A0A060VD21_HUMAN Loading...

MHC class I antigen

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

AlphaFold DB , UniProt , Accession A0A060VD21, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	41.6	Very low	243 Å²	243	145.4 Å²	145.4	100%	1.197	73%	0.729	S	S	*	*				0	98.9	0	-75.3	165.4	162.1	0	0	108.2
2	R	32.7	Very low	41.8	Very low	251 Å²	251	144.2 Å²	144.2	95%	0.947	73%	0.726	S	S	*	*			trans	-89.6	109.7	169.1	-93.4	-179.3	172.9	164.2	-2.4	106.4	M4	R2-M4 PolarHBondContact O-N 3.19Å; R2-M4 VanDerWaalsContact O-N 3.08Å
3	V	36	Very low	41.5	Very low	140 Å²	140	140.8 Å²	140.8	85%	0.848	71%	0.711	S	S	*	*			trans	-69.1	104.2	171.3	178.5	0	0	0	0	106.4	A5	V3-A5 PolarHBondContact O-N 3.18Å
4	M	40.4	Very low	41.5	Very low	179 Å²	179	135.2 Å²	135.2	88%	0.882	69%	0.691	S	S	*	*			trans	-79.3	100	175	-143	165.6	66.5	0	0	106.2	R2	R2-M4 PolarHBondContact O-N 3.19Å; R2-M4 VanDerWaalsContact O-N 3.08Å
5	A	43.1	Very low	41.5	Very low	62 Å²	62	128.5 Å²	128.5	51%	0.512	67%	0.669	S	S	.	*			trans	-58.8	139.9	173.3	0	0	0	0	0	109.2	V3 R7	V3-A5 PolarHBondContact O-N 3.18Å; A5-R7 PolarHBondContact O-N 2.67Å
6	P	41.7	Very low	41.4	Very low	70 Å²	70	123.8 Å²	123.8	46%	0.455	65%	0.654	S	S	.	*			trans	-64.8	125.2	-177	-11.7	25.9	0	0	0	109.1	T8 L9	P6-T8 WeakPolarHBondContact CB-OG1 3.48Å; P6-T8 PolarHBondContact O-N 2.62Å; P6-L9 PolarHBondContact O-N 2.7Å
7	R	48.8	Very low	41.1	Very low	220 Å²	220	123.4 Å²	123.4	83%	0.83	65%	0.652	S	S	*	*	H	α-helix	trans	-54.9	-20.5	175	-82	178.1	163.4	143	-5.8	113.2	A5	A5-R7 PolarHBondContact O-N 2.67Å
8	T	47.8	Very low	40.9	Very low	99 Å²	99	119.8 Å²	119.8	61%	0.607	64%	0.643	S	S	*	*	H	α-helix	trans	-70.3	-30.8	173.3	35.5	0	0	0	0	113.8	P6 L12	P6-T8 WeakPolarHBondContact CB-OG1 3.48Å; P6-T8 PolarHBondContact O-N 2.62Å; T8-L12 PolarHBondContact O-N 2.91Å
9	L	40.2	Very low	40.9	Very low	104 Å²	104	118.5 Å²	118.5	55%	0.545	64%	0.635	S	S	.	*	H	α-helix	trans	-73.8	-32.5	179.3	-135.3	96.1	0	0	0	111.9	P6 L13	P6-L9 PolarHBondContact O-N 2.7Å; L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 PolarHBondContact O-N 2.78Å
10	I	45.5	Very low	40.6	Very low	102 Å²	102	117.6 Å²	117.6	52%	0.523	63%	0.634	S	S	.	*	H	α-helix	trans	-71.4	-36.6	-179.6	-63.1	172.4	0	0	0	110.8	S14	I10-S14 WeakPolarHBondContact O-CB 3.5Å; I10-S14 PolarHBondContact O-N 2.88Å; I10-S14 PolarHBondContact O-OG 2.92Å
11	L	47.3	Very low	40.5	Very low	129 Å²	129	119.6 Å²	119.6	68%	0.675	64%	0.64	S	S	*	*	H	α-helix	trans	-69.3	-38.1	176.6	-77.3	163.4	0	0	0	112.8	S14 G15	L11-S14 PolarHBondContact O-N 3.5Å; L11-G15 PolarHBondContact O-N 3.07Å
12	L	44.3	Very low	40.9	Very low	131 Å²	131	112.6 Å²	112.6	69%	0.686	61%	0.611	S	S	*	*	H	α-helix	trans	-66.3	-38.5	175.6	-75.4	165.3	0	0	0	112.3	T8 S14 A16	T8-L12 PolarHBondContact O-N 2.91Å; L12-S14 VanDerWaalsContact C-N 3.34Å; L12-A16 WeakPolarHBondContact O-CB 3.32Å; L12-A16 PolarHBondContact O-N 3.04Å; L12-A16 VanDerWaalsContact O-N 3.11Å
13	L	37.2	Very low	41.8	Very low	101 Å²	101	105 Å²	105	53%	0.529	58%	0.582	S	S	.	*	H	α-helix	trans	-69.3	-31.9	173.6	-79	158.4	0	0	0	112.4	L9 L17	L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 PolarHBondContact O-N 2.78Å; L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CD1 3.12Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.48Å
14	S	42.1	Very low	42.6	Very low	62 Å²	62	100.7 Å²	100.7	43%	0.434	56%	0.561	S	S	.	*	H	α-helix	trans	-70.7	-39.9	177	-51.5	0	0	0	0	112.1	I10 L11 L12 A18	I10-S14 WeakPolarHBondContact O-CB 3.5Å; I10-S14 PolarHBondContact O-N 2.88Å; I10-S14 PolarHBondContact O-OG 2.92Å; L11-S14 PolarHBondContact O-N 3.5Å; L12-S14 VanDerWaalsContact C-N 3.34Å; S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 3.03Å
15	G	41.9	Very low	44.1	Very low	35 Å²	35	95.1 Å²	95.1	36%	0.361	54%	0.539	S	S	.	.	H	α-helix	trans	-67	-41.7	174.3	0	0	0	0	0	112.4	L11 L19	L11-G15 PolarHBondContact O-N 3.07Å; G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.47Å; G15-L19 WeakPolarHBondContact O-CG 3.38Å; G15-L19 PolarHBondContact O-N 3.35Å
16	A	39.2	Very low	46.4	Very low	53 Å²	53	95.4 Å²	95.4	44%	0.438	54%	0.537	S	S	.	.	H	α-helix	trans	-66.2	-40.5	176.6	0	0	0	0	0	112.8	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.32Å; L12-A16 PolarHBondContact O-N 3.04Å; L12-A16 VanDerWaalsContact O-N 3.11Å; A16-L19 PolarHBondContact O-N 3.24Å; A16-T20 WeakPolarHBondContact O-CG2 3.21Å; A16-T20 PolarHBondContact O-N 3.03Å; A16-T20 PolarHBondContact O-OG1 2.92Å
17	L	36.4	Very low	48.9	Very low	116 Å²	116	93.5 Å²	93.5	61%	0.607	52%	0.522	S	S	*	.	H	α-helix	trans	-69.3	-37.7	177.3	-79.6	161.2	0	0	0	112.6	L13 L19 T20	L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CD1 3.12Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.48Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.89Å; L17-T20 PolarHBondContact O-OG1 3.2Å
18	A	37.8	Very low	51.2	Low	60 Å²	60	83.5 Å²	83.5	50%	0.496	49%	0.486	S	S	.	.	H	α-helix	trans	-67.8	-30.2	174.2	0	0	0	0	0	112.8	S14	S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 3.03Å
19	L	40	Very low	53.7	Low	95 Å²	95	78.8 Å²	78.8	50%	0.497	46%	0.457	S	S	.	.	H	α-helix	trans	-82.7	-25.4	179	-80.3	160.1	0	0	0	113.6	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.47Å; G15-L19 WeakPolarHBondContact O-CG 3.38Å; G15-L19 PolarHBondContact O-N 3.35Å; A16-L19 PolarHBondContact O-N 3.24Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.89Å; L19-T22 PolarHBondContact O-OG1 3.41Å; L19-T22 VanDerWaalsContact O-OG1 3.13Å
20	T	36.7	Very low	56.4	Low	100 Å²	100	77 Å²	77	61%	0.613	44%	0.443	S	S	*	.	H	α-helix	trans	-75.6	-23.1	173.8	47.9	0	0	0	0	113.3	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.21Å; A16-T20 PolarHBondContact O-N 3.03Å; A16-T20 PolarHBondContact O-OG1 2.92Å; L17-T20 PolarHBondContact O-OG1 3.2Å; T20-T22 VanDerWaalsContact C-N 3.34Å
21	E	37.4	Very low	59	Low	160 Å²	160	72.4 Å²	72.4	75%	0.748	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-73.5	-22.3	177.6	-100.2	-175.9	164.9	0	0	113.3	W23	E21-W23 VanDerWaalsContact C-N 3.25Å; E21-W23 PolarHBondContact O-N 3.03Å
22	T	42.8	Very low	61.4	Low	96 Å²	96	70.2 Å²	70.2	59%	0.589	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-81.3	2.2	-174	58.3	0	0	0	0	114.7	L19 T20	L19-T22 PolarHBondContact O-OG1 3.41Å; L19-T22 VanDerWaalsContact O-OG1 3.13Å; T20-T22 VanDerWaalsContact C-N 3.34Å
23	W	51.4	Low	64	Low	91 Å²	91	64.3 Å²	64.3	35%	0.345	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-126.3	18.2	-176.6	-66.3	71.4	0	0	0	112.9	E21 C25 Q286 H287 E288 L290	E21-W23 VanDerWaalsContact C-N 3.25Å; E21-W23 PolarHBondContact O-N 3.03Å; W23-C25 PolarHBondContact O-N 3.35Å; W23-C25 VanDerWaalsContact O-N 3.11Å; W23-Q286 HydrophobicContact CZ2-CB 4.48Å; W23-H287 WeakPolarHBondContact CH2-O 3.41Å; W23-H287 WeakPolarHBondContact CZ3-O 3.44Å; W23-E288 HydrophobicContact CE3-CB 4.15Å; W23-E288 HydrophobicContact CE3-CG 3.94Å; W23-E288 VanDerWaalsContact CH2-N 3.35Å; W23-E288 HydrophobicContact CZ3-CB 4.25Å; W23-E288 HydrophobicContact CZ3-CG 4.44Å; W23-E288 WeakPolarHBondContact CZ3-O 3.19Å; W23-L290 WeakPolarHBondContact CZ3-O 3.44Å
24	A	53.8	Low	67	Low	50 Å²	50	61.4 Å²	61.4	41%	0.413	36%	0.36	S	S	.	.	S	Bend	trans	-73.2	103.8	167.9	0	0	0	0	0	106.7	S26 P129	A24-S26 PolarHBondContact O-N 3.2Å; A24-P129 HydrophobicContact CB-CB 4.32Å; A24-P129 HydrophobicContact CB-CG 3.28Å
25	C	71.6	Confident	69.7	Low	61 Å²	61	58.6 Å²	58.6	41%	0.412	34%	0.34	S	S	.	.			trans	-47.9	97.9	-173.7	-61.2	0	0	0	0	111.5	W23 E288	W23-C25 PolarHBondContact O-N 3.35Å; W23-C25 VanDerWaalsContact O-N 3.11Å; C25-E288 PolarHBondContact SG-OE1 3.2Å
26	S	90.4	Very high	72.4	Confident	69 Å²	69	59.4 Å²	59.4	48%	0.483	34%	0.338	S	S	.	.			trans	-95.5	145.1	172	61	0	0	0	0	108.8	A24 L127	A24-S26 PolarHBondContact O-N 3.2Å; S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.4Å; S26-L127 WeakPolarHBondContact CB-O 3.5Å
27	H	95.1	Very high	75.2	Confident	30 Å²	30	57.7 Å²	57.7	14%	0.139	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.6	178.1	-68.2	-74.2	0	0	0	110.7	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.24Å; H27-D53 IonicContact CE1-OD2 3.77Å; H27-D53 IonicContact CG-OD2 3.53Å; H27-D53 IonicContact ND1-OD1 3.24Å; H27-D53 IonicContact ND1-OD2 3.44Å; H27-D53 PolarHBondContact ND1-OD2 3.26Å; H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.46Å; H27-L127 PolarHBondContact N-O 2.82Å; H27-L127 VanDerWaalsContact N-O 3.13Å; H27-L127 PolarHBondContact O-N 3.42Å; H27-L192 HydrophobicContact CB-CD1 4.43Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.35Å
28	S	97.2	Very high	78	Confident	10 Å²	10	55.7 Å²	55.7	7%	0.07	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.2	-177.8	62.5	0	0	0	0	111.5	R30 V52 D53 C125 D126	S28-R30 PolarHBondContact OG-NH1 2.77Å; S28-V52 CarbonylContact O-C 3.56Å; S28-V52 VanDerWaalsContact O-CA 3.28Å; S28-V52 WeakPolarHBondContact O-CA 3.25Å; S28-D53 PolarHBondContact N-OD1 2.94Å; S28-D53 PolarHBondContact O-N 2.92Å; S28-D53 PolarHBondContact OG-OD1 3.05Å; S28-C125 WeakPolarHBondContact CA-O 3.18Å; S28-D126 WeakPolarHBondContact CB-OD1 3.5Å
29	M	98.5	Very high	80.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.1	167.3	-176.6	171.9	59	0	0	108.3	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.22Å; M29-Y31 HydrophobicContact CG-CE2 4Å; M29-Y31 HydrophobicContact SD-CE2 3.97Å; M29-Y51 WeakPolarHBondContact CA-O 3.47Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; M29-F57 HydrophobicContact CG-CE1 4.47Å; M29-F57 HydrophobicContact SD-CZ 4.43Å; M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; M29-C125 PolarHBondContact N-O 3.37Å; M29-C125 PolarHBondContact O-N 3.47Å; M29-C188 HydrophobicContact CE-CB 4.15Å; M29-C188 WeakPolarHBondContact CE-O 3.34Å; M29-C188 WeakPolarHBondContact CE-SG 3.41Å; M29-W191 HydrophobicContact CE-CB 4.06Å; M29-W191 HydrophobicContact SD-CB 4.42Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.27Å; M29-L192 HydrophobicContact SD-CB 4.49Å; M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.54Å; M29-Y195 VanDerWaalsContact SD-CE2 3.54Å
30	R	98.5	Very high	83.1	Confident	67 Å²	67	55.2 Å²	55.2	25%	0.253	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.1	-176.5	-59.5	-169.7	-178	100.1	5.7	111.3	S28 F32 G50 Y51 D126	S28-R30 PolarHBondContact OG-NH1 2.77Å; R30-F32 HydrophobicContact CB-CD2 4.5Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.47Å; R30-Y51 PolarHBondContact N-O 2.81Å; R30-Y51 PolarHBondContact O-N 3.25Å; R30-D126 IonicContact CZ-OD1 3.52Å; R30-D126 IonicContact NE-OD1 2.84Å; R30-D126 IonicContact NH2-OD1 2.76Å; R30-D126 PolarHBondContact NH2-OD1 2.93Å; R30-D126 IonicContact NH2-OD2 2.87Å; R30-D126 PolarHBondContact NH2-OD2 3.23Å
31	Y	98.8	Very high	85.8	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.1	171.5	-68.9	-91.9	0	0	0	109.4	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.22Å; M29-Y31 HydrophobicContact CG-CE2 4Å; M29-Y31 HydrophobicContact SD-CE2 3.97Å; Y31-Y33 HydrophobicContact CD1-CE1 4.24Å; Y31-Y33 HydrophobicContact CG-CE1 4.46Å; Y31-V49 CarbonylContact C-O 3.57Å; Y31-V49 WeakPolarHBondContact CA-O 3.04Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.79Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.5Å; Y31-V58 HydrophobicContact CE1-CG1 4.04Å; Y31-M122 WeakPolarHBondContact O-CA 3.44Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.48Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 HydrophobicContact CD2-CE1 4.49Å; Y31-Y123 AromaticContact CD2-CE2 3.65Å; Y31-Y123 HydrophobicContact CD2-CE2 3.65Å; Y31-Y123 AromaticContact CD2-CZ 3.67Å; Y31-Y123 HydrophobicContact CE2-CE2 4.38Å; Y31-Y123 HydrophobicContact CG-CE1 4.14Å; Y31-Y123 HydrophobicContact CG-CE2 4.12Å; Y31-Y123 AromaticContact CG-CZ 3.64Å; Y31-Y123 PolarHBondContact N-O 3.34Å; Y31-Y123 PolarHBondContact O-N 3.43Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å
32	F	98.9	Very high	88.4	Confident	83 Å²	83	55.5 Å²	55.5	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.6	177.7	-57.3	-94	0	0	0	109	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.5Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; F32-A48 WeakPolarHBondContact O-CA 3.4Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 2.93Å; F32-V49 PolarHBondContact O-N 2.89Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.14Å; F32-R121 WeakPolarHBondContact CA-O 3.17Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.13Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CZ-CG 4.02Å
33	Y	98.8	Very high	90.8	Very high	8 Å²	8	55.2 Å²	55.2	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.3	177.7	-59	-12.4	0	0	0	109.4	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.24Å; Y31-Y33 HydrophobicContact CG-CE1 4.46Å; Y33-F46 HydrophobicContact CD1-CZ 4.28Å; Y33-F46 HydrophobicContact CD2-CE2 4.21Å; Y33-F46 AromaticContact CD2-CZ 3.97Å; Y33-F46 HydrophobicContact CD2-CZ 3.97Å; Y33-F46 HydrophobicContact CE2-CZ 4.38Å; Y33-F46 HydrophobicContact CG-CE2 4.12Å; Y33-F46 AromaticContact CG-CZ 3.88Å; Y33-F46 HydrophobicContact CG-CZ 3.88Å; Y33-I47 CarbonylContact C-O 3.41Å; Y33-I47 WeakPolarHBondContact CA-O 3.32Å; Y33-A48 HydrophobicContact CD1-CB 3.33Å; Y33-A48 HydrophobicContact CE1-CB 3.45Å; Y33-A48 VanDerWaalsContact CE1-CB 3.45Å; Y33-A48 HydrophobicContact CG-CB 4.26Å; Y33-Y91 HydrophobicContact CE1-CD1 4.26Å; Y33-Y91 AromaticContact CE1-CE1 3.87Å; Y33-Y91 HydrophobicContact CE1-CE1 3.87Å; Y33-Y91 AromaticContact CZ-CE1 3.97Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.31Å; Y33-Q94 HydrophobicContact CD2-CG 3.62Å; Y33-Q94 HydrophobicContact CE2-CB 4.33Å; Y33-Q94 HydrophobicContact CE2-CG 3.66Å; Y33-Q120 CarbonylContact O-C 3.6Å; Y33-Q120 VanDerWaalsContact O-CA 3.28Å; Y33-Q120 WeakPolarHBondContact O-CA 3.34Å; Y33-R121 PolarHBondContact N-O 2.86Å; Y33-R121 PolarHBondContact O-N 3.34Å; Y33-Y123 HydrophobicContact CD2-CE1 4.12Å; Y33-Y123 HydrophobicContact CE1-CE1 4.03Å; Y33-Y123 AromaticContact CE2-CE1 3.53Å; Y33-Y123 HydrophobicContact CE2-CE1 3.53Å; Y33-Y123 AromaticContact CZ-CE1 3.51Å; Y33-Y123 AromaticContact CZ-CZ 3.92Å; Y33-Y123 PolarHBondContact OH-OH 2.96Å
34	T	98.9	Very high	93	Very high	40 Å²	40	52.2 Å²	52.2	25%	0.245	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	122.1	176.5	-57.7	0	0	0	0	109.3	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.95Å; T34-F46 WeakPolarHBondContact O-CA 3.47Å; T34-I47 PolarHBondContact N-O 2.8Å; T34-I47 PolarHBondContact O-N 2.79Å; T34-T118 HydrophobicContact CG2-CG2 3.99Å; T34-L119 WeakPolarHBondContact CA-O 3.37Å; T34-Q120 HydrophobicContact CG2-CG 4.1Å
35	A	98.8	Very high	95.2	Very high	2 Å²	2	54.4 Å²	54.4	2%	0.017	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.3	174	0	0	0	0	0	109.9	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.51Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.19Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; A35-D98 HydrophobicContact CB-CB 3.67Å; A35-L102 HydrophobicContact CB-CD1 3.9Å; A35-T118 WeakPolarHBondContact O-CA 3.35Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 3.48Å; A35-L119 PolarHBondContact O-N 3.42Å
36	V	98.6	Very high	96.5	Very high	52 Å²	52	51.6 Å²	51.6	32%	0.315	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.3	-178.3	-173.1	0	0	0	0	109.6	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 3.95Å; V36-P44 CarbonylContact O-C 3.56Å; V36-P44 WeakPolarHBondContact O-CA 3.41Å; V36-P44 WeakPolarHBondContact O-CB 3.49Å; V36-R45 PolarHBondContact N-O 2.87Å; V36-R45 PolarHBondContact O-N 3.19Å; V36-T118 HydrophobicContact CG2-CG2 4.21Å
37	S	98	Very high	96.8	Very high	17 Å²	17	50.7 Å²	50.7	12%	0.119	27%	0.273	C	S	.	.			trans	-71.4	140.8	173.6	54.8	0	0	0	0	111.2	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.24Å; S37-S116 PolarHBondContact O-OG 3.18Å; S37-H117 PolarHBondContact N-O 3.07Å; S37-H117 WeakPolarHBondContact OG-CA 3.44Å; S37-H117 PolarHBondContact OG-N 3.2Å; S37-H117 PolarHBondContact OG-O 3.41Å
38	R	96.1	Very high	97	Very high	75 Å²	75	49.3 Å²	49.3	28%	0.283	27%	0.267	S	S	.	.			trans	-135.4	75.3	-176.8	53.9	175.1	175.8	-161	-10.1	111.3	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.81Å; R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 WeakPolarHBondContact CD-O 3.48Å; R38-R41 HydrophobicContact CG-CB 4.15Å; R38-R41 PolarHBondContact NE-O 2.87Å; R38-R41 VanDerWaalsContact NE-O 3.15Å; R38-R41 PolarHBondContact O-N 2.99Å; R38-E43 PolarHBondContact NE-O 3.17Å; R38-E43 PolarHBondContact NH2-O 3.22Å; R38-E43 VanDerWaalsContact NH2-O 3.08Å; R38-D63 IonicContact CZ-OD1 3.6Å; R38-D63 IonicContact CZ-OD2 3.94Å; R38-D63 IonicContact NH1-OD1 3.31Å; R38-D63 PolarHBondContact NH1-OD1 3.37Å; R38-D63 IonicContact NH1-OD2 2.9Å; R38-D63 PolarHBondContact NH1-OD2 3.08Å; R38-D63 IonicContact NH2-OD1 3.21Å; R38-D63 PolarHBondContact NH2-OD1 2.98Å; R38-D63 IonicContact NH2-OD2 3.2Å
39	P	92.7	Very high	97.1	Very high	56 Å²	56	50.1 Å²	50.1	36%	0.364	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	130.8	-178.3	-26.5	34.7	0	0	0	112.4	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.01Å; P39-E113 VanDerWaalsContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CB-O 3.37Å; P39-E113 WeakPolarHBondContact CG-O 3.29Å; P39-G115 WeakPolarHBondContact CG-O 3.46Å
40	G	91.6	Very high	97.1	Very high	89 Å²	89	50.1 Å²	50.1	92%	0.918	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	0.9	-177.9	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 2.81Å
41	R	93.4	Very high	97.1	Very high	208 Å²	208	50.3 Å²	50.3	79%	0.785	27%	0.273	S	S	*	.	S	Bend	trans	-124.1	24.6	-179.9	-58.8	-174.4	-179.7	-175.3	0.3	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 WeakPolarHBondContact CD-O 3.48Å; R38-R41 HydrophobicContact CG-CB 4.15Å; R38-R41 PolarHBondContact NE-O 2.87Å; R38-R41 VanDerWaalsContact NE-O 3.15Å; R38-R41 PolarHBondContact O-N 2.99Å; P39-R41 PolarHBondContact O-N 3.01Å
42	G	91.9	Very high	97.1	Very high	58 Å²	58	50.1 Å²	50.1	60%	0.598	27%	0.272	S	S	*	.	S	Bend	trans	94.9	-160.3	178.6	0	0	0	0	0	114
43	E	94.8	Very high	96.9	Very high	90 Å²	90	47.4 Å²	47.4	42%	0.421	26%	0.261	S	S	.	.	S	Bend	trans	-69.9	155.3	-177.9	-64.4	-58.2	163	0	0	112.6	R38 R45 R99	R38-E43 PolarHBondContact NE-O 3.17Å; R38-E43 PolarHBondContact NH2-O 3.22Å; R38-E43 VanDerWaalsContact NH2-O 3.08Å; E43-R45 PolarHBondContact O-N 2.86Å; E43-R99 IonicContact OE1-CZ 3.69Å; E43-R99 IonicContact OE1-NE 3.42Å; E43-R99 IonicContact OE1-NH1 2.71Å; E43-R99 PolarHBondContact OE1-NH1 2.68Å; E43-R99 IonicContact OE1-NH2 3.79Å; E43-R99 PolarHBondContact OE1-NH2 3.08Å; E43-R99 WeakPolarHBondContact OE2-CD 3.45Å; E43-R99 IonicContact OE2-CZ 3.75Å; E43-R99 IonicContact OE2-NE 3.31Å; E43-R99 PolarHBondContact OE2-NE 3.02Å; E43-R99 IonicContact OE2-NH1 2.8Å; E43-R99 PolarHBondContact OE2-NH1 3.08Å; E43-R99 IonicContact OE2-NH2 2.76Å; E43-R99 PolarHBondContact OE2-NH2 2.63Å; E43-R99 VanDerWaalsContact OE2-NH2 3.1Å
44	P	97.4	Very high	96.8	Very high	27 Å²	27	50 Å²	50	18%	0.175	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-52.4	132.7	172.4	-25.2	34.6	0	0	0	111.7	V36 R99 L102	V36-P44 CarbonylContact O-C 3.56Å; V36-P44 WeakPolarHBondContact O-CA 3.41Å; V36-P44 WeakPolarHBondContact O-CB 3.49Å; P44-R99 HydrophobicContact CG-CB 4.35Å; P44-R99 HydrophobicContact CG-CG 4.14Å; P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.88Å
45	R	98.4	Very high	96.7	Very high	97 Å²	97	49.1 Å²	49.1	37%	0.366	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.4	173	-176.9	-179.2	-177.6	-172.2	-1	108.5	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.51Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.19Å; V36-R45 PolarHBondContact N-O 2.87Å; V36-R45 PolarHBondContact O-N 3.19Å; E43-R45 PolarHBondContact O-N 2.86Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; R45-D61 IonicContact CZ-OD1 3.64Å; R45-D61 IonicContact CZ-OD2 3.93Å; R45-D61 IonicContact NE-OD1 3.21Å; R45-D61 PolarHBondContact NE-OD1 2.85Å; R45-D61 VanDerWaalsContact NE-OD1 3.14Å; R45-D61 IonicContact NE-OD2 3.62Å; R45-D61 IonicContact NH2-OD1 3.22Å; R45-D61 IonicContact NH2-OD2 3.87Å; R45-D61 PolarHBondContact NH2-OD2 3.06Å; R45-S62 WeakPolarHBondContact CA-OG 3.35Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 HydrophobicContact CG-CB 4.41Å; R45-D63 IonicContact NE-OD2 2.74Å
46	F	98.8	Very high	96.6	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.009	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.7	177.2	175.3	-92.4	0	0	0	109.8	Y33 T34 A35 A48 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.28Å; Y33-F46 HydrophobicContact CD2-CE2 4.21Å; Y33-F46 AromaticContact CD2-CZ 3.97Å; Y33-F46 HydrophobicContact CD2-CZ 3.97Å; Y33-F46 HydrophobicContact CE2-CZ 4.38Å; Y33-F46 HydrophobicContact CG-CE2 4.12Å; Y33-F46 AromaticContact CG-CZ 3.88Å; Y33-F46 HydrophobicContact CG-CZ 3.88Å; T34-F46 WeakPolarHBondContact O-CA 3.47Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; F46-A48 HydrophobicContact CE1-CB 3.75Å; F46-A48 HydrophobicContact CZ-CB 3.95Å; F46-F60 AromaticContact CD1-CD1 3.73Å; F46-F60 HydrophobicContact CD1-CD1 3.73Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CE1 4.27Å; F46-S62 PolarHBondContact N-OG 3.29Å; F46-S62 PolarHBondContact O-N 2.83Å; F46-S62 PolarHBondContact O-OG 3.47Å; F46-Y91 HydrophobicContact CE1-CD1 4.39Å; F46-Q94 HydrophobicContact CE2-CB 4.28Å; F46-Q94 HydrophobicContact CE2-CG 3.77Å; F46-Q94 HydrophobicContact CZ-CB 3.97Å; F46-Q94 HydrophobicContact CZ-CG 3.8Å; F46-A95 HydrophobicContact CB-CB 3.69Å; F46-A95 HydrophobicContact CD1-CB 3.82Å; F46-A95 HydrophobicContact CD2-CB 4.17Å; F46-A95 HydrophobicContact CG-CB 3.62Å; F46-D98 VanDerWaalsContact CE2-OD2 3.24Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.33Å
47	I	98.8	Very high	96.6	Very high	50 Å²	50	49 Å²	49	26%	0.256	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.4	175.8	-57.2	172.9	0	0	0	107.7	Y33 T34 R45 F60	Y33-I47 CarbonylContact C-O 3.41Å; Y33-I47 WeakPolarHBondContact CA-O 3.32Å; T34-I47 PolarHBondContact N-O 2.8Å; T34-I47 PolarHBondContact O-N 2.79Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; I47-F60 WeakPolarHBondContact CA-O 3.31Å
48	A	98.8	Very high	96.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.9	171.3	0	0	0	0	0	110.1	F32 Y33 F46 Q59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.4Å; Y33-A48 HydrophobicContact CD1-CB 3.33Å; Y33-A48 HydrophobicContact CE1-CB 3.45Å; Y33-A48 VanDerWaalsContact CE1-CB 3.45Å; Y33-A48 HydrophobicContact CG-CB 4.26Å; F46-A48 HydrophobicContact CE1-CB 3.75Å; F46-A48 HydrophobicContact CZ-CB 3.95Å; A48-Q59 CarbonylContact O-C 3.58Å; A48-Q59 VanDerWaalsContact O-CA 3.31Å; A48-Q59 WeakPolarHBondContact O-CA 3.36Å; A48-F60 HydrophobicContact CB-CB 4.26Å; A48-F60 PolarHBondContact N-O 2.94Å; A48-F60 PolarHBondContact O-N 2.95Å; A48-Y91 HydrophobicContact CB-CD1 3.64Å; A48-Y91 HydrophobicContact CB-CE1 3.64Å; A48-Y91 HydrophobicContact CB-CG 4.49Å
49	V	98.8	Very high	96.7	Very high	27 Å²	27	47.1 Å²	47.1	16%	0.164	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.5	171.3	-63.1	0	0	0	0	109.6	Y31 F32 Y51 V58 Q59	Y31-V49 CarbonylContact C-O 3.57Å; Y31-V49 WeakPolarHBondContact CA-O 3.04Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 2.93Å; F32-V49 PolarHBondContact O-N 2.89Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.4Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; V49-V58 WeakPolarHBondContact CA-O 2.94Å; V49-Q59 HydrophobicContact CG1-CG 4.15Å
