBondContact O-CB 3.5Å; K170-A174 PolarHBondContact O-N 3.13Å
171	W	98.3	Very high	98.2	Very high	60 Å²	60	72.1 Å²	72.1	23%	0.227	35%	0.353	C	S	.	.	H	α-helix	trans	-71.1	-35.6	-178.6	-74.7	3.6	0	0	0	112.9	L140 I148 W157 T167 Q168 A174 R175 E176	L140-W171 HydrophobicContact CD1-CH2 3.79Å; L140-W171 HydrophobicContact CD1-CZ3 4.08Å; L140-W171 HydrophobicContact CD2-CH2 3.97Å; I148-W171 HydrophobicContact CD1-CE3 4.07Å; I148-W171 HydrophobicContact CD1-CZ3 4.32Å; I148-W171 HydrophobicContact CG2-CE3 4.43Å; I148-W171 HydrophobicContact CG2-CH2 4.08Å; I148-W171 HydrophobicContact CG2-CZ3 3.66Å; W157-W171 HydrophobicContact CD2-CE3 4.08Å; W157-W171 AromaticContact CE2-CE3 3.92Å; W157-W171 AromaticContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CE3 3.87Å; W157-W171 AromaticContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CH2-CD2 4.35Å; W157-W171 AromaticContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CH2 4.49Å; W157-W171 AromaticContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CZ2-CB 4.46Å; W157-W171 HydrophobicContact CZ2-CD2 4.35Å; W157-W171 AromaticContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CZ3 4.12Å; W157-W171 AromaticContact CZ3-CE3 3.48Å; W157-W171 HydrophobicContact CZ3-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.48Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; T167-W171 HydrophobicContact CG2-CD2 3.66Å; T167-W171 HydrophobicContact CG2-CE3 4.09Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.3Å; T167-W171 HydrophobicContact CG2-CZ2 3.87Å; T167-W171 HydrophobicContact CG2-CZ3 4.38Å; T167-W171 WeakPolarHBondContact O-CB 3.38Å; T167-W171 PolarHBondContact O-N 2.96Å; Q168-W171 PolarHBondContact O-N 3.28Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 2.96Å; W171-R175 PolarHBondContact O-N 2.85Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 3.87Å; W171-E176 HydrophobicContact CD2-CG 4.49Å; W171-E176 HydrophobicContact CG-CB 4.14Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 3.16Å
172	E	98.5	Very high	98.3	Very high	94 Å²	94	72.6 Å²	72.6	44%	0.439	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-46.8	171.2	-73.3	169.2	173.8	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.31Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.46Å; Q168-E172 PolarHBondContact NE2-OE1 3.14Å; Q168-E172 WeakPolarHBondContact O-CB 3.47Å; Q168-E172 WeakPolarHBondContact O-CG 3.35Å; Q168-E172 PolarHBondContact O-N 3.11Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.39Å; E172-R175 PolarHBondContact O-N 3.11Å; E172-R175 VanDerWaalsContact O-N 3.11Å
173	A	98.4	Very high	98.3	Very high	88 Å²	88	70 Å²	70	73%	0.727	34%	0.343	S	S	*	.	H	α-helix	trans	-62.3	-35	176.9	0	0	0	0	0	112.8	R169 K170	R169-A173 WeakPolarHBondContact O-CB 3.37Å; R169-A173 PolarHBondContact O-N 3.3Å; K170-A173 PolarHBondContact O-N 2.85Å
174	A	98.1	Very high	98.3	Very high	49 Å²	49	69.9 Å²	69.9	41%	0.405	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.1	177.1	0	0	0	0	0	114.2	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.5Å; K170-A174 PolarHBondContact O-N 3.13Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 2.96Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.39Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.08Å; A174-E176 PolarHBondContact O-N 2.85Å
175	R	97.9	Very high	98.3	Very high	157 Å²	157	74 Å²	74	59%	0.592	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	39	-177.6	-59.2	177.2	169.6	-140.3	6.7	113.8	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 2.85Å; E172-R175 PolarHBondContact O-N 3.11Å; E172-R175 VanDerWaalsContact O-N 3.11Å; R175-A177 PolarHBondContact O-N 2.99Å; R175-E178 HydrophobicContact CB-CG 4.22Å; R175-E178 WeakPolarHBondContact CD-OE1 3.48Å; R175-E178 IonicContact CZ-OE1 3.52Å; R175-E178 IonicContact NE-OE1 2.8Å; R175-E178 IonicContact NH1-OE1 3.61Å; R175-E178 PolarHBondContact NH1-OE1 2.88Å; R175-E178 IonicContact NH1-OE2 3.54Å; R175-E178 WeakPolarHBondContact O-CB 3.43Å; R175-E178 PolarHBondContact O-N 2.91Å; R175-E178 VanDerWaalsContact O-N 3.08Å
176	E	97.9	Very high	98.2	Very high	59 Å²	59	71.4 Å²	71.4	28%	0.276	35%	0.354	S	S	.	.	H	α-helix	trans	-60	-31.2	-178.3	-68.7	-70.2	176	0	0	112.8	W157 W171 A174 E178 Q179 L180	W157-E176 HydrophobicContact CZ2-CB 4.18Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 3.87Å; W171-E176 HydrophobicContact CD2-CG 4.49Å; W171-E176 HydrophobicContact CG-CB 4.14Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 3.16Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.08Å; A174-E176 PolarHBondContact O-N 2.85Å; E176-E178 VanDerWaalsContact C-N 3.29Å; E176-E178 PolarHBondContact O-N 3.13Å; E176-Q179 PolarHBondContact O-N 2.82Å; E176-L180 WeakPolarHBondContact O-CG 3.4Å; E176-L180 PolarHBondContact O-N 2.84Å
177	A	98.4	Very high	98.2	Very high	8 Å²	8	72.6 Å²	72.6	7%	0.066	36%	0.361	C	S	.	.	H	α-helix	trans	-61.6	-36.7	177	0	0	0	0	0	112.2	L150 S155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 4Å; S155-A177 WeakPolarHBondContact O-CB 3.4Å; W157-A177 HydrophobicContact CZ2-CB 4.23Å; R175-A177 PolarHBondContact O-N 2.99Å; A177-Q179 PolarHBondContact O-N 3.07Å; A177-L180 PolarHBondContact O-N 2.75Å; A177-R181 WeakPolarHBondContact O-CB 3.25Å; A177-R181 PolarHBondContact O-N 2.87Å
178	E	98.1	Very high	98.2	Very high	111 Å²	111	71.8 Å²	71.8	52%	0.519	36%	0.356	S	S	.	.	H	α-helix	trans	-64.4	-41.1	178.2	-63	176.5	-173	0	0	111.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.22Å; R175-E178 WeakPolarHBondContact CD-OE1 3.48Å; R175-E178 IonicContact CZ-OE1 3.52Å; R175-E178 IonicContact NE-OE1 2.8Å; R175-E178 IonicContact NH1-OE1 3.61Å; R175-E178 PolarHBondContact NH1-OE1 2.88Å; R175-E178 IonicContact NH1-OE2 3.54Å; R175-E178 WeakPolarHBondContact O-CB 3.43Å; R175-E178 PolarHBondContact O-N 2.91Å; R175-E178 VanDerWaalsContact O-N 3.08Å; E176-E178 VanDerWaalsContact C-N 3.29Å; E176-E178 PolarHBondContact O-N 3.13Å; E178-A182 WeakPolarHBondContact O-CB 3.26Å; E178-A182 PolarHBondContact O-N 3.05Å
179	Q	97.5	Very high	98.2	Very high	120 Å²	120	70.3 Å²	70.3	56%	0.561	35%	0.349	S	S	*	.	H	α-helix	trans	-67.5	-44	177.6	-61.4	-177.4	41.4	0	0	111.7	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 2.82Å; A177-Q179 PolarHBondContact O-N 3.07Å; Q179-A182 PolarHBondContact O-N 2.75Å; Q179-Y183 PolarHBondContact O-N 3.3Å
180	L	98.1	Very high	98.2	Very high	24 Å²	24	68.3 Å²	68.3	13%	0.126	35%	0.347	C	S	.	.	H	α-helix	trans	-65.1	-42.7	177.6	-72	169.3	0	0	0	111.5	N138 L150 W157 E176 A177 A182 Y183 L184	N138-L180 HydrophobicContact CB-CD1 4.37Å; N138-L180 WeakPolarHBondContact ND2-CD1 3.38Å; L150-L180 HydrophobicContact CD2-CB 4.2Å; L150-L180 HydrophobicContact CD2-CD1 4.45Å; W157-L180 HydrophobicContact CH2-CD1 3.35Å; W157-L180 HydrophobicContact CZ2-CD1 3.85Å; W157-L180 HydrophobicContact CZ3-CD1 4.43Å; E176-L180 WeakPolarHBondContact O-CG 3.4Å; E176-L180 PolarHBondContact O-N 2.84Å; A177-L180 PolarHBondContact O-N 2.75Å; L180-A182 PolarHBondContact O-N 3.24Å; L180-Y183 PolarHBondContact O-N 3.01Å; L180-L184 WeakPolarHBondContact O-CB 3.49Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 2.85Å
181	R	98.4	Very high	98.2	Very high	110 Å²	110	65 Å²	65	42%	0.415	33%	0.331	S	S	.	.	H	α-helix	trans	-58.2	-48.1	174.3	-178.3	178.7	175.3	169.7	8.6	111.3	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.12Å; L154-R181 HydrophobicContact CB-CG 3.97Å; L154-R181 HydrophobicContact CD1-CG 4.32Å; A177-R181 WeakPolarHBondContact O-CB 3.25Å; A177-R181 PolarHBondContact O-N 2.87Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 2.87Å; R181-L184 PolarHBondContact O-N 3.01Å; R181-L184 VanDerWaalsContact O-N 3.17Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 WeakPolarHBondContact CG-OE2 3.45Å; R181-E185 IonicContact CZ-OE1 3.95Å; R181-E185 IonicContact CZ-OE2 3.6Å; R181-E185 VanDerWaalsContact NE-CD 3.26Å; R181-E185 IonicContact NE-OE1 3.86Å; R181-E185 PolarHBondContact NE-OE1 3.12Å; R181-E185 IonicContact NE-OE2 2.81Å; R181-E185 PolarHBondContact NE-OE2 2.74Å; R181-E185 IonicContact NH2-OE1 2.76Å; R181-E185 PolarHBondContact NH2-OE1 3.15Å; R181-E185 IonicContact NH2-OE2 2.99Å; R181-E185 WeakPolarHBondContact O-CB 3.17Å; R181-E185 PolarHBondContact O-N 2.77Å
182	A	98.4	Very high	98.2	Very high	64 Å²	64	62.1 Å²	62.1	53%	0.529	32%	0.32	S	S	.	.	H	α-helix	trans	-58.7	-40	177.9	0	0	0	0	0	112.5	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.26Å; E178-A182 PolarHBondContact O-N 3.05Å; Q179-A182 PolarHBondContact O-N 2.75Å; L180-A182 PolarHBondContact O-N 3.24Å; A182-G186 PolarHBondContact O-N 2.86Å; A182-G186 VanDerWaalsContact O-N 3.11Å
183	Y	98.3	Very high	98.1	Very high	55 Å²	55	63.5 Å²	63.5	22%	0.216	32%	0.321	C	S	.	.	I	π-helix	trans	-66.6	-47.7	173.4	170.2	-96.3	0	0	0	112.4	Y123 Q179 L180 R181 G186 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.86Å; Y123-Y183 HydrophobicContact CD2-CE1 3.86Å; Y123-Y183 AromaticContact CE2-CE1 3.79Å; Y123-Y183 HydrophobicContact CE2-CE1 3.79Å; Y123-Y183 AromaticContact CE2-CZ 4Å; Q179-Y183 PolarHBondContact O-N 3.3Å; L180-Y183 PolarHBondContact O-N 3.01Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 2.87Å; Y183-G186 CarbonylContact O-C 3.54Å; Y183-G186 PolarHBondContact O-N 2.89Å; Y183-L187 HydrophobicContact CD2-CB 3.87Å; Y183-L187 HydrophobicContact CD2-CD1 4.25Å; Y183-L187 HydrophobicContact CE2-CB 4.08Å; Y183-L187 PolarHBondContact O-N 2.84Å; Y183-L187 VanDerWaalsContact O-N 3.16Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.84Å; Y183-C188 WeakPolarHBondContact O-CB 3.49Å; Y183-C188 PolarHBondContact O-N 2.78Å
184	L	98.4	Very high	98.1	Very high	1 Å²	1	65 Å²	65	1%	0.005	31%	0.308	C	S	.	.	I	π-helix	trans	-69.4	-38.2	-174.1	-71.7	171	0	0	0	112.6	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.45Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å; L154-L184 HydrophobicContact CD2-CD1 3.98Å; L180-L184 WeakPolarHBondContact O-CB 3.49Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 2.85Å; R181-L184 PolarHBondContact O-N 3.01Å; R181-L184 VanDerWaalsContact O-N 3.17Å; L184-V189 WeakPolarHBondContact O-CG2 3.4Å
185	E	98	Very high	98.1	Very high	87 Å²	87	62.8 Å²	62.8	41%	0.407	29%	0.289	S	S	.	.	I	π-helix	trans	-81.1	-24	176.7	-69.2	179.2	161.5	0	0	113	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.36Å; L133-E185 HydrophobicContact CD2-CG 3.63Å; L154-E185 HydrophobicContact CD1-CG 4.2Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 WeakPolarHBondContact CG-OE2 3.45Å; R181-E185 IonicContact CZ-OE1 3.95Å; R181-E185 IonicContact CZ-OE2 3.6Å; R181-E185 VanDerWaalsContact NE-CD 3.26Å; R181-E185 IonicContact NE-OE1 3.86Å; R181-E185 PolarHBondContact NE-OE1 3.12Å; R181-E185 IonicContact NE-OE2 2.81Å; R181-E185 PolarHBondContact NE-OE2 2.74Å; R181-E185 IonicContact NH2-OE1 2.76Å; R181-E185 PolarHBondContact NH2-OE1 3.15Å; R181-E185 IonicContact NH2-OE2 2.99Å; R181-E185 WeakPolarHBondContact O-CB 3.17Å; R181-E185 PolarHBondContact O-N 2.77Å
