A0A060VG30_HUMAN Loading...

MHC class I antigen

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

AlphaFold DB , UniProt , Accession A0A060VG30, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	44.7	Very low	239 Å²	239	144.7 Å²	144.7	100%	1.177	73%	0.725	S	S	*	*				0	107	0	-77.7	162.9	140.5	0	0	108.1	V3	M1-V3 PolarHBondContact O-N 3.17Å
2	R	37	Very low	44.8	Very low	252 Å²	252	143.3 Å²	143.3	95%	0.951	72%	0.72	S	S	*	*			trans	-80.9	110.4	169.8	-96.8	-179.7	173.4	165.1	-2.4	106.7	M4	R2-M4 PolarHBondContact O-N 3.19Å; R2-M4 VanDerWaalsContact O-N 3.11Å
3	V	40.3	Very low	44.4	Very low	142 Å²	142	139.8 Å²	139.8	86%	0.861	70%	0.704	S	S	*	*			trans	-69.6	105.8	170.8	178.9	0	0	0	0	106.5	M1 A5	M1-V3 PolarHBondContact O-N 3.17Å; V3-A5 PolarHBondContact O-N 2.66Å
4	M	43.2	Very low	44.3	Very low	180 Å²	180	134.4 Å²	134.4	89%	0.887	69%	0.686	S	S	*	*			trans	-82.5	100.4	176.9	-152.8	168.8	64.1	0	0	106.3	R2	R2-M4 PolarHBondContact O-N 3.19Å; R2-M4 VanDerWaalsContact O-N 3.11Å
5	A	47.9	Very low	44.4	Very low	54 Å²	54	127.7 Å²	127.7	45%	0.446	66%	0.664	S	S	.	*			trans	-58	137.2	174.3	0	0	0	0	0	109	V3 R7 L10	V3-A5 PolarHBondContact O-N 2.66Å; A5-R7 PolarHBondContact O-N 3.21Å; A5-L10 HydrophobicContact CB-CD1 4.4Å
6	P	47	Very low	44.2	Very low	73 Å²	73	122.9 Å²	122.9	47%	0.474	65%	0.649	S	S	.	*			trans	-60.2	129.1	-179	-16.6	28.4	0	0	0	109.5	T8 L9 L10	P6-T8 PolarHBondContact O-N 2.73Å; P6-L9 WeakPolarHBondContact O-CB 3.36Å; P6-L9 PolarHBondContact O-N 3.06Å; P6-L10 PolarHBondContact O-N 3.36Å
7	R	50	Low	43.6	Very low	221 Å²	221	122.4 Å²	122.4	83%	0.834	65%	0.645	S	S	*	*	H	α-helix	trans	-52.5	-27.2	176.3	-91.2	177.9	160.8	144.7	-6.4	113.1	A5 L10 L11	A5-R7 PolarHBondContact O-N 3.21Å; R7-L10 PolarHBondContact O-N 3.23Å; R7-L11 WeakPolarHBondContact O-CG 3.35Å; R7-L11 PolarHBondContact O-N 2.89Å
8	T	51.4	Low	43.3	Very low	97 Å²	97	118.6 Å²	118.6	60%	0.595	64%	0.635	S	S	*	*	H	α-helix	trans	-66.3	-35.9	173.1	33.4	0	0	0	0	113.4	P6 L11 L12	P6-T8 PolarHBondContact O-N 2.73Å; T8-L11 PolarHBondContact O-N 2.98Å; T8-L12 WeakPolarHBondContact O-CG 3.48Å; T8-L12 PolarHBondContact O-N 2.96Å; T8-L12 VanDerWaalsContact O-N 3.11Å
9	L	44.3	Very low	43.1	Very low	99 Å²	99	117.4 Å²	117.4	52%	0.518	63%	0.628	S	S	.	*	H	α-helix	trans	-70	-37.1	177.3	-141	94.9	0	0	0	111.2	P6 L13	P6-L9 WeakPolarHBondContact O-CB 3.36Å; P6-L9 PolarHBondContact O-N 3.06Å; L9-L13 HydrophobicContact CD2-CD1 4.46Å; L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 WeakPolarHBondContact O-CD1 3.41Å; L9-L13 WeakPolarHBondContact O-CG 3.1Å; L9-L13 PolarHBondContact O-N 3.03Å; L9-L13 VanDerWaalsContact O-N 3.07Å
10	L	44.6	Very low	42.8	Very low	114 Å²	114	116.2 Å²	116.2	60%	0.597	63%	0.625	S	S	*	*	H	α-helix	trans	-67.1	-37.6	176.7	-117.5	96	0	0	0	112.4	A5 P6 R7 S14	A5-L10 HydrophobicContact CB-CD1 4.4Å; P6-L10 PolarHBondContact O-N 3.36Å; R7-L10 PolarHBondContact O-N 3.23Å; L10-S14 PolarHBondContact O-N 2.95Å; L10-S14 PolarHBondContact O-OG 3.36Å
11	L	51.5	Low	42.5	Very low	121 Å²	121	118.6 Å²	118.6	63%	0.634	63%	0.632	S	S	*	*	H	α-helix	trans	-70.6	-39.3	177.1	-74.1	167	0	0	0	112.4	R7 T8 S14 G15	R7-L11 WeakPolarHBondContact O-CG 3.35Å; R7-L11 PolarHBondContact O-N 2.89Å; T8-L11 PolarHBondContact O-N 2.98Å; L11-S14 WeakPolarHBondContact CA-OG 3.48Å; L11-S14 PolarHBondContact O-N 2.89Å; L11-S14 PolarHBondContact O-OG 2.81Å; L11-G15 PolarHBondContact O-N 2.62Å
12	L	45.9	Very low	42.9	Very low	128 Å²	128	112.1 Å²	112.1	67%	0.67	61%	0.607	S	S	*	*	H	α-helix	trans	-64.8	-39.6	174	-75.6	165	0	0	0	111.9	T8 A16	T8-L12 WeakPolarHBondContact O-CG 3.48Å; T8-L12 PolarHBondContact O-N 2.96Å; T8-L12 VanDerWaalsContact O-N 3.11Å; L12-A16 WeakPolarHBondContact O-CB 3.33Å; L12-A16 PolarHBondContact O-N 3.37Å
13	L	40	Very low	43.5	Very low	97 Å²	97	104.4 Å²	104.4	51%	0.508	58%	0.577	S	S	.	*	H	α-helix	trans	-68.6	-33.1	175.3	-79.3	159.9	0	0	0	112.8	L9 L17	L9-L13 HydrophobicContact CD2-CD1 4.46Å; L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 WeakPolarHBondContact O-CD1 3.41Å; L9-L13 WeakPolarHBondContact O-CG 3.1Å; L9-L13 PolarHBondContact O-N 3.03Å; L9-L13 VanDerWaalsContact O-N 3.07Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 WeakPolarHBondContact O-CD1 3.32Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.32Å; L13-L17 PolarHBondContact O-N 3.43Å
14	S	43	Very low	44.1	Very low	64 Å²	64	99.7 Å²	99.7	45%	0.448	55%	0.553	S	S	.	*	H	α-helix	trans	-78.4	-31.5	176	29.9	0	0	0	0	113	L10 L11 A18	L10-S14 PolarHBondContact O-N 2.95Å; L10-S14 PolarHBondContact O-OG 3.36Å; L11-S14 WeakPolarHBondContact CA-OG 3.48Å; L11-S14 PolarHBondContact O-N 2.89Å; L11-S14 PolarHBondContact O-OG 2.81Å; S14-A18 WeakPolarHBondContact O-CB 3.28Å; S14-A18 PolarHBondContact O-N 3.34Å; S14-A18 VanDerWaalsContact O-N 3.08Å
15	G	44.9	Very low	45.3	Very low	35 Å²	35	94 Å²	94	36%	0.361	53%	0.53	S	S	.	.	H	α-helix	trans	-64.7	-44.1	167.2	0	0	0	0	0	112.3	L11 A18 L19	L11-G15 PolarHBondContact O-N 2.62Å; G15-A18 PolarHBondContact O-N 3.07Å; G15-L19 WeakPolarHBondContact O-CB 3.48Å; G15-L19 WeakPolarHBondContact O-CD1 3.43Å; G15-L19 WeakPolarHBondContact O-CG 3.16Å; G15-L19 PolarHBondContact O-N 2.8Å
16	A	42	Very low	47.2	Very low	51 Å²	51	95 Å²	95	42%	0.421	53%	0.534	S	S	.	.	H	α-helix	trans	-67	-39.4	177.4	0	0	0	0	0	113.2	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.33Å; L12-A16 PolarHBondContact O-N 3.37Å; A16-L19 WeakPolarHBondContact O-CB 3.4Å; A16-L19 PolarHBondContact O-N 2.8Å; A16-T20 PolarHBondContact O-N 3.38Å; A16-T20 PolarHBondContact O-OG1 3.48Å
17	L	34.3	Very low	49.4	Very low	113 Å²	113	93 Å²	93	59%	0.592	52%	0.519	S	S	*	.	H	α-helix	trans	-68.2	-38	176.1	-78.8	162.3	0	0	0	112.4	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 WeakPolarHBondContact O-CD1 3.32Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.32Å; L13-L17 PolarHBondContact O-N 3.43Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-T20 WeakPolarHBondContact CA-OG1 3.41Å; L17-T20 PolarHBondContact O-N 3.47Å; L17-T20 PolarHBondContact O-OG1 2.95Å; L17-E21 PolarHBondContact O-N 2.82Å; L17-E21 VanDerWaalsContact O-N 3.16Å
18	A	37.3	Very low	51.7	Low	55 Å²	55	83.7 Å²	83.7	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-68.3	-29.8	172.4	0	0	0	0	0	112.7	S14 G15 T22	S14-A18 WeakPolarHBondContact O-CB 3.28Å; S14-A18 PolarHBondContact O-N 3.34Å; S14-A18 VanDerWaalsContact O-N 3.08Å; G15-A18 PolarHBondContact O-N 3.07Å; A18-T22 PolarHBondContact O-OG1 2.91Å; A18-T22 VanDerWaalsContact O-OG1 3.06Å
19	L	39.5	Very low	53.9	Low	95 Å²	95	79 Å²	79	50%	0.497	46%	0.459	S	S	.	.	H	α-helix	trans	-72.6	-33.3	173.9	-84.8	157.3	0	0	0	112.5	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.48Å; G15-L19 WeakPolarHBondContact O-CD1 3.43Å; G15-L19 WeakPolarHBondContact O-CG 3.16Å; G15-L19 PolarHBondContact O-N 2.8Å; A16-L19 WeakPolarHBondContact O-CB 3.4Å; A16-L19 PolarHBondContact O-N 2.8Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L19-T22 PolarHBondContact O-OG1 3.13Å; L19-T22 VanDerWaalsContact O-OG1 3.13Å
20	T	37.6	Very low	56.5	Low	94 Å²	94	76.6 Å²	76.6	58%	0.577	44%	0.443	S	S	*	.	H	α-helix	trans	-78.1	-30.2	176.6	49.8	0	0	0	0	113.6	A16 L17 T22	A16-T20 PolarHBondContact O-N 3.38Å; A16-T20 PolarHBondContact O-OG1 3.48Å; L17-T20 WeakPolarHBondContact CA-OG1 3.41Å; L17-T20 PolarHBondContact O-N 3.47Å; L17-T20 PolarHBondContact O-OG1 2.95Å; T20-T22 VanDerWaalsContact C-N 3.32Å
21	E	36.2	Very low	59	Low	166 Å²	166	71.5 Å²	71.5	78%	0.776	42%	0.415	S	S	*	.	H	α-helix	trans	-72.4	-23.8	176.5	-94.5	-174.9	158.5	0	0	113.2	L17 W23	L17-E21 PolarHBondContact O-N 2.82Å; L17-E21 VanDerWaalsContact O-N 3.16Å; E21-W23 VanDerWaalsContact C-N 3.32Å; E21-W23 PolarHBondContact O-N 2.93Å
22	T	42	Very low	61.3	Low	104 Å²	104	69.7 Å²	69.7	64%	0.638	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.8	-179	42.4	0	0	0	0	114.2	A18 L19 T20	A18-T22 PolarHBondContact O-OG1 2.91Å; A18-T22 VanDerWaalsContact O-OG1 3.06Å; L19-T22 PolarHBondContact O-OG1 3.13Å; L19-T22 VanDerWaalsContact O-OG1 3.13Å; T20-T22 VanDerWaalsContact C-N 3.32Å
23	W	50.5	Low	63.8	Low	89 Å²	89	64.1 Å²	64.1	34%	0.337	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	11	-175.1	-76.1	62.1	0	0	0	113.6	E21 C25 H287 E288 L290	E21-W23 VanDerWaalsContact C-N 3.32Å; E21-W23 PolarHBondContact O-N 2.93Å; W23-C25 PolarHBondContact O-N 2.95Å; W23-C25 VanDerWaalsContact O-N 3.13Å; W23-H287 WeakPolarHBondContact CH2-O 3.33Å; W23-H287 WeakPolarHBondContact CZ3-O 3.17Å; W23-E288 HydrophobicContact CE3-CB 4.3Å; W23-E288 HydrophobicContact CE3-CG 3.98Å; W23-E288 VanDerWaalsContact CH2-CA 3.48Å; W23-E288 HydrophobicContact CZ3-CB 4.33Å; W23-E288 HydrophobicContact CZ3-CG 4.37Å; W23-E288 WeakPolarHBondContact CZ3-O 3.39Å; W23-L290 WeakPolarHBondContact CH2-O 3.41Å; W23-L290 WeakPolarHBondContact CZ3-O 3.18Å
24	A	52.8	Low	66.6	Low	43 Å²	43	61.6 Å²	61.6	36%	0.355	36%	0.361	S	S	.	.	S	Bend	trans	-74.1	107	171.3	0	0	0	0	0	107	S26 P129	A24-S26 PolarHBondContact O-N 3.4Å; A24-P129 HydrophobicContact CB-CB 3.75Å; A24-P129 HydrophobicContact CB-CG 3.12Å
25	C	69.3	Low	69.3	Low	60 Å²	60	58.6 Å²	58.6	41%	0.405	34%	0.34	S	S	.	.			trans	-48.8	101.7	-170.9	-59.4	0	0	0	0	111.4	W23 E288	W23-C25 PolarHBondContact O-N 2.95Å; W23-C25 VanDerWaalsContact O-N 3.13Å; C25-E288 PolarHBondContact SG-OE1 2.88Å
26	S	87.8	Confident	71.8	Confident	75 Å²	75	58.8 Å²	58.8	52%	0.524	34%	0.335	S	S	.	.			trans	-89.9	141.5	169.8	59.9	0	0	0	0	108.8	A24 L127	A24-S26 PolarHBondContact O-N 3.4Å; S26-L127 WeakPolarHBondContact CA-O 3.39Å; S26-L127 WeakPolarHBondContact CB-O 3.05Å
27	H	93.4	Very high	74.4	Confident	32 Å²	32	57.2 Å²	57.2	15%	0.148	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.2	177.2	-68	-75.1	0	0	0	110.7	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.29Å; H27-D53 IonicContact CE1-OD2 2.71Å; H27-D53 IonicContact CG-OD2 3.84Å; H27-D53 IonicContact ND1-OD1 3.77Å; H27-D53 IonicContact ND1-OD2 3.99Å; H27-D53 PolarHBondContact ND1-OD2 3.35Å; H27-D126 CarbonylContact O-C 3.51Å; H27-D126 WeakPolarHBondContact O-CA 3.2Å; H27-L127 PolarHBondContact N-O 3.2Å; H27-L127 PolarHBondContact O-N 3.17Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.24Å
28	S	96.6	Very high	77.2	Confident	25 Å²	25	54.4 Å²	54.4	18%	0.175	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.7	-179.9	66.7	0	0	0	0	111.8	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.53Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.42Å; S28-D53 PolarHBondContact N-OD1 2.96Å; S28-D53 PolarHBondContact O-N 3.39Å; S28-D53 PolarHBondContact OG-OD1 2.94Å; S28-C125 WeakPolarHBondContact CA-O 3.21Å; S28-D126 WeakPolarHBondContact CB-OD1 3.34Å
29	M	98.3	Very high	79.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.5	167.3	-176.3	172.7	59.7	0	0	108.3	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.2Å; M29-Y31 HydrophobicContact CG-CE2 4.04Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; M29-Y51 WeakPolarHBondContact CA-O 3.44Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.4Å; M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; M29-C125 PolarHBondContact N-O 2.85Å; M29-C125 PolarHBondContact O-N 2.85Å; M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 WeakPolarHBondContact CE-SG 3.39Å; M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.34Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.35Å; M29-Y195 HydrophobicContact SD-CD2 3.77Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å
30	R	98.6	Very high	81.2	Confident	48 Å²	48	56.1 Å²	56.1	18%	0.181	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135	-176.3	-56.4	-62.2	-177.7	77.5	3.6	110.8	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.42Å; R30-F32 HydrophobicContact CB-CE2 3.58Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; R30-G50 CarbonylContact O-C 3.41Å; R30-G50 WeakPolarHBondContact O-CA 3.44Å; R30-Y51 PolarHBondContact N-O 3.36Å; R30-Y51 PolarHBondContact O-N 2.86Å; R30-D126 IonicContact CZ-OD1 3.62Å; R30-D126 IonicContact NE-OD1 3.54Å; R30-D126 PolarHBondContact NE-OD1 3Å; R30-D126 VanDerWaalsContact NE-OD1 3.14Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 2.82Å; R30-D126 PolarHBondContact NH2-OD1 2.84Å; R30-D126 IonicContact NH2-OD2 2.65Å; R30-D126 PolarHBondContact NH2-OD2 3.47Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.29Å; R30-Y137 PolarHBondContact NH2-OH 3.21Å
31	Y	98.8	Very high	83.2	Confident	6 Å²	6	61.5 Å²	61.5	2%	0.024	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.5	169.6	-70	-92.6	0	0	0	109.6	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.2Å; M29-Y31 HydrophobicContact CG-CE2 4.04Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; Y31-Y33 HydrophobicContact CD1-CE1 4.36Å; Y31-V49 CarbonylContact C-O 3.59Å; Y31-V49 WeakPolarHBondContact CA-O 3.42Å; Y31-F57 AromaticContact CE1-CZ 4Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.44Å; Y31-V58 HydrophobicContact CE1-CG1 3.98Å; Y31-M122 WeakPolarHBondContact O-CA 3.33Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.41Å; Y31-Y123 HydrophobicContact CD2-CD2 4.35Å; Y31-Y123 AromaticContact CD2-CE2 3.53Å; Y31-Y123 HydrophobicContact CD2-CE2 3.53Å; Y31-Y123 AromaticContact CD2-CZ 3.74Å; Y31-Y123 HydrophobicContact CE2-CE2 4.32Å; Y31-Y123 HydrophobicContact CG-CE1 4.31Å; Y31-Y123 AromaticContact CG-CE2 3.94Å; Y31-Y123 HydrophobicContact CG-CE2 3.94Å; Y31-Y123 AromaticContact CG-CZ 3.64Å; Y31-Y123 PolarHBondContact N-O 2.6Å; Y31-Y123 PolarHBondContact O-N 3.13Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32	F	98.8	Very high	85.4	Confident	84 Å²	84	56.2 Å²	56.2	37%	0.368	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.7	178	-57	-95.9	0	0	0	109.3	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.42Å; R30-F32 HydrophobicContact CB-CE2 3.58Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; F32-A48 WeakPolarHBondContact O-CA 3.41Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 2.95Å; F32-V49 PolarHBondContact O-N 2.98Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.13Å; F32-R121 CarbonylContact C-O 3.55Å; F32-R121 WeakPolarHBondContact CA-O 3.28Å; F32-M122 HydrophobicContact CD1-CB 3.93Å; F32-M122 HydrophobicContact CD1-CG 3.63Å; F32-M122 HydrophobicContact CE1-CB 4.07Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 3.96Å
33	Y	98.8	Very high	87.7	Confident	11 Å²	11	55.3 Å²	55.3	4%	0.043	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.8	177.4	-60.1	-13.1	0	0	0	109.4	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.36Å; Y33-F46 HydrophobicContact CD1-CZ 4.28Å; Y33-F46 HydrophobicContact CD2-CE2 4.42Å; Y33-F46 HydrophobicContact CD2-CZ 4.15Å; Y33-F46 HydrophobicContact CG-CE2 4.21Å; Y33-F46 AromaticContact CG-CZ 3.94Å; Y33-F46 HydrophobicContact CG-CZ 3.94Å; Y33-I47 WeakPolarHBondContact CA-O 3.34Å; Y33-A48 HydrophobicContact CD1-CB 3.31Å; Y33-A48 HydrophobicContact CE1-CB 3.45Å; Y33-A48 VanDerWaalsContact CE1-CB 3.45Å; Y33-A48 HydrophobicContact CG-CB 4.3Å; Y33-Y91 HydrophobicContact CE1-CD1 4.19Å; Y33-Y91 AromaticContact CE1-CE1 3.86Å; Y33-Y91 HydrophobicContact CE1-CE1 3.86Å; Y33-Q94 HydrophobicContact CD2-CG 3.54Å; Y33-Q94 HydrophobicContact CE2-CB 4.31Å; Y33-Q94 HydrophobicContact CE2-CG 3.59Å; Y33-Q120 CarbonylContact O-C 3.51Å; Y33-Q120 VanDerWaalsContact O-CA 3.28Å; Y33-Q120 WeakPolarHBondContact O-CA 3.45Å; Y33-R121 PolarHBondContact N-O 3.28Å; Y33-R121 PolarHBondContact O-N 3.06Å; Y33-Y123 HydrophobicContact CD2-CE1 4.12Å; Y33-Y123 HydrophobicContact CE1-CE1 4.11Å; Y33-Y123 AromaticContact CE2-CE1 3.52Å; Y33-Y123 HydrophobicContact CE2-CE1 3.52Å; Y33-Y123 AromaticContact CZ-CE1 3.54Å; Y33-Y123 AromaticContact CZ-CZ 3.89Å; Y33-Y123 PolarHBondContact OH-OH 3.15Å
34	T	98.8	Very high	89.8	Confident	43 Å²	43	52.2 Å²	52.2	26%	0.264	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	122.4	175.6	-59.7	0	0	0	0	109.1	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.01Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; T34-I47 PolarHBondContact N-O 3.45Å; T34-I47 PolarHBondContact O-N 3.37Å; T34-T118 HydrophobicContact CG2-CG2 4.08Å; T34-L119 WeakPolarHBondContact CA-O 3.33Å; T34-Q120 HydrophobicContact CG2-CG 4.11Å
35	A	98.5	Very high	91.9	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.5	174.4	0	0	0	0	0	109.8	H45 F46 D98 L102 T118 L119	A35-H45 CarbonylContact C-O 3.59Å; A35-H45 VanDerWaalsContact CA-O 3.26Å; A35-H45 WeakPolarHBondContact CA-O 3.45Å; A35-F46 HydrophobicContact CB-CD2 4.18Å; A35-D98 HydrophobicContact CB-CB 3.66Å; A35-L102 HydrophobicContact CB-CD1 3.91Å; A35-T118 WeakPolarHBondContact O-CA 3.4Å; A35-L119 HydrophobicContact CB-CB 4.44Å; A35-L119 PolarHBondContact N-O 2.97Å; A35-L119 PolarHBondContact O-N 3.29Å
36	V	98.1	Very high	93.3	Very high	40 Å²	40	49.5 Å²	49.5	24%	0.242	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.4	-179.9	-173.4	0	0	0	0	109.1	T34 P44 H45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.01Å; V36-P44 CarbonylContact O-C 3.6Å; V36-P44 WeakPolarHBondContact O-CA 3.47Å; V36-P44 WeakPolarHBondContact O-CB 3.34Å; V36-H45 PolarHBondContact N-O 2.93Å; V36-H45 PolarHBondContact O-N 3.34Å; V36-H117 WeakPolarHBondContact CA-O 3.32Å; V36-T118 HydrophobicContact CG2-CG2 4.21Å
37	S	96.4	Very high	93.8	Very high	18 Å²	18	48.1 Å²	48.1	13%	0.126	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	141.7	175.9	69.6	0	0	0	0	110.7	S116 H117	S37-S116 PolarHBondContact O-OG 2.94Å; S37-H117 PolarHBondContact N-O 3.08Å; S37-H117 PolarHBondContact OG-N 3.47Å; S37-H117 PolarHBondContact OG-O 3.48Å
38	R	93.1	Very high	94.1	Very high	54 Å²	54	46.6 Å²	46.6	20%	0.204	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	80.7	-178.7	-59.7	177.1	-70.1	-170.1	-5.7	110.8	S40 R41 G42 E43 H45 D63	R38-S40 PolarHBondContact O-N 3.06Å; R38-R41 HydrophobicContact CB-CB 3.95Å; R38-R41 PolarHBondContact O-N 3.05Å; R38-G42 PolarHBondContact O-N 3.4Å; R38-E43 PolarHBondContact NE-O 3.41Å; R38-E43 PolarHBondContact NH2-O 3.28Å; R38-H45 VanDerWaalsContact CZ-CB 3.5Å; R38-D63 IonicContact CZ-OD1 3.97Å; R38-D63 IonicContact CZ-OD2 2.6Å; R38-D63 IonicContact NH1-OD1 2.66Å; R38-D63 IonicContact NH1-OD2 3.77Å; R38-D63 PolarHBondContact NH1-OD2 3.4Å; R38-D63 IonicContact NH2-OD1 3.67Å; R38-D63 PolarHBondContact NH2-OD1 2.91Å; R38-D63 IonicContact NH2-OD2 3.5Å; R38-D63 PolarHBondContact NH2-OD2 2.87Å
39	P	82.9	Confident	94.2	Very high	63 Å²	63	46.6 Å²	46.6	41%	0.409	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-35	-172.9	-28.8	34.7	0	0	0	114.5	E113 G115	P39-E113 WeakPolarHBondContact CB-O 3.38Å; P39-E113 WeakPolarHBondContact CG-O 3.27Å; P39-G115 WeakPolarHBondContact CG-O 3.37Å
40	S	78.8	Confident	94.2	Very high	122 Å²	122	46.6 Å²	46.6	85%	0.853	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-5.2	-179.2	-42.5	0	0	0	0	115.1	R38	R38-S40 PolarHBondContact O-N 3.06Å
41	R	78.1	Confident	94.2	Very high	208 Å²	208	47.6 Å²	47.6	79%	0.785	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	10.3	-174.9	-58	-173.4	175.6	-168.2	-0.3	114.1	R38	R38-R41 HydrophobicContact CB-CB 3.95Å; R38-R41 PolarHBondContact O-N 3.05Å
42	G	83.1	Confident	94.2	Very high	54 Å²	54	47.3 Å²	47.3	56%	0.557	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	94.9	-126.2	174.7	0	0	0	0	0	113	R38	R38-G42 PolarHBondContact O-N 3.4Å
43	E	90	Very high	94	Very high	85 Å²	85	44.7 Å²	44.7	40%	0.397	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	148.8	-173.4	-66.7	-57.1	155	0	0	113	R38 H45 R99	R38-E43 PolarHBondContact NE-O 3.41Å; R38-E43 PolarHBondContact NH2-O 3.28Å; E43-H45 PolarHBondContact O-N 3.03Å; E43-R99 VanDerWaalsContact CD-NE 3.3Å; E43-R99 IonicContact OE1-CZ 3.01Å; E43-R99 IonicContact OE1-NE 3.52Å; E43-R99 PolarHBondContact OE1-NE 3.11Å; E43-R99 IonicContact OE1-NH1 3.73Å; E43-R99 IonicContact OE1-NH2 2.7Å; E43-R99 PolarHBondContact OE1-NH2 2.88Å; E43-R99 WeakPolarHBondContact OE2-CD 3.36Å; E43-R99 IonicContact OE2-CZ 2.76Å; E43-R99 IonicContact OE2-NE 3.88Å; E43-R99 PolarHBondContact OE2-NE 2.97Å; E43-R99 IonicContact OE2-NH1 3.51Å; E43-R99 IonicContact OE2-NH2 3.5Å; E43-R99 PolarHBondContact OE2-NH2 3.27Å
44	P	94.9	Very high	93.8	Very high	24 Å²	24	46.7 Å²	46.7	16%	0.156	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	138.2	172	-25.1	35.5	0	0	0	111.6	V36 R99 L102	V36-P44 CarbonylContact O-C 3.6Å; V36-P44 WeakPolarHBondContact O-CA 3.47Å; V36-P44 WeakPolarHBondContact O-CB 3.34Å; P44-R99 HydrophobicContact CG-CB 4.2Å; P44-R99 HydrophobicContact CG-CG 4.14Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.81Å
45	H	97.5	Very high	93.6	Very high	43 Å²	43	46.1 Å²	46.1	20%	0.199	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125	170.4	-169.9	-174.4	0	0	0	108.2	A35 V36 R38 E43 D61 S62 D63	A35-H45 CarbonylContact C-O 3.59Å; A35-H45 VanDerWaalsContact CA-O 3.26Å; A35-H45 WeakPolarHBondContact CA-O 3.45Å; V36-H45 PolarHBondContact N-O 2.93Å; V36-H45 PolarHBondContact O-N 3.34Å; R38-H45 VanDerWaalsContact CZ-CB 3.5Å; E43-H45 PolarHBondContact O-N 3.03Å; H45-D61 IonicContact CD2-OD1 2.61Å; H45-D61 IonicContact CE1-OD1 3.33Å; H45-D61 IonicContact NE2-OD1 3.73Å; H45-D61 PolarHBondContact NE2-OD1 3.34Å; H45-D61 IonicContact NE2-OD2 2.62Å; H45-S62 PolarHBondContact CD2-OG 3.01Å; H45-D63 IonicContact CD2-OD1 2.81Å; H45-D63 IonicContact CD2-OD2 3.7Å; H45-D63 IonicContact CE1-OD2 3.43Å; H45-D63 IonicContact CG-OD2 2.81Å; H45-D63 IonicContact ND1-OD2 3.99Å; H45-D63 IonicContact NE2-OD2 3.11Å
46	F	98.5	Very high	93.6	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.013	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.7	175.8	178	-93.7	0	0	0	110.7	Y33 T34 A35 A48 F60 S62 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.28Å; Y33-F46 HydrophobicContact CD2-CE2 4.42Å; Y33-F46 HydrophobicContact CD2-CZ 4.15Å; Y33-F46 HydrophobicContact CG-CE2 4.21Å; Y33-F46 AromaticContact CG-CZ 3.94Å; Y33-F46 HydrophobicContact CG-CZ 3.94Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; A35-F46 HydrophobicContact CB-CD2 4.18Å; F46-A48 HydrophobicContact CE1-CB 3.76Å; F46-A48 HydrophobicContact CZ-CB 3.95Å; F46-F60 AromaticContact CD1-CD1 3.74Å; F46-F60 HydrophobicContact CD1-CD1 3.74Å; F46-F60 AromaticContact CD1-CE1 3.8Å; F46-F60 HydrophobicContact CD1-CE1 3.8Å; F46-F60 AromaticContact CE1-CD1 3.92Å; F46-F60 HydrophobicContact CE1-CD1 3.92Å; F46-F60 HydrophobicContact CE1-CE1 4.26Å; F46-S62 PolarHBondContact N-OG 3.33Å; F46-S62 WeakPolarHBondContact O-CB 3.38Å; F46-S62 PolarHBondContact O-N 3.5Å; F46-S62 PolarHBondContact O-OG 3.45Å; F46-Q94 HydrophobicContact CE2-CB 4.42Å; F46-Q94 HydrophobicContact CE2-CG 3.79Å; F46-Q94 HydrophobicContact CZ-CB 4.01Å; F46-Q94 HydrophobicContact CZ-CG 3.71Å; F46-A95 HydrophobicContact CB-CB 3.76Å; F46-A95 HydrophobicContact CD1-CB 3.73Å; F46-A95 HydrophobicContact CD2-CB 4.18Å; F46-A95 HydrophobicContact CE1-CB 4.37Å; F46-A95 HydrophobicContact CG-CB 3.61Å; F46-D98 VanDerWaalsContact CE2-OD2 3.31Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.17Å
47	I	98.7	Very high	93.6	Very high	47 Å²	47	46.7 Å²	46.7	24%	0.241	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.6	173.6	-58.5	175.1	0	0	0	108	Y33 T34 V49 F60	Y33-I47 WeakPolarHBondContact CA-O 3.34Å; T34-I47 PolarHBondContact N-O 3.45Å; T34-I47 PolarHBondContact O-N 3.37Å; I47-V49 HydrophobicContact CG2-CG1 4.33Å; I47-F60 WeakPolarHBondContact CA-O 3.41Å
48	A	98.8	Very high	93.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138	169.8	0	0	0	0	0	110.1	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.41Å; Y33-A48 HydrophobicContact CD1-CB 3.31Å; Y33-A48 HydrophobicContact CE1-CB 3.45Å; Y33-A48 VanDerWaalsContact CE1-CB 3.45Å; Y33-A48 HydrophobicContact CG-CB 4.3Å; F46-A48 HydrophobicContact CE1-CB 3.76Å; F46-A48 HydrophobicContact CZ-CB 3.95Å; A48-R59 CarbonylContact O-C 3.55Å; A48-R59 WeakPolarHBondContact O-CA 3.4Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.96Å; A48-F60 PolarHBondContact O-N 3.48Å; A48-Y91 HydrophobicContact CB-CD1 3.62Å; A48-Y91 HydrophobicContact CB-CE1 3.69Å; A48-Y91 HydrophobicContact CB-CG 4.45Å
