A0A090MF27_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090MF27, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	40.2	Very low	244 Å²	244	153.5 Å²	153.5	100%	1.202	79%	0.792	S	S	*	*				0	131.9	0	-69.7	150.4	165.3	0	0	108.4
2	R	33.2	Very low	40.2	Very low	249 Å²	249	152.7 Å²	152.7	94%	0.94	79%	0.788	S	S	*	*			trans	-106.1	119.1	166.6	-84.9	-178.3	170.3	164.4	-3.2	107.4	M4	R2-M4 PolarHBondContact O-N 3.1Å
3	V	36.4	Very low	40.1	Very low	144 Å²	144	151 Å²	151	87%	0.873	78%	0.781	S	S	*	*			trans	-76.4	113.8	173.3	179	0	0	0	0	107.5
4	M	37.6	Very low	40.1	Very low	180 Å²	180	145.2 Å²	145.2	89%	0.887	76%	0.76	S	S	*	*			trans	-91.9	102.2	179.8	-171.6	167.2	68.4	0	0	108.8	R2	R2-M4 PolarHBondContact O-N 3.1Å
5	A	40.7	Very low	39.9	Very low	79 Å²	79	139.3 Å²	139.3	65%	0.653	75%	0.748	S	S	*	*			trans	-62.7	143.9	179.2	0	0	0	0	0	111.4	R7	A5-R7 PolarHBondContact O-N 3.15Å
6	P	42.9	Very low	39.5	Very low	101 Å²	101	133.9 Å²	133.9	66%	0.656	74%	0.736	S	S	*	*			trans	-68.5	117.3	-175.9	-18.7	32.2	0	0	0	112	A8 L9	P6-A8 PolarHBondContact O-N 2.94Å; P6-L9 PolarHBondContact O-N 3.01Å
7	R	49.2	Very low	39.4	Very low	227 Å²	227	134.1 Å²	134.1	86%	0.857	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-58.9	-15.4	175.3	-86.8	179.9	163.6	170.7	-6.8	114.4	A5 L9	A5-R7 PolarHBondContact O-N 3.15Å; R7-L9 PolarHBondContact O-N 3.16Å
8	A	45.9	Very low	39.3	Very low	70 Å²	70	131.5 Å²	131.5	58%	0.579	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-65.8	-30.5	178.3	0	0	0	0	0	114	P6 L10	P6-A8 PolarHBondContact O-N 2.94Å; A8-L10 VanDerWaalsContact C-N 3.34Å; A8-L10 PolarHBondContact O-N 3.26Å
9	L	40.3	Very low	39.3	Very low	129 Å²	129	131.6 Å²	131.6	68%	0.675	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-74.8	-22.3	-174.4	-126	77.6	0	0	0	113.9	P6 R7	P6-L9 PolarHBondContact O-N 3.01Å; R7-L9 PolarHBondContact O-N 3.16Å
10	L	38.3	Very low	39.1	Very low	133 Å²	133	129.8 Å²	129.8	70%	0.696	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-78.2	-23.7	-176	-93.8	154	0	0	0	113.6	A8	A8-L10 VanDerWaalsContact C-N 3.34Å; A8-L10 PolarHBondContact O-N 3.26Å
11	L	42.6	Very low	39.1	Very low	132 Å²	132	132.6 Å²	132.6	69%	0.691	73%	0.732	S	S	*	*	H	α-helix	trans	-80.6	-22.9	-179.2	-71.1	168.7	0	0	0	113.4	L13 S14	L11-L13 VanDerWaalsContact C-N 3.3Å; L11-S14 WeakPolarHBondContact CA-OG 3.41Å; L11-S14 PolarHBondContact O-OG 3.4Å
12	L	40.4	Very low	39.4	Very low	144 Å²	144	126.4 Å²	126.4	75%	0.754	71%	0.708	S	S	*	*	H	α-helix	trans	-74.9	-19.3	176.3	-72	168	0	0	0	113
13	L	38.3	Very low	40.3	Very low	131 Å²	131	121.2 Å²	121.2	69%	0.686	69%	0.688	S	S	*	*	H	α-helix	trans	-89.7	-20.5	176.9	-70.2	168.8	0	0	0	113.2	L11	L11-L13 VanDerWaalsContact C-N 3.3Å
14	S	40.8	Very low	41.1	Very low	70 Å²	70	116.2 Å²	116.2	49%	0.49	66%	0.662	S	S	.	*	H	α-helix	trans	-77.1	-23.9	174.9	39.8	0	0	0	0	113.9	L11	L11-S14 WeakPolarHBondContact CA-OG 3.41Å; L11-S14 PolarHBondContact O-OG 3.4Å
15	G	36.8	Very low	42.7	Very low	56 Å²	56	110.3 Å²	110.3	58%	0.577	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-73.7	-28.2	-179.9	0	0	0	0	0	114.6
16	G	33.8	Very low	45.1	Very low	54 Å²	54	110 Å²	110	56%	0.557	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-83.4	-10.4	-177.9	0	0	0	0	0	115.4
17	L	36.5	Very low	47.6	Very low	137 Å²	137	106.7 Å²	106.7	72%	0.717	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-93.6	-0.9	-174.4	-74.1	167.8	0	0	0	114.1
18	A	38.3	Very low	49.9	Very low	87 Å²	87	97 Å²	97	72%	0.719	57%	0.574	S	S	*	*	S	Bend	trans	-97.6	-2.9	179.6	0	0	0	0	0	114.1
19	L	38.7	Very low	52.4	Low	134 Å²	134	93.6 Å²	93.6	70%	0.702	55%	0.546	S	S	*	.	S	Bend	trans	-119.9	17.4	-175.7	-92	162.7	0	0	0	113.4
20	T	36	Very low	55.2	Low	95 Å²	95	89.9 Å²	89.9	58%	0.583	52%	0.523	S	S	*	.			trans	-132.5	55.8	168.4	65.7	0	0	0	0	110.4	T22	T20-T22 VanDerWaalsContact C-N 3.29Å; T20-T22 PolarHBondContact O-N 2.89Å; T20-T22 VanDerWaalsContact O-N 3.11Å
21	E	39.4	Very low	58	Low	188 Å²	188	84 Å²	84	88%	0.879	49%	0.492	S	S	*	.			trans	-61.1	108.3	141.4	-104.3	-176.2	163	0	0	105.5	W23	E21-W23 PolarHBondContact O-N 3.38Å
22	T	40.8	Very low	60.7	Low	114 Å²	114	81.7 Å²	81.7	70%	0.699	48%	0.476	S	S	*	.			trans	-65	126.3	179.6	47.9	0	0	0	0	108	T20 A24	T20-T22 VanDerWaalsContact C-N 3.29Å; T20-T22 PolarHBondContact O-N 2.89Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T22-A24 PolarHBondContact O-N 2.78Å
23	W	52.1	Low	63.5	Low	140 Å²	140	76.3 Å²	76.3	53%	0.53	45%	0.446	S	S	.	.			trans	-63.6	68.9	164.3	-65.7	97.3	0	0	0	109.6	E21 Q286 E288	E21-W23 PolarHBondContact O-N 3.38Å; W23-Q286 HydrophobicContact CZ2-CB 4.41Å; W23-E288 HydrophobicContact CD2-CB 4.41Å; W23-E288 HydrophobicContact CD2-CG 4.45Å; W23-E288 HydrophobicContact CE3-CB 3.57Å; W23-E288 HydrophobicContact CE3-CG 3.76Å; W23-E288 HydrophobicContact CH2-CB 4.47Å; W23-E288 HydrophobicContact CZ3-CB 3.61Å; W23-E288 HydrophobicContact CZ3-CG 4.31Å; W23-E288 VanDerWaalsContact CZ3-N 3.34Å
24	A	53.3	Low	66.4	Low	39 Å²	39	72.1 Å²	72.1	32%	0.322	43%	0.426	S	S	.	.			trans	-102.6	97.3	-179.1	0	0	0	0	0	105.2	T22 S26 P129	T22-A24 PolarHBondContact O-N 2.78Å; A24-S26 PolarHBondContact O-N 3.02Å; A24-P129 HydrophobicContact CB-CB 3.91Å; A24-P129 HydrophobicContact CB-CG 3.38Å; A24-P129 WeakPolarHBondContact O-CG 3.41Å
25	C	71.8	Confident	69.1	Low	56 Å²	56	68.9 Å²	68.9	38%	0.378	40%	0.404	S	S	.	.			trans	-52	104.7	-165.9	-46.3	0	0	0	0	111.6	E288	C25-E288 PolarHBondContact SG-OE1 3.15Å
26	S	90.7	Very high	72.1	Confident	73 Å²	73	68.6 Å²	68.6	51%	0.51	39%	0.39	S	S	.	.			trans	-89.3	129.7	168.3	57.7	0	0	0	0	108.7	A24 L127	A24-S26 PolarHBondContact O-N 3.02Å; S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.44Å; S26-L127 WeakPolarHBondContact CB-O 3.33Å
27	H	95.4	Very high	75.1	Confident	31 Å²	31	66.9 Å²	66.9	14%	0.144	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.7	-178.5	-68.7	-74.6	0	0	0	111.3	D53 D126 L127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.37Å; H27-D53 IonicContact CE1-OD2 3.58Å; H27-D53 IonicContact CG-OD2 3.35Å; H27-D53 IonicContact ND1-OD1 3.54Å; H27-D53 IonicContact ND1-OD2 2.72Å; H27-D53 PolarHBondContact ND1-OD2 2.9Å; H27-D126 CarbonylContact O-C 3.5Å; H27-D126 WeakPolarHBondContact O-CA 3.22Å; H27-L127 PolarHBondContact N-O 2.88Å; H27-L127 PolarHBondContact O-N 3.2Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.61Å; H27-L196 HydrophobicContact CB-CD2 3.9Å; H27-L196 HydrophobicContact CB-CG 4.35Å; H27-L196 VanDerWaalsContact CG-CD2 3.5Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.44Å