186	G	97.9	Very high	98	Very high	22 Å²	22	56 Å²	56	23%	0.227	27%	0.265	C	S	.	.	I	π-helix	trans	-106.9	-95.1	-178.1	0	0	0	0	0	112.9	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.86Å; A182-G186 VanDerWaalsContact O-N 3.11Å; Y183-G186 CarbonylContact O-C 3.54Å; Y183-G186 PolarHBondContact O-N 2.89Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 3.27Å; G186-V189 WeakPolarHBondContact O-CB 3.11Å; G186-V189 PolarHBondContact O-N 2.62Å; G186-E190 PolarHBondContact O-N 3.08Å
187	L	97.9	Very high	97.9	Very high	86 Å²	86	59 Å²	59	45%	0.45	28%	0.279	S	S	.	.	I	π-helix	trans	-55.3	-39.5	-170.2	-70.9	176.3	0	0	0	113.6	Y183 V189 E190 W191	Y183-L187 HydrophobicContact CD2-CB 3.87Å; Y183-L187 HydrophobicContact CD2-CD1 4.25Å; Y183-L187 HydrophobicContact CE2-CB 4.08Å; Y183-L187 PolarHBondContact O-N 2.84Å; Y183-L187 VanDerWaalsContact O-N 3.16Å; L187-V189 VanDerWaalsContact C-N 3.35Å; L187-V189 PolarHBondContact O-N 3.39Å; L187-E190 PolarHBondContact O-N 3.24Å; L187-W191 WeakPolarHBondContact O-CB 3.24Å; L187-W191 PolarHBondContact O-N 3.15Å
188	C	98.4	Very high	97.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-47	178.7	-170.3	0	0	0	0	111.2	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.23Å; M29-C188 VanDerWaalsContact CE-SG 3.53Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.29Å; C125-C188 PolarHBondContact N-SG 2.98Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 PolarHBondContact SG-O 3.23Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.47Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.84Å; Y183-C188 WeakPolarHBondContact O-CB 3.49Å; Y183-C188 PolarHBondContact O-N 2.78Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 3.27Å; C188-L192 VanDerWaalsContact O-CB 3.3Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 2.91Å
189	V	98.3	Very high	97.7	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-45.5	178	176.9	0	0	0	0	110.9	L127 L133 L184 G186 L187 L192 R193	L127-V189 HydrophobicContact CD1-CG1 4.4Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.76Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.09Å; L184-V189 WeakPolarHBondContact O-CG2 3.4Å; G186-V189 WeakPolarHBondContact O-CB 3.11Å; G186-V189 PolarHBondContact O-N 2.62Å; L187-V189 VanDerWaalsContact C-N 3.35Å; L187-V189 PolarHBondContact O-N 3.39Å; V189-L192 PolarHBondContact O-N 2.84Å; V189-R193 VanDerWaalsContact CG1-CZ 3.47Å; V189-R193 WeakPolarHBondContact O-CG 3.44Å; V189-R193 PolarHBondContact O-N 2.92Å
190	E	98.1	Very high	97.5	Very high	117 Å²	117	55.1 Å²	55.1	55%	0.547	26%	0.26	S	S	.	.	H	α-helix	trans	-61.3	-47.7	179.8	-70.6	176.7	-179.9	0	0	112.1	G186 L187 R193 R194	G186-E190 PolarHBondContact O-N 3.08Å; L187-E190 PolarHBondContact O-N 3.24Å; E190-R193 PolarHBondContact O-N 3.22Å; E190-R194 PolarHBondContact O-N 2.84Å
191	W	98.2	Very high	97.2	Very high	46 Å²	46	62 Å²	62	17%	0.174	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-43.4	178.5	-81.3	111.1	0	0	0	112	M29 Y83 L187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.43Å; Y83-W191 AromaticContact CD2-CH2 3.65Å; Y83-W191 HydrophobicContact CD2-CH2 3.65Å; Y83-W191 HydrophobicContact CD2-CZ2 4.23Å; Y83-W191 HydrophobicContact CD2-CZ3 4.01Å; Y83-W191 HydrophobicContact CE2-CE3 4.47Å; Y83-W191 HydrophobicContact CE2-CH2 4.01Å; Y83-W191 HydrophobicContact CE2-CZ2 4.48Å; Y83-W191 AromaticContact CE2-CZ3 3.99Å; Y83-W191 HydrophobicContact CE2-CZ3 3.99Å; L187-W191 WeakPolarHBondContact O-CB 3.24Å; L187-W191 PolarHBondContact O-N 3.15Å; W191-R193 PolarHBondContact O-N 3.37Å; W191-R194 WeakPolarHBondContact O-CB 3.3Å; W191-R194 PolarHBondContact O-N 2.95Å; W191-Y195 HydrophobicContact CB-CE2 3.96Å; W191-Y195 HydrophobicContact CE3-CD1 4.37Å; W191-Y195 AromaticContact CE3-CE1 3.44Å; W191-Y195 HydrophobicContact CE3-CE1 3.44Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.44Å; W191-Y195 HydrophobicContact CE3-CE2 4.32Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.86Å; W191-Y195 HydrophobicContact CZ3-CE1 3.86Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.36Å; W191-Y195 PolarHBondContact O-N 3.48Å
192	L	98.4	Very high	97	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-44.9	177.1	174.9	51	0	0	0	111.3	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.45Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.33Å; M29-L192 HydrophobicContact SD-CB 4.45Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.29Å; L127-L192 HydrophobicContact CD1-CB 4.21Å; L127-L192 HydrophobicContact CD1-CD2 3.65Å; L127-L192 HydrophobicContact CD1-CG 3.72Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.23Å; C188-L192 VanDerWaalsContact O-CB 3.3Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 2.91Å; V189-L192 PolarHBondContact O-N 2.84Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.84Å; L192-Y195 PolarHBondContact O-N 3.15Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.29Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 2.87Å
193	R	97.2	Very high	96.7	Very high	122 Å²	122	56 Å²	56	46%	0.46	26%	0.26	S	S	.	.	H	α-helix	trans	-59.2	-44.4	174.5	-72.5	175.3	-175.4	160.1	-0.1	112.3	L127 G131 V189 E190 W191 Y195 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.95Å; G131-R193 VanDerWaalsContact O-CZ 3.25Å; G131-R193 PolarHBondContact O-NE 2.81Å; G131-R193 PolarHBondContact O-NH2 3.4Å; V189-R193 VanDerWaalsContact CG1-CZ 3.47Å; V189-R193 WeakPolarHBondContact O-CG 3.44Å; V189-R193 PolarHBondContact O-N 2.92Å; E190-R193 PolarHBondContact O-N 3.22Å; W191-R193 PolarHBondContact O-N 3.37Å; R193-Y195 PolarHBondContact O-N 2.84Å; R193-L196 PolarHBondContact O-N 2.89Å; R193-E197 PolarHBondContact O-N 2.7Å
194	R	97.4	Very high	96.4	Very high	120 Å²	120	57.6 Å²	57.6	45%	0.453	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-44.5	176.4	178.8	179	173.7	111.4	-6.1	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.12Å; E79-R194 IonicContact OE1-NE 3.37Å; E79-R194 PolarHBondContact OE1-NE 3.12Å; E79-R194 IonicContact OE1-NH2 3.3Å; E79-R194 PolarHBondContact OE1-NH2 3.36Å; E79-R194 IonicContact OE2-CZ 3.87Å; E79-R194 IonicContact OE2-NE 2.7Å; E79-R194 IonicContact OE2-NH2 2.76Å; E79-R194 PolarHBondContact OE2-NH2 3.12Å; E190-R194 PolarHBondContact O-N 2.84Å; W191-R194 WeakPolarHBondContact O-CB 3.3Å; W191-R194 PolarHBondContact O-N 2.95Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.84Å; R194-E197 PolarHBondContact O-N 3.38Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 3.29Å; R194-N198 PolarHBondContact O-OD1 2.88Å
195	Y	97.9	Very high	96.1	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-39	179	-61.5	-26.5	0	0	0	112.5	M29 V52 F57 W75 I76 Y83 W191 L192 R193 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å; V52-Y195 HydrophobicContact CG2-CD2 4Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.71Å; F57-Y195 HydrophobicContact CE2-CE2 3.71Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.83Å; F57-Y195 HydrophobicContact CZ-CE2 3.83Å; W75-Y195 HydrophobicContact CE3-CD1 4.46Å; W75-Y195 HydrophobicContact CH2-CD2 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.13Å; W75-Y195 AromaticContact CZ3-CD1 3.72Å; W75-Y195 HydrophobicContact CZ3-CD1 3.72Å; W75-Y195 HydrophobicContact CZ3-CD2 4.34Å; W75-Y195 HydrophobicContact CZ3-CE1 4.49Å; W75-Y195 AromaticContact CZ3-CG 3.63Å; W75-Y195 HydrophobicContact CZ3-CG 3.63Å; I76-Y195 HydrophobicContact CD1-CD1 3.81Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.26Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.21Å; Y83-Y195 PolarHBondContact OH-OH 3.4Å; W191-Y195 HydrophobicContact CB-CE2 3.96Å; W191-Y195 HydrophobicContact CE3-CD1 4.37Å; W191-Y195 AromaticContact CE3-CE1 3.44Å; W191-Y195 HydrophobicContact CE3-CE1 3.44Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.44Å; W191-Y195 HydrophobicContact CE3-CE2 4.32Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.86Å; W191-Y195 HydrophobicContact CZ3-CE1 3.86Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.36Å; W191-Y195 PolarHBondContact O-N 3.48Å; L192-Y195 PolarHBondContact O-N 3.15Å; R193-Y195 PolarHBondContact O-N 2.84Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.93Å; Y195-N198 PolarHBondContact O-N 3.06Å; Y195-G199 WeakPolarHBondContact O-CA 3.5Å; Y195-G199 PolarHBondContact O-N 2.86Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å
196	L	96.6	Very high	96	Very high	15 Å²	15	60.7 Å²	60.7	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-36.6	174.5	-71	169.5	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.22Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.29Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 2.87Å; R193-L196 PolarHBondContact O-N 2.89Å; L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.07Å; L196-K200 WeakPolarHBondContact O-CB 3.39Å; L196-K200 PolarHBondContact O-N 2.86Å; L196-K200 VanDerWaalsContact O-N 3.1Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; L196-Q204 HydrophobicContact CD2-CG 4.5Å; L196-Q204 PolarHBondContact O-NE2 2.98Å
197	E	96.1	Very high	96	Very high	122 Å²	122	61.4 Å²	61.4	57%	0.57	28%	0.283	S	S	*	.	H	α-helix	trans	-71.2	-49	174.8	-172.3	58.7	-152.9	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.7Å; R194-E197 PolarHBondContact O-N 3.38Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.93Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 3.25Å; E197-K200 WeakPolarHBondContact O-CB 3.44Å; E197-K200 PolarHBondContact O-N 2.9Å
198	N	96.6	Very high	95.9	Very high	47 Å²	47	60.4 Å²	60.4	25%	0.251	28%	0.282	S	S	.	.	H	α-helix	trans	-58.5	-40.4	178.3	-69.6	-5.8	0	0	0	112.5	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 3.11Å; Q78-N198 PolarHBondContact NE2-OD1 3.35Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.1Å; E79-N198 PolarHBondContact OE1-ND2 3.35Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 3.29Å; R194-N198 PolarHBondContact O-OD1 2.88Å; Y195-N198 PolarHBondContact O-N 3.06Å
199	G	95.8	Very high	95.9	Very high	3 Å²	3	60.9 Å²	60.9	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	14.7	-175.8	0	0	0	0	0	114.2	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.5Å; Y195-G199 PolarHBondContact O-N 2.86Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 3.25Å; G199-E201 VanDerWaalsContact C-N 3.3Å; G199-E201 PolarHBondContact O-N 3.01Å; G199-E201 VanDerWaalsContact O-N 3.14Å; G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.41Å; G199-T202 PolarHBondContact O-N 3.01Å; G199-T202 PolarHBondContact O-OG1 3Å; G199-L203 PolarHBondContact O-N 3.39Å
200	K	93.9	Very high	95.9	Very high	107 Å²	107	68 Å²	68	47%	0.465	32%	0.316	S	S	.	.	H	α-helix	trans	-49.8	-43	-169.1	-178.5	174	-174.9	174.6	0	114.8	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.07Å; L196-K200 WeakPolarHBondContact O-CB 3.39Å; L196-K200 PolarHBondContact O-N 2.86Å; L196-K200 VanDerWaalsContact O-N 3.1Å; E197-K200 WeakPolarHBondContact O-CB 3.44Å; E197-K200 PolarHBondContact O-N 2.9Å; K200-T202 PolarHBondContact O-N 3.36Å; K200-T202 VanDerWaalsContact O-N 3.17Å; K200-Q204 HydrophobicContact CG-CB 4.46Å; K200-Q204 HydrophobicContact CG-CG 4.49Å; K200-Q204 PolarHBondContact O-N 3.44Å