49	V	98.8	Very high	93.9	Very high	25 Å²	25	47 Å²	47	15%	0.152	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.5	173.6	-62.3	0	0	0	0	109.8	Y31 F32 I47 Y51 V58 R59	Y31-V49 CarbonylContact C-O 3.59Å; Y31-V49 WeakPolarHBondContact CA-O 3.42Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 2.95Å; F32-V49 PolarHBondContact O-N 2.98Å; I47-V49 HydrophobicContact CG2-CG1 4.33Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-V58 WeakPolarHBondContact CA-O 3.3Å; V49-R59 HydrophobicContact CG1-CG 4.26Å
50	G	98.6	Very high	94.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.4	176	0	0	0	0	0	110.9	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.41Å; R30-G50 WeakPolarHBondContact O-CA 3.44Å; G50-Q56 WeakPolarHBondContact O-CA 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 2.92Å; G50-V58 PolarHBondContact N-O 3.5Å; G50-V58 PolarHBondContact O-N 3.42Å
51	Y	98.4	Very high	95.6	Very high	69 Å²	69	39.7 Å²	39.7	27%	0.271	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.9	-179.4	-74.7	-102.6	0	0	0	110.2	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.44Å; R30-Y51 PolarHBondContact N-O 3.36Å; R30-Y51 PolarHBondContact O-N 2.86Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.13Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 WeakPolarHBondContact CA-O 3.3Å; Y51-T55 VanDerWaalsContact CD1-C 3.5Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CG 4.37Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.18Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.87Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å
52	V	97.8	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.4	156.5	176.6	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.53Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.42Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; V52-D54 PolarHBondContact O-N 2.92Å; V52-T55 PolarHBondContact N-O 3.47Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 3.28Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; V52-W75 HydrophobicContact CB-CH2 4.36Å; V52-W75 HydrophobicContact CB-CZ2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.92Å; V52-Y195 HydrophobicContact CG2-CG 4.4Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.21Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å
53	D	94.8	Very high	97.1	Very high	28 Å²	28	32.7 Å²	32.7	15%	0.15	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-123.8	-166.5	-53.3	-40.7	0	0	0	110.2	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.29Å; H27-D53 IonicContact CE1-OD2 2.71Å; H27-D53 IonicContact CG-OD2 3.84Å; H27-D53 IonicContact ND1-OD1 3.77Å; H27-D53 IonicContact ND1-OD2 3.99Å; H27-D53 PolarHBondContact ND1-OD2 3.35Å; S28-D53 PolarHBondContact N-OD1 2.96Å; S28-D53 PolarHBondContact O-N 3.39Å; S28-D53 PolarHBondContact OG-OD1 2.94Å
54	D	94.5	Very high	97.4	Very high	53 Å²	53	30.2 Å²	30.2	28%	0.283	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	7.6	179	-59.4	-54.1	0	0	0	114	V52 Y233 P234 T235 F265	V52-D54 PolarHBondContact O-N 2.92Å; D54-Y233 HydrophobicContact CB-CE2 4.01Å; D54-P234 VanDerWaalsContact OD2-CB 3.28Å; D54-P234 WeakPolarHBondContact OD2-CB 3.46Å; D54-T235 VanDerWaalsContact CG-CG2 3.45Å; D54-T235 WeakPolarHBondContact OD1-CG2 3.3Å; D54-T235 WeakPolarHBondContact OD2-CB 3.39Å; D54-T235 WeakPolarHBondContact OD2-CG2 3.33Å; D54-T235 PolarHBondContact OD2-N 2.91Å; D54-F265 HydrophobicContact CB-CE2 3.81Å; D54-F265 HydrophobicContact CB-CZ 3.71Å
55	T	95.8	Very high	97.5	Very high	32 Å²	32	34.6 Å²	34.6	20%	0.196	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.8	-175.4	-60.5	0	0	0	0	111.5	Y51 V52 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.3Å; Y51-T55 VanDerWaalsContact CD1-C 3.5Å; V52-T55 PolarHBondContact N-O 3.47Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 3.28Å; T55-F57 PolarHBondContact O-N 2.91Å; T55-A73 HydrophobicContact CG2-CB 4.41Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; T55-Y233 PolarHBondContact OG1-OH 3.37Å
56	Q	97.2	Very high	97.4	Very high	52 Å²	52	36.5 Å²	36.5	24%	0.243	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	128	173.6	-166.1	-179.7	2.8	0	0	110.3	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.41Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CG 4.37Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.18Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.87Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Q56-V58 PolarHBondContact NE2-O 3.4Å; Q56-R72 HydrophobicContact CB-CB 4.46Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.58Å
57	F	98	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-20.4	179.4	75.2	-88.2	0	0	0	114.2	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.4Å; Y31-F57 AromaticContact CE1-CZ 4Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.44Å; G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 2.92Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; T55-F57 PolarHBondContact O-N 2.91Å; F57-R72 PolarHBondContact O-N 3.41Å; F57-A73 HydrophobicContact CB-CB 4.11Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.39Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 AromaticContact CD1-CH2 3.95Å; F57-W75 HydrophobicContact CD1-CH2 3.95Å; F57-W75 AromaticContact CD2-CH2 3.98Å; F57-W75 HydrophobicContact CD2-CH2 3.98Å; F57-W75 HydrophobicContact CD2-CZ3 4.22Å; F57-W75 AromaticContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CH2 3.44Å; F57-W75 VanDerWaalsContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CZ2 4.17Å; F57-W75 HydrophobicContact CG-CZ3 4.13Å; F57-V76 HydrophobicContact CB-CG1 4.33Å; F57-V76 HydrophobicContact CD2-CB 4.44Å; F57-V76 HydrophobicContact CD2-CG1 4.48Å; F57-V76 HydrophobicContact CD2-CG2 4.13Å; F57-V76 VanDerWaalsContact O-CG1 3.28Å; F57-V76 WeakPolarHBondContact O-CG1 3.46Å; F57-Y195 AromaticContact CE2-CE2 3.86Å; F57-Y195 HydrophobicContact CE2-CE2 3.86Å; F57-Y195 HydrophobicContact CZ-CD2 4.44Å; F57-Y195 AromaticContact CZ-CE2 3.87Å; F57-Y195 HydrophobicContact CZ-CE2 3.87Å
58	V	98.3	Very high	97.3	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147.9	179.5	64.8	0	0	0	0	111.9	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 3.98Å; V49-V58 WeakPolarHBondContact CA-O 3.3Å; G50-V58 PolarHBondContact N-O 3.5Å; G50-V58 PolarHBondContact O-N 3.42Å; Q56-V58 PolarHBondContact NE2-O 3.4Å; V58-E70 WeakPolarHBondContact CA-O 3.47Å; V58-W84 HydrophobicContact CG2-CZ3 4.1Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.25Å; V58-Y91 HydrophobicContact CG2-CE2 4.15Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.38Å
59	R	98.4	Very high	97.2	Very high	79 Å²	79	43.2 Å²	43.2	30%	0.298	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.5	170.2	-178.8	176.7	170.8	117.5	3	110.5	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.55Å; A48-R59 WeakPolarHBondContact O-CA 3.4Å; V49-R59 HydrophobicContact CG1-CG 4.26Å; R59-D61 IonicContact CZ-OD2 3Å; R59-D61 IonicContact NH2-OD2 3.15Å; R59-D61 PolarHBondContact NH2-OD2 3.32Å; R59-E70 PolarHBondContact N-O 2.94Å; R59-E70 PolarHBondContact O-N 3.29Å; R59-R72 HydrophobicContact CB-CG 3.92Å
60	F	98.8	Very high	97.1	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.013	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.4	164.5	176.1	-83.1	0	0	0	109.1	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.74Å; F46-F60 HydrophobicContact CD1-CD1 3.74Å; F46-F60 AromaticContact CD1-CE1 3.8Å; F46-F60 HydrophobicContact CD1-CE1 3.8Å; F46-F60 AromaticContact CE1-CD1 3.92Å; F46-F60 HydrophobicContact CE1-CD1 3.92Å; F46-F60 HydrophobicContact CE1-CE1 4.26Å; I47-F60 WeakPolarHBondContact CA-O 3.41Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 2.96Å; A48-F60 PolarHBondContact O-N 3.48Å; F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.69Å; F60-R68 WeakPolarHBondContact CD2-O 3.43Å; F60-Y91 HydrophobicContact CB-CD1 4.34Å; F60-Y91 HydrophobicContact CB-CD2 3.58Å; F60-Y91 HydrophobicContact CB-CE2 4.08Å; F60-Y91 HydrophobicContact CB-CG 3.74Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.76Å; F60-Y91 HydrophobicContact CD2-CD2 3.76Å; F60-Y91 AromaticContact CD2-CG 3.98Å; F60-Y91 HydrophobicContact CD2-CG 3.98Å; F60-Y91 AromaticContact CG-CD2 3.85Å; F60-Y91 HydrophobicContact CG-CD2 3.85Å; F60-Y91 AromaticContact CG-CG 3.79Å; F60-Y91 HydrophobicContact CG-CG 3.79Å; F60-K92 HydrophobicContact CE2-CG 4.19Å; F60-K92 HydrophobicContact CZ-CG 4Å
61	D	98.5	Very high	97.1	Very high	28 Å²	28	47.1 Å²	47.1	15%	0.15	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	118.9	178.7	-164.2	-35	0	0	0	109.4	H45 R59 D63 A64	H45-D61 IonicContact CD2-OD1 2.61Å; H45-D61 IonicContact CE1-OD1 3.33Å; H45-D61 IonicContact NE2-OD1 3.73Å; H45-D61 PolarHBondContact NE2-OD1 3.34Å; H45-D61 IonicContact NE2-OD2 2.62Å; R59-D61 IonicContact CZ-OD2 3Å; R59-D61 IonicContact NH2-OD2 3.15Å; R59-D61 PolarHBondContact NH2-OD2 3.32Å; D61-D63 PolarHBondContact O-N 2.93Å; D61-D63 PolarHBondContact OD1-N 2.91Å; D61-A64 HydrophobicContact CB-CB 4.33Å; D61-A64 WeakPolarHBondContact O-CB 3.24Å; D61-A64 PolarHBondContact O-N 3.49Å
62	S	97.6	Very high	97	Very high	33 Å²	33	49.5 Å²	49.5	23%	0.231	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.3	-177.9	70.8	0	0	0	0	113.6	H45 F46 P67	H45-S62 PolarHBondContact CD2-OG 3.01Å; F46-S62 PolarHBondContact N-OG 3.33Å; F46-S62 WeakPolarHBondContact O-CB 3.38Å; F46-S62 PolarHBondContact O-N 3.5Å; F46-S62 PolarHBondContact O-OG 3.45Å; S62-P67 WeakPolarHBondContact O-CG 3.23Å
63	D	96.1	Very high	97	Very high	82 Å²	82	49.7 Å²	49.7	44%	0.439	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-4.7	-179.4	-77.9	11.2	0	0	0	112.4	R38 H45 D61	R38-D63 IonicContact CZ-OD1 3.97Å; R38-D63 IonicContact CZ-OD2 2.6Å; R38-D63 IonicContact NH1-OD1 2.66Å; R38-D63 IonicContact NH1-OD2 3.77Å; R38-D63 PolarHBondContact NH1-OD2 3.4Å; R38-D63 IonicContact NH2-OD1 3.67Å; R38-D63 PolarHBondContact NH2-OD1 2.91Å; R38-D63 IonicContact NH2-OD2 3.5Å; R38-D63 PolarHBondContact NH2-OD2 2.87Å; H45-D63 IonicContact CD2-OD1 2.81Å; H45-D63 IonicContact CD2-OD2 3.7Å; H45-D63 IonicContact CE1-OD2 3.43Å; H45-D63 IonicContact CG-OD2 2.81Å; H45-D63 IonicContact ND1-OD2 3.99Å; H45-D63 IonicContact NE2-OD2 3.11Å; D61-D63 PolarHBondContact O-N 2.93Å; D61-D63 PolarHBondContact OD1-N 2.91Å
64	A	96.6	Very high	97	Very high	33 Å²	33	53 Å²	53	27%	0.273	30%	0.296	S	S	.	.	S	Bend	trans	-60.5	149.1	173.6	0	0	0	0	0	111	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.33Å; D61-A64 WeakPolarHBondContact O-CB 3.24Å; D61-A64 PolarHBondContact O-N 3.49Å; A64-S66 PolarHBondContact O-N 3.29Å; A64-S66 VanDerWaalsContact O-N 3.15Å; A64-P67 WeakPolarHBondContact O-CD 3.17Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.34Å
65	A	96.1	Very high	97.1	Very high	117 Å²	117	51.1 Å²	51.1	97%	0.967	29%	0.285	S	S	*	.	S	Bend	trans	-58.5	-31.1	179.6	0	0	0	0	0	113.1
66	S	95.6	Very high	97.1	Very high	82 Å²	82	49.6 Å²	49.6	57%	0.573	28%	0.276	S	S	*	.	S	Bend	trans	-134.1	88.2	172	-173.1	0	0	0	0	109.2	A64 R68	A64-S66 PolarHBondContact O-N 3.29Å; A64-S66 VanDerWaalsContact O-N 3.15Å; S66-R68 PolarHBondContact O-N 3.42Å; S66-R68 VanDerWaalsContact O-N 3.11Å
67	P	96.8	Very high	97	Very high	35 Å²	35	53.1 Å²	53.1	23%	0.227	29%	0.292	C	S	.	.			trans	-64	113.2	-175.4	-24.3	35.5	0	0	0	111.8	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.69Å; S62-P67 WeakPolarHBondContact O-CG 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.17Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.34Å; P67-K92 WeakPolarHBondContact O-CE 3.33Å; P67-K92 PolarHBondContact O-NZ 2.88Å
68	R	97.6	Very high	96.9	Very high	151 Å²	151	58.9 Å²	58.9	57%	0.57	32%	0.319	S	S	*	.			trans	-147.7	160.2	177.3	63.7	-176.9	174.5	173.3	0.3	110.7	F60 S66 E70 T88	F60-R68 WeakPolarHBondContact CD2-O 3.43Å; S66-R68 PolarHBondContact O-N 3.42Å; S66-R68 VanDerWaalsContact O-N 3.11Å; R68-E70 HydrophobicContact CG-CG 4.27Å; R68-E70 PolarHBondContact O-N 3.47Å; R68-T88 HydrophobicContact CB-CG2 4.19Å
69	G	97.3	Very high	96.8	Very high	6 Å²	6	59.4 Å²	59.4	6%	0.062	32%	0.322	C	S	.	.			trans	-65.4	129.4	167.9	0	0	0	0	0	109.5	T88	G69-T88 PolarHBondContact N-OG1 3.46Å
70	E	97.5	Very high	96.6	Very high	57 Å²	57	57.3 Å²	57.3	27%	0.266	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.8	-178.5	-64.7	178.9	162.3	0	0	109.9	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.47Å; R59-E70 PolarHBondContact N-O 2.94Å; R59-E70 PolarHBondContact O-N 3.29Å; R68-E70 HydrophobicContact CG-CG 4.27Å; R68-E70 PolarHBondContact O-N 3.47Å; E70-R72 IonicContact OE2-CZ 3.72Å; E70-R72 IonicContact OE2-NH2 2.72Å; E70-R72 PolarHBondContact OE2-NH2 2.88Å
71	P	97.8	Very high	96.5	Very high	49 Å²	49	61.8 Å²	61.8	32%	0.318	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	144.2	173.2	28.1	-33.7	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.78Å; P71-E77 HydrophobicContact CB-CG 3.73Å; P71-E77 HydrophobicContact CG-CG 3.96Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.76Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.21Å
72	R	97.2	Very high	96.5	Very high	120 Å²	120	68.3 Å²	68.3	45%	0.453	38%	0.384	S	S	.	.			trans	-126.1	-1.4	175.3	-60.5	-64.6	171.2	175.8	-2.5	113.2	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.46Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.58Å; F57-R72 PolarHBondContact O-N 3.41Å; R59-R72 HydrophobicContact CB-CG 3.92Å; E70-R72 IonicContact OE2-CZ 3.72Å; E70-R72 IonicContact OE2-NH2 2.72Å; E70-R72 PolarHBondContact OE2-NH2 2.88Å
73	A	95.8	Very high	96.4	Very high	4 Å²	4	67 Å²	67	3%	0.033	37%	0.374	C	S	.	.	S	Bend	trans	-137.1	143.9	173.4	0	0	0	0	0	110.8	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.41Å; F57-A73 HydrophobicContact CB-CB 4.11Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.95Å; A73-W75 PolarHBondContact O-N 2.96Å; A73-V76 VanDerWaalsContact O-CG1 3.23Å; A73-V76 WeakPolarHBondContact O-CG1 3.22Å; A73-V76 PolarHBondContact O-N 3.31Å
74	P	95.8	Very high	96.5	Very high	97 Å²	97	65 Å²	65	63%	0.63	36%	0.36	S	S	*	.	H	α-helix	trans	-58.5	-37.6	-177.3	-26.3	34.8	0	0	0	113.9	V76 E77	P74-V76 PolarHBondContact O-N 3.48Å; P74-E77 WeakPolarHBondContact O-CB 3.41Å; P74-E77 PolarHBondContact O-N 3.2Å; P74-E77 VanDerWaalsContact O-N 3.08Å
75	W	95.6	Very high	96.6	Very high	14 Å²	14	68.5 Å²	68.5	5%	0.053	38%	0.375	C	S	.	.	H	α-helix	trans	-69.6	-13.5	-176	53.2	-106.9	0	0	0	114.6	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.36Å; V52-W75 HydrophobicContact CB-CZ2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.39Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 AromaticContact CD1-CH2 3.95Å; F57-W75 HydrophobicContact CD1-CH2 3.95Å; F57-W75 AromaticContact CD2-CH2 3.98Å; F57-W75 HydrophobicContact CD2-CH2 3.98Å; F57-W75 HydrophobicContact CD2-CZ3 4.22Å; F57-W75 AromaticContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CH2 3.44Å; F57-W75 VanDerWaalsContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CZ2 4.17Å; F57-W75 HydrophobicContact CG-CZ3 4.13Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.95Å; A73-W75 PolarHBondContact O-N 2.96Å; W75-Q78 WeakPolarHBondContact O-CG 3.07Å; W75-Y195 HydrophobicContact CE3-CD1 4.25Å; W75-Y195 HydrophobicContact CE3-CG 4.49Å; W75-Y195 HydrophobicContact CH2-CG 4.15Å; W75-Y195 AromaticContact CZ3-CD1 3.6Å; W75-Y195 HydrophobicContact CZ3-CD1 3.6Å; W75-Y195 HydrophobicContact CZ3-CD2 4.33Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.6Å; W75-Y195 HydrophobicContact CZ3-CG 3.6Å; W75-N198 HydrophobicContact CB-CB 4.37Å; W75-N198 WeakPolarHBondContact CB-O 3.14Å; W75-T202 VanDerWaalsContact CD1-OG1 3.25Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.42Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.17Å; W75-L203 HydrophobicContact CZ2-CG 4.44Å
76	V	97	Very high	96.6	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-95	-15.4	172.5	73.2	0	0	0	0	112.2	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.33Å; F57-V76 HydrophobicContact CD2-CB 4.44Å; F57-V76 HydrophobicContact CD2-CG1 4.48Å; F57-V76 HydrophobicContact CD2-CG2 4.13Å; F57-V76 VanDerWaalsContact O-CG1 3.28Å; F57-V76 WeakPolarHBondContact O-CG1 3.46Å; P71-V76 HydrophobicContact CB-CG1 3.78Å; A73-V76 VanDerWaalsContact O-CG1 3.23Å; A73-V76 WeakPolarHBondContact O-CG1 3.22Å; A73-V76 PolarHBondContact O-N 3.31Å; P74-V76 PolarHBondContact O-N 3.48Å; V76-Q78 PolarHBondContact O-N 3.16Å; V76-E79 HydrophobicContact CG2-CG 3.88Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.46Å; V76-E79 WeakPolarHBondContact O-CG 3.35Å; V76-E79 PolarHBondContact O-N 3.01Å; V76-Y83 HydrophobicContact CG2-CE1 4.11Å; V76-W84 HydrophobicContact CG1-CH2 4.03Å; V76-W84 HydrophobicContact CG1-CZ2 4.23Å; V76-W84 HydrophobicContact CG2-CH2 4Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.04Å; V76-Y195 HydrophobicContact CG2-CE1 4.37Å
77	E	95.3	Very high	96.7	Very high	125 Å²	125	64.3 Å²	64.3	58%	0.584	32%	0.321	S	S	*	.	H	α-helix	trans	-63.7	-25.7	179.4	-64.9	-177.2	-178.6	0	0	112.7	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.73Å; P71-E77 HydrophobicContact CG-CG 3.96Å; P74-E77 WeakPolarHBondContact O-CB 3.41Å; P74-E77 PolarHBondContact O-N 3.2Å; P74-E77 VanDerWaalsContact O-N 3.08Å; E77-E79 PolarHBondContact O-N 3.22Å
78	Q	94.5	Very high	96.8	Very high	121 Å²	121	63.1 Å²	63.1	57%	0.565	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.7	175.3	67.9	-178.3	21.9	0	0	113.9	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.07Å; V76-Q78 PolarHBondContact O-N 3.16Å; Q78-N198 VanDerWaalsContact NE2-CB 3.32Å; Q78-N198 PolarHBondContact NE2-ND2 3.39Å; Q78-N198 PolarHBondContact NE2-OD1 2.99Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.09Å
79	E	96.4	Very high	96.8	Very high	11 Å²	11	61 Å²	61	5%	0.051	31%	0.31	C	S	.	.	S	Bend	trans	-65.9	136	174.6	-65.8	-61.6	161.6	0	0	111	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.88Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.46Å; V76-E79 WeakPolarHBondContact O-CG 3.35Å; V76-E79 PolarHBondContact O-N 3.01Å; E77-E79 PolarHBondContact O-N 3.22Å; E79-Y83 HydrophobicContact CB-CD1 3.49Å; E79-Y83 VanDerWaalsContact CB-CD1 3.49Å; E79-Y83 HydrophobicContact CB-CD2 4.48Å; E79-Y83 HydrophobicContact CB-CE1 4.07Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CD2 4.43Å; E79-Y83 HydrophobicContact CG-CE1 4.21Å; E79-Y83 HydrophobicContact CG-CG 4.16Å; E79-W84 PolarHBondContact O-NE1 2.88Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; E79-R194 IonicContact OE1-CZ 3.23Å; E79-R194 IonicContact OE1-NE 2.95Å; E79-R194 PolarHBondContact OE1-NE 2.85Å; E79-R194 IonicContact OE1-NH2 3.22Å; E79-R194 PolarHBondContact OE1-NH2 2.97Å; E79-R194 IonicContact OE2-CZ 3.33Å; E79-R194 IonicContact OE2-NE 3.29Å; E79-R194 IonicContact OE2-NH2 2.73Å; E79-R194 PolarHBondContact OE2-NH2 2.89Å; E79-N198 PolarHBondContact OE1-ND2 2.87Å
80	G	95.5	Very high	96.8	Very high	35 Å²	35	63.3 Å²	63.3	36%	0.361	32%	0.319	S	S	.	.			trans	-70.4	169.8	-174.2	0	0	0	0	0	114.3	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.03Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 3.16Å; G80-W84 PolarHBondContact O-N 2.68Å
81	P	96.4	Very high	96.9	Very high	98 Å²	98	60.6 Å²	60.6	64%	0.636	31%	0.306	S	S	*	.	H	α-helix	trans	-58.2	-34.8	-178.6	23.1	-33.6	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 3.17Å; P81-W84 PolarHBondContact O-N 3.09Å; P81-D85 WeakPolarHBondContact O-CB 3.43Å; P81-D85 PolarHBondContact O-N 3.02Å
82	E	97.2	Very high	96.9	Very high	164 Å²	164	62.4 Å²	62.4	77%	0.766	31%	0.309	S	S	*	.	H	α-helix	trans	-60.9	-35.8	177.9	-63.4	-179.1	179.1	0	0	112.8	G80 R86	G80-E82 PolarHBondContact O-N 3.03Å; E82-R86 VanDerWaalsContact O-CB 3.24Å; E82-R86 WeakPolarHBondContact O-CB 3.35Å; E82-R86 PolarHBondContact O-N 3.19Å
83	Y	97.3	Very high	96.9	Very high	7 Å²	7	64.4 Å²	64.4	3%	0.027	32%	0.316	C	S	.	.	H	α-helix	trans	-64.4	-51.9	174.4	168.9	-91.7	0	0	0	110.1	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.11Å; E79-Y83 HydrophobicContact CB-CD1 3.49Å; E79-Y83 VanDerWaalsContact CB-CD1 3.49Å; E79-Y83 HydrophobicContact CB-CD2 4.48Å; E79-Y83 HydrophobicContact CB-CE1 4.07Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CD2 4.43Å; E79-Y83 HydrophobicContact CG-CE1 4.21Å; E79-Y83 HydrophobicContact CG-CG 4.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 3.16Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 3.17Å; Y83-D85 PolarHBondContact O-N 2.8Å; Y83-R86 PolarHBondContact O-N 2.94Å; Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.22Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.8Å; Y83-E87 HydrophobicContact CG-CG 4.48Å; Y83-E87 WeakPolarHBondContact O-CG 3.47Å; Y83-E87 PolarHBondContact O-N 2.93Å; Y83-W191 AromaticContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CZ2 4.3Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.25Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.49Å; Y83-Y195 PolarHBondContact OH-OH 2.82Å
84	W	97.8	Very high	97	Very high	38 Å²	38	65.6 Å²	65.6	14%	0.144	32%	0.321	C	S	.	.	H	α-helix	trans	-64.5	-37.7	-177.9	-67.9	112	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.1Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.76Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.21Å; V76-W84 HydrophobicContact CG1-CH2 4.03Å; V76-W84 HydrophobicContact CG1-CZ2 4.23Å; V76-W84 HydrophobicContact CG2-CH2 4Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.04Å; E79-W84 PolarHBondContact O-NE1 2.88Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; G80-W84 PolarHBondContact O-N 2.68Å; P81-W84 PolarHBondContact O-N 3.09Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 2.84Å; W84-T88 PolarHBondContact O-OG1 2.86Å
85	D	97.8	Very high	97.2	Very high	108 Å²	108	61.8 Å²	61.8	58%	0.578	30%	0.298	S	S	*	.	H	α-helix	trans	-64.7	-47	174.3	-76.5	-21.9	0	0	0	110.7	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.43Å; P81-D85 PolarHBondContact O-N 3.02Å; Y83-D85 PolarHBondContact O-N 2.8Å; D85-T88 PolarHBondContact O-N 2.89Å; D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.46Å; D85-Q89 PolarHBondContact O-N 3.07Å
86	R	97.2	Very high	97.2	Very high	103 Å²	103	66.1 Å²	66.1	39%	0.389	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-47.9	178.2	-175.2	-178.3	66.1	-146	-4.6	111.9	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.24Å; E82-R86 WeakPolarHBondContact O-CB 3.35Å; E82-R86 PolarHBondContact O-N 3.19Å; Y83-R86 PolarHBondContact O-N 2.94Å; R86-Q89 PolarHBondContact O-N 3.43Å; R86-K90 WeakPolarHBondContact O-CG 3.43Å; R86-K90 PolarHBondContact O-N 3.24Å
87	E	97.3	Very high	97.3	Very high	7 Å²	7	69.3 Å²	69.3	3%	0.033	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-42	179	-66.2	-46.6	118.8	0	0	111.2	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.22Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.8Å; Y83-E87 HydrophobicContact CG-CG 4.48Å; Y83-E87 WeakPolarHBondContact O-CG 3.47Å; Y83-E87 PolarHBondContact O-N 2.93Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 2.88Å; E87-K90 WeakPolarHBondContact O-CB 3.42Å; E87-K90 PolarHBondContact O-N 3.35Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 WeakPolarHBondContact OE1-CE 3.47Å; E87-K90 IonicContact OE1-NZ 3.05Å; E87-K90 PolarHBondContact OE1-NZ 3.49Å; E87-K90 IonicContact OE2-NZ 2.79Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.32Å; E87-Y91 PolarHBondContact O-N 3.04Å