50	G	98.6	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.9	176.2	0	0	0	0	0	111	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.47Å; G50-Q56 WeakPolarHBondContact O-CA 3.2Å; G50-F57 WeakPolarHBondContact O-CD1 3.11Å; G50-F57 PolarHBondContact O-N 3.33Å; G50-V58 PolarHBondContact N-O 3.43Å; G50-V58 PolarHBondContact O-N 3.24Å
51	Y	98.6	Very high	97.3	Very high	72 Å²	72	41.9 Å²	41.9	28%	0.282	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.8	-179.1	-75	-102.8	0	0	0	110.3	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.47Å; R30-Y51 PolarHBondContact N-O 2.81Å; R30-Y51 PolarHBondContact O-N 3.25Å; F32-Y51 HydrophobicContact CD2-CD2 4.11Å; F32-Y51 HydrophobicContact CE2-CD2 4.14Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.4Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; Y51-T55 WeakPolarHBondContact CA-O 3.46Å; Y51-Q56 HydrophobicContact CD1-CB 3.99Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.37Å; Y51-Q56 HydrophobicContact CE1-CB 3.5Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.11Å; Y51-Q56 HydrophobicContact CE2-CG 3.87Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å
52	V	98.1	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.3	156.2	177.3	0	0	0	0	106	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.56Å; S28-V52 VanDerWaalsContact O-CA 3.28Å; S28-V52 WeakPolarHBondContact O-CA 3.25Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; V52-D54 PolarHBondContact O-N 3.02Å; V52-T55 PolarHBondContact N-O 3.21Å; V52-T55 WeakPolarHBondContact O-CB 3.42Å; V52-T55 PolarHBondContact O-N 3.44Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.07Å; V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; 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 4.27Å; V52-Y195 HydrophobicContact CG2-CD2 3.93Å; V52-Y195 HydrophobicContact CG2-CG 4.41Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.12Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.48Å
53	D	95.6	Very high	97.8	Very high	25 Å²	25	34.2 Å²	34.2	13%	0.134	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	-123.2	-166.4	-53.1	-39.4	0	0	0	110.4	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.24Å; H27-D53 IonicContact CE1-OD2 3.77Å; H27-D53 IonicContact CG-OD2 3.53Å; H27-D53 IonicContact ND1-OD1 3.24Å; H27-D53 IonicContact ND1-OD2 3.44Å; H27-D53 PolarHBondContact ND1-OD2 3.26Å; S28-D53 PolarHBondContact N-OD1 2.94Å; S28-D53 PolarHBondContact O-N 2.92Å; S28-D53 PolarHBondContact OG-OD1 3.05Å
54	D	95.6	Very high	97.9	Very high	62 Å²	62	31.6 Å²	31.6	33%	0.332	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	8.9	178.8	-58.3	-54.7	0	0	0	113.4	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.02Å; D54-Y233 HydrophobicContact CB-CE2 4.12Å; D54-P234 VanDerWaalsContact OD2-CB 3.29Å; D54-P234 WeakPolarHBondContact OD2-CB 3.42Å; D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.4Å; D54-A235 PolarHBondContact OD2-N 3.37Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.66Å
55	T	96.6	Very high	97.9	Very high	22 Å²	22	35.9 Å²	35.9	14%	0.135	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	112	-177.5	-60.6	0	0	0	0	111.5	Y51 V52 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.46Å; V52-T55 PolarHBondContact N-O 3.21Å; V52-T55 WeakPolarHBondContact O-CB 3.42Å; V52-T55 PolarHBondContact O-N 3.44Å; T55-F57 PolarHBondContact O-N 3.41Å; T55-A73 HydrophobicContact CG2-CB 4.46Å; T55-L203 HydrophobicContact CG2-CD2 4.09Å; T55-Y233 PolarHBondContact OG1-OH 3.35Å; T55-Y233 VanDerWaalsContact OG1-OH 3.07Å
56	Q	97.5	Very high	97.8	Very high	53 Å²	53	35.1 Å²	35.1	25%	0.248	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	131.5	172.4	-165.5	-177.9	-5.2	0	0	110.3	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.2Å; Y51-Q56 HydrophobicContact CD1-CB 3.99Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.37Å; Y51-Q56 HydrophobicContact CE1-CB 3.5Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.11Å; Y51-Q56 HydrophobicContact CE2-CG 3.87Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Q56-V58 PolarHBondContact NE2-O 3.29Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.4Å; Q56-R72 CarbonylContact O-C 3.56Å
57	F	98.1	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	-20.2	179.7	75.9	-87.8	0	0	0	114.3	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.47Å; M29-F57 HydrophobicContact SD-CZ 4.43Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.79Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.5Å; G50-F57 WeakPolarHBondContact O-CD1 3.11Å; G50-F57 PolarHBondContact O-N 3.33Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.07Å; T55-F57 PolarHBondContact O-N 3.41Å; F57-R72 PolarHBondContact O-N 2.79Å; F57-A73 HydrophobicContact CB-CB 4.06Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.94Å; F57-W75 AromaticContact CD1-CH2 3.96Å; F57-W75 HydrophobicContact CD1-CH2 3.96Å; F57-W75 AromaticContact CD2-CH2 3.96Å; F57-W75 HydrophobicContact CD2-CH2 3.96Å; 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 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.4Å; F57-V76 HydrophobicContact CD2-CG1 4.43Å; F57-V76 HydrophobicContact CD2-CG2 4.1Å; F57-V76 VanDerWaalsContact O-CG1 3.25Å; F57-V76 WeakPolarHBondContact O-CG1 3.43Å; F57-Y195 AromaticContact CE2-CE2 3.82Å; F57-Y195 HydrophobicContact CE2-CE2 3.82Å; F57-Y195 AromaticContact CE2-CZ 3.92Å; F57-Y195 HydrophobicContact CZ-CD2 4.42Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å
58	V	98.3	Very high	97.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.9	179.8	66	0	0	0	0	111.9	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4.04Å; V49-V58 WeakPolarHBondContact CA-O 2.94Å; G50-V58 PolarHBondContact N-O 3.43Å; G50-V58 PolarHBondContact O-N 3.24Å; Q56-V58 PolarHBondContact NE2-O 3.29Å; V58-E70 WeakPolarHBondContact CA-O 3.48Å; V58-W84 HydrophobicContact CG2-CZ3 4Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.49Å; V58-Y91 HydrophobicContact CG2-CE2 4.23Å
59	Q	98.3	Very high	97.6	Very high	51 Å²	51	41.7 Å²	41.7	24%	0.238	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	149	170.4	-174.7	170.6	19	0	0	111.3	A48 V49 E70 R72	A48-Q59 CarbonylContact O-C 3.58Å; A48-Q59 VanDerWaalsContact O-CA 3.31Å; A48-Q59 WeakPolarHBondContact O-CA 3.36Å; V49-Q59 HydrophobicContact CG1-CG 4.15Å; Q59-E70 PolarHBondContact N-O 3.01Å; Q59-E70 PolarHBondContact O-N 2.78Å; Q59-R72 HydrophobicContact CB-CG 3.92Å
60	F	98.8	Very high	97.5	Very high	5 Å²	5	43.2 Å²	43.2	2%	0.022	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.5	166	175.7	-81.9	0	0	0	109.2	F46 I47 A48 P67 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.73Å; F46-F60 HydrophobicContact CD1-CD1 3.73Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CE1 4.27Å; I47-F60 WeakPolarHBondContact CA-O 3.31Å; A48-F60 HydrophobicContact CB-CB 4.26Å; A48-F60 PolarHBondContact N-O 2.94Å; A48-F60 PolarHBondContact O-N 2.95Å; F60-P67 HydrophobicContact CE2-CB 3.85Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; F60-Y91 HydrophobicContact CB-CD1 4.38Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.8Å; F60-Y91 HydrophobicContact CD1-CG 4.37Å; F60-Y91 AromaticContact CD2-CD2 3.71Å; F60-Y91 HydrophobicContact CD2-CD2 3.71Å; F60-Y91 AromaticContact CD2-CG 3.98Å; F60-Y91 HydrophobicContact CD2-CG 3.98Å; F60-Y91 AromaticContact CG-CD2 3.8Å; F60-Y91 HydrophobicContact CG-CD2 3.8Å; F60-Y91 AromaticContact CG-CG 3.8Å; F60-Y91 HydrophobicContact CG-CG 3.8Å; F60-K92 HydrophobicContact CE2-CG 4.29Å; F60-K92 HydrophobicContact CZ-CG 4.07Å
61	D	98.6	Very high	97.5	Very high	30 Å²	30	45.3 Å²	45.3	16%	0.16	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	124	173.3	-170.3	-13.5	0	0	0	109.7	R45 D63 A64	R45-D61 IonicContact CZ-OD1 3.64Å; R45-D61 IonicContact CZ-OD2 3.93Å; R45-D61 IonicContact NE-OD1 3.21Å; R45-D61 PolarHBondContact NE-OD1 2.85Å; R45-D61 VanDerWaalsContact NE-OD1 3.14Å; R45-D61 IonicContact NE-OD2 3.62Å; R45-D61 IonicContact NH2-OD1 3.22Å; R45-D61 IonicContact NH2-OD2 3.87Å; R45-D61 PolarHBondContact NH2-OD2 3.06Å; D61-D63 PolarHBondContact O-N 2.03Å; D61-D63 PolarHBondContact OD1-N 2.82Å; D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.42Å; D61-A64 PolarHBondContact O-N 2.91Å
62	S	98.3	Very high	97.4	Very high	35 Å²	35	47 Å²	47	25%	0.245	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.8	178.5	67.4	0	0	0	0	113.5	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.35Å; F46-S62 PolarHBondContact N-OG 3.29Å; F46-S62 PolarHBondContact O-N 2.83Å; F46-S62 PolarHBondContact O-OG 3.47Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.36Å
63	D	97.5	Very high	97.3	Very high	70 Å²	70	47.2 Å²	47.2	37%	0.374	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.2	-179.8	-77.7	4.6	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.6Å; R38-D63 IonicContact CZ-OD2 3.94Å; R38-D63 IonicContact NH1-OD1 3.31Å; R38-D63 PolarHBondContact NH1-OD1 3.37Å; R38-D63 IonicContact NH1-OD2 2.9Å; R38-D63 PolarHBondContact NH1-OD2 3.08Å; R38-D63 IonicContact NH2-OD1 3.21Å; R38-D63 PolarHBondContact NH2-OD1 2.98Å; R38-D63 IonicContact NH2-OD2 3.2Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 HydrophobicContact CG-CB 4.41Å; R45-D63 IonicContact NE-OD2 2.74Å; D61-D63 PolarHBondContact O-N 2.03Å; D61-D63 PolarHBondContact OD1-N 2.82Å
64	A	97.1	Very high	97.3	Very high	36 Å²	36	51 Å²	51	30%	0.298	29%	0.291	S	S	.	.	S	Bend	trans	-61.5	149	173.2	0	0	0	0	0	111	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.42Å; D61-A64 PolarHBondContact O-N 2.91Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 2.83Å; A64-S66 VanDerWaalsContact O-N 3.16Å; A64-P67 WeakPolarHBondContact O-CD 3.35Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.33Å
65	A	96.6	Very high	97.4	Very high	117 Å²	117	48.7 Å²	48.7	97%	0.967	28%	0.278	S	S	*	.	S	Bend	trans	-58.5	-32.1	179.8	0	0	0	0	0	113
66	S	96.1	Very high	97.4	Very high	81 Å²	81	47.7 Å²	47.7	57%	0.566	27%	0.271	S	S	*	.	S	Bend	trans	-133.2	89.1	171.4	-173.4	0	0	0	0	109.2	A64 R68	A64-S66 PolarHBondContact O-N 2.83Å; A64-S66 VanDerWaalsContact O-N 3.16Å; S66-R68 PolarHBondContact O-N 2.83Å
67	P	97	Very high	97.3	Very high	35 Å²	35	51 Å²	51	23%	0.227	29%	0.287	C	S	.	.			trans	-63.9	111.5	-175.2	-24.4	35.5	0	0	0	111.8	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.85Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; S62-P67 WeakPolarHBondContact O-CG 3.36Å; A64-P67 WeakPolarHBondContact O-CD 3.35Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.33Å; P67-K92 WeakPolarHBondContact O-CE 3.36Å; P67-K92 PolarHBondContact O-NZ 3.11Å
68	R	97.8	Very high	97.1	Very high	149 Å²	149	57 Å²	57	56%	0.562	32%	0.315	S	S	*	.			trans	-146	157.9	177.7	64.4	-175.2	175.4	176.3	-0.1	110.5	S66 E70 T88	S66-R68 PolarHBondContact O-N 2.83Å; R68-E70 HydrophobicContact CG-CG 4.31Å; R68-E70 PolarHBondContact O-N 2.85Å; R68-T88 HydrophobicContact CB-CG2 4.22Å
69	G	97.3	Very high	97	Very high	5 Å²	5	57.5 Å²	57.5	5%	0.052	32%	0.317	C	S	.	.			trans	-65.5	128.2	169.1	0	0	0	0	0	109.4	T88	G69-T88 PolarHBondContact N-OG1 3Å
70	E	97.6	Very high	96.9	Very high	59 Å²	59	56.9 Å²	56.9	28%	0.276	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.8	-179.6	-61.3	-170.9	157.7	0	0	110.3	V58 Q59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.48Å; Q59-E70 PolarHBondContact N-O 3.01Å; Q59-E70 PolarHBondContact O-N 2.78Å; R68-E70 HydrophobicContact CG-CG 4.31Å; R68-E70 PolarHBondContact O-N 2.85Å; E70-R72 IonicContact OE2-CZ 2.72Å; E70-R72 IonicContact OE2-NH1 3.49Å; E70-R72 PolarHBondContact OE2-NH1 3.27Å; E70-R72 IonicContact OE2-NH2 3.6Å; E70-R72 PolarHBondContact OE2-NH2 2.97Å
71	P	97.9	Very high	96.8	Very high	44 Å²	44	61.3 Å²	61.3	29%	0.286	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	144.3	171.9	28.5	-33.6	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.81Å; P71-E77 HydrophobicContact CB-CG 3.74Å; P71-E77 HydrophobicContact CG-CG 3.97Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.28Å; P71-W84 HydrophobicContact CG-CZ2 4.25Å
72	R	97.3	Very high	96.7	Very high	108 Å²	108	67.6 Å²	67.6	41%	0.408	38%	0.382	S	S	.	.			trans	-126	0.2	173.2	-64.3	-64.6	-176.7	-120.7	0.8	113.1	Q56 F57 Q59 E70	Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.4Å; Q56-R72 CarbonylContact O-C 3.56Å; F57-R72 PolarHBondContact O-N 2.79Å; Q59-R72 HydrophobicContact CB-CG 3.92Å; E70-R72 IonicContact OE2-CZ 2.72Å; E70-R72 IonicContact OE2-NH1 3.49Å; E70-R72 PolarHBondContact OE2-NH1 3.27Å; E70-R72 IonicContact OE2-NH2 3.6Å; E70-R72 PolarHBondContact OE2-NH2 2.97Å
73	A	96.1	Very high	96.7	Very high	5 Å²	5	66.4 Å²	66.4	4%	0.041	37%	0.372	C	S	.	.	S	Bend	trans	-138.3	142.3	173.4	0	0	0	0	0	111.2	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.46Å; F57-A73 HydrophobicContact CB-CB 4.06Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 2.92Å; A73-V76 VanDerWaalsContact O-CG1 3.23Å; A73-V76 WeakPolarHBondContact O-CG1 3.39Å; A73-V76 PolarHBondContact O-N 3.19Å
74	P	96.1	Very high	96.7	Very high	103 Å²	103	64.8 Å²	64.8	67%	0.669	36%	0.361	S	S	*	.	H	α-helix	trans	-58.5	-35.1	-177.4	-27	34.9	0	0	0	114.1	V76 E77	P74-V76 PolarHBondContact O-N 2.64Å; P74-E77 WeakPolarHBondContact O-CB 3.34Å; P74-E77 PolarHBondContact O-N 3.06Å; P74-E77 VanDerWaalsContact O-N 3.17Å
75	W	95.8	Very high	96.8	Very high	15 Å²	15	68.2 Å²	68.2	6%	0.057	37%	0.374	C	S	.	.	H	α-helix	trans	-71.8	-12.9	-176.2	53.6	-106.2	0	0	0	114.2	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.94Å; F57-W75 AromaticContact CD1-CH2 3.96Å; F57-W75 HydrophobicContact CD1-CH2 3.96Å; F57-W75 AromaticContact CD2-CH2 3.96Å; F57-W75 HydrophobicContact CD2-CH2 3.96Å; 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 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 2.92Å; W75-Q78 WeakPolarHBondContact O-CG 3.46Å; W75-Y195 HydrophobicContact CE3-CD1 4.27Å; W75-Y195 HydrophobicContact CH2-CG 4.14Å; W75-Y195 AromaticContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD2 4.35Å; W75-Y195 HydrophobicContact CZ3-CE1 4.31Å; W75-Y195 AromaticContact CZ3-CG 3.6Å; W75-Y195 HydrophobicContact CZ3-CG 3.6Å; W75-N198 HydrophobicContact CB-CB 4.45Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.37Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.4Å
76	V	97.1	Very high	96.8	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-96	-15.3	172.6	73.9	0	0	0	0	112.3	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.4Å; F57-V76 HydrophobicContact CD2-CG1 4.43Å; F57-V76 HydrophobicContact CD2-CG2 4.1Å; F57-V76 VanDerWaalsContact O-CG1 3.25Å; F57-V76 WeakPolarHBondContact O-CG1 3.43Å; P71-V76 HydrophobicContact CB-CG1 3.81Å; A73-V76 VanDerWaalsContact O-CG1 3.23Å; A73-V76 WeakPolarHBondContact O-CG1 3.39Å; A73-V76 PolarHBondContact O-N 3.19Å; P74-V76 PolarHBondContact O-N 2.64Å; V76-Q78 PolarHBondContact O-N 3.01Å; V76-E79 HydrophobicContact CG2-CG 3.83Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.41Å; V76-E79 WeakPolarHBondContact O-CG 3.39Å; V76-E79 PolarHBondContact O-N 2.98Å; V76-Y83 HydrophobicContact CG2-CE1 4.14Å; V76-W84 HydrophobicContact CG1-CH2 4.01Å; V76-W84 HydrophobicContact CG1-CZ2 4.22Å; V76-W84 HydrophobicContact CG2-CH2 4.03Å; V76-W84 HydrophobicContact CG2-CZ2 4.05Å; V76-W84 WeakPolarHBondContact O-CZ2 3.48Å; V76-Y195 HydrophobicContact CG2-CE1 4.3Å
77	E	95.4	Very high	96.9	Very high	123 Å²	123	64 Å²	64	58%	0.575	32%	0.321	S	S	*	.	H	α-helix	trans	-63.2	-25.7	179.4	-66.2	179.4	-174.9	0	0	112.9	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.74Å; P71-E77 HydrophobicContact CG-CG 3.97Å; P74-E77 WeakPolarHBondContact O-CB 3.34Å; P74-E77 PolarHBondContact O-N 3.06Å; P74-E77 VanDerWaalsContact O-N 3.17Å; E77-E79 PolarHBondContact O-N 3.05Å
78	Q	94.4	Very high	96.9	Very high	126 Å²	126	62.9 Å²	62.9	59%	0.589	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.9	175.1	66.8	179.8	18.5	0	0	114	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.46Å; V76-Q78 PolarHBondContact O-N 3.01Å; Q78-N198 VanDerWaalsContact NE2-CB 3.29Å; Q78-N198 PolarHBondContact NE2-ND2 2.84Å; Q78-N198 PolarHBondContact NE2-OD1 2.81Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.1Å
79	E	96.7	Very high	96.9	Very high	11 Å²	11	60.8 Å²	60.8	5%	0.051	31%	0.31	C	S	.	.	S	Bend	trans	-66.6	134.8	174.3	-65.6	-61.7	159.3	0	0	110.7	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.83Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.41Å; V76-E79 WeakPolarHBondContact O-CG 3.39Å; V76-E79 PolarHBondContact O-N 2.98Å; E77-E79 PolarHBondContact O-N 3.05Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CD2 4.48Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.07Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 PolarHBondContact O-NE1 3.29Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; E79-R194 IonicContact OE1-CZ 3.61Å; E79-R194 IonicContact OE1-NE 3.5Å; E79-R194 PolarHBondContact OE1-NE 3.27Å; E79-R194 IonicContact OE1-NH2 2.67Å; E79-R194 PolarHBondContact OE1-NH2 3.3Å; E79-R194 IonicContact OE2-CZ 3.68Å; E79-R194 IonicContact OE2-NE 3.9Å; E79-R194 IonicContact OE2-NH2 3.79Å; E79-R194 PolarHBondContact OE2-NH2 3.48Å; E79-N198 PolarHBondContact OE1-ND2 2.85Å
80	G	95.6	Very high	97	Very high	37 Å²	37	63.5 Å²	63.5	38%	0.381	32%	0.321	S	S	.	.			trans	-69.9	169.5	-174.6	0	0	0	0	0	114.3	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.11Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 2.88Å; G80-W84 PolarHBondContact O-N 3.26Å
81	P	96.8	Very high	97	Very high	99 Å²	99	60.7 Å²	60.7	64%	0.643	31%	0.308	S	S	*	.	H	α-helix	trans	-57.3	-35.8	-178.2	22.7	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.25Å; P81-Y83 PolarHBondContact O-N 2.93Å; P81-W84 PolarHBondContact O-N 2.9Å; P81-W84 VanDerWaalsContact O-N 3.14Å; P81-D85 WeakPolarHBondContact O-CB 3.46Å; P81-D85 PolarHBondContact O-N 2.83Å
82	E	97.3	Very high	97	Very high	162 Å²	162	62.6 Å²	62.6	76%	0.757	31%	0.311	S	S	*	.	H	α-helix	trans	-59.6	-35.1	177.6	-62.7	-179	-179.5	0	0	113.1	G80 R86	G80-E82 PolarHBondContact O-N 3.11Å; E82-R86 WeakPolarHBondContact O-CB 3.39Å; E82-R86 PolarHBondContact O-N 2.96Å
83	Y	97.4	Very high	97.1	Very high	9 Å²	9	65.2 Å²	65.2	4%	0.035	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-52	174.8	168.7	-91.9	0	0	0	110.1	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.14Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CD2 4.48Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.07Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 2.88Å; P81-Y83 VanDerWaalsContact C-N 3.25Å; P81-Y83 PolarHBondContact O-N 2.93Å; Y83-D85 PolarHBondContact O-N 3.45Å; Y83-R86 PolarHBondContact O-N 2.75Å; Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.74Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.41Å; Y83-E87 PolarHBondContact O-N 2.7Å; Y83-W191 AromaticContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CH2 3.47Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CZ2 4.21Å; Y83-W191 AromaticContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CE2-CE3 4.16Å; Y83-W191 AromaticContact CE2-CH2 3.82Å; Y83-W191 HydrophobicContact CE2-CH2 3.82Å; Y83-W191 HydrophobicContact CE2-CZ2 4.47Å; Y83-W191 AromaticContact CE2-CZ3 3.63Å; Y83-W191 HydrophobicContact CE2-CZ3 3.63Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.25Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.43Å; Y83-Y195 PolarHBondContact OH-OH 3.21Å
84	W	97.9	Very high	97.2	Very high	37 Å²	37	66.4 Å²	66.4	14%	0.14	33%	0.326	C	S	.	.	H	α-helix	trans	-64.5	-38.4	-177.8	-66.7	111.5	0	0	0	112.9	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.28Å; P71-W84 HydrophobicContact CG-CZ2 4.25Å; V76-W84 HydrophobicContact CG1-CH2 4.01Å; V76-W84 HydrophobicContact CG1-CZ2 4.22Å; V76-W84 HydrophobicContact CG2-CH2 4.03Å; V76-W84 HydrophobicContact CG2-CZ2 4.05Å; V76-W84 WeakPolarHBondContact O-CZ2 3.48Å; E79-W84 PolarHBondContact O-NE1 3.29Å; E79-W84 VanDerWaalsContact O-NE1 3.08Å; G80-W84 PolarHBondContact O-N 3.26Å; P81-W84 PolarHBondContact O-N 2.9Å; P81-W84 VanDerWaalsContact O-N 3.14Å; W84-T88 WeakPolarHBondContact O-CB 3.17Å; W84-T88 PolarHBondContact O-N 3.09Å; W84-T88 PolarHBondContact O-OG1 3.06Å
85	D	97.9	Very high	97.3	Very high	107 Å²	107	62.3 Å²	62.3	57%	0.572	30%	0.301	S	S	*	.	H	α-helix	trans	-63.7	-47.4	174.1	-75.2	-22.8	0	0	0	110.7	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.46Å; P81-D85 PolarHBondContact O-N 2.83Å; Y83-D85 PolarHBondContact O-N 3.45Å; D85-T88 PolarHBondContact O-N 3.41Å; D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.28Å; D85-Q89 PolarHBondContact O-N 3.49Å
86	R	97.3	Very high	97.4	Very high	103 Å²	103	66.9 Å²	66.9	39%	0.389	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-46.4	178.8	-175.4	-178.3	65.7	-144.2	-5.7	112.2	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.39Å; E82-R86 PolarHBondContact O-N 2.96Å; Y83-R86 PolarHBondContact O-N 2.75Å; R86-Q89 PolarHBondContact O-N 2.83Å; R86-K90 WeakPolarHBondContact O-CG 2.74Å; R86-K90 PolarHBondContact O-N 3.37Å
87	E	97.5	Very high	97.4	Very high	7 Å²	7	70.4 Å²	70.4	3%	0.033	34%	0.344	C	S	.	.	H	α-helix	trans	-65.9	-42.1	178.5	-64.9	-41.9	117.6	0	0	111.1	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.74Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.41Å; Y83-E87 PolarHBondContact O-N 2.7Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 2.86Å; E87-K90 WeakPolarHBondContact O-CB 3.46Å; E87-K90 PolarHBondContact O-N 3.02Å; E87-K90 VanDerWaalsContact O-N 3.11Å; E87-K90 IonicContact OE1-NZ 3.4Å; E87-K90 PolarHBondContact OE1-NZ 3.37Å; E87-K90 WeakPolarHBondContact OE2-CD 3.33Å; E87-K90 IonicContact OE2-NZ 2.72Å; E87-K90 PolarHBondContact OE2-NZ 2.94Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.42Å; E87-Y91 PolarHBondContact O-N 3.2Å
88	T	98.4	Very high	97.6	Very high	11 Å²	11	64.6 Å²	64.6	7%	0.067	32%	0.317	C	S	.	.	H	α-helix	trans	-56.7	-45.3	173.7	-64.4	0	0	0	0	111.9	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.22Å; G69-T88 PolarHBondContact N-OG1 3Å; W84-T88 WeakPolarHBondContact O-CB 3.17Å; W84-T88 PolarHBondContact O-N 3.09Å; W84-T88 PolarHBondContact O-OG1 3.06Å; D85-T88 PolarHBondContact O-N 3.41Å; T88-Y91 PolarHBondContact O-N 3.35Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CG 3.49Å; T88-K92 PolarHBondContact O-N 3.38Å
89	Q	98.3	Very high	97.8	Very high	106 Å²	106	62.1 Å²	62.1	50%	0.495	30%	0.303	S	S	.	.	H	α-helix	trans	-68.1	-33.4	177.7	-67.7	-57.8	-27.9	0	0	112.7	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.28Å; D85-Q89 PolarHBondContact O-N 3.49Å; R86-Q89 PolarHBondContact O-N 2.83Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 2.86Å; Q89-R93 WeakPolarHBondContact O-CB 3.36Å; Q89-R93 WeakPolarHBondContact O-CG 3.37Å; Q89-R93 PolarHBondContact O-N 3.47Å; Q89-R93 PolarHBondContact O-NE 2.97Å