201	E	91.9	Very high	95.9	Very high	170 Å²	170	64.1 Å²	64.1	79%	0.794	30%	0.3	S	S	*	.	H	α-helix	trans	-63.1	-22.8	179.4	-61.9	-172.8	164.3	0	0	113.5	G199 R205	G199-E201 VanDerWaalsContact C-N 3.3Å; G199-E201 PolarHBondContact O-N 3.01Å; G199-E201 VanDerWaalsContact O-N 3.14Å; E201-R205 PolarHBondContact O-NH1 2.92Å
202	T	92.4	Very high	95.9	Very high	43 Å²	43	65.7 Å²	65.7	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-102.5	-69.7	177.7	56.7	0	0	0	0	110.4	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.41Å; G199-T202 PolarHBondContact O-N 3.01Å; G199-T202 PolarHBondContact O-OG1 3Å; K200-T202 PolarHBondContact O-N 3.36Å; K200-T202 VanDerWaalsContact O-N 3.17Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 3.06Å; T202-R205 WeakPolarHBondContact O-CB 3.35Å; T202-R205 PolarHBondContact O-N 2.94Å; T202-R263 VanDerWaalsContact CA-NH1 3.3Å; T202-R263 PolarHBondContact O-NH1 2.7Å; T202-R263 PolarHBondContact O-NH2 3.3Å
203	L	93.2	Very high	95.9	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-60.9	-34.3	-168.4	-61.9	172.2	0	0	0	114.1	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.5Å; T55-L203 HydrophobicContact CG2-CD2 4.09Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.38Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.22Å; W75-L203 HydrophobicContact CZ2-CG 4.45Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; G199-L203 PolarHBondContact O-N 3.39Å; L203-R205 VanDerWaalsContact C-N 3.33Å
204	Q	91.7	Very high	95.9	Very high	89 Å²	89	62.5 Å²	62.5	42%	0.416	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	12.3	179.7	-58.8	-179.2	37.1	0	0	112.8	L196 K200 T202	L196-Q204 HydrophobicContact CD2-CG 4.5Å; L196-Q204 PolarHBondContact O-NE2 2.98Å; K200-Q204 HydrophobicContact CG-CB 4.46Å; K200-Q204 HydrophobicContact CG-CG 4.49Å; K200-Q204 PolarHBondContact O-N 3.44Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 3.06Å
205	R	93.1	Very high	95.8	Very high	118 Å²	118	59.3 Å²	59.3	45%	0.445	29%	0.293	S	S	.	.			trans	-107.1	117.3	175.9	-169.5	-177.2	78.6	-147.8	2.8	110	E201 T202 L203 D207 Y233	E201-R205 PolarHBondContact O-NH1 2.92Å; T202-R205 WeakPolarHBondContact O-CB 3.35Å; T202-R205 PolarHBondContact O-N 2.94Å; L203-R205 VanDerWaalsContact C-N 3.33Å; R205-D207 IonicContact CZ-OD1 2.67Å; R205-D207 IonicContact CZ-OD2 3.57Å; R205-D207 IonicContact NE-OD1 3.33Å; R205-D207 PolarHBondContact NE-OD1 2.94Å; R205-D207 IonicContact NE-OD2 3.34Å; R205-D207 IonicContact NH2-OD1 3.65Å; R205-D207 IonicContact NH2-OD2 3.52Å; R205-D207 PolarHBondContact NH2-OD2 3.44Å; R205-D207 VanDerWaalsContact NH2-OD2 3.12Å; R205-Y233 WeakPolarHBondContact O-CD1 3.41Å
206	A	95.3	Very high	95.7	Very high	34 Å²	34	63 Å²	63	28%	0.281	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-86.3	126.8	166.8	0	0	0	0	0	110.2	Y233 E288	A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.36Å; A206-E288 HydrophobicContact CB-CB 4.49Å
207	D	96.6	Very high	95.6	Very high	37 Å²	37	66.9 Å²	66.9	20%	0.198	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-99	116.8	175.3	-67.2	-31.8	0	0	0	107.6	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 2.67Å; R205-D207 IonicContact CZ-OD2 3.57Å; R205-D207 IonicContact NE-OD1 3.33Å; R205-D207 PolarHBondContact NE-OD1 2.94Å; R205-D207 IonicContact NE-OD2 3.34Å; R205-D207 IonicContact NH2-OD1 3.65Å; R205-D207 IonicContact NH2-OD2 3.52Å; R205-D207 PolarHBondContact NH2-OD2 3.44Å; R205-D207 VanDerWaalsContact NH2-OD2 3.12Å; D207-F232 WeakPolarHBondContact O-CA 3.44Å; D207-F232 WeakPolarHBondContact O-CB 3.48Å; D207-Y233 PolarHBondContact N-O 3.17Å; D207-Y233 PolarHBondContact O-N 2.8Å; D207-H287 PolarHBondContact O-CE1 2.91Å
208	P	97.7	Very high	95.5	Very high	66 Å²	66	65.8 Å²	65.8	43%	0.429	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-69.9	149	-176.4	25.2	-32.6	0	0	0	112.7	L290	P208-L290 HydrophobicContact CB-CD2 3.9Å; P208-L290 HydrophobicContact CB-CG 4.49Å
209	P	98.3	Very high	95.3	Very high	9 Å²	9	66.1 Å²	66.1	6%	0.058	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-67	135.4	179	28.1	-35.1	0	0	0	112.2	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.93Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.48Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.13Å; P209-I237 HydrophobicContact CB-CD1 4.07Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.17Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.2Å
210	K	98.4	Very high	95.1	Very high	157 Å²	157	73 Å²	73	68%	0.683	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	112.2	163.5	-62.4	174.9	-172.9	170.6	0	108	L230	K210-L230 PolarHBondContact N-O 3.05Å; K210-L230 PolarHBondContact O-N 3.4Å
211	T	98.2	Very high	95	Very high	35 Å²	35	74.9 Å²	74.9	22%	0.215	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.3	-171.3	58.9	0	0	0	0	113.2	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.93Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.48Å; T211-W228 WeakPolarHBondContact CA-O 3.37Å; T211-A229 HydrophobicContact CG2-CB 4.32Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.15Å; T211-V285 HydrophobicContact CG2-CG2 4.05Å; T211-L294 HydrophobicContact CG2-CD1 4.3Å; T211-L296 VanDerWaalsContact CB-CD1 3.43Å; T211-L296 HydrophobicContact CG2-CD1 4.17Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.39Å
212	H	97.4	Very high	95.2	Very high	80 Å²	80	71.1 Å²	71.1	37%	0.37	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	160.8	172.2	62.5	-75.8	0	0	0	110.5	W228	H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.28Å; H212-W228 AromaticContact CE1-CG 3.73Å; H212-W228 PolarHBondContact N-O 2.82Å; H212-W228 AromaticContact NE2-CD1 3.55Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 2.88Å
213	V	98.3	Very high	95.4	Very high	22 Å²	22	69.2 Å²	69.2	13%	0.133	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.4	176.6	-179.6	0	0	0	0	109.2	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.32Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.24Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.84Å; V213-W241 HydrophobicContact CG1-CZ2 4.27Å; V213-W241 HydrophobicContact CG2-CH2 4.25Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.83Å
214	T	97	Very high	95.6	Very high	33 Å²	33	70 Å²	70	20%	0.202	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	149.9	171.9	63.7	0	0	0	0	110.7	H216 L225 R226 W228	T214-H216 WeakPolarHBondContact CB-NE2 3.41Å; T214-H216 PolarHBondContact OG1-NE2 2.84Å; T214-L225 WeakPolarHBondContact O-CA 3.27Å; T214-R226 PolarHBondContact N-O 2.92Å; T214-R226 PolarHBondContact O-N 3.07Å; T214-W228 PolarHBondContact OG1-NE1 2.91Å
215	H	96.4	Very high	96	Very high	53 Å²	53	65.8 Å²	65.8	25%	0.245	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.2	179.2	170.2	-93.1	0	0	0	109.6	A223 T224 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.37Å; H215-T224 WeakPolarHBondContact CA-O 3.4Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.97Å
216	H	95.2	Very high	96.2	Very high	78 Å²	78	62.7 Å²	62.7	36%	0.361	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	104.5	-178.5	-55.3	-70.7	0	0	0	109.6	T214 I218 A223 T224 R226	T214-H216 WeakPolarHBondContact CB-NE2 3.41Å; T214-H216 PolarHBondContact OG1-NE2 2.84Å; H216-I218 PolarHBondContact O-N 3.2Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.27Å; H216-T224 PolarHBondContact N-O 2.92Å; H216-T224 PolarHBondContact O-N 3.35Å; H216-R226 PolarHBondContact CD2-NH1 3.31Å; H216-R226 VanDerWaalsContact CD2-NH1 3.33Å; H216-R226 PolarHBondContact NE2-NH1 3.24Å; H216-R226 VanDerWaalsContact NE2-NH1 3.19Å
217	P	94.5	Very high	96.4	Very high	98 Å²	98	61 Å²	61	64%	0.636	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	133.2	173.8	-20.9	31.2	0	0	0	111
218	I	93	Very high	96.5	Very high	99 Å²	99	61.6 Å²	61.6	51%	0.508	32%	0.316	S	S	.	.			trans	-101.7	-45	173.2	-56	169.4	0	0	0	109.3	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 3.2Å; I218-E222 PolarHBondContact N-O 2.8Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.49Å; I218-V272 HydrophobicContact CD1-CG1 4.01Å; I218-V272 HydrophobicContact CD1-CG2 4.08Å
219	S	93.3	Very high	96.5	Very high	53 Å²	53	58.4 Å²	58.4	37%	0.371	30%	0.296	S	S	.	.	S	Bend	trans	-147.3	-179	178.4	72.4	0	0	0	0	110.1	H221 E222	S219-H221 PolarHBondContact O-N 3.04Å; S219-H221 PolarHBondContact OG-N 3.5Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; S219-E222 PolarHBondContact N-O 2.72Å; S219-E222 VanDerWaalsContact N-O 3.09Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.49Å
220	D	90.6	Very high	96.5	Very high	149 Å²	149	60.5 Å²	60.5	80%	0.797	31%	0.306	S	S	*	.	S	Bend	trans	-63.3	-19.3	173	-64.7	-21.6	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 3.27Å
221	H	93.6	Very high	96.5	Very high	146 Å²	146	54.1 Å²	54.1	68%	0.676	29%	0.285	S	S	*	.	S	Bend	trans	-105.4	-16.4	-174.3	-55.4	-50.5	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.04Å; S219-H221 PolarHBondContact OG-N 3.5Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; H221-P274 CarbonylContact O-C 3.57Å; H221-P274 WeakPolarHBondContact O-CA 3.36Å; H221-S275 PolarHBondContact O-N 2.84Å; H221-S275 PolarHBondContact O-OG 3.26Å
222	E	95.8	Very high	96.5	Very high	91 Å²	91	52.5 Å²	52.5	43%	0.425	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	147	-171.1	-65.9	-179.6	165.5	0	0	112.8	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 2.8Å; S219-E222 PolarHBondContact N-O 2.72Å; S219-E222 VanDerWaalsContact N-O 3.09Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.49Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; E222-V273 WeakPolarHBondContact CA-O 3.05Å; E222-S275 PolarHBondContact N-OG 2.04Å
223	A	96.5	Very high	96.5	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.8	171.9	0	0	0	0	0	111.3	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.37Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.27Å; A223-V272 WeakPolarHBondContact O-CA 3.34Å; A223-V273 PolarHBondContact N-O 3.44Å; A223-V273 PolarHBondContact O-N 2.74Å
224	T	97.8	Very high	96.4	Very high	21 Å²	21	48.7 Å²	48.7	13%	0.129	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.6	166.9	-53.9	0	0	0	0	109.9	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.4Å; H216-T224 PolarHBondContact N-O 2.92Å; H216-T224 PolarHBondContact O-N 3.35Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.49Å; T224-A270 HydrophobicContact CG2-CB 3.84Å; T224-V271 WeakPolarHBondContact CA-O 3.23Å
225	L	98.3	Very high	96.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127	160.9	-63.2	-176.1	0	0	0	109.1	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.32Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; T214-L225 WeakPolarHBondContact O-CA 3.27Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.5Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 2.78Å; L225-V271 PolarHBondContact O-N 3.17Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.16Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; L225-W298 HydrophobicContact CD1-CB 4.39Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.36Å; L225-W298 HydrophobicContact CD2-CG 3.95Å