28	S	97.3	Very high	78	Confident	23 Å²	23	63.9 Å²	63.9	16%	0.161	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149	-175.8	65.6	0	0	0	0	111.8	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.28Å; S28-V52 WeakPolarHBondContact O-CA 3.14Å; S28-D53 PolarHBondContact N-OD1 2.94Å; S28-D53 PolarHBondContact O-N 3.47Å; S28-D53 PolarHBondContact OG-OD1 2.99Å; S28-D53 VanDerWaalsContact OG-OD1 3.14Å; S28-C125 CarbonylContact C-O 3.38Å; S28-C125 WeakPolarHBondContact CA-O 3.49Å; S28-D126 WeakPolarHBondContact CB-OD1 3.48Å
29	M	98.5	Very high	80.6	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.3	166.4	179.3	174.1	58.5	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CD2 4.44Å; M29-Y31 HydrophobicContact CG-CE2 3.9Å; M29-Y31 HydrophobicContact SD-CE2 3.77Å; M29-Y51 WeakPolarHBondContact CA-O 3.47Å; M29-V52 HydrophobicContact CB-CG2 4.44Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.21Å; M29-C125 PolarHBondContact N-O 3.05Å; M29-C125 PolarHBondContact O-N 3.02Å; M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.38Å; M29-C188 WeakPolarHBondContact CE-SG 3.49Å; M29-W191 HydrophobicContact CE-CB 4.17Å; M29-W191 HydrophobicContact SD-CB 4.5Å; M29-L192 HydrophobicContact CB-CB 3.99Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.19Å; M29-L192 HydrophobicContact CE-CB 4.25Å; M29-Y195 HydrophobicContact SD-CD2 3.79Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å
30	R	98.5	Very high	83.1	Confident	50 Å²	50	60.3 Å²	60.3	19%	0.189	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.5	-175.2	-52.8	-61.2	-171.3	74.2	3.1	110.3	F32 Y51 M122 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.48Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; R30-Y51 PolarHBondContact N-O 3.31Å; R30-Y51 PolarHBondContact O-N 3.49Å; R30-M122 HydrophobicContact CB-SD 4.5Å; R30-D126 IonicContact CZ-OD1 3.44Å; R30-D126 VanDerWaalsContact CZ-OD1 3.22Å; R30-D126 IonicContact CZ-OD2 3.84Å; R30-D126 IonicContact NE-OD1 3.26Å; R30-D126 PolarHBondContact NE-OD1 2.92Å; R30-D126 IonicContact NH2-OD1 2.74Å; R30-D126 PolarHBondContact NH2-OD1 2.91Å; R30-D126 IonicContact NH2-OD2 3.85Å; R30-D126 PolarHBondContact NH2-OD2 3.45Å; R30-Y137 VanDerWaalsContact NH2-CE2 3.31Å; R30-Y137 PolarHBondContact NH2-OH 2.8Å
31	Y	98.7	Very high	85.8	Confident	9 Å²	9	65.7 Å²	65.7	4%	0.035	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.4	169.7	-69	-95.3	0	0	0	109.5	M29 Y33 V49 F57 V58 M122 S123	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CD2 4.44Å; M29-Y31 HydrophobicContact CG-CE2 3.9Å; M29-Y31 HydrophobicContact SD-CE2 3.77Å; Y31-Y33 HydrophobicContact CD1-CE1 4.38Å; Y31-Y33 HydrophobicContact CG-CE1 4.47Å; Y31-V49 WeakPolarHBondContact CA-O 3.47Å; Y31-F57 HydrophobicContact CE1-CZ 4.19Å; Y31-F57 AromaticContact CZ-CZ 3.86Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.49Å; Y31-V58 HydrophobicContact CE1-CG2 4.08Å; Y31-M122 WeakPolarHBondContact O-CA 3.1Å; Y31-S123 PolarHBondContact N-O 3.27Å; Y31-S123 PolarHBondContact O-N 3.32Å
32	F	98.8	Very high	88.3	Confident	85 Å²	85	59.6 Å²	59.6	37%	0.373	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.8	176.3	-56.6	-96	0	0	0	109.2	R30 S48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.48Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; F32-S48 WeakPolarHBondContact O-CA 3.24Å; F32-V49 HydrophobicContact CB-CG2 3.9Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 2.88Å; F32-V49 PolarHBondContact O-N 3.48Å; F32-Y51 HydrophobicContact CD2-CD2 4.18Å; F32-Y51 HydrophobicContact CE2-CD2 4.2Å; F32-R121 WeakPolarHBondContact CA-O 3.45Å; F32-M122 HydrophobicContact CD1-CB 4.01Å; F32-M122 HydrophobicContact CD1-CG 3.62Å; F32-M122 HydrophobicContact CE1-CB 4.18Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CG-CG 4.4Å; F32-M122 HydrophobicContact CZ-CG 4.02Å
33	Y	98.8	Very high	90.9	Very high	31 Å²	31	58.8 Å²	58.8	12%	0.122	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.1	176	-48.7	-39.6	0	0	0	109.3	Y31 F46 I47 S48 Y91 Q94 Q120 R121	Y31-Y33 HydrophobicContact CD1-CE1 4.38Å; Y31-Y33 HydrophobicContact CG-CE1 4.47Å; Y33-F46 HydrophobicContact CD1-CZ 4.02Å; Y33-F46 HydrophobicContact CG-CE2 4.29Å; Y33-F46 HydrophobicContact CG-CZ 4.22Å; Y33-I47 WeakPolarHBondContact CA-O 3.4Å; Y33-S48 VanDerWaalsContact CD1-OG 3.29Å; Y33-S48 WeakPolarHBondContact CD1-OG 3.38Å; Y33-S48 VanDerWaalsContact CE1-OG 3.26Å; Y33-S48 WeakPolarHBondContact CE1-OG 3.37Å; Y33-Y91 HydrophobicContact CE1-CE1 4.4Å; Y33-Q94 HydrophobicContact CD2-CG 3.99Å; Y33-Q94 HydrophobicContact CE2-CG 4.26Å; Y33-Q94 HydrophobicContact CG-CG 4.4Å; Y33-Q120 CarbonylContact O-C 3.57Å; Y33-Q120 VanDerWaalsContact O-CA 3.29Å; Y33-Q120 WeakPolarHBondContact O-CA 3.38Å; Y33-R121 HydrophobicContact CD2-CB 4.22Å; Y33-R121 HydrophobicContact CD2-CG 4.28Å; Y33-R121 PolarHBondContact N-O 3.13Å; Y33-R121 PolarHBondContact O-N 3Å
34	T	98.9	Very high	93.1	Very high	43 Å²	43	53.5 Å²	53.5	26%	0.264	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	120.4	177.7	-60.3	0	0	0	0	109.7	V36 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 4.11Å; T34-I47 PolarHBondContact N-O 3.37Å; T34-I47 PolarHBondContact O-N 3.44Å; T34-T118 HydrophobicContact CG2-CG2 4.27Å; T34-Q120 HydrophobicContact CG2-CG 4.05Å
35	S	98.8	Very high	95.2	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.014	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114.9	-178.6	-79.2	0	0	0	0	110.9	R45 F46 D98 T118 L119	S35-R45 WeakPolarHBondContact CA-O 3.48Å; S35-F46 WeakPolarHBondContact OG-CD2 3.32Å; S35-D98 WeakPolarHBondContact CB-OD2 3.48Å; S35-D98 WeakPolarHBondContact OG-CB 3.49Å; S35-D98 PolarHBondContact OG-OD2 3.49Å; S35-T118 WeakPolarHBondContact O-CA 3.22Å; S35-L119 PolarHBondContact N-O 2.78Å; S35-L119 PolarHBondContact O-N 3.32Å
36	V	98.6	Very high	96.5	Very high	50 Å²	50	53.2 Å²	53.2	30%	0.303	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117	-176.9	-173.2	0	0	0	0	110.1	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.11Å; V36-P44 CarbonylContact O-C 3.59Å; V36-P44 WeakPolarHBondContact O-CA 3.37Å; V36-P44 WeakPolarHBondContact O-CB 3.33Å; V36-R45 PolarHBondContact N-O 3.31Å; V36-R45 PolarHBondContact O-N 2.91Å; V36-H117 CarbonylContact C-O 3.57Å; V36-H117 WeakPolarHBondContact CA-O 3.4Å; V36-T118 HydrophobicContact CG2-CG2 4.28Å
37	S	98	Very high	96.9	Very high	18 Å²	18	52 Å²	52	13%	0.126	28%	0.282	C	S	.	.			trans	-69.7	146.5	172.8	76	0	0	0	0	110.8	G115 S116 H117	S37-G115 PolarHBondContact OG-O 3.11Å; S37-S116 PolarHBondContact O-OG 3.32Å; S37-H117 PolarHBondContact N-O 3.24Å; S37-H117 PolarHBondContact OG-N 2.6Å; S37-H117 PolarHBondContact OG-O 3.46Å