88	T	98.3	Very high	97.4	Very high	11 Å²	11	63.6 Å²	63.6	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-57.5	-43.8	173.9	-64.8	0	0	0	0	112.1	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.19Å; G69-T88 PolarHBondContact N-OG1 3.46Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 2.84Å; W84-T88 PolarHBondContact O-OG1 2.86Å; D85-T88 PolarHBondContact O-N 2.89Å; T88-Y91 PolarHBondContact O-N 2.93Å; T88-K92 HydrophobicContact CG2-CD 4.14Å; T88-K92 WeakPolarHBondContact O-CG 3.46Å; T88-K92 PolarHBondContact O-N 2.68Å
89	Q	98.2	Very high	97.5	Very high	105 Å²	105	60.9 Å²	60.9	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-68.5	-35.2	177.2	-67.4	-57.8	-30	0	0	112.5	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.46Å; D85-Q89 PolarHBondContact O-N 3.07Å; R86-Q89 PolarHBondContact O-N 3.43Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 2.88Å; Q89-R93 WeakPolarHBondContact O-CB 2.94Å; Q89-R93 WeakPolarHBondContact O-CG 3.42Å; Q89-R93 PolarHBondContact O-N 2.71Å
90	K	97.3	Very high	97.5	Very high	56 Å²	56	63.3 Å²	63.3	24%	0.243	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-50.5	172	-74.2	174.2	178.4	174.6	0	110.8	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.43Å; R86-K90 PolarHBondContact O-N 3.24Å; E87-K90 WeakPolarHBondContact O-CB 3.42Å; E87-K90 PolarHBondContact O-N 3.35Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 WeakPolarHBondContact OE1-CE 3.47Å; E87-K90 IonicContact OE1-NZ 3.05Å; E87-K90 PolarHBondContact OE1-NZ 3.49Å; E87-K90 IonicContact OE2-NZ 2.79Å; K90-K92 PolarHBondContact O-N 3.24Å; K90-R93 PolarHBondContact O-N 2.86Å; K90-Q94 PolarHBondContact O-N 2.79Å
91	Y	98.4	Very high	97.6	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.4	-42.7	178.4	-61.6	-48.9	0	0	0	112.8	Y33 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.19Å; Y33-Y91 AromaticContact CE1-CE1 3.86Å; Y33-Y91 HydrophobicContact CE1-CE1 3.86Å; A48-Y91 HydrophobicContact CB-CD1 3.62Å; A48-Y91 HydrophobicContact CB-CE1 3.69Å; A48-Y91 HydrophobicContact CB-CG 4.45Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.25Å; V58-Y91 HydrophobicContact CG2-CE2 4.15Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.38Å; F60-Y91 HydrophobicContact CB-CD1 4.34Å; F60-Y91 HydrophobicContact CB-CD2 3.58Å; F60-Y91 HydrophobicContact CB-CE2 4.08Å; F60-Y91 HydrophobicContact CB-CG 3.74Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.76Å; F60-Y91 HydrophobicContact CD2-CD2 3.76Å; F60-Y91 AromaticContact CD2-CG 3.98Å; F60-Y91 HydrophobicContact CD2-CG 3.98Å; F60-Y91 AromaticContact CG-CD2 3.85Å; F60-Y91 HydrophobicContact CG-CD2 3.85Å; F60-Y91 AromaticContact CG-CG 3.79Å; F60-Y91 HydrophobicContact CG-CG 3.79Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.32Å; E87-Y91 PolarHBondContact O-N 3.04Å; T88-Y91 PolarHBondContact O-N 2.93Å; Y91-R93 PolarHBondContact O-N 2.81Å; Y91-Q94 PolarHBondContact O-N 3.01Å; Y91-A95 WeakPolarHBondContact O-CB 3.46Å; Y91-A95 PolarHBondContact O-N 3.33Å
92	K	98.2	Very high	97.7	Very high	86 Å²	86	59.7 Å²	59.7	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-41.2	176.7	-75.2	178.6	178.1	174.9	0	112.7	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.19Å; F60-K92 HydrophobicContact CZ-CG 4Å; P67-K92 WeakPolarHBondContact O-CE 3.33Å; P67-K92 PolarHBondContact O-NZ 2.88Å; T88-K92 HydrophobicContact CG2-CD 4.14Å; T88-K92 WeakPolarHBondContact O-CG 3.46Å; T88-K92 PolarHBondContact O-N 2.68Å; K90-K92 PolarHBondContact O-N 3.24Å; K92-Q96 PolarHBondContact O-N 2.92Å
93	R	98.2	Very high	97.6	Very high	163 Å²	163	57.8 Å²	57.8	62%	0.615	26%	0.264	S	S	*	.	H	α-helix	trans	-64.6	-44.4	174.7	-75.3	-172.8	-64.6	-177.3	2.3	111.3	Q89 K90 Y91 A95 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 2.94Å; Q89-R93 WeakPolarHBondContact O-CG 3.42Å; Q89-R93 PolarHBondContact O-N 2.71Å; K90-R93 PolarHBondContact O-N 2.86Å; Y91-R93 PolarHBondContact O-N 2.81Å; R93-A95 PolarHBondContact O-N 3.19Å; R93-Q96 PolarHBondContact O-N 2.85Å; R93-T97 PolarHBondContact O-N 2.84Å; R93-T97 PolarHBondContact O-OG1 2.83Å
94	Q	98.2	Very high	97.5	Very high	29 Å²	29	62.2 Å²	62.2	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-43.9	177.7	-174.4	63.4	41.6	0	0	112.1	Y33 F46 K90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.54Å; Y33-Q94 HydrophobicContact CE2-CB 4.31Å; Y33-Q94 HydrophobicContact CE2-CG 3.59Å; F46-Q94 HydrophobicContact CE2-CB 4.42Å; F46-Q94 HydrophobicContact CE2-CG 3.79Å; F46-Q94 HydrophobicContact CZ-CB 4.01Å; F46-Q94 HydrophobicContact CZ-CG 3.71Å; K90-Q94 PolarHBondContact O-N 2.79Å; Y91-Q94 PolarHBondContact O-N 3.01Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 3.44Å; Q94-T97 CarbonylContact O-C 3.58Å; Q94-T97 WeakPolarHBondContact O-CA 3.4Å; Q94-T97 WeakPolarHBondContact O-CB 3.21Å; Q94-T97 PolarHBondContact O-N 2.81Å; Q94-D98 PolarHBondContact NE2-OD1 3.29Å; Q94-D98 PolarHBondContact NE2-OD2 3.22Å; Q94-D98 PolarHBondContact O-N 3.11Å
95	A	98	Very high	97.5	Very high	17 Å²	17	60.8 Å²	60.8	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-57.1	-39.7	176.3	0	0	0	0	0	112.5	F46 Y91 R93 R99	F46-A95 HydrophobicContact CB-CB 3.76Å; F46-A95 HydrophobicContact CD1-CB 3.73Å; F46-A95 HydrophobicContact CD2-CB 4.18Å; F46-A95 HydrophobicContact CE1-CB 4.37Å; F46-A95 HydrophobicContact CG-CB 3.61Å; Y91-A95 WeakPolarHBondContact O-CB 3.46Å; Y91-A95 PolarHBondContact O-N 3.33Å; R93-A95 PolarHBondContact O-N 3.19Å; A95-R99 WeakPolarHBondContact O-CB 3.43Å; A95-R99 PolarHBondContact O-N 3.49Å
96	Q	97.5	Very high	97.4	Very high	105 Å²	105	58.4 Å²	58.4	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-70.1	-38.9	174.5	-65.9	-55.7	-44.2	0	0	112.4	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 2.92Å; R93-Q96 PolarHBondContact O-N 2.85Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 3.44Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 3.49Å; Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 2.03Å
97	T	97.8	Very high	97.4	Very high	66 Å²	66	55.6 Å²	55.6	41%	0.405	26%	0.264	S	S	.	.	H	α-helix	trans	-59.9	-47.3	173.6	-65.4	0	0	0	0	111	R93 Q94 R99 V100 N101	R93-T97 PolarHBondContact O-N 2.84Å; R93-T97 PolarHBondContact O-OG1 2.83Å; Q94-T97 CarbonylContact O-C 3.58Å; Q94-T97 WeakPolarHBondContact O-CA 3.4Å; Q94-T97 WeakPolarHBondContact O-CB 3.21Å; Q94-T97 PolarHBondContact O-N 2.81Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 2.98Å; T97-V100 WeakPolarHBondContact O-CB 3.41Å; T97-V100 PolarHBondContact O-N 2.8Å; T97-V100 VanDerWaalsContact O-N 3.09Å; T97-N101 WeakPolarHBondContact CG2-ND2 3.45Å; T97-N101 VanDerWaalsContact O-CG 3.26Å; T97-N101 PolarHBondContact O-N 3.28Å; T97-N101 PolarHBondContact O-ND2 2.89Å
98	D	97.8	Very high	97.4	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.032	27%	0.274	C	S	.	.	H	α-helix	trans	-69.9	-32.8	-178.4	-70.8	-21.9	0	0	0	112.6	A35 F46 Q94 V100 N101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.66Å; F46-D98 VanDerWaalsContact CE2-OD2 3.31Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.17Å; Q94-D98 PolarHBondContact NE2-OD1 3.29Å; Q94-D98 PolarHBondContact NE2-OD2 3.22Å; Q94-D98 PolarHBondContact O-N 3.11Å; D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 2.82Å; D98-N101 PolarHBondContact O-N 3.1Å; D98-L102 WeakPolarHBondContact O-CB 3.11Å; D98-L102 VanDerWaalsContact O-CG 3.28Å; D98-L102 WeakPolarHBondContact O-CG 3.46Å; D98-L102 PolarHBondContact O-N 3.3Å; D98-L119 HydrophobicContact CB-CD2 4.16Å
99	R	96.6	Very high	97.3	Very high	64 Å²	64	60.8 Å²	60.8	24%	0.242	28%	0.284	C	S	.	.	H	α-helix	trans	-56.3	-44.9	167.9	175.9	-165.3	-177	-168.3	1.6	112.1	E43 P44 A95 Q96 T97	E43-R99 VanDerWaalsContact CD-NE 3.3Å; E43-R99 IonicContact OE1-CZ 3.01Å; E43-R99 IonicContact OE1-NE 3.52Å; E43-R99 PolarHBondContact OE1-NE 3.11Å; E43-R99 IonicContact OE1-NH1 3.73Å; E43-R99 IonicContact OE1-NH2 2.7Å; E43-R99 PolarHBondContact OE1-NH2 2.88Å; E43-R99 WeakPolarHBondContact OE2-CD 3.36Å; E43-R99 IonicContact OE2-CZ 2.76Å; E43-R99 IonicContact OE2-NE 3.88Å; E43-R99 PolarHBondContact OE2-NE 2.97Å; E43-R99 IonicContact OE2-NH1 3.51Å; E43-R99 IonicContact OE2-NH2 3.5Å; E43-R99 PolarHBondContact OE2-NH2 3.27Å; P44-R99 HydrophobicContact CG-CB 4.2Å; P44-R99 HydrophobicContact CG-CG 4.14Å; A95-R99 WeakPolarHBondContact O-CB 3.43Å; A95-R99 PolarHBondContact O-N 3.49Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 3.49Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 2.98Å
100	V	96.8	Very high	97.3	Very high	62 Å²	62	63.1 Å²	63.1	38%	0.376	30%	0.299	S	S	.	.	H	α-helix	trans	-70.4	-40.4	177.3	174	0	0	0	0	110.8	Q96 T97 D98 R103 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 2.03Å; T97-V100 WeakPolarHBondContact O-CB 3.41Å; T97-V100 PolarHBondContact O-N 2.8Å; T97-V100 VanDerWaalsContact O-N 3.09Å; D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 2.82Å; V100-R103 PolarHBondContact O-N 2.86Å; V100-K104 HydrophobicContact CG1-CD 4.27Å; V100-K104 PolarHBondContact O-N 3.3Å; V100-K104 VanDerWaalsContact O-N 3.08Å
101	N	97.8	Very high	97.2	Very high	48 Å²	48	63.2 Å²	63.2	26%	0.257	30%	0.301	S	S	.	.	H	α-helix	trans	-64.7	-42.5	179.8	-69.6	-20.4	0	0	0	112	T97 D98 R103 K104 L105 L119	T97-N101 WeakPolarHBondContact CG2-ND2 3.45Å; T97-N101 VanDerWaalsContact O-CG 3.26Å; T97-N101 PolarHBondContact O-N 3.28Å; T97-N101 PolarHBondContact O-ND2 2.89Å; D98-N101 PolarHBondContact O-N 3.1Å; N101-R103 VanDerWaalsContact C-N 3.27Å; N101-R103 PolarHBondContact O-N 3.11Å; N101-K104 PolarHBondContact O-N 3.45Å; N101-L105 WeakPolarHBondContact O-CB 3.33Å; N101-L105 VanDerWaalsContact O-CG 3.28Å; N101-L105 WeakPolarHBondContact O-CG 3.32Å; N101-L105 PolarHBondContact O-N 3.3Å; N101-L119 HydrophobicContact CB-CD2 3.74Å
102	L	97.4	Very high	96.9	Very high	9 Å²	9	67 Å²	67	5%	0.047	33%	0.327	C	S	.	.	H	α-helix	trans	-55.5	-41.3	174.4	-77.3	165.8	0	0	0	112	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.91Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.81Å; D98-L102 WeakPolarHBondContact O-CB 3.11Å; D98-L102 VanDerWaalsContact O-CG 3.28Å; D98-L102 WeakPolarHBondContact O-CG 3.46Å; D98-L102 PolarHBondContact O-N 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.42Å; L102-R106 PolarHBondContact O-N 3.04Å; L102-R106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; L102-L119 HydrophobicContact CD2-CB 3.7Å; L102-L119 HydrophobicContact CG-CB 4.16Å; L102-Y142 HydrophobicContact CD2-CE2 4.07Å
103	R	95.1	Very high	96.4	Very high	124 Å²	124	69.3 Å²	69.3	47%	0.468	34%	0.339	S	S	.	.	H	α-helix	trans	-67.4	-40.1	175.6	-66.6	177.7	-173.7	149.6	0.4	112.5	V100 N101 G107	V100-R103 PolarHBondContact O-N 2.86Å; N101-R103 VanDerWaalsContact C-N 3.27Å; N101-R103 PolarHBondContact O-N 3.11Å; R103-G107 PolarHBondContact O-N 3.07Å
104	K	96.4	Very high	96	Very high	99 Å²	99	65.8 Å²	65.8	43%	0.43	35%	0.345	S	S	.	.	H	α-helix	trans	-65.7	-48.1	177.5	-73.1	174.7	179.7	168.3	0	111.4	V100 N101 R106 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.27Å; V100-K104 PolarHBondContact O-N 3.3Å; V100-K104 VanDerWaalsContact O-N 3.08Å; N101-K104 PolarHBondContact O-N 3.45Å; K104-R106 PolarHBondContact O-N 2.85Å; K104-G107 CarbonylContact O-C 3.58Å; K104-G107 WeakPolarHBondContact O-CA 3.33Å; K104-G107 PolarHBondContact O-N 3.04Å; K104-Y108 WeakPolarHBondContact O-CD1 3.48Å; K104-Y108 PolarHBondContact O-N 2.95Å
105	L	97.6	Very high	95.6	Very high	8 Å²	8	65.5 Å²	65.5	4%	0.042	35%	0.349	C	S	.	.	H	α-helix	trans	-59.9	-47	179.9	-70.5	168	0	0	0	110.7	N101 G107 Y108 Y109 L119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.33Å; N101-L105 VanDerWaalsContact O-CG 3.28Å; N101-L105 WeakPolarHBondContact O-CG 3.32Å; N101-L105 PolarHBondContact O-N 3.3Å; L105-G107 PolarHBondContact O-N 2.64Å; L105-Y108 PolarHBondContact O-N 3.34Å; L105-Y109 HydrophobicContact CD2-CE2 4.33Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.39Å; L105-Y109 PolarHBondContact O-N 2.93Å; L105-L119 HydrophobicContact CD1-CD1 3.84Å; L105-L119 HydrophobicContact CD1-CD2 4.17Å; L105-L119 HydrophobicContact CD1-CG 4.46Å; L105-Y142 HydrophobicContact CB-CD1 4.35Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 3.99Å; L105-Y142 HydrophobicContact CB-CE2 3.83Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.6Å; L105-Y142 HydrophobicContact CD1-CE2 3.93Å; L105-Y142 HydrophobicContact CD1-CG 4.05Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; L105-Y147 HydrophobicContact CD2-CD1 4.45Å; L105-Y147 HydrophobicContact CD2-CD2 4.09Å; L105-Y147 HydrophobicContact CD2-CE1 3.86Å; L105-Y147 HydrophobicContact CD2-CE2 3.42Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.42Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.47Å
106	R	95.7	Very high	95.5	Very high	59 Å²	59	68.3 Å²	68.3	22%	0.223	37%	0.368	C	S	.	.	H	α-helix	trans	-52.3	-41.4	173	-170.4	-175.2	67.2	-175.9	8.6	112.4	L102 K104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.42Å; L102-R106 PolarHBondContact O-N 3.04Å; L102-R106 VanDerWaalsContact O-N 3.08Å; K104-R106 PolarHBondContact O-N 2.85Å; R106-N110 PolarHBondContact O-N 2.93Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 WeakPolarHBondContact CG-O 3.44Å; R106-Q111 PolarHBondContact O-N 3.18Å; R106-E113 IonicContact CZ-OE1 3.94Å; R106-E113 IonicContact NH1-OE1 3.93Å; R106-E113 IonicContact NH2-OE1 3.96Å; R106-E113 PolarHBondContact NH2-OE1 3.4Å
107	G	96	Very high	95.5	Very high	43 Å²	43	64 Å²	64	44%	0.443	35%	0.348	S	S	.	.	H	α-helix	trans	-66.9	-42.9	174.5	0	0	0	0	0	113.5	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.07Å; K104-G107 CarbonylContact O-C 3.58Å; K104-G107 WeakPolarHBondContact O-CA 3.33Å; K104-G107 PolarHBondContact O-N 3.04Å; L105-G107 PolarHBondContact O-N 2.64Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.91Å; G107-N110 PolarHBondContact O-N 3.44Å; G107-N110 PolarHBondContact O-OD1 2.75Å
108	Y	97.7	Very high	95.5	Very high	60 Å²	60	62.7 Å²	62.7	24%	0.235	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-35	178.8	-65.4	-8.7	0	0	0	112.5	K104 L105 I166 K170	K104-Y108 WeakPolarHBondContact O-CD1 3.48Å; K104-Y108 PolarHBondContact O-N 2.95Å; L105-Y108 PolarHBondContact O-N 3.34Å; Y108-I166 HydrophobicContact CD1-CD1 4.26Å; Y108-I166 HydrophobicContact CD2-CD1 4.41Å; Y108-I166 HydrophobicContact CE1-CG2 4.33Å; Y108-I166 HydrophobicContact CE2-CB 4.18Å; Y108-I166 HydrophobicContact CE2-CG2 3.98Å; Y108-I166 HydrophobicContact CG-CD1 4.23Å; Y108-K170 PolarHBondContact OH-NZ 3.08Å
109	Y	97.6	Very high	95.6	Very high	68 Å²	68	62.9 Å²	62.9	27%	0.267	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	4.9	178.4	-68.4	-72.6	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.33Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.39Å; L105-Y109 PolarHBondContact O-N 2.93Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.91Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.5Å; Y109-Y142 HydrophobicContact CE2-CD1 3.5Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.19Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.36Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.6Å; Y109-D161 PolarHBondContact OH-OD2 3.39Å; Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	96.4	Very high	95.7	Very high	154 Å²	154	63.5 Å²	63.5	82%	0.824	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	39.4	-177.9	-58.1	-55.9	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 2.93Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 3.44Å; G107-N110 PolarHBondContact O-OD1 2.75Å
111	Q	96.1	Very high	95.8	Very high	58 Å²	58	62 Å²	62	27%	0.271	33%	0.334	S	S	.	.			trans	-88	151.9	-176.2	-70.7	165.8	-32.1	0	0	112	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 WeakPolarHBondContact CG-O 3.44Å; R106-Q111 PolarHBondContact O-N 3.18Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Q111-H117 PolarHBondContact NE2-CE1 3.38Å; Q111-H117 PolarHBondContact OE1-CE1 3Å; Q111-H117 PolarHBondContact OE1-ND1 2.98Å; Q111-Y142 PolarHBondContact OE1-OH 2.94Å; Q111-D143 PolarHBondContact NE2-OD2 3.47Å
112	S	92.8	Very high	95.8	Very high	78 Å²	78	60.7 Å²	60.7	55%	0.545	33%	0.326	S	S	.	.			trans	-70.2	153.4	-179.3	78.6	0	0	0	0	112.8	A114 G115	S112-A114 PolarHBondContact O-N 2.98Å; S112-G115 PolarHBondContact O-N 3.36Å
113	E	87.6	Confident	95.9	Very high	136 Å²	136	61 Å²	61	64%	0.636	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-19.5	176.9	-56.5	-153.4	125.8	0	0	114.3	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.38Å; P39-E113 WeakPolarHBondContact CG-O 3.27Å; R106-E113 IonicContact CZ-OE1 3.94Å; R106-E113 IonicContact NH1-OE1 3.93Å; R106-E113 IonicContact NH2-OE1 3.96Å; R106-E113 PolarHBondContact NH2-OE1 3.4Å; E113-G115 VanDerWaalsContact C-N 3.29Å
114	A	88.6	Confident	96	Very high	89 Å²	89	55.1 Å²	55.1	74%	0.736	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.3	-179.9	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 2.98Å
115	G	91.2	Very high	96.1	Very high	22 Å²	22	50.4 Å²	50.4	23%	0.227	28%	0.284	C	S	.	.			trans	-73.2	136.8	-179.4	0	0	0	0	0	112.6	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.37Å; S112-G115 PolarHBondContact O-N 3.36Å; E113-G115 VanDerWaalsContact C-N 3.29Å; G115-H117 PolarHBondContact O-CD2 2.83Å; G115-H117 VanDerWaalsContact O-CD2 3.3Å
116	S	95.5	Very high	96.1	Very high	76 Å²	76	51 Å²	51	53%	0.531	29%	0.288	S	S	.	.			trans	-86.8	124.8	165.7	-179.9	0	0	0	0	108.9	S37	S37-S116 PolarHBondContact O-OG 2.94Å
117	H	97.4	Very high	96	Very high	15 Å²	15	48.4 Å²	48.4	7%	0.069	28%	0.278	C	S	.	.			trans	-119.7	153.8	179.5	-60.3	-75.4	0	0	0	112.1	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.32Å; S37-H117 PolarHBondContact N-O 3.08Å; S37-H117 PolarHBondContact OG-N 3.47Å; S37-H117 PolarHBondContact OG-O 3.48Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; Q111-H117 PolarHBondContact NE2-CE1 3.38Å; Q111-H117 PolarHBondContact OE1-CE1 3Å; Q111-H117 PolarHBondContact OE1-ND1 2.98Å; G115-H117 PolarHBondContact O-CD2 2.83Å; G115-H117 VanDerWaalsContact O-CD2 3.3Å; H117-Y142 HydrophobicContact CB-CE2 3.75Å; H117-Y142 WeakPolarHBondContact CB-OH 3.16Å; H117-Y142 AromaticContact CG-CZ 3.95Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.95Å; H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 WeakPolarHBondContact CB-OD1 3.33Å; H117-D143 IonicContact CE1-OD2 3.48Å; H117-D143 IonicContact CG-OD1 2.78Å; H117-D143 IonicContact CG-OD2 3.39Å; H117-D143 IonicContact ND1-OD1 3.82Å; H117-D143 IonicContact ND1-OD2 2.75Å; H117-D143 PolarHBondContact ND1-OD2 2.82Å
118	T	98.4	Very high	95.6	Very high	38 Å²	38	46.8 Å²	46.8	23%	0.233	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.2	-177.1	-59.3	0	0	0	0	110	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.08Å; A35-T118 WeakPolarHBondContact O-CA 3.4Å; V36-T118 HydrophobicContact CG2-CG2 4.21Å; T118-Q120 HydrophobicContact CG2-CG 3.93Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.45Å; T118-Y142 VanDerWaalsContact O-CD2 3.32Å; T118-Y142 WeakPolarHBondContact O-CD2 3.4Å; T118-D143 PolarHBondContact N-OD1 3.3Å; T118-D143 PolarHBondContact O-N 2.85Å
119	L	98.7	Very high	94.8	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.052	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.1	170.7	175.4	61.1	0	0	0	108.2	T34 A35 D98 N101 L102 L105 A141	T34-L119 WeakPolarHBondContact CA-O 3.33Å; A35-L119 HydrophobicContact CB-CB 4.44Å; A35-L119 PolarHBondContact N-O 2.97Å; A35-L119 PolarHBondContact O-N 3.29Å; D98-L119 HydrophobicContact CB-CD2 4.16Å; N101-L119 HydrophobicContact CB-CD2 3.74Å; L102-L119 HydrophobicContact CD2-CB 3.7Å; L102-L119 HydrophobicContact CG-CB 4.16Å; L105-L119 HydrophobicContact CD1-CD1 3.84Å; L105-L119 HydrophobicContact CD1-CD2 4.17Å; L105-L119 HydrophobicContact CD1-CG 4.46Å; L119-A141 WeakPolarHBondContact CD1-O 3.34Å
120	Q	98.8	Very high	93.8	Very high	78 Å²	78	51.9 Å²	51.9	36%	0.364	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.2	178	-66.6	170.5	-82.8	0	0	109.7	Y33 T34 T118 S140 A141	Y33-Q120 CarbonylContact O-C 3.51Å; Y33-Q120 VanDerWaalsContact O-CA 3.28Å; Y33-Q120 WeakPolarHBondContact O-CA 3.45Å; T34-Q120 HydrophobicContact CG2-CG 4.11Å; T118-Q120 HydrophobicContact CG2-CG 3.93Å; Q120-S140 CarbonylContact O-C 3.57Å; Q120-S140 WeakPolarHBondContact O-CA 3.32Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 3.36Å; Q120-A141 PolarHBondContact O-N 3.47Å
121	R	98.6	Very high	93	Very high	31 Å²	31	45.2 Å²	45.2	12%	0.117	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.7	174	-171.6	-177.3	-169.4	169.8	15.3	110.1	F32 Y33 Y123 D138 Q139	F32-R121 CarbonylContact C-O 3.55Å; F32-R121 WeakPolarHBondContact CA-O 3.28Å; Y33-R121 PolarHBondContact N-O 3.28Å; Y33-R121 PolarHBondContact O-N 3.06Å; R121-Y123 HydrophobicContact CG-CD1 4.48Å; R121-D138 IonicContact CZ-OD1 2.9Å; R121-D138 VanDerWaalsContact CZ-OD1 3.29Å; R121-D138 IonicContact CZ-OD2 3.07Å; R121-D138 IonicContact NE-OD1 3.48Å; R121-D138 PolarHBondContact NE-OD1 2.94Å; R121-D138 IonicContact NE-OD2 2.76Å; R121-D138 IonicContact NH2-OD1 3.5Å; R121-D138 PolarHBondContact NH2-OD1 2.91Å; R121-D138 IonicContact NH2-OD2 2.66Å; R121-D138 PolarHBondContact NH2-OD2 3.2Å; R121-Q139 CarbonylContact C-O 3.56Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.12Å
122	M	98.7	Very high	92.6	Very high	19 Å²	19	46 Å²	46	9%	0.094	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.7	168.2	-175.4	-78.3	-73.6	0	0	108.6	Y31 F32 Y137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.33Å; F32-M122 HydrophobicContact CD1-CB 3.93Å; F32-M122 HydrophobicContact CD1-CG 3.63Å; F32-M122 HydrophobicContact CE1-CB 4.07Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 3.96Å; M122-Y137 HydrophobicContact CE-CD1 4.09Å; M122-Y137 HydrophobicContact CE-CG 4.12Å; M122-Y137 HydrophobicContact SD-CG 4.5Å; M122-D138 WeakPolarHBondContact O-CA 3.12Å; M122-Q139 HydrophobicContact CB-CG 4.1Å; M122-Q139 VanDerWaalsContact CE-CD 3.48Å; M122-Q139 HydrophobicContact CE-CG 3.9Å; M122-Q139 PolarHBondContact N-O 2.82Å; M122-Q139 PolarHBondContact O-N 3.43Å
123	Y	98.7	Very high	92.7	Very high	16 Å²	16	44.6 Å²	44.6	6%	0.063	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	158.1	170.8	70.1	-90.9	0	0	0	110.3	Y31 Y33 R121 Y137 W180 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.41Å; Y31-Y123 HydrophobicContact CD2-CD2 4.35Å; Y31-Y123 AromaticContact CD2-CE2 3.53Å; Y31-Y123 HydrophobicContact CD2-CE2 3.53Å; Y31-Y123 AromaticContact CD2-CZ 3.74Å; Y31-Y123 HydrophobicContact CE2-CE2 4.32Å; Y31-Y123 HydrophobicContact CG-CE1 4.31Å; Y31-Y123 AromaticContact CG-CE2 3.94Å; Y31-Y123 HydrophobicContact CG-CE2 3.94Å; Y31-Y123 AromaticContact CG-CZ 3.64Å; Y31-Y123 PolarHBondContact N-O 2.6Å; Y31-Y123 PolarHBondContact O-N 3.13Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; Y33-Y123 HydrophobicContact CD2-CE1 4.12Å; Y33-Y123 HydrophobicContact CE1-CE1 4.11Å; Y33-Y123 AromaticContact CE2-CE1 3.52Å; Y33-Y123 HydrophobicContact CE2-CE1 3.52Å; Y33-Y123 AromaticContact CZ-CE1 3.54Å; Y33-Y123 AromaticContact CZ-CZ 3.89Å; Y33-Y123 PolarHBondContact OH-OH 3.15Å; R121-Y123 HydrophobicContact CG-CD1 4.48Å; Y123-Y137 WeakPolarHBondContact CA-O 3.36Å; Y123-Y137 VanDerWaalsContact CB-O 3.25Å; Y123-Y137 WeakPolarHBondContact CB-O 3.06Å; Y123-W180 HydrophobicContact CD2-CH2 4.42Å; Y123-W180 AromaticContact CD2-CZ3 3.89Å; Y123-W180 HydrophobicContact CD2-CZ3 3.89Å; Y123-W180 HydrophobicContact CE2-CZ3 4.47Å; Y123-W180 HydrophobicContact CG-CH2 4.3Å; Y123-W180 HydrophobicContact CG-CZ3 4Å; Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.87Å; Y123-Y183 HydrophobicContact CE2-CE1 3.87Å
124	G	98.4	Very high	93	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.1	-176.2	-177.4	0	0	0	0	0	114.1	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; G124-G136 CarbonylContact O-C 3.51Å; G124-Y137 PolarHBondContact N-O 3.19Å; G124-Y137 PolarHBondContact O-N 2.98Å; G124-L184 WeakPolarHBondContact O-CD2 3.13Å