226	R	98.4	Very high	96.4	Very high	53 Å²	53	50.9 Å²	50.9	20%	0.2	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.3	176.9	-177	178.8	-65.6	114.2	0.7	110.4	V213 T214 H216 W228 W268 A270	V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.24Å; T214-R226 PolarHBondContact N-O 2.92Å; T214-R226 PolarHBondContact O-N 3.07Å; H216-R226 PolarHBondContact CD2-NH1 3.31Å; H216-R226 VanDerWaalsContact CD2-NH1 3.33Å; H216-R226 PolarHBondContact NE2-NH1 3.24Å; H216-R226 VanDerWaalsContact NE2-NH1 3.19Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 VanDerWaalsContact CD-CZ2 3.43Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.91Å; R226-W268 HydrophobicContact CG-CG 4.22Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.16Å
227	C	98.4	Very high	96.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.5	175.1	-172.9	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.48Å; C227-W268 WeakPolarHBondContact O-CA 3.39Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; C227-A269 PolarHBondContact N-O 2.98Å; C227-A269 PolarHBondContact O-N 2.69Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3Å
228	W	98.6	Very high	96.7	Very high	48 Å²	48	45.4 Å²	45.4	18%	0.182	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.4	179.3	-70.5	89.3	0	0	0	110.8	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.37Å; H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.28Å; H212-W228 AromaticContact CE1-CG 3.73Å; H212-W228 PolarHBondContact N-O 2.82Å; H212-W228 AromaticContact NE2-CD1 3.55Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 2.88Å; T214-W228 PolarHBondContact OG1-NE1 2.91Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 VanDerWaalsContact CD-CZ2 3.43Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; W228-L230 HydrophobicContact CE3-CD2 3.84Å; W228-L230 HydrophobicContact CZ3-CD2 4.38Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.21Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.6Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ2-CG 4.5Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å
229	A	98.7	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.5	162	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.32Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.42Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.13Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.14Å; A229-K267 PolarHBondContact N-O 3.25Å; A229-K267 PolarHBondContact O-N 3.24Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.5	Very high	97.1	Very high	52 Å²	52	40.3 Å²	40.3	27%	0.272	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.2	-175	-58.6	177.2	0	0	0	110.9	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.05Å; K210-L230 PolarHBondContact O-N 3.4Å; W228-L230 HydrophobicContact CE3-CD2 3.84Å; W228-L230 HydrophobicContact CZ3-CD2 4.38Å; L230-F232 VanDerWaalsContact C-N 3.35Å; L230-F232 PolarHBondContact O-N 2.81Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	97.9	Very high	97.5	Very high	24 Å²	24	33.3 Å²	33.3	25%	0.247	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.7	29.2	167.4	0	0	0	0	0	114.1	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.29Å; G231-F265 PolarHBondContact N-O 2.83Å
232	F	98.1	Very high	97.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	155.4	-179.6	59.8	-88.9	0	0	0	112.8	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.44Å; D207-F232 WeakPolarHBondContact O-CB 3.48Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.13Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.42Å; L230-F232 VanDerWaalsContact C-N 3.35Å; L230-F232 PolarHBondContact O-N 2.81Å; F232-P234 VanDerWaalsContact CD2-O 3.3Å; F232-P234 WeakPolarHBondContact CD2-O 3.17Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.26Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.49Å; F232-I237 HydrophobicContact CE2-CB 3.72Å; F232-I237 HydrophobicContact CE2-CD1 3.85Å; F232-I237 HydrophobicContact CE2-CG1 4.36Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.79Å; F232-I237 HydrophobicContact CZ-CG2 3.56Å; F232-T257 HydrophobicContact CE2-CG2 4.18Å; F232-T257 HydrophobicContact CZ-CG2 4.02Å; F232-T264 CarbonylContact O-C 3.54Å; F232-T264 WeakPolarHBondContact O-CA 3.1Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.37Å; F232-F265 HydrophobicContact CD2-CB 3.99Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.41Å; F232-F265 HydrophobicContact CE2-CB 3.51Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.41Å; F232-F265 PolarHBondContact O-N 2.99Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.78Å; F232-H287 AromaticContact CD2-NE2 3.65Å
233	Y	97.1	Very high	97.8	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.016	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-149.4	137	171.9	178.1	-82.5	0	0	0	108.5	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.97Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.21Å; T55-Y233 PolarHBondContact OG1-OH 2.84Å; R205-Y233 WeakPolarHBondContact O-CD1 3.41Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.36Å; D207-Y233 PolarHBondContact N-O 3.17Å; D207-Y233 PolarHBondContact O-N 2.8Å; Y233-R263 HydrophobicContact CD2-CG 3.89Å; Y233-R263 HydrophobicContact CE2-CG 4.07Å; Y233-F265 HydrophobicContact CD2-CE2 4.18Å; Y233-H287 PolarHBondContact O-CE1 3.41Å; Y233-H287 PolarHBondContact O-NE2 3.19Å
234	P	96.4	Very high	97.7	Very high	19 Å²	19	31.9 Å²	31.9	12%	0.123	17%	0.165	C	C	.	.	S	Bend	cis	-71.3	-176.7	2.4	30.1	-36.1	0	0	0	114.2	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.23Å; D54-P234 WeakPolarHBondContact OD2-CB 3.22Å; F232-P234 VanDerWaalsContact CD2-O 3.3Å; F232-P234 WeakPolarHBondContact CD2-O 3.17Å; P234-E236 VanDerWaalsContact C-N 3.35Å; P234-H287 PolarHBondContact O-NE2 3.06Å
235	A	97.3	Very high	97.5	Very high	16 Å²	16	33.1 Å²	33.1	13%	0.132	18%	0.183	C	C	.	.	S	Bend	trans	-72.5	-27.2	-176.9	0	0	0	0	0	113.5	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.35Å; D54-A235 WeakPolarHBondContact OD2-CB 3.39Å; D54-A235 PolarHBondContact OD2-N 3.14Å; A235-I237 PolarHBondContact O-N 2.97Å; A235-T257 HydrophobicContact CB-CG2 4.36Å; A235-T257 WeakPolarHBondContact O-CG2 3.33Å; A235-F265 HydrophobicContact CB-CD1 3.76Å; A235-F265 HydrophobicContact CB-CD2 3.73Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.66Å; A235-F265 HydrophobicContact CB-CG 3.8Å; A235-F265 HydrophobicContact CB-CZ 3.64Å
236	E	96.6	Very high	97.4	Very high	116 Å²	116	40 Å²	40	54%	0.542	22%	0.215	S	C	.	.			trans	-63.4	123	179.8	-169	63	-150.8	0	0	109.5	W23 P234 H287	W23-E236 HydrophobicContact CE3-CB 4.5Å; W23-E236 HydrophobicContact CE3-CG 4.35Å; W23-E236 HydrophobicContact CH2-CB 3.91Å; W23-E236 HydrophobicContact CH2-CG 3.29Å; W23-E236 WeakPolarHBondContact CH2-O 3.37Å; W23-E236 HydrophobicContact CZ2-CB 4.42Å; W23-E236 HydrophobicContact CZ2-CG 3.4Å; W23-E236 HydrophobicContact CZ3-CB 3.9Å; W23-E236 HydrophobicContact CZ3-CG 3.76Å; W23-E236 WeakPolarHBondContact CZ3-O 3.47Å; P234-E236 VanDerWaalsContact C-N 3.35Å; E236-H287 PolarHBondContact O-CD2 3.33Å; E236-H287 VanDerWaalsContact O-CD2 3.29Å
237	I	97.4	Very high	97.2	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.051	23%	0.23	C	C	.	.			trans	-157.2	143.1	-178.7	-164.6	170.8	0	0	0	109.3	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.07Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.26Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.49Å; F232-I237 HydrophobicContact CE2-CB 3.72Å; F232-I237 HydrophobicContact CE2-CD1 3.85Å; F232-I237 HydrophobicContact CE2-CG1 4.36Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.79Å; F232-I237 HydrophobicContact CZ-CG2 3.56Å; A235-I237 PolarHBondContact O-N 2.97Å; I237-L239 HydrophobicContact CB-CD1 4.44Å; I237-L239 HydrophobicContact CD1-CD1 3.62Å; I237-L239 HydrophobicContact CG1-CD1 3.61Å; I237-L239 HydrophobicContact CG2-CD1 4.07Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; I237-V285 HydrophobicContact CD1-CG1 4.02Å; I237-V285 HydrophobicContact CG1-CG1 4.35Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.46Å; I237-H287 HydrophobicContact CD1-CB 4.37Å; I237-H287 HydrophobicContact CG1-CB 4.11Å
238	T	97.8	Very high	97.1	Very high	50 Å²	50	43.4 Å²	43.4	31%	0.307	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.1	174	-60.7	0	0	0	0	110.3	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T238-V285 WeakPolarHBondContact O-CA 3.41Å; T238-Q286 PolarHBondContact N-O 3.11Å; T238-Q286 PolarHBondContact O-N 3.01Å
239	L	97.9	Very high	96.7	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.4	173.2	-86.6	63.9	0	0	0	108.6	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.13Å; I237-L239 HydrophobicContact CB-CD1 4.44Å; I237-L239 HydrophobicContact CD1-CD1 3.62Å; I237-L239 HydrophobicContact CG1-CD1 3.61Å; I237-L239 HydrophobicContact CG2-CD1 4.07Å; L239-L254 HydrophobicContact CB-CD1 4.19Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.45Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.35Å; L239-H284 WeakPolarHBondContact CA-O 3.39Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.34Å
240	T	97.8	Very high	96.2	Very high	40 Å²	40	55.4 Å²	55.4	25%	0.245	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149	175.9	60.1	0	0	0	0	111.6	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.05Å; T240-C283 CarbonylContact O-C 3.53Å; T240-C283 WeakPolarHBondContact O-CA 3.34Å; T240-H284 PolarHBondContact N-O 3.05Å; T240-H284 PolarHBondContact O-N 3.38Å
241	W	98.3	Very high	95.8	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138	168.5	-81.9	103.4	0	0	0	110.2	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.84Å; V213-W241 HydrophobicContact CG1-CZ2 4.27Å; V213-W241 HydrophobicContact CG2-CH2 4.25Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.41Å; W241-A269 PolarHBondContact NE1-O 3.4Å; W241-V271 HydrophobicContact CB-CG1 3.68Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4.03Å; W241-V271 HydrophobicContact CG-CB 4.38Å; W241-V271 HydrophobicContact CG-CG1 3.62Å; W241-V271 HydrophobicContact CG-CG2 3.83Å; W241-V271 HydrophobicContact CZ2-CG2 4.3Å; W241-T282 WeakPolarHBondContact CA-O 3.45Å; W241-C283 HydrophobicContact CD2-CB 4.12Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.02Å; W241-C283 HydrophobicContact CZ3-CB 4Å
242	Q	98.1	Very high	95.7	Very high	41 Å²	41	58.4 Å²	58.4	19%	0.192	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146.1	170.9	-70.2	-174	-6.6	0	0	110.2	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.06Å; Q242-D247 PolarHBondContact NE2-OD1 2.77Å; Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.18Å; Q242-T282 PolarHBondContact N-O 3.47Å; Q242-T282 PolarHBondContact O-N 2.94Å; Q242-H284 PolarHBondContact OE1-NE2 2.89Å