38	R	96.1	Very high	97	Very high	74 Å²	74	50.6 Å²	50.6	28%	0.279	28%	0.275	S	S	.	.			trans	-140	76.2	-179.4	52.1	173.4	171	-155	-16.1	111.4	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.48Å; R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.46Å; R38-R41 HydrophobicContact CG-CB 4.17Å; R38-R41 PolarHBondContact NE-O 2.99Å; R38-R41 WeakPolarHBondContact O-CA 3.3Å; R38-R41 PolarHBondContact O-N 3.42Å; R38-E43 VanDerWaalsContact CZ-O 3.29Å; R38-E43 PolarHBondContact NE-O 3.31Å; R38-E43 PolarHBondContact NH2-O 2.95Å; R38-D63 IonicContact CZ-OD1 3.05Å; R38-D63 IonicContact CZ-OD2 2.91Å; R38-D63 IonicContact NH1-OD1 2.64Å; R38-D63 IonicContact NH1-OD2 2.9Å; R38-D63 PolarHBondContact NH1-OD2 3.38Å; R38-D63 IonicContact NH2-OD1 2.76Å; R38-D63 PolarHBondContact NH2-OD1 3.04Å; R38-D63 IonicContact NH2-OD2 3.87Å; R38-D63 PolarHBondContact NH2-OD2 3.42Å
39	P	92.6	Very high	97.1	Very high	53 Å²	53	51 Å²	51	34%	0.344	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	137.5	-179.6	-29.3	37.8	0	0	0	112.8	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.37Å; P39-R41 VanDerWaalsContact O-N 3.11Å; P39-E113 WeakPolarHBondContact CB-O 3.39Å; P39-E113 WeakPolarHBondContact CG-O 3.25Å; P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.31Å
40	G	91.6	Very high	97.1	Very high	92 Å²	92	51 Å²	51	95%	0.948	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	-1.5	-174.9	0	0	0	0	0	116.3	R38	R38-G40 PolarHBondContact O-N 3.48Å
41	R	93.6	Very high	97.1	Very high	209 Å²	209	52 Å²	52	79%	0.789	28%	0.281	S	S	*	.	S	Bend	trans	-123.3	25.2	-176.1	-56.9	-176.3	-177.3	-172.9	1.2	113.8	R38 P39	R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.46Å; R38-R41 HydrophobicContact CG-CB 4.17Å; R38-R41 PolarHBondContact NE-O 2.99Å; R38-R41 WeakPolarHBondContact O-CA 3.3Å; R38-R41 PolarHBondContact O-N 3.42Å; P39-R41 PolarHBondContact O-N 3.37Å; P39-R41 VanDerWaalsContact O-N 3.11Å
42	G	92.1	Very high	97.1	Very high	59 Å²	59	51.6 Å²	51.6	61%	0.608	28%	0.28	S	S	*	.	S	Bend	trans	91.2	-161	178.4	0	0	0	0	0	114
43	E	95	Very high	97	Very high	97 Å²	97	48.9 Å²	48.9	45%	0.453	27%	0.269	S	S	.	.	S	Bend	trans	-70.3	154.2	-176.2	-56.8	-62.7	-177.4	0	0	112.5	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.29Å; R38-E43 PolarHBondContact NE-O 3.31Å; R38-E43 PolarHBondContact NH2-O 2.95Å; E43-R45 PolarHBondContact O-N 3.49Å; E43-R99 IonicContact OE1-CZ 2.79Å; E43-R99 IonicContact OE1-NE 3.13Å; E43-R99 IonicContact OE1-NH1 2.84Å; E43-R99 PolarHBondContact OE1-NH1 2.81Å; E43-R99 IonicContact OE1-NH2 3.22Å; E43-R99 PolarHBondContact OE1-NH2 2.84Å; E43-R99 IonicContact OE2-CZ 2.69Å; E43-R99 IonicContact OE2-NE 2.74Å; E43-R99 PolarHBondContact OE2-NE 2.83Å; E43-R99 IonicContact OE2-NH1 2.76Å; E43-R99 IonicContact OE2-NH2 3.83Å; E43-R99 PolarHBondContact OE2-NH2 2.9Å
44	P	97.5	Very high	96.8	Very high	29 Å²	29	50.3 Å²	50.3	19%	0.188	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-51.1	136.2	173.3	-25.8	34.8	0	0	0	112.1	V36 R99 L102	V36-P44 CarbonylContact O-C 3.59Å; V36-P44 WeakPolarHBondContact O-CA 3.37Å; V36-P44 WeakPolarHBondContact O-CB 3.33Å; P44-R99 HydrophobicContact CG-CG 4.26Å; P44-L102 HydrophobicContact CB-CD1 3.67Å; P44-L102 HydrophobicContact CG-CD1 3.83Å
45	R	98.4	Very high	96.7	Very high	88 Å²	88	49.7 Å²	49.7	33%	0.332	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	124.2	174.2	-177.7	-179.5	-174.5	179.7	-1.2	108.8	S35 V36 E43 I47 D61 S62 D63	S35-R45 WeakPolarHBondContact CA-O 3.48Å; V36-R45 PolarHBondContact N-O 3.31Å; V36-R45 PolarHBondContact O-N 2.91Å; E43-R45 PolarHBondContact O-N 3.49Å; R45-I47 HydrophobicContact CG-CG1 4.26Å; R45-D61 IonicContact CZ-OD1 2.68Å; R45-D61 IonicContact CZ-OD2 3.7Å; R45-D61 IonicContact NE-OD1 3.49Å; R45-D61 PolarHBondContact NE-OD1 2.92Å; R45-D61 IonicContact NE-OD2 3.09Å; R45-D61 VanDerWaalsContact NH2-CG 3.29Å; R45-D61 IonicContact NH2-OD1 3.5Å; R45-D61 PolarHBondContact NH2-OD1 2.85Å; R45-D61 VanDerWaalsContact NH2-OD1 3.09Å; R45-D61 IonicContact NH2-OD2 3.24Å; R45-D61 PolarHBondContact NH2-OD2 3Å; R45-S62 WeakPolarHBondContact CA-OG 3.36Å; R45-S62 WeakPolarHBondContact CG-OG 3.36Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.44Å; R45-D63 HydrophobicContact CG-CB 4.48Å; R45-D63 IonicContact NE-OD2 2.72Å
46	F	98.8	Very high	96.7	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.6	173.7	173.6	-85.8	0	0	0	109.5	Y33 S35 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.02Å; Y33-F46 HydrophobicContact CG-CE2 4.29Å; Y33-F46 HydrophobicContact CG-CZ 4.22Å; S35-F46 WeakPolarHBondContact OG-CD2 3.32Å; F46-F60 AromaticContact CD1-CD1 3.63Å; F46-F60 HydrophobicContact CD1-CD1 3.63Å; F46-F60 AromaticContact CD1-CE1 3.77Å; F46-F60 HydrophobicContact CD1-CE1 3.77Å; F46-F60 AromaticContact CE1-CD1 3.79Å; F46-F60 HydrophobicContact CE1-CD1 3.79Å; F46-F60 HydrophobicContact CE1-CE1 4.21Å; F46-S62 PolarHBondContact N-OG 2.93Å; F46-S62 PolarHBondContact O-N 2.86Å; F46-S62 PolarHBondContact O-OG 3.35Å; F46-Y91 HydrophobicContact CE1-CD1 4.45Å; F46-Q94 HydrophobicContact CE2-CB 3.96Å; F46-Q94 HydrophobicContact CE2-CG 3.65Å; F46-Q94 HydrophobicContact CZ-CB 3.96Å; F46-Q94 HydrophobicContact CZ-CG 3.97Å; F46-A95 HydrophobicContact CB-CB 3.6Å; F46-A95 HydrophobicContact CD1-CB 3.94Å; F46-A95 HydrophobicContact CD2-CB 3.9Å; F46-A95 HydrophobicContact CG-CB 3.54Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.47Å
47	I	98.8	Very high	96.6	Very high	48 Å²	48	49.8 Å²	49.8	25%	0.246	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.6	170.4	-58.1	177	0	0	0	107.8	Y33 T34 R45 F60	Y33-I47 WeakPolarHBondContact CA-O 3.4Å; T34-I47 PolarHBondContact N-O 3.37Å; T34-I47 PolarHBondContact O-N 3.44Å; R45-I47 HydrophobicContact CG-CG1 4.26Å; I47-F60 WeakPolarHBondContact CA-O 3.36Å
48	S	98.8	Very high	96.7	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.1	170.1	170.9	0	0	0	0	109.9	F32 Y33 R59 F60 Y91	F32-S48 WeakPolarHBondContact O-CA 3.24Å; Y33-S48 VanDerWaalsContact CD1-OG 3.29Å; Y33-S48 WeakPolarHBondContact CD1-OG 3.38Å; Y33-S48 VanDerWaalsContact CE1-OG 3.26Å; Y33-S48 WeakPolarHBondContact CE1-OG 3.37Å; S48-R59 CarbonylContact O-C 3.57Å; S48-R59 WeakPolarHBondContact O-CA 3.44Å; S48-F60 PolarHBondContact N-O 3.42Å; S48-F60 PolarHBondContact O-N 3.5Å; S48-Y91 WeakPolarHBondContact OG-CD1 3.29Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.44Å
49	V	98.8	Very high	96.8	Very high	32 Å²	32	49.5 Å²	49.5	19%	0.194	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.5	169.6	-63.1	0	0	0	0	109.8	Y31 F32 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.47Å; F32-V49 HydrophobicContact CB-CG2 3.9Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 2.88Å; F32-V49 PolarHBondContact O-N 3.48Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.3Å; V49-V58 WeakPolarHBondContact CA-O 3.43Å; V49-R59 HydrophobicContact CG1-CG 4.4Å
50	G	98.6	Very high	97.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.5	176.7	0	0	0	0	0	110.6	F57 V58	G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 3.42Å; G50-V58 PolarHBondContact N-O 3.31Å; G50-V58 PolarHBondContact O-N 3.38Å