90	K	97.5	Very high	97.8	Very high	62 Å²	62	64.8 Å²	64.8	27%	0.27	32%	0.319	S	S	.	.	H	α-helix	trans	-62.4	-48.5	171.5	-74.3	170.6	177.5	173.8	0	111	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 2.74Å; R86-K90 PolarHBondContact O-N 3.37Å; E87-K90 WeakPolarHBondContact O-CB 3.46Å; E87-K90 PolarHBondContact O-N 3.02Å; E87-K90 VanDerWaalsContact O-N 3.11Å; E87-K90 IonicContact OE1-NZ 3.4Å; E87-K90 PolarHBondContact OE1-NZ 3.37Å; E87-K90 WeakPolarHBondContact OE2-CD 3.33Å; E87-K90 IonicContact OE2-NZ 2.72Å; E87-K90 PolarHBondContact OE2-NZ 2.94Å; K90-K92 PolarHBondContact O-N 3.23Å; K90-R93 PolarHBondContact O-N 3.13Å; K90-Q94 PolarHBondContact O-N 3.09Å
91	Y	98.5	Very high	97.9	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-44	177.8	-62.5	-48.6	0	0	0	112.3	Y33 F46 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.26Å; Y33-Y91 AromaticContact CE1-CE1 3.87Å; Y33-Y91 HydrophobicContact CE1-CE1 3.87Å; Y33-Y91 AromaticContact CZ-CE1 3.97Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.31Å; F46-Y91 HydrophobicContact CE1-CD1 4.39Å; A48-Y91 HydrophobicContact CB-CD1 3.64Å; A48-Y91 HydrophobicContact CB-CE1 3.64Å; A48-Y91 HydrophobicContact CB-CG 4.49Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.49Å; V58-Y91 HydrophobicContact CG2-CE2 4.23Å; F60-Y91 HydrophobicContact CB-CD1 4.38Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.8Å; F60-Y91 HydrophobicContact CD1-CG 4.37Å; F60-Y91 AromaticContact CD2-CD2 3.71Å; F60-Y91 HydrophobicContact CD2-CD2 3.71Å; F60-Y91 AromaticContact CD2-CG 3.98Å; F60-Y91 HydrophobicContact CD2-CG 3.98Å; F60-Y91 AromaticContact CG-CD2 3.8Å; F60-Y91 HydrophobicContact CG-CD2 3.8Å; F60-Y91 AromaticContact CG-CG 3.8Å; F60-Y91 HydrophobicContact CG-CG 3.8Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.42Å; E87-Y91 PolarHBondContact O-N 3.2Å; T88-Y91 PolarHBondContact O-N 3.35Å; Y91-R93 PolarHBondContact O-N 3.01Å; Y91-Q94 PolarHBondContact O-N 3.43Å; Y91-A95 WeakPolarHBondContact O-CB 3.3Å; Y91-A95 PolarHBondContact O-N 3.45Å
92	K	98.4	Very high	98	Very high	84 Å²	84	60.4 Å²	60.4	37%	0.365	29%	0.285	S	S	.	.	H	α-helix	trans	-61.2	-42.5	176.4	-73.4	178.8	178.3	176.3	0	112.6	F60 P67 T88 K90 A95 Q96	F60-K92 HydrophobicContact CE2-CG 4.29Å; F60-K92 HydrophobicContact CZ-CG 4.07Å; P67-K92 WeakPolarHBondContact O-CE 3.36Å; P67-K92 PolarHBondContact O-NZ 3.11Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CG 3.49Å; T88-K92 PolarHBondContact O-N 3.38Å; K90-K92 PolarHBondContact O-N 3.23Å; K92-A95 PolarHBondContact O-N 3.29Å; K92-Q96 PolarHBondContact O-N 2.98Å
93	R	98.3	Very high	98	Very high	163 Å²	163	58.4 Å²	58.4	62%	0.615	27%	0.27	S	S	*	.	H	α-helix	trans	-66	-39.9	175.3	-74.8	-173.6	-65.3	171.6	-0.3	112.2	Q89 K90 Y91 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.36Å; Q89-R93 WeakPolarHBondContact O-CG 3.37Å; Q89-R93 PolarHBondContact O-N 3.47Å; Q89-R93 PolarHBondContact O-NE 2.97Å; K90-R93 PolarHBondContact O-N 3.13Å; Y91-R93 PolarHBondContact O-N 3.01Å; R93-Q96 PolarHBondContact O-N 3.46Å; R93-T97 PolarHBondContact O-N 3.08Å; R93-T97 PolarHBondContact O-OG1 2.96Å
94	Q	98.3	Very high	98.1	Very high	29 Å²	29	61.4 Å²	61.4	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-43.5	176.5	-171.7	67.3	55.7	0	0	111.4	Y33 F46 K90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.62Å; Y33-Q94 HydrophobicContact CE2-CB 4.33Å; Y33-Q94 HydrophobicContact CE2-CG 3.66Å; F46-Q94 HydrophobicContact CE2-CB 4.28Å; F46-Q94 HydrophobicContact CE2-CG 3.77Å; F46-Q94 HydrophobicContact CZ-CB 3.97Å; F46-Q94 HydrophobicContact CZ-CG 3.8Å; K90-Q94 PolarHBondContact O-N 3.09Å; Y91-Q94 PolarHBondContact O-N 3.43Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 3.35Å; Q94-T97 CarbonylContact O-C 3.48Å; Q94-T97 WeakPolarHBondContact O-CA 3.39Å; Q94-T97 WeakPolarHBondContact O-CB 3.37Å; Q94-T97 PolarHBondContact O-N 3.43Å; Q94-D98 PolarHBondContact NE2-OD1 2.84Å; Q94-D98 PolarHBondContact O-N 2.94Å
95	A	98.4	Very high	98.1	Very high	18 Å²	18	60 Å²	60	15%	0.149	28%	0.282	C	S	.	.	H	α-helix	trans	-56.2	-41	176.4	0	0	0	0	0	112.3	F46 Y91 K92 R99	F46-A95 HydrophobicContact CB-CB 3.69Å; F46-A95 HydrophobicContact CD1-CB 3.82Å; F46-A95 HydrophobicContact CD2-CB 4.17Å; F46-A95 HydrophobicContact CG-CB 3.62Å; Y91-A95 WeakPolarHBondContact O-CB 3.3Å; Y91-A95 PolarHBondContact O-N 3.45Å; K92-A95 PolarHBondContact O-N 3.29Å; A95-R99 WeakPolarHBondContact O-CB 3.28Å; A95-R99 PolarHBondContact O-N 3.04Å
96	Q	98.1	Very high	98.1	Very high	110 Å²	110	57.8 Å²	57.8	51%	0.514	27%	0.266	S	S	.	.	H	α-helix	trans	-67.1	-39.2	174.1	-64.3	-54.8	-39.7	0	0	112.5	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 2.98Å; R93-Q96 PolarHBondContact O-N 3.46Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 3.35Å; Q96-R99 WeakPolarHBondContact O-CB 3.36Å; Q96-R99 PolarHBondContact O-N 3.35Å; Q96-V100 WeakPolarHBondContact O-CG2 3.4Å; Q96-V100 PolarHBondContact O-N 3.26Å; Q96-V100 VanDerWaalsContact O-N 3.15Å
97	T	98.1	Very high	98.1	Very high	74 Å²	74	55 Å²	55	45%	0.454	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-43.7	176.5	-56.9	0	0	0	0	111.2	R93 Q94 V100 S101	R93-T97 PolarHBondContact O-N 3.08Å; R93-T97 PolarHBondContact O-OG1 2.96Å; Q94-T97 CarbonylContact O-C 3.48Å; Q94-T97 WeakPolarHBondContact O-CA 3.39Å; Q94-T97 WeakPolarHBondContact O-CB 3.37Å; Q94-T97 PolarHBondContact O-N 3.43Å; T97-V100 PolarHBondContact O-N 3Å; T97-S101 WeakPolarHBondContact O-CB 3.42Å; T97-S101 PolarHBondContact O-N 3.01Å; T97-S101 PolarHBondContact O-OG 2.6Å
98	D	98.3	Very high	98.1	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.011	28%	0.277	C	S	.	.	H	α-helix	trans	-69.9	-35.3	180	-71.6	1.6	0	0	0	111.4	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.67Å; F46-D98 VanDerWaalsContact CE2-OD2 3.24Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.33Å; Q94-D98 PolarHBondContact NE2-OD1 2.84Å; Q94-D98 PolarHBondContact O-N 2.94Å; D98-V100 VanDerWaalsContact C-N 3.33Å; D98-V100 PolarHBondContact O-N 3.01Å; D98-S101 PolarHBondContact O-N 3.29Å; D98-L102 WeakPolarHBondContact O-CB 3.37Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.06Å; D98-L102 PolarHBondContact O-N 3.17Å; D98-L119 HydrophobicContact CB-CD2 4.16Å
99	R	98.1	Very high	98.1	Very high	74 Å²	74	60 Å²	60	28%	0.279	29%	0.287	S	S	.	.	H	α-helix	trans	-58.7	-43	170.6	177	-168.2	171.3	175.1	11	112.3	E43 P44 A95 Q96 R103	E43-R99 IonicContact OE1-CZ 3.69Å; E43-R99 IonicContact OE1-NE 3.42Å; E43-R99 IonicContact OE1-NH1 2.71Å; E43-R99 PolarHBondContact OE1-NH1 2.68Å; E43-R99 IonicContact OE1-NH2 3.79Å; E43-R99 PolarHBondContact OE1-NH2 3.08Å; E43-R99 WeakPolarHBondContact OE2-CD 3.45Å; E43-R99 IonicContact OE2-CZ 3.75Å; E43-R99 IonicContact OE2-NE 3.31Å; E43-R99 PolarHBondContact OE2-NE 3.02Å; E43-R99 IonicContact OE2-NH1 2.8Å; E43-R99 PolarHBondContact OE2-NH1 3.08Å; E43-R99 IonicContact OE2-NH2 2.76Å; E43-R99 PolarHBondContact OE2-NH2 2.63Å; E43-R99 VanDerWaalsContact OE2-NH2 3.1Å; P44-R99 HydrophobicContact CG-CB 4.35Å; P44-R99 HydrophobicContact CG-CG 4.14Å; A95-R99 WeakPolarHBondContact O-CB 3.28Å; A95-R99 PolarHBondContact O-N 3.04Å; Q96-R99 WeakPolarHBondContact O-CB 3.36Å; Q96-R99 PolarHBondContact O-N 3.35Å; R99-R103 PolarHBondContact O-N 3.4Å; R99-R103 PolarHBondContact O-NE 2.87Å
100	V	98	Very high	98	Very high	66 Å²	66	62.3 Å²	62.3	40%	0.4	30%	0.302	S	S	.	.	H	α-helix	trans	-69.6	-41	175.8	175.1	0	0	0	0	110.2	Q96 T97 D98 L102 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.4Å; Q96-V100 PolarHBondContact O-N 3.26Å; Q96-V100 VanDerWaalsContact O-N 3.15Å; T97-V100 PolarHBondContact O-N 3Å; D98-V100 VanDerWaalsContact C-N 3.33Å; D98-V100 PolarHBondContact O-N 3.01Å; V100-L102 PolarHBondContact O-N 3.38Å; V100-R103 WeakPolarHBondContact O-CB 3.35Å; V100-R103 PolarHBondContact O-N 2.83Å; V100-N104 PolarHBondContact O-N 2.81Å
101	S	98.3	Very high	98	Very high	36 Å²	36	62.2 Å²	62.2	25%	0.252	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-44.1	179.5	-58.9	0	0	0	0	112	T97 D98 R103 N104 L105	T97-S101 WeakPolarHBondContact O-CB 3.42Å; T97-S101 PolarHBondContact O-N 3.01Å; T97-S101 PolarHBondContact O-OG 2.6Å; D98-S101 PolarHBondContact O-N 3.29Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.93Å; S101-N104 PolarHBondContact O-N 3.19Å; S101-N104 VanDerWaalsContact O-N 3.14Å; S101-L105 WeakPolarHBondContact O-CB 2.98Å; S101-L105 WeakPolarHBondContact O-CD1 3.09Å; S101-L105 VanDerWaalsContact O-CG 3.22Å; S101-L105 WeakPolarHBondContact O-CG 3.41Å; S101-L105 PolarHBondContact O-N 3.47Å
102	L	98.5	Very high	97.9	Very high	8 Å²	8	66.1 Å²	66.1	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-57	-40	174.1	-76.9	166.5	0	0	0	112.3	A35 P44 D98 V100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.9Å; P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.88Å; D98-L102 WeakPolarHBondContact O-CB 3.37Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.06Å; D98-L102 PolarHBondContact O-N 3.17Å; V100-L102 PolarHBondContact O-N 3.38Å; L102-R106 WeakPolarHBondContact O-CB 3.07Å; L102-R106 PolarHBondContact O-N 3.02Å; L102-R106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.29Å; L102-L119 HydrophobicContact CD2-CB 3.65Å; L102-L119 HydrophobicContact CG-CB 4.07Å; L102-Y142 HydrophobicContact CD2-CE2 4.03Å
103	R	97.3	Very high	97.6	Very high	121 Å²	121	68.5 Å²	68.5	46%	0.457	34%	0.343	S	S	.	.	H	α-helix	trans	-67.1	-42.5	175.6	-74.8	-177.8	-82.2	168.5	-6.6	112.2	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 3.4Å; R99-R103 PolarHBondContact O-NE 2.87Å; V100-R103 WeakPolarHBondContact O-CB 3.35Å; V100-R103 PolarHBondContact O-N 2.83Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.93Å; R103-G107 PolarHBondContact O-N 2.64Å
104	N	97.9	Very high	97.4	Very high	71 Å²	71	64.7 Å²	64.7	38%	0.38	35%	0.346	S	S	.	.	H	α-helix	trans	-65	-46.8	177.7	-69	-20	0	0	0	111.5	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 2.81Å; S101-N104 PolarHBondContact O-N 3.19Å; S101-N104 VanDerWaalsContact O-N 3.14Å; N104-G107 CarbonylContact O-C 3.58Å; N104-G107 WeakPolarHBondContact O-CA 3.36Å; N104-G107 PolarHBondContact O-N 2.95Å; N104-G107 VanDerWaalsContact O-N 3.11Å; N104-Y108 HydrophobicContact CB-CE2 4.4Å; N104-Y108 WeakPolarHBondContact O-CD1 3.4Å; N104-Y108 VanDerWaalsContact O-CG 3.29Å; N104-Y108 PolarHBondContact O-N 3.45Å
105	L	98.4	Very high	97.2	Very high	7 Å²	7	64.5 Å²	64.5	4%	0.037	35%	0.351	C	S	.	.	H	α-helix	trans	-59.3	-49	179.5	-71.7	163.5	0	0	0	110.9	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 2.98Å; S101-L105 WeakPolarHBondContact O-CD1 3.09Å; S101-L105 VanDerWaalsContact O-CG 3.22Å; S101-L105 WeakPolarHBondContact O-CG 3.41Å; S101-L105 PolarHBondContact O-N 3.47Å; L105-G107 PolarHBondContact O-N 2.84Å; L105-Y108 PolarHBondContact O-N 3.49Å; L105-Y109 HydrophobicContact CD2-CE2 4.23Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.21Å; L105-Y109 PolarHBondContact O-N 3.13Å; L105-L119 HydrophobicContact CD1-CD1 3.82Å; L105-L119 HydrophobicContact CD1-CD2 4.21Å; L105-L119 HydrophobicContact CD1-CG 4.45Å; L105-Y142 HydrophobicContact CB-CD1 4.34Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 3.96Å; L105-Y142 HydrophobicContact CB-CE2 3.81Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 3.92Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CD2-CG 4.42Å; L105-Y142 HydrophobicContact CG-CD2 4.38Å; L105-Y142 HydrophobicContact CG-CE2 4.45Å; L105-Y147 HydrophobicContact CD2-CD1 4.33Å; L105-Y147 HydrophobicContact CD2-CD2 3.96Å; L105-Y147 HydrophobicContact CD2-CE1 3.8Å; L105-Y147 HydrophobicContact CD2-CE2 3.35Å; L105-Y147 HydrophobicContact CD2-CG 4.41Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.43Å
106	R	97.5	Very high	97.1	Very high	62 Å²	62	67.3 Å²	67.3	23%	0.234	37%	0.37	C	S	.	.	H	α-helix	trans	-52.8	-42.3	174.3	-173.1	-173.1	66.2	179.6	9.9	112	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.07Å; L102-R106 PolarHBondContact O-N 3.02Å; L102-R106 VanDerWaalsContact O-N 3.08Å; R106-N110 PolarHBondContact O-N 2.99Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 WeakPolarHBondContact CG-O 3.27Å; R106-Q111 PolarHBondContact O-N 2.75Å; R106-E113 IonicContact CZ-OE1 2.8Å; R106-E113 IonicContact NH1-OE1 3.36Å; R106-E113 IonicContact NH2-OE1 3.8Å; R106-E113 PolarHBondContact NH2-OE1 3.23Å
107	G	97.6	Very high	97.2	Very high	43 Å²	43	62.9 Å²	62.9	44%	0.443	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-45.9	175.3	0	0	0	0	0	113.2	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.64Å; N104-G107 CarbonylContact O-C 3.58Å; N104-G107 WeakPolarHBondContact O-CA 3.36Å; N104-G107 PolarHBondContact O-N 2.95Å; N104-G107 VanDerWaalsContact O-N 3.11Å; L105-G107 PolarHBondContact O-N 2.84Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 3.33Å; G107-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-OD1 3.43Å
108	Y	98.2	Very high	97.2	Very high	56 Å²	56	61.1 Å²	61.1	22%	0.22	34%	0.338	C	S	.	.	H	α-helix	trans	-61.6	-34.7	179.2	-61.4	-17.4	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.4Å; N104-Y108 WeakPolarHBondContact O-CD1 3.4Å; N104-Y108 VanDerWaalsContact O-CG 3.29Å; N104-Y108 PolarHBondContact O-N 3.45Å; L105-Y108 PolarHBondContact O-N 3.49Å; Y108-I166 HydrophobicContact CD1-CD1 4.09Å; Y108-I166 HydrophobicContact CE1-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.32Å; Y108-I166 HydrophobicContact CE2-CG2 4.18Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; Y108-K170 PolarHBondContact OH-NZ 2.86Å
109	Y	98.1	Very high	97.2	Very high	69 Å²	69	61.2 Å²	61.2	27%	0.271	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	3.1	178.3	-69.5	-72.2	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.23Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.21Å; L105-Y109 PolarHBondContact O-N 3.13Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 3.14Å; Y109-Q111 PolarHBondContact O-N 3.29Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.51Å; Y109-Y142 HydrophobicContact CD2-CE1 3.51Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.11Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.33Å; Y109-D161 PolarHBondContact OH-OD2 3.04Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.37Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å
110	N	97.2	Very high	97.3	Very high	153 Å²	153	61.4 Å²	61.4	82%	0.818	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	40.4	-177	-56.9	-58.5	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 2.99Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 3.33Å; G107-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-OD1 3.43Å
111	Q	97.4	Very high	97.3	Very high	61 Å²	61	58.8 Å²	58.8	29%	0.285	33%	0.326	S	S	.	.			trans	-87.9	153	-176.9	-71	165.8	-35	0	0	112	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 WeakPolarHBondContact CG-O 3.27Å; R106-Q111 PolarHBondContact O-N 2.75Å; Y109-Q111 PolarHBondContact O-N 3.29Å; Q111-H117 PolarHBondContact NE2-CE1 2.97Å; Q111-H117 PolarHBondContact OE1-CE1 3.4Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.23Å; Q111-Y142 PolarHBondContact OE1-OH 3.21Å; Q111-D143 PolarHBondContact NE2-OD2 3.06Å
112	S	95.6	Very high	97.3	Very high	82 Å²	82	58.5 Å²	58.5	57%	0.573	32%	0.321	S	S	*	.			trans	-66.9	146.9	179.3	176.5	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 2.81Å; S112-A114 PolarHBondContact OG-N 2.84Å; S112-G115 PolarHBondContact O-N 2.92Å
113	E	92.8	Very high	97.3	Very high	134 Å²	134	59.1 Å²	59.1	63%	0.626	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.4	174.9	-56	-153	127.8	0	0	114	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CB-O 3.37Å; P39-E113 WeakPolarHBondContact CG-O 3.29Å; R106-E113 IonicContact CZ-OE1 2.8Å; R106-E113 IonicContact NH1-OE1 3.36Å; R106-E113 IonicContact NH2-OE1 3.8Å; R106-E113 PolarHBondContact NH2-OE1 3.23Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	A	93.3	Very high	97.4	Very high	82 Å²	82	53.3 Å²	53.3	68%	0.678	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.1	178.7	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 2.81Å; S112-A114 PolarHBondContact OG-N 2.84Å
115	G	94.1	Very high	97.4	Very high	25 Å²	25	50 Å²	50	26%	0.258	28%	0.283	S	S	.	.	S	Bend	trans	-74.4	136.5	-179.7	0	0	0	0	0	112.7	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.46Å; S112-G115 PolarHBondContact O-N 2.92Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 3.38Å; G115-H117 VanDerWaalsContact O-CD2 3.3Å
116	S	97.5	Very high	97.4	Very high	77 Å²	77	50.5 Å²	50.5	54%	0.538	29%	0.286	S	S	.	.			trans	-85.5	127.5	166.5	178.3	0	0	0	0	108.9	S37	S37-S116 WeakPolarHBondContact O-CB 3.24Å; S37-S116 PolarHBondContact O-OG 3.18Å
117	H	98.4	Very high	97.3	Very high	17 Å²	17	47.7 Å²	47.7	8%	0.079	28%	0.276	C	S	.	.			trans	-124.2	149.5	-179.2	-60.1	-76.2	0	0	0	111.6	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.07Å; S37-H117 WeakPolarHBondContact OG-CA 3.44Å; S37-H117 PolarHBondContact OG-N 3.2Å; S37-H117 PolarHBondContact OG-O 3.41Å; L102-H117 HydrophobicContact CD2-CB 4.29Å; Q111-H117 PolarHBondContact NE2-CE1 2.97Å; Q111-H117 PolarHBondContact OE1-CE1 3.4Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.23Å; G115-H117 PolarHBondContact O-CD2 3.38Å; G115-H117 VanDerWaalsContact O-CD2 3.3Å; H117-Y142 HydrophobicContact CB-CE2 3.73Å; H117-Y142 WeakPolarHBondContact CB-OH 3Å; H117-Y142 AromaticContact CG-CZ 3.95Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 3.01Å; H117-D143 WeakPolarHBondContact CA-OD1 3.38Å; H117-D143 WeakPolarHBondContact CB-OD1 3.46Å; H117-D143 IonicContact CE1-OD2 3.98Å; H117-D143 IonicContact CG-OD1 3.25Å; H117-D143 IonicContact CG-OD2 3.43Å; H117-D143 IonicContact ND1-OD1 3.37Å; H117-D143 IonicContact ND1-OD2 3.66Å; H117-D143 PolarHBondContact ND1-OD2 2.99Å
118	T	98.8	Very high	97.1	Very high	37 Å²	37	46 Å²	46	23%	0.227	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.2	-177.4	-58.7	0	0	0	0	110.5	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.99Å; A35-T118 WeakPolarHBondContact O-CA 3.35Å; V36-T118 HydrophobicContact CG2-CG2 4.21Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; T118-Y142 WeakPolarHBondContact O-CA 3.25Å; T118-Y142 VanDerWaalsContact O-CD2 3.22Å; T118-Y142 WeakPolarHBondContact O-CD2 3.43Å; T118-D143 PolarHBondContact N-OD1 3.11Å; T118-D143 PolarHBondContact O-N 2.79Å
119	L	98.9	Very high	96.6	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.3	170.1	175.2	62.7	0	0	0	108.5	T34 A35 D98 L102 L105 F140	T34-L119 WeakPolarHBondContact CA-O 3.37Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 3.48Å; A35-L119 PolarHBondContact O-N 3.42Å; D98-L119 HydrophobicContact CB-CD2 4.16Å; L102-L119 HydrophobicContact CD2-CB 3.65Å; L102-L119 HydrophobicContact CG-CB 4.07Å; L105-L119 HydrophobicContact CD1-CD1 3.82Å; L105-L119 HydrophobicContact CD1-CD2 4.21Å; L105-L119 HydrophobicContact CD1-CG 4.45Å; L119-F140 HydrophobicContact CD1-CD1 4.19Å
120	Q	98.9	Very high	96.1	Very high	78 Å²	78	49.2 Å²	49.2	36%	0.364	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.4	177.2	-66.6	170.8	-80.6	0	0	110	Y33 T34 T118 F140 A141	Y33-Q120 CarbonylContact O-C 3.6Å; Y33-Q120 VanDerWaalsContact O-CA 3.28Å; Y33-Q120 WeakPolarHBondContact O-CA 3.34Å; T34-Q120 HydrophobicContact CG2-CG 4.1Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; Q120-F140 CarbonylContact O-C 3.59Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.47Å; Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 2.88Å; Q120-A141 PolarHBondContact O-N 3.49Å
121	R	98.6	Very high	95.7	Very high	11 Å²	11	42.8 Å²	42.8	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.7	173.2	-176.7	-169.5	-176.7	-174.9	-4.2	109.6	F32 Y33 Y123 N138 Q139 F140	F32-R121 WeakPolarHBondContact CA-O 3.17Å; Y33-R121 PolarHBondContact N-O 2.86Å; Y33-R121 PolarHBondContact O-N 3.34Å; R121-Y123 HydrophobicContact CG-CD1 4.28Å; R121-N138 PolarHBondContact NE-OD1 3.09Å; R121-N138 PolarHBondContact NH2-OD1 3.13Å; R121-Q139 CarbonylContact C-O 3.55Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.36Å; R121-F140 HydrophobicContact CB-CD1 3.78Å; R121-F140 HydrophobicContact CB-CE1 3.74Å; R121-F140 HydrophobicContact CB-CG 4.41Å; R121-F140 HydrophobicContact CB-CZ 4.3Å; R121-F140 VanDerWaalsContact CD-CE1 3.47Å; R121-F140 HydrophobicContact CG-CD1 3.88Å; R121-F140 HydrophobicContact CG-CD2 4.29Å; R121-F140 HydrophobicContact CG-CE1 3.54Å; R121-F140 HydrophobicContact CG-CE2 3.93Å; R121-F140 HydrophobicContact CG-CG 4.27Å; R121-F140 HydrophobicContact CG-CZ 3.57Å; R121-F140 VanDerWaalsContact NE-CZ 3.31Å
122	M	98.7	Very high	95.5	Very high	30 Å²	30	48 Å²	48	15%	0.148	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131	165.8	-175.2	-79.1	-77.8	0	0	108.7	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.44Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.13Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CZ-CG 4.02Å; M122-Y137 HydrophobicContact CE-CD1 3.94Å; M122-Y137 HydrophobicContact CE-CG 3.98Å; M122-Y137 HydrophobicContact SD-CG 4.19Å; M122-N138 WeakPolarHBondContact O-CA 3.45Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 HydrophobicContact CE-CG 4.07Å; M122-Q139 VanDerWaalsContact CE-OE1 3.26Å; M122-Q139 PolarHBondContact N-O 2.86Å; M122-Q139 PolarHBondContact O-N 3.21Å
123	Y	98.7	Very high	95.6	Very high	20 Å²	20	46.7 Å²	46.7	8%	0.078	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	153.9	171.5	73.9	-84.8	0	0	0	110.6	Y31 Y33 R121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.48Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 HydrophobicContact CD2-CE1 4.49Å; Y31-Y123 AromaticContact CD2-CE2 3.65Å; Y31-Y123 HydrophobicContact CD2-CE2 3.65Å; Y31-Y123 AromaticContact CD2-CZ 3.67Å; Y31-Y123 HydrophobicContact CE2-CE2 4.38Å; Y31-Y123 HydrophobicContact CG-CE1 4.14Å; Y31-Y123 HydrophobicContact CG-CE2 4.12Å; Y31-Y123 AromaticContact CG-CZ 3.64Å; Y31-Y123 PolarHBondContact N-O 3.34Å; Y31-Y123 PolarHBondContact O-N 3.43Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å; Y33-Y123 HydrophobicContact CD2-CE1 4.12Å; Y33-Y123 HydrophobicContact CE1-CE1 4.03Å; Y33-Y123 AromaticContact CE2-CE1 3.53Å; Y33-Y123 HydrophobicContact CE2-CE1 3.53Å; Y33-Y123 AromaticContact CZ-CE1 3.51Å; Y33-Y123 AromaticContact CZ-CZ 3.92Å; Y33-Y123 PolarHBondContact OH-OH 2.96Å; R121-Y123 HydrophobicContact CG-CD1 4.28Å; Y123-Y137 WeakPolarHBondContact CA-O 3.12Å; Y123-Y137 VanDerWaalsContact CB-O 3.26Å; Y123-Y137 WeakPolarHBondContact CB-O 3.5Å; Y123-Y183 AromaticContact CD2-CE1 3.81Å; Y123-Y183 HydrophobicContact CD2-CE1 3.81Å; Y123-Y183 AromaticContact CE2-CE1 3.65Å; Y123-Y183 HydrophobicContact CE2-CE1 3.65Å; Y123-Y183 AromaticContact CE2-CZ 3.89Å
124	G	98.4	Very high	95.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-179.8	-171.2	0	0	0	0	0	113.4	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; G124-Y137 PolarHBondContact N-O 2.66Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 PolarHBondContact O-N 3.1Å; G124-L184 WeakPolarHBondContact O-CD2 3.43Å
125	C	98.4	Very high	95.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.5	177	52.8	0	0	0	0	110.6	S28 M29 L133 H135 C188	S28-C125 WeakPolarHBondContact CA-O 3.18Å; M29-C125 PolarHBondContact N-O 3.37Å; M29-C125 PolarHBondContact O-N 3.47Å; C125-L133 HydrophobicContact CB-CD1 3.55Å; C125-H135 CarbonylContact C-O 3.55Å; C125-H135 WeakPolarHBondContact CA-O 3.46Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.5Å; C125-C188 PolarHBondContact N-SG 3.4Å; C125-C188 WeakPolarHBondContact SG-CB 3.24Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.95Å