243	R	97.6	Very high	95.6	Very high	66 Å²	66	63.9 Å²	63.9	25%	0.249	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.8	169.5	-179.4	-171.8	176.5	154.1	4.6	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.38Å; R243-E246 PolarHBondContact N-O 2.98Å; R243-E246 PolarHBondContact O-N 3.01Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; R243-E277 IonicContact CZ-OE2 3.12Å; R243-E277 IonicContact NH1-OE2 2.81Å; R243-E277 IonicContact NH2-OE1 3.63Å; R243-E277 PolarHBondContact NH2-OE1 3.06Å; R243-E277 IonicContact NH2-OE2 2.63Å; R243-E277 PolarHBondContact NH2-OE2 3.42Å; R243-R280 WeakPolarHBondContact CA-O 3.32Å; R243-R280 HydrophobicContact CG-CB 4.48Å; R243-Y281 HydrophobicContact CB-CD1 4.09Å; R243-Y281 HydrophobicContact CB-CE1 3.88Å; R243-Y281 HydrophobicContact CG-CE1 4.13Å; R243-Y281 HydrophobicContact CG-CE2 4.12Å; R243-Y281 PolarHBondContact NH1-OH 3.33Å
244	D	95.7	Very high	95.7	Very high	101 Å²	101	67.9 Å²	67.9	54%	0.54	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	28.2	-175.7	-54.4	-51.3	0	0	0	114	R280	D244-R280 PolarHBondContact N-O 2.84Å; D244-R280 WeakPolarHBondContact OD1-CB 3.15Å; D244-R280 IonicContact OD1-NE 3.82Å; D244-R280 PolarHBondContact OD1-NE 2.87Å; D244-R280 IonicContact OD2-CZ 2.81Å; D244-R280 IonicContact OD2-NE 3.57Å; D244-R280 PolarHBondContact OD2-NE 3.3Å; D244-R280 IonicContact OD2-NH2 3.47Å; D244-R280 PolarHBondContact OD2-NH2 3.17Å
245	G	92	Very high	95.7	Very high	48 Å²	48	68.6 Å²	68.6	50%	0.495	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-1	-177.4	0	0	0	0	0	115.7	R243	R243-G245 PolarHBondContact O-N 3.38Å
246	E	95.9	Very high	95.7	Very high	144 Å²	144	75.8 Å²	75.8	67%	0.673	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.1	176.2	-62.8	-171.4	167.9	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; R243-E246 PolarHBondContact N-O 2.98Å; R243-E246 PolarHBondContact O-N 3.01Å; E246-Q248 PolarHBondContact O-NE2 3.14Å
247	D	95.4	Very high	95.8	Very high	97 Å²	97	72.1 Å²	72.1	52%	0.519	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	135.3	-179.1	-69	-30.1	0	0	0	112.3	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.06Å; Q242-D247 PolarHBondContact NE2-OD1 2.77Å
248	Q	95.3	Very high	95.8	Very high	27 Å²	27	76.3 Å²	76.3	13%	0.126	40%	0.395	C	S	.	.			trans	-105.8	34.3	-177.1	-58.6	-61.7	-71.1	0	0	112.3	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.41Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; E246-Q248 PolarHBondContact O-NE2 3.14Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.96Å; Q248-D251 PolarHBondContact O-N 3.45Å; Q248-D251 VanDerWaalsContact O-N 3.15Å; Q248-T252 WeakPolarHBondContact O-CB 3.04Å; Q248-T252 PolarHBondContact O-N 2.92Å; Q248-T252 PolarHBondContact O-OG1 3.3Å; Q248-V271 HydrophobicContact CB-CG1 4.41Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å
249	T	90.1	Very high	95.8	Very high	107 Å²	107	78.3 Å²	78.3	66%	0.656	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-36.4	-168.5	-49.3	0	0	0	0	114.1
250	Q	90.1	Very high	95.7	Very high	193 Å²	193	80.4 Å²	80.4	90%	0.902	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-31.3	-178.9	-66.7	-173.9	-1.3	0	0	113	Q248	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.96Å
251	D	88.7	Confident	95.5	Very high	115 Å²	115	82.2 Å²	82.2	62%	0.615	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	0.8	-178	-56.2	-53.9	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 3.45Å; Q248-D251 VanDerWaalsContact O-N 3.15Å
252	T	95.8	Very high	95.2	Very high	24 Å²	24	87.3 Å²	87.3	15%	0.147	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.1	179.6	-62.1	0	0	0	0	110.7	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.04Å; Q248-T252 PolarHBondContact O-N 2.92Å; Q248-T252 PolarHBondContact O-OG1 3.3Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 3.36Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 WeakPolarHBondContact CA-O 3.48Å; T252-V271 HydrophobicContact CG2-CG1 4.38Å; T252-V271 VanDerWaalsContact OG1-CG1 3.28Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.04Å
253	E	97.4	Very high	95	Very high	115 Å²	115	88.3 Å²	88.3	54%	0.537	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	108.1	163.3	-173.6	-174	-172.4	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.3Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.27Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.36Å; E253-A270 HydrophobicContact CB-CB 4.44Å; E253-A270 PolarHBondContact N-O 2.67Å; E253-A270 PolarHBondContact O-N 3.33Å
254	L	97.4	Very high	95	Very high	89 Å²	89	86 Å²	86	47%	0.466	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121	178.6	-173.9	68.6	0	0	0	110	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.19Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 3.36Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
255	V	97.3	Very high	95.1	Very high	34 Å²	34	82.4 Å²	82.4	21%	0.206	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-84.9	151.6	175.7	-65.1	0	0	0	0	112.5	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.41Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.16Å; V255-K267 WeakPolarHBondContact O-CG 3.49Å; V255-K267 PolarHBondContact O-NZ 2.88Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.77Å; V255-W268 HydrophobicContact CG2-CG 3.75Å; V255-W268 HydrophobicContact CG2-CZ2 4.41Å; V255-W268 WeakPolarHBondContact CG2-O 3.38Å; V255-W268 PolarHBondContact N-O 3.05Å
256	E	97.2	Very high	95.4	Very high	166 Å²	166	82.2 Å²	82.2	78%	0.776	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-50.1	142.9	164.2	-74.5	-75.7	169.6	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 3.13Å
257	T	98.1	Very high	95.5	Very high	39 Å²	39	76.3 Å²	76.3	24%	0.239	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-67.7	130.1	173.7	-57.9	0	0	0	0	108.3	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.18Å; F232-T257 HydrophobicContact CZ-CG2 4.02Å; A235-T257 HydrophobicContact CB-CG2 4.36Å; A235-T257 WeakPolarHBondContact O-CG2 3.33Å; T257-F265 HydrophobicContact CG2-CB 3.83Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.14Å; T257-K267 WeakPolarHBondContact OG1-CD 3.41Å; T257-K267 PolarHBondContact OG1-NZ 2.96Å; T257-K267 VanDerWaalsContact OG1-NZ 3.08Å
258	R	97.6	Very high	95.7	Very high	99 Å²	99	73 Å²	73	37%	0.374	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.3	-174.7	68.5	-169.8	-177.9	-171.5	3	111.9	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.13Å; R258-F265 WeakPolarHBondContact O-CA 3.44Å; R258-Q266 HydrophobicContact CG-CG 3.53Å; R258-Q266 PolarHBondContact N-O 2.73Å; R258-Q266 WeakPolarHBondContact O-CG 3.48Å; R258-Q266 PolarHBondContact O-N 2.99Å
259	P	97.4	Very high	95.8	Very high	92 Å²	92	71.7 Å²	71.7	60%	0.597	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	145.1	178.7	28.9	-34.7	0	0	0	111.2	F265	P259-F265 HydrophobicContact CB-CD1 4.47Å; P259-F265 HydrophobicContact CB-CE1 4.25Å
260	A	96.8	Very high	96.2	Very high	50 Å²	50	66.7 Å²	66.7	41%	0.413	36%	0.358	S	S	.	.			trans	-89	-16.1	172.4	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.24Å; A260-T264 WeakPolarHBondContact CB-O 3.42Å; A260-T264 WeakPolarHBondContact CB-OG1 3.38Å; A260-T264 PolarHBondContact N-O 3.03Å
261	G	93.3	Very high	96.6	Very high	77 Å²	77	57.7 Å²	57.7	79%	0.794	32%	0.316	S	S	*	.	S	Bend	trans	96	-5.5	179.3	0	0	0	0	0	114.6
262	D	93.1	Very high	97	Very high	110 Å²	110	55.8 Å²	55.8	59%	0.588	31%	0.309	S	S	*	.	S	Bend	trans	-115.5	31.7	-179.5	64.6	-4.7	0	0	0	111.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.24Å; D262-T264 PolarHBondContact O-N 2.9Å; D262-T264 WeakPolarHBondContact OD1-CB 3.42Å; D262-T264 PolarHBondContact OD1-N 3.41Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.83Å
263	R	92.6	Very high	97.1	Very high	62 Å²	62	54.7 Å²	54.7	23%	0.234	30%	0.302	C	S	.	.	S	Bend	trans	74.4	-20.7	-169.6	-177.5	-176.4	167.6	-139.2	-15.6	115.1	T202 Y233 F265	T202-R263 VanDerWaalsContact CA-NH1 3.3Å; T202-R263 PolarHBondContact O-NH1 2.7Å; T202-R263 PolarHBondContact O-NH2 3.3Å; Y233-R263 HydrophobicContact CD2-CG 3.89Å; Y233-R263 HydrophobicContact CE2-CG 4.07Å; R263-F265 WeakPolarHBondContact O-CE2 3.4Å
264	T	97.2	Very high	97.1	Very high	18 Å²	18	51.5 Å²	51.5	11%	0.11	29%	0.291	C	S	.	.			trans	-86.1	168.6	-178.7	75.4	0	0	0	0	113	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.29Å; F232-T264 CarbonylContact O-C 3.54Å; F232-T264 WeakPolarHBondContact O-CA 3.1Å; A260-T264 WeakPolarHBondContact CB-O 3.42Å; A260-T264 WeakPolarHBondContact CB-OG1 3.38Å; A260-T264 PolarHBondContact N-O 3.03Å; D262-T264 PolarHBondContact O-N 2.9Å; D262-T264 WeakPolarHBondContact OD1-CB 3.42Å; D262-T264 PolarHBondContact OD1-N 3.41Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.83Å
265	F	98.5	Very high	96.9	Very high	25 Å²	25	50 Å²	50	11%	0.11	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	164.1	180	-64.9	-88.7	0	0	0	111.8	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.76Å; G231-F265 PolarHBondContact N-O 2.83Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.37Å; F232-F265 HydrophobicContact CD2-CB 3.99Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.41Å; F232-F265 HydrophobicContact CE2-CB 3.51Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.41Å; F232-F265 PolarHBondContact O-N 2.99Å; Y233-F265 HydrophobicContact CD2-CE2 4.18Å; A235-F265 HydrophobicContact CB-CD1 3.76Å; A235-F265 HydrophobicContact CB-CD2 3.73Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.66Å; A235-F265 HydrophobicContact CB-CG 3.8Å; A235-F265 HydrophobicContact CB-CZ 3.64Å; T257-F265 HydrophobicContact CG2-CB 3.83Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.14Å; R258-F265 WeakPolarHBondContact O-CA 3.44Å; P259-F265 HydrophobicContact CB-CD1 4.47Å; P259-F265 HydrophobicContact CB-CE1 4.25Å; R263-F265 WeakPolarHBondContact O-CE2 3.4Å
266	Q	98.4	Very high	96.6	Very high	43 Å²	43	51.5 Å²	51.5	20%	0.201	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145.5	174.2	47.2	170.7	-28.6	0	0	109.8	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.14Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.53Å; R258-Q266 PolarHBondContact N-O 2.73Å; R258-Q266 WeakPolarHBondContact O-CG 3.48Å; R258-Q266 PolarHBondContact O-N 2.99Å
267	K	98.6	Very high	96.6	Very high	21 Å²	21	46 Å²	46	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.1	176.9	-162	-177	-171	70.1	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.25Å; A229-K267 PolarHBondContact O-N 3.24Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.45Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; V255-K267 HydrophobicContact CG2-CG 4.41Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.16Å; V255-K267 WeakPolarHBondContact O-CG 3.49Å; V255-K267 PolarHBondContact O-NZ 2.88Å; T257-K267 WeakPolarHBondContact OG1-CD 3.41Å; T257-K267 PolarHBondContact OG1-NZ 2.96Å; T257-K267 VanDerWaalsContact OG1-NZ 3.08Å