51	Y	98.6	Very high	97.4	Very high	72 Å²	72	43.2 Å²	43.2	28%	0.282	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.4	-178.8	-78.4	-103.9	0	0	0	110.5	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.47Å; R30-Y51 PolarHBondContact N-O 3.31Å; R30-Y51 PolarHBondContact O-N 3.49Å; F32-Y51 HydrophobicContact CD2-CD2 4.18Å; F32-Y51 HydrophobicContact CE2-CD2 4.2Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 WeakPolarHBondContact CA-O 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.1Å; Y51-Q56 HydrophobicContact CD2-CB 4.46Å; Y51-Q56 HydrophobicContact CD2-CG 4.26Å; Y51-Q56 HydrophobicContact CE1-CB 3.66Å; Y51-Q56 HydrophobicContact CE1-CG 4.38Å; Y51-Q56 HydrophobicContact CE2-CB 4.05Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	98.2	Very high	97.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.6	156.9	175	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.28Å; S28-V52 WeakPolarHBondContact O-CA 3.14Å; M29-V52 HydrophobicContact CB-CG2 4.44Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; V52-D54 PolarHBondContact O-N 3.5Å; V52-T55 PolarHBondContact N-O 3.3Å; V52-T55 WeakPolarHBondContact O-CB 3.32Å; V52-T55 PolarHBondContact O-N 2.92Å; V52-F57 HydrophobicContact CG2-CD1 3.92Å; V52-F57 HydrophobicContact CG2-CE1 3.88Å; V52-W75 HydrophobicContact CB-CH2 4.24Å; V52-W75 HydrophobicContact CB-CZ2 4.34Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V52-Y195 HydrophobicContact CG2-CD2 3.8Å; V52-Y195 HydrophobicContact CG2-CG 4.36Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.34Å; V52-L203 HydrophobicContact CB-CD2 4.24Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å
53	D	95.8	Very high	97.9	Very high	28 Å²	28	35.4 Å²	35.4	15%	0.15	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-132.7	-165.4	-52.6	-44.6	0	0	0	110.5	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.37Å; H27-D53 IonicContact CE1-OD2 3.58Å; H27-D53 IonicContact CG-OD2 3.35Å; H27-D53 IonicContact ND1-OD1 3.54Å; H27-D53 IonicContact ND1-OD2 2.72Å; H27-D53 PolarHBondContact ND1-OD2 2.9Å; S28-D53 PolarHBondContact N-OD1 2.94Å; S28-D53 PolarHBondContact O-N 3.47Å; S28-D53 PolarHBondContact OG-OD1 2.99Å; S28-D53 VanDerWaalsContact OG-OD1 3.14Å; D53-T55 PolarHBondContact O-N 3.41Å
54	D	95.7	Very high	98	Very high	61 Å²	61	32.4 Å²	32.4	33%	0.326	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.8	177.3	-64.5	-60.8	0	0	0	114.1	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.5Å; D54-Y233 HydrophobicContact CB-CE2 3.99Å; D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 HydrophobicContact CB-CB 4.38Å; D54-A235 VanDerWaalsContact CG-CB 3.44Å; D54-A235 WeakPolarHBondContact OD1-CB 3.44Å; D54-A235 WeakPolarHBondContact OD2-CB 2.98Å; D54-A235 PolarHBondContact OD2-N 3.1Å; D54-F265 HydrophobicContact CB-CE2 3.7Å; D54-F265 HydrophobicContact CB-CZ 3.73Å
55	T	96.7	Very high	97.9	Very high	29 Å²	29	36.7 Å²	36.7	18%	0.178	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.3	-175.1	-65.8	0	0	0	0	112.1	Y51 V52 D53 F57 A73 W75 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.49Å; V52-T55 PolarHBondContact N-O 3.3Å; V52-T55 WeakPolarHBondContact O-CB 3.32Å; V52-T55 PolarHBondContact O-N 2.92Å; D53-T55 PolarHBondContact O-N 3.41Å; T55-F57 PolarHBondContact O-N 2.9Å; T55-A73 HydrophobicContact CG2-CB 4.23Å; T55-W75 HydrophobicContact CG2-CZ2 4.32Å; T55-L203 HydrophobicContact CG2-CD2 3.97Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.01Å; T55-Y233 PolarHBondContact OG1-OH 2.85Å
56	Q	97.6	Very high	97.8	Very high	55 Å²	55	36.4 Å²	36.4	26%	0.257	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.5	171.1	-166.4	-174	0.6	0	0	110.7	V49 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.3Å; Y51-Q56 HydrophobicContact CD1-CB 4.1Å; Y51-Q56 HydrophobicContact CD2-CB 4.46Å; Y51-Q56 HydrophobicContact CD2-CG 4.26Å; Y51-Q56 HydrophobicContact CE1-CB 3.66Å; Y51-Q56 HydrophobicContact CE1-CG 4.38Å; Y51-Q56 HydrophobicContact CE2-CB 4.05Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 3.47Å; Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.43Å; Q56-R72 CarbonylContact O-C 3.59Å
57	F	98.1	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-23.1	179.7	75.9	-82.5	0	0	0	114.6	M29 Y31 G50 V52 T55 P71 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; Y31-F57 HydrophobicContact CE1-CZ 4.19Å; Y31-F57 AromaticContact CZ-CZ 3.86Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.49Å; G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 3.42Å; V52-F57 HydrophobicContact CG2-CD1 3.92Å; V52-F57 HydrophobicContact CG2-CE1 3.88Å; T55-F57 PolarHBondContact O-N 2.9Å; F57-P71 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 2.87Å; F57-A73 HydrophobicContact CB-CB 4.1Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.42Å; F57-W75 VanDerWaalsContact CB-CZ2 3.42Å; F57-W75 HydrophobicContact CB-CZ3 3.85Å; F57-W75 AromaticContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD1-CH2 3.94Å; F57-W75 AromaticContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CH2 3.79Å; F57-W75 AromaticContact CD2-CZ3 3.93Å; F57-W75 HydrophobicContact CD2-CZ3 3.93Å; F57-W75 AromaticContact CG-CH2 3.37Å; F57-W75 HydrophobicContact CG-CH2 3.37Å; F57-W75 HydrophobicContact CG-CZ2 4.11Å; F57-W75 AromaticContact CG-CZ3 3.99Å; F57-W75 HydrophobicContact CG-CZ3 3.99Å; F57-V76 HydrophobicContact CB-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CB 4.38Å; F57-V76 HydrophobicContact CD2-CG1 4.39Å; F57-V76 HydrophobicContact CD2-CG2 4.19Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.49Å; F57-Y195 HydrophobicContact CD2-CE2 4.28Å; F57-Y195 HydrophobicContact CE1-CE2 4.44Å; F57-Y195 HydrophobicContact CE2-CD2 4.13Å; F57-Y195 HydrophobicContact CE2-CE1 4.39Å; F57-Y195 AromaticContact CE2-CE2 3.43Å; F57-Y195 HydrophobicContact CE2-CE2 3.43Å; F57-Y195 VanDerWaalsContact CE2-CE2 3.43Å; F57-Y195 AromaticContact CE2-CZ 3.59Å; F57-Y195 HydrophobicContact CZ-CD2 4.13Å; F57-Y195 AromaticContact CZ-CE2 3.53Å; F57-Y195 HydrophobicContact CZ-CE2 3.53Å
58	V	98.4	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.8	176.2	-73.8	0	0	0	0	114.1	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 4.08Å; V49-V58 WeakPolarHBondContact CA-O 3.43Å; G50-V58 PolarHBondContact N-O 3.31Å; G50-V58 PolarHBondContact O-N 3.38Å; Q56-V58 PolarHBondContact NE2-O 3.47Å; V58-E70 WeakPolarHBondContact CA-O 3.49Å; V58-W84 HydrophobicContact CG1-CH2 3.86Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.33Å