125	C	98.1	Very high	93.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.6	-177.7	51.4	0	0	0	0	111.1	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.21Å; M29-C125 PolarHBondContact N-O 2.85Å; M29-C125 PolarHBondContact O-N 2.85Å; C125-L133 HydrophobicContact CB-CD1 3.52Å; C125-R135 CarbonylContact C-O 3.58Å; C125-R135 WeakPolarHBondContact CA-O 3.5Å; C125-C188 HydrophobicContact CB-CB 3.95Å; C125-C188 WeakPolarHBondContact CB-SG 3.48Å; C125-C188 PolarHBondContact N-SG 2.85Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 PolarHBondContact SG-O 3.31Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.87Å
126	D	96.8	Very high	93.6	Very high	21 Å²	21	43.4 Å²	43.4	11%	0.112	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.2	171.7	-58.7	-12.6	0	0	0	108.8	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.51Å; H27-D126 WeakPolarHBondContact O-CA 3.2Å; S28-D126 WeakPolarHBondContact CB-OD1 3.34Å; R30-D126 IonicContact CZ-OD1 3.62Å; R30-D126 IonicContact NE-OD1 3.54Å; R30-D126 PolarHBondContact NE-OD1 3Å; R30-D126 VanDerWaalsContact NE-OD1 3.14Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 2.82Å; R30-D126 PolarHBondContact NH2-OD1 2.84Å; R30-D126 IonicContact NH2-OD2 2.65Å; R30-D126 PolarHBondContact NH2-OD2 3.47Å; D126-L134 HydrophobicContact CB-CB 4.35Å; D126-L134 PolarHBondContact O-N 3.46Å; D126-R135 HydrophobicContact CB-CB 4.44Å; D126-R135 PolarHBondContact N-O 3.17Å; D126-R135 PolarHBondContact O-N 3.2Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.33Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D126-Y137 PolarHBondContact OD2-OH 3.46Å
127	L	94.4	Very high	93.8	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138.3	173.4	-55.5	-176.7	0	0	0	109.8	S26 H27 P132 V189 L192 R193 L196	S26-L127 WeakPolarHBondContact CA-O 3.39Å; S26-L127 WeakPolarHBondContact CB-O 3.05Å; H27-L127 PolarHBondContact N-O 3.2Å; H27-L127 PolarHBondContact O-N 3.17Å; L127-P132 WeakPolarHBondContact CA-O 3.15Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.77Å; L127-V189 HydrophobicContact CD2-CG2 3.8Å; L127-L192 HydrophobicContact CD1-CB 4.31Å; L127-L192 HydrophobicContact CD1-CD2 3.71Å; L127-L192 HydrophobicContact CD1-CG 3.75Å; L127-L192 HydrophobicContact CD2-CD2 4.41Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.2Å; L127-R193 HydrophobicContact CD1-CG 3.96Å; L127-L196 HydrophobicContact CD1-CD1 4.49Å
128	G	88.3	Confident	93.8	Very high	9 Å²	9	40.8 Å²	40.8	9%	0.093	22%	0.218	C	C	.	.			trans	-69.8	174.9	164.3	0	0	0	0	0	111.8	D130 G131 P132	G128-D130 VanDerWaalsContact C-N 3.26Å; G128-D130 PolarHBondContact O-N 3.15Å; G128-G131 WeakPolarHBondContact O-CA 3.4Å; G128-G131 PolarHBondContact O-N 3.24Å; G128-P132 PolarHBondContact N-O 3.07Å
129	P	80.6	Confident	93.8	Very high	78 Å²	78	42.8 Å²	42.8	51%	0.506	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-36.1	-176.9	-22.1	31.9	0	0	0	113.7	A24 G131	A24-P129 HydrophobicContact CB-CB 3.75Å; A24-P129 HydrophobicContact CB-CG 3.12Å; P129-G131 PolarHBondContact O-N 2.81Å
130	D	75.3	Confident	93.8	Very high	156 Å²	156	43.1 Å²	43.1	83%	0.834	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	5.9	179.3	-59.3	-47.3	0	0	0	113	G128 P132	G128-D130 VanDerWaalsContact C-N 3.26Å; G128-D130 PolarHBondContact O-N 3.15Å; D130-P132 WeakPolarHBondContact O-CD 3.1Å
131	G	79.1	Confident	93.8	Very high	15 Å²	15	40.2 Å²	40.2	16%	0.155	22%	0.218	C	C	.	.	S	Bend	trans	80.5	-0.2	-179	0	0	0	0	0	119.1	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.4Å; G128-G131 PolarHBondContact O-N 3.24Å; P129-G131 PolarHBondContact O-N 2.81Å; G131-R193 PolarHBondContact O-NE 3.29Å; G131-R193 PolarHBondContact O-NH2 3.28Å
132	P	88.6	Confident	93.8	Very high	74 Å²	74	39.2 Å²	39.2	48%	0.481	21%	0.214	S	C	.	.	S	Bend	trans	-72.5	157.4	172.8	32.5	-34.7	0	0	0	110.9	L127 G128 D130 L134	L127-P132 WeakPolarHBondContact CA-O 3.15Å; G128-P132 PolarHBondContact N-O 3.07Å; D130-P132 WeakPolarHBondContact O-CD 3.1Å; P132-L134 PolarHBondContact O-N 3.21Å; P132-L134 VanDerWaalsContact O-N 3.16Å
133	L	94	Very high	93.8	Very high	49 Å²	49	41.2 Å²	41.2	26%	0.257	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	119.3	171.7	-178.7	72.2	0	0	0	109.5	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.52Å; L133-R135 WeakPolarHBondContact CD1-O 2.84Å; L133-L154 HydrophobicContact CD2-CD1 4.14Å; L133-E185 HydrophobicContact CD2-CB 4.43Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 4.04Å
134	L	94.4	Very high	93.7	Very high	121 Å²	121	43.2 Å²	43.2	63%	0.634	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	-46.1	171.3	-179.3	63.8	0	0	0	110.5	D126 P132	D126-L134 HydrophobicContact CB-CB 4.35Å; D126-L134 PolarHBondContact O-N 3.46Å; P132-L134 PolarHBondContact O-N 3.21Å; P132-L134 VanDerWaalsContact O-N 3.16Å
135	R	95.5	Very high	93.7	Very high	94 Å²	94	50.9 Å²	50.9	36%	0.355	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	141.9	-176.9	-173	162.9	169.3	147.4	12.8	111.9	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.58Å; C125-R135 WeakPolarHBondContact CA-O 3.5Å; D126-R135 HydrophobicContact CB-CB 4.44Å; D126-R135 PolarHBondContact N-O 3.17Å; D126-R135 PolarHBondContact O-N 3.2Å; L133-R135 WeakPolarHBondContact CD1-O 2.84Å; R135-Y137 HydrophobicContact CB-CE2 4.05Å; R135-Y137 VanDerWaalsContact CD-CZ 3.45Å; R135-Y137 WeakPolarHBondContact CD-OH 3.25Å; R135-Y137 HydrophobicContact CG-CD2 4.44Å; R135-Y137 HydrophobicContact CG-CE1 4.03Å; R135-Y137 HydrophobicContact CG-CE2 3.74Å; R135-Y137 PolarHBondContact NE-OH 3.43Å; R135-E152 IonicContact CZ-OE1 3.83Å; R135-E152 VanDerWaalsContact NH1-CD 3.34Å; R135-E152 IonicContact NH1-OE1 3.8Å; R135-E152 PolarHBondContact NH1-OE1 2.91Å; R135-E152 VanDerWaalsContact NH2-CG 3.33Å; R135-E152 IonicContact NH2-OE1 3.64Å; R135-E152 PolarHBondContact NH2-OE1 2.62Å
136	G	97.7	Very high	93.7	Very high	6 Å²	6	57 Å²	57	6%	0.062	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	152	171.4	0	0	0	0	0	111.5	G124	G124-G136 CarbonylContact O-C 3.51Å
137	Y	98.3	Very high	93.8	Very high	35 Å²	35	56.5 Å²	56.5	14%	0.137	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.6	-178.2	-53.6	-97.2	0	0	0	110.7	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.29Å; R30-Y137 PolarHBondContact NH2-OH 3.21Å; M122-Y137 HydrophobicContact CE-CD1 4.09Å; M122-Y137 HydrophobicContact CE-CG 4.12Å; M122-Y137 HydrophobicContact SD-CG 4.5Å; Y123-Y137 WeakPolarHBondContact CA-O 3.36Å; Y123-Y137 VanDerWaalsContact CB-O 3.25Å; Y123-Y137 WeakPolarHBondContact CB-O 3.06Å; G124-Y137 PolarHBondContact N-O 3.19Å; G124-Y137 PolarHBondContact O-N 2.98Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.33Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D126-Y137 PolarHBondContact OD2-OH 3.46Å; R135-Y137 HydrophobicContact CB-CE2 4.05Å; R135-Y137 VanDerWaalsContact CD-CZ 3.45Å; R135-Y137 WeakPolarHBondContact CD-OH 3.25Å; R135-Y137 HydrophobicContact CG-CD2 4.44Å; R135-Y137 HydrophobicContact CG-CE1 4.03Å; R135-Y137 HydrophobicContact CG-CE2 3.74Å; R135-Y137 PolarHBondContact NE-OH 3.43Å
138	D	98.5	Very high	94.1	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	108.8	159.5	177.9	24.6	0	0	0	108.3	R121 M122 L150 W180	R121-D138 IonicContact CZ-OD1 2.9Å; R121-D138 VanDerWaalsContact CZ-OD1 3.29Å; R121-D138 IonicContact CZ-OD2 3.07Å; R121-D138 IonicContact NE-OD1 3.48Å; R121-D138 PolarHBondContact NE-OD1 2.94Å; R121-D138 IonicContact NE-OD2 2.76Å; R121-D138 IonicContact NH2-OD1 3.5Å; R121-D138 PolarHBondContact NH2-OD1 2.91Å; R121-D138 IonicContact NH2-OD2 2.66Å; R121-D138 PolarHBondContact NH2-OD2 3.2Å; M122-D138 WeakPolarHBondContact O-CA 3.12Å; D138-L150 HydrophobicContact CB-CB 4.07Å; D138-L150 HydrophobicContact CB-CD2 4.32Å; D138-L150 WeakPolarHBondContact O-CB 3.48Å; D138-L150 PolarHBondContact O-N 2.83Å; D138-W180 HydrophobicContact CB-CD2 4.33Å; D138-W180 HydrophobicContact CB-CE3 4.33Å; D138-W180 PolarHBondContact OD2-NE1 2.87Å
139	Q	98.6	Very high	94.6	Very high	81 Å²	81	57.5 Å²	57.5	38%	0.379	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	141.9	-176.8	62.3	-170.3	54	0	0	111	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.56Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.12Å; M122-Q139 HydrophobicContact CB-CG 4.1Å; M122-Q139 VanDerWaalsContact CE-CD 3.48Å; M122-Q139 HydrophobicContact CE-CG 3.9Å; M122-Q139 PolarHBondContact N-O 2.82Å; M122-Q139 PolarHBondContact O-N 3.43Å; Q139-I148 WeakPolarHBondContact CA-O 3.47Å; Q139-A149 HydrophobicContact CB-CB 3.87Å
140	S	98.7	Very high	95.4	Very high	16 Å²	16	54.5 Å²	54.5	11%	0.112	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.4	179	-58.3	0	0	0	0	111	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.57Å; Q120-S140 WeakPolarHBondContact O-CA 3.32Å; S140-Y147 WeakPolarHBondContact O-CB 3.19Å; S140-Y147 PolarHBondContact O-N 3.08Å; S140-I148 PolarHBondContact N-O 3.3Å; S140-I148 PolarHBondContact O-N 3.38Å
141	A	98.8	Very high	96.5	Very high	18 Å²	18	49.1 Å²	49.1	15%	0.149	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.3	175.7	0	0	0	0	0	110.4	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.34Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 3.36Å; Q120-A141 PolarHBondContact O-N 3.47Å; A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.47Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.37Å
142	Y	98.7	Very high	97.4	Very high	10 Å²	10	54.6 Å²	54.6	4%	0.039	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.8	177.6	-174	-120.9	0	0	0	110.3	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.07Å; L105-Y142 HydrophobicContact CB-CD1 4.35Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 3.99Å; L105-Y142 HydrophobicContact CB-CE2 3.83Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.6Å; L105-Y142 HydrophobicContact CD1-CE2 3.93Å; L105-Y142 HydrophobicContact CD1-CG 4.05Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.5Å; Y109-Y142 HydrophobicContact CE2-CD1 3.5Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Q111-Y142 PolarHBondContact OE1-OH 2.94Å; H117-Y142 HydrophobicContact CB-CE2 3.75Å; H117-Y142 WeakPolarHBondContact CB-OH 3.16Å; H117-Y142 AromaticContact CG-CZ 3.95Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.95Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.45Å; T118-Y142 VanDerWaalsContact O-CD2 3.32Å; T118-Y142 WeakPolarHBondContact O-CD2 3.4Å; Y142-G144 PolarHBondContact O-N 2.81Å; Y142-K145 PolarHBondContact N-O 3.5Å; Y142-K145 PolarHBondContact O-N 2.83Å
143	D	98.1	Very high	97.8	Very high	61 Å²	61	54.8 Å²	54.8	33%	0.326	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	39.6	-174.5	-65.8	-21.6	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.47Å; H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 WeakPolarHBondContact CB-OD1 3.33Å; H117-D143 IonicContact CE1-OD2 3.48Å; H117-D143 IonicContact CG-OD1 2.78Å; H117-D143 IonicContact CG-OD2 3.39Å; H117-D143 IonicContact ND1-OD1 3.82Å; H117-D143 IonicContact ND1-OD2 2.75Å; H117-D143 PolarHBondContact ND1-OD2 2.82Å; T118-D143 PolarHBondContact N-OD1 3.3Å; T118-D143 PolarHBondContact O-N 2.85Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.35Å
144	G	97.3	Very high	98	Very high	58 Å²	58	53 Å²	53	60%	0.598	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	8.8	177.9	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 2.81Å
145	K	98.4	Very high	98.1	Very high	161 Å²	161	55.2 Å²	55.2	70%	0.7	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.1	176.6	-62.4	-179.4	-178.2	178.9	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.47Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.37Å; Y142-K145 PolarHBondContact N-O 3.5Å; Y142-K145 PolarHBondContact O-N 2.83Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.35Å; K145-Y147 PolarHBondContact O-N 3.32Å
146	D	98.7	Very high	98.2	Very high	129 Å²	129	52.7 Å²	52.7	69%	0.69	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.2	136.4	174.6	-66	-21.8	0	0	0	110.8	A160	D146-A160 HydrophobicContact CB-CB 4.28Å; D146-A160 WeakPolarHBondContact O-CB 3.47Å
147	Y	98.8	Very high	98.3	Very high	10 Å²	10	52.9 Å²	52.9	4%	0.039	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-63.3	178.1	-179.9	-108.1	0	0	0	110.1	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.45Å; L105-Y147 HydrophobicContact CD2-CD2 4.09Å; L105-Y147 HydrophobicContact CD2-CE1 3.86Å; L105-Y147 HydrophobicContact CD2-CE2 3.42Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.42Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.47Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.19Å; S140-Y147 WeakPolarHBondContact O-CB 3.19Å; S140-Y147 PolarHBondContact O-N 3.08Å; K145-Y147 PolarHBondContact O-N 3.32Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 2.97Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; Y147-A163 PolarHBondContact OH-O 2.85Å; Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 HydrophobicContact CE1-CB 4.44Å; Y147-A164 HydrophobicContact CE2-CB 3.72Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.47Å; Y147-T167 HydrophobicContact CE1-CG2 4.22Å; Y147-T167 PolarHBondContact OH-OG1 2.91Å
148	I	98.8	Very high	98.3	Very high	5 Å²	5	55 Å²	55	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	142.2	180	-161.3	170.3	0	0	0	110.5	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.47Å; S140-I148 PolarHBondContact N-O 3.3Å; S140-I148 PolarHBondContact O-N 3.38Å; I148-W157 HydrophobicContact CD1-CB 4.27Å; I148-W157 HydrophobicContact CD1-CD2 4.48Å; I148-W157 HydrophobicContact CD1-CE3 4.3Å; I148-W157 HydrophobicContact CD1-CG 4.49Å; I148-W157 HydrophobicContact CG1-CB 4.32Å; I148-W157 HydrophobicContact CG1-CE3 4.1Å; I148-T158 WeakPolarHBondContact CA-O 2.96Å; I148-T167 HydrophobicContact CD1-CG2 3.99Å; I148-Q168 HydrophobicContact CD1-CB 3.96Å; I148-W171 HydrophobicContact CD1-CE3 3.88Å; I148-W171 HydrophobicContact CD1-CZ3 4.13Å; I148-W171 HydrophobicContact CG2-CE3 4.43Å; I148-W171 HydrophobicContact CG2-CH2 3.97Å; I148-W171 HydrophobicContact CG2-CZ3 3.64Å
149	A	98.8	Very high	98.3	Very high	30 Å²	30	56 Å²	56	25%	0.248	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.9	178.3	0	0	0	0	0	111.7	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.87Å; A149-W157 CarbonylContact O-C 3.48Å; A149-W157 WeakPolarHBondContact O-CA 3.25Å; A149-T158 PolarHBondContact N-O 3.29Å; A149-T158 PolarHBondContact O-N 3.03Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	55 Å²	55	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.8	169	-175.1	65.5	0	0	0	108.6	D138 L154 W157 A177 W180 L184	D138-L150 HydrophobicContact CB-CB 4.07Å; D138-L150 HydrophobicContact CB-CD2 4.32Å; D138-L150 WeakPolarHBondContact O-CB 3.48Å; D138-L150 PolarHBondContact O-N 2.83Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.05Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.17Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.91Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; L150-W157 HydrophobicContact CG-CZ3 4.45Å; L150-A177 HydrophobicContact CD1-CB 3.99Å; L150-W180 HydrophobicContact CD2-CB 4.02Å; L150-L184 HydrophobicContact CD2-CD1 3.9Å
151	N	98.5	Very high	98.3	Very high	43 Å²	43	56.8 Å²	56.8	23%	0.23	32%	0.315	C	S	.	.			trans	-73.1	162	179.6	-67.8	-28.9	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.94Å; N151-L154 PolarHBondContact O-N 2.76Å; N151-S156 WeakPolarHBondContact CB-O 3.38Å; N151-S156 WeakPolarHBondContact CB-OG 3.2Å; N151-S156 PolarHBondContact N-O 3.5Å; N151-S156 PolarHBondContact ND2-OG 3.16Å; N151-T158 PolarHBondContact ND2-OG1 3.36Å; N151-T158 WeakPolarHBondContact OD1-CB 3.49Å; N151-T158 PolarHBondContact OD1-OG1 2.93Å
152	E	97.3	Very high	98.3	Very high	131 Å²	131	61.2 Å²	61.2	61%	0.612	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-21.8	-179.9	-65.8	178.6	-167.2	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 3.83Å; R135-E152 VanDerWaalsContact NH1-CD 3.34Å; R135-E152 IonicContact NH1-OE1 3.8Å; R135-E152 PolarHBondContact NH1-OE1 2.91Å; R135-E152 VanDerWaalsContact NH2-CG 3.33Å; R135-E152 IonicContact NH2-OE1 3.64Å; R135-E152 PolarHBondContact NH2-OE1 2.62Å; E152-L154 PolarHBondContact O-N 2.86Å
153	D	97.2	Very high	98.2	Very high	78 Å²	78	61 Å²	61	42%	0.417	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-8.6	174.4	70.2	4.3	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.94Å; D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.46Å; D153-R155 PolarHBondContact O-N 2.7Å; D153-R155 PolarHBondContact OD1-N 3.45Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.63Å; D153-S156 PolarHBondContact OD1-OG 2.93Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.42Å; D153-S156 PolarHBondContact OD2-OG 3.34Å
154	L	97.9	Very high	98.2	Very high	10 Å²	10	58.1 Å²	58.1	5%	0.052	33%	0.325	C	S	.	.	S	Bend	trans	52.9	28.8	-174.9	-53.3	-179	0	0	0	113.5	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.14Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; N151-L154 PolarHBondContact O-N 2.76Å; E152-L154 PolarHBondContact O-N 2.86Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.92Å; L154-R181 HydrophobicContact CD1-CG 4.23Å; L154-L184 HydrophobicContact CD2-CD1 3.98Å; L154-E185 HydrophobicContact CD1-CG 4.31Å
155	R	97.5	Very high	98.3	Very high	169 Å²	169	58.9 Å²	58.9	64%	0.638	31%	0.313	S	S	*	.	S	Bend	trans	-134.9	-30.7	-174.1	-70.5	171.2	-171.1	-140.5	6.8	112.9	D153 A177 R181	D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.46Å; D153-R155 PolarHBondContact O-N 2.7Å; D153-R155 PolarHBondContact OD1-N 3.45Å; R155-A177 WeakPolarHBondContact O-CB 3.38Å; R155-R181 VanDerWaalsContact NH2-NH1 3.13Å
156	S	97.9	Very high	98.3	Very high	41 Å²	41	54 Å²	54	29%	0.287	29%	0.294	S	S	.	.			trans	-118.4	162.5	-176.9	63.5	0	0	0	0	111.8	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.38Å; N151-S156 WeakPolarHBondContact CB-OG 3.2Å; N151-S156 PolarHBondContact N-O 3.5Å; N151-S156 PolarHBondContact ND2-OG 3.16Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.63Å; D153-S156 PolarHBondContact OD1-OG 2.93Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.42Å; D153-S156 PolarHBondContact OD2-OG 3.34Å
157	W	98.7	Very high	98.3	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.038	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144.6	-178.1	-61.2	92.8	0	0	0	110.7	I148 A149 L150 Q168 W171 E176 A177	I148-W157 HydrophobicContact CD1-CB 4.27Å; I148-W157 HydrophobicContact CD1-CD2 4.48Å; I148-W157 HydrophobicContact CD1-CE3 4.3Å; I148-W157 HydrophobicContact CD1-CG 4.49Å; I148-W157 HydrophobicContact CG1-CB 4.32Å; I148-W157 HydrophobicContact CG1-CE3 4.1Å; A149-W157 CarbonylContact O-C 3.48Å; A149-W157 WeakPolarHBondContact O-CA 3.25Å; L150-W157 HydrophobicContact CB-CE3 3.98Å; L150-W157 HydrophobicContact CB-CH2 4.05Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.17Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.91Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; L150-W157 HydrophobicContact CG-CZ3 4.45Å; W157-Q168 HydrophobicContact CB-CG 4.16Å; W157-Q168 PolarHBondContact O-NE2 3.38Å; W157-W171 AromaticContact CD2-CE3 3.81Å; W157-W171 HydrophobicContact CD2-CE3 3.81Å; W157-W171 HydrophobicContact CD2-CZ3 4.33Å; W157-W171 AromaticContact CE2-CE3 3.7Å; W157-W171 AromaticContact CE3-CE3 3.71Å; W157-W171 HydrophobicContact CE3-CE3 3.71Å; W157-W171 AromaticContact CE3-CZ3 3.75Å; W157-W171 HydrophobicContact CE3-CZ3 3.75Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CH2 4.46Å; W157-W171 AromaticContact CH2-CZ3 3.41Å; W157-W171 HydrophobicContact CH2-CZ3 3.41Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.41Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.53Å; W157-W171 HydrophobicContact CZ2-CE3 3.53Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CH2 4.45Å; W157-W171 AromaticContact CZ3-CZ3 3.27Å; W157-W171 HydrophobicContact CZ3-CZ3 3.27Å; W157-E176 HydrophobicContact CZ2-CB 4.37Å; W157-A177 HydrophobicContact CZ2-CB 4.31Å
158	T	98.7	Very high	98.3	Very high	78 Å²	78	50.1 Å²	50.1	48%	0.479	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.7	166.4	-67	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 2.96Å; A149-T158 PolarHBondContact N-O 3.29Å; A149-T158 PolarHBondContact O-N 3.03Å; N151-T158 PolarHBondContact ND2-OG1 3.36Å; N151-T158 WeakPolarHBondContact OD1-CB 3.49Å; N151-T158 PolarHBondContact OD1-OG1 2.93Å
159	A	98.7	Very high	98.3	Very high	23 Å²	23	57.3 Å²	57.3	19%	0.19	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.6	174.8	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.73Å; A159-Q165 HydrophobicContact CB-CG 3.96Å; A159-Q168 HydrophobicContact CB-CB 4.38Å
160	A	98.5	Very high	98.2	Very high	60 Å²	60	61.1 Å²	61.1	50%	0.496	31%	0.311	S	S	.	.	S	Bend	trans	-74.7	-30.5	-176.6	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.28Å; D146-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 2.97Å
161	D	98.3	Very high	98.2	Very high	53 Å²	53	62.4 Å²	62.4	28%	0.283	32%	0.315	S	S	.	.	S	Bend	trans	-151	-176.1	-178.5	67.2	30.3	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.36Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.6Å; Y109-D161 PolarHBondContact OH-OD2 3.39Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.84Å; D161-A163 WeakPolarHBondContact OD1-CA 3.25Å; D161-A163 WeakPolarHBondContact OD1-CB 3.28Å; D161-A163 PolarHBondContact OD1-N 3.29Å; D161-A164 PolarHBondContact O-N 3.48Å; D161-A164 PolarHBondContact OD1-N 3.13Å; D161-Q165 WeakPolarHBondContact O-CG 3.2Å; D161-Q165 PolarHBondContact O-N 3.25Å
162	T	98.1	Very high	98.2	Very high	112 Å²	112	64.9 Å²	64.9	69%	0.687	33%	0.325	S	S	*	.	H	α-helix	trans	-65.3	-27.5	-179.3	51.9	0	0	0	0	114
163	A	98	Very high	98.3	Very high	5 Å²	5	62.9 Å²	62.9	4%	0.041	33%	0.331	C	S	.	.	H	α-helix	trans	-73.5	-43.7	175.4	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; Y147-A163 PolarHBondContact OH-O 2.85Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.84Å; D161-A163 WeakPolarHBondContact OD1-CA 3.25Å; D161-A163 WeakPolarHBondContact OD1-CB 3.28Å; D161-A163 PolarHBondContact OD1-N 3.29Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.91Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.44Å; A163-I166 PolarHBondContact O-N 3.41Å
164	A	98.4	Very high	98.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.6	-34.2	174	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 HydrophobicContact CE1-CB 4.44Å; Y147-A164 HydrophobicContact CE2-CB 3.72Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.47Å; A159-A164 HydrophobicContact CB-CB 3.73Å; D161-A164 PolarHBondContact O-N 3.48Å; D161-A164 PolarHBondContact OD1-N 3.13Å; A164-I166 PolarHBondContact O-N 3.05Å; A164-T167 WeakPolarHBondContact O-CA 3.39Å; A164-T167 WeakPolarHBondContact O-CB 3.32Å; A164-T167 PolarHBondContact O-N 3.33Å; A164-Q168 PolarHBondContact O-N 2.97Å
165	Q	98.7	Very high	98.3	Very high	74 Å²	74	68.6 Å²	68.6	35%	0.346	36%	0.358	S	S	.	.	H	α-helix	trans	-59.4	-27.4	173.2	-73.1	175	12.6	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.96Å; D161-Q165 WeakPolarHBondContact O-CG 3.2Å; D161-Q165 PolarHBondContact O-N 3.25Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.91Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.33Å; Q165-R169 PolarHBondContact O-N 2.98Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.3	Very high	98.3	Very high	59 Å²	59	63 Å²	63	30%	0.303	34%	0.339	S	S	.	.	H	α-helix	trans	-67.3	-43	174.1	-57.2	170.6	0	0	0	110	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.26Å; Y108-I166 HydrophobicContact CD2-CD1 4.41Å; Y108-I166 HydrophobicContact CE1-CG2 4.33Å; Y108-I166 HydrophobicContact CE2-CB 4.18Å; Y108-I166 HydrophobicContact CE2-CG2 3.98Å; Y108-I166 HydrophobicContact CG-CD1 4.23Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.44Å; A163-I166 PolarHBondContact O-N 3.41Å; A164-I166 PolarHBondContact O-N 3.05Å; I166-K170 WeakPolarHBondContact O-CG 3.28Å; I166-K170 PolarHBondContact O-N 2.85Å