126	D	97.6	Very high	96	Very high	18 Å²	18	43.4 Å²	43.4	10%	0.096	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.5	170.7	-62.9	-12.8	0	0	0	109.2	H27 S28 R30 L134 H135 Y137	H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.46Å; S28-D126 WeakPolarHBondContact CB-OD1 3.5Å; R30-D126 IonicContact CZ-OD1 3.52Å; R30-D126 IonicContact NE-OD1 2.84Å; R30-D126 IonicContact NH2-OD1 2.76Å; R30-D126 PolarHBondContact NH2-OD1 2.93Å; R30-D126 IonicContact NH2-OD2 2.87Å; R30-D126 PolarHBondContact NH2-OD2 3.23Å; D126-L134 HydrophobicContact CB-CB 4.4Å; D126-L134 PolarHBondContact O-N 2.62Å; D126-H135 HydrophobicContact CB-CB 4.35Å; D126-H135 PolarHBondContact N-O 2.83Å; D126-H135 PolarHBondContact O-N 3.29Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.25Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.25Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.48Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.29Å; D126-Y137 PolarHBondContact OD2-OH 3.44Å
127	L	96.3	Very high	95.9	Very high	3 Å²	3	42 Å²	42	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.1	172.7	-57.1	-177.5	0	0	0	109.9	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.4Å; S26-L127 WeakPolarHBondContact CB-O 3.5Å; H27-L127 PolarHBondContact N-O 2.82Å; H27-L127 VanDerWaalsContact N-O 3.13Å; H27-L127 PolarHBondContact O-N 3.42Å; L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.49Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.81Å; L127-L192 HydrophobicContact CB-CD2 4.5Å; L127-L192 HydrophobicContact CD1-CB 4.24Å; L127-L192 HydrophobicContact CD1-CD2 3.73Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.18Å; L127-R193 HydrophobicContact CD1-CG 3.89Å
128	G	92.9	Very high	95.9	Very high	8 Å²	8	41.3 Å²	41.3	8%	0.082	21%	0.21	C	C	.	.			trans	-69.4	174.6	164.9	0	0	0	0	0	111.9	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.81Å; G128-G131 WeakPolarHBondContact O-CA 3.37Å; G128-G131 PolarHBondContact O-N 3.46Å; G128-R132 PolarHBondContact N-O 2.92Å
129	P	88.3	Confident	95.9	Very high	91 Å²	91	43 Å²	43	59%	0.591	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-26	178.5	-18.8	27.9	0	0	0	113.8	A24 G131	A24-P129 HydrophobicContact CB-CB 4.32Å; A24-P129 HydrophobicContact CB-CG 3.28Å; P129-G131 PolarHBondContact O-N 2.8Å
130	D	88.4	Confident	95.9	Very high	101 Å²	101	43.7 Å²	43.7	54%	0.54	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	2.2	174.4	70.6	-15	0	0	0	112.9	G128 R132	G128-D130 PolarHBondContact O-N 2.81Å; D130-R132 PolarHBondContact O-N 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.46Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 VanDerWaalsContact OD2-CG 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.36Å; D130-R132 IonicContact OD2-NE 2.76Å
131	G	88.3	Confident	95.9	Very high	18 Å²	18	40.8 Å²	40.8	19%	0.186	21%	0.207	C	C	.	.	S	Bend	trans	72.6	10	-178.9	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.37Å; G128-G131 PolarHBondContact O-N 3.46Å; P129-G131 PolarHBondContact O-N 2.8Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 2.86Å; G131-R193 PolarHBondContact O-NH2 3.34Å
132	R	93.3	Very high	95.9	Very high	172 Å²	172	40.7 Å²	40.7	65%	0.649	21%	0.207	S	C	*	.	S	Bend	trans	-88.8	155.7	177.8	-62.2	-173.3	-177.3	166	-2.8	111.2	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.49Å; G128-R132 PolarHBondContact N-O 2.92Å; D130-R132 PolarHBondContact O-N 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.46Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 VanDerWaalsContact OD2-CG 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.36Å; D130-R132 IonicContact OD2-NE 2.76Å; R132-L134 PolarHBondContact O-N 3.27Å; R132-L134 VanDerWaalsContact O-N 3.14Å
133	L	96.3	Very high	95.9	Very high	53 Å²	53	42.2 Å²	42.2	28%	0.277	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	118.9	174.8	-176.6	72.6	0	0	0	109.6	C125 H135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.55Å; L133-H135 VanDerWaalsContact CD1-O 3.27Å; L133-H135 WeakPolarHBondContact CD1-O 3.32Å; L133-L154 HydrophobicContact CD2-CD1 4.15Å; L133-E185 HydrophobicContact CD2-CB 4.42Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 4.02Å
134	L	95.6	Very high	95.9	Very high	123 Å²	123	44.1 Å²	44.1	64%	0.644	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	-46.2	172.1	-178.4	64.4	0	0	0	110.4	D126 R132	D126-L134 HydrophobicContact CB-CB 4.4Å; D126-L134 PolarHBondContact O-N 2.62Å; R132-L134 PolarHBondContact O-N 3.27Å; R132-L134 VanDerWaalsContact O-N 3.14Å
135	H	95.5	Very high	95.9	Very high	46 Å²	46	51.8 Å²	51.8	21%	0.213	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	148.9	-178.4	-164.9	96.1	0	0	0	111.6	C125 D126 L133 Y137 E152	C125-H135 CarbonylContact C-O 3.55Å; C125-H135 WeakPolarHBondContact CA-O 3.46Å; D126-H135 HydrophobicContact CB-CB 4.35Å; D126-H135 PolarHBondContact N-O 2.83Å; D126-H135 PolarHBondContact O-N 3.29Å; L133-H135 VanDerWaalsContact CD1-O 3.27Å; L133-H135 WeakPolarHBondContact CD1-O 3.32Å; H135-Y137 HydrophobicContact CB-CE2 4.32Å; H135-Y137 AromaticContact CD2-CD1 3.5Å; H135-Y137 VanDerWaalsContact CD2-CD1 3.5Å; H135-Y137 WeakPolarHBondContact CD2-CD1 3.34Å; H135-Y137 AromaticContact CD2-CD2 3.84Å; H135-Y137 AromaticContact CD2-CE1 3.12Å; H135-Y137 WeakPolarHBondContact CD2-CE1 3.43Å; H135-Y137 AromaticContact CD2-CE2 3.48Å; H135-Y137 VanDerWaalsContact CD2-CE2 3.48Å; H135-Y137 WeakPolarHBondContact CD2-CE2 3.31Å; H135-Y137 AromaticContact CD2-CG 3.84Å; H135-Y137 AromaticContact CD2-CZ 3.11Å; H135-Y137 AromaticContact CG-CZ 3.83Å; H135-Y137 AromaticContact NE2-CD1 3.54Å; H135-Y137 AromaticContact NE2-CE1 3.31Å; H135-Y137 VanDerWaalsContact NE2-CE1 3.31Å; H135-Y137 WeakPolarHBondContact NE2-CE1 3.48Å; H135-Y137 AromaticContact NE2-CZ 3.81Å; H135-E152 IonicContact CE1-OE1 3.52Å
136	G	97.6	Very high	95.9	Very high	3 Å²	3	57.6 Å²	57.6	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.9	175.1	0	0	0	0	0	111.6	L154	G136-L154 WeakPolarHBondContact O-CD2 3.5Å
137	Y	96.4	Very high	95.9	Very high	49 Å²	49	57.1 Å²	57.1	19%	0.192	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.4	-175.6	-52.1	-90	0	0	0	111.1	M122 Y123 G124 D126 H135	M122-Y137 HydrophobicContact CE-CD1 3.94Å; M122-Y137 HydrophobicContact CE-CG 3.98Å; M122-Y137 HydrophobicContact SD-CG 4.19Å; Y123-Y137 WeakPolarHBondContact CA-O 3.12Å; Y123-Y137 VanDerWaalsContact CB-O 3.26Å; Y123-Y137 WeakPolarHBondContact CB-O 3.5Å; G124-Y137 PolarHBondContact N-O 2.66Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 PolarHBondContact O-N 3.1Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.25Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.25Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.48Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.29Å; D126-Y137 PolarHBondContact OD2-OH 3.44Å; H135-Y137 HydrophobicContact CB-CE2 4.32Å; H135-Y137 AromaticContact CD2-CD1 3.5Å; H135-Y137 VanDerWaalsContact CD2-CD1 3.5Å; H135-Y137 WeakPolarHBondContact CD2-CD1 3.34Å; H135-Y137 AromaticContact CD2-CD2 3.84Å; H135-Y137 AromaticContact CD2-CE1 3.12Å; H135-Y137 WeakPolarHBondContact CD2-CE1 3.43Å; H135-Y137 AromaticContact CD2-CE2 3.48Å; H135-Y137 VanDerWaalsContact CD2-CE2 3.48Å; H135-Y137 WeakPolarHBondContact CD2-CE2 3.31Å; H135-Y137 AromaticContact CD2-CG 3.84Å; H135-Y137 AromaticContact CD2-CZ 3.11Å; H135-Y137 AromaticContact CG-CZ 3.83Å; H135-Y137 AromaticContact NE2-CD1 3.54Å; H135-Y137 AromaticContact NE2-CE1 3.31Å; H135-Y137 VanDerWaalsContact NE2-CE1 3.31Å; H135-Y137 WeakPolarHBondContact NE2-CE1 3.48Å; H135-Y137 AromaticContact NE2-CZ 3.81Å
138	N	98.4	Very high	96.1	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.011	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	98.4	161.1	-179.1	58.8	0	0	0	109.7	R121 M122 L150 W157	R121-N138 PolarHBondContact NE-OD1 3.09Å; R121-N138 PolarHBondContact NH2-OD1 3.13Å; M122-N138 WeakPolarHBondContact O-CA 3.45Å; N138-L150 HydrophobicContact CB-CB 4.06Å; N138-L150 HydrophobicContact CB-CD2 4.19Å; N138-L150 WeakPolarHBondContact O-CB 3.43Å; N138-L150 PolarHBondContact O-N 2.92Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.28Å
139	Q	98.6	Very high	96.3	Very high	72 Å²	72	58.3 Å²	58.3	34%	0.336	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.7	-174.6	65.5	-165.3	71.2	0	0	111.8	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.55Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.36Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 HydrophobicContact CE-CG 4.07Å; M122-Q139 VanDerWaalsContact CE-OE1 3.26Å; M122-Q139 PolarHBondContact N-O 2.86Å; M122-Q139 PolarHBondContact O-N 3.21Å; Q139-I148 WeakPolarHBondContact CA-O 3.32Å; Q139-A149 HydrophobicContact CB-CB 3.88Å
140	F	98.8	Very high	96.8	Very high	19 Å²	19	54.6 Å²	54.6	8%	0.083	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.1	-179	-65.9	-105	0	0	0	110.3	L119 Q120 R121 Y147 I148 W171	L119-F140 HydrophobicContact CD1-CD1 4.19Å; Q120-F140 CarbonylContact O-C 3.59Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.47Å; R121-F140 HydrophobicContact CB-CD1 3.78Å; R121-F140 HydrophobicContact CB-CE1 3.74Å; R121-F140 HydrophobicContact CB-CG 4.41Å; R121-F140 HydrophobicContact CB-CZ 4.3Å; R121-F140 VanDerWaalsContact CD-CE1 3.47Å; R121-F140 HydrophobicContact CG-CD1 3.88Å; R121-F140 HydrophobicContact CG-CD2 4.29Å; R121-F140 HydrophobicContact CG-CE1 3.54Å; R121-F140 HydrophobicContact CG-CE2 3.93Å; R121-F140 HydrophobicContact CG-CG 4.27Å; R121-F140 HydrophobicContact CG-CZ 3.57Å; R121-F140 VanDerWaalsContact NE-CZ 3.31Å; F140-Y147 HydrophobicContact CB-CD1 4.43Å; F140-Y147 WeakPolarHBondContact O-CB 3.31Å; F140-Y147 PolarHBondContact O-N 2.87Å; F140-I148 HydrophobicContact CB-CG2 4.19Å; F140-I148 HydrophobicContact CD2-CG2 4.08Å; F140-I148 HydrophobicContact CG-CG2 4.42Å; F140-I148 PolarHBondContact N-O 3.32Å; F140-I148 PolarHBondContact O-N 2.85Å; F140-W171 AromaticContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CZ3 4.26Å; F140-W171 AromaticContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CH2 3.42Å; F140-W171 VanDerWaalsContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CZ2 4.48Å; F140-W171 AromaticContact CE2-CZ3 3.99Å; F140-W171 HydrophobicContact CE2-CZ3 3.99Å; F140-W171 AromaticContact CZ-CH2 3.8Å; F140-W171 HydrophobicContact CZ-CH2 3.8Å; F140-W171 HydrophobicContact CZ-CZ2 4.48Å
141	A	98.9	Very high	97.3	Very high	17 Å²	17	51.9 Å²	51.9	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.6	171.2	0	0	0	0	0	110.2	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 2.88Å; Q120-A141 PolarHBondContact O-N 3.49Å; A141-K145 CarbonylContact C-O 3.51Å; A141-K145 WeakPolarHBondContact CA-O 3.41Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.23Å
142	Y	98.8	Very high	97.7	Very high	10 Å²	10	58.5 Å²	58.5	4%	0.039	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.2	177	-175.7	-121.3	0	0	0	109.9	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.03Å; L105-Y142 HydrophobicContact CB-CD1 4.34Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 3.96Å; L105-Y142 HydrophobicContact CB-CE2 3.81Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 3.92Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CD2-CG 4.42Å; L105-Y142 HydrophobicContact CG-CD2 4.38Å; L105-Y142 HydrophobicContact CG-CE2 4.45Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.51Å; Y109-Y142 HydrophobicContact CD2-CE1 3.51Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Q111-Y142 PolarHBondContact OE1-OH 3.21Å; H117-Y142 HydrophobicContact CB-CE2 3.73Å; H117-Y142 WeakPolarHBondContact CB-OH 3Å; H117-Y142 AromaticContact CG-CZ 3.95Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 3.01Å; T118-Y142 WeakPolarHBondContact O-CA 3.25Å; T118-Y142 VanDerWaalsContact O-CD2 3.22Å; T118-Y142 WeakPolarHBondContact O-CD2 3.43Å; Y142-G144 PolarHBondContact O-N 3.21Å; Y142-K145 PolarHBondContact N-O 3.35Å; Y142-K145 PolarHBondContact O-N 3.32Å
143	D	98.4	Very high	97.9	Very high	61 Å²	61	54 Å²	54	33%	0.326	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	41	-174.7	-65.2	-21.8	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.06Å; H117-D143 WeakPolarHBondContact CA-OD1 3.38Å; H117-D143 WeakPolarHBondContact CB-OD1 3.46Å; H117-D143 IonicContact CE1-OD2 3.98Å; H117-D143 IonicContact CG-OD1 3.25Å; H117-D143 IonicContact CG-OD2 3.43Å; H117-D143 IonicContact ND1-OD1 3.37Å; H117-D143 IonicContact ND1-OD2 3.66Å; H117-D143 PolarHBondContact ND1-OD2 2.99Å; T118-D143 PolarHBondContact N-OD1 3.11Å; T118-D143 PolarHBondContact O-N 2.79Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.86Å
144	G	97.7	Very high	97.9	Very high	61 Å²	61	52 Å²	52	63%	0.629	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	7.2	177.7	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 3.21Å
145	K	98.6	Very high	98	Very high	160 Å²	160	54 Å²	54	70%	0.696	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.5	177.3	-62.6	179.5	-177.8	177.8	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.51Å; A141-K145 WeakPolarHBondContact CA-O 3.41Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.23Å; Y142-K145 PolarHBondContact N-O 3.35Å; Y142-K145 PolarHBondContact O-N 3.32Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.86Å; K145-Y147 PolarHBondContact O-N 3.03Å
146	D	98.8	Very high	98.2	Very high	123 Å²	123	53.7 Å²	53.7	66%	0.658	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.7	135.7	173.8	-67.5	-35.5	0	0	0	110.8	A160	D146-A160 HydrophobicContact CB-CB 4.46Å; D146-A160 WeakPolarHBondContact O-CB 3.32Å
147	Y	98.8	Very high	98.2	Very high	8 Å²	8	54 Å²	54	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-63.4	-179.2	179.1	-108.1	0	0	0	110.6	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.33Å; L105-Y147 HydrophobicContact CD2-CD2 3.96Å; L105-Y147 HydrophobicContact CD2-CE1 3.8Å; L105-Y147 HydrophobicContact CD2-CE2 3.35Å; L105-Y147 HydrophobicContact CD2-CG 4.41Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.43Å; Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.11Å; F140-Y147 HydrophobicContact CB-CD1 4.43Å; F140-Y147 WeakPolarHBondContact O-CB 3.31Å; F140-Y147 PolarHBondContact O-N 2.87Å; K145-Y147 PolarHBondContact O-N 3.03Å; Y147-A160 WeakPolarHBondContact O-CB 3.28Å; Y147-A160 PolarHBondContact O-N 3.33Å; Y147-A163 HydrophobicContact CE2-CB 4.46Å; Y147-A163 PolarHBondContact OH-O 3.2Å; Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.46Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.29Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.49Å; Y147-T167 PolarHBondContact OH-OG1 2.96Å
148	I	98.8	Very high	98.3	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	139.3	178.4	-161.9	173.4	0	0	0	110.6	Q139 F140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.32Å; F140-I148 HydrophobicContact CB-CG2 4.19Å; F140-I148 HydrophobicContact CD2-CG2 4.08Å; F140-I148 HydrophobicContact CG-CG2 4.42Å; F140-I148 PolarHBondContact N-O 3.32Å; F140-I148 PolarHBondContact O-N 2.85Å; I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.46Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.26Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; I148-T158 WeakPolarHBondContact CA-O 3.31Å; I148-T158 WeakPolarHBondContact CG1-O 3.42Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; I148-Q168 HydrophobicContact CD1-CB 3.91Å; I148-W171 HydrophobicContact CD1-CE3 4.11Å; I148-W171 HydrophobicContact CD1-CZ3 4.31Å; I148-W171 HydrophobicContact CG2-CE3 4.5Å; I148-W171 HydrophobicContact CG2-CH2 4Å; I148-W171 HydrophobicContact CG2-CZ3 3.69Å
149	A	98.8	Very high	98.3	Very high	31 Å²	31	56.4 Å²	56.4	26%	0.256	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.9	179	0	0	0	0	0	111.4	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.88Å; A149-W157 CarbonylContact O-C 3.53Å; A149-W157 WeakPolarHBondContact O-CA 3.4Å; A149-T158 PolarHBondContact N-O 3.39Å; A149-T158 PolarHBondContact O-N 2.94Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	55.8 Å²	55.8	7%	0.073	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.5	167	-174.9	67.9	0	0	0	108.2	N138 L154 W157 A177 R180 L184	N138-L150 HydrophobicContact CB-CB 4.06Å; N138-L150 HydrophobicContact CB-CD2 4.19Å; N138-L150 WeakPolarHBondContact O-CB 3.43Å; N138-L150 PolarHBondContact O-N 2.92Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.16Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.11Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.9Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-A177 HydrophobicContact CD1-CB 4.02Å; L150-R180 HydrophobicContact CD2-CB 4.02Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å
151	N	98.4	Very high	98.3	Very high	43 Å²	43	57.6 Å²	57.6	23%	0.23	32%	0.319	C	S	.	.			trans	-74	164.3	179.8	-66.5	-27	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.31Å; N151-D153 VanDerWaalsContact O-N 3.09Å; N151-L154 WeakPolarHBondContact O-CA 3.46Å; N151-L154 PolarHBondContact O-N 2.9Å; N151-S156 WeakPolarHBondContact CB-O 3.35Å; N151-S156 WeakPolarHBondContact CB-OG 3.22Å; N151-S156 PolarHBondContact N-O 2.85Å; N151-S156 PolarHBondContact ND2-OG 3.05Å; N151-T158 PolarHBondContact ND2-OG1 2.54Å; N151-T158 WeakPolarHBondContact OD1-CB 3.39Å; N151-T158 PolarHBondContact OD1-N 2.9Å; N151-T158 PolarHBondContact OD1-OG1 3.47Å
152	E	96.7	Very high	98.3	Very high	157 Å²	157	65.2 Å²	65.2	73%	0.734	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.9	-178.6	-48.1	-165.8	144.9	0	0	113.3	H135 L154	H135-E152 IonicContact CE1-OE1 3.52Å; E152-L154 PolarHBondContact O-N 3.12Å
153	D	96.9	Very high	98.2	Very high	79 Å²	79	65.1 Å²	65.1	42%	0.422	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-8.8	174.6	71.3	3.4	0	0	0	113.8	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.31Å; N151-D153 VanDerWaalsContact O-N 3.09Å; D153-R155 WeakPolarHBondContact O-CG 3.22Å; D153-R155 PolarHBondContact O-N 2.71Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 2.92Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 2.92Å; D153-S156 PolarHBondContact OD1-OG 3.32Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.48Å; D153-S156 PolarHBondContact OD2-OG 3.4Å
154	L	97.8	Very high	98.3	Very high	9 Å²	9	62.2 Å²	62.2	5%	0.047	34%	0.335	C	S	.	.	S	Bend	trans	53.9	25.2	-175.2	-53.5	-178.6	0	0	0	113.9	L133 G136 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.15Å; G136-L154 WeakPolarHBondContact O-CD2 3.5Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; N151-L154 WeakPolarHBondContact O-CA 3.46Å; N151-L154 PolarHBondContact O-N 2.9Å; E152-L154 PolarHBondContact O-N 3.12Å; L154-R181 HydrophobicContact CB-CB 4.06Å; L154-R181 HydrophobicContact CB-CG 3.84Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; L154-L184 HydrophobicContact CD2-CD1 3.93Å; L154-E185 HydrophobicContact CD1-CG 4.24Å
155	R	97.5	Very high	98.3	Very high	165 Å²	165	62.9 Å²	62.9	62%	0.623	32%	0.322	S	S	*	.	S	Bend	trans	-131.7	-32.1	-173.6	-71.3	170.5	-174.1	-128.1	9.5	112.7	D153 A177	D153-R155 WeakPolarHBondContact O-CG 3.22Å; D153-R155 PolarHBondContact O-N 2.71Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 2.92Å; R155-A177 WeakPolarHBondContact O-CB 3.45Å
156	S	97.9	Very high	98.3	Very high	40 Å²	40	58 Å²	58	28%	0.28	30%	0.303	S	S	.	.			trans	-115.2	163.6	-177.5	63.3	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.35Å; N151-S156 WeakPolarHBondContact CB-OG 3.22Å; N151-S156 PolarHBondContact N-O 2.85Å; N151-S156 PolarHBondContact ND2-OG 3.05Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 2.92Å; D153-S156 PolarHBondContact OD1-OG 3.32Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.48Å; D153-S156 PolarHBondContact OD2-OG 3.4Å
157	W	98.7	Very high	98.3	Very high	11 Å²	11	53 Å²	53	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.6	-178.2	-59.5	90.6	0	0	0	110.8	N138 I148 A149 L150 Q168 W171 E176 A177 R180	N138-W157 WeakPolarHBondContact ND2-CH2 3.28Å; I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.46Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.26Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; A149-W157 CarbonylContact O-C 3.53Å; A149-W157 WeakPolarHBondContact O-CA 3.4Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.16Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.11Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.9Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; W157-Q168 HydrophobicContact CB-CG 4.21Å; W157-Q168 PolarHBondContact O-NE2 2.94Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.46Å; W157-W171 AromaticContact CE2-CE3 3.8Å; W157-W171 AromaticContact CE3-CE3 3.8Å; W157-W171 HydrophobicContact CE3-CE3 3.8Å; W157-W171 AromaticContact CE3-CZ3 3.85Å; W157-W171 HydrophobicContact CE3-CZ3 3.85Å; W157-W171 AromaticContact CH2-CE3 3.4Å; W157-W171 HydrophobicContact CH2-CE3 3.4Å; W157-W171 AromaticContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CH2-CZ3 3.44Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.1Å; W157-W171 AromaticContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CE3 3.55Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; W157-E176 HydrophobicContact CZ2-CB 4.18Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å; W157-R180 HydrophobicContact CH2-CG 4.28Å
158	T	98.6	Very high	98.3	Very high	78 Å²	78	54.6 Å²	54.6	48%	0.479	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.8	166.7	-66.4	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.31Å; I148-T158 WeakPolarHBondContact CG1-O 3.42Å; A149-T158 PolarHBondContact N-O 3.39Å; A149-T158 PolarHBondContact O-N 2.94Å; N151-T158 PolarHBondContact ND2-OG1 2.54Å; N151-T158 WeakPolarHBondContact OD1-CB 3.39Å; N151-T158 PolarHBondContact OD1-N 2.9Å; N151-T158 PolarHBondContact OD1-OG1 3.47Å
159	A	98.7	Very high	98.3	Very high	22 Å²	22	61.7 Å²	61.7	18%	0.182	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.4	176.7	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.73Å; A159-Q165 HydrophobicContact CB-CG 3.99Å; A159-Q168 HydrophobicContact CB-CB 4.38Å
160	A	98.5	Very high	98.3	Very high	60 Å²	60	65.8 Å²	65.8	50%	0.496	32%	0.323	S	S	.	.	S	Bend	trans	-73.6	-30.8	-176	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.46Å; D146-A160 WeakPolarHBondContact O-CB 3.32Å; Y147-A160 WeakPolarHBondContact O-CB 3.28Å; Y147-A160 PolarHBondContact O-N 3.33Å
161	D	98.4	Very high	98.2	Very high	57 Å²	57	67.7 Å²	67.7	31%	0.305	33%	0.329	S	S	.	.	S	Bend	trans	-151.7	-174.6	-178.3	68.8	28.4	0	0	0	113.6	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.33Å; Y109-D161 PolarHBondContact OH-OD2 3.04Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.87Å; D161-A163 WeakPolarHBondContact OD1-CA 3.27Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 3.21Å; D161-A164 PolarHBondContact O-N 3.38Å; D161-A164 PolarHBondContact OD1-N 3.11Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 2.87Å
162	K	98.3	Very high	98.2	Very high	177 Å²	177	70.1 Å²	70.1	77%	0.77	34%	0.339	S	S	*	.	H	α-helix	trans	-63.8	-30.9	-179.7	-67.7	-177.1	-179.3	177.3	0	113.6