59	R	98.4	Very high	97.6	Very high	85 Å²	85	43.2 Å²	43.2	32%	0.321	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.9	168	-178.9	172.6	171.8	169.1	-4.2	111.2	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.57Å; S48-R59 WeakPolarHBondContact O-CA 3.44Å; V49-R59 HydrophobicContact CG1-CG 4.4Å; R59-D61 IonicContact CZ-OD2 3.5Å; R59-D61 IonicContact NE-OD2 3.1Å; R59-D61 IonicContact NH2-OD2 3.77Å; R59-D61 PolarHBondContact NH2-OD2 3.21Å; R59-E70 PolarHBondContact N-O 2.89Å; R59-E70 PolarHBondContact O-N 2.87Å; R59-R72 HydrophobicContact CB-CG 4Å
60	F	98.8	Very high	97.6	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	146	160.2	176.4	-78.1	0	0	0	108.7	F46 I47 S48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.63Å; F46-F60 HydrophobicContact CD1-CD1 3.63Å; F46-F60 AromaticContact CD1-CE1 3.77Å; F46-F60 HydrophobicContact CD1-CE1 3.77Å; F46-F60 AromaticContact CE1-CD1 3.79Å; F46-F60 HydrophobicContact CE1-CD1 3.79Å; F46-F60 HydrophobicContact CE1-CE1 4.21Å; I47-F60 WeakPolarHBondContact CA-O 3.36Å; S48-F60 PolarHBondContact N-O 3.42Å; S48-F60 PolarHBondContact O-N 3.5Å; F60-P67 HydrophobicContact CE1-CB 4.36Å; F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.59Å; F60-R68 VanDerWaalsContact CD2-C 3.42Å; F60-R68 WeakPolarHBondContact CD2-O 3.32Å; F60-Y91 HydrophobicContact CB-CD1 4.34Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.07Å; F60-Y91 HydrophobicContact CB-CG 3.75Å; F60-Y91 HydrophobicContact CD1-CG 4.49Å; F60-Y91 AromaticContact CD2-CD2 3.63Å; F60-Y91 HydrophobicContact CD2-CD2 3.63Å; F60-Y91 AromaticContact CD2-CG 3.89Å; F60-Y91 HydrophobicContact CD2-CG 3.89Å; F60-Y91 AromaticContact CG-CD2 3.83Å; F60-Y91 HydrophobicContact CG-CD2 3.83Å; F60-Y91 AromaticContact CG-CG 3.81Å; F60-Y91 HydrophobicContact CG-CG 3.81Å; F60-K92 HydrophobicContact CE2-CG 4.13Å; F60-K92 HydrophobicContact CZ-CG 3.92Å
61	D	98.7	Very high	97.6	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.053	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	123.1	178.2	-157.9	-37.1	0	0	0	109.3	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.68Å; R45-D61 IonicContact CZ-OD2 3.7Å; R45-D61 IonicContact NE-OD1 3.49Å; R45-D61 PolarHBondContact NE-OD1 2.92Å; R45-D61 IonicContact NE-OD2 3.09Å; R45-D61 VanDerWaalsContact NH2-CG 3.29Å; R45-D61 IonicContact NH2-OD1 3.5Å; R45-D61 PolarHBondContact NH2-OD1 2.85Å; R45-D61 VanDerWaalsContact NH2-OD1 3.09Å; R45-D61 IonicContact NH2-OD2 3.24Å; R45-D61 PolarHBondContact NH2-OD2 3Å; R59-D61 IonicContact CZ-OD2 3.5Å; R59-D61 IonicContact NE-OD2 3.1Å; R59-D61 IonicContact NH2-OD2 3.77Å; R59-D61 PolarHBondContact NH2-OD2 3.21Å; D61-D63 PolarHBondContact O-N 3.29Å; D61-D63 PolarHBondContact OD1-N 3.32Å; D61-A64 HydrophobicContact CB-CB 4.5Å; D61-A64 WeakPolarHBondContact O-CB 3.48Å; D61-A64 PolarHBondContact O-N 3.42Å
62	S	98.3	Very high	97.5	Very high	34 Å²	34	48.7 Å²	48.7	24%	0.238	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.6	-177.9	64.8	0	0	0	0	113.7	R45 F46 P67	R45-S62 WeakPolarHBondContact CA-OG 3.36Å; R45-S62 WeakPolarHBondContact CG-OG 3.36Å; F46-S62 PolarHBondContact N-OG 2.93Å; F46-S62 PolarHBondContact O-N 2.86Å; F46-S62 PolarHBondContact O-OG 3.35Å; S62-P67 WeakPolarHBondContact O-CG 3.34Å
63	D	97.6	Very high	97.4	Very high	69 Å²	69	49 Å²	49	37%	0.369	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	0.3	-176.5	-71.3	13.9	0	0	0	112.5	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.05Å; R38-D63 IonicContact CZ-OD2 2.91Å; R38-D63 IonicContact NH1-OD1 2.64Å; R38-D63 IonicContact NH1-OD2 2.9Å; R38-D63 PolarHBondContact NH1-OD2 3.38Å; R38-D63 IonicContact NH2-OD1 2.76Å; R38-D63 PolarHBondContact NH2-OD1 3.04Å; R38-D63 IonicContact NH2-OD2 3.87Å; R38-D63 PolarHBondContact NH2-OD2 3.42Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.44Å; R45-D63 HydrophobicContact CG-CB 4.48Å; R45-D63 IonicContact NE-OD2 2.72Å; D61-D63 PolarHBondContact O-N 3.29Å; D61-D63 PolarHBondContact OD1-N 3.32Å
64	A	97.3	Very high	97.4	Very high	34 Å²	34	52.4 Å²	52.4	28%	0.281	29%	0.294	S	S	.	.	S	Bend	trans	-64.9	146.7	171.5	0	0	0	0	0	111	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.5Å; D61-A64 WeakPolarHBondContact O-CB 3.48Å; D61-A64 PolarHBondContact O-N 3.42Å; A64-S66 PolarHBondContact O-N 3.03Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.35Å; A64-P67 VanDerWaalsContact O-CG 3.32Å; A64-P67 WeakPolarHBondContact O-CG 3.26Å
65	A	96.8	Very high	97.4	Very high	119 Å²	119	50.3 Å²	50.3	98%	0.983	28%	0.281	S	S	*	.	S	Bend	trans	-61.1	-21	-178.8	0	0	0	0	0	114.1
66	S	96	Very high	97.5	Very high	82 Å²	82	48.9 Å²	48.9	57%	0.573	27%	0.273	S	S	*	.	S	Bend	trans	-142.3	92.3	167.1	-174	0	0	0	0	108.8	A64 R68	A64-S66 PolarHBondContact O-N 3.03Å; S66-R68 PolarHBondContact O-N 2.65Å; S66-R68 VanDerWaalsContact O-N 3.15Å
67	P	97.1	Very high	97.4	Very high	36 Å²	36	52.1 Å²	52.1	23%	0.234	29%	0.288	C	S	.	.			trans	-65.2	115.7	-173.8	-24.7	35.9	0	0	0	111.9	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.36Å; F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.59Å; S62-P67 WeakPolarHBondContact O-CG 3.34Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.35Å; A64-P67 VanDerWaalsContact O-CG 3.32Å; A64-P67 WeakPolarHBondContact O-CG 3.26Å; P67-K92 WeakPolarHBondContact O-CE 3.5Å; P67-K92 PolarHBondContact O-NZ 3.08Å
68	R	97.8	Very high	97.2	Very high	152 Å²	152	58.1 Å²	58.1	57%	0.574	32%	0.316	S	S	*	.			trans	-147.2	163.4	178.4	62	-177.5	174.5	178.6	0	110	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.42Å; F60-R68 WeakPolarHBondContact CD2-O 3.32Å; S66-R68 PolarHBondContact O-N 2.65Å; S66-R68 VanDerWaalsContact O-N 3.15Å; R68-E70 HydrophobicContact CG-CG 4.31Å; R68-T88 WeakPolarHBondContact CA-OG1 3.45Å; R68-T88 HydrophobicContact CB-CG2 4.29Å
69	G	97.4	Very high	97.1	Very high	6 Å²	6	58.7 Å²	58.7	6%	0.062	32%	0.318	C	S	.	.			trans	-65.1	135	164.6	0	0	0	0	0	109.6	T88	G69-T88 PolarHBondContact N-OG1 2.95Å
70	E	97.8	Very high	97	Very high	52 Å²	52	56.4 Å²	56.4	24%	0.243	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.8	179.4	-60.6	-178	144.8	0	0	109.8	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.49Å; R59-E70 PolarHBondContact N-O 2.89Å; R59-E70 PolarHBondContact O-N 2.87Å; R68-E70 HydrophobicContact CG-CG 4.31Å; E70-R72 IonicContact OE2-CZ 2.91Å; E70-R72 IonicContact OE2-NH2 2.66Å; E70-R72 PolarHBondContact OE2-NH2 2.95Å
71	P	97.9	Very high	96.9	Very high	47 Å²	47	60.9 Å²	60.9	31%	0.305	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	150.5	172.3	28.8	-34.8	0	0	0	111.3	F57 V76 E77 W84	F57-P71 CarbonylContact O-C 3.59Å; P71-V76 HydrophobicContact CB-CG1 3.89Å; P71-E77 HydrophobicContact CB-CG 3.64Å; P71-E77 HydrophobicContact CG-CG 3.9Å; P71-W84 HydrophobicContact CB-CH2 3.68Å; P71-W84 HydrophobicContact CB-CZ2 3.94Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.37Å