167	T	98.3	Very high	98.3	Very high	19 Å²	19	61.4 Å²	61.4	12%	0.117	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-46.7	174.4	-69.1	0	0	0	0	111	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.22Å; Y147-T167 PolarHBondContact OH-OG1 2.91Å; I148-T167 HydrophobicContact CD1-CG2 3.99Å; A164-T167 WeakPolarHBondContact O-CA 3.39Å; A164-T167 WeakPolarHBondContact O-CB 3.32Å; A164-T167 PolarHBondContact O-N 3.33Å; T167-R169 PolarHBondContact O-N 3.18Å; T167-K170 WeakPolarHBondContact O-CB 3.43Å; T167-K170 PolarHBondContact O-N 2.8Å; T167-W171 HydrophobicContact CG2-CD2 3.63Å; T167-W171 VanDerWaalsContact CG2-CE2 3.5Å; T167-W171 HydrophobicContact CG2-CE3 4.11Å; T167-W171 HydrophobicContact CG2-CG 4.02Å; T167-W171 HydrophobicContact CG2-CH2 4.35Å; T167-W171 HydrophobicContact CG2-CZ2 3.9Å; T167-W171 HydrophobicContact CG2-CZ3 4.43Å; T167-W171 PolarHBondContact O-N 2.81Å
168	Q	98.6	Very high	98.3	Very high	39 Å²	39	65.6 Å²	65.6	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-50.7	-53.2	178	175.4	175	13.6	0	0	111.9	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.96Å; W157-Q168 HydrophobicContact CB-CG 4.16Å; W157-Q168 PolarHBondContact O-NE2 3.38Å; A159-Q168 HydrophobicContact CB-CB 4.38Å; A164-Q168 PolarHBondContact O-N 2.97Å; Q168-K170 PolarHBondContact O-N 2.86Å; Q168-W171 PolarHBondContact O-N 2.84Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.41Å; Q168-E172 PolarHBondContact NE2-OE1 2.9Å; Q168-E172 WeakPolarHBondContact O-CB 3.47Å; Q168-E172 WeakPolarHBondContact O-CG 3.28Å; Q168-E172 PolarHBondContact O-N 3.33Å
169	R	98.6	Very high	98.3	Very high	156 Å²	156	68.3 Å²	68.3	59%	0.589	36%	0.355	S	S	*	.	H	α-helix	trans	-59.7	-35.2	-179.9	-68.5	171.2	-165	153.4	8.8	112.8	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.33Å; Q165-R169 PolarHBondContact O-N 2.98Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 3.18Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.37Å; R169-A173 PolarHBondContact O-N 2.86Å; R169-A173 VanDerWaalsContact O-N 3.07Å
170	K	98.1	Very high	98.2	Very high	109 Å²	109	69.1 Å²	69.1	47%	0.474	35%	0.354	S	S	.	.	H	α-helix	trans	-69.8	-44.4	176.9	-71.3	174.8	179.6	-178	0	111.5	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.08Å; I166-K170 WeakPolarHBondContact O-CG 3.28Å; I166-K170 PolarHBondContact O-N 2.85Å; T167-K170 WeakPolarHBondContact O-CB 3.43Å; T167-K170 PolarHBondContact O-N 2.8Å; Q168-K170 PolarHBondContact O-N 2.86Å; K170-A173 PolarHBondContact O-N 2.99Å; K170-A174 WeakPolarHBondContact O-CB 3.32Å; K170-A174 PolarHBondContact O-N 3.26Å
171	W	98.3	Very high	98.2	Very high	42 Å²	42	69.9 Å²	69.9	16%	0.159	34%	0.344	C	S	.	.	H	α-helix	trans	-67.7	-38.2	179.7	-73.4	2.8	0	0	0	112.1	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.88Å; I148-W171 HydrophobicContact CD1-CZ3 4.13Å; I148-W171 HydrophobicContact CG2-CE3 4.43Å; I148-W171 HydrophobicContact CG2-CH2 3.97Å; I148-W171 HydrophobicContact CG2-CZ3 3.64Å; W157-W171 AromaticContact CD2-CE3 3.81Å; W157-W171 HydrophobicContact CD2-CE3 3.81Å; W157-W171 HydrophobicContact CD2-CZ3 4.33Å; W157-W171 AromaticContact CE2-CE3 3.7Å; W157-W171 AromaticContact CE3-CE3 3.71Å; W157-W171 HydrophobicContact CE3-CE3 3.71Å; W157-W171 AromaticContact CE3-CZ3 3.75Å; W157-W171 HydrophobicContact CE3-CZ3 3.75Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CH2 4.46Å; W157-W171 AromaticContact CH2-CZ3 3.41Å; W157-W171 HydrophobicContact CH2-CZ3 3.41Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.41Å; W157-W171 HydrophobicContact CZ2-CD2 4.39Å; W157-W171 AromaticContact CZ2-CE3 3.53Å; W157-W171 HydrophobicContact CZ2-CE3 3.53Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CH2 4.45Å; W157-W171 AromaticContact CZ3-CZ3 3.27Å; W157-W171 HydrophobicContact CZ3-CZ3 3.27Å; T167-W171 HydrophobicContact CG2-CD2 3.63Å; T167-W171 VanDerWaalsContact CG2-CE2 3.5Å; T167-W171 HydrophobicContact CG2-CE3 4.11Å; T167-W171 HydrophobicContact CG2-CG 4.02Å; T167-W171 HydrophobicContact CG2-CH2 4.35Å; T167-W171 HydrophobicContact CG2-CZ2 3.9Å; T167-W171 HydrophobicContact CG2-CZ3 4.43Å; T167-W171 PolarHBondContact O-N 2.81Å; Q168-W171 PolarHBondContact O-N 2.84Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; W171-A174 CarbonylContact O-C 3.51Å; W171-A174 PolarHBondContact O-N 2.72Å; W171-R175 PolarHBondContact O-N 3.23Å; W171-E176 HydrophobicContact CB-CB 4.1Å; W171-E176 HydrophobicContact CB-CG 4.23Å; W171-E176 HydrophobicContact CG-CB 4.29Å; W171-E176 HydrophobicContact CG-CG 4.2Å; W171-E176 VanDerWaalsContact NE1-CD 3.31Å; W171-E176 PolarHBondContact NE1-OE1 2.83Å; W171-E176 VanDerWaalsContact NE1-OE1 3.09Å; W171-E176 PolarHBondContact NE1-OE2 2.99Å; W171-E176 VanDerWaalsContact NE1-OE2 3.14Å; W171-E176 PolarHBondContact O-N 2.85Å
172	E	98.4	Very high	98.2	Very high	94 Å²	94	70.5 Å²	70.5	44%	0.439	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-47.7	171.8	-72.9	169.6	173.5	0	0	111.3	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.41Å; Q168-E172 PolarHBondContact NE2-OE1 2.9Å; Q168-E172 WeakPolarHBondContact O-CB 3.47Å; Q168-E172 WeakPolarHBondContact O-CG 3.28Å; Q168-E172 PolarHBondContact O-N 3.33Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.23Å; E172-R175 PolarHBondContact O-N 3.18Å; E172-R175 VanDerWaalsContact O-N 3.07Å
173	A	98.4	Very high	98.2	Very high	90 Å²	90	67 Å²	67	74%	0.744	33%	0.33	S	S	*	.	H	α-helix	trans	-62.3	-33	177	0	0	0	0	0	112.9	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.37Å; R169-A173 PolarHBondContact O-N 2.86Å; R169-A173 VanDerWaalsContact O-N 3.07Å; K170-A173 PolarHBondContact O-N 2.99Å
174	A	98.1	Very high	98.2	Very high	53 Å²	53	66.8 Å²	66.8	44%	0.438	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.3	176.6	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.32Å; K170-A174 PolarHBondContact O-N 3.26Å; W171-A174 CarbonylContact O-C 3.51Å; W171-A174 PolarHBondContact O-N 2.72Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.23Å; A174-E176 HydrophobicContact CB-CG 4Å; A174-E176 PolarHBondContact O-N 2.85Å
175	R	97.8	Very high	98.2	Very high	154 Å²	154	71.1 Å²	71.1	58%	0.581	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	39.2	-176.2	-56.8	175.2	73.1	-171.1	1.6	112.8	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 3.23Å; E172-R175 PolarHBondContact O-N 3.18Å; E172-R175 VanDerWaalsContact O-N 3.07Å; R175-A177 PolarHBondContact O-N 2.82Å; R175-E178 HydrophobicContact CB-CG 4.49Å; R175-E178 VanDerWaalsContact CZ-CD 3.44Å; R175-E178 IonicContact CZ-OE1 3.36Å; R175-E178 IonicContact CZ-OE2 3.5Å; R175-E178 IonicContact NE-OE1 2.94Å; R175-E178 PolarHBondContact NE-OE1 2.82Å; R175-E178 IonicContact NE-OE2 2.79Å; R175-E178 PolarHBondContact NE-OE2 3.06Å; R175-E178 VanDerWaalsContact NE-OE2 3.08Å; R175-E178 IonicContact NH1-OE2 3.56Å; R175-E178 IonicContact NH2-OE1 3.31Å; R175-E178 PolarHBondContact NH2-OE1 2.88Å; R175-E178 IonicContact NH2-OE2 3.44Å; R175-E178 PolarHBondContact NH2-OE2 3.28Å; R175-E178 PolarHBondContact O-N 2.66Å; R175-E178 VanDerWaalsContact O-N 3.13Å
176	E	98	Very high	98.1	Very high	52 Å²	52	68.7 Å²	68.7	24%	0.243	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-31.3	-176.7	-69.6	-161.5	-157.7	0	0	112.9	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.37Å; W171-E176 HydrophobicContact CB-CB 4.1Å; W171-E176 HydrophobicContact CB-CG 4.23Å; W171-E176 HydrophobicContact CG-CB 4.29Å; W171-E176 HydrophobicContact CG-CG 4.2Å; W171-E176 VanDerWaalsContact NE1-CD 3.31Å; W171-E176 PolarHBondContact NE1-OE1 2.83Å; W171-E176 VanDerWaalsContact NE1-OE1 3.09Å; W171-E176 PolarHBondContact NE1-OE2 2.99Å; W171-E176 VanDerWaalsContact NE1-OE2 3.14Å; W171-E176 PolarHBondContact O-N 2.85Å; A174-E176 HydrophobicContact CB-CG 4Å; A174-E176 PolarHBondContact O-N 2.85Å; E176-E178 PolarHBondContact O-N 3.12Å; E176-Q179 PolarHBondContact O-N 2.88Å; E176-Q179 VanDerWaalsContact O-N 3.12Å; E176-W180 PolarHBondContact O-N 3.27Å; E176-W180 VanDerWaalsContact O-N 3.09Å
177	A	98.3	Very high	98	Very high	7 Å²	7	70.4 Å²	70.4	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-57.8	-33.2	176.7	0	0	0	0	0	112.5	L150 R155 W157 R175 W180 R181	L150-A177 HydrophobicContact CD1-CB 3.99Å; R155-A177 WeakPolarHBondContact O-CB 3.38Å; W157-A177 HydrophobicContact CZ2-CB 4.31Å; R175-A177 PolarHBondContact O-N 2.82Å; A177-W180 PolarHBondContact O-N 3.33Å; A177-R181 VanDerWaalsContact O-CB 3.23Å; A177-R181 WeakPolarHBondContact O-CB 3.46Å; A177-R181 PolarHBondContact O-N 2.81Å
178	E	98.1	Very high	98	Very high	99 Å²	99	69.5 Å²	69.5	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-71.1	-35.3	179.2	-65.2	175.4	-167.1	0	0	112.3	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.49Å; R175-E178 VanDerWaalsContact CZ-CD 3.44Å; R175-E178 IonicContact CZ-OE1 3.36Å; R175-E178 IonicContact CZ-OE2 3.5Å; R175-E178 IonicContact NE-OE1 2.94Å; R175-E178 PolarHBondContact NE-OE1 2.82Å; R175-E178 IonicContact NE-OE2 2.79Å; R175-E178 PolarHBondContact NE-OE2 3.06Å; R175-E178 VanDerWaalsContact NE-OE2 3.08Å; R175-E178 IonicContact NH1-OE2 3.56Å; R175-E178 IonicContact NH2-OE1 3.31Å; R175-E178 PolarHBondContact NH2-OE1 2.88Å; R175-E178 IonicContact NH2-OE2 3.44Å; R175-E178 PolarHBondContact NH2-OE2 3.28Å; R175-E178 PolarHBondContact O-N 2.66Å; R175-E178 VanDerWaalsContact O-N 3.13Å; E176-E178 PolarHBondContact O-N 3.12Å; E178-A182 WeakPolarHBondContact O-CB 3.48Å; E178-A182 PolarHBondContact O-N 2.87Å
179	Q	97.4	Very high	97.9	Very high	134 Å²	134	68 Å²	68	63%	0.626	34%	0.338	S	S	*	.	H	α-helix	trans	-67.7	-44.3	175.2	-60.5	-180	24.7	0	0	110.5	E176 A182 Y183	E176-Q179 PolarHBondContact O-N 2.88Å; E176-Q179 VanDerWaalsContact O-N 3.12Å; Q179-A182 PolarHBondContact O-N 3.28Å; Q179-Y183 PolarHBondContact O-N 3.12Å
180	W	98.1	Very high	97.8	Very high	41 Å²	41	66.6 Å²	66.6	16%	0.155	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-43.1	176	-80.2	105.7	0	0	0	112.2	Y123 D138 L150 E176 A177 A182 Y183 L184	Y123-W180 HydrophobicContact CD2-CH2 4.42Å; Y123-W180 AromaticContact CD2-CZ3 3.89Å; Y123-W180 HydrophobicContact CD2-CZ3 3.89Å; Y123-W180 HydrophobicContact CE2-CZ3 4.47Å; Y123-W180 HydrophobicContact CG-CH2 4.3Å; Y123-W180 HydrophobicContact CG-CZ3 4Å; D138-W180 HydrophobicContact CB-CD2 4.33Å; D138-W180 HydrophobicContact CB-CE3 4.33Å; D138-W180 PolarHBondContact OD2-NE1 2.87Å; L150-W180 HydrophobicContact CD2-CB 4.02Å; E176-W180 PolarHBondContact O-N 3.27Å; E176-W180 VanDerWaalsContact O-N 3.09Å; A177-W180 PolarHBondContact O-N 3.33Å; W180-A182 VanDerWaalsContact C-N 3.34Å; W180-A182 PolarHBondContact O-N 2.87Å; W180-Y183 AromaticContact CE3-CD1 3.98Å; W180-Y183 HydrophobicContact CE3-CD1 3.98Å; W180-Y183 AromaticContact CZ3-CD1 3.81Å; W180-Y183 HydrophobicContact CZ3-CD1 3.81Å; W180-Y183 HydrophobicContact CZ3-CE1 4.15Å; W180-Y183 PolarHBondContact O-N 3Å; W180-L184 HydrophobicContact CB-CD1 4.49Å; W180-L184 VanDerWaalsContact O-CB 3.3Å; W180-L184 WeakPolarHBondContact O-CB 3.36Å; W180-L184 WeakPolarHBondContact O-CG 3.43Å; W180-L184 PolarHBondContact O-N 3.2Å
181	R	98.3	Very high	97.8	Very high	76 Å²	76	63.5 Å²	63.5	29%	0.287	32%	0.323	S	S	.	.	H	α-helix	trans	-58.3	-46	174.5	-174.8	172.7	-179	-143.1	-13.2	112	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.92Å; L154-R181 HydrophobicContact CD1-CG 4.23Å; R155-R181 VanDerWaalsContact NH2-NH1 3.13Å; A177-R181 VanDerWaalsContact O-CB 3.23Å; A177-R181 WeakPolarHBondContact O-CB 3.46Å; A177-R181 PolarHBondContact O-N 2.81Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.82Å; R181-L184 PolarHBondContact O-N 3.42Å; R181-E185 HydrophobicContact CG-CG 4.15Å; R181-E185 IonicContact CZ-OE1 2.85Å; R181-E185 VanDerWaalsContact CZ-OE1 3.31Å; R181-E185 IonicContact CZ-OE2 2.78Å; R181-E185 IonicContact NE-OE1 3.08Å; R181-E185 PolarHBondContact NE-OE1 2.95Å; R181-E185 IonicContact NE-OE2 3.01Å; R181-E185 PolarHBondContact NE-OE2 2.83Å; R181-E185 IonicContact NH2-OE1 3.85Å; R181-E185 PolarHBondContact NH2-OE1 2.77Å; R181-E185 IonicContact NH2-OE2 3.77Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 WeakPolarHBondContact O-CG 3.48Å; R181-E185 PolarHBondContact O-N 2.85Å
182	A	98.3	Very high	97.7	Very high	65 Å²	65	61.5 Å²	61.5	54%	0.537	32%	0.316	S	S	.	.	H	α-helix	trans	-61.4	-41	177.5	0	0	0	0	0	112.5	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.48Å; E178-A182 PolarHBondContact O-N 2.87Å; Q179-A182 PolarHBondContact O-N 3.28Å; W180-A182 VanDerWaalsContact C-N 3.34Å; W180-A182 PolarHBondContact O-N 2.87Å; A182-G186 PolarHBondContact O-N 3.01Å; A182-G186 VanDerWaalsContact O-N 3.09Å
183	Y	97.9	Very high	97.6	Very high	39 Å²	39	63 Å²	63	15%	0.153	32%	0.318	C	S	.	.	H	α-helix	trans	-65.5	-46.7	174.6	170.6	-100.4	0	0	0	112.3	Y123 Q179 W180 R181 G186 E187 C188	Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.87Å; Y123-Y183 HydrophobicContact CE2-CE1 3.87Å; Q179-Y183 PolarHBondContact O-N 3.12Å; W180-Y183 AromaticContact CE3-CD1 3.98Å; W180-Y183 HydrophobicContact CE3-CD1 3.98Å; W180-Y183 AromaticContact CZ3-CD1 3.81Å; W180-Y183 HydrophobicContact CZ3-CD1 3.81Å; W180-Y183 HydrophobicContact CZ3-CE1 4.15Å; W180-Y183 PolarHBondContact O-N 3Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.82Å; Y183-G186 CarbonylContact O-C 3.53Å; Y183-G186 PolarHBondContact O-N 2.73Å; Y183-E187 HydrophobicContact CD2-CB 3.75Å; Y183-E187 HydrophobicContact CE2-CB 3.92Å; Y183-E187 PolarHBondContact O-N 3.01Å; Y183-E187 VanDerWaalsContact O-N 3.16Å; Y183-C188 HydrophobicContact CD1-CB 4.39Å; Y183-C188 HydrophobicContact CE1-CB 3.95Å; Y183-C188 WeakPolarHBondContact O-CB 3.32Å; Y183-C188 PolarHBondContact O-N 2.71Å
184	L	98.3	Very high	97.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-71.1	-38.4	-174.8	-69.7	170.3	0	0	0	112.6	G124 L150 L154 W180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.13Å; L150-L184 HydrophobicContact CD2-CD1 3.9Å; L154-L184 HydrophobicContact CD2-CD1 3.98Å; W180-L184 HydrophobicContact CB-CD1 4.49Å; W180-L184 VanDerWaalsContact O-CB 3.3Å; W180-L184 WeakPolarHBondContact O-CB 3.36Å; W180-L184 WeakPolarHBondContact O-CG 3.43Å; W180-L184 PolarHBondContact O-N 3.2Å; R181-L184 PolarHBondContact O-N 3.42Å; L184-V189 WeakPolarHBondContact O-CG2 3.36Å
185	E	97	Very high	97.4	Very high	92 Å²	92	62.1 Å²	62.1	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-79.9	-20.9	176	-68.2	178.8	166.9	0	0	112.8	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.43Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L154-E185 HydrophobicContact CD1-CG 4.31Å; R181-E185 HydrophobicContact CG-CG 4.15Å; R181-E185 IonicContact CZ-OE1 2.85Å; R181-E185 VanDerWaalsContact CZ-OE1 3.31Å; R181-E185 IonicContact CZ-OE2 2.78Å; R181-E185 IonicContact NE-OE1 3.08Å; R181-E185 PolarHBondContact NE-OE1 2.95Å; R181-E185 IonicContact NE-OE2 3.01Å; R181-E185 PolarHBondContact NE-OE2 2.83Å; R181-E185 IonicContact NH2-OE1 3.85Å; R181-E185 PolarHBondContact NH2-OE1 2.77Å; R181-E185 IonicContact NH2-OE2 3.77Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 WeakPolarHBondContact O-CG 3.48Å; R181-E185 PolarHBondContact O-N 2.85Å
186	G	96.6	Very high	97.2	Very high	22 Å²	22	55.5 Å²	55.5	23%	0.227	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-96.5	-176.8	0	0	0	0	0	113	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.01Å; A182-G186 VanDerWaalsContact O-N 3.09Å; Y183-G186 CarbonylContact O-C 3.53Å; Y183-G186 PolarHBondContact O-N 2.73Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 2.76Å; G186-C188 VanDerWaalsContact O-N 3.16Å; G186-V189 PolarHBondContact O-N 3.13Å; G186-V189 VanDerWaalsContact O-N 3.08Å; G186-E190 PolarHBondContact O-N 2.87Å
187	E	96.9	Very high	97.1	Very high	95 Å²	95	59 Å²	59	44%	0.444	28%	0.276	S	S	.	.	H	α-helix	trans	-52.1	-42.1	-171.6	-72.4	-174.4	-139.4	0	0	113.3	Y183 V189 E190 W191	Y183-E187 HydrophobicContact CD2-CB 3.75Å; Y183-E187 HydrophobicContact CE2-CB 3.92Å; Y183-E187 PolarHBondContact O-N 3.01Å; Y183-E187 VanDerWaalsContact O-N 3.16Å; E187-V189 PolarHBondContact O-N 2.93Å; E187-E190 PolarHBondContact O-N 3.14Å; E187-W191 WeakPolarHBondContact O-CB 3.37Å; E187-W191 PolarHBondContact O-N 2.74Å
188	C	97.9	Very high	97	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-47.9	-179.6	-170.1	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 WeakPolarHBondContact CE-SG 3.39Å; C125-C188 HydrophobicContact CB-CB 3.95Å; C125-C188 WeakPolarHBondContact CB-SG 3.48Å; C125-C188 PolarHBondContact N-SG 2.85Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 PolarHBondContact SG-O 3.31Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.87Å; Y183-C188 HydrophobicContact CD1-CB 4.39Å; Y183-C188 HydrophobicContact CE1-CB 3.95Å; Y183-C188 WeakPolarHBondContact O-CB 3.32Å; Y183-C188 PolarHBondContact O-N 2.71Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 2.76Å; G186-C188 VanDerWaalsContact O-N 3.16Å; C188-W191 PolarHBondContact O-N 3.5Å; C188-L192 WeakPolarHBondContact O-CB 3.31Å; C188-L192 PolarHBondContact O-N 3.05Å
189	V	96.9	Very high	96.8	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-43.8	178.8	173.6	0	0	0	0	110.8	L127 L133 L184 G186 E187 L192 R193	L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.77Å; L127-V189 HydrophobicContact CD2-CG2 3.8Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 4.04Å; L184-V189 WeakPolarHBondContact O-CG2 3.36Å; G186-V189 PolarHBondContact O-N 3.13Å; G186-V189 VanDerWaalsContact O-N 3.08Å; E187-V189 PolarHBondContact O-N 2.93Å; V189-L192 PolarHBondContact O-N 3.48Å; V189-R193 WeakPolarHBondContact O-CG 3.39Å; V189-R193 PolarHBondContact O-N 2.81Å
190	E	96.6	Very high	96.6	Very high	128 Å²	128	55.2 Å²	55.2	60%	0.598	26%	0.258	S	S	*	.	H	α-helix	trans	-62.1	-46.1	179.2	-70.3	-179.7	173.2	0	0	112.2	G186 E187 R193 R194	G186-E190 PolarHBondContact O-N 2.87Å; E187-E190 PolarHBondContact O-N 3.14Å; E190-R193 PolarHBondContact O-N 3.06Å; E190-R194 PolarHBondContact O-N 2.82Å; E190-R194 VanDerWaalsContact O-N 3.07Å
191	W	97.4	Very high	96.2	Very high	44 Å²	44	61.9 Å²	61.9	17%	0.167	29%	0.29	C	S	.	.	H	α-helix	trans	-66.2	-43.6	177.8	-81.9	107.6	0	0	0	112.1	M29 Y83 E187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.34Å; Y83-W191 AromaticContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CZ2 4.3Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.25Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; E187-W191 WeakPolarHBondContact O-CB 3.37Å; E187-W191 PolarHBondContact O-N 2.74Å; C188-W191 PolarHBondContact O-N 3.5Å; W191-R193 PolarHBondContact O-N 3.08Å; W191-R194 WeakPolarHBondContact O-CB 3.34Å; W191-R194 PolarHBondContact O-N 3.25Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CE3-CD1 4.48Å; W191-Y195 AromaticContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE2 4.25Å; W191-Y195 AromaticContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-OH 3.22Å; W191-Y195 AromaticContact CZ3-CE1 3.98Å; W191-Y195 HydrophobicContact CZ3-CE1 3.98Å; W191-Y195 VanDerWaalsContact O-CD2 3.24Å; W191-Y195 WeakPolarHBondContact O-CD2 3.37Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 2.83Å
192	L	97.3	Very high	95.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-45.1	177.3	175.5	50.2	0	0	0	111.3	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.35Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; L127-L192 HydrophobicContact CD1-CB 4.31Å; L127-L192 HydrophobicContact CD1-CD2 3.71Å; L127-L192 HydrophobicContact CD1-CG 3.75Å; L127-L192 HydrophobicContact CD2-CD2 4.41Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.2Å; C188-L192 WeakPolarHBondContact O-CB 3.31Å; C188-L192 PolarHBondContact O-N 3.05Å; V189-L192 PolarHBondContact O-N 3.48Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.41Å; L192-Y195 PolarHBondContact O-N 2.95Å; L192-L196 HydrophobicContact CD1-CD1 3.85Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.86Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.4Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 2.75Å
193	R	95.2	Very high	95.4	Very high	126 Å²	126	57.5 Å²	57.5	48%	0.475	27%	0.265	S	S	.	.	H	α-helix	trans	-59.4	-43.6	174.7	-72.1	175.5	-175.6	169.1	1.3	112.5	L127 G131 V189 E190 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.96Å; G131-R193 PolarHBondContact O-NE 3.29Å; G131-R193 PolarHBondContact O-NH2 3.28Å; V189-R193 WeakPolarHBondContact O-CG 3.39Å; V189-R193 PolarHBondContact O-N 2.81Å; E190-R193 PolarHBondContact O-N 3.06Å; W191-R193 PolarHBondContact O-N 3.08Å; R193-L196 PolarHBondContact O-N 3.01Å; R193-E197 PolarHBondContact O-N 2.91Å
194	R	96	Very high	94.9	Very high	123 Å²	123	60 Å²	60	46%	0.464	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-44	176.4	178.5	179.1	174.5	119.9	-4.4	111.5	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.23Å; E79-R194 IonicContact OE1-NE 2.95Å; E79-R194 PolarHBondContact OE1-NE 2.85Å; E79-R194 IonicContact OE1-NH2 3.22Å; E79-R194 PolarHBondContact OE1-NH2 2.97Å; E79-R194 IonicContact OE2-CZ 3.33Å; E79-R194 IonicContact OE2-NE 3.29Å; E79-R194 IonicContact OE2-NH2 2.73Å; E79-R194 PolarHBondContact OE2-NH2 2.89Å; E190-R194 PolarHBondContact O-N 2.82Å; E190-R194 VanDerWaalsContact O-N 3.07Å; W191-R194 WeakPolarHBondContact O-CB 3.34Å; W191-R194 PolarHBondContact O-N 3.25Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.41Å; R194-E197 PolarHBondContact O-N 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 2.83Å; R194-N198 PolarHBondContact O-OD1 2.92Å
195	Y	96.7	Very high	94.5	Very high	1 Å²	1	64.4 Å²	64.4	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-67.4	-39	178.6	-61.9	-32.3	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.77Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å; V52-Y195 HydrophobicContact CG2-CD2 3.92Å; V52-Y195 HydrophobicContact CG2-CG 4.4Å; F57-Y195 AromaticContact CE2-CE2 3.86Å; F57-Y195 HydrophobicContact CE2-CE2 3.86Å; F57-Y195 HydrophobicContact CZ-CD2 4.44Å; F57-Y195 AromaticContact CZ-CE2 3.87Å; F57-Y195 HydrophobicContact CZ-CE2 3.87Å; W75-Y195 HydrophobicContact CE3-CD1 4.25Å; W75-Y195 HydrophobicContact CE3-CG 4.49Å; W75-Y195 HydrophobicContact CH2-CG 4.15Å; W75-Y195 AromaticContact CZ3-CD1 3.6Å; W75-Y195 HydrophobicContact CZ3-CD1 3.6Å; W75-Y195 HydrophobicContact CZ3-CD2 4.33Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.6Å; W75-Y195 HydrophobicContact CZ3-CG 3.6Å; V76-Y195 HydrophobicContact CG2-CE1 4.37Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.49Å; Y83-Y195 PolarHBondContact OH-OH 2.82Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CE3-CD1 4.48Å; W191-Y195 AromaticContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE1 3.59Å; W191-Y195 HydrophobicContact CE3-CE2 4.25Å; W191-Y195 AromaticContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-OH 3.22Å; W191-Y195 AromaticContact CZ3-CE1 3.98Å; W191-Y195 HydrophobicContact CZ3-CE1 3.98Å; W191-Y195 VanDerWaalsContact O-CD2 3.24Å; W191-Y195 WeakPolarHBondContact O-CD2 3.37Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 2.83Å; L192-Y195 PolarHBondContact O-N 2.95Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.03Å; Y195-N198 PolarHBondContact O-N 3.25Å; Y195-G199 WeakPolarHBondContact O-CA 3.15Å; Y195-G199 PolarHBondContact O-N 2.89Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å