268	W	98.4	Very high	96.4	Very high	26 Å²	26	45.2 Å²	45.2	10%	0.098	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	156.3	169.5	59.4	-98.8	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.91Å; R226-W268 HydrophobicContact CG-CG 4.22Å; C227-W268 CarbonylContact O-C 3.48Å; C227-W268 WeakPolarHBondContact O-CA 3.39Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.21Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.6Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ2-CG 4.5Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å; E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.3Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.27Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.77Å; V255-W268 HydrophobicContact CG2-CG 3.75Å; V255-W268 HydrophobicContact CG2-CZ2 4.41Å; V255-W268 WeakPolarHBondContact CG2-O 3.38Å; V255-W268 PolarHBondContact N-O 3.05Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
269	A	98.4	Very high	96.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.4	174	0	0	0	0	0	108.5	C227 L239 W241 T252 E253 L254	C227-A269 PolarHBondContact N-O 2.98Å; C227-A269 PolarHBondContact O-N 2.69Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.35Å; W241-A269 PolarHBondContact NE1-O 3.4Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.36Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
270	A	98.3	Very high	96.3	Very high	3 Å²	3	44.6 Å²	44.6	3%	0.025	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146	-179.6	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.84Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.5Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.16Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 WeakPolarHBondContact CA-O 3.48Å; E253-A270 HydrophobicContact CB-CB 4.44Å; E253-A270 PolarHBondContact N-O 2.67Å; E253-A270 PolarHBondContact O-N 3.33Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
271	V	98.1	Very high	96.3	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.8	174.1	-73.1	0	0	0	0	109.3	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.23Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 2.78Å; L225-V271 PolarHBondContact O-N 3.17Å; W241-V271 HydrophobicContact CB-CG1 3.68Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4.03Å; W241-V271 HydrophobicContact CG-CB 4.38Å; W241-V271 HydrophobicContact CG-CG1 3.62Å; W241-V271 HydrophobicContact CG-CG2 3.83Å; W241-V271 HydrophobicContact CZ2-CG2 4.3Å; Q248-V271 HydrophobicContact CB-CG1 4.41Å; T252-V271 HydrophobicContact CG2-CG1 4.38Å; T252-V271 VanDerWaalsContact OG1-CG1 3.28Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.04Å; V271-V273 HydrophobicContact CB-CG1 4.4Å; V271-V273 HydrophobicContact CG2-CG1 3.78Å; V271-Y281 HydrophobicContact CG2-CD1 4.05Å; V271-Y281 HydrophobicContact CG2-CE1 4.45Å
272	V	97.8	Very high	96.6	Very high	75 Å²	75	39.6 Å²	39.6	46%	0.455	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129	167.9	-179.3	0	0	0	0	107.8	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 4.01Å; I218-V272 HydrophobicContact CD1-CG2 4.08Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; A223-V272 WeakPolarHBondContact O-CA 3.34Å
273	V	96.9	Very high	96.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.5	-176.3	-52.1	0	0	0	0	110.1	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.05Å; A223-V273 PolarHBondContact N-O 3.44Å; A223-V273 PolarHBondContact O-N 2.74Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.16Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CB-CG1 4.4Å; V271-V273 HydrophobicContact CG2-CG1 3.78Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.8	Very high	97.1	Very high	49 Å²	49	33.1 Å²	33.1	32%	0.318	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	141.5	171.1	-22	34.7	0	0	0	111.6	H221 G276 E277	H221-P274 CarbonylContact O-C 3.57Å; H221-P274 WeakPolarHBondContact O-CA 3.36Å; P274-G276 PolarHBondContact O-N 2.99Å; P274-E277 HydrophobicContact CB-CB 4.36Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 WeakPolarHBondContact CG-OE2 3.34Å; P274-E277 WeakPolarHBondContact O-CB 3.26Å; P274-E277 PolarHBondContact O-N 3Å
275	S	93.3	Very high	97.1	Very high	57 Å²	57	32.2 Å²	32.2	40%	0.399	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	126.9	175.3	-63.6	0	0	0	0	110.9	D220 H221 E222	D220-S275 PolarHBondContact O-OG 3.27Å; H221-S275 PolarHBondContact O-N 2.84Å; H221-S275 PolarHBondContact O-OG 3.26Å; E222-S275 PolarHBondContact N-OG 2.04Å
276	G	92.2	Very high	97.1	Very high	65 Å²	65	34.2 Å²	34.2	67%	0.67	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	-6.3	-178.7	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 2.99Å; G276-E278 WeakPolarHBondContact CA-OE2 3.28Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.08Å; G276-E278 PolarHBondContact N-OE2 3.38Å
277	E	95.9	Very high	97	Very high	52 Å²	52	32.7 Å²	32.7	24%	0.243	18%	0.182	C	C	.	.			trans	-98.9	2.7	175.3	-62.3	-160.9	148.3	0	0	113.4	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.12Å; R243-E277 IonicContact NH1-OE2 2.81Å; R243-E277 IonicContact NH2-OE1 3.63Å; R243-E277 PolarHBondContact NH2-OE1 3.06Å; R243-E277 IonicContact NH2-OE2 2.63Å; R243-E277 PolarHBondContact NH2-OE2 3.42Å; P274-E277 HydrophobicContact CB-CB 4.36Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 WeakPolarHBondContact CG-OE2 3.34Å; P274-E277 WeakPolarHBondContact O-CB 3.26Å; P274-E277 PolarHBondContact O-N 3Å; E277-Q279 PolarHBondContact O-N 3.3Å; E277-R280 VanDerWaalsContact O-CB 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.43Å; E277-R280 PolarHBondContact O-N 3.37Å; E277-R280 IonicContact OE1-NH1 3.38Å; E277-R280 PolarHBondContact OE1-NH1 3.16Å; E277-R280 IonicContact OE2-NH1 3.42Å; E277-Y281 HydrophobicContact CB-CE2 4.37Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å
278	E	95.4	Very high	96.8	Very high	21 Å²	21	35.2 Å²	35.2	10%	0.098	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-57	-33.6	-170.6	-56.6	81.8	-180	0	0	112.7	L225 V273 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; G276-E278 WeakPolarHBondContact CA-OE2 3.28Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.08Å; G276-E278 PolarHBondContact N-OE2 3.38Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 3.11Å; E278-Y281 PolarHBondContact O-N 2.87Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.83Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.74Å
279	Q	95.4	Very high	96.6	Very high	87 Å²	87	35 Å²	35	41%	0.407	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-72.8	-14.7	-179.4	-63.5	-56.8	-46.5	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.3Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 3.45Å
280	R	97	Very high	96.5	Very high	92 Å²	92	36.2 Å²	36.2	35%	0.347	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-77.5	-16.5	172.8	-63.3	172.4	64.9	-178.2	1.9	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.32Å; R243-R280 HydrophobicContact CG-CB 4.48Å; D244-R280 PolarHBondContact N-O 2.84Å; D244-R280 WeakPolarHBondContact OD1-CB 3.15Å; D244-R280 IonicContact OD1-NE 3.82Å; D244-R280 PolarHBondContact OD1-NE 2.87Å; D244-R280 IonicContact OD2-CZ 2.81Å; D244-R280 IonicContact OD2-NE 3.57Å; D244-R280 PolarHBondContact OD2-NE 3.3Å; D244-R280 IonicContact OD2-NH2 3.47Å; D244-R280 PolarHBondContact OD2-NH2 3.17Å; E277-R280 VanDerWaalsContact O-CB 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.43Å; E277-R280 PolarHBondContact O-N 3.37Å; E277-R280 IonicContact OE1-NH1 3.38Å; E277-R280 PolarHBondContact OE1-NH1 3.16Å; E277-R280 IonicContact OE2-NH1 3.42Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 3.11Å
281	Y	97.8	Very high	96.2	Very high	9 Å²	9	42.3 Å²	42.3	4%	0.035	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.5	-178	-69.4	-100	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.18Å; R243-Y281 HydrophobicContact CB-CD1 4.09Å; R243-Y281 HydrophobicContact CB-CE1 3.88Å; R243-Y281 HydrophobicContact CG-CE1 4.13Å; R243-Y281 HydrophobicContact CG-CE2 4.12Å; R243-Y281 PolarHBondContact NH1-OH 3.33Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å; V271-Y281 HydrophobicContact CG2-CD1 4.05Å; V271-Y281 HydrophobicContact CG2-CE1 4.45Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.37Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å; E278-Y281 PolarHBondContact O-N 2.87Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	98.1	Very high	96	Very high	12 Å²	12	49.9 Å²	49.9	7%	0.074	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132	175.7	46.9	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.45Å; Q242-T282 PolarHBondContact N-O 3.47Å; Q242-T282 PolarHBondContact O-N 2.94Å; T282-H284 PolarHBondContact O-CD2 3.48Å; T282-H284 PolarHBondContact OG1-NE2 3.19Å; T282-T295 HydrophobicContact CG2-CG2 3.94Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 WeakPolarHBondContact CA-O 3.33Å; T282-R297 HydrophobicContact CG2-CG 3.61Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å
283	C	98.3	Very high	96	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.9	169.3	173.9	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3Å; T240-C283 CarbonylContact O-C 3.53Å; T240-C283 WeakPolarHBondContact O-CA 3.34Å; W241-C283 HydrophobicContact CD2-CB 4.12Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.02Å; W241-C283 HydrophobicContact CZ3-CB 4Å; C283-T295 CarbonylContact O-C 3.56Å; C283-T295 WeakPolarHBondContact O-CA 3.28Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.05Å; C283-L296 PolarHBondContact O-N 3.33Å
284	H	98.1	Very high	96	Very high	36 Å²	36	52.4 Å²	52.4	17%	0.167	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.4	176.3	-62.3	-104.4	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.39Å; T240-H284 PolarHBondContact N-O 3.05Å; T240-H284 PolarHBondContact O-N 3.38Å; Q242-H284 PolarHBondContact OE1-NE2 2.89Å; T282-H284 PolarHBondContact O-CD2 3.48Å; T282-H284 PolarHBondContact OG1-NE2 3.19Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; H284-T295 PolarHBondContact ND1-OG1 3.4Å
285	V	98.3	Very high	96	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.9	-178.5	-173.9	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.15Å; T211-V285 HydrophobicContact CG2-CG2 4.05Å; I237-V285 HydrophobicContact CD1-CG1 4.02Å; I237-V285 HydrophobicContact CG1-CG1 4.35Å; T238-V285 WeakPolarHBondContact O-CA 3.41Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.34Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; V285-P293 WeakPolarHBondContact O-CA 3.23Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 2.9Å; V285-L294 PolarHBondContact O-N 3.23Å; V285-L296 HydrophobicContact CG2-CD1 3.99Å
286	Q	97.8	Very high	96.2	Very high	67 Å²	67	53.1 Å²	53.1	31%	0.313	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.3	174.4	-52.4	-176.9	13.3	0	0	109.7	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.46Å; T238-Q286 PolarHBondContact N-O 3.11Å; T238-Q286 PolarHBondContact O-N 3.01Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