163	A	98.1	Very high	98.3	Very high	8 Å²	8	66.7 Å²	66.7	7%	0.066	34%	0.338	C	S	.	.	H	α-helix	trans	-72.6	-43.5	176.3	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.37Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.84Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å; Y147-A163 HydrophobicContact CE2-CB 4.46Å; Y147-A163 PolarHBondContact OH-O 3.2Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.87Å; D161-A163 WeakPolarHBondContact OD1-CA 3.27Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 3.21Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.85Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.4Å; A163-I166 PolarHBondContact O-N 3.26Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60	-34.9	174.1	0	0	0	0	0	113.3	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.46Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.29Å; A159-A164 HydrophobicContact CB-CB 3.73Å; D161-A164 PolarHBondContact O-N 3.38Å; D161-A164 PolarHBondContact OD1-N 3.11Å; A164-I166 PolarHBondContact O-N 2.86Å; A164-T167 WeakPolarHBondContact O-CB 3.48Å; A164-T167 PolarHBondContact O-N 2.93Å; A164-Q168 PolarHBondContact O-N 3.08Å
165	Q	98.8	Very high	98.4	Very high	75 Å²	75	72.7 Å²	72.7	35%	0.35	37%	0.365	S	S	.	.	H	α-helix	trans	-59.6	-27.6	173.4	-73.8	175.1	6.1	0	0	113.2	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.99Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 2.87Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.85Å; Q165-R169 WeakPolarHBondContact O-CG 3.35Å; Q165-R169 PolarHBondContact O-N 2.91Å; Q165-R169 VanDerWaalsContact O-N 3.13Å
166	I	98.5	Very high	98.4	Very high	58 Å²	58	66.9 Å²	66.9	30%	0.297	35%	0.345	S	S	.	.	H	α-helix	trans	-67.1	-45.2	174	-56.7	170.6	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.09Å; Y108-I166 HydrophobicContact CE1-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.32Å; Y108-I166 HydrophobicContact CE2-CG2 4.18Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.4Å; A163-I166 PolarHBondContact O-N 3.26Å; A164-I166 PolarHBondContact O-N 2.86Å; I166-K170 WeakPolarHBondContact O-CG 3.16Å; I166-K170 PolarHBondContact O-N 3.3Å
167	T	98.5	Very high	98.4	Very high	17 Å²	17	65.4 Å²	65.4	10%	0.104	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-45.1	174.9	-69.8	0	0	0	0	111.3	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.49Å; Y147-T167 PolarHBondContact OH-OG1 2.96Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; A164-T167 WeakPolarHBondContact O-CB 3.48Å; A164-T167 PolarHBondContact O-N 2.93Å; T167-R169 PolarHBondContact O-N 3.29Å; T167-K170 WeakPolarHBondContact O-CB 3.41Å; T167-K170 PolarHBondContact O-N 3.3Å; T167-K170 VanDerWaalsContact O-N 3.11Å; T167-W171 HydrophobicContact CG2-CD2 3.66Å; T167-W171 VanDerWaalsContact CG2-CE2 3.49Å; T167-W171 HydrophobicContact CG2-CE3 4.11Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.21Å; T167-W171 HydrophobicContact CG2-CZ2 3.81Å; T167-W171 HydrophobicContact CG2-CZ3 4.35Å; T167-W171 WeakPolarHBondContact O-CB 3.3Å; T167-W171 PolarHBondContact O-N 3.07Å
168	Q	98.7	Very high	98.4	Very high	41 Å²	41	70.2 Å²	70.2	19%	0.192	36%	0.359	C	S	.	.	H	α-helix	trans	-51.8	-53.5	177.7	176.8	174.8	15.4	0	0	111.5	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.91Å; W157-Q168 HydrophobicContact CB-CG 4.21Å; W157-Q168 PolarHBondContact O-NE2 2.94Å; A159-Q168 HydrophobicContact CB-CB 4.38Å; A164-Q168 PolarHBondContact O-N 3.08Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.82Å; Q168-W171 PolarHBondContact O-N 2.92Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; Q168-E172 HydrophobicContact CG-CG 4.31Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.32Å; Q168-E172 PolarHBondContact NE2-OE1 3.21Å; Q168-E172 WeakPolarHBondContact O-CB 3.21Å; Q168-E172 WeakPolarHBondContact O-CG 3.41Å; Q168-E172 PolarHBondContact O-N 2.91Å
169	R	98.7	Very high	98.3	Very high	154 Å²	154	72.3 Å²	72.3	58%	0.581	36%	0.363	S	S	*	.	H	α-helix	trans	-59.6	-39.2	179.7	-68.2	171.1	-165.8	152.3	8.1	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.35Å; Q165-R169 PolarHBondContact O-N 2.91Å; Q165-R169 VanDerWaalsContact O-N 3.13Å; T167-R169 PolarHBondContact O-N 3.29Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.21Å; R169-A173 PolarHBondContact O-N 2.89Å
170	K	98.3	Very high	98.3	Very high	116 Å²	116	74.4 Å²	74.4	50%	0.504	37%	0.366	S	S	.	.	H	α-helix	trans	-65.1	-43.6	176.9	-72.9	177.9	176.4	-175.1	0	111.4	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 2.86Å; I166-K170 WeakPolarHBondContact O-CG 3.16Å; I166-K170 PolarHBondContact O-N 3.3Å; T167-K170 WeakPolarHBondContact O-CB 3.41Å; T167-K170 PolarHBondContact O-N 3.3Å; T167-K170 VanDerWaalsContact O-N 3.11Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.82Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 3.3Å
171	W	98.4	Very high	98.2	Very high	54 Å²	54	75 Å²	75	21%	0.205	36%	0.356	C	S	.	.	H	α-helix	trans	-72.5	-36	-178.7	-75.7	6.7	0	0	0	112.9	F140 I148 W157 T167 Q168 A174 R175 E176	F140-W171 AromaticContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CZ3 4.26Å; F140-W171 AromaticContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CH2 3.42Å; F140-W171 VanDerWaalsContact CE2-CH2 3.42Å; F140-W171 HydrophobicContact CE2-CZ2 4.48Å; F140-W171 AromaticContact CE2-CZ3 3.99Å; F140-W171 HydrophobicContact CE2-CZ3 3.99Å; F140-W171 AromaticContact CZ-CH2 3.8Å; F140-W171 HydrophobicContact CZ-CH2 3.8Å; F140-W171 HydrophobicContact CZ-CZ2 4.48Å; I148-W171 HydrophobicContact CD1-CE3 4.11Å; I148-W171 HydrophobicContact CD1-CZ3 4.31Å; I148-W171 HydrophobicContact CG2-CE3 4.5Å; I148-W171 HydrophobicContact CG2-CH2 4Å; I148-W171 HydrophobicContact CG2-CZ3 3.69Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.46Å; W157-W171 AromaticContact CE2-CE3 3.8Å; W157-W171 AromaticContact CE3-CE3 3.8Å; W157-W171 HydrophobicContact CE3-CE3 3.8Å; W157-W171 AromaticContact CE3-CZ3 3.85Å; W157-W171 HydrophobicContact CE3-CZ3 3.85Å; W157-W171 AromaticContact CH2-CE3 3.4Å; W157-W171 HydrophobicContact CH2-CE3 3.4Å; W157-W171 AromaticContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CH2-CZ3 3.44Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.44Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.1Å; W157-W171 AromaticContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CE3 3.55Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; T167-W171 HydrophobicContact CG2-CD2 3.66Å; T167-W171 VanDerWaalsContact CG2-CE2 3.49Å; T167-W171 HydrophobicContact CG2-CE3 4.11Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.21Å; T167-W171 HydrophobicContact CG2-CZ2 3.81Å; T167-W171 HydrophobicContact CG2-CZ3 4.35Å; T167-W171 WeakPolarHBondContact O-CB 3.3Å; T167-W171 PolarHBondContact O-N 3.07Å; Q168-W171 PolarHBondContact O-N 2.92Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; W171-A174 CarbonylContact O-C 3.6Å; W171-A174 PolarHBondContact O-N 2.81Å; W171-R175 PolarHBondContact O-N 2.63Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.97Å; W171-E176 HydrophobicContact CD2-CG 4.45Å; W171-E176 HydrophobicContact CG-CB 4.11Å; W171-E176 HydrophobicContact CG-CG 3.85Å; W171-E176 PolarHBondContact O-N 2.81Å
172	E	98.5	Very high	98.2	Very high	94 Å²	94	75.4 Å²	75.4	44%	0.439	37%	0.366	S	S	.	.	H	α-helix	trans	-64.3	-46.7	171.7	-73.3	169.5	174.3	0	0	110.9	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.31Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.32Å; Q168-E172 PolarHBondContact NE2-OE1 3.21Å; Q168-E172 WeakPolarHBondContact O-CB 3.21Å; Q168-E172 WeakPolarHBondContact O-CG 3.41Å; Q168-E172 PolarHBondContact O-N 2.91Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.86Å; E172-R175 PolarHBondContact O-N 2.98Å; E172-R175 VanDerWaalsContact O-N 3.07Å
173	A	98.4	Very high	98.2	Very high	86 Å²	86	69.3 Å²	69.3	71%	0.711	34%	0.339	S	S	*	.	H	α-helix	trans	-61.4	-35.9	176	0	0	0	0	0	112.6	R169 R175	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.21Å; R169-A173 PolarHBondContact O-N 2.89Å; A173-R175 VanDerWaalsContact C-N 3.34Å
174	A	98	Very high	98.2	Very high	54 Å²	54	69 Å²	69	45%	0.446	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.3	176.8	0	0	0	0	0	114.1	K170 W171 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 3.3Å; W171-A174 CarbonylContact O-C 3.6Å; W171-A174 PolarHBondContact O-N 2.81Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 2.86Å; A174-E176 HydrophobicContact CB-CG 4.14Å; A174-E176 PolarHBondContact O-N 2.9Å
175	R	97.8	Very high	98.2	Very high	160 Å²	160	73.2 Å²	73.2	60%	0.604	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	38	-176.4	-57.4	178	173.9	-150.1	5.6	113.8	W171 E172 A173 A177 E178	W171-R175 PolarHBondContact O-N 2.63Å; E172-R175 PolarHBondContact O-N 2.98Å; E172-R175 VanDerWaalsContact O-N 3.07Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 3.14Å; R175-A177 VanDerWaalsContact O-N 3.17Å; R175-E178 HydrophobicContact CB-CG 4.21Å; R175-E178 WeakPolarHBondContact CD-OE1 3.14Å; R175-E178 IonicContact NH1-OE1 3.56Å; R175-E178 PolarHBondContact NH1-OE1 3.3Å; R175-E178 WeakPolarHBondContact O-CB 3.39Å; R175-E178 PolarHBondContact O-N 3.23Å
176	E	97.7	Very high	98.2	Very high	42 Å²	42	70.8 Å²	70.8	20%	0.196	35%	0.351	C	S	.	.	H	α-helix	trans	-57.7	-33.1	-178.8	-75.4	-75.7	162.4	0	0	112.5	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.18Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.97Å; W171-E176 HydrophobicContact CD2-CG 4.45Å; W171-E176 HydrophobicContact CG-CB 4.11Å; W171-E176 HydrophobicContact CG-CG 3.85Å; W171-E176 PolarHBondContact O-N 2.81Å; A174-E176 HydrophobicContact CB-CG 4.14Å; A174-E176 PolarHBondContact O-N 2.9Å; E176-E178 VanDerWaalsContact C-N 3.27Å; E176-E178 PolarHBondContact O-N 3.01Å; E176-Q179 PolarHBondContact O-N 2.86Å; E176-R180 WeakPolarHBondContact O-CG 3.32Å; E176-R180 PolarHBondContact O-N 2.81Å; E176-R180 IonicContact OE2-NH2 3.53Å
177	A	98.3	Very high	98.1	Very high	9 Å²	9	70.4 Å²	70.4	7%	0.074	35%	0.351	C	S	.	.	H	α-helix	trans	-59.1	-36.8	177.6	0	0	0	0	0	112.4	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 4.02Å; R155-A177 WeakPolarHBondContact O-CB 3.45Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å; R175-A177 PolarHBondContact O-N 3.14Å; R175-A177 VanDerWaalsContact O-N 3.17Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 2.89Å; A177-R180 PolarHBondContact O-N 3.05Å; A177-R181 WeakPolarHBondContact O-CB 3.35Å; A177-R181 PolarHBondContact O-N 2.85Å
178	E	98.1	Very high	98.1	Very high	113 Å²	113	69.6 Å²	69.6	53%	0.528	35%	0.346	S	S	.	.	H	α-helix	trans	-62.9	-42	178.4	-63.6	178.3	-175.2	0	0	111.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.21Å; R175-E178 WeakPolarHBondContact CD-OE1 3.14Å; R175-E178 IonicContact NH1-OE1 3.56Å; R175-E178 PolarHBondContact NH1-OE1 3.3Å; R175-E178 WeakPolarHBondContact O-CB 3.39Å; R175-E178 PolarHBondContact O-N 3.23Å; E176-E178 VanDerWaalsContact C-N 3.27Å; E176-E178 PolarHBondContact O-N 3.01Å; E178-A182 WeakPolarHBondContact O-CB 3.44Å; E178-A182 PolarHBondContact O-N 3.29Å
179	Q	96.9	Very high	98.1	Very high	121 Å²	121	68 Å²	68	57%	0.565	34%	0.339	S	S	*	.	H	α-helix	trans	-68.5	-41.3	177.2	-62.2	-175	9.6	0	0	112	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 2.86Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 2.89Å; Q179-A182 PolarHBondContact O-N 3.11Å; Q179-Y183 PolarHBondContact O-N 3.3Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å
180	R	97.9	Very high	98.1	Very high	67 Å²	67	66.5 Å²	66.5	25%	0.253	34%	0.339	S	S	.	.	H	α-helix	trans	-64.7	-45	177.1	-61.9	-61	162.4	-157.3	-6.5	110.9	L150 W157 E176 A177 A182 Y183 L184	L150-R180 HydrophobicContact CD2-CB 4.02Å; W157-R180 HydrophobicContact CH2-CG 4.28Å; E176-R180 WeakPolarHBondContact O-CG 3.32Å; E176-R180 PolarHBondContact O-N 2.81Å; E176-R180 IonicContact OE2-NH2 3.53Å; A177-R180 PolarHBondContact O-N 3.05Å; R180-A182 PolarHBondContact O-N 3.38Å; R180-Y183 PolarHBondContact O-N 2.85Å; R180-L184 WeakPolarHBondContact O-CB 3.46Å; R180-L184 WeakPolarHBondContact O-CG 3.31Å; R180-L184 PolarHBondContact O-N 3.14Å
181	R	98.3	Very high	98.1	Very high	73 Å²	73	62.9 Å²	62.9	28%	0.275	32%	0.322	S	S	.	.	H	α-helix	trans	-58.8	-47.5	175.6	-175.2	172.6	179.4	-136.9	-14.3	112.1	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.06Å; L154-R181 HydrophobicContact CB-CG 3.84Å; L154-R181 HydrophobicContact CD1-CG 4.2Å; A177-R181 WeakPolarHBondContact O-CB 3.35Å; A177-R181 PolarHBondContact O-N 2.85Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.49Å; R181-L184 PolarHBondContact O-N 3.14Å; R181-L184 VanDerWaalsContact O-N 3.16Å; R181-E185 HydrophobicContact CG-CG 4.1Å; R181-E185 IonicContact CZ-OE1 3.34Å; R181-E185 VanDerWaalsContact CZ-OE1 3.25Å; R181-E185 IonicContact CZ-OE2 2.75Å; R181-E185 VanDerWaalsContact NE-CD 3.33Å; R181-E185 IonicContact NE-OE1 3.44Å; R181-E185 PolarHBondContact NE-OE1 3.13Å; R181-E185 IonicContact NE-OE2 2.72Å; R181-E185 PolarHBondContact NE-OE2 2.9Å; R181-E185 IonicContact NH2-OE1 3.44Å; R181-E185 PolarHBondContact NH2-OE1 3.34Å; R181-E185 IonicContact NH2-OE2 3.34Å; R181-E185 PolarHBondContact NH2-OE2 3.1Å; R181-E185 WeakPolarHBondContact O-CB 3.46Å; R181-E185 PolarHBondContact O-N 2.85Å
182	A	98.4	Very high	98	Very high	64 Å²	64	60.3 Å²	60.3	53%	0.529	31%	0.312	S	S	.	.	H	α-helix	trans	-59.2	-39.9	177.4	0	0	0	0	0	112.7	E178 Q179 R180 G186	E178-A182 WeakPolarHBondContact O-CB 3.44Å; E178-A182 PolarHBondContact O-N 3.29Å; Q179-A182 PolarHBondContact O-N 3.11Å; R180-A182 PolarHBondContact O-N 3.38Å; A182-G186 PolarHBondContact O-N 2.81Å; A182-G186 VanDerWaalsContact O-N 3.13Å
183	Y	98.1	Very high	98	Very high	49 Å²	49	61.7 Å²	61.7	19%	0.192	31%	0.313	C	S	.	.	I	π-helix	trans	-65.9	-46.4	173.6	171.6	-95.7	0	0	0	112.3	Y123 Q179 R180 R181 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.81Å; Y123-Y183 HydrophobicContact CD2-CE1 3.81Å; Y123-Y183 AromaticContact CE2-CE1 3.65Å; Y123-Y183 HydrophobicContact CE2-CE1 3.65Å; Y123-Y183 AromaticContact CE2-CZ 3.89Å; Q179-Y183 PolarHBondContact O-N 3.3Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å; R180-Y183 PolarHBondContact O-N 2.85Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.49Å; Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.69Å; Y183-T187 PolarHBondContact O-N 2.92Å; Y183-T187 VanDerWaalsContact O-N 3.11Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.91Å; Y183-C188 WeakPolarHBondContact O-CB 3.37Å; Y183-C188 PolarHBondContact O-N 3.18Å
184	L	98.4	Very high	97.9	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.016	30%	0.301	C	S	.	.	I	π-helix	trans	-69.1	-42.2	-175.1	-70.4	171.9	0	0	0	112.4	G124 L150 L154 R180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.43Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å; L154-L184 HydrophobicContact CD2-CD1 3.93Å; R180-L184 WeakPolarHBondContact O-CB 3.46Å; R180-L184 WeakPolarHBondContact O-CG 3.31Å; R180-L184 PolarHBondContact O-N 3.14Å; R181-L184 PolarHBondContact O-N 3.14Å; R181-L184 VanDerWaalsContact O-N 3.16Å; L184-V189 WeakPolarHBondContact O-CG2 3.48Å
185	E	97.9	Very high	97.9	Very high	88 Å²	88	60.8 Å²	60.8	41%	0.411	28%	0.28	S	S	.	.	I	π-helix	trans	-77.2	-25.9	178.6	-68.8	-180	165	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.42Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L154-E185 HydrophobicContact CD1-CG 4.24Å; R181-E185 HydrophobicContact CG-CG 4.1Å; R181-E185 IonicContact CZ-OE1 3.34Å; R181-E185 VanDerWaalsContact CZ-OE1 3.25Å; R181-E185 IonicContact CZ-OE2 2.75Å; R181-E185 VanDerWaalsContact NE-CD 3.33Å; R181-E185 IonicContact NE-OE1 3.44Å; R181-E185 PolarHBondContact NE-OE1 3.13Å; R181-E185 IonicContact NE-OE2 2.72Å; R181-E185 PolarHBondContact NE-OE2 2.9Å; R181-E185 IonicContact NH2-OE1 3.44Å; R181-E185 PolarHBondContact NH2-OE1 3.34Å; R181-E185 IonicContact NH2-OE2 3.34Å; R181-E185 PolarHBondContact NH2-OE2 3.1Å; R181-E185 WeakPolarHBondContact O-CB 3.46Å; R181-E185 PolarHBondContact O-N 2.85Å
186	G	97.8	Very high	97.8	Very high	23 Å²	23	53.8 Å²	53.8	24%	0.237	26%	0.255	C	S	.	.	I	π-helix	trans	-107.6	-89.1	-178.3	0	0	0	0	0	112.6	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.81Å; A182-G186 VanDerWaalsContact O-N 3.13Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.01Å; G186-V189 PolarHBondContact O-N 2.84Å; G186-V189 VanDerWaalsContact O-N 3.15Å; G186-E190 WeakPolarHBondContact O-CG 3.27Å; G186-E190 PolarHBondContact O-N 2.82Å
187	T	97.8	Very high	97.7	Very high	50 Å²	50	57.6 Å²	57.6	31%	0.307	27%	0.272	S	S	.	.	I	π-helix	trans	-54.2	-43.3	-170.8	-55.8	0	0	0	0	113.1	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.69Å; Y183-T187 PolarHBondContact O-N 2.92Å; Y183-T187 VanDerWaalsContact O-N 3.11Å; T187-E190 PolarHBondContact O-N 2.9Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 WeakPolarHBondContact O-CB 3.33Å; T187-W191 PolarHBondContact O-N 3.34Å
188	C	98.3	Very high	97.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.282	C	S	.	.	I	π-helix	trans	-61.1	-48.9	-179.4	-170	0	0	0	0	111.5	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.15Å; M29-C188 WeakPolarHBondContact CE-O 3.34Å; M29-C188 WeakPolarHBondContact CE-SG 3.41Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.5Å; C125-C188 PolarHBondContact N-SG 3.4Å; C125-C188 WeakPolarHBondContact SG-CB 3.24Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.95Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.91Å; Y183-C188 WeakPolarHBondContact O-CB 3.37Å; Y183-C188 PolarHBondContact O-N 3.18Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.01Å; C188-E190 PolarHBondContact O-N 2.74Å; C188-W191 PolarHBondContact O-N 2.74Å; C188-L192 WeakPolarHBondContact O-CB 3.26Å; C188-L192 PolarHBondContact O-N 2.84Å
189	V	98.2	Very high	97.5	Very high	8 Å²	8	54.3 Å²	54.3	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-45.8	178	173.8	0	0	0	0	111.2	L127 L133 L184 G186 L192 R193	L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.81Å; L133-V189 HydrophobicContact CB-CG2 4Å; L133-V189 HydrophobicContact CD1-CG2 4.02Å; L184-V189 WeakPolarHBondContact O-CG2 3.48Å; G186-V189 PolarHBondContact O-N 2.84Å; G186-V189 VanDerWaalsContact O-N 3.15Å; V189-L192 PolarHBondContact O-N 2.85Å; V189-R193 WeakPolarHBondContact O-CG 3.47Å; V189-R193 PolarHBondContact O-N 3.48Å
190	E	97.9	Very high	97.3	Very high	122 Å²	122	53.6 Å²	53.6	57%	0.57	25%	0.253	S	S	*	.	H	α-helix	trans	-60.7	-46.6	179.3	-71.8	173.5	175.1	0	0	112.3	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.27Å; G186-E190 PolarHBondContact O-N 2.82Å; T187-E190 PolarHBondContact O-N 2.9Å; C188-E190 PolarHBondContact O-N 2.74Å; E190-R194 PolarHBondContact O-N 3.11Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	97.9	Very high	97	Very high	40 Å²	40	59.7 Å²	59.7	15%	0.152	28%	0.281	C	S	.	.	H	α-helix	trans	-69.3	-41.2	179.5	-82.5	98	0	0	0	112.3	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.06Å; M29-W191 HydrophobicContact SD-CB 4.42Å; Y83-W191 AromaticContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CH2 3.47Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CZ2 4.21Å; Y83-W191 AromaticContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CE2-CE3 4.16Å; Y83-W191 AromaticContact CE2-CH2 3.82Å; Y83-W191 HydrophobicContact CE2-CH2 3.82Å; Y83-W191 HydrophobicContact CE2-CZ2 4.47Å; Y83-W191 AromaticContact CE2-CZ3 3.63Å; Y83-W191 HydrophobicContact CE2-CZ3 3.63Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 WeakPolarHBondContact O-CB 3.33Å; T187-W191 PolarHBondContact O-N 3.34Å; C188-W191 PolarHBondContact O-N 2.74Å; W191-R193 PolarHBondContact O-N 2.9Å; W191-R194 WeakPolarHBondContact O-CB 3.37Å; W191-R194 PolarHBondContact O-N 2.93Å; W191-Y195 HydrophobicContact CB-CE2 4.04Å; W191-Y195 HydrophobicContact CE3-CD1 4.39Å; W191-Y195 AromaticContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE2 4.2Å; W191-Y195 AromaticContact CE3-CZ 3.38Å; W191-Y195 AromaticContact CZ3-CE1 3.88Å; W191-Y195 HydrophobicContact CZ3-CE1 3.88Å; W191-Y195 VanDerWaalsContact O-CD2 3.24Å; W191-Y195 WeakPolarHBondContact O-CD2 3.08Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 2.86Å
192	L	98.1	Very high	96.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-45	176.3	175.4	50	0	0	0	111.1	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.43Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.27Å; M29-L192 HydrophobicContact SD-CB 4.49Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; L127-L192 HydrophobicContact CB-CD2 4.5Å; L127-L192 HydrophobicContact CD1-CB 4.24Å; L127-L192 HydrophobicContact CD1-CD2 3.73Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.18Å; C188-L192 WeakPolarHBondContact O-CB 3.26Å; C188-L192 PolarHBondContact O-N 2.84Å; V189-L192 PolarHBondContact O-N 2.85Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.76Å; L192-Y195 PolarHBondContact O-N 3.17Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.39Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.35Å; L192-L196 PolarHBondContact O-N 3.18Å
193	R	96.8	Very high	96.3	Very high	123 Å²	123	55.6 Å²	55.6	46%	0.464	26%	0.258	S	S	.	.	H	α-helix	trans	-58.9	-43.7	174.1	-71.7	174.9	-176.2	164.6	-0.6	112.5	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.89Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 2.86Å; G131-R193 PolarHBondContact O-NH2 3.34Å; V189-R193 WeakPolarHBondContact O-CG 3.47Å; V189-R193 PolarHBondContact O-N 3.48Å; W191-R193 PolarHBondContact O-N 2.9Å; R193-L196 PolarHBondContact O-N 3.38Å; R193-E197 PolarHBondContact O-N 3.41Å
194	R	97.1	Very high	95.9	Very high	121 Å²	121	57.6 Å²	57.6	46%	0.457	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-44.9	176.5	178.5	179.2	175.2	124.8	-3.3	111.6	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.61Å; E79-R194 IonicContact OE1-NE 3.5Å; E79-R194 PolarHBondContact OE1-NE 3.27Å; E79-R194 IonicContact OE1-NH2 2.67Å; E79-R194 PolarHBondContact OE1-NH2 3.3Å; E79-R194 IonicContact OE2-CZ 3.68Å; E79-R194 IonicContact OE2-NE 3.9Å; E79-R194 IonicContact OE2-NH2 3.79Å; E79-R194 PolarHBondContact OE2-NH2 3.48Å; E190-R194 PolarHBondContact O-N 3.11Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.37Å; W191-R194 PolarHBondContact O-N 2.93Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.76Å; R194-E197 PolarHBondContact O-N 2.8Å; R194-N198 WeakPolarHBondContact O-CB 3.42Å; R194-N198 PolarHBondContact O-N 3.02Å; R194-N198 PolarHBondContact O-OD1 3.32Å