72	R	97.4	Very high	96.8	Very high	120 Å²	120	68.3 Å²	68.3	45%	0.453	39%	0.385	S	S	.	.			trans	-134	-6	175.2	-60.5	-66.5	163.3	179.4	-4.6	113.6	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.43Å; Q56-R72 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 2.87Å; R59-R72 HydrophobicContact CB-CG 4Å; E70-R72 IonicContact OE2-CZ 2.91Å; E70-R72 IonicContact OE2-NH2 2.66Å; E70-R72 PolarHBondContact OE2-NH2 2.95Å
73	A	96.1	Very high	96.8	Very high	6 Å²	6	67 Å²	67	5%	0.05	38%	0.375	C	S	.	.	S	Bend	trans	-133.6	142.6	169.9	0	0	0	0	0	110.4	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.23Å; F57-A73 HydrophobicContact CB-CB 4.1Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.23Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.15Å; A73-W75 PolarHBondContact O-N 3.15Å; A73-V76 WeakPolarHBondContact O-CG1 3.39Å; A73-V76 PolarHBondContact O-N 2.84Å
74	P	96.1	Very high	96.8	Very high	100 Å²	100	65.6 Å²	65.6	65%	0.649	36%	0.364	S	S	*	.	H	α-helix	trans	-58.8	-33.8	-175	-27	35.4	0	0	0	114.3	V76 E77	P74-V76 PolarHBondContact O-N 2.8Å; P74-V76 VanDerWaalsContact O-N 3.17Å; P74-E77 WeakPolarHBondContact O-CB 3.36Å; P74-E77 PolarHBondContact O-N 3.21Å
75	W	95.9	Very high	96.8	Very high	16 Å²	16	69 Å²	69	6%	0.061	38%	0.378	C	S	.	.	H	α-helix	trans	-69.5	-10.9	-175.6	53.9	-109	0	0	0	115.1	V52 T55 F57 A73 Q78 Y195 N198 G199 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.24Å; V52-W75 HydrophobicContact CB-CZ2 4.34Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; T55-W75 HydrophobicContact CG2-CZ2 4.32Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.42Å; F57-W75 VanDerWaalsContact CB-CZ2 3.42Å; F57-W75 HydrophobicContact CB-CZ3 3.85Å; F57-W75 AromaticContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD1-CH2 3.94Å; F57-W75 AromaticContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CH2 3.79Å; F57-W75 AromaticContact CD2-CZ3 3.93Å; F57-W75 HydrophobicContact CD2-CZ3 3.93Å; F57-W75 AromaticContact CG-CH2 3.37Å; F57-W75 HydrophobicContact CG-CH2 3.37Å; F57-W75 HydrophobicContact CG-CZ2 4.11Å; F57-W75 AromaticContact CG-CZ3 3.99Å; F57-W75 HydrophobicContact CG-CZ3 3.99Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.23Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 4.15Å; A73-W75 PolarHBondContact O-N 3.15Å; W75-Q78 WeakPolarHBondContact O-CG 3.38Å; W75-Q78 PolarHBondContact O-NE2 3.22Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.45Å; W75-Y195 HydrophobicContact CH2-CD1 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.42Å; W75-Y195 HydrophobicContact CH2-CG 4.04Å; W75-Y195 AromaticContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD2 4.23Å; W75-Y195 HydrophobicContact CZ3-CE1 4.3Å; W75-Y195 AromaticContact CZ3-CG 3.52Å; W75-Y195 HydrophobicContact CZ3-CG 3.52Å; W75-N198 HydrophobicContact CB-CB 4.46Å; W75-N198 WeakPolarHBondContact CB-O 3.47Å; W75-G199 VanDerWaalsContact CB-CA 3.45Å; W75-G199 VanDerWaalsContact CG-CA 3.41Å; W75-T202 PolarHBondContact NE1-OG1 2.94Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.72Å; W75-L203 HydrophobicContact CZ2-CD2 3.99Å; W75-L203 HydrophobicContact CZ2-CG 4.27Å
76	V	97.2	Very high	96.9	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-98.4	-13.8	170.1	75.9	0	0	0	0	112.5	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CB 4.38Å; F57-V76 HydrophobicContact CD2-CG1 4.39Å; F57-V76 HydrophobicContact CD2-CG2 4.19Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.49Å; P71-V76 HydrophobicContact CB-CG1 3.89Å; A73-V76 WeakPolarHBondContact O-CG1 3.39Å; A73-V76 PolarHBondContact O-N 2.84Å; P74-V76 PolarHBondContact O-N 2.8Å; P74-V76 VanDerWaalsContact O-N 3.17Å; V76-Q78 PolarHBondContact O-N 3.43Å; V76-E79 HydrophobicContact CG2-CB 4.4Å; V76-E79 HydrophobicContact CG2-CG 3.72Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.44Å; V76-E79 WeakPolarHBondContact O-CG 3.29Å; V76-E79 PolarHBondContact O-N 2.7Å; V76-Y83 HydrophobicContact CG2-CE1 4.07Å; V76-W84 HydrophobicContact CG1-CH2 3.94Å; V76-W84 HydrophobicContact CG1-CZ2 4.16Å; V76-W84 HydrophobicContact CG2-CH2 4.12Å; V76-W84 HydrophobicContact CG2-CZ2 4.05Å; V76-W84 WeakPolarHBondContact O-CZ2 3.36Å; V76-Y195 HydrophobicContact CG2-CE1 4.21Å
77	E	95.6	Very high	96.9	Very high	123 Å²	123	64.4 Å²	64.4	58%	0.575	32%	0.323	S	S	*	.	H	α-helix	trans	-63.8	-24.8	179.3	-63.1	-174.6	179.5	0	0	113	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.64Å; P71-E77 HydrophobicContact CG-CG 3.9Å; P74-E77 WeakPolarHBondContact O-CB 3.36Å; P74-E77 PolarHBondContact O-N 3.21Å; E77-E79 PolarHBondContact O-N 2.98Å
78	Q	94.4	Very high	97	Very high	126 Å²	126	63 Å²	63	59%	0.589	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-8.7	172.4	64.3	-176.7	-27	0	0	114.6	W75 V76	W75-Q78 WeakPolarHBondContact O-CG 3.38Å; W75-Q78 PolarHBondContact O-NE2 3.22Å; V76-Q78 PolarHBondContact O-N 3.43Å
79	E	96.6	Very high	97	Very high	11 Å²	11	60.7 Å²	60.7	5%	0.051	31%	0.309	C	S	.	.	S	Bend	trans	-69.4	131.7	175.1	-68.4	-63.3	165.3	0	0	111.2	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CB 4.4Å; V76-E79 HydrophobicContact CG2-CG 3.72Å; V76-E79 VanDerWaalsContact O-CB 3.3Å; V76-E79 WeakPolarHBondContact O-CB 3.44Å; V76-E79 WeakPolarHBondContact O-CG 3.29Å; V76-E79 PolarHBondContact O-N 2.7Å; E77-E79 PolarHBondContact O-N 2.98Å; E79-Y83 HydrophobicContact CB-CD1 3.6Å; E79-Y83 HydrophobicContact CB-CD2 4.39Å; E79-Y83 HydrophobicContact CB-CE1 4.2Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.17Å; E79-Y83 HydrophobicContact CG-CD2 4.34Å; E79-Y83 HydrophobicContact CG-CE1 4.38Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; E79-W84 VanDerWaalsContact O-CD1 3.24Å; E79-W84 PolarHBondContact O-NE1 2.98Å; E79-R194 VanDerWaalsContact CD-NH2 3.29Å; E79-R194 IonicContact OE1-CZ 2.66Å; E79-R194 VanDerWaalsContact OE1-CZ 3.32Å; E79-R194 IonicContact OE1-NE 3.4Å; E79-R194 PolarHBondContact OE1-NE 3.38Å; E79-R194 IonicContact OE1-NH2 2.73Å; E79-R194 PolarHBondContact OE1-NH2 2.81Å; E79-R194 VanDerWaalsContact OE1-NH2 3.09Å; E79-R194 IonicContact OE2-CZ 2.88Å; E79-R194 IonicContact OE2-NE 3.09Å; E79-R194 IonicContact OE2-NH2 3.88Å; E79-R194 PolarHBondContact OE2-NH2 2.74Å; E79-N198 PolarHBondContact OE1-ND2 3.4Å
80	G	95.9	Very high	97	Very high	37 Å²	37	63.8 Å²	63.8	38%	0.381	32%	0.321	S	S	.	.			trans	-67.2	167	-173.7	0	0	0	0	0	114.5	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.83Å; G80-E82 VanDerWaalsContact O-N 3.14Å; G80-Y83 VanDerWaalsContact O-CB 3.32Å; G80-Y83 WeakPolarHBondContact O-CB 3.39Å; G80-Y83 PolarHBondContact O-N 3.26Å; G80-W84 PolarHBondContact O-N 2.92Å
81	P	96.8	Very high	97	Very high	99 Å²	99	61.6 Å²	61.6	64%	0.643	31%	0.311	S	S	*	.	H	α-helix	trans	-56.8	-34.8	-176.5	22.5	-33.6	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.25Å; P81-Y83 PolarHBondContact O-N 3.35Å; P81-W84 PolarHBondContact O-N 3.29Å; P81-W84 VanDerWaalsContact O-N 3.12Å; P81-D85 PolarHBondContact O-N 2.93Å