196	L	94.8	Very high	94.2	Very high	14 Å²	14	62.1 Å²	62.1	7%	0.073	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-36.5	174.8	-71	169.2	0	0	0	112.4	H27 V52 L127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.24Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; L127-L196 HydrophobicContact CD1-CD1 4.49Å; L192-L196 HydrophobicContact CD1-CD1 3.85Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.86Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.4Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 2.75Å; R193-L196 PolarHBondContact O-N 3.01Å; L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.42Å; L196-K200 WeakPolarHBondContact O-CB 3.4Å; L196-K200 PolarHBondContact O-N 3.4Å; L196-K200 VanDerWaalsContact O-N 3.09Å; L196-L203 HydrophobicContact CD2-CB 4.14Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å; L196-Q204 PolarHBondContact O-NE2 3.39Å
197	E	94.8	Very high	94.1	Very high	125 Å²	125	64 Å²	64	58%	0.584	30%	0.295	S	S	*	.	H	α-helix	trans	-71.1	-47.9	174.5	-172	60.2	-151.7	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.91Å; R194-E197 PolarHBondContact O-N 3.26Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.03Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.25Å; E197-K200 WeakPolarHBondContact O-CB 3.35Å; E197-K200 PolarHBondContact O-N 2.98Å
198	N	96.1	Very high	94	Very high	48 Å²	48	64.9 Å²	64.9	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-60.9	-39.5	178.9	-68.8	-7	0	0	0	112.5	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.37Å; W75-N198 WeakPolarHBondContact CB-O 3.14Å; Q78-N198 VanDerWaalsContact NE2-CB 3.32Å; Q78-N198 PolarHBondContact NE2-ND2 3.39Å; Q78-N198 PolarHBondContact NE2-OD1 2.99Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.09Å; E79-N198 PolarHBondContact OE1-ND2 2.87Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 2.83Å; R194-N198 PolarHBondContact O-OD1 2.92Å; Y195-N198 PolarHBondContact O-N 3.25Å
199	G	94.9	Very high	93.9	Very high	3 Å²	3	65.1 Å²	65.1	3%	0.031	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	17.8	-175.3	0	0	0	0	0	113.9	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.15Å; Y195-G199 PolarHBondContact O-N 2.89Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.25Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 3.44Å; G199-E201 VanDerWaalsContact O-N 3.14Å; G199-T202 CarbonylContact O-C 3.5Å; G199-T202 WeakPolarHBondContact O-CA 3.23Å; G199-T202 PolarHBondContact O-N 3.02Å; G199-T202 PolarHBondContact O-OG1 2.78Å; G199-L203 PolarHBondContact O-N 3.06Å
200	K	92.4	Very high	94	Very high	111 Å²	111	71.6 Å²	71.6	48%	0.483	33%	0.328	S	S	.	.	H	α-helix	trans	-49	-44.3	-171.1	-177.4	172.2	-174.7	172.7	0	114.1	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.42Å; L196-K200 WeakPolarHBondContact O-CB 3.4Å; L196-K200 PolarHBondContact O-N 3.4Å; L196-K200 VanDerWaalsContact O-N 3.09Å; E197-K200 WeakPolarHBondContact O-CB 3.35Å; E197-K200 PolarHBondContact O-N 2.98Å; K200-T202 PolarHBondContact O-N 2.93Å; K200-Q204 WeakPolarHBondContact O-CB 3.41Å; K200-Q204 PolarHBondContact O-N 2.91Å
201	E	89.9	Confident	94	Very high	180 Å²	180	67.1 Å²	67.1	84%	0.841	31%	0.309	S	S	*	.	H	α-helix	trans	-64.6	-24.1	179.9	-62.2	-175	165.3	0	0	113.5	G199	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 3.44Å; G199-E201 VanDerWaalsContact O-N 3.14Å
202	T	89.3	Confident	94	Very high	44 Å²	44	68.9 Å²	68.9	27%	0.27	32%	0.319	S	S	.	.	H	α-helix	trans	-107.3	-34.1	-176.3	53.8	0	0	0	0	114.4	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.25Å; G199-T202 CarbonylContact O-C 3.5Å; G199-T202 WeakPolarHBondContact O-CA 3.23Å; G199-T202 PolarHBondContact O-N 3.02Å; G199-T202 PolarHBondContact O-OG1 2.78Å; K200-T202 PolarHBondContact O-N 2.93Å; T202-R205 WeakPolarHBondContact O-CG 3.32Å; T202-R205 PolarHBondContact O-NE 3.47Å
203	L	90.4	Very high	94.1	Very high	5 Å²	5	70 Å²	70	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-94.6	-28.7	-173.6	-63.9	173.1	0	0	0	112.3	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.21Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.42Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.17Å; W75-L203 HydrophobicContact CZ2-CG 4.44Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å; L196-L203 HydrophobicContact CD2-CB 4.14Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å; G199-L203 PolarHBondContact O-N 3.06Å
204	Q	87.9	Confident	94.1	Very high	92 Å²	92	65.6 Å²	65.6	43%	0.43	31%	0.313	S	S	.	.	S	Bend	trans	-102.8	21	178.2	-57.5	178	31.1	0	0	111.7	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.39Å; K200-Q204 WeakPolarHBondContact O-CB 3.41Å; K200-Q204 PolarHBondContact O-N 2.91Å
205	R	88.6	Confident	94.1	Very high	92 Å²	92	62.2 Å²	62.2	35%	0.347	30%	0.303	S	S	.	.			trans	-95.2	146.4	171.2	76.7	-173	172.7	169.3	11.6	109	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CG 3.32Å; T202-R205 PolarHBondContact O-NE 3.47Å; R205-E207 IonicContact CZ-OE1 3.72Å; R205-E207 IonicContact NE-OE1 3.7Å; R205-E207 PolarHBondContact NE-OE1 2.9Å; R205-E207 IonicContact NH1-OE1 3.91Å; R205-E207 PolarHBondContact NH1-OE1 2.65Å; R205-E207 IonicContact NH2-OE1 3.59Å; R205-E207 PolarHBondContact NH2-OE1 2.82Å; R205-Y233 HydrophobicContact CG-CD1 4.24Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.31Å
206	A	91.6	Very high	94	Very high	45 Å²	45	66 Å²	66	37%	0.372	32%	0.32	S	S	.	.			trans	-117.7	121.4	164.8	0	0	0	0	0	108.6	Y233	A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 WeakPolarHBondContact CA-O 3.34Å
207	E	93.7	Very high	94	Very high	62 Å²	62	70.2 Å²	70.2	29%	0.29	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-97	119.5	173.9	-66.6	-171.3	-149.9	0	0	108.5	R205 F232 Y233 T264 H287	R205-E207 IonicContact CZ-OE1 3.72Å; R205-E207 IonicContact NE-OE1 3.7Å; R205-E207 PolarHBondContact NE-OE1 2.9Å; R205-E207 IonicContact NH1-OE1 3.91Å; R205-E207 PolarHBondContact NH1-OE1 2.65Å; R205-E207 IonicContact NH2-OE1 3.59Å; R205-E207 PolarHBondContact NH2-OE1 2.82Å; E207-F232 WeakPolarHBondContact O-CA 3.47Å; E207-F232 WeakPolarHBondContact O-CB 3.4Å; E207-Y233 PolarHBondContact N-O 2.04Å; E207-Y233 PolarHBondContact O-N 3.48Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; E207-T264 WeakPolarHBondContact OE2-CG2 3.49Å; E207-H287 PolarHBondContact O-CE1 2.74Å
208	H	94.9	Very high	93.8	Very high	113 Å²	113	68.8 Å²	68.8	52%	0.523	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-71	145.5	-178.1	56.1	-98.6	0	0	0	111.7	K210 L290	H208-K210 PolarHBondContact O-N 3.18Å; H208-L290 HydrophobicContact CB-CD2 3.94Å
209	P	97.5	Very high	93.6	Very high	4 Å²	4	69 Å²	69	3%	0.026	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-68.3	130.2	178.3	28.2	-34.9	0	0	0	111.5	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.88Å; P209-T211 HydrophobicContact CG-CG2 4.11Å; P209-T211 PolarHBondContact O-N 3.43Å; P209-A229 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.96Å; P209-F232 HydrophobicContact CB-CG 4.19Å; P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; P209-V285 HydrophobicContact CG-CG1 3.94Å; P209-H287 HydrophobicContact CG-CB 4.04Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.23Å
210	K	97.8	Very high	93.3	Very high	143 Å²	143	76.1 Å²	76.1	62%	0.622	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	111.6	163.7	-65.7	170.6	-173.2	163.9	0	107.8	H208 L230	H208-K210 PolarHBondContact O-N 3.18Å; K210-L230 PolarHBondContact N-O 2.89Å; K210-L230 PolarHBondContact O-N 3.14Å
211	T	97.8	Very high	93.3	Very high	34 Å²	34	77.7 Å²	77.7	21%	0.209	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.6	-171.4	58.1	0	0	0	0	112.7	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.88Å; P209-T211 HydrophobicContact CG-CG2 4.11Å; P209-T211 PolarHBondContact O-N 3.43Å; T211-W228 WeakPolarHBondContact CA-O 3.36Å; T211-W228 WeakPolarHBondContact CB-O 3.48Å; T211-A229 HydrophobicContact CG2-CB 4.24Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.14Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; T211-L294 HydrophobicContact CG2-CD1 4.44Å; T211-L296 VanDerWaalsContact CB-CD1 3.41Å; T211-L296 HydrophobicContact CG2-CD1 4.17Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.49Å
212	H	97.1	Very high	93.6	Very high	81 Å²	81	73.6 Å²	73.6	38%	0.375	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	158.9	173.3	62.4	-75.4	0	0	0	110.4	W228	H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.35Å; H212-W228 AromaticContact CE1-CD1 3.98Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 2.79Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 3.22Å
213	V	98	Very high	93.9	Very high	23 Å²	23	71.6 Å²	71.6	14%	0.139	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.4	176.2	-178.4	0	0	0	0	109.5	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.34Å; V213-L225 HydrophobicContact CG1-CD2 4.36Å; V213-R226 CarbonylContact C-O 3.54Å; V213-R226 WeakPolarHBondContact CA-O 3.41Å; V213-C227 HydrophobicContact CG2-CB 4.44Å; V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.3Å; V213-L296 HydrophobicContact CG2-CB 3.92Å; V213-W298 HydrophobicContact CB-CB 4.43Å; V213-W298 HydrophobicContact CG1-CB 3.83Å
214	T	96.7	Very high	94.2	Very high	34 Å²	34	72.4 Å²	72.4	21%	0.209	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	146.4	173.6	51.2	0	0	0	0	110.2	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 3.23Å; T214-L225 WeakPolarHBondContact O-CA 3.4Å; T214-R226 PolarHBondContact N-O 2.91Å; T214-R226 PolarHBondContact O-N 2.97Å; T214-R226 WeakPolarHBondContact OG1-CB 3.37Å; T214-R226 PolarHBondContact OG1-O 3.36Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; T214-W228 PolarHBondContact OG1-NE1 3.09Å; T214-W228 VanDerWaalsContact OG1-NE1 3.1Å
215	H	95.8	Very high	94.7	Very high	53 Å²	53	68 Å²	68	25%	0.245	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.3	180	169.1	-94.7	0	0	0	109.5	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.31Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; H215-E278 IonicContact NE2-OE1 3.69Å; H215-W298 HydrophobicContact CB-CD2 4.12Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 4.04Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.92Å
216	H	94.7	Very high	95.1	Very high	79 Å²	79	66.1 Å²	66.1	37%	0.366	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	104.4	-178.7	-59.2	-69.5	0	0	0	109.5	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 3.23Å; H216-V218 PolarHBondContact O-N 3.38Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.41Å; H216-T224 PolarHBondContact N-O 2.78Å; H216-T224 PolarHBondContact O-N 3.16Å; H216-R226 PolarHBondContact CD2-NH1 3.03Å; H216-R226 PolarHBondContact NE2-NH1 3.07Å
217	P	93.8	Very high	95.5	Very high	104 Å²	104	64 Å²	64	68%	0.675	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	131.5	173.3	-20.3	30.6	0	0	0	110.7
218	V	91.1	Very high	95.7	Very high	94 Å²	94	63.3 Å²	63.3	57%	0.57	32%	0.323	S	S	*	.			trans	-104.5	-41.6	175.9	-179	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.38Å; V218-E222 PolarHBondContact N-O 2.92Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.38Å
219	S	91.9	Very high	95.9	Very high	54 Å²	54	58 Å²	58	38%	0.378	30%	0.298	S	S	.	.	S	Bend	trans	-148.2	-178	175.2	72.3	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 2.85Å; S219-H221 PolarHBondContact OG-N 2.93Å; S219-E222 PolarHBondContact N-O 2.94Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.91Å
220	D	88.9	Confident	95.9	Very high	152 Å²	152	60.3 Å²	60.3	81%	0.813	31%	0.31	S	S	*	.	S	Bend	trans	-66.7	-10.3	172.6	-65.5	-22.9	0	0	0	113.3
221	H	92.6	Very high	95.8	Very high	144 Å²	144	54.4 Å²	54.4	67%	0.667	29%	0.289	S	S	*	.	S	Bend	trans	-115.6	-16	-175.7	-56	-44.2	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.85Å; S219-H221 PolarHBondContact OG-N 2.93Å; H221-P274 CarbonylContact O-C 3.6Å; H221-P274 WeakPolarHBondContact O-CA 3.33Å; H221-S275 PolarHBondContact O-N 3.38Å
222	E	95.1	Very high	95.8	Very high	94 Å²	94	52.8 Å²	52.8	44%	0.439	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	144.5	-171.1	-66.7	179.6	169	0	0	112.1	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.92Å; S219-E222 PolarHBondContact N-O 2.94Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.91Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.33Å; E222-V273 WeakPolarHBondContact CA-O 3.3Å; E222-S275 PolarHBondContact N-OG 3.14Å
223	A	95.7	Very high	95.7	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.8	171.1	0	0	0	0	0	110.7	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.31Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.41Å; A223-V273 HydrophobicContact CB-CG2 4.47Å; A223-V273 PolarHBondContact N-O 2.66Å; A223-V273 WeakPolarHBondContact O-CG2 3.47Å; A223-V273 PolarHBondContact O-N 3.32Å
224	T	97.4	Very high	95.5	Very high	22 Å²	22	49 Å²	49	14%	0.135	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.3	170.1	-55.1	0	0	0	0	109.4	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 2.78Å; H216-T224 PolarHBondContact O-N 3.16Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.38Å; T224-A270 HydrophobicContact CG2-CB 3.92Å; T224-V271 WeakPolarHBondContact CA-O 3.28Å
225	L	97.9	Very high	95.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.4	164.7	-63.5	-177.2	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.34Å; V213-L225 HydrophobicContact CG1-CD2 4.36Å; T214-L225 WeakPolarHBondContact O-CA 3.4Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.44Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.07Å; L225-V271 PolarHBondContact O-N 3.15Å; L225-V273 HydrophobicContact CD1-CG1 4.05Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.22Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CG 4.38Å; L225-W298 HydrophobicContact CD1-CB 4.45Å; L225-W298 HydrophobicContact CD2-CB 3.85Å; L225-W298 HydrophobicContact CD2-CD2 4.37Å; L225-W298 HydrophobicContact CD2-CG 3.97Å
226	R	98.2	Very high	95.3	Very high	52 Å²	52	53.2 Å²	53.2	20%	0.196	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	117.4	176.2	-179.6	-177.6	-61.8	112.6	0.6	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.54Å; V213-R226 WeakPolarHBondContact CA-O 3.41Å; T214-R226 PolarHBondContact N-O 2.91Å; T214-R226 PolarHBondContact O-N 2.97Å; T214-R226 WeakPolarHBondContact OG1-CB 3.37Å; T214-R226 PolarHBondContact OG1-O 3.36Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; H216-R226 PolarHBondContact CD2-NH1 3.03Å; H216-R226 PolarHBondContact NE2-NH1 3.07Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.2Å; R226-A269 WeakPolarHBondContact CA-O 3.09Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.15Å
227	C	98.3	Very high	95.3	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.6	175.4	-173.9	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 WeakPolarHBondContact O-CB 3.2Å; C227-A269 PolarHBondContact N-O 3.33Å; C227-A269 PolarHBondContact O-N 3.31Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.27Å; C227-C283 WeakPolarHBondContact SG-CB 3.2Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3Å
228	W	98.4	Very high	95.4	Very high	49 Å²	49	47.8 Å²	47.8	19%	0.186	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142	-179.8	-69.7	89.7	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.36Å; T211-W228 WeakPolarHBondContact CB-O 3.48Å; H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.35Å; H212-W228 AromaticContact CE1-CD1 3.98Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 2.79Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.74Å; H212-W228 PolarHBondContact O-N 3.22Å; T214-W228 PolarHBondContact OG1-NE1 3.09Å; T214-W228 VanDerWaalsContact OG1-NE1 3.1Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; W228-L230 HydrophobicContact CE3-CD2 3.9Å; W228-L230 HydrophobicContact CZ3-CD2 4.45Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.27Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.1Å
229	A	98.4	Very high	95.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.7	162.8	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.88Å; T211-A229 HydrophobicContact CG2-CB 4.24Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; A229-Q266 CarbonylContact O-C 3.55Å; A229-Q266 VanDerWaalsContact O-CA 3.27Å; A229-Q266 WeakPolarHBondContact O-CA 3.35Å; A229-K267 PolarHBondContact N-O 2.79Å; A229-K267 PolarHBondContact O-N 3.01Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.1	Very high	96	Very high	54 Å²	54	42.9 Å²	42.9	28%	0.283	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.1	-174.8	-58	177.1	0	0	0	110.9	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.89Å; K210-L230 PolarHBondContact O-N 3.14Å; W228-L230 HydrophobicContact CE3-CD2 3.9Å; W228-L230 HydrophobicContact CZ3-CD2 4.45Å; L230-F232 PolarHBondContact O-N 3.38Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å
231	G	96.9	Very high	96.4	Very high	18 Å²	18	35.8 Å²	35.8	19%	0.186	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.9	34.4	168.4	0	0	0	0	0	113.7	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.5Å; G231-F265 PolarHBondContact N-O 2.89Å
232	F	96.5	Very high	96.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	155.6	179.1	60.4	-90.5	0	0	0	112.3	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.47Å; E207-F232 WeakPolarHBondContact O-CB 3.4Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.96Å; P209-F232 HydrophobicContact CB-CG 4.19Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; L230-F232 PolarHBondContact O-N 3.38Å; F232-P234 WeakPolarHBondContact CD2-O 3.31Å; F232-I237 HydrophobicContact CD1-CD1 3.85Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.99Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.4Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.95Å; F232-I237 HydrophobicContact CE2-CG1 4.44Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.96Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; F232-T257 HydrophobicContact CE2-CG2 4.05Å; F232-T257 HydrophobicContact CZ-CG2 3.81Å; F232-T264 WeakPolarHBondContact O-CA 3.26Å; F232-F265 WeakPolarHBondContact CD1-O 3.41Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.25Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 2.71Å; F232-F265 PolarHBondContact O-N 3.05Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; F232-H287 AromaticContact CD2-CD2 3.76Å; F232-H287 AromaticContact CD2-NE2 3.67Å
233	Y	94.6	Very high	96.8	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.016	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-152	134.5	174	178.5	-86.9	0	0	0	108.6	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.01Å; T55-Y233 PolarHBondContact OG1-OH 3.37Å; R205-Y233 HydrophobicContact CG-CD1 4.24Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.31Å; A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 WeakPolarHBondContact CA-O 3.34Å; E207-Y233 PolarHBondContact N-O 2.04Å; E207-Y233 PolarHBondContact O-N 3.48Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; Y233-G263 WeakPolarHBondContact CD2-O 3.45Å; Y233-F265 HydrophobicContact CD2-CD2 4.41Å; Y233-F265 AromaticContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CE2-CE2 4.38Å; Y233-H287 PolarHBondContact O-CE1 3.36Å
234	P	93.6	Very high	96.7	Very high	21 Å²	21	34.5 Å²	34.5	14%	0.136	18%	0.176	C	C	.	.	S	Bend	cis	-74.7	-178	4.9	31.4	-36.8	0	0	0	113.6	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.28Å; D54-P234 WeakPolarHBondContact OD2-CB 3.46Å; F232-P234 WeakPolarHBondContact CD2-O 3.31Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.05Å; P234-H287 PolarHBondContact O-NE2 3.49Å
235	T	94.1	Very high	96.5	Very high	34 Å²	34	35.8 Å²	35.8	21%	0.209	19%	0.194	C	C	.	.	S	Bend	trans	-68.9	-25.1	-175.4	-158.4	0	0	0	0	113.8	D54 I237 T257 F265	D54-T235 VanDerWaalsContact CG-CG2 3.45Å; D54-T235 WeakPolarHBondContact OD1-CG2 3.3Å; D54-T235 WeakPolarHBondContact OD2-CB 3.39Å; D54-T235 WeakPolarHBondContact OD2-CG2 3.33Å; D54-T235 PolarHBondContact OD2-N 2.91Å; T235-I237 PolarHBondContact O-N 2.66Å; T235-T257 VanDerWaalsContact OG1-CG2 3.31Å; T235-T257 WeakPolarHBondContact OG1-CG2 3.45Å; T235-F265 WeakPolarHBondContact OG1-CD1 3.3Å
236	E	94.3	Very high	96.3	Very high	141 Å²	141	42.7 Å²	42.7	66%	0.659	23%	0.226	S	C	*	.			trans	-68.6	114.7	-177	-170.1	57.7	-136.4	0	0	110	P234 H287	P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.05Å; E236-H287 PolarHBondContact O-CD2 3.46Å
237	I	95.6	Very high	96.1	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.056	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	139.9	-178	-164.9	169.7	0	0	0	109.6	P209 A229 F232 T235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; F232-I237 HydrophobicContact CD1-CD1 3.85Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.99Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.4Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.95Å; F232-I237 HydrophobicContact CE2-CG1 4.44Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.96Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; T235-I237 PolarHBondContact O-N 2.66Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.6Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.47Å; I237-H287 HydrophobicContact CD1-CB 4.21Å; I237-H287 HydrophobicContact CG1-CB 4.01Å
238	T	96.7	Very high	96	Very high	58 Å²	58	46.1 Å²	46.1	36%	0.356	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.6	174.4	-63	0	0	0	0	110.1	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.01Å; T238-V285 WeakPolarHBondContact O-CA 3.42Å; T238-Q286 PolarHBondContact N-O 2.83Å; T238-Q286 PolarHBondContact O-N 3.44Å
239	L	97.6	Very high	95.4	Very high	6 Å²	6	49 Å²	49	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.3	172.5	-87.2	63	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.6Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.23Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CG-CG2 4.33Å
240	T	97.2	Very high	94.9	Very high	39 Å²	39	58.1 Å²	58.1	24%	0.239	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.7	178.7	49.9	0	0	0	0	111	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.01Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.35Å; T240-H284 PolarHBondContact N-O 2.87Å; T240-H284 PolarHBondContact O-N 3.05Å; T240-H284 WeakPolarHBondContact OG1-CB 3.32Å
241	W	98.1	Very high	94.3	Very high	3 Å²	3	61.2 Å²	61.2	1%	0.011	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.5	170.8	-83.2	103.6	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.3Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 2.9Å; W241-A269 PolarHBondContact NE1-O 3.17Å; W241-V271 HydrophobicContact CB-CG1 3.68Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.29Å; W241-V271 HydrophobicContact CD2-CG2 3.61Å; W241-V271 HydrophobicContact CE3-CG2 3.99Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.58Å; W241-V271 HydrophobicContact CG-CG2 3.83Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; W241-V271 HydrophobicContact CZ3-CG2 4.47Å; W241-T282 WeakPolarHBondContact CA-O 3.45Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.11Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.04Å
242	Q	97.7	Very high	94.2	Very high	42 Å²	42	61.5 Å²	61.5	20%	0.196	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.1	172.1	-69.8	-173.6	-5.2	0	0	110.5	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.58Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.17Å; Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.03Å; Q242-D247 PolarHBondContact NE2-OD1 3.43Å; Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.24Å; Q242-Y281 WeakPolarHBondContact O-CA 3.41Å; Q242-T282 PolarHBondContact N-O 2.84Å; Q242-T282 PolarHBondContact O-N 3.46Å; Q242-H284 PolarHBondContact OE1-NE2 3.09Å