195	Y	97.4	Very high	95.5	Very high	1 Å²	1	61.1 Å²	61.1	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-66.9	-39.4	178.7	-62.4	-32.7	0	0	0	112.5	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.54Å; M29-Y195 VanDerWaalsContact SD-CE2 3.54Å; V52-Y195 HydrophobicContact CG2-CD2 3.93Å; V52-Y195 HydrophobicContact CG2-CG 4.41Å; F57-Y195 AromaticContact CE2-CE2 3.82Å; F57-Y195 HydrophobicContact CE2-CE2 3.82Å; F57-Y195 AromaticContact CE2-CZ 3.92Å; F57-Y195 HydrophobicContact CZ-CD2 4.42Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å; W75-Y195 HydrophobicContact CE3-CD1 4.27Å; W75-Y195 HydrophobicContact CH2-CG 4.14Å; W75-Y195 AromaticContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD2 4.35Å; W75-Y195 HydrophobicContact CZ3-CE1 4.31Å; W75-Y195 AromaticContact CZ3-CG 3.6Å; W75-Y195 HydrophobicContact CZ3-CG 3.6Å; V76-Y195 HydrophobicContact CG2-CE1 4.3Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.25Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.43Å; Y83-Y195 PolarHBondContact OH-OH 3.21Å; W191-Y195 HydrophobicContact CB-CE2 4.04Å; W191-Y195 HydrophobicContact CE3-CD1 4.39Å; W191-Y195 AromaticContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE1 3.51Å; W191-Y195 HydrophobicContact CE3-CE2 4.2Å; W191-Y195 AromaticContact CE3-CZ 3.38Å; W191-Y195 AromaticContact CZ3-CE1 3.88Å; W191-Y195 HydrophobicContact CZ3-CE1 3.88Å; W191-Y195 VanDerWaalsContact O-CD2 3.24Å; W191-Y195 WeakPolarHBondContact O-CD2 3.08Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 2.86Å; L192-Y195 PolarHBondContact O-N 3.17Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.83Å; Y195-N198 PolarHBondContact O-N 3.01Å; Y195-G199 WeakPolarHBondContact O-CA 3.26Å; Y195-G199 PolarHBondContact O-N 3.14Å; Y195-L203 WeakPolarHBondContact O-CD1 3.19Å
196	L	96	Very high	95.2	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-36.8	174.4	-71.7	169.5	0	0	0	112.3	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.35Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.39Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.35Å; L192-L196 PolarHBondContact O-N 3.18Å; R193-L196 PolarHBondContact O-N 3.38Å; L196-K200 WeakPolarHBondContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CB 3.35Å; L196-K200 PolarHBondContact O-N 3.49Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 PolarHBondContact O-NE2 3.07Å; L196-Q204 VanDerWaalsContact O-NE2 3.15Å
197	E	95.8	Very high	95	Very high	121 Å²	121	60.9 Å²	60.9	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-71.9	-48.2	175	-171.4	57.5	-147.2	0	0	111.4	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.41Å; R194-E197 PolarHBondContact O-N 2.8Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.83Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 2.83Å; E197-K200 WeakPolarHBondContact O-CB 2.93Å; E197-K200 PolarHBondContact O-N 3.33Å
198	N	96.4	Very high	94.9	Very high	51 Å²	51	63 Å²	63	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-58.9	-42.7	178.1	-69.6	-6.1	0	0	0	112.2	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.45Å; Q78-N198 VanDerWaalsContact NE2-CB 3.29Å; Q78-N198 PolarHBondContact NE2-ND2 2.84Å; Q78-N198 PolarHBondContact NE2-OD1 2.81Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.1Å; E79-N198 PolarHBondContact OE1-ND2 2.85Å; R194-N198 WeakPolarHBondContact O-CB 3.42Å; R194-N198 PolarHBondContact O-N 3.02Å; R194-N198 PolarHBondContact O-OD1 3.32Å; Y195-N198 PolarHBondContact O-N 3.01Å
199	G	95.4	Very high	94.9	Very high	3 Å²	3	63.4 Å²	63.4	3%	0.031	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	15.2	-176.3	0	0	0	0	0	113.9	Y195 E197 K201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.26Å; Y195-G199 PolarHBondContact O-N 3.14Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 2.83Å; G199-K201 VanDerWaalsContact C-N 3.25Å; G199-K201 PolarHBondContact O-N 2.89Å; G199-T202 CarbonylContact O-C 3.47Å; G199-T202 WeakPolarHBondContact O-CA 3.35Å; G199-T202 PolarHBondContact O-N 2.99Å; G199-L203 PolarHBondContact O-N 3.46Å
200	K	93.4	Very high	94.9	Very high	106 Å²	106	70.6 Å²	70.6	46%	0.461	32%	0.321	S	S	.	.	H	α-helix	trans	-47.7	-43	-170.5	-175.8	170.4	-172.1	168.1	0	114.5	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CB 3.35Å; L196-K200 PolarHBondContact O-N 3.49Å; E197-K200 WeakPolarHBondContact O-CB 2.93Å; E197-K200 PolarHBondContact O-N 3.33Å; K200-T202 PolarHBondContact O-N 3.46Å; K200-Q204 WeakPolarHBondContact O-CB 3.28Å; K200-Q204 PolarHBondContact O-N 2.92Å
201	K	91.3	Very high	94.8	Very high	195 Å²	195	66.4 Å²	66.4	85%	0.848	30%	0.304	S	S	*	.	H	α-helix	trans	-65.9	-24.1	179.6	-66.6	-177	179.5	177.9	0	114.1	G199	G199-K201 VanDerWaalsContact C-N 3.25Å; G199-K201 PolarHBondContact O-N 2.89Å
202	T	90.5	Very high	94.8	Very high	47 Å²	47	68.3 Å²	68.3	29%	0.288	31%	0.314	S	S	.	.	H	α-helix	trans	-106.5	-39.7	-175.5	-54.3	0	0	0	0	112.1	G199 K200 R205	G199-T202 CarbonylContact O-C 3.47Å; G199-T202 WeakPolarHBondContact O-CA 3.35Å; G199-T202 PolarHBondContact O-N 2.99Å; K200-T202 PolarHBondContact O-N 3.46Å; T202-R205 WeakPolarHBondContact O-CD 3.41Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.44Å; T202-R205 PolarHBondContact O-NE 3.16Å; T202-R205 VanDerWaalsContact O-NE 3.16Å
203	L	91.6	Very high	94.8	Very high	4 Å²	4	69.5 Å²	69.5	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-87.4	-32	-174	-63.1	172.7	0	0	0	112.7	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.12Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.09Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.37Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.4Å; Y195-L203 WeakPolarHBondContact O-CD1 3.19Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 PolarHBondContact O-N 3.46Å
204	Q	89.3	Confident	94.7	Very high	91 Å²	91	65.2 Å²	65.2	43%	0.425	31%	0.309	S	S	.	.	S	Bend	trans	-102.1	27.4	178.3	-57.2	176.6	28.9	0	0	111.7	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.07Å; L196-Q204 VanDerWaalsContact O-NE2 3.15Å; K200-Q204 WeakPolarHBondContact O-CB 3.28Å; K200-Q204 PolarHBondContact O-N 2.92Å
205	R	90.4	Very high	94.7	Very high	76 Å²	76	62.1 Å²	62.1	29%	0.287	30%	0.3	S	S	.	.			trans	-96.6	148.3	170	79	-170.6	167.6	178.9	2.6	108.5	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.41Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.44Å; T202-R205 PolarHBondContact O-NE 3.16Å; T202-R205 VanDerWaalsContact O-NE 3.16Å; R205-E207 WeakPolarHBondContact CD-OE1 3.43Å; R205-E207 HydrophobicContact CG-CG 4.44Å; R205-E207 IonicContact CZ-OE1 3Å; R205-E207 IonicContact NE-OE1 3.72Å; R205-E207 PolarHBondContact NE-OE1 3.31Å; R205-E207 IonicContact NH1-OE1 2.63Å; R205-E207 PolarHBondContact NH1-OE1 2.81Å; R205-E207 IonicContact NH2-OE1 3.1Å; R205-Y233 HydrophobicContact CG-CD1 4.02Å; R205-Y233 HydrophobicContact CG-CE1 4.44Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.41Å
206	A	92	Very high	94.5	Very high	39 Å²	39	66 Å²	66	32%	0.322	32%	0.317	S	S	.	.			trans	-120.3	120.4	163.5	0	0	0	0	0	108.1	Y233	A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 WeakPolarHBondContact CA-O 3.47Å
207	E	94.2	Very high	94.4	Very high	67 Å²	67	70.1 Å²	70.1	31%	0.313	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-99.6	118.4	175.2	-66.6	-172.8	-151.8	0	0	108.2	R205 F232 Y233 H287	R205-E207 WeakPolarHBondContact CD-OE1 3.43Å; R205-E207 HydrophobicContact CG-CG 4.44Å; R205-E207 IonicContact CZ-OE1 3Å; R205-E207 IonicContact NE-OE1 3.72Å; R205-E207 PolarHBondContact NE-OE1 3.31Å; R205-E207 IonicContact NH1-OE1 2.63Å; R205-E207 PolarHBondContact NH1-OE1 2.81Å; R205-E207 IonicContact NH2-OE1 3.1Å; E207-F232 WeakPolarHBondContact O-CA 3.28Å; E207-F232 WeakPolarHBondContact O-CB 3.49Å; E207-Y233 PolarHBondContact N-O 3.07Å; E207-Y233 PolarHBondContact O-N 3.14Å; E207-Y233 VanDerWaalsContact O-N 3.07Å; E207-H287 PolarHBondContact O-CE1 3.32Å
208	H	95.2	Very high	94.2	Very high	95 Å²	95	68.8 Å²	68.8	44%	0.44	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-68.8	145.5	-177.6	-54.3	-105.6	0	0	0	111.6	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.9Å; H208-G289 PolarHBondContact CE1-O 3.34Å; H208-G289 PolarHBondContact ND1-O 2.96Å; H208-L290 HydrophobicContact CB-CD2 4.13Å; H208-L290 WeakPolarHBondContact ND1-CA 3.46Å; H208-L290 PolarHBondContact ND1-N 3.11Å
209	P	97.5	Very high	94	Very high	9 Å²	9	68.9 Å²	68.9	6%	0.058	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-67.7	130.3	176.4	28.4	-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 4.1Å; P209-T211 PolarHBondContact O-N 3.25Å; P209-A229 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; P209-V285 HydrophobicContact CG-CG1 3.94Å; P209-H287 HydrophobicContact CG-CB 3.98Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.23Å
210	K	97.7	Very high	93.7	Very high	158 Å²	158	76 Å²	76	69%	0.687	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	110.7	163.5	-65.3	171.5	-173	165.1	0	107.8	H208 L230	H208-K210 PolarHBondContact O-N 2.9Å; K210-L230 PolarHBondContact N-O 2.67Å; K210-L230 PolarHBondContact O-N 2.72Å
211	T	97.6	Very high	93.6	Very high	35 Å²	35	77.8 Å²	77.8	22%	0.215	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	145.4	-172	58.6	0	0	0	0	113	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.88Å; P209-T211 HydrophobicContact CG-CG2 4.1Å; P209-T211 PolarHBondContact O-N 3.25Å; T211-W228 WeakPolarHBondContact CA-O 3.44Å; T211-W228 WeakPolarHBondContact CB-O 3.48Å; T211-A229 HydrophobicContact CG2-CB 4.26Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.15Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; T211-L294 HydrophobicContact CG2-CD1 4.35Å; T211-L296 VanDerWaalsContact CB-CD1 3.46Å; T211-L296 HydrophobicContact CG2-CD1 4.18Å
212	H	96.4	Very high	93.8	Very high	80 Å²	80	73 Å²	73	37%	0.37	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	158.8	172.8	62.7	-75.1	0	0	0	110.4	W228	H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.41Å; H212-W228 AromaticContact CE1-CD1 3.94Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 2.93Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 2.72Å
213	V	97.9	Very high	94	Very high	25 Å²	25	70.8 Å²	70.8	15%	0.152	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.9	176	-177.9	0	0	0	0	109.2	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; V213-R226 WeakPolarHBondContact CA-O 3.47Å; V213-C227 HydrophobicContact CG2-CB 4.43Å; V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.3Å; V213-L296 HydrophobicContact CG2-CB 3.86Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214	T	96.4	Very high	94.3	Very high	33 Å²	33	71.8 Å²	71.8	20%	0.202	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	149.1	174.6	54.2	0	0	0	0	110.1	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.47Å; T214-L225 WeakPolarHBondContact O-CA 3.36Å; T214-R226 PolarHBondContact N-O 2.74Å; T214-R226 PolarHBondContact O-N 3.08Å; T214-R226 WeakPolarHBondContact OG1-CB 3.18Å; T214-R226 PolarHBondContact OG1-O 3.15Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; T214-W228 PolarHBondContact OG1-NE1 3.4Å
215	H	95.4	Very high	94.7	Very high	56 Å²	56	67.4 Å²	67.4	26%	0.259	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.9	-178.8	168	-89.5	0	0	0	109.6	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.24Å; H215-T224 WeakPolarHBondContact CA-O 3.44Å; H215-L225 HydrophobicContact CB-CD2 3.96Å; H215-E278 IonicContact NE2-OE1 3.14Å; H215-W298 HydrophobicContact CB-CD2 4.2Å; H215-W298 VanDerWaalsContact CB-CE2 3.48Å; H215-W298 HydrophobicContact CB-CG 4.2Å; H215-W298 HydrophobicContact CB-CZ2 3.94Å; H215-W298 AromaticContact CD2-CE2 3.81Å; H215-W298 AromaticContact CD2-CH2 3.97Å; H215-W298 AromaticContact CD2-CZ2 3.68Å; H215-W298 AromaticContact CG-CE2 3.61Å; H215-W298 AromaticContact CG-CZ2 3.56Å; H215-W298 AromaticContact CG-NE1 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.79Å; H215-W298 AromaticContact NE2-CH2 3.98Å; H215-W298 AromaticContact NE2-CZ2 3.98Å
216	H	94.1	Very high	95.1	Very high	82 Å²	82	66.2 Å²	66.2	38%	0.38	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	105.8	-178.9	-58.3	83.5	0	0	0	108.5	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.47Å; H216-V218 PolarHBondContact O-N 2.84Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 WeakPolarHBondContact O-CA 3.43Å; H216-T224 PolarHBondContact N-O 3.31Å; H216-T224 PolarHBondContact O-N 3.35Å; H216-R226 PolarHBondContact CE1-NH1 3.44Å
217	P	93.4	Very high	95.4	Very high	99 Å²	99	64.4 Å²	64.4	64%	0.643	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	130.8	172.4	-19.3	30	0	0	0	110.3
218	V	91.7	Very high	95.6	Very high	94 Å²	94	63.6 Å²	63.6	57%	0.57	32%	0.324	S	S	*	.			trans	-103.1	-40.9	175.7	-179.1	0	0	0	0	109.9	H216 E222 T224	H216-V218 PolarHBondContact O-N 2.84Å; V218-E222 PolarHBondContact N-O 2.85Å; V218-T224 VanDerWaalsContact CG2-OG1 3.32Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.39Å
219	S	92.3	Very high	95.7	Very high	52 Å²	52	59 Å²	59	36%	0.364	30%	0.303	S	S	.	.	S	Bend	trans	-148.2	-178	174.7	71.6	0	0	0	0	110.5	H221 E222	S219-H221 PolarHBondContact O-N 2.87Å; S219-H221 PolarHBondContact OG-N 2.96Å; S219-E222 PolarHBondContact N-O 2.93Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.06Å
220	D	89.4	Confident	95.7	Very high	152 Å²	152	61.2 Å²	61.2	81%	0.813	31%	0.314	S	S	*	.	S	Bend	trans	-66.6	-10.3	172.9	-65.5	-22.3	0	0	0	113.4
221	H	92.2	Very high	95.7	Very high	144 Å²	144	54.6 Å²	54.6	67%	0.667	29%	0.29	S	S	*	.	S	Bend	trans	-115.8	-15.8	-176.3	-56.7	-43.3	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.87Å; S219-H221 PolarHBondContact OG-N 2.96Å; H221-P274 CarbonylContact O-C 3.57Å; H221-P274 WeakPolarHBondContact O-CA 3.36Å; H221-S275 PolarHBondContact O-N 2.94Å; H221-S275 PolarHBondContact O-OG 3.35Å
222	E	94.9	Very high	95.7	Very high	95 Å²	95	53 Å²	53	44%	0.444	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	144	-171.3	-66.5	-179.3	169.8	0	0	112.2	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.85Å; S219-E222 PolarHBondContact N-O 2.93Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.06Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; E222-V273 WeakPolarHBondContact CA-O 3.47Å; E222-S275 PolarHBondContact N-OG 2.87Å
223	A	95.2	Very high	95.7	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155	171.3	0	0	0	0	0	110.8	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.24Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 WeakPolarHBondContact O-CA 3.43Å; A223-V273 HydrophobicContact CB-CG2 4.43Å; A223-V273 PolarHBondContact N-O 2.98Å; A223-V273 WeakPolarHBondContact O-CG2 3.43Å; A223-V273 PolarHBondContact O-N 3.05Å
224	T	97.1	Very high	95.5	Very high	24 Å²	24	48.8 Å²	48.8	15%	0.147	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.5	170.3	-53.8	0	0	0	0	109.7	H215 H216 V218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.44Å; H216-T224 PolarHBondContact N-O 3.31Å; H216-T224 PolarHBondContact O-N 3.35Å; V218-T224 VanDerWaalsContact CG2-OG1 3.32Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.39Å; T224-A270 HydrophobicContact CG2-CB 3.91Å; T224-V271 WeakPolarHBondContact CA-O 3.15Å
225	L	97.7	Very high	95.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.4	165.6	-63.5	-175.9	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; T214-L225 WeakPolarHBondContact O-CA 3.36Å; H215-L225 HydrophobicContact CB-CD2 3.96Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CD1-CH2 4.07Å; L225-W241 HydrophobicContact CD1-CZ3 4.25Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.4Å; L225-V271 HydrophobicContact CB-CG1 4.27Å; L225-V271 PolarHBondContact N-O 3.24Å; L225-V271 PolarHBondContact O-N 3.21Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD1-CG 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; L225-W298 HydrophobicContact CD1-CB 4.32Å; L225-W298 HydrophobicContact CD2-CB 3.79Å; L225-W298 HydrophobicContact CD2-CD2 4.22Å; L225-W298 HydrophobicContact CD2-CG 3.83Å
226	R	98.1	Very high	95.5	Very high	51 Å²	51	52.2 Å²	52.2	19%	0.192	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.8	176.5	-179.1	-177.7	-62	116.7	2.9	110.5	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.47Å; T214-R226 PolarHBondContact N-O 2.74Å; T214-R226 PolarHBondContact O-N 3.08Å; T214-R226 WeakPolarHBondContact OG1-CB 3.18Å; T214-R226 PolarHBondContact OG1-O 3.15Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; H216-R226 PolarHBondContact CE1-NH1 3.44Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; R226-W268 HydrophobicContact CG-CB 4Å; 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 3.42Å; R226-A270 HydrophobicContact CB-CB 3.99Å; R226-A270 HydrophobicContact CG-CB 4.12Å
227	C	98.2	Very high	95.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.3	175.7	-173.4	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.43Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.38Å; C227-W268 WeakPolarHBondContact O-CB 3.36Å; C227-A269 PolarHBondContact N-O 3.03Å; C227-A269 PolarHBondContact O-N 3.3Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.31Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.44Å
228	W	98.3	Very high	95.8	Very high	50 Å²	50	46.9 Å²	46.9	19%	0.189	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.7	-179.8	-69.6	89.7	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.44Å; T211-W228 WeakPolarHBondContact CB-O 3.48Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.41Å; H212-W228 AromaticContact CE1-CD1 3.94Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 2.93Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 2.72Å; T214-W228 PolarHBondContact OG1-NE1 3.4Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å
229	A	98.4	Very high	96.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.3	162.1	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.85Å; T211-A229 HydrophobicContact CG2-CB 4.26Å; A229-F232 HydrophobicContact CB-CD1 4.03Å; A229-F232 HydrophobicContact CB-CE1 3.78Å; A229-F232 WeakPolarHBondContact O-CE1 3.46Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.27Å; A229-K267 PolarHBondContact N-O 3.23Å; A229-K267 PolarHBondContact O-N 2.77Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.2	Very high	96.3	Very high	55 Å²	55	42.2 Å²	42.2	29%	0.288	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.7	-175	-58.5	176.9	0	0	0	111	K210 W228 Q266	K210-L230 PolarHBondContact N-O 2.67Å; K210-L230 PolarHBondContact O-N 2.72Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å
231	G	97.2	Very high	96.7	Very high	19 Å²	19	35 Å²	35	20%	0.196	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.7	35.1	168.5	0	0	0	0	0	113.7	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.44Å; G231-F265 PolarHBondContact N-O 2.88Å
232	F	97.1	Very high	97	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	155.5	179.2	59.1	-90.3	0	0	0	112.4	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.28Å; E207-F232 WeakPolarHBondContact O-CB 3.49Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.03Å; A229-F232 HydrophobicContact CB-CE1 3.78Å; A229-F232 WeakPolarHBondContact O-CE1 3.46Å; F232-P234 WeakPolarHBondContact CD2-O 3.45Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.89Å; F232-I237 HydrophobicContact CE2-CG1 4.4Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.82Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.93Å; F232-T264 CarbonylContact O-C 3.51Å; F232-T264 WeakPolarHBondContact O-CA 3.18Å; F232-F265 WeakPolarHBondContact CD1-O 3.46Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.31Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.42Å; F232-F265 PolarHBondContact O-N 2.76Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.68Å; F232-H287 AromaticContact CD2-NE2 3.64Å
233	Y	95.7	Very high	97.1	Very high	3 Å²	3	29 Å²	29	1%	0.012	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-151.3	135.5	173.7	178.4	-83.5	0	0	0	108.8	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.12Å; T55-Y233 PolarHBondContact OG1-OH 3.35Å; T55-Y233 VanDerWaalsContact OG1-OH 3.07Å; R205-Y233 HydrophobicContact CG-CD1 4.02Å; R205-Y233 HydrophobicContact CG-CE1 4.44Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.41Å; A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 WeakPolarHBondContact CA-O 3.47Å; E207-Y233 PolarHBondContact N-O 3.07Å; E207-Y233 PolarHBondContact O-N 3.14Å; E207-Y233 VanDerWaalsContact O-N 3.07Å; Y233-G263 WeakPolarHBondContact CD2-O 3.28Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 AromaticContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CE2-CE2 4.43Å; Y233-H287 PolarHBondContact O-CE1 2.74Å
234	P	95.1	Very high	97	Very high	15 Å²	15	33.8 Å²	33.8	10%	0.097	17%	0.173	C	C	.	.	S	Bend	cis	-72.4	179.4	3.2	31	-36.7	0	0	0	113.4	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.29Å; D54-P234 WeakPolarHBondContact OD2-CB 3.42Å; F232-P234 WeakPolarHBondContact CD2-O 3.45Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 2.87Å; P234-H287 PolarHBondContact O-NE2 3.43Å; P234-E288 HydrophobicContact CG-CB 4.17Å; P234-E288 WeakPolarHBondContact CG-OE2 3.45Å
235	A	96.1	Very high	96.8	Very high	15 Å²	15	35 Å²	35	12%	0.124	19%	0.19	C	C	.	.	S	Bend	trans	-69.8	-25.7	-175.9	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.4Å; D54-A235 PolarHBondContact OD2-N 3.37Å; A235-I237 PolarHBondContact O-N 3.37Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; A235-T257 WeakPolarHBondContact O-CG2 3.03Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.7Å
236	E	95.4	Very high	96.6	Very high	146 Å²	146	41.9 Å²	41.9	68%	0.682	22%	0.223	S	C	*	.			trans	-64.8	117.2	-179.9	-170.6	57.8	-143.1	0	0	110.2	P234 H287	P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 2.87Å; E236-H287 PolarHBondContact O-CD2 2.76Å
237	I	96.3	Very high	96.5	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.051	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	141.2	-177.9	-166.1	167.4	0	0	0	109.7	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.96Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.89Å; F232-I237 HydrophobicContact CE2-CG1 4.4Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.82Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; A235-I237 PolarHBondContact O-N 3.37Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.59Å; I237-L239 HydrophobicContact CG2-CD1 4.16Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; I237-Q286 WeakPolarHBondContact CG1-O 3.42Å; I237-H287 HydrophobicContact CD1-CB 4.06Å; I237-H287 HydrophobicContact CG1-CB 3.93Å
238	T	97.1	Very high	96.3	Very high	58 Å²	58	45.3 Å²	45.3	36%	0.356	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.5	174.1	-63.1	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.02Å; T238-V285 WeakPolarHBondContact O-CA 3.38Å; T238-Q286 PolarHBondContact N-O 2.92Å; T238-Q286 PolarHBondContact O-N 2.91Å
239	L	97.7	Very high	95.9	Very high	8 Å²	8	48 Å²	48	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.8	172.6	-87.3	62.9	0	0	0	108.6	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.59Å; I237-L239 HydrophobicContact CG2-CD1 4.16Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; L239-H284 WeakPolarHBondContact CA-O 3.25Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CG-CG2 4.33Å
240	T	97.4	Very high	95.4	Very high	40 Å²	40	57.3 Å²	57.3	25%	0.245	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.8	176.2	57.8	0	0	0	0	111.4	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.02Å; T240-C283 CarbonylContact O-C 3.53Å; T240-C283 WeakPolarHBondContact O-CA 3.49Å; T240-H284 PolarHBondContact N-O 3.41Å; T240-H284 PolarHBondContact O-N 3Å
241	W	98	Very high	94.8	Very high	2 Å²	2	60 Å²	60	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137.1	168.6	-82.7	105.9	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.3Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CD1-CH2 4.07Å; L225-W241 HydrophobicContact CD1-CZ3 4.25Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.25Å; W241-Q248 PolarHBondContact O-N 2.84Å; W241-A269 PolarHBondContact NE1-O 2.93Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CB 4.48Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4.02Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.33Å; W241-T282 WeakPolarHBondContact CA-O 3.14Å; W241-T282 VanDerWaalsContact CE3-C 3.4Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.05Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; W241-C283 HydrophobicContact CZ3-CB 3.96Å