82	E	97.4	Very high	97.1	Very high	166 Å²	166	63 Å²	63	78%	0.776	31%	0.312	S	S	*	.	H	α-helix	trans	-59	-33.2	176.3	-61.1	-176.7	-178.4	0	0	113.4	G80 R86	G80-E82 PolarHBondContact O-N 2.83Å; G80-E82 VanDerWaalsContact O-N 3.14Å; E82-R86 WeakPolarHBondContact O-CB 3.32Å; E82-R86 PolarHBondContact O-N 2.91Å; E82-R86 VanDerWaalsContact O-N 3.12Å
83	Y	97.4	Very high	97.1	Very high	6 Å²	6	65 Å²	65	2%	0.024	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-54.6	172.4	169	-89.6	0	0	0	109.8	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.07Å; E79-Y83 HydrophobicContact CB-CD1 3.6Å; E79-Y83 HydrophobicContact CB-CD2 4.39Å; E79-Y83 HydrophobicContact CB-CE1 4.2Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.17Å; E79-Y83 HydrophobicContact CG-CD2 4.34Å; E79-Y83 HydrophobicContact CG-CE1 4.38Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; G80-Y83 VanDerWaalsContact O-CB 3.32Å; G80-Y83 WeakPolarHBondContact O-CB 3.39Å; G80-Y83 PolarHBondContact O-N 3.26Å; P81-Y83 VanDerWaalsContact C-N 3.25Å; P81-Y83 PolarHBondContact O-N 3.35Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.92Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.34Å; Y83-R86 PolarHBondContact O-N 2.92Å; Y83-R86 VanDerWaalsContact O-N 3.15Å; Y83-E87 HydrophobicContact CD1-CG 4.33Å; Y83-E87 HydrophobicContact CD2-CG 4.07Å; Y83-E87 HydrophobicContact CE1-CG 4.01Å; Y83-E87 HydrophobicContact CE2-CG 3.74Å; Y83-E87 HydrophobicContact CG-CG 4.34Å; Y83-E87 WeakPolarHBondContact O-CG 3.48Å; Y83-E87 PolarHBondContact O-N 2.76Å; Y83-W191 HydrophobicContact CD2-CE3 4.41Å; Y83-W191 AromaticContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CZ2 4.37Å; Y83-W191 AromaticContact CD2-CZ3 3.59Å; Y83-W191 HydrophobicContact CD2-CZ3 3.59Å; Y83-W191 HydrophobicContact CE2-CE3 4.03Å; Y83-W191 HydrophobicContact CE2-CH2 4.04Å; Y83-W191 AromaticContact CE2-CZ3 3.61Å; Y83-W191 HydrophobicContact CE2-CZ3 3.61Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.23Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y83-Y195 PolarHBondContact OH-OH 3.41Å
84	W	98	Very high	97.2	Very high	39 Å²	39	66.7 Å²	66.7	15%	0.148	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-38.7	-176	-66.7	107.2	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.86Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å; P71-W84 HydrophobicContact CB-CH2 3.68Å; P71-W84 HydrophobicContact CB-CZ2 3.94Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.37Å; V76-W84 HydrophobicContact CG1-CH2 3.94Å; V76-W84 HydrophobicContact CG1-CZ2 4.16Å; V76-W84 HydrophobicContact CG2-CH2 4.12Å; V76-W84 HydrophobicContact CG2-CZ2 4.05Å; V76-W84 WeakPolarHBondContact O-CZ2 3.36Å; E79-W84 VanDerWaalsContact O-CD1 3.24Å; E79-W84 PolarHBondContact O-NE1 2.98Å; G80-W84 PolarHBondContact O-N 2.92Å; P81-W84 PolarHBondContact O-N 3.29Å; P81-W84 VanDerWaalsContact O-N 3.12Å; W84-T88 WeakPolarHBondContact O-CB 3.18Å; W84-T88 PolarHBondContact O-N 3.16Å; W84-T88 PolarHBondContact O-OG1 3.14Å
85	D	97.9	Very high	97.3	Very high	105 Å²	105	63 Å²	63	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-65.9	-47.3	173.1	-80.6	-32.4	0	0	0	111.5	P81 Y83 E87 T88 Q89	P81-D85 PolarHBondContact O-N 2.93Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.92Å; D85-E87 PolarHBondContact O-N 3.37Å; D85-T88 WeakPolarHBondContact O-CB 3.3Å; D85-T88 PolarHBondContact O-N 2.73Å; D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.2Å; D85-Q89 PolarHBondContact O-N 3.12Å
86	R	97.4	Very high	97.4	Very high	97 Å²	97	68.7 Å²	68.7	37%	0.366	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-44	-179.7	-175.2	-171.6	69	-144.8	-1.5	112.5	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.32Å; E82-R86 PolarHBondContact O-N 2.91Å; E82-R86 VanDerWaalsContact O-N 3.12Å; Y83-R86 VanDerWaalsContact CD2-NH2 3.34Å; Y83-R86 PolarHBondContact O-N 2.92Å; Y83-R86 VanDerWaalsContact O-N 3.15Å; R86-Q89 PolarHBondContact O-N 2.95Å; R86-K90 PolarHBondContact O-N 3.47Å
87	E	97.5	Very high	97.4	Very high	8 Å²	8	70.8 Å²	70.8	4%	0.037	35%	0.349	C	S	.	.	H	α-helix	trans	-68.9	-40.4	176	-56.8	-42	120.2	0	0	111	Y83 D85 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.33Å; Y83-E87 HydrophobicContact CD2-CG 4.07Å; Y83-E87 HydrophobicContact CE1-CG 4.01Å; Y83-E87 HydrophobicContact CE2-CG 3.74Å; Y83-E87 HydrophobicContact CG-CG 4.34Å; Y83-E87 WeakPolarHBondContact O-CG 3.48Å; Y83-E87 PolarHBondContact O-N 2.76Å; D85-E87 PolarHBondContact O-N 3.37Å; E87-Q89 VanDerWaalsContact C-N 3.29Å; E87-Q89 PolarHBondContact O-N 2.87Å; E87-K90 WeakPolarHBondContact O-CB 3.16Å; E87-K90 PolarHBondContact O-N 2.88Å; E87-K90 IonicContact OE1-NZ 3.95Å; E87-K90 PolarHBondContact OE1-NZ 2.95Å; E87-K90 WeakPolarHBondContact OE2-CD 3.18Å; E87-K90 WeakPolarHBondContact OE2-CE 3.42Å; E87-K90 IonicContact OE2-NZ 3.32Å; E87-K90 PolarHBondContact OE2-NZ 2.93Å; E87-Y91 HydrophobicContact CB-CE2 3.99Å; E87-Y91 WeakPolarHBondContact O-CD2 3.41Å; E87-Y91 PolarHBondContact O-N 2.85Å
88	T	98.3	Very high	97.6	Very high	7 Å²	7	65.2 Å²	65.2	4%	0.043	32%	0.324	C	S	.	.	H	α-helix	trans	-55.4	-42.2	170.9	-66.6	0	0	0	0	112.4	R68 G69 W84 D85 Y91 K92	R68-T88 WeakPolarHBondContact CA-OG1 3.45Å; R68-T88 HydrophobicContact CB-CG2 4.29Å; G69-T88 PolarHBondContact N-OG1 2.95Å; W84-T88 WeakPolarHBondContact O-CB 3.18Å; W84-T88 PolarHBondContact O-N 3.16Å; W84-T88 PolarHBondContact O-OG1 3.14Å; D85-T88 WeakPolarHBondContact O-CB 3.3Å; D85-T88 PolarHBondContact O-N 2.73Å; T88-Y91 PolarHBondContact O-N 3.08Å; T88-K92 HydrophobicContact CG2-CD 3.94Å; T88-K92 WeakPolarHBondContact O-CB 3.17Å; T88-K92 WeakPolarHBondContact O-CG 3.19Å; T88-K92 PolarHBondContact O-N 2.78Å
89	Q	98.3	Very high	97.7	Very high	103 Å²	103	63.4 Å²	63.4	48%	0.481	31%	0.311	S	S	.	.	H	α-helix	trans	-76.6	-20.2	177.3	-63.9	-63	-6.8	0	0	113.4	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.2Å; D85-Q89 PolarHBondContact O-N 3.12Å; R86-Q89 PolarHBondContact O-N 2.95Å; E87-Q89 VanDerWaalsContact C-N 3.29Å; E87-Q89 PolarHBondContact O-N 2.87Å; Q89-R93 WeakPolarHBondContact O-CB 3.36Å; Q89-R93 VanDerWaalsContact O-CG 3.31Å; Q89-R93 WeakPolarHBondContact O-CG 3.47Å; Q89-R93 PolarHBondContact O-N 2.97Å; Q89-R93 PolarHBondContact O-NE 3.42Å
90	K	97.2	Very high	97.8	Very high	72 Å²	72	66.5 Å²	66.5	31%	0.313	33%	0.331	S	S	.	.	H	α-helix	trans	-70.5	-52.3	165.6	-76.8	159.4	160.6	179.8	0	110.4	R86 E87 K92 R93 Q94	R86-K90 PolarHBondContact O-N 3.47Å; E87-K90 WeakPolarHBondContact O-CB 3.16Å; E87-K90 PolarHBondContact O-N 2.88Å; E87-K90 IonicContact OE1-NZ 3.95Å; E87-K90 PolarHBondContact OE1-NZ 2.95Å; E87-K90 WeakPolarHBondContact OE2-CD 3.18Å; E87-K90 WeakPolarHBondContact OE2-CE 3.42Å; E87-K90 IonicContact OE2-NZ 3.32Å; E87-K90 PolarHBondContact OE2-NZ 2.93Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 2.81Å; K90-R93 PolarHBondContact O-N 2.87Å; K90-R93 VanDerWaalsContact O-N 3.08Å; K90-Q94 PolarHBondContact O-N 2.84Å