243	R	97.1	Very high	94.2	Very high	69 Å²	69	67 Å²	67	26%	0.26	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.4	169	-176.1	-172.5	-176.7	178.4	-2.5	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.17Å; R243-E246 PolarHBondContact N-O 2.88Å; R243-E246 PolarHBondContact O-N 3.01Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; R243-E277 IonicContact CZ-OE2 3.01Å; R243-E277 IonicContact NE-OE2 3.36Å; R243-E277 IonicContact NH2-OE1 3.78Å; R243-E277 IonicContact NH2-OE2 2.66Å; R243-E277 PolarHBondContact NH2-OE2 3.45Å; R243-R280 WeakPolarHBondContact CA-O 3.14Å; R243-R280 HydrophobicContact CG-CB 4.4Å; R243-Y281 HydrophobicContact CB-CD1 4.04Å; R243-Y281 HydrophobicContact CB-CE1 3.82Å; R243-Y281 WeakPolarHBondContact CD-OH 3.25Å; R243-Y281 HydrophobicContact CG-CD1 4.38Å; R243-Y281 HydrophobicContact CG-CE1 3.97Å; R243-Y281 HydrophobicContact CG-CE2 4.16Å; R243-Y281 PolarHBondContact NE-OH 2.81Å
244	D	95	Very high	94.2	Very high	101 Å²	101	71 Å²	71	54%	0.54	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	29.4	-175.3	-53.6	-52	0	0	0	114.2	R280	D244-R280 PolarHBondContact N-O 3.25Å; D244-R280 IonicContact OD1-NE 3.85Å; D244-R280 PolarHBondContact OD1-NE 3.09Å; D244-R280 IonicContact OD2-CZ 3.14Å; D244-R280 IonicContact OD2-NE 2.73Å; D244-R280 PolarHBondContact OD2-NE 2.97Å; D244-R280 IonicContact OD2-NH2 3.79Å; D244-R280 PolarHBondContact OD2-NH2 3.05Å
245	G	91.6	Very high	94.4	Very high	49 Å²	49	71.6 Å²	71.6	51%	0.505	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	-0.2	-177.7	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.17Å
246	E	95	Very high	94.5	Very high	146 Å²	146	78.1 Å²	78.1	68%	0.682	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	128	176.1	-63.3	-173.1	169.9	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.58Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.17Å; R243-E246 PolarHBondContact N-O 2.88Å; R243-E246 PolarHBondContact O-N 3.01Å; E246-Q248 PolarHBondContact O-NE2 3.28Å
247	D	94.7	Very high	94.6	Very high	97 Å²	97	73.3 Å²	73.3	52%	0.519	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	135	-179.3	-68.4	-24.7	0	0	0	112.6	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.03Å; Q242-D247 PolarHBondContact NE2-OD1 3.43Å
248	Q	94.3	Very high	94.6	Very high	27 Å²	27	77.4 Å²	77.4	13%	0.126	40%	0.401	C	S	.	.			trans	-106.1	35.3	-177	-58.1	-59.7	-65.6	0	0	112.5	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 2.9Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; E246-Q248 PolarHBondContact O-NE2 3.28Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 2.86Å; Q248-Q250 VanDerWaalsContact O-N 3.17Å; Q248-D251 PolarHBondContact O-N 3.24Å; Q248-D251 VanDerWaalsContact O-N 3.16Å; Q248-T252 WeakPolarHBondContact O-CB 3.04Å; Q248-T252 PolarHBondContact O-N 3.05Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 2.8Å; Q248-V271 HydrophobicContact CB-CG1 4.48Å; Q248-Y281 HydrophobicContact CG-CE1 4.41Å
249	T	87.6	Confident	94.6	Very high	108 Å²	108	79.1 Å²	79.1	66%	0.663	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.4	-168.9	-45.7	0	0	0	0	114.2
250	Q	86.6	Confident	94.5	Very high	193 Å²	193	81.2 Å²	81.2	90%	0.902	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-31.3	-178.5	-65.7	-173.5	8.3	0	0	113.2	Q248	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 2.86Å; Q248-Q250 VanDerWaalsContact O-N 3.17Å
251	D	86.1	Confident	94.3	Very high	118 Å²	118	82.9 Å²	82.9	63%	0.631	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	1.7	-177.9	-58.2	-51.4	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 3.24Å; Q248-D251 VanDerWaalsContact O-N 3.16Å
252	T	93.9	Very high	93.9	Very high	24 Å²	24	88.1 Å²	88.1	15%	0.147	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.9	179.5	-61.3	0	0	0	0	110.9	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.04Å; Q248-T252 PolarHBondContact O-N 3.05Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 2.8Å; T252-L254 HydrophobicContact CG2-CB 4.47Å; T252-L254 PolarHBondContact O-N 2.85Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.45Å; T252-A270 WeakPolarHBondContact CA-O 3.45Å; T252-V271 HydrophobicContact CG2-CG1 4.3Å; T252-V271 VanDerWaalsContact OG1-CG1 3.23Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.39Å
253	E	96.2	Very high	93.5	Very high	115 Å²	115	88 Å²	88	54%	0.537	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	107.6	163.2	-174.1	-174.5	-172.5	0	0	109	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.27Å; E253-W268 VanDerWaalsContact CD-CH2 3.41Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.87Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.47Å; E253-A269 CarbonylContact O-C 3.6Å; E253-A269 WeakPolarHBondContact O-CA 3.48Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 2.66Å; E253-A270 PolarHBondContact O-N 2.82Å
254	L	96.3	Very high	93.5	Very high	90 Å²	90	85.1 Å²	85.1	47%	0.471	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.1	178.1	-173	67.4	0	0	0	110	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.47Å; T252-L254 PolarHBondContact O-N 2.85Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
255	V	96.1	Very high	93.6	Very high	33 Å²	33	81.4 Å²	81.4	20%	0.2	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-84.8	153.6	175.2	-64.5	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.4Å; V255-K267 WeakPolarHBondContact O-CG 3.07Å; V255-K267 PolarHBondContact O-NZ 2.6Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.06Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.45Å; V255-W268 PolarHBondContact N-O 3.14Å
256	E	96	Very high	93.9	Very high	171 Å²	171	81.2 Å²	81.2	80%	0.799	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-58	147.1	167.5	-68	-176.5	173.8	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.33Å
257	T	97.1	Very high	94.1	Very high	40 Å²	40	75.3 Å²	75.3	25%	0.245	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-67.9	131.5	175.2	-55.1	0	0	0	0	108.7	F232 T235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.05Å; F232-T257 HydrophobicContact CZ-CG2 3.81Å; T235-T257 VanDerWaalsContact OG1-CG2 3.31Å; T235-T257 WeakPolarHBondContact OG1-CG2 3.45Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 4.02Å; T257-F265 HydrophobicContact CG2-CG 4.17Å; T257-K267 WeakPolarHBondContact OG1-CD 3.31Å; T257-K267 PolarHBondContact OG1-NZ 3.5Å
258	R	96.5	Very high	94.2	Very high	96 Å²	96	71.9 Å²	71.9	36%	0.362	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.1	-173.9	68.9	-165.8	-179.3	-173.3	4	111.3	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.33Å; R258-F265 WeakPolarHBondContact O-CA 3.38Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 2.61Å; R258-Q266 VanDerWaalsContact NE-OE1 3.16Å; R258-Q266 WeakPolarHBondContact O-CG 3.47Å; R258-Q266 PolarHBondContact O-N 2.81Å
259	P	96.5	Very high	94.4	Very high	95 Å²	95	70.6 Å²	70.6	62%	0.617	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	144.3	178	28.4	-34.3	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.35Å
260	A	95.5	Very high	94.9	Very high	49 Å²	49	65.6 Å²	65.6	41%	0.405	37%	0.365	S	S	.	.			trans	-87.6	-19.3	172.3	0	0	0	0	0	112.8	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.35Å; A260-T264 WeakPolarHBondContact CB-O 3.43Å; A260-T264 PolarHBondContact N-O 3.02Å
261	G	91.6	Very high	95.4	Very high	74 Å²	74	56.6 Å²	56.6	76%	0.763	32%	0.324	S	S	*	.	S	Bend	trans	96.8	-6.9	178.5	0	0	0	0	0	114.9
262	D	91.1	Very high	95.9	Very high	113 Å²	113	54.7 Å²	54.7	60%	0.604	32%	0.316	S	S	*	.	S	Bend	trans	-103.9	11.4	175.6	60.2	1.7	0	0	0	113.1	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.35Å; D262-T264 WeakPolarHBondContact OD1-CB 3.28Å; D262-T264 PolarHBondContact OD1-N 3.46Å; D262-T264 PolarHBondContact OD1-OG1 3.29Å
263	G	89.8	Confident	96.1	Very high	41 Å²	41	53.6 Å²	53.6	42%	0.423	31%	0.31	S	S	.	.	S	Bend	trans	90.9	-2	-173.9	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.45Å
264	T	95.4	Very high	96.1	Very high	8 Å²	8	50.4 Å²	50.4	5%	0.049	30%	0.299	C	S	.	.			trans	-105	173.1	174.8	74	0	0	0	0	112.5	E207 G231 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 3.49Å; G231-T264 WeakPolarHBondContact CA-OG1 3.5Å; F232-T264 WeakPolarHBondContact O-CA 3.26Å; A260-T264 WeakPolarHBondContact CB-O 3.43Å; A260-T264 PolarHBondContact N-O 3.02Å; D262-T264 WeakPolarHBondContact OD1-CB 3.28Å; D262-T264 PolarHBondContact OD1-N 3.46Å; D262-T264 PolarHBondContact OD1-OG1 3.29Å
265	F	97.4	Very high	95.9	Very high	23 Å²	23	48.6 Å²	48.6	10%	0.101	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	163.4	-177.1	-63.1	-84.2	0	0	0	112.5	D54 G231 F232 Y233 T235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.81Å; D54-F265 HydrophobicContact CB-CZ 3.71Å; G231-F265 PolarHBondContact N-O 2.89Å; F232-F265 WeakPolarHBondContact CD1-O 3.41Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.25Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 2.71Å; F232-F265 PolarHBondContact O-N 3.05Å; Y233-F265 HydrophobicContact CD2-CD2 4.41Å; Y233-F265 AromaticContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CE2-CE2 4.38Å; T235-F265 WeakPolarHBondContact OG1-CD1 3.3Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 4.02Å; T257-F265 HydrophobicContact CG2-CG 4.17Å; R258-F265 WeakPolarHBondContact O-CA 3.38Å; P259-F265 HydrophobicContact CB-CE1 4.35Å
266	Q	98	Very high	95.6	Very high	45 Å²	45	50.3 Å²	50.3	21%	0.21	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	146.2	174.7	39.5	164.9	-16.7	0	0	110.3	A229 L230 R258	A229-Q266 CarbonylContact O-C 3.55Å; A229-Q266 VanDerWaalsContact O-CA 3.27Å; A229-Q266 WeakPolarHBondContact O-CA 3.35Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 2.61Å; R258-Q266 VanDerWaalsContact NE-OE1 3.16Å; R258-Q266 WeakPolarHBondContact O-CG 3.47Å; R258-Q266 PolarHBondContact O-N 2.81Å
267	K	98.4	Very high	95.6	Very high	22 Å²	22	44.7 Å²	44.7	10%	0.096	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155	177.2	-162.7	-176.2	-171.7	69.7	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.79Å; A229-K267 PolarHBondContact O-N 3.01Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.4Å; V255-K267 WeakPolarHBondContact O-CG 3.07Å; V255-K267 PolarHBondContact O-NZ 2.6Å; T257-K267 WeakPolarHBondContact OG1-CD 3.31Å; T257-K267 PolarHBondContact OG1-NZ 3.5Å
268	W	98.1	Very high	95.5	Very high	25 Å²	25	43.7 Å²	43.7	10%	0.095	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	156.8	169.1	59.1	-98.3	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.2Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 WeakPolarHBondContact O-CB 3.2Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.27Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.1Å; E253-W268 HydrophobicContact CB-CZ3 4.27Å; E253-W268 VanDerWaalsContact CD-CH2 3.41Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.87Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.47Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.06Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.45Å; V255-W268 PolarHBondContact N-O 3.14Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
269	A	98.2	Very high	95.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132	174.4	0	0	0	0	0	108.7	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.09Å; C227-A269 PolarHBondContact N-O 3.33Å; C227-A269 PolarHBondContact O-N 3.31Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 3.17Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.6Å; E253-A269 WeakPolarHBondContact O-CA 3.48Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
270	A	97.8	Very high	95.4	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.8	-179.5	0	0	0	0	0	112.4	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.92Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.44Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.15Å; T252-A270 CarbonylContact C-O 3.45Å; T252-A270 WeakPolarHBondContact CA-O 3.45Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 2.66Å; E253-A270 PolarHBondContact O-N 2.82Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
271	V	97.6	Very high	95.5	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.024	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.2	174.7	-72.3	0	0	0	0	109.6	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.28Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.07Å; L225-V271 PolarHBondContact O-N 3.15Å; W241-V271 HydrophobicContact CB-CG1 3.68Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.29Å; W241-V271 HydrophobicContact CD2-CG2 3.61Å; W241-V271 HydrophobicContact CE3-CG2 3.99Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.58Å; W241-V271 HydrophobicContact CG-CG2 3.83Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; W241-V271 HydrophobicContact CZ3-CG2 4.47Å; Q248-V271 HydrophobicContact CB-CG1 4.48Å; T252-V271 HydrophobicContact CG2-CG1 4.3Å; T252-V271 VanDerWaalsContact OG1-CG1 3.23Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.39Å; V271-V273 HydrophobicContact CB-CG1 4.42Å; V271-V273 HydrophobicContact CG2-CG1 3.8Å; V271-Y281 HydrophobicContact CG2-CD1 4.18Å
272	V	97.1	Very high	95.8	Very high	79 Å²	79	38.5 Å²	38.5	48%	0.479	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.1	169.3	-178.6	0	0	0	0	107.9	E222	E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.33Å
273	V	96.4	Very high	96.1	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.6	-175.7	-53	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.3Å; A223-V273 HydrophobicContact CB-CG2 4.47Å; A223-V273 PolarHBondContact N-O 2.66Å; A223-V273 WeakPolarHBondContact O-CG2 3.47Å; A223-V273 PolarHBondContact O-N 3.32Å; L225-V273 HydrophobicContact CD1-CG1 4.05Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.22Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CB-CG1 4.42Å; V271-V273 HydrophobicContact CG2-CG1 3.8Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.76Å; V273-Y281 HydrophobicContact CG1-CD2 3.58Å; V273-Y281 HydrophobicContact CG1-CE1 3.69Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	96.1	Very high	96.5	Very high	47 Å²	47	32.8 Å²	32.8	31%	0.305	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	140.6	170.6	-20.3	32.3	0	0	0	111.2	H221 G276 E277	H221-P274 CarbonylContact O-C 3.6Å; H221-P274 WeakPolarHBondContact O-CA 3.33Å; P274-G276 PolarHBondContact O-N 2.76Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.28Å; P274-E277 PolarHBondContact O-N 2.78Å
275	S	92.4	Very high	96.6	Very high	53 Å²	53	32.4 Å²	32.4	37%	0.371	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	129.8	176.4	-62.5	0	0	0	0	111.3	H221 E222 E277 E278	H221-S275 PolarHBondContact O-N 3.38Å; E222-S275 PolarHBondContact N-OG 3.14Å; S275-E277 VanDerWaalsContact C-N 3.34Å; S275-E278 WeakPolarHBondContact CA-OE1 3.43Å
276	G	91.3	Very high	96.6	Very high	68 Å²	68	35 Å²	35	70%	0.701	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	-7.3	-176.2	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 2.76Å; G276-E278 WeakPolarHBondContact CA-OE2 3.4Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.36Å; G276-E278 PolarHBondContact N-OE2 2.94Å
277	E	95.3	Very high	96.4	Very high	54 Å²	54	33 Å²	33	25%	0.252	18%	0.183	S	C	.	.			trans	-100.5	4.2	175.6	-65.7	-159.9	-161.3	0	0	113.6	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.01Å; R243-E277 IonicContact NE-OE2 3.36Å; R243-E277 IonicContact NH2-OE1 3.78Å; R243-E277 IonicContact NH2-OE2 2.66Å; R243-E277 PolarHBondContact NH2-OE2 3.45Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.28Å; P274-E277 PolarHBondContact O-N 2.78Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.31Å; E277-R280 VanDerWaalsContact CD-NH1 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.4Å; E277-R280 PolarHBondContact O-N 3.21Å; E277-R280 IonicContact OE1-NH1 3.57Å; E277-R280 IonicContact OE2-CZ 3.52Å; E277-R280 IonicContact OE2-NE 2.77Å; E277-R280 IonicContact OE2-NH1 2.73Å; E277-R280 PolarHBondContact OE2-NH1 3.12Å; E277-Y281 HydrophobicContact CB-CE2 4.35Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å
278	E	94.8	Very high	96.1	Very high	19 Å²	19	35.7 Å²	35.7	9%	0.089	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-57.4	-33.1	-171.3	-57.6	82.1	-180	0	0	112.5	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.69Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CG 4.38Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.43Å; G276-E278 WeakPolarHBondContact CA-OE2 3.4Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.36Å; G276-E278 PolarHBondContact N-OE2 2.94Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 3.13Å; E278-Y281 PolarHBondContact O-N 2.84Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.4Å; E278-W298 VanDerWaalsContact CB-CE3 3.4Å; E278-W298 HydrophobicContact CB-CZ3 3.77Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.73Å
279	Q	95	Very high	95.7	Very high	89 Å²	89	35.4 Å²	35.4	42%	0.416	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-72.5	-14.8	-179.4	-63.2	-57.5	-47.3	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.31Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 3.36Å
280	R	96.6	Very high	95.5	Very high	97 Å²	97	36 Å²	36	37%	0.366	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-77.4	-15.9	173.2	-63.4	173.9	66.8	179.9	5.7	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.14Å; R243-R280 HydrophobicContact CG-CB 4.4Å; D244-R280 PolarHBondContact N-O 3.25Å; D244-R280 IonicContact OD1-NE 3.85Å; D244-R280 PolarHBondContact OD1-NE 3.09Å; D244-R280 IonicContact OD2-CZ 3.14Å; D244-R280 IonicContact OD2-NE 2.73Å; D244-R280 PolarHBondContact OD2-NE 2.97Å; D244-R280 IonicContact OD2-NH2 3.79Å; D244-R280 PolarHBondContact OD2-NH2 3.05Å; E277-R280 VanDerWaalsContact CD-NH1 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.4Å; E277-R280 PolarHBondContact O-N 3.21Å; E277-R280 IonicContact OE1-NH1 3.57Å; E277-R280 IonicContact OE2-CZ 3.52Å; E277-R280 IonicContact OE2-NE 2.77Å; E277-R280 IonicContact OE2-NH1 2.73Å; E277-R280 PolarHBondContact OE2-NH1 3.12Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 3.13Å
281	Y	97.4	Very high	95.1	Very high	8 Å²	8	42.2 Å²	42.2	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.3	-177.6	-66.9	-98.4	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.24Å; Q242-Y281 WeakPolarHBondContact O-CA 3.41Å; R243-Y281 HydrophobicContact CB-CD1 4.04Å; R243-Y281 HydrophobicContact CB-CE1 3.82Å; R243-Y281 WeakPolarHBondContact CD-OH 3.25Å; R243-Y281 HydrophobicContact CG-CD1 4.38Å; R243-Y281 HydrophobicContact CG-CE1 3.97Å; R243-Y281 HydrophobicContact CG-CE2 4.16Å; R243-Y281 PolarHBondContact NE-OH 2.81Å; Q248-Y281 HydrophobicContact CG-CE1 4.41Å; V271-Y281 HydrophobicContact CG2-CD1 4.18Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.76Å; V273-Y281 HydrophobicContact CG1-CD2 3.58Å; V273-Y281 HydrophobicContact CG1-CE1 3.69Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.35Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å; E278-Y281 PolarHBondContact O-N 2.84Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	97.9	Very high	94.9	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.9	175.4	46.1	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.45Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; Q242-T282 PolarHBondContact N-O 2.84Å; Q242-T282 PolarHBondContact O-N 3.46Å; T282-H284 PolarHBondContact OG1-NE2 3.31Å; T282-T295 HydrophobicContact CG2-CG2 3.94Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 WeakPolarHBondContact CA-O 3.49Å; T282-R297 HydrophobicContact CG2-CG 3.6Å
283	C	98.1	Very high	94.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.4	169.7	174.8	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.27Å; C227-C283 WeakPolarHBondContact SG-CB 3.2Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.35Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.11Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.04Å; C283-T295 CarbonylContact O-C 3.53Å; C283-T295 WeakPolarHBondContact O-CA 3.34Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 2.92Å; C283-L296 PolarHBondContact O-N 3.16Å
284	H	97.7	Very high	94.8	Very high	34 Å²	34	51.5 Å²	51.5	16%	0.157	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.3	176.4	-62.7	-101.9	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.23Å; T240-H284 PolarHBondContact N-O 2.87Å; T240-H284 PolarHBondContact O-N 3.05Å; T240-H284 WeakPolarHBondContact OG1-CB 3.32Å; Q242-H284 PolarHBondContact OE1-NE2 3.09Å; T282-H284 PolarHBondContact OG1-NE2 3.31Å; H284-L294 CarbonylContact C-O 3.56Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.43Å; H284-T295 PolarHBondContact CE1-OG1 3.35Å; H284-T295 PolarHBondContact ND1-OG1 3.43Å
285	V	97.8	Very high	94.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.7	-177.8	-174.3	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.94Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.14Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; T238-V285 WeakPolarHBondContact O-CA 3.42Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CG-CG2 4.33Å; V285-L290 HydrophobicContact CG1-CD1 4.3Å; V285-P293 WeakPolarHBondContact O-CA 3.35Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.5Å; V285-L294 PolarHBondContact O-N 3.08Å; V285-L296 HydrophobicContact CG2-CD1 4.02Å
286	Q	96.5	Very high	95	Very high	78 Å²	78	52.4 Å²	52.4	36%	0.364	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.7	174.4	-56.3	178	16.1	0	0	109	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.47Å; T238-Q286 PolarHBondContact N-O 2.83Å; T238-Q286 PolarHBondContact O-N 3.44Å; Q286-P293 HydrophobicContact CG-CB 3.97Å; Q286-P293 HydrophobicContact CG-CG 4.09Å
287	H	94.8	Very high	95.2	Very high	3 Å²	3	56 Å²	56	1%	0.014	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	140.2	-176.3	-177.7	-96.3	0	0	0	109.7	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.33Å; W23-H287 WeakPolarHBondContact CZ3-O 3.17Å; E207-H287 PolarHBondContact O-CE1 2.74Å; P209-H287 HydrophobicContact CG-CB 4.04Å; F232-H287 AromaticContact CD2-CD2 3.76Å; F232-H287 AromaticContact CD2-NE2 3.67Å; Y233-H287 PolarHBondContact O-CE1 3.36Å; P234-H287 PolarHBondContact O-NE2 3.49Å; E236-H287 PolarHBondContact O-CD2 3.46Å; I237-H287 HydrophobicContact CD1-CB 4.21Å; I237-H287 HydrophobicContact CG1-CB 4.01Å; H287-G289 PolarHBondContact CE1-N 3.03Å; H287-G289 PolarHBondContact ND1-N 3.44Å; H287-G289 PolarHBondContact O-N 3.25Å; H287-L290 HydrophobicContact CB-CD1 4.01Å; H287-L290 HydrophobicContact CB-CG 4.26Å; H287-L290 WeakPolarHBondContact O-CB 3.39Å; H287-L290 PolarHBondContact O-N 3.09Å
288	E	90.7	Very high	95.2	Very high	77 Å²	77	55.7 Å²	55.7	36%	0.36	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-29.1	-176.7	-167.7	-178.8	153.5	0	0	114.7	W23 C25 L290	W23-E288 HydrophobicContact CE3-CB 4.3Å; W23-E288 HydrophobicContact CE3-CG 3.98Å; W23-E288 VanDerWaalsContact CH2-CA 3.48Å; W23-E288 HydrophobicContact CZ3-CB 4.33Å; W23-E288 HydrophobicContact CZ3-CG 4.37Å; W23-E288 WeakPolarHBondContact CZ3-O 3.39Å; C25-E288 PolarHBondContact SG-OE1 2.88Å; E288-L290 PolarHBondContact O-N 3.16Å
289	G	90.6	Very high	95	Very high	20 Å²	20	62.7 Å²	62.7	21%	0.206	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-5.4	177.1	0	0	0	0	0	114.8	H287	H287-G289 PolarHBondContact CE1-N 3.03Å; H287-G289 PolarHBondContact ND1-N 3.44Å; H287-G289 PolarHBondContact O-N 3.25Å
290	L	93	Very high	94.3	Very high	12 Å²	12	62.3 Å²	62.3	6%	0.063	32%	0.318	C	S	.	.			trans	-102.7	126	-179.4	-65.3	170.8	0	0	0	110.9	W23 H208 P209 V285 H287 E288 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.41Å; W23-L290 WeakPolarHBondContact CZ3-O 3.18Å; H208-L290 HydrophobicContact CB-CD2 3.94Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.23Å; V285-L290 HydrophobicContact CG1-CD1 4.3Å; H287-L290 HydrophobicContact CB-CD1 4.01Å; H287-L290 HydrophobicContact CB-CG 4.26Å; H287-L290 WeakPolarHBondContact O-CB 3.39Å; H287-L290 PolarHBondContact O-N 3.09Å; E288-L290 PolarHBondContact O-N 3.16Å; L290-E292 PolarHBondContact O-N 3.46Å; L290-L294 HydrophobicContact CD1-CD1 3.95Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CD2 4.48Å; L290-L294 HydrophobicContact CD2-CG 3.93Å; L290-L294 HydrophobicContact CG-CD1 4.49Å