287	H	96.7	Very high	96.4	Very high	11 Å²	11	56.9 Å²	56.9	5%	0.051	29%	0.286	C	S	.	.			trans	-161	145.3	-177.6	-177.2	-96	0	0	0	109	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.91Å; P209-H287 HydrophobicContact CG-CB 4.17Å; F232-H287 AromaticContact CD2-CD2 3.78Å; F232-H287 AromaticContact CD2-NE2 3.65Å; Y233-H287 PolarHBondContact O-CE1 3.41Å; Y233-H287 PolarHBondContact O-NE2 3.19Å; P234-H287 PolarHBondContact O-NE2 3.06Å; E236-H287 PolarHBondContact O-CD2 3.33Å; E236-H287 VanDerWaalsContact O-CD2 3.29Å; I237-H287 HydrophobicContact CD1-CB 4.37Å; I237-H287 HydrophobicContact CG1-CB 4.11Å; H287-G289 VanDerWaalsContact C-N 3.27Å; H287-G289 PolarHBondContact ND1-N 3.44Å; H287-G289 PolarHBondContact O-N 3.48Å; H287-L290 HydrophobicContact CB-CD1 4Å; H287-L290 HydrophobicContact CB-CG 4.19Å; H287-L290 WeakPolarHBondContact O-CB 3.34Å; H287-L290 PolarHBondContact O-N 2.97Å
288	E	94.1	Very high	96.4	Very high	74 Å²	74	56.6 Å²	56.6	35%	0.346	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-39.5	-179.3	-169.9	179.6	163.6	0	0	113.4	W23 A206 L290	W23-E288 HydrophobicContact CB-CB 4.35Å; W23-E288 HydrophobicContact CB-CG 4.27Å; W23-E288 HydrophobicContact CE3-CB 3.9Å; A206-E288 HydrophobicContact CB-CB 4.49Å; E288-L290 PolarHBondContact O-N 3.47Å; E288-L290 VanDerWaalsContact O-N 3.1Å
289	G	94.3	Very high	96.1	Very high	21 Å²	21	63.5 Å²	63.5	22%	0.216	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.3	177.3	0	0	0	0	0	114.3	H287	H287-G289 VanDerWaalsContact C-N 3.27Å; H287-G289 PolarHBondContact ND1-N 3.44Å; H287-G289 PolarHBondContact O-N 3.48Å
290	L	95.7	Very high	95.5	Very high	25 Å²	25	63.1 Å²	63.1	13%	0.131	32%	0.32	C	S	.	.			trans	-98	124.5	176.5	-64.6	171.1	0	0	0	110.3	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.9Å; P208-L290 HydrophobicContact CB-CG 4.49Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.2Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; H287-L290 HydrophobicContact CB-CD1 4Å; H287-L290 HydrophobicContact CB-CG 4.19Å; H287-L290 WeakPolarHBondContact O-CB 3.34Å; H287-L290 PolarHBondContact O-N 2.97Å; E288-L290 PolarHBondContact O-N 3.47Å; E288-L290 VanDerWaalsContact O-N 3.1Å; L290-K292 WeakPolarHBondContact CB-O 3.39Å; L290-K292 PolarHBondContact O-N 2.89Å; L290-L294 HydrophobicContact CD1-CD1 3.95Å; L290-L294 HydrophobicContact CD1-CG 3.87Å; L290-L294 HydrophobicContact CD2-CD1 3.72Å; L290-L294 HydrophobicContact CD2-CG 3.99Å
291	P	93.6	Very high	93.8	Very high	132 Å²	132	63.7 Å²	63.7	86%	0.857	34%	0.338	S	S	*	.	S	Bend	trans	-66.5	-22.9	178.1	27.6	-35.1	0	0	0	112.7
292	K	93.9	Very high	91.4	Very high	162 Å²	162	68.7 Å²	68.7	70%	0.704	37%	0.374	S	S	*	.	S	Bend	trans	-146.3	149.5	173.2	-63.8	-175.7	-177.1	178.2	0	109	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.39Å; L290-K292 PolarHBondContact O-N 2.89Å; K292-L294 PolarHBondContact O-N 2.85Å
293	P	96	Very high	88.9	Confident	70 Å²	70	76.1 Å²	76.1	46%	0.455	41%	0.408	S	S	.	.			trans	-51.7	139.5	171.3	-28.2	36.5	0	0	0	112.2	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.23Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
294	L	97.1	Very high	86.2	Confident	59 Å²	59	80.4 Å²	80.4	31%	0.309	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	146.6	173.3	-62.8	177.5	0	0	0	110.1	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.3Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 2.9Å; V285-L294 PolarHBondContact O-N 3.23Å; L290-L294 HydrophobicContact CD1-CD1 3.95Å; L290-L294 HydrophobicContact CD1-CG 3.87Å; L290-L294 HydrophobicContact CD2-CD1 3.72Å; L290-L294 HydrophobicContact CD2-CG 3.99Å; K292-L294 PolarHBondContact O-N 2.85Å
295	T	97.9	Very high	83.7	Confident	84 Å²	84	84.9 Å²	84.9	52%	0.515	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.3	170.7	-56.6	0	0	0	0	107.9	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.94Å; C283-T295 CarbonylContact O-C 3.56Å; C283-T295 WeakPolarHBondContact O-CA 3.28Å; H284-T295 PolarHBondContact ND1-OG1 3.4Å
296	L	97.1	Very high	81.4	Confident	36 Å²	36	89.5 Å²	89.5	19%	0.188	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.2	-173.1	-60.4	155.4	0	0	0	109.2	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.43Å; T211-L296 HydrophobicContact CG2-CD1 4.17Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.39Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 WeakPolarHBondContact CA-O 3.33Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.05Å; C283-L296 PolarHBondContact O-N 3.33Å; V285-L296 HydrophobicContact CG2-CD1 3.99Å
297	R	96.2	Very high	79.4	Confident	145 Å²	145	90.3 Å²	90.3	55%	0.547	50%	0.503	S	S	.	.			trans	-116.8	161.3	166.6	-70.1	-174.9	177.5	169.7	-2.4	108.8	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.61Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å; R297-E299 PolarHBondContact O-N 3.45Å
298	W	95.9	Very high	77.6	Confident	45 Å²	45	95.6 Å²	95.6	17%	0.17	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-67.6	120.9	166.2	171.2	56.7	0	0	0	109.5	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.83Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.97Å; L225-W298 HydrophobicContact CD1-CB 4.39Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.36Å; L225-W298 HydrophobicContact CD2-CG 3.95Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.83Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.74Å; Q279-W298 PolarHBondContact NE2-O 3.45Å; W298-P300 HydrophobicContact CE3-CG 4.38Å; W298-P300 HydrophobicContact CH2-CB 4.25Å; W298-P300 HydrophobicContact CH2-CG 3.91Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 4.09Å
299	E	89.5	Confident	76.1	Confident	166 Å²	166	97.9 Å²	97.9	78%	0.776	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-98.6	118.8	167.7	-71.8	-179.3	175.4	0	0	108	R297 S301	R297-E299 PolarHBondContact O-N 3.45Å; E299-S301 PolarHBondContact O-N 3.39Å; E299-S301 VanDerWaalsContact O-N 3.11Å
300	P	81.7	Confident	74.8	Confident	79 Å²	79	99 Å²	99	51%	0.513	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-55	122.5	169.5	-19.9	30.6	0	0	0	107.4	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.38Å; W298-P300 HydrophobicContact CH2-CB 4.25Å; W298-P300 HydrophobicContact CH2-CG 3.91Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 4.09Å; P300-S302 PolarHBondContact O-N 3.25Å
301	S	62.6	Low	73.8	Confident	105 Å²	105	102.5 Å²	102.5	73%	0.734	58%	0.578	S	S	*	*			trans	-51.9	114	-179.7	36	0	0	0	0	108.7	E299 Q303	E299-S301 PolarHBondContact O-N 3.39Å; E299-S301 VanDerWaalsContact O-N 3.11Å; S301-Q303 PolarHBondContact O-N 3.49Å
302	S	47.2	Very low	73	Confident	113 Å²	113	100.5 Å²	100.5	79%	0.79	56%	0.563	S	S	*	*			trans	-67.1	79.4	158.5	64.1	0	0	0	0	105.4	P300 S304	P300-S302 PolarHBondContact O-N 3.25Å; S302-S304 PolarHBondContact O-N 3.1Å
303	Q	45.1	Very low	72.2	Confident	168 Å²	168	95.2 Å²	95.2	79%	0.785	55%	0.55	S	S	*	*			trans	-56.7	93	148	-87.7	-175.9	-14.2	0	0	103.3	S301 T305	S301-Q303 PolarHBondContact O-N 3.49Å; Q303-T305 PolarHBondContact O-N 3.33Å; Q303-T305 PolarHBondContact O-OG1 3.33Å
304	S	41.7	Very low	71.6	Confident	90 Å²	90	93.6 Å²	93.6	63%	0.629	55%	0.546	S	S	*	.			trans	-51.9	100.5	167.5	-179.5	0	0	0	0	103.5	S302 I306	S302-S304 PolarHBondContact O-N 3.1Å; S304-I306 PolarHBondContact O-N 2.96Å; S304-I306 WeakPolarHBondContact OG-CG1 3.4Å
305	T	46.2	Very low	71.1	Confident	130 Å²	130	96 Å²	96	80%	0.798	56%	0.559	S	S	*	*			trans	-68.4	73.7	158.8	-25.1	0	0	0	0	102.7	Q303 P307	Q303-T305 PolarHBondContact O-N 3.33Å; Q303-T305 PolarHBondContact O-OG1 3.33Å; T305-P307 WeakPolarHBondContact O-CD 3.47Å
306	I	49.9	Very low	70.5	Confident	98 Å²	98	94.6 Å²	94.6	50%	0.503	56%	0.556	S	S	.	*			trans	-44.9	121	153.3	-61.1	177.9	0	0	0	102	S304 I308 I311	S304-I306 PolarHBondContact O-N 2.96Å; S304-I306 WeakPolarHBondContact OG-CG1 3.4Å; I306-I308 WeakPolarHBondContact O-CG1 3.49Å; I306-I308 PolarHBondContact O-N 2.8Å; I306-I311 HydrophobicContact CG2-CD1 4.2Å
307	P	55.2	Low	70	Confident	83 Å²	83	97.5 Å²	97.5	54%	0.539	57%	0.574	S	S	.	*			trans	-72.1	79.2	-173.4	29.2	-32.8	0	0	0	106.4	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.47Å; P307-V309 PolarHBondContact O-N 3.23Å; P307-G310 WeakPolarHBondContact O-CA 3.26Å; P307-G310 PolarHBondContact O-N 3.3Å; P307-I311 PolarHBondContact O-N 3.28Å; P307-I311 VanDerWaalsContact O-N 3.1Å
308	I	59.3	Low	69.6	Low	122 Å²	122	95.7 Å²	95.7	63%	0.626	58%	0.575	S	S	*	*	H	α-helix	trans	-55.3	-34.7	174.5	-67.6	166.8	0	0	0	107.4	I306 G310 I311 V312	I306-I308 WeakPolarHBondContact O-CG1 3.49Å; I306-I308 PolarHBondContact O-N 2.8Å; I308-G310 PolarHBondContact O-N 3.5Å; I308-I311 PolarHBondContact O-N 2.99Å; I308-V312 HydrophobicContact CG2-CG2 4.22Å; I308-V312 WeakPolarHBondContact O-CB 3.44Å; I308-V312 WeakPolarHBondContact O-CG2 3.31Å; I308-V312 PolarHBondContact O-N 3.02Å
309	V	61.4	Low	69.1	Low	123 Å²	123	96 Å²	96	75%	0.745	59%	0.587	S	S	*	*	H	α-helix	trans	-58.5	-42.1	170.9	-177.3	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.33Å; V309-A313 PolarHBondContact O-N 3.41Å
310	G	67.1	Low	69	Low	44 Å²	44	93 Å²	93	45%	0.454	58%	0.58	S	S	.	*	H	α-helix	trans	-69.1	-39	179	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.26Å; P307-G310 PolarHBondContact O-N 3.3Å; I308-G310 PolarHBondContact O-N 3.5Å; G310-G314 PolarHBondContact O-N 2.89Å
311	I	74.3	Confident	69.3	Low	98 Å²	98	93.6 Å²	93.6	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-69.3	-43.6	176.1	-61.6	174.9	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.2Å; P307-I311 PolarHBondContact O-N 3.28Å; P307-I311 VanDerWaalsContact O-N 3.1Å; I308-I311 PolarHBondContact O-N 2.99Å; I311-G314 PolarHBondContact O-N 3.34Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.5Å; I311-L315 WeakPolarHBondContact O-CB 3.08Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 3.04Å
312	V	77.2	Confident	70.4	Confident	90 Å²	90	92.5 Å²	92.5	55%	0.545	57%	0.571	S	S	.	*	H	α-helix	trans	-64.9	-43.7	177.7	172.2	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.22Å; I308-V312 WeakPolarHBondContact O-CB 3.44Å; I308-V312 WeakPolarHBondContact O-CG2 3.31Å; I308-V312 PolarHBondContact O-N 3.02Å; V312-L315 PolarHBondContact O-N 3.25Å; V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 3.42Å
313	A	78.3	Confident	72.1	Confident	52 Å²	52	92.3 Å²	92.3	43%	0.43	56%	0.56	S	S	.	*	H	α-helix	trans	-62.8	-43.2	175	0	0	0	0	0	111.7	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.33Å; V309-A313 PolarHBondContact O-N 3.41Å; A313-A316 PolarHBondContact O-N 3.04Å; A313-V317 WeakPolarHBondContact O-CG2 3.38Å; A313-V317 PolarHBondContact O-N 3.21Å
314	G	83.4	Confident	74	Confident	36 Å²	36	86.2 Å²	86.2	37%	0.371	54%	0.542	S	S	.	.	H	α-helix	trans	-60.8	-44.5	176.6	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.89Å; I311-G314 PolarHBondContact O-N 3.34Å; G314-V317 PolarHBondContact O-N 3.45Å; G314-L318 PolarHBondContact O-N 3.33Å