242	Q	97.6	Very high	94.7	Very high	42 Å²	42	60.3 Å²	60.3	20%	0.196	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.1	171.8	-70.8	-175	-4.8	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.29Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.31Å; Q242-D247 PolarHBondContact NE2-OD1 3.44Å; Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; Q242-T282 PolarHBondContact N-O 3.32Å; Q242-T282 PolarHBondContact O-N 3.06Å; Q242-H284 PolarHBondContact OE1-NE2 3.17Å
243	R	96.9	Very high	94.6	Very high	71 Å²	71	65.8 Å²	65.8	27%	0.268	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.2	168.5	-176	-172.8	-175.8	179.7	-0.1	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.2Å; R243-E246 PolarHBondContact N-O 2.83Å; R243-E246 PolarHBondContact O-N 3.29Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; R243-E277 IonicContact CZ-OE2 3.52Å; R243-E277 IonicContact NE-OE2 3.72Å; R243-E277 IonicContact NH2-OE1 3.74Å; R243-E277 IonicContact NH2-OE2 2.67Å; R243-E277 PolarHBondContact NH2-OE2 3.03Å; R243-R280 WeakPolarHBondContact CA-O 3.37Å; R243-R280 HydrophobicContact CG-CB 4.38Å; R243-Y281 HydrophobicContact CB-CD1 4.14Å; R243-Y281 HydrophobicContact CB-CE1 3.93Å; R243-Y281 WeakPolarHBondContact CD-OH 3.33Å; R243-Y281 HydrophobicContact CG-CD1 4.5Å; R243-Y281 HydrophobicContact CG-CD2 4.5Å; R243-Y281 HydrophobicContact CG-CE1 4.12Å; R243-Y281 HydrophobicContact CG-CE2 4.1Å
244	D	94.4	Very high	94.7	Very high	100 Å²	100	70 Å²	70	54%	0.535	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	30	-175.6	-54.6	-49.4	0	0	0	114.3	R280	D244-R280 PolarHBondContact N-O 3.48Å; D244-R280 IonicContact OD1-NE 3.5Å; D244-R280 PolarHBondContact OD1-NE 2.87Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.78Å; D244-R280 PolarHBondContact OD2-NE 2.83Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 2.81Å
245	G	91	Very high	94.7	Very high	50 Å²	50	70.7 Å²	70.7	52%	0.515	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-1.4	-177.9	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.2Å
246	E	95.3	Very high	94.8	Very high	145 Å²	145	78.1 Å²	78.1	68%	0.678	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.4	176	-63.1	-173.3	169.9	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.29Å; R243-E246 PolarHBondContact N-O 2.83Å; R243-E246 PolarHBondContact O-N 3.29Å; E246-Q248 PolarHBondContact O-NE2 3.31Å
247	D	95.1	Very high	94.9	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	-62.1	134.2	-179.6	-70.3	-25.2	0	0	0	112.4	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.31Å; Q242-D247 PolarHBondContact NE2-OD1 3.44Å
248	Q	94.8	Very high	94.9	Very high	26 Å²	26	77.2 Å²	77.2	12%	0.121	40%	0.401	C	S	.	.			trans	-104.9	36.9	-177.4	-57.6	-61	-68.9	0	0	112.1	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.25Å; W241-Q248 PolarHBondContact O-N 2.84Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; E246-Q248 PolarHBondContact O-NE2 3.31Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.5Å; Q248-D251 PolarHBondContact O-N 3.34Å; Q248-T252 WeakPolarHBondContact O-CB 3.37Å; Q248-T252 PolarHBondContact O-N 3.16Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.25Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å
249	T	88.4	Confident	94.9	Very high	107 Å²	107	79 Å²	79	66%	0.656	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.7	-168.8	-47	0	0	0	0	113.9
250	Q	88.1	Confident	94.8	Very high	194 Å²	194	81 Å²	81	91%	0.907	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-31.4	-178.6	-66.3	-174.4	4.9	0	0	113	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.5Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	86.3	Confident	94.6	Very high	113 Å²	113	82.8 Å²	82.8	60%	0.604	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	1.7	-178	-56.6	-52.6	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 3.34Å
252	T	94	Very high	94.3	Very high	24 Å²	24	88.1 Å²	88.1	15%	0.147	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	120.5	-179.8	-63.7	0	0	0	0	110.8	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.37Å; Q248-T252 PolarHBondContact O-N 3.16Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.25Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.89Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.21Å
253	E	96.5	Very high	94	Very high	116 Å²	116	88 Å²	88	54%	0.542	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	105.8	163.3	-173.7	-173.9	-171.4	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.41Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.41Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.45Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 2.69Å; E253-A270 PolarHBondContact O-N 2.86Å
254	L	96.5	Very high	94	Very high	90 Å²	90	85 Å²	85	47%	0.471	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.8	177.9	-173.7	68.3	0	0	0	110	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.89Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
255	V	96.6	Very high	94.2	Very high	31 Å²	31	81.5 Å²	81.5	19%	0.188	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-83.4	153.2	174.4	-64.7	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.21Å; V255-K267 PolarHBondContact O-NZ 3.4Å; 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 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.37Å; V255-W268 WeakPolarHBondContact CG2-O 3.39Å; V255-W268 PolarHBondContact N-O 3.05Å
256	E	96.6	Very high	94.5	Very high	170 Å²	170	81.3 Å²	81.3	79%	0.794	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-57.6	148.5	167.9	-68	-176.3	174.5	0	0	111.3	R258	E256-R258 PolarHBondContact O-N 3.15Å
257	T	97.7	Very high	94.7	Very high	46 Å²	46	75.4 Å²	75.4	28%	0.282	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-68.1	129.8	174.2	-56.5	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.93Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; A235-T257 WeakPolarHBondContact O-CG2 3.03Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.46Å; T257-K267 PolarHBondContact OG1-NZ 3.15Å
258	R	97.3	Very high	94.8	Very high	92 Å²	92	72 Å²	72	35%	0.347	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	145	-174.6	68.6	-166	-179.3	-166.5	2.1	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.15Å; R258-F265 WeakPolarHBondContact O-CA 3.24Å; R258-Q266 HydrophobicContact CG-CG 3.6Å; R258-Q266 PolarHBondContact N-O 2.04Å; R258-Q266 WeakPolarHBondContact O-CG 3.43Å; R258-Q266 PolarHBondContact O-N 3.38Å
259	P	97	Very high	95	Very high	94 Å²	94	70.8 Å²	70.8	61%	0.61	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	144.5	177.7	28.3	-34.3	0	0	0	111	F265	P259-F265 HydrophobicContact CB-CE1 4.33Å
260	A	96.3	Very high	95.4	Very high	50 Å²	50	65.8 Å²	65.8	41%	0.413	37%	0.368	S	S	.	.			trans	-88.3	-16.9	173.1	0	0	0	0	0	112.9	T264	A260-T264 WeakPolarHBondContact CB-O 3.04Å; A260-T264 PolarHBondContact N-O 3.49Å
261	G	92.6	Very high	95.9	Very high	78 Å²	78	56.7 Å²	56.7	80%	0.804	33%	0.326	S	S	*	.	S	Bend	trans	96.5	-8.5	179.1	0	0	0	0	0	114.9
262	D	92.3	Very high	96.4	Very high	114 Å²	114	54.9 Å²	54.9	61%	0.61	32%	0.318	S	S	*	.	S	Bend	trans	-103.7	11.3	176.3	61.1	0.2	0	0	0	113.1	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.35Å; D262-T264 PolarHBondContact OD1-N 3.42Å; D262-T264 PolarHBondContact OD1-OG1 2.93Å
263	G	91.1	Very high	96.5	Very high	41 Å²	41	53.8 Å²	53.8	42%	0.423	31%	0.312	S	S	.	.	S	Bend	trans	87.9	2.9	-173.8	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.28Å
264	T	96.3	Very high	96.5	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.049	30%	0.3	C	S	.	.			trans	-106.8	173.5	172.2	73.9	0	0	0	0	112.1	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.44Å; F232-T264 CarbonylContact O-C 3.51Å; F232-T264 WeakPolarHBondContact O-CA 3.18Å; A260-T264 WeakPolarHBondContact CB-O 3.04Å; A260-T264 PolarHBondContact N-O 3.49Å; D262-T264 WeakPolarHBondContact OD1-CB 3.35Å; D262-T264 PolarHBondContact OD1-N 3.42Å; D262-T264 PolarHBondContact OD1-OG1 2.93Å
265	F	98	Very high	96.2	Very high	26 Å²	26	48.8 Å²	48.8	11%	0.114	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	162.6	-177.4	-63.4	-85.5	0	0	0	112.3	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.66Å; G231-F265 PolarHBondContact N-O 2.88Å; F232-F265 WeakPolarHBondContact CD1-O 3.46Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.31Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.42Å; F232-F265 PolarHBondContact O-N 2.76Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 AromaticContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CE2-CE2 4.43Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.7Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.24Å; P259-F265 HydrophobicContact CB-CE1 4.33Å
266	Q	98.2	Very high	95.9	Very high	46 Å²	46	50.5 Å²	50.5	22%	0.215	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.5	174	41.3	165	-19.3	0	0	110	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.27Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å; R258-Q266 HydrophobicContact CG-CG 3.6Å; R258-Q266 PolarHBondContact N-O 2.04Å; R258-Q266 WeakPolarHBondContact O-CG 3.43Å; R258-Q266 PolarHBondContact O-N 3.38Å
267	K	98.5	Very high	95.8	Very high	21 Å²	21	45 Å²	45	9%	0.091	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	154.8	177	-162.9	-176.2	-172.2	69.6	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.23Å; A229-K267 PolarHBondContact O-N 2.77Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.21Å; V255-K267 PolarHBondContact O-NZ 3.4Å; T257-K267 WeakPolarHBondContact OG1-CD 3.46Å; T257-K267 PolarHBondContact OG1-NZ 3.15Å
268	W	98.3	Very high	95.6	Very high	25 Å²	25	43.7 Å²	43.7	10%	0.095	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.5	169.1	58.7	-97.9	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; 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 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.38Å; C227-W268 WeakPolarHBondContact O-CB 3.36Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å; E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.41Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.41Å; 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 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.37Å; V255-W268 WeakPolarHBondContact CG2-O 3.39Å; V255-W268 PolarHBondContact N-O 3.05Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
269	A	98.2	Very high	95.5	Very high	0 Å²	0	44 Å²	44	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.3	173.8	0	0	0	0	0	108.4	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.42Å; C227-A269 PolarHBondContact N-O 3.03Å; C227-A269 PolarHBondContact O-N 3.3Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; W241-A269 PolarHBondContact NE1-O 2.93Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.45Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
270	A	97.8	Very high	95.5	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.025	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.1	179.4	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.91Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.4Å; R226-A270 HydrophobicContact CB-CB 3.99Å; R226-A270 HydrophobicContact CG-CB 4.12Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.21Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 2.69Å; E253-A270 PolarHBondContact O-N 2.86Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
271	V	97.6	Very high	95.5	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.5	176	63.4	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.15Å; L225-V271 HydrophobicContact CB-CG1 4.27Å; L225-V271 PolarHBondContact N-O 3.24Å; L225-V271 PolarHBondContact O-N 3.21Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CB 4.48Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4.02Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.33Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.06Å
272	V	97	Very high	95.7	Very high	75 Å²	75	39 Å²	39	46%	0.455	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	129.3	171.6	-178.7	0	0	0	0	108	E222	E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.32Å
273	V	96.1	Very high	96	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145	-175.5	-52.6	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.47Å; A223-V273 HydrophobicContact CB-CG2 4.43Å; A223-V273 PolarHBondContact N-O 2.98Å; A223-V273 WeakPolarHBondContact O-CG2 3.43Å; A223-V273 PolarHBondContact O-N 3.05Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V273-E278 HydrophobicContact CG2-CG 3.87Å; V273-Y281 HydrophobicContact CB-CD2 4.05Å; V273-Y281 HydrophobicContact CB-CE2 3.74Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	95.8	Very high	96.3	Very high	47 Å²	47	33.2 Å²	33.2	31%	0.305	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	139.9	169.9	-20.2	32.3	0	0	0	111.1	H221 G276 E277	H221-P274 CarbonylContact O-C 3.57Å; H221-P274 WeakPolarHBondContact O-CA 3.36Å; P274-G276 PolarHBondContact O-N 2.73Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.46Å; P274-E277 PolarHBondContact O-N 2.81Å
275	S	91.6	Very high	96.4	Very high	55 Å²	55	32.9 Å²	32.9	39%	0.385	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	129.5	176.4	-63	0	0	0	0	111.1	H221 E222 E278	H221-S275 PolarHBondContact O-N 2.94Å; H221-S275 PolarHBondContact O-OG 3.35Å; E222-S275 PolarHBondContact N-OG 2.87Å; S275-E278 WeakPolarHBondContact CA-OE1 3.44Å
276	G	90.4	Very high	96.3	Very high	66 Å²	66	34.6 Å²	34.6	68%	0.68	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.7	-8.2	-176.6	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 2.73Å; G276-E278 WeakPolarHBondContact CA-OE2 3.21Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.82Å; G276-E278 PolarHBondContact N-OE2 3.05Å
277	E	94.4	Very high	96.2	Very high	55 Å²	55	32.5 Å²	32.5	26%	0.257	18%	0.18	S	C	.	.			trans	-99.4	3.3	176.9	-66.2	-158.9	-154.6	0	0	113.8	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.52Å; R243-E277 IonicContact NE-OE2 3.72Å; R243-E277 IonicContact NH2-OE1 3.74Å; R243-E277 IonicContact NH2-OE2 2.67Å; R243-E277 PolarHBondContact NH2-OE2 3.03Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.46Å; P274-E277 PolarHBondContact O-N 2.81Å; E277-Q279 PolarHBondContact O-N 3.27Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.5Å; E277-R280 PolarHBondContact O-N 3.44Å; E277-R280 IonicContact OE1-NH1 3.77Å; E277-R280 IonicContact OE2-CZ 3.49Å; E277-R280 IonicContact OE2-NE 3.8Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 2.99Å; E277-Y281 HydrophobicContact CB-CE2 4.39Å; E277-Y281 WeakPolarHBondContact O-CD2 3.38Å
278	E	94.1	Very high	95.8	Very high	19 Å²	19	34.8 Å²	34.8	9%	0.089	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-58.9	-30.1	-170.2	-56.3	83.4	179.5	0	0	112.9	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.14Å; L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD1-CG 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; V273-E278 HydrophobicContact CG2-CG 3.87Å; S275-E278 WeakPolarHBondContact CA-OE1 3.44Å; G276-E278 WeakPolarHBondContact CA-OE2 3.21Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.82Å; G276-E278 PolarHBondContact N-OE2 3.05Å; E278-R280 PolarHBondContact O-N 2.99Å; E278-Y281 PolarHBondContact O-N 3.1Å; E278-W298 HydrophobicContact CB-CD2 4.23Å; E278-W298 HydrophobicContact CB-CE3 3.22Å; E278-W298 HydrophobicContact CB-CZ3 3.51Å; E278-W298 HydrophobicContact CG-CD2 4.48Å; E278-W298 HydrophobicContact CG-CE3 3.6Å; E278-W298 HydrophobicContact CG-CH2 4.31Å; E278-W298 HydrophobicContact CG-CZ3 3.47Å; E278-W298 VanDerWaalsContact CG-CZ3 3.47Å
279	Q	94.4	Very high	95.5	Very high	97 Å²	97	34.2 Å²	34.2	45%	0.453	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-71.5	-16.1	179.2	-63.3	-55.3	-46.2	0	0	114.2	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 3.27Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-R297 PolarHBondContact O-NH1 3.36Å; Q279-W298 PolarHBondContact NE2-O 3.15Å
280	R	95.7	Very high	95.2	Very high	100 Å²	100	34.9 Å²	34.9	38%	0.377	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-78.2	-16.1	174.2	-62.5	174.2	67.4	178.6	5.1	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.37Å; R243-R280 HydrophobicContact CG-CB 4.38Å; D244-R280 PolarHBondContact N-O 3.48Å; D244-R280 IonicContact OD1-NE 3.5Å; D244-R280 PolarHBondContact OD1-NE 2.87Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.78Å; D244-R280 PolarHBondContact OD2-NE 2.83Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 2.81Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.5Å; E277-R280 PolarHBondContact O-N 3.44Å; E277-R280 IonicContact OE1-NH1 3.77Å; E277-R280 IonicContact OE2-CZ 3.49Å; E277-R280 IonicContact OE2-NE 3.8Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 2.99Å; E278-R280 PolarHBondContact O-N 2.99Å
281	Y	96.9	Very high	94.9	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.7	-177.1	-69.2	-100	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; R243-Y281 HydrophobicContact CB-CD1 4.14Å; R243-Y281 HydrophobicContact CB-CE1 3.93Å; R243-Y281 WeakPolarHBondContact CD-OH 3.33Å; R243-Y281 HydrophobicContact CG-CD1 4.5Å; R243-Y281 HydrophobicContact CG-CD2 4.5Å; R243-Y281 HydrophobicContact CG-CE1 4.12Å; R243-Y281 HydrophobicContact CG-CE2 4.1Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.06Å; V273-Y281 HydrophobicContact CB-CD2 4.05Å; V273-Y281 HydrophobicContact CB-CE2 3.74Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.39Å; E277-Y281 WeakPolarHBondContact O-CD2 3.38Å; E278-Y281 PolarHBondContact O-N 3.1Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	97.6	Very high	94.7	Very high	11 Å²	11	47.4 Å²	47.4	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133	175.4	44.6	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.14Å; W241-T282 VanDerWaalsContact CE3-C 3.4Å; Q242-T282 PolarHBondContact N-O 3.32Å; Q242-T282 PolarHBondContact O-N 3.06Å; T282-H284 PolarHBondContact OG1-NE2 2.63Å; T282-T295 HydrophobicContact CG2-CG2 3.83Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 WeakPolarHBondContact CA-O 3.48Å; T282-R297 HydrophobicContact CG2-CG 3.52Å
283	C	97.9	Very high	94.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.7	168.9	173.4	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.31Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.44Å; T240-C283 CarbonylContact O-C 3.53Å; T240-C283 WeakPolarHBondContact O-CA 3.49Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.05Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.03Å; W241-C283 HydrophobicContact CZ3-CB 3.96Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.43Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.21Å; C283-L296 PolarHBondContact O-N 2.76Å
284	H	97.4	Very high	94.5	Very high	34 Å²	34	50.3 Å²	50.3	16%	0.157	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.8	176.2	-64.1	-101.4	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.25Å; T240-H284 PolarHBondContact N-O 3.41Å; T240-H284 PolarHBondContact O-N 3Å; Q242-H284 PolarHBondContact OE1-NE2 3.17Å; T282-H284 PolarHBondContact OG1-NE2 2.63Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.38Å; H284-T295 PolarHBondContact CE1-OG1 3.44Å; H284-T295 PolarHBondContact ND1-OG1 3.24Å
285	V	97.8	Very high	94.6	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.6	-178.3	-174.2	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.94Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.15Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; T238-V285 WeakPolarHBondContact O-CA 3.38Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CG-CG2 4.33Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; V285-P293 WeakPolarHBondContact O-CA 3.34Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 3.11Å; V285-L294 PolarHBondContact O-N 3.13Å; V285-L296 HydrophobicContact CG2-CD1 3.93Å
286	Q	96.8	Very high	94.8	Very high	62 Å²	62	51 Å²	51	29%	0.29	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.7	174.9	-55.4	178.1	7.3	0	0	108.8	W23 I237 T238 P293	W23-Q286 HydrophobicContact CZ2-CB 4.48Å; I237-Q286 WeakPolarHBondContact CG1-O 3.42Å; T238-Q286 PolarHBondContact N-O 2.92Å; T238-Q286 PolarHBondContact O-N 2.91Å; Q286-P293 HydrophobicContact CG-CB 3.99Å; Q286-P293 HydrophobicContact CG-CG 4.09Å
287	H	95.3	Very high	95	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	136.6	-174.5	178.6	-94.1	0	0	0	111.9	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.41Å; W23-H287 WeakPolarHBondContact CZ3-O 3.44Å; E207-H287 PolarHBondContact O-CE1 3.32Å; P209-H287 HydrophobicContact CG-CB 3.98Å; F232-H287 AromaticContact CD2-CD2 3.68Å; F232-H287 AromaticContact CD2-NE2 3.64Å; Y233-H287 PolarHBondContact O-CE1 2.74Å; P234-H287 PolarHBondContact O-NE2 3.43Å; E236-H287 PolarHBondContact O-CD2 2.76Å; I237-H287 HydrophobicContact CD1-CB 4.06Å; I237-H287 HydrophobicContact CG1-CB 3.93Å; H287-G289 PolarHBondContact CE1-N 2.75Å; H287-G289 PolarHBondContact ND1-N 3.28Å; H287-G289 CarbonylContact O-C 3.45Å; H287-G289 PolarHBondContact O-N 2.81Å; H287-L290 HydrophobicContact CB-CD1 4.05Å; H287-L290 HydrophobicContact CB-CG 4.32Å; H287-L290 WeakPolarHBondContact O-CB 3.41Å; H287-L290 PolarHBondContact O-N 3.47Å
288	E	91.2	Very high	94.9	Very high	69 Å²	69	56.1 Å²	56.1	32%	0.322	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.8	-35.7	-172.3	-164.1	177.5	158.4	0	0	115.7	W23 C25 P234	W23-E288 HydrophobicContact CE3-CB 4.15Å; W23-E288 HydrophobicContact CE3-CG 3.94Å; W23-E288 VanDerWaalsContact CH2-N 3.35Å; W23-E288 HydrophobicContact CZ3-CB 4.25Å; W23-E288 HydrophobicContact CZ3-CG 4.44Å; W23-E288 WeakPolarHBondContact CZ3-O 3.19Å; C25-E288 PolarHBondContact SG-OE1 3.2Å; P234-E288 HydrophobicContact CG-CB 4.17Å; P234-E288 WeakPolarHBondContact CG-OE2 3.45Å
289	G	90.9	Very high	94.3	Very high	13 Å²	13	57.1 Å²	57.1	13%	0.134	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-46	176.7	0	0	0	0	0	112.2	H208 H287	H208-G289 PolarHBondContact CE1-O 3.34Å; H208-G289 PolarHBondContact ND1-O 2.96Å; H287-G289 PolarHBondContact CE1-N 2.75Å; H287-G289 PolarHBondContact ND1-N 3.28Å; H287-G289 CarbonylContact O-C 3.45Å; H287-G289 PolarHBondContact O-N 2.81Å
290	L	93.3	Very high	92.4	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.073	31%	0.311	C	S	.	.			trans	-65.7	127.7	-168.2	-64.9	170.3	0	0	0	113	W23 H208 P209 V285 H287 E292 L294	W23-L290 WeakPolarHBondContact CZ3-O 3.44Å; H208-L290 HydrophobicContact CB-CD2 4.13Å; H208-L290 WeakPolarHBondContact ND1-CA 3.46Å; H208-L290 PolarHBondContact ND1-N 3.11Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.23Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; H287-L290 HydrophobicContact CB-CD1 4.05Å; H287-L290 HydrophobicContact CB-CG 4.32Å; H287-L290 WeakPolarHBondContact O-CB 3.41Å; H287-L290 PolarHBondContact O-N 3.47Å; L290-E292 WeakPolarHBondContact CB-O 3.48Å; L290-E292 PolarHBondContact O-N 2.98Å; L290-L294 HydrophobicContact CD1-CD1 4.02Å; L290-L294 HydrophobicContact CD1-CG 3.87Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CD2 4.38Å; L290-L294 HydrophobicContact CD2-CG 3.84Å; L290-L294 HydrophobicContact CG-CG 4.48Å