291	P	91	Very high	92.7	Very high	132 Å²	132	62.4 Å²	62.4	86%	0.857	33%	0.333	S	S	*	.	S	Bend	trans	-65.6	-29.2	176.3	27.3	-34.4	0	0	0	112.5
292	E	92	Very high	90.4	Very high	150 Å²	150	67.3 Å²	67.3	70%	0.701	37%	0.369	S	S	*	.	S	Bend	trans	-140.5	148.5	175.4	-66.2	-177	178.6	0	0	109.7	L290 L294	L290-E292 PolarHBondContact O-N 3.46Å; E292-L294 PolarHBondContact O-N 2.97Å
293	P	94.8	Very high	87.9	Confident	70 Å²	70	74.3 Å²	74.3	46%	0.455	40%	0.401	S	S	.	.			trans	-54.3	135.6	173.8	-27.7	36.4	0	0	0	112.7	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.35Å; Q286-P293 HydrophobicContact CG-CB 3.97Å; Q286-P293 HydrophobicContact CG-CG 4.09Å
294	L	96.4	Very high	85.3	Confident	59 Å²	59	79.4 Å²	79.4	31%	0.309	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	139.9	175.3	-63.7	177.8	0	0	0	110.4	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.44Å; H284-L294 CarbonylContact C-O 3.56Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.43Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.5Å; V285-L294 PolarHBondContact O-N 3.08Å; L290-L294 HydrophobicContact CD1-CD1 3.95Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CD2 4.48Å; L290-L294 HydrophobicContact CD2-CG 3.93Å; L290-L294 HydrophobicContact CG-CD1 4.49Å; E292-L294 PolarHBondContact O-N 2.97Å
295	T	97.4	Very high	83.2	Confident	83 Å²	83	84 Å²	84	51%	0.509	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120	170.7	-56.5	0	0	0	0	108.8	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.94Å; C283-T295 CarbonylContact O-C 3.53Å; C283-T295 WeakPolarHBondContact O-CA 3.34Å; H284-T295 PolarHBondContact CE1-OG1 3.35Å; H284-T295 PolarHBondContact ND1-OG1 3.43Å
296	L	96.7	Very high	81.1	Confident	36 Å²	36	89.1 Å²	89.1	19%	0.188	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143	-174.1	-59.9	157.1	0	0	0	110	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.41Å; T211-L296 HydrophobicContact CG2-CD1 4.17Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.49Å; V213-L296 HydrophobicContact CG2-CB 3.92Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 WeakPolarHBondContact CA-O 3.49Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 2.92Å; C283-L296 PolarHBondContact O-N 3.16Å; V285-L296 HydrophobicContact CG2-CD1 4.02Å
297	R	95.7	Very high	79.4	Confident	145 Å²	145	89.5 Å²	89.5	55%	0.547	50%	0.5	S	S	.	.			trans	-118.8	160.7	167.2	-70.6	-174.8	176.4	165.9	-0.9	109.2	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.6Å; R297-E299 PolarHBondContact O-N 3.02Å
298	W	95.4	Very high	77.8	Confident	46 Å²	46	95.1 Å²	95.1	17%	0.174	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-69.8	121.9	168.1	170.5	57.5	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.43Å; V213-W298 HydrophobicContact CG1-CB 3.83Å; H215-W298 HydrophobicContact CB-CD2 4.12Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 4.04Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.92Å; L225-W298 HydrophobicContact CD1-CB 4.45Å; L225-W298 HydrophobicContact CD2-CB 3.85Å; L225-W298 HydrophobicContact CD2-CD2 4.37Å; L225-W298 HydrophobicContact CD2-CG 3.97Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.4Å; E278-W298 VanDerWaalsContact CB-CE3 3.4Å; E278-W298 HydrophobicContact CB-CZ3 3.77Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.73Å; Q279-W298 PolarHBondContact NE2-O 3.36Å; W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.33Å; W298-P300 HydrophobicContact CH2-CG 3.94Å; W298-P300 HydrophobicContact CZ2-CB 4.1Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 4.12Å
299	E	88.8	Confident	76.4	Confident	167 Å²	167	97.4 Å²	97.4	78%	0.78	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-100.4	120	170	-71.9	-177.2	174.9	0	0	109.4	R297 S301	R297-E299 PolarHBondContact O-N 3.02Å; E299-S301 PolarHBondContact O-N 3.49Å
300	P	80.3	Confident	75.2	Confident	80 Å²	80	98.4 Å²	98.4	52%	0.519	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-59.5	125.2	170.9	-19.6	30.6	0	0	0	109.1	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.33Å; W298-P300 HydrophobicContact CH2-CG 3.94Å; W298-P300 HydrophobicContact CZ2-CB 4.1Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 4.12Å; P300-S302 PolarHBondContact O-N 3.44Å
301	S	63.5	Low	74.3	Confident	99 Å²	99	102.4 Å²	102.4	69%	0.692	58%	0.579	S	S	*	*			trans	-48.4	106.2	176.4	169.4	0	0	0	0	110.5	E299 Q303	E299-S301 PolarHBondContact O-N 3.49Å; S301-Q303 PolarHBondContact O-N 3.03Å; S301-Q303 PolarHBondContact OG-N 3.47Å
302	S	49.2	Very low	73.6	Confident	111 Å²	111	100.4 Å²	100.4	78%	0.776	56%	0.564	S	S	*	*			trans	-81.3	64.8	166.1	61.5	0	0	0	0	108.1	P300 P304	P300-S302 PolarHBondContact O-N 3.44Å; S302-P304 WeakPolarHBondContact O-CD 3.24Å
303	Q	46.1	Very low	72.8	Confident	159 Å²	159	95.8 Å²	95.8	74%	0.743	55%	0.551	S	S	*	*			trans	-67.8	111.3	155.9	-85.7	-173.3	-15	0	0	105.9	S301 T305	S301-Q303 PolarHBondContact O-N 3.03Å; S301-Q303 PolarHBondContact OG-N 3.47Å; Q303-T305 PolarHBondContact O-N 3.22Å
304	P	43.9	Very low	72.2	Confident	106 Å²	106	94.1 Å²	94.1	69%	0.688	55%	0.547	S	S	*	.			trans	-59.3	116.3	166.2	25.8	-29.9	0	0	0	104.7	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.24Å; P304-I306 PolarHBondContact O-N 2.88Å
305	T	51.7	Low	71.6	Confident	132 Å²	132	96.6 Å²	96.6	81%	0.81	56%	0.56	S	S	*	*			trans	-65.1	84.7	162.3	-51.7	0	0	0	0	104.2	Q303 P307	Q303-T305 PolarHBondContact O-N 3.22Å; T305-P307 VanDerWaalsContact O-CD 3.29Å; T305-P307 WeakPolarHBondContact O-CD 3.35Å
306	I	55.6	Low	70.9	Confident	107 Å²	107	95.2 Å²	95.2	55%	0.549	56%	0.557	S	S	.	*			trans	-51.6	119.1	168.4	-63.5	175	0	0	0	103.1	P304 I308 I311	P304-I306 PolarHBondContact O-N 2.88Å; I306-I308 HydrophobicContact CG2-CG1 4.49Å; I306-I308 PolarHBondContact O-N 3.41Å; I306-I311 HydrophobicContact CG2-CD1 3.95Å
307	P	58.9	Low	70.4	Confident	86 Å²	86	97.7 Å²	97.7	56%	0.558	57%	0.573	S	S	*	*			trans	-73.6	80.3	-176.3	29.6	-32.5	0	0	0	106.6	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.29Å; T305-P307 WeakPolarHBondContact O-CD 3.35Å; P307-V309 PolarHBondContact O-N 3.37Å; P307-V309 VanDerWaalsContact O-N 3.13Å; P307-G310 WeakPolarHBondContact O-CA 3.5Å; P307-G310 PolarHBondContact O-N 3.45Å; P307-I311 PolarHBondContact O-N 3.19Å
308	I	61.6	Low	69.9	Low	121 Å²	121	96.2 Å²	96.2	62%	0.621	58%	0.575	S	S	*	*	H	α-helix	trans	-53.9	-34.2	176.6	-66.7	168.7	0	0	0	108.4	I306 G310 I311 V312	I306-I308 HydrophobicContact CG2-CG1 4.49Å; I306-I308 PolarHBondContact O-N 3.41Å; I308-G310 PolarHBondContact O-N 3.4Å; I308-I311 PolarHBondContact O-N 3.07Å; I308-V312 HydrophobicContact CG2-CG2 4.25Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 WeakPolarHBondContact O-CG2 3.23Å; I308-V312 PolarHBondContact O-N 2.89Å
309	V	61.5	Low	69.3	Low	124 Å²	124	96.6 Å²	96.6	75%	0.752	59%	0.589	S	S	*	*	H	α-helix	trans	-60.6	-41.2	172.9	-179.2	0	0	0	0	112.7	P307 A313	P307-V309 PolarHBondContact O-N 3.37Å; P307-V309 VanDerWaalsContact O-N 3.13Å; V309-A313 VanDerWaalsContact O-CB 3.24Å; V309-A313 WeakPolarHBondContact O-CB 3.46Å; V309-A313 PolarHBondContact O-N 3.04Å
310	G	66.6	Low	69.2	Low	42 Å²	42	92.8 Å²	92.8	43%	0.433	58%	0.577	S	S	.	*	H	α-helix	trans	-69.4	-37.9	179.2	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.5Å; P307-G310 PolarHBondContact O-N 3.45Å; I308-G310 PolarHBondContact O-N 3.4Å; G310-G314 PolarHBondContact O-N 3.27Å
311	I	74.2	Confident	69.4	Low	95 Å²	95	93.9 Å²	93.9	49%	0.487	58%	0.578	S	S	.	*	H	α-helix	trans	-69.9	-43.9	176.4	-61.6	174	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.95Å; P307-I311 PolarHBondContact O-N 3.19Å; I308-I311 PolarHBondContact O-N 3.07Å; I311-G314 PolarHBondContact O-N 3.09Å; I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 WeakPolarHBondContact O-CG 3.24Å; I311-L315 PolarHBondContact O-N 3.22Å
312	V	75.6	Confident	70.4	Confident	91 Å²	91	92.3 Å²	92.3	55%	0.552	57%	0.571	S	S	*	*	H	α-helix	trans	-65.1	-42.7	177.9	172.8	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.25Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 WeakPolarHBondContact O-CG2 3.23Å; I308-V312 PolarHBondContact O-N 2.89Å; V312-L315 PolarHBondContact O-N 3.28Å; V312-A316 WeakPolarHBondContact O-CB 3.48Å; V312-A316 PolarHBondContact O-N 2.92Å
313	A	75.5	Confident	72	Confident	53 Å²	53	91.5 Å²	91.5	44%	0.438	56%	0.561	S	S	.	*	H	α-helix	trans	-63.1	-43.2	174.8	0	0	0	0	0	111.9	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.24Å; V309-A313 WeakPolarHBondContact O-CB 3.46Å; V309-A313 PolarHBondContact O-N 3.04Å; A313-A316 PolarHBondContact O-N 3.23Å; A313-V317 WeakPolarHBondContact O-CG2 3.38Å; A313-V317 PolarHBondContact O-N 2.92Å
314	G	80.7	Confident	73.6	Confident	35 Å²	35	88.6 Å²	88.6	36%	0.361	55%	0.55	S	S	.	.	H	α-helix	trans	-61.8	-43.6	176.8	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.27Å; I311-G314 PolarHBondContact O-N 3.09Å; G314-V317 PolarHBondContact O-N 3.48Å; G314-L318 PolarHBondContact O-N 3.26Å
315	L	85.3	Confident	75.4	Confident	111 Å²	111	85.5 Å²	85.5	58%	0.581	54%	0.537	S	S	*	.	H	α-helix	trans	-66.8	-38.2	176.8	-72.8	172.3	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 WeakPolarHBondContact O-CG 3.24Å; I311-L315 PolarHBondContact O-N 3.22Å; V312-L315 PolarHBondContact O-N 3.28Å; L315-L318 PolarHBondContact O-N 2.81Å; L315-A319 WeakPolarHBondContact O-CB 3.05Å; L315-A319 PolarHBondContact O-N 2.79Å
316	A	82.7	Confident	76.7	Confident	54 Å²	54	81.9 Å²	81.9	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-63.2	-42.8	175.6	0	0	0	0	0	111.8	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.48Å; V312-A316 PolarHBondContact O-N 2.92Å; A313-A316 PolarHBondContact O-N 3.23Å; A316-A319 PolarHBondContact O-N 3.37Å; A316-V320 WeakPolarHBondContact O-CG2 3.35Å; A316-V320 PolarHBondContact O-N 3Å
317	V	85.4	Confident	77.8	Confident	87 Å²	87	80.7 Å²	80.7	53%	0.527	52%	0.518	S	S	.	.	H	α-helix	trans	-64	-44.3	176.4	173.3	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.38Å; A313-V317 PolarHBondContact O-N 2.92Å; G314-V317 PolarHBondContact O-N 3.48Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.37Å; V317-V320 PolarHBondContact O-N 3.44Å; V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 HydrophobicContact CG1-CG 4.43Å; V317-L321 WeakPolarHBondContact O-CG 3.49Å; V317-L321 PolarHBondContact O-N 3.43Å
318	L	84.6	Confident	78.7	Confident	114 Å²	114	80.6 Å²	80.6	60%	0.597	52%	0.516	S	S	*	.	H	α-helix	trans	-60.7	-41.6	176.2	-88	162.4	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.26Å; L315-L318 PolarHBondContact O-N 2.81Å; L318-L321 PolarHBondContact O-N 3.34Å; L318-A322 WeakPolarHBondContact O-CB 3.49Å; L318-A322 PolarHBondContact O-N 3.27Å
319	A	84.6	Confident	79.3	Confident	55 Å²	55	77.3 Å²	77.3	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-43.6	176.4	0	0	0	0	0	111.8	L315 A316 V317 L321 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.05Å; L315-A319 PolarHBondContact O-N 2.79Å; A316-A319 PolarHBondContact O-N 3.37Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.37Å; A319-L321 PolarHBondContact O-N 3.42Å; A319-A322 PolarHBondContact O-N 3Å; A319-V323 WeakPolarHBondContact O-CG2 3.42Å; A319-V323 PolarHBondContact O-N 3.47Å
320	V	85.3	Confident	79.9	Confident	87 Å²	87	75.2 Å²	75.2	53%	0.527	49%	0.494	S	S	.	.	H	α-helix	trans	-62.4	-43.7	176.5	172	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.35Å; A316-V320 PolarHBondContact O-N 3Å; V317-V320 PolarHBondContact O-N 3.44Å; V320-A322 PolarHBondContact O-N 3.2Å; V320-V323 PolarHBondContact O-N 2.94Å; V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 WeakPolarHBondContact O-CG 3.23Å; V320-L324 PolarHBondContact O-N 3.13Å
321	L	85.4	Confident	80.2	Confident	103 Å²	103	76.9 Å²	76.9	54%	0.539	50%	0.496	S	S	.	.	H	α-helix	trans	-64.6	-39	177.2	-70.9	174.1	0	0	0	112.4	V317 L318 A319 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 HydrophobicContact CG1-CG 4.43Å; V317-L321 WeakPolarHBondContact O-CG 3.49Å; V317-L321 PolarHBondContact O-N 3.43Å; L318-L321 PolarHBondContact O-N 3.34Å; A319-L321 PolarHBondContact O-N 3.42Å; L321-L324 PolarHBondContact O-N 3.08Å; L321-G325 PolarHBondContact O-N 3.25Å
322	A	83.1	Confident	80	Confident	66 Å²	66	78.7 Å²	78.7	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-64.2	-42.1	175.9	0	0	0	0	0	111.9	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.49Å; L318-A322 PolarHBondContact O-N 3.27Å; A319-A322 PolarHBondContact O-N 3Å; V320-A322 PolarHBondContact O-N 3.2Å; A322-G325 PolarHBondContact O-N 3.21Å; A322-A326 WeakPolarHBondContact O-CB 3.37Å; A322-A326 PolarHBondContact O-N 2.94Å
323	V	82.8	Confident	79.4	Confident	93 Å²	93	78.5 Å²	78.5	56%	0.564	51%	0.506	S	S	*	.	H	α-helix	trans	-64.5	-45.1	175.8	173.4	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.42Å; A319-V323 PolarHBondContact O-N 3.47Å; V320-V323 PolarHBondContact O-N 2.94Å; V323-G325 PolarHBondContact O-N 3.48Å; V323-A326 PolarHBondContact O-N 3.11Å; V323-V327 HydrophobicContact CG1-CG2 4.47Å; V323-V327 VanDerWaalsContact O-CG2 3.3Å; V323-V327 WeakPolarHBondContact O-CG2 3.11Å; V323-V327 PolarHBondContact O-N 2.85Å
324	L	81.4	Confident	78.8	Confident	99 Å²	99	85 Å²	85	52%	0.518	52%	0.519	S	S	.	.	H	α-helix	trans	-61.4	-43.5	175.9	-74.5	168	0	0	0	111.7	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 WeakPolarHBondContact O-CG 3.23Å; V320-L324 PolarHBondContact O-N 3.13Å; L321-L324 PolarHBondContact O-N 3.08Å; L324-A326 PolarHBondContact O-N 2.79Å; L324-V327 PolarHBondContact O-N 2.73Å; L324-V328 WeakPolarHBondContact O-CG2 3.42Å; L324-V328 PolarHBondContact O-N 3.09Å
325	G	81.4	Confident	77.6	Confident	41 Å²	41	93.3 Å²	93.3	42%	0.423	54%	0.539	S	S	.	.	H	α-helix	trans	-59.9	-43.4	175	0	0	0	0	0	112.7	L321 A322 V323 V328 A329	L321-G325 PolarHBondContact O-N 3.25Å; A322-G325 PolarHBondContact O-N 3.21Å; V323-G325 PolarHBondContact O-N 3.48Å; G325-V328 PolarHBondContact O-N 3.04Å; G325-A329 WeakPolarHBondContact O-CB 3.5Å; G325-A329 PolarHBondContact O-N 3.08Å
326	A	78.4	Confident	76	Confident	56 Å²	56	96.9 Å²	96.9	46%	0.463	55%	0.55	S	S	.	.	H	α-helix	trans	-64.5	-41.6	175.8	0	0	0	0	0	112.3	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.37Å; A322-A326 PolarHBondContact O-N 2.94Å; V323-A326 PolarHBondContact O-N 3.11Å; L324-A326 PolarHBondContact O-N 2.79Å; A326-A329 PolarHBondContact O-N 2.95Å; A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.3Å; A326-V330 PolarHBondContact O-N 2.79Å
327	V	79.2	Confident	74.5	Confident	81 Å²	81	98.9 Å²	98.9	49%	0.491	56%	0.561	S	S	.	*	H	α-helix	trans	-63.1	-44.9	176.3	171.5	0	0	0	0	110.8	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.47Å; V323-V327 VanDerWaalsContact O-CG2 3.3Å; V323-V327 WeakPolarHBondContact O-CG2 3.11Å; V323-V327 PolarHBondContact O-N 2.85Å; L324-V327 PolarHBondContact O-N 2.73Å; V327-A329 PolarHBondContact O-N 3.3Å; V327-V330 PolarHBondContact O-N 3.22Å; V327-V331 HydrophobicContact CG1-CG2 4.41Å; V327-V331 WeakPolarHBondContact O-CB 3.18Å; V327-V331 VanDerWaalsContact O-CG2 3.28Å; V327-V331 WeakPolarHBondContact O-CG2 3.37Å; V327-V331 PolarHBondContact O-N 3.29Å
328	V	77.4	Confident	72.8	Confident	85 Å²	85	99.6 Å²	99.6	52%	0.515	57%	0.57	S	S	.	*	H	α-helix	trans	-61.8	-44.1	176.2	172.8	0	0	0	0	110.9	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.42Å; L324-V328 PolarHBondContact O-N 3.09Å; G325-V328 PolarHBondContact O-N 3.04Å; V328-V330 PolarHBondContact O-N 2.91Å; V328-V331 PolarHBondContact O-N 3.04Å; V328-M332 HydrophobicContact CG1-CG 4.41Å; V328-M332 HydrophobicContact CG1-SD 4.22Å; V328-M332 WeakPolarHBondContact O-CB 3.35Å; V328-M332 WeakPolarHBondContact O-CG 3.41Å; V328-M332 PolarHBondContact O-N 2.73Å
329	A	73.9	Confident	71	Confident	52 Å²	52	97.3 Å²	97.3	43%	0.43	57%	0.574	S	S	.	*	H	α-helix	trans	-61.1	-43.1	176.6	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.5Å; G325-A329 PolarHBondContact O-N 3.08Å; A326-A329 PolarHBondContact O-N 2.95Å; V327-A329 PolarHBondContact O-N 3.3Å; A329-M332 PolarHBondContact O-N 3.08Å; A329-C333 WeakPolarHBondContact O-CB 3.49Å; A329-C333 PolarHBondContact O-N 2.95Å; A329-C333 PolarHBondContact O-SG 3.39Å
330	V	73.6	Confident	68.7	Low	80 Å²	80	98.8 Å²	98.8	49%	0.485	59%	0.594	S	S	.	*	H	α-helix	trans	-65.1	-41.4	176.2	170.1	0	0	0	0	111.5	A326 V327 V328 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.3Å; A326-V330 PolarHBondContact O-N 2.79Å; V327-V330 PolarHBondContact O-N 3.22Å; V328-V330 PolarHBondContact O-N 2.91Å; V330-C333 PolarHBondContact O-N 2.89Å; V330-R334 WeakPolarHBondContact O-CB 3.39Å; V330-R334 WeakPolarHBondContact O-CG 3.24Å; V330-R334 PolarHBondContact O-N 3.23Å
331	V	73	Confident	66.3	Low	77 Å²	77	105 Å²	105	47%	0.467	61%	0.614	S	S	.	*	H	α-helix	trans	-66.6	-39.7	177.2	171.1	0	0	0	0	111.2	V327 V328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.41Å; V327-V331 WeakPolarHBondContact O-CB 3.18Å; V327-V331 VanDerWaalsContact O-CG2 3.28Å; V327-V331 WeakPolarHBondContact O-CG2 3.37Å; V327-V331 PolarHBondContact O-N 3.29Å; V328-V331 PolarHBondContact O-N 3.04Å; V331-R334 PolarHBondContact O-N 3.42Å; V331-R335 PolarHBondContact O-N 2.86Å
332	M	71.7	Confident	63.9	Low	132 Å²	132	104 Å²	104	65%	0.65	63%	0.628	S	S	*	*	H	α-helix	trans	-66.9	-41.4	174.5	-73.2	-171.8	72.2	0	0	112.2	V328 A329 R334 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.41Å; V328-M332 HydrophobicContact CG1-SD 4.22Å; V328-M332 WeakPolarHBondContact O-CB 3.35Å; V328-M332 WeakPolarHBondContact O-CG 3.41Å; V328-M332 PolarHBondContact O-N 2.73Å; A329-M332 PolarHBondContact O-N 3.08Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 3.19Å; M332-R335 PolarHBondContact O-N 3.43Å; M332-K336 WeakPolarHBondContact O-CB 3.32Å; M332-K336 PolarHBondContact O-N 3.03Å
333	C	62.5	Low	61.5	Low	88 Å²	88	105 Å²	105	60%	0.595	65%	0.645	S	S	*	*	H	α-helix	trans	-62	-40.2	172.9	-79.7	0	0	0	0	111.8	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.49Å; A329-C333 PolarHBondContact O-N 2.95Å; A329-C333 PolarHBondContact O-SG 3.39Å; V330-C333 PolarHBondContact O-N 2.89Å; C333-K336 PolarHBondContact O-N 3.31Å; C333-S337 PolarHBondContact O-N 3.21Å; C333-S337 PolarHBondContact O-OG 3.33Å
334	R	61.8	Low	59.2	Low	190 Å²	190	106 Å²	106	72%	0.717	66%	0.656	S	S	*	*	H	α-helix	trans	-68.8	-33.9	175.6	-79.8	-173.5	146.4	159.8	-3.2	113.6	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.39Å; V330-R334 WeakPolarHBondContact O-CG 3.24Å; V330-R334 PolarHBondContact O-N 3.23Å; V331-R334 PolarHBondContact O-N 3.42Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 3.19Å; R334-K336 VanDerWaalsContact C-N 3.32Å; R334-S337 WeakPolarHBondContact CA-OG 3.44Å; R334-S337 PolarHBondContact O-OG 3.07Å
335	R	56.8	Low	56.9	Low	208 Å²	208	106.8 Å²	106.8	79%	0.785	67%	0.669	S	S	*	*	H	α-helix	trans	-69	-29.2	170.9	-104.1	-177	169.7	175	-2.4	112.7	V331 M332 S338	V331-R335 PolarHBondContact O-N 2.86Å; M332-R335 PolarHBondContact O-N 3.43Å; R335-S338 PolarHBondContact O-OG 3.2Å
336	K	50.6	Low	54.5	Low	186 Å²	186	111.1 Å²	111.1	81%	0.809	69%	0.693	S	S	*	*	H	α-helix	trans	-83.6	-22.4	178.7	-161.3	169.1	-179	178.4	0	113.1	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.32Å; M332-K336 PolarHBondContact O-N 3.03Å; C333-K336 PolarHBondContact O-N 3.31Å; R334-K336 VanDerWaalsContact C-N 3.32Å
337	S	51.8	Low	52.4	Low	96 Å²	96	117.3 Å²	117.3	67%	0.671	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	1.2	177.4	58.3	0	0	0	0	115.2	C333 R334	C333-S337 PolarHBondContact O-N 3.21Å; C333-S337 PolarHBondContact O-OG 3.33Å; R334-S337 WeakPolarHBondContact CA-OG 3.44Å; R334-S337 PolarHBondContact O-OG 3.07Å
338	S	49.4	Very low	50.1	Low	103 Å²	103	118 Å²	118	72%	0.72	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	19.8	176.5	69.4	0	0	0	0	114.3	R335	R335-S338 PolarHBondContact O-OG 3.2Å
339	G	46	Very low	47.8	Very low	66 Å²	66	118.4 Å²	118.4	68%	0.68	74%	0.738	S	S	*	*	S	Bend	trans	-156.7	106.2	174	0	0	0	0	0	112.5
340	G	36.6	Very low	46.3	Very low	86 Å²	86	121.4 Å²	121.4	89%	0.887	76%	0.756	S	S	*	*			trans	133.9	115.3	161.2	0	0	0	0	0	114.9
341	K	36.3	Very low	44.3	Very low	218 Å²	218	123.2 Å²	123.2	95%	0.948	77%	0.772	S	S	*	*			trans	-102.2	141.1	-174.6	-175.7	163.7	179.8	171.3	0	110
342	G	35.1	Very low	42.7	Very low	80 Å²	80	127.4 Å²	127.4	83%	0.825	79%	0.792	S	S	*	*			trans	112.7	134.3	146.8	0	0	0	0	0	117.6
343	G	31.5	Very low	41.1	Very low	87 Å²	87	127.1 Å²	127.1	90%	0.897	80%	0.803	S	S	*	*			trans	135.7	126.6	155.5	0	0	0	0	0	115
344	S	34.3	Very low	39.9	Very low	115 Å²	115	127.3 Å²	127.3	80%	0.804	81%	0.811	S	S	*	*			trans	-100.1	163	-164.7	178.9	0	0	0	0	114.7
345	C	34.3	Very low	38.7	Very low	116 Å²	116	127.7 Å²	127.7	78%	0.784	82%	0.821	S	S	*	*			trans	0.1	139.4	162.3	-74.1	0	0	0	0	121.9
346	S	31.1	Very low	37.5	Very low	132 Å²	132	121.1 Å²	121.1	92%	0.923	82%	0.818	S	S	*	*				-164.4	165	115.9	4	0	0	0	0	112.6
347	Q	34.3	Very low	36.8	Very low	186 Å²	186	117.4 Å²	117.4	87%	0.869	82%	0.815	S	S	*	*			trans	-114.9	161.4	-153.2	-172.2	-177.9	-0.7	0	0	112.2
348	A	29.4	Very low	36.1	Very low	95 Å²	95	120.3 Å²	120.3	79%	0.785	82%	0.823	S	S	*	*			trans	69.6	156.5	163.3	0	0	0	0	0	116.1
349	A	30.9	Very low	35.3	Very low	94 Å²	94	123.7 Å²	123.7	78%	0.777	83%	0.828	S	S	*	*			cis	-156.2	161.9	17.1	0	0	0	0	0	111.7
350	S	40.6	Very low	34.6	Very low	115 Å²	115	125.6 Å²	125.6	80%	0.804	83%	0.83	S	S	*	*			trans	-60.1	153.4	164.7	55.1	0	0	0	0	114.6
351	S	32.6	Very low	34.5	Very low	118 Å²	118	129.1 Å²	129.1	83%	0.825	83%	0.828	S	S	*	*			trans	-157.2	121.5	138.3	46.2	0	0	0	0	112.4
352	N	38.6	Very low	34.4	Very low	164 Å²	164	125.7 Å²	125.7	88%	0.877	82%	0.819	S	S	*	*			trans	-77.6	150.9	152.7	-84.7	-25.2	0	0	0	108.8
353	S	38.5	Very low	34.4	Very low	126 Å²	126	126.1 Å²	126.1	88%	0.881	82%	0.815	S	S	*	*			trans	-157.9	135.1	142.8	32.4	0	0	0	0	111.2
354	A	38.4	Very low	34.3	Very low	93 Å²	93	128.3 Å²	128.3	77%	0.769	82%	0.815	S	S	*	*			trans	-112.2	154.8	179.5	0	0	0	0	0	109.9
355	Q	35.4	Very low	34.3	Very low	198 Å²	198	132.2 Å²	132.2	93%	0.925	82%	0.817	S	S	*	*			trans	-177.1	119.4	149	-109.1	164.1	-18.7	0	0	106.2
356	G	31.2	Very low	34.4	Very low	69 Å²	69	134.9 Å²	134.9	71%	0.711	85%	0.848	S	S	*	*				88	124.1	68.5	0	0	0	0	0	107.9
357	S	37.1	Very low	34.6	Very low	109 Å²	109	135.1 Å²	135.1	76%	0.762	84%	0.844	S	S	*	*			cis	-166.3	155.5	38.6	-46.3	0	0	0	0	112
358	D	37.5	Very low	34.6	Very low	157 Å²	157	132.4 Å²	132.4	84%	0.84	84%	0.843	S	S	*	*			trans	42	141.6	144	-57.9	-28.8	0	0	0	121.5
359	E	32	Very low	34.9	Very low	174 Å²	174	134.4 Å²	134.4	81%	0.813	85%	0.846	S	S	*	*			cis	-172.5	145.2	49	-153.9	-177	169.9	0	0	112.4
360	S	31.5	Very low	35.1	Very low	105 Å²	105	136.8 Å²	136.8	73%	0.734	85%	0.85	S	S	*	*			trans	65.4	146.8	152	79.8	0	0	0	0	120.9
361	L	33.1	Very low	34.7	Very low	161 Å²	161	138.2 Å²	138.2	84%	0.843	85%	0.853	S	S	*	*			cis	-176.5	159.8	-21.4	-119	168.3	0	0	0	106.8
362	I	35.2	Very low	34.9	Very low	146 Å²	146	139.5 Å²	139.5	75%	0.749	85%	0.854	S	S	*	*			trans	82.6	100.8	162.6	-37.8	-162.7	0	0	0	116.8
363	A	34.8	Very low	34.6	Very low	89 Å²	89	137.8 Å²	137.8	74%	0.736	85%	0.853	S	S	*	*				64.9	136.6	82.4	0	0	0	0	0	113.9
364	C	29.9	Very low	34.3	Very low	133 Å²	133	138.7 Å²	138.7	90%	0.899	85%	0.851	S	S	*	*			cis	-156.5	167.9	35.8	-126.9	0	0	0	0	113.3
365	K	33.3	Very low	34	Very low	197 Å²	197	142.5 Å²	142.5	86%	0.857	86%	0.857	S	S	*	*			trans	-74.3	156.6	-179.4	-107.1	171.1	173.1	175.3	0	114.3
366	A	36.8	Very low	33.9	Very low	172 Å²	172	137.5 Å²	137.5	100%	1.421	85%	0.851	S	S	*	*			trans	50.5	0	139.2	0	0	0	0	0	119.2

Retrieved 366 of 366 residues in 1645.6 ms (Link to these results)

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