315	L	86.4	Confident	75.9	Confident	110 Å²	110	84.6 Å²	84.6	58%	0.576	53%	0.534	S	S	*	.	H	α-helix	trans	-66.5	-38.5	177.2	-73.2	171.1	0	0	0	112.6	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.5Å; I311-L315 WeakPolarHBondContact O-CB 3.08Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 3.04Å; V312-L315 PolarHBondContact O-N 3.25Å; L315-L318 PolarHBondContact O-N 3.37Å; L315-A319 PolarHBondContact O-N 3.07Å
316	A	84.8	Confident	77.6	Confident	54 Å²	54	82.3 Å²	82.3	45%	0.446	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-43.7	176.6	0	0	0	0	0	111.9	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 3.42Å; A313-A316 PolarHBondContact O-N 3.04Å; A316-A319 PolarHBondContact O-N 2.76Å; A316-V320 WeakPolarHBondContact O-CG2 3.08Å; A316-V320 PolarHBondContact O-N 2.78Å; A316-V320 VanDerWaalsContact O-N 3.12Å
317	V	86.8	Confident	79.1	Confident	96 Å²	96	81.3 Å²	81.3	58%	0.582	52%	0.518	S	S	*	.	H	α-helix	trans	-63.2	-44.2	176.1	174.1	0	0	0	0	110.8	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.38Å; A313-V317 PolarHBondContact O-N 3.21Å; G314-V317 PolarHBondContact O-N 3.45Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.17Å; V317-V320 PolarHBondContact O-N 3.41Å; V317-V321 WeakPolarHBondContact O-CG2 3.34Å; V317-V321 PolarHBondContact O-N 3.45Å
318	L	87.2	Confident	80.1	Confident	108 Å²	108	79.8 Å²	79.8	57%	0.565	51%	0.513	S	S	*	.	H	α-helix	trans	-58.5	-44	176.2	-107.8	154.9	0	0	0	112.2	G314 L315 V320 V321 V322	G314-L318 PolarHBondContact O-N 3.33Å; L315-L318 PolarHBondContact O-N 3.37Å; L318-V320 PolarHBondContact O-N 3.26Å; L318-V321 PolarHBondContact O-N 2.81Å; L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.39Å; L318-V322 PolarHBondContact O-N 2.8Å
319	A	86.2	Confident	80.8	Confident	50 Å²	50	78 Å²	78	41%	0.413	51%	0.507	S	S	.	.	H	α-helix	trans	-61.5	-43	177.4	0	0	0	0	0	112.2	L315 A316 V317 V322 I323	L315-A319 PolarHBondContact O-N 3.07Å; A316-A319 PolarHBondContact O-N 2.76Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.17Å; A319-V322 PolarHBondContact O-N 2.76Å; A319-I323 WeakPolarHBondContact O-CD1 3.39Å; A319-I323 VanDerWaalsContact O-CG1 3.27Å; A319-I323 WeakPolarHBondContact O-CG1 3.25Å; A319-I323 PolarHBondContact O-N 3.3Å
320	V	86.4	Confident	81.4	Confident	103 Å²	103	76 Å²	76	62%	0.624	50%	0.495	S	S	*	.	H	α-helix	trans	-63.5	-42.5	177.4	173.8	0	0	0	0	111.5	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.08Å; A316-V320 PolarHBondContact O-N 2.78Å; A316-V320 VanDerWaalsContact O-N 3.12Å; V317-V320 PolarHBondContact O-N 3.41Å; L318-V320 PolarHBondContact O-N 3.26Å; V320-I323 PolarHBondContact O-N 2.98Å; V320-G324 PolarHBondContact O-N 2.87Å
321	V	87.6	Confident	81.7	Confident	92 Å²	92	80 Å²	80	56%	0.558	50%	0.504	S	S	*	.	H	α-helix	trans	-63.3	-43.9	177.7	172.7	0	0	0	0	111.2	V317 L318 G324 A325	V317-V321 WeakPolarHBondContact O-CG2 3.34Å; V317-V321 PolarHBondContact O-N 3.45Å; L318-V321 PolarHBondContact O-N 2.81Å; V321-G324 PolarHBondContact O-N 3.2Å; V321-A325 WeakPolarHBondContact O-CB 3.45Å; V321-A325 PolarHBondContact O-N 3.18Å
322	V	85.7	Confident	81.4	Confident	83 Å²	83	79.7 Å²	79.7	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-64.1	-45.8	178.5	172.8	0	0	0	0	110.9	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.39Å; L318-V322 PolarHBondContact O-N 2.8Å; A319-V322 PolarHBondContact O-N 2.76Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.28Å; V322-A325 PolarHBondContact O-N 3.12Å; V322-V326 HydrophobicContact CG1-CG2 4.46Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.31Å; V322-V326 PolarHBondContact O-N 2.9Å
323	I	84.9	Confident	80.8	Confident	109 Å²	109	84.9 Å²	84.9	56%	0.559	52%	0.519	S	S	*	.	H	α-helix	trans	-60.4	-45.1	176.3	-68.5	162.3	0	0	0	110.4	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CD1 3.39Å; A319-I323 VanDerWaalsContact O-CG1 3.27Å; A319-I323 WeakPolarHBondContact O-CG1 3.25Å; A319-I323 PolarHBondContact O-N 3.3Å; V320-I323 PolarHBondContact O-N 2.98Å; I323-A325 PolarHBondContact O-N 2.89Å; I323-V326 PolarHBondContact O-N 3.23Å; I323-V327 HydrophobicContact CG2-CG2 4.35Å; I323-V327 WeakPolarHBondContact O-CG2 3.49Å; I323-V327 PolarHBondContact O-N 3.15Å
324	G	83.2	Confident	80	Confident	40 Å²	40	92.5 Å²	92.5	41%	0.412	54%	0.536	S	S	.	.	H	α-helix	trans	-58.7	-44.2	176.6	0	0	0	0	0	113	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 2.87Å; V321-G324 PolarHBondContact O-N 3.2Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.28Å; G324-V327 PolarHBondContact O-N 3.1Å; G324-A328 WeakPolarHBondContact O-CB 3.34Å; G324-A328 PolarHBondContact O-N 3.03Å
325	A	82	Confident	78.6	Confident	56 Å²	56	100 Å²	100	46%	0.463	56%	0.559	S	S	.	*	H	α-helix	trans	-65.7	-39.4	177.7	0	0	0	0	0	112.6	V321 V322 I323 T329	V321-A325 WeakPolarHBondContact O-CB 3.45Å; V321-A325 PolarHBondContact O-N 3.18Å; V322-A325 PolarHBondContact O-N 3.12Å; I323-A325 PolarHBondContact O-N 2.89Å; A325-T329 WeakPolarHBondContact O-CB 3.15Å; A325-T329 WeakPolarHBondContact O-CG2 3.29Å; A325-T329 PolarHBondContact O-N 2.94Å; A325-T329 PolarHBondContact O-OG1 2.96Å
326	V	82.6	Confident	77.1	Confident	81 Å²	81	99.4 Å²	99.4	49%	0.491	56%	0.564	S	S	.	*	H	α-helix	trans	-66.1	-44.2	176	173.1	0	0	0	0	110.8	V322 I323 T329 V330	V322-V326 HydrophobicContact CG1-CG2 4.46Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.31Å; V322-V326 PolarHBondContact O-N 2.9Å; I323-V326 PolarHBondContact O-N 3.23Å; V326-T329 WeakPolarHBondContact CA-OG1 3.4Å; V326-T329 PolarHBondContact O-N 2.87Å; V326-T329 PolarHBondContact O-OG1 3.04Å; V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.42Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.42Å; V326-V330 PolarHBondContact O-N 3.15Å
327	V	80.9	Confident	75.4	Confident	77 Å²	77	104.4 Å²	104.4	47%	0.467	60%	0.596	S	S	.	*	H	α-helix	trans	-63.3	-44.9	177.2	172.8	0	0	0	0	110.8	I323 G324 T329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.35Å; I323-V327 WeakPolarHBondContact O-CG2 3.49Å; I323-V327 PolarHBondContact O-N 3.15Å; G324-V327 PolarHBondContact O-N 3.1Å; V327-T329 PolarHBondContact O-N 2.74Å; V327-V330 PolarHBondContact O-N 3.35Å; V327-M331 HydrophobicContact CG1-CG 4.38Å; V327-M331 HydrophobicContact CG1-SD 4.1Å; V327-M331 WeakPolarHBondContact O-CB 3.23Å; V327-M331 WeakPolarHBondContact O-CG 3.46Å; V327-M331 PolarHBondContact O-N 3.08Å
328	A	76.4	Confident	74.9	Confident	52 Å²	52	104.9 Å²	104.9	43%	0.43	60%	0.596	S	S	.	*	H	α-helix	trans	-61.2	-44.3	177.6	0	0	0	0	0	112.3	G324 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.34Å; G324-A328 PolarHBondContact O-N 3.03Å; A328-M331 PolarHBondContact O-N 2.91Å; A328-C332 WeakPolarHBondContact O-CB 3.45Å; A328-C332 PolarHBondContact O-N 3.39Å; A328-C332 PolarHBondContact O-SG 3.44Å; A328-C332 VanDerWaalsContact O-SG 3.41Å
329	T	74.3	Confident	74.2	Confident	84 Å²	84	104.7 Å²	104.7	52%	0.515	60%	0.598	S	S	.	*	H	α-helix	trans	-66.6	-39.2	177.5	43.1	0	0	0	0	112.7	A325 V326 V327 C332 R333	A325-T329 WeakPolarHBondContact O-CB 3.15Å; A325-T329 WeakPolarHBondContact O-CG2 3.29Å; A325-T329 PolarHBondContact O-N 2.94Å; A325-T329 PolarHBondContact O-OG1 2.96Å; V326-T329 WeakPolarHBondContact CA-OG1 3.4Å; V326-T329 PolarHBondContact O-N 2.87Å; V326-T329 PolarHBondContact O-OG1 3.04Å; V327-T329 PolarHBondContact O-N 2.74Å; T329-C332 PolarHBondContact O-N 3.39Å; T329-R333 WeakPolarHBondContact O-CB 3.35Å; T329-R333 WeakPolarHBondContact O-CG 3.41Å; T329-R333 PolarHBondContact O-N 3.26Å
330	V	74.5	Confident	73.6	Confident	82 Å²	82	107.7 Å²	107.7	50%	0.497	61%	0.608	S	S	.	*	H	α-helix	trans	-64.9	-42.6	174	170.4	0	0	0	0	111.3	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.42Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.42Å; V326-V330 PolarHBondContact O-N 3.15Å; V327-V330 PolarHBondContact O-N 3.35Å; V330-R333 PolarHBondContact O-N 2.93Å; V330-R334 WeakPolarHBondContact O-CB 3.19Å; V330-R334 PolarHBondContact O-N 2.94Å
331	M	72.1	Confident	72.8	Confident	128 Å²	128	108 Å²	108	63%	0.631	61%	0.607	S	S	*	*	H	α-helix	trans	-65.4	-41.1	176.5	-74.4	-174	69.6	0	0	112.4	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.38Å; V327-M331 HydrophobicContact CG1-SD 4.1Å; V327-M331 WeakPolarHBondContact O-CB 3.23Å; V327-M331 WeakPolarHBondContact O-CG 3.46Å; V327-M331 PolarHBondContact O-N 3.08Å; A328-M331 PolarHBondContact O-N 2.91Å; M331-R334 PolarHBondContact O-N 3.33Å; M331-K335 PolarHBondContact O-N 3.05Å; M331-K335 VanDerWaalsContact O-N 3.14Å
332	C	69	Low	71.9	Confident	90 Å²	90	109 Å²	109	61%	0.608	61%	0.611	S	S	*	*	H	α-helix	trans	-61.3	-43.2	173.7	-77.1	0	0	0	0	111.6	A328 T329 R334 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.45Å; A328-C332 PolarHBondContact O-N 3.39Å; A328-C332 PolarHBondContact O-SG 3.44Å; A328-C332 VanDerWaalsContact O-SG 3.41Å; T329-C332 PolarHBondContact O-N 3.39Å; C332-R334 VanDerWaalsContact C-N 3.35Å; C332-R334 PolarHBondContact O-N 3.07Å; C332-K335 PolarHBondContact O-N 2.87Å; C332-S336 PolarHBondContact O-N 3.16Å; C332-S336 PolarHBondContact O-OG 3.46Å; C332-S336 VanDerWaalsContact O-OG 3.13Å
333	R	64.4	Low	70.9	Confident	200 Å²	200	110.7 Å²	110.7	76%	0.755	62%	0.618	S	S	*	*	H	α-helix	trans	-65.7	-34.2	176.3	-80.1	-174.3	165.2	-179.1	-3.2	113.5	T329 V330 K335 S336	T329-R333 WeakPolarHBondContact O-CB 3.35Å; T329-R333 WeakPolarHBondContact O-CG 3.41Å; T329-R333 PolarHBondContact O-N 3.26Å; V330-R333 PolarHBondContact O-N 2.93Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-S336 WeakPolarHBondContact CA-OG 3.41Å; R333-S336 PolarHBondContact O-OG 3.18Å; R333-S336 VanDerWaalsContact O-OG 3.06Å
334	R	60.4	Low	69.9	Low	212 Å²	212	110.9 Å²	110.9	80%	0.8	62%	0.622	S	S	*	*	H	α-helix	trans	-72.4	-20.8	175.5	-115.8	-177.4	171.5	179.9	-2.5	114	V330 M331 C332	V330-R334 WeakPolarHBondContact O-CB 3.19Å; V330-R334 PolarHBondContact O-N 2.94Å; M331-R334 PolarHBondContact O-N 3.33Å; C332-R334 VanDerWaalsContact C-N 3.35Å; C332-R334 PolarHBondContact O-N 3.07Å
335	K	55.4	Low	68.9	Low	192 Å²	192	116.3 Å²	116.3	84%	0.835	64%	0.638	S	S	*	*	H	α-helix	trans	-91.5	-12.1	179.2	-132.9	178	-175.8	-178.1	0	112.9	M331 C332 R333	M331-K335 PolarHBondContact O-N 3.05Å; M331-K335 VanDerWaalsContact O-N 3.14Å; C332-K335 PolarHBondContact O-N 2.87Å; R333-K335 VanDerWaalsContact C-N 3.31Å
336	S	54	Low	67.8	Low	98 Å²	98	121.3 Å²	121.3	69%	0.685	65%	0.653	S	S	*	*			trans	-106.5	8.3	-179.3	58.5	0	0	0	0	113.6	C332 R333	C332-S336 PolarHBondContact O-N 3.16Å; C332-S336 PolarHBondContact O-OG 3.46Å; C332-S336 VanDerWaalsContact O-OG 3.13Å; R333-S336 WeakPolarHBondContact CA-OG 3.41Å; R333-S336 PolarHBondContact O-OG 3.18Å; R333-S336 VanDerWaalsContact O-OG 3.06Å
337	S	50	Low	66.5	Low	160 Å²	160	125 Å²	125	100%	1.119	67%	0.667	S	S	*	*			trans	-120.1	0	167.5	-177.2	0	0	0	0	108.4

Retrieved 337 of 337 residues in 149.6 ms (Link to these results)

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