291	P	91.5	Very high	90.2	Very high	120 Å²	120	58.7 Å²	58.7	78%	0.779	33%	0.328	S	S	*	.	S	Bend	trans	-66.6	-30.4	175.5	28.9	-34.9	0	0	0	111.9
292	E	92.1	Very high	87.6	Confident	148 Å²	148	64 Å²	64	69%	0.692	37%	0.366	S	S	*	.	S	Bend	trans	-141.4	148	174.9	-66.1	-177.6	179.8	0	0	109.4	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.48Å; L290-E292 PolarHBondContact O-N 2.98Å; E292-L294 PolarHBondContact O-N 2.82Å
293	P	94.8	Very high	85	Confident	78 Å²	78	71 Å²	71	51%	0.506	40%	0.397	S	S	.	.			trans	-53.6	136.4	173.6	-27.9	36.5	0	0	0	112.7	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.34Å; Q286-P293 HydrophobicContact CG-CB 3.99Å; Q286-P293 HydrophobicContact CG-CG 4.09Å
294	L	95.5	Very high	82.2	Confident	59 Å²	59	76.5 Å²	76.5	31%	0.309	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	140	175.6	-63.2	177.9	0	0	0	110.4	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.35Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.38Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 3.11Å; V285-L294 PolarHBondContact O-N 3.13Å; L290-L294 HydrophobicContact CD1-CD1 4.02Å; L290-L294 HydrophobicContact CD1-CG 3.87Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CD2 4.38Å; L290-L294 HydrophobicContact CD2-CG 3.84Å; L290-L294 HydrophobicContact CG-CG 4.48Å; E292-L294 PolarHBondContact O-N 2.82Å
295	T	96.9	Very high	79.7	Confident	82 Å²	82	81.1 Å²	81.1	50%	0.503	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.4	170.1	-56.9	0	0	0	0	108.9	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.83Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.43Å; H284-T295 PolarHBondContact CE1-OG1 3.44Å; H284-T295 PolarHBondContact ND1-OG1 3.24Å
296	L	96.1	Very high	77.6	Confident	36 Å²	36	86.3 Å²	86.3	19%	0.188	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.9	-173.8	-60.5	155.8	0	0	0	109.8	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.46Å; T211-L296 HydrophobicContact CG2-CD1 4.18Å; V213-L296 HydrophobicContact CG2-CB 3.86Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 WeakPolarHBondContact CA-O 3.48Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.21Å; C283-L296 PolarHBondContact O-N 2.76Å; V285-L296 HydrophobicContact CG2-CD1 3.93Å
297	R	94.9	Very high	75.4	Confident	151 Å²	151	87.6 Å²	87.6	57%	0.57	51%	0.505	S	S	*	.			trans	-121	155.7	168.3	-68	-173.8	-177.6	-169.7	-2.4	109.2	Q279 T282 G299	Q279-R297 PolarHBondContact O-NH1 3.36Å; T282-R297 HydrophobicContact CG2-CG 3.52Å; R297-G299 PolarHBondContact O-N 2.98Å
298	W	92.4	Very high	73.7	Confident	76 Å²	76	93.3 Å²	93.3	29%	0.288	53%	0.534	S	S	.	.	S	Bend	trans	-70.4	127.7	168.6	171.9	65.8	0	0	0	110.1	V213 H215 L225 E278 Q279	V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.2Å; H215-W298 VanDerWaalsContact CB-CE2 3.48Å; H215-W298 HydrophobicContact CB-CG 4.2Å; H215-W298 HydrophobicContact CB-CZ2 3.94Å; H215-W298 AromaticContact CD2-CE2 3.81Å; H215-W298 AromaticContact CD2-CH2 3.97Å; H215-W298 AromaticContact CD2-CZ2 3.68Å; H215-W298 AromaticContact CG-CE2 3.61Å; H215-W298 AromaticContact CG-CZ2 3.56Å; H215-W298 AromaticContact CG-NE1 3.78Å; H215-W298 AromaticContact ND1-CZ2 3.79Å; H215-W298 AromaticContact NE2-CH2 3.98Å; H215-W298 AromaticContact NE2-CZ2 3.98Å; L225-W298 HydrophobicContact CD1-CB 4.32Å; L225-W298 HydrophobicContact CD2-CB 3.79Å; L225-W298 HydrophobicContact CD2-CD2 4.22Å; L225-W298 HydrophobicContact CD2-CG 3.83Å; E278-W298 HydrophobicContact CB-CD2 4.23Å; E278-W298 HydrophobicContact CB-CE3 3.22Å; E278-W298 HydrophobicContact CB-CZ3 3.51Å; E278-W298 HydrophobicContact CG-CD2 4.48Å; E278-W298 HydrophobicContact CG-CE3 3.6Å; E278-W298 HydrophobicContact CG-CH2 4.31Å; E278-W298 HydrophobicContact CG-CZ3 3.47Å; E278-W298 VanDerWaalsContact CG-CZ3 3.47Å; Q279-W298 PolarHBondContact NE2-O 3.15Å
299	G	80.1	Confident	72.1	Confident	41 Å²	41	95.8 Å²	95.8	42%	0.423	55%	0.553	S	S	.	*	S	Bend	trans	169.6	159.3	177.8	0	0	0	0	0	110.9	R297 S301	R297-G299 PolarHBondContact O-N 2.98Å; G299-S301 PolarHBondContact O-N 3.41Å
300	P	56	Low	70.7	Confident	125 Å²	125	97.3 Å²	97.3	81%	0.812	57%	0.569	S	S	*	*	S	Bend	trans	-58.2	128.1	175.3	22.1	-29.3	0	0	0	109.4	S302	P300-S302 PolarHBondContact O-N 3.03Å
301	S	48.5	Very low	69.6	Low	104 Å²	104	101.4 Å²	101.4	73%	0.727	59%	0.59	S	S	*	*			trans	-56	115.1	-175	81.9	0	0	0	0	109.4	G299 Q303	G299-S301 PolarHBondContact O-N 3.41Å; S301-Q303 PolarHBondContact O-N 2.99Å
302	S	43.3	Very low	68.7	Low	118 Å²	118	100 Å²	100	83%	0.825	58%	0.58	S	S	*	*			trans	-77.5	73.4	168.2	-54.3	0	0	0	0	107.1	P300	P300-S302 PolarHBondContact O-N 3.03Å
303	Q	42.3	Very low	67.7	Low	158 Å²	158	95.6 Å²	95.6	74%	0.738	57%	0.568	S	S	*	*			trans	-55.4	128.2	159.5	-80.2	-165.7	-27	0	0	106.2	S301 T305	S301-Q303 PolarHBondContact O-N 2.99Å; Q303-T305 PolarHBondContact O-N 3.45Å
304	P	39.3	Very low	66.9	Low	116 Å²	116	93.5 Å²	93.5	75%	0.753	56%	0.561	S	S	*	*			trans	-60.5	108	175.1	-11.6	23.8	0	0	0	106.1	I306	P304-I306 PolarHBondContact O-N 3.09Å
305	T	44.5	Very low	66.3	Low	131 Å²	131	96 Å²	96	80%	0.804	57%	0.574	S	S	*	*			trans	-69.9	90.3	166.2	-52.4	0	0	0	0	104.2	Q303 P307	Q303-T305 PolarHBondContact O-N 3.45Å; T305-P307 VanDerWaalsContact O-N 3.11Å
306	I	53.7	Low	65.5	Low	109 Å²	109	94.7 Å²	94.7	56%	0.559	57%	0.572	S	S	*	*			trans	-47.9	124.1	167.4	-62.7	174.3	0	0	0	104.7	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.09Å; I306-I308 PolarHBondContact O-N 3.41Å; I306-I311 HydrophobicContact CG2-CD1 4.06Å
307	P	51.7	Low	64.9	Low	90 Å²	90	97.2 Å²	97.2	58%	0.584	59%	0.588	S	S	*	*			trans	-72.6	82.7	-176.4	29.2	-32.8	0	0	0	107.5	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-N 3.11Å; P307-V309 PolarHBondContact O-N 3.48Å; P307-V309 VanDerWaalsContact O-N 3.09Å; P307-G310 PolarHBondContact O-N 3.04Å; P307-I311 PolarHBondContact O-N 3.19Å
308	I	59.7	Low	64.3	Low	121 Å²	121	95.6 Å²	95.6	62%	0.621	59%	0.59	S	S	*	*	H	α-helix	trans	-53.7	-31.6	177.3	-67.2	167.9	0	0	0	109.3	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 3.41Å; I308-G310 VanDerWaalsContact C-N 3.34Å; I308-G310 PolarHBondContact O-N 3.34Å; I308-I311 PolarHBondContact O-N 3.33Å; I308-V312 HydrophobicContact CG2-CG2 4.22Å; I308-V312 VanDerWaalsContact O-CG2 3.28Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 3.29Å
309	V	57	Low	63.9	Low	121 Å²	121	94.6 Å²	94.6	73%	0.733	60%	0.598	S	S	*	*	H	α-helix	trans	-60.3	-39.1	174.4	-179.1	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 3.48Å; P307-V309 VanDerWaalsContact O-N 3.09Å; V309-A313 VanDerWaalsContact O-CB 3.28Å; V309-A313 WeakPolarHBondContact O-CB 3.49Å; V309-A313 PolarHBondContact O-N 2.72Å
310	G	62.1	Low	64.1	Low	45 Å²	45	96.8 Å²	96.8	46%	0.464	60%	0.603	S	S	.	*	H	α-helix	trans	-70	-37.6	-180	0	0	0	0	0	113	P307 I308 G314	P307-G310 PolarHBondContact O-N 3.04Å; I308-G310 VanDerWaalsContact C-N 3.34Å; I308-G310 PolarHBondContact O-N 3.34Å; G310-G314 PolarHBondContact O-N 2.87Å
311	I	70.2	Confident	65.4	Low	100 Å²	100	95.8 Å²	95.8	51%	0.513	59%	0.591	S	S	.	*	H	α-helix	trans	-71.2	-43.4	178	-60.9	174.6	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.06Å; P307-I311 PolarHBondContact O-N 3.19Å; I308-I311 PolarHBondContact O-N 3.33Å; I311-G314 PolarHBondContact O-N 2.91Å; I311-L315 HydrophobicContact CG2-CD1 4.06Å; I311-L315 WeakPolarHBondContact O-CG 3.36Å; I311-L315 PolarHBondContact O-N 2.92Å
312	V	71.9	Confident	67	Low	92 Å²	92	94 Å²	94	56%	0.558	58%	0.582	S	S	*	*	H	α-helix	trans	-65.7	-42.1	178.3	174.5	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.22Å; I308-V312 VanDerWaalsContact O-CG2 3.28Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 3.29Å; V312-L315 PolarHBondContact O-N 3.24Å; V312-A316 WeakPolarHBondContact O-CB 3.46Å; V312-A316 PolarHBondContact O-N 2.9Å
313	A	71.9	Confident	68.9	Low	54 Å²	54	92.9 Å²	92.9	45%	0.446	57%	0.57	S	S	.	*	H	α-helix	trans	-63.6	-42.7	174.9	0	0	0	0	0	112	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.28Å; V309-A313 WeakPolarHBondContact O-CB 3.49Å; V309-A313 PolarHBondContact O-N 2.72Å; A313-A316 PolarHBondContact O-N 3.39Å; A313-V317 WeakPolarHBondContact O-CG2 3.4Å; A313-V317 PolarHBondContact O-N 3.27Å; A313-V317 VanDerWaalsContact O-N 3.08Å
314	G	77.3	Confident	70.7	Confident	35 Å²	35	90 Å²	90	36%	0.361	56%	0.559	S	S	.	*	H	α-helix	trans	-61.8	-43.2	176.9	0	0	0	0	0	113.2	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.87Å; I311-G314 PolarHBondContact O-N 2.91Å; G314-V317 PolarHBondContact O-N 3.36Å; G314-L318 PolarHBondContact O-N 3.34Å; G314-L318 VanDerWaalsContact O-N 3.09Å
315	L	82.8	Confident	72.7	Confident	111 Å²	111	86.5 Å²	86.5	58%	0.581	54%	0.544	S	S	*	.	H	α-helix	trans	-66.9	-37.8	177	-72.3	171.9	0	0	0	112.5	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.06Å; I311-L315 WeakPolarHBondContact O-CG 3.36Å; I311-L315 PolarHBondContact O-N 2.92Å; V312-L315 PolarHBondContact O-N 3.24Å; L315-L318 PolarHBondContact O-N 3.27Å; L315-A319 PolarHBondContact O-N 2.98Å
316	A	80.1	Confident	74.3	Confident	55 Å²	55	82.8 Å²	82.8	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-42.3	176.1	0	0	0	0	0	111.9	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.46Å; V312-A316 PolarHBondContact O-N 2.9Å; A313-A316 PolarHBondContact O-N 3.39Å; A316-A319 PolarHBondContact O-N 3.36Å; A316-V320 WeakPolarHBondContact O-CG2 3.34Å; A316-V320 PolarHBondContact O-N 3.45Å; A316-V320 VanDerWaalsContact O-N 3.08Å
317	V	83.6	Confident	75.6	Confident	89 Å²	89	81.4 Å²	81.4	54%	0.539	52%	0.523	S	S	.	.	H	α-helix	trans	-64.4	-43.6	176.9	173.4	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.4Å; A313-V317 PolarHBondContact O-N 3.27Å; A313-V317 VanDerWaalsContact O-N 3.08Å; G314-V317 PolarHBondContact O-N 3.36Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.79Å; V317-V320 PolarHBondContact O-N 3.04Å; V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CG 3.39Å; V317-L321 PolarHBondContact O-N 3.21Å
318	L	82.9	Confident	76.7	Confident	116 Å²	116	82.8 Å²	82.8	61%	0.607	52%	0.523	S	S	*	.	H	α-helix	trans	-61	-41.4	176.4	-86.4	163	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.34Å; G314-L318 VanDerWaalsContact O-N 3.09Å; L315-L318 PolarHBondContact O-N 3.27Å; L318-L321 PolarHBondContact O-N 3.03Å; L318-A322 WeakPolarHBondContact O-CB 3.25Å; L318-A322 PolarHBondContact O-N 3.44Å
319	A	83.7	Confident	77.4	Confident	56 Å²	56	79.6 Å²	79.6	46%	0.463	52%	0.515	S	S	.	.	H	α-helix	trans	-63.1	-43.3	176.4	0	0	0	0	0	112	L315 A316 V317 A322 V323	L315-A319 PolarHBondContact O-N 2.98Å; A316-A319 PolarHBondContact O-N 3.36Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.79Å; A319-A322 PolarHBondContact O-N 3.17Å; A319-V323 WeakPolarHBondContact O-CG2 3.38Å; A319-V323 PolarHBondContact O-N 3.21Å
320	V	84.3	Confident	78.2	Confident	87 Å²	87	77.8 Å²	77.8	53%	0.527	50%	0.504	S	S	.	.	H	α-helix	trans	-63.4	-43.2	177.2	172.3	0	0	0	0	111.4	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.34Å; A316-V320 PolarHBondContact O-N 3.45Å; A316-V320 VanDerWaalsContact O-N 3.08Å; V317-V320 PolarHBondContact O-N 3.04Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 3.25Å; V320-V323 PolarHBondContact O-N 2.94Å; V320-L324 HydrophobicContact CG1-CD1 3.92Å; V320-L324 WeakPolarHBondContact O-CG 3.4Å; V320-L324 PolarHBondContact O-N 3.35Å
321	L	83.9	Confident	78.8	Confident	104 Å²	104	79.2 Å²	79.2	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-64.6	-38.4	177.3	-71	173.5	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CG 3.39Å; V317-L321 PolarHBondContact O-N 3.21Å; L318-L321 PolarHBondContact O-N 3.03Å; L321-L324 PolarHBondContact O-N 3.01Å; L321-G325 PolarHBondContact O-N 3.2Å
322	A	81.4	Confident	78.8	Confident	66 Å²	66	80.8 Å²	80.8	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-64.3	-42	176	0	0	0	0	0	112	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.25Å; L318-A322 PolarHBondContact O-N 3.44Å; A319-A322 PolarHBondContact O-N 3.17Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-A322 PolarHBondContact O-N 3.25Å; A322-G325 PolarHBondContact O-N 3.07Å; A322-A326 WeakPolarHBondContact O-CB 3.07Å; A322-A326 PolarHBondContact O-N 3.2Å
323	V	82.6	Confident	78.4	Confident	95 Å²	95	80.8 Å²	80.8	58%	0.576	51%	0.513	S	S	*	.	H	α-helix	trans	-65	-44.9	176.2	173.8	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.38Å; A319-V323 PolarHBondContact O-N 3.21Å; V320-V323 PolarHBondContact O-N 2.94Å; V323-G325 VanDerWaalsContact C-N 3.35Å; V323-G325 PolarHBondContact O-N 3.16Å; V323-A326 PolarHBondContact O-N 3.49Å; V323-V327 HydrophobicContact CG1-CG2 4.44Å; V323-V327 VanDerWaalsContact O-CG2 3.28Å; V323-V327 WeakPolarHBondContact O-CG2 3.46Å; V323-V327 PolarHBondContact O-N 2.98Å
324	L	80.9	Confident	77.9	Confident	98 Å²	98	87.3 Å²	87.3	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-61.7	-42.5	175.9	-75.3	166.3	0	0	0	111.8	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.92Å; V320-L324 WeakPolarHBondContact O-CG 3.4Å; V320-L324 PolarHBondContact O-N 3.35Å; L321-L324 PolarHBondContact O-N 3.01Å; L324-V327 PolarHBondContact O-N 3.27Å; L324-M328 WeakPolarHBondContact O-CB 3.21Å; L324-M328 VanDerWaalsContact O-CG 3.29Å; L324-M328 WeakPolarHBondContact O-CG 3.28Å; L324-M328 PolarHBondContact O-N 3.46Å
325	G	80.9	Confident	76.9	Confident	41 Å²	41	95.5 Å²	95.5	42%	0.423	55%	0.546	S	S	.	.	H	α-helix	trans	-60.5	-44.2	174.8	0	0	0	0	0	112.6	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 3.2Å; A322-G325 PolarHBondContact O-N 3.07Å; V323-G325 VanDerWaalsContact C-N 3.35Å; V323-G325 PolarHBondContact O-N 3.16Å; G325-M328 PolarHBondContact O-N 2.8Å; G325-A329 WeakPolarHBondContact O-CB 3.23Å; G325-A329 PolarHBondContact O-N 3.1Å
326	A	78.7	Confident	75.4	Confident	54 Å²	54	99.2 Å²	99.2	45%	0.446	56%	0.557	S	S	.	*	H	α-helix	trans	-64.7	-42.3	176.6	0	0	0	0	0	112.2	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.07Å; A322-A326 PolarHBondContact O-N 3.2Å; V323-A326 PolarHBondContact O-N 3.49Å; A326-A329 PolarHBondContact O-N 3.22Å; A326-V330 VanDerWaalsContact O-CG2 3.32Å; A326-V330 WeakPolarHBondContact O-CG2 3.43Å; A326-V330 PolarHBondContact O-N 3.11Å
327	V	80	Confident	74	Confident	80 Å²	80	101.1 Å²	101.1	49%	0.485	57%	0.568	S	S	.	*	H	α-helix	trans	-62.5	-45.1	176.2	171.6	0	0	0	0	110.6	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.44Å; V323-V327 VanDerWaalsContact O-CG2 3.28Å; V323-V327 WeakPolarHBondContact O-CG2 3.46Å; V323-V327 PolarHBondContact O-N 2.98Å; L324-V327 PolarHBondContact O-N 3.27Å; V327-A329 PolarHBondContact O-N 3.43Å; V327-V330 PolarHBondContact O-N 2.87Å; V327-V331 HydrophobicContact CG1-CG2 4.37Å; V327-V331 WeakPolarHBondContact O-CB 3.13Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.35Å; V327-V331 PolarHBondContact O-N 3.21Å
328	M	74.9	Confident	72.4	Confident	119 Å²	119	101.8 Å²	101.8	59%	0.586	58%	0.576	S	S	*	*	H	α-helix	trans	-62.8	-40.6	176.9	-71.8	-63.4	-70.8	0	0	112.1	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.21Å; L324-M328 VanDerWaalsContact O-CG 3.29Å; L324-M328 WeakPolarHBondContact O-CG 3.28Å; L324-M328 PolarHBondContact O-N 3.46Å; G325-M328 PolarHBondContact O-N 2.8Å; M328-V331 PolarHBondContact O-N 3.36Å; M328-M332 WeakPolarHBondContact O-CB 3.37Å; M328-M332 WeakPolarHBondContact O-CG 3.3Å; M328-M332 PolarHBondContact O-N 2.92Å
329	A	73.5	Confident	70.5	Confident	54 Å²	54	99.4 Å²	99.4	45%	0.446	58%	0.58	S	S	.	*	H	α-helix	trans	-63.5	-43.1	175.2	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.23Å; G325-A329 PolarHBondContact O-N 3.1Å; A326-A329 PolarHBondContact O-N 3.22Å; V327-A329 PolarHBondContact O-N 3.43Å; A329-M332 PolarHBondContact O-N 3.39Å; A329-C333 WeakPolarHBondContact O-CB 3.29Å; A329-C333 PolarHBondContact O-N 2.87Å; A329-C333 PolarHBondContact O-SG 3.31Å
330	V	74.4	Confident	68.2	Low	83 Å²	83	100.8 Å²	100.8	50%	0.503	60%	0.6	S	S	.	*	H	α-helix	trans	-65	-41.2	176.1	170.8	0	0	0	0	111.4	A326 V327 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.32Å; A326-V330 WeakPolarHBondContact O-CG2 3.43Å; A326-V330 PolarHBondContact O-N 3.11Å; V327-V330 PolarHBondContact O-N 2.87Å; V330-C333 PolarHBondContact O-N 3.14Å; V330-R334 WeakPolarHBondContact O-CB 3.35Å; V330-R334 WeakPolarHBondContact O-CG 3.22Å; V330-R334 PolarHBondContact O-N 2.71Å
331	V	74	Confident	65.9	Low	74 Å²	74	107 Å²	107	45%	0.448	62%	0.62	S	S	.	*	H	α-helix	trans	-65.8	-40.6	177	170.9	0	0	0	0	111.1	V327 M328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.37Å; V327-V331 WeakPolarHBondContact O-CB 3.13Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.35Å; V327-V331 PolarHBondContact O-N 3.21Å; M328-V331 PolarHBondContact O-N 3.36Å; V331-R334 PolarHBondContact O-N 2.94Å; V331-R335 WeakPolarHBondContact O-CB 3.16Å; V331-R335 PolarHBondContact O-N 2.71Å
332	M	71.4	Confident	63.5	Low	134 Å²	134	106 Å²	106	66%	0.66	63%	0.634	S	S	*	*	H	α-helix	trans	-66.4	-40.3	174.6	-74	-171.3	71.9	0	0	112.4	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.37Å; M328-M332 WeakPolarHBondContact O-CG 3.3Å; M328-M332 PolarHBondContact O-N 2.92Å; A329-M332 PolarHBondContact O-N 3.39Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 2.89Å; M332-R335 PolarHBondContact O-N 3.04Å; M332-K336 WeakPolarHBondContact O-CB 3.48Å; M332-K336 PolarHBondContact O-N 3.05Å
333	C	62.4	Low	61.1	Low	91 Å²	91	106.7 Å²	106.7	62%	0.615	65%	0.648	S	S	*	*	H	α-helix	trans	-63.2	-37.7	173.2	-79.7	0	0	0	0	112.2	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.29Å; A329-C333 PolarHBondContact O-N 2.87Å; A329-C333 PolarHBondContact O-SG 3.31Å; V330-C333 PolarHBondContact O-N 3.14Å; C333-K336 PolarHBondContact O-N 3.19Å; C333-S337 PolarHBondContact O-N 3.47Å; C333-S337 PolarHBondContact O-OG 3.08Å
334	R	62	Low	58.8	Low	192 Å²	192	107.8 Å²	107.8	73%	0.725	66%	0.66	S	S	*	*	H	α-helix	trans	-73.4	-30.7	175.3	-77.1	-172.6	162.6	179.7	-3.4	113.7	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.35Å; V330-R334 WeakPolarHBondContact O-CG 3.22Å; V330-R334 PolarHBondContact O-N 2.71Å; V331-R334 PolarHBondContact O-N 2.94Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 2.89Å; R334-K336 VanDerWaalsContact C-N 3.33Å; R334-S337 PolarHBondContact O-OG 3.28Å
335	R	57.5	Low	56.7	Low	207 Å²	207	108.7 Å²	108.7	78%	0.781	67%	0.673	S	S	*	*	H	α-helix	trans	-70.9	-28.7	171.4	-109.6	-178.1	172	174.9	-1.8	112.6	V331 M332	V331-R335 WeakPolarHBondContact O-CB 3.16Å; V331-R335 PolarHBondContact O-N 2.71Å; M332-R335 PolarHBondContact O-N 3.04Å
336	K	50.1	Low	54.3	Low	188 Å²	188	112.9 Å²	112.9	82%	0.817	70%	0.696	S	S	*	*	H	α-helix	trans	-82.1	-17.1	179	-163.1	166.4	-179.6	177.7	0	113.6	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.48Å; M332-K336 PolarHBondContact O-N 3.05Å; C333-K336 PolarHBondContact O-N 3.19Å; R334-K336 VanDerWaalsContact C-N 3.33Å
337	S	51.3	Low	52.3	Low	96 Å²	96	119.6 Å²	119.6	67%	0.671	72%	0.718	S	S	*	*	S	Bend	trans	-95.4	0.5	177.7	56	0	0	0	0	115.1	C333 R334	C333-S337 PolarHBondContact O-N 3.47Å; C333-S337 PolarHBondContact O-OG 3.08Å; R334-S337 PolarHBondContact O-OG 3.28Å
338	S	49	Very low	49.9	Very low	102 Å²	102	120.5 Å²	120.5	71%	0.713	73%	0.734	S	S	*	*	S	Bend	trans	-96.8	25.3	177.3	77.6	0	0	0	0	114.3
339	G	43.8	Very low	47.7	Very low	66 Å²	66	119.5 Å²	119.5	68%	0.68	74%	0.744	S	S	*	*	S	Bend	trans	-152.3	103.5	176.3	0	0	0	0	0	112.9
340	G	36	Very low	46	Very low	86 Å²	86	122.2 Å²	122.2	89%	0.887	76%	0.76	S	S	*	*			trans	116.5	115.9	154.9	0	0	0	0	0	116
341	K	35.3	Very low	44	Very low	217 Å²	217	124 Å²	124	94%	0.943	78%	0.776	S	S	*	*			trans	-102.2	142.9	-175.5	-178	166.8	178.7	173.5	0	109.6
342	G	32.2	Very low	42.2	Very low	82 Å²	82	128 Å²	128	85%	0.845	80%	0.795	S	S	*	*			trans	126.1	125.4	150.1	0	0	0	0	0	117.1
343	G	31	Very low	40.7	Very low	82 Å²	82	127.2 Å²	127.2	85%	0.845	80%	0.803	S	S	*	*			trans	146.4	95.7	154.3	0	0	0	0	0	116.7
344	S	34.7	Very low	39.4	Very low	118 Å²	118	127.3 Å²	127.3	83%	0.825	81%	0.81	S	S	*	*			trans	-53.7	160.8	-178.9	-178.8	0	0	0	0	119.4
345	C	36.6	Very low	38.1	Very low	117 Å²	117	128 Å²	128	79%	0.791	82%	0.822	S	S	*	*			trans	-35.3	149.4	162.9	-71.7	0	0	0	0	117.8
346	S	31.5	Very low	36.8	Very low	128 Å²	128	121.3 Å²	121.3	90%	0.895	82%	0.817	S	S	*	*			trans	-150.7	131.3	139.6	-60.7	0	0	0	0	109.5
347	Q	36.7	Very low	36.1	Very low	196 Å²	196	117.5 Å²	117.5	92%	0.916	81%	0.814	S	S	*	*			trans	-107.6	164.8	178.5	-173.4	175.1	2.5	0	0	109.4
348	A	29.6	Very low	35.3	Very low	98 Å²	98	119.9 Å²	119.9	81%	0.81	82%	0.819	S	S	*	*			trans	105.5	139.2	167.7	0	0	0	0	0	113.9
349	A	28.8	Very low	34.4	Very low	98 Å²	98	123.5 Å²	123.5	81%	0.81	83%	0.825	S	S	*	*			cis	-153.1	151	19.3	0	0	0	0	0	112.5
350	S	36.7	Very low	33.8	Very low	111 Å²	111	125.1 Å²	125.1	78%	0.776	83%	0.826	S	S	*	*			trans	-74.8	147.4	161	53.7	0	0	0	0	112.1
351	S	34	Very low	33.6	Very low	120 Å²	120	128.5 Å²	128.5	84%	0.839	82%	0.823	S	S	*	*				-173.9	127.3	129.4	34	0	0	0	0	114.7
352	N	36.3	Very low	33.4	Very low	158 Å²	158	125.3 Å²	125.3	85%	0.845	82%	0.815	S	S	*	*			trans	-18.1	147.2	159.1	-63.5	-20	0	0	0	122.6
353	S	38.3	Very low	33.3	Very low	118 Å²	118	125.5 Å²	125.5	83%	0.825	81%	0.808	S	S	*	*				-172.4	114.1	123.9	17.2	0	0	0	0	106.7
354	A	35.3	Very low	33.4	Very low	93 Å²	93	127.5 Å²	127.5	77%	0.769	81%	0.808	S	S	*	*				75	103	58.5	0	0	0	0	0	114.8
355	Q	35.6	Very low	33.4	Very low	207 Å²	207	131.6 Å²	131.6	97%	0.967	81%	0.81	S	S	*	*			trans	145.7	130	147.6	-91.6	173.6	-36.7	0	0	108.8
356	G	29.4	Very low	33.5	Very low	66 Å²	66	134.1 Å²	134.1	68%	0.68	84%	0.84	S	S	*	*			cis	167.5	138.2	5.3	0	0	0	0	0	107.9
357	S	35.6	Very low	33.6	Very low	109 Å²	109	134.4 Å²	134.4	76%	0.762	84%	0.837	S	S	*	*			trans	65.8	112.7	143.5	-50.9	0	0	0	0	121.9
358	D	34.3	Very low	33.4	Very low	146 Å²	146	131.2 Å²	131.2	78%	0.781	83%	0.833	S	S	*	*				85.6	122.7	118.9	-66	-27.3	0	0	0	123.4
359	E	31.3	Very low	33.6	Very low	177 Å²	177	133 Å²	133	83%	0.827	83%	0.834	S	S	*	*			trans	83.7	131.8	131.9	-85.6	-162.7	130.7	0	0	123.8
360	S	30.5	Very low	33.9	Very low	100 Å²	100	135.1 Å²	135.1	70%	0.699	84%	0.835	S	S	*	*			trans	93.9	100.6	142.7	75.3	0	0	0	0	118.7
361	L	31.5	Very low	33.8	Very low	157 Å²	157	136.6 Å²	136.6	82%	0.822	84%	0.839	S	S	*	*				51.7	125.9	108.6	-87.9	169.6	0	0	0	119
362	I	31.3	Very low	33.7	Very low	151 Å²	151	137.7 Å²	137.7	77%	0.774	84%	0.839	S	S	*	*			trans	123.7	128.1	130.1	-72.4	155.8	0	0	0	117.6
363	A	29.5	Very low	33.6	Very low	85 Å²	85	136.2 Å²	136.2	70%	0.702	84%	0.839	S	S	*	*			trans	82.3	108.6	145.9	0	0	0	0	0	121.3
364	C	33.5	Very low	33.2	Very low	125 Å²	125	137.6 Å²	137.6	85%	0.845	84%	0.84	S	S	*	*				-49.6	130.1	129.2	-66.4	0	0	0	0	112.3
365	K	36	Very low	33	Very low	203 Å²	203	141.3 Å²	141.3	88%	0.883	85%	0.846	S	S	*	*				164.7	133.2	116.3	-107.9	-177.2	172.6	178.7	0	110.4
366	A	37.7	Very low	32.8	Very low	170 Å²	170	135.4 Å²	135.4	100%	1.405	84%	0.835	S	S	*	*				-151.5	0	94.6	0	0	0	0	0	108.3

Retrieved 366 of 366 residues in 1544.4 ms (Link to these results)

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