91	Y	98.4	Very high	97.9	Very high	5 Å²	5	66.9 Å²	66.9	2%	0.02	33%	0.328	C	S	.	.	H	α-helix	trans	-57.9	-43.9	179.5	-59.8	-48.3	0	0	0	112.4	Y33 F46 S48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CE1 4.4Å; F46-Y91 HydrophobicContact CE1-CD1 4.45Å; S48-Y91 WeakPolarHBondContact OG-CD1 3.29Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.44Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.33Å; F60-Y91 HydrophobicContact CB-CD1 4.34Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.07Å; F60-Y91 HydrophobicContact CB-CG 3.75Å; F60-Y91 HydrophobicContact CD1-CG 4.49Å; F60-Y91 AromaticContact CD2-CD2 3.63Å; F60-Y91 HydrophobicContact CD2-CD2 3.63Å; F60-Y91 AromaticContact CD2-CG 3.89Å; F60-Y91 HydrophobicContact CD2-CG 3.89Å; F60-Y91 AromaticContact CG-CD2 3.83Å; F60-Y91 HydrophobicContact CG-CD2 3.83Å; F60-Y91 AromaticContact CG-CG 3.81Å; F60-Y91 HydrophobicContact CG-CG 3.81Å; E87-Y91 HydrophobicContact CB-CE2 3.99Å; E87-Y91 WeakPolarHBondContact O-CD2 3.41Å; E87-Y91 PolarHBondContact O-N 2.85Å; T88-Y91 PolarHBondContact O-N 3.08Å; Y91-R93 VanDerWaalsContact C-N 3.33Å; Y91-R93 PolarHBondContact O-N 2.91Å; Y91-Q94 PolarHBondContact O-N 2.92Å; Y91-A95 WeakPolarHBondContact O-CB 3.43Å; Y91-A95 PolarHBondContact O-N 2.8Å
92	K	98.3	Very high	98	Very high	78 Å²	78	62.6 Å²	62.6	34%	0.339	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-35.5	176.1	-74.4	172.3	-179.7	167.7	0	113.3	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.13Å; F60-K92 HydrophobicContact CZ-CG 3.92Å; P67-K92 WeakPolarHBondContact O-CE 3.5Å; P67-K92 PolarHBondContact O-NZ 3.08Å; T88-K92 HydrophobicContact CG2-CD 3.94Å; T88-K92 WeakPolarHBondContact O-CB 3.17Å; T88-K92 WeakPolarHBondContact O-CG 3.19Å; T88-K92 PolarHBondContact O-N 2.78Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 2.81Å; K92-Q96 WeakPolarHBondContact O-CG 3.45Å; K92-Q96 PolarHBondContact O-N 2.99Å
93	R	98.2	Very high	97.9	Very high	161 Å²	161	61.7 Å²	61.7	61%	0.608	29%	0.289	S	S	*	.	H	α-helix	trans	-72.3	-40.3	173.6	-76.5	-179.8	-68.1	161.3	-0.6	112.2	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.36Å; Q89-R93 VanDerWaalsContact O-CG 3.31Å; Q89-R93 WeakPolarHBondContact O-CG 3.47Å; Q89-R93 PolarHBondContact O-N 2.97Å; Q89-R93 PolarHBondContact O-NE 3.42Å; K90-R93 PolarHBondContact O-N 2.87Å; K90-R93 VanDerWaalsContact O-N 3.08Å; Y91-R93 VanDerWaalsContact C-N 3.33Å; Y91-R93 PolarHBondContact O-N 2.91Å; R93-Q96 PolarHBondContact O-N 2.77Å; R93-A97 PolarHBondContact O-N 2.7Å
94	Q	98.3	Very high	98	Very high	41 Å²	41	64.6 Å²	64.6	19%	0.192	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-43.3	176.3	-168.4	64.1	49.7	0	0	111.1	Y33 F46 K90 Y91 Q96 A97 D98 R121	Y33-Q94 HydrophobicContact CD2-CG 3.99Å; Y33-Q94 HydrophobicContact CE2-CG 4.26Å; Y33-Q94 HydrophobicContact CG-CG 4.4Å; F46-Q94 HydrophobicContact CE2-CB 3.96Å; F46-Q94 HydrophobicContact CE2-CG 3.65Å; F46-Q94 HydrophobicContact CZ-CB 3.96Å; F46-Q94 HydrophobicContact CZ-CG 3.97Å; K90-Q94 PolarHBondContact O-N 2.84Å; Y91-Q94 PolarHBondContact O-N 2.92Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.36Å; Q94-A97 WeakPolarHBondContact O-CB 3.01Å; Q94-A97 PolarHBondContact O-N 2.92Å; Q94-A97 VanDerWaalsContact O-N 3.08Å; Q94-D98 PolarHBondContact NE2-OD1 3.33Å; Q94-D98 WeakPolarHBondContact O-CB 3.49Å; Q94-D98 PolarHBondContact O-N 2.82Å; Q94-R121 VanDerWaalsContact CD-NH1 3.3Å
95	A	98.4	Very high	98	Very high	23 Å²	23	63 Å²	63	19%	0.19	30%	0.299	C	S	.	.	H	α-helix	trans	-57	-38.1	174.3	0	0	0	0	0	113.2	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.6Å; F46-A95 HydrophobicContact CD1-CB 3.94Å; F46-A95 HydrophobicContact CD2-CB 3.9Å; F46-A95 HydrophobicContact CG-CB 3.54Å; Y91-A95 WeakPolarHBondContact O-CB 3.43Å; Y91-A95 PolarHBondContact O-N 2.8Å; A95-R99 WeakPolarHBondContact O-CB 3.4Å; A95-R99 PolarHBondContact O-N 3.16Å; A95-R99 VanDerWaalsContact O-N 3.08Å
96	Q	98.1	Very high	97.9	Very high	135 Å²	135	60.8 Å²	60.8	63%	0.631	28%	0.283	S	S	*	.	H	α-helix	trans	-71.1	-39.4	174.3	-67.1	-123.1	-11.1	0	0	112.5	K92 R93 Q94 V100	K92-Q96 WeakPolarHBondContact O-CG 3.45Å; K92-Q96 PolarHBondContact O-N 2.99Å; R93-Q96 PolarHBondContact O-N 2.77Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.36Å; Q96-V100 WeakPolarHBondContact O-CG2 2.96Å; Q96-V100 PolarHBondContact O-N 2.85Å
97	A	97.8	Very high	97.9	Very high	45 Å²	45	58.3 Å²	58.3	37%	0.372	29%	0.287	S	S	.	.	H	α-helix	trans	-63.7	-47.5	175.3	0	0	0	0	0	111.4	R93 Q94 R99 V100 S101	R93-A97 PolarHBondContact O-N 2.7Å; Q94-A97 WeakPolarHBondContact O-CB 3.01Å; Q94-A97 PolarHBondContact O-N 2.92Å; Q94-A97 VanDerWaalsContact O-N 3.08Å; A97-R99 VanDerWaalsContact C-N 3.35Å; A97-R99 PolarHBondContact O-N 2.82Å; A97-V100 PolarHBondContact O-N 3.03Å; A97-V100 VanDerWaalsContact O-N 3.1Å; A97-S101 PolarHBondContact O-N 2.93Å; A97-S101 PolarHBondContact O-OG 2.83Å; A97-S101 VanDerWaalsContact O-OG 3.14Å
98	D	98.3	Very high	98	Very high	6 Å²	6	60.4 Å²	60.4	3%	0.032	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-40.6	177.9	-74.3	14.9	0	0	0	112	S35 F46 Q94 V100 S101 L102 L119	S35-D98 WeakPolarHBondContact CB-OD2 3.48Å; S35-D98 WeakPolarHBondContact OG-CB 3.49Å; S35-D98 PolarHBondContact OG-OD2 3.49Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.47Å; Q94-D98 PolarHBondContact NE2-OD1 3.33Å; Q94-D98 WeakPolarHBondContact O-CB 3.49Å; Q94-D98 PolarHBondContact O-N 2.82Å; D98-V100 VanDerWaalsContact C-N 3.28Å; D98-V100 PolarHBondContact O-N 2.22Å; D98-S101 PolarHBondContact O-N 3Å; D98-L102 WeakPolarHBondContact O-CB 3.43Å; D98-L102 WeakPolarHBondContact O-CG 3.41Å; D98-L102 PolarHBondContact O-N 3.37Å; D98-L119 HydrophobicContact CB-CD2 4.16Å
99	R	97.9	Very high	97.9	Very high	87 Å²	87	63.4 Å²	63.4	33%	0.328	31%	0.306	S	S	.	.	H	α-helix	trans	-56.2	-42.5	173	178.1	-168.5	177.9	-177.4	7.7	112	E43 P44 A95 A97 R103	E43-R99 IonicContact OE1-CZ 2.79Å; E43-R99 IonicContact OE1-NE 3.13Å; E43-R99 IonicContact OE1-NH1 2.84Å; E43-R99 PolarHBondContact OE1-NH1 2.81Å; E43-R99 IonicContact OE1-NH2 3.22Å; E43-R99 PolarHBondContact OE1-NH2 2.84Å; E43-R99 IonicContact OE2-CZ 2.69Å; E43-R99 IonicContact OE2-NE 2.74Å; E43-R99 PolarHBondContact OE2-NE 2.83Å; E43-R99 IonicContact OE2-NH1 2.76Å; E43-R99 IonicContact OE2-NH2 3.83Å; E43-R99 PolarHBondContact OE2-NH2 2.9Å; P44-R99 HydrophobicContact CG-CG 4.26Å; A95-R99 WeakPolarHBondContact O-CB 3.4Å; A95-R99 PolarHBondContact O-N 3.16Å; A95-R99 VanDerWaalsContact O-N 3.08Å; A97-R99 VanDerWaalsContact C-N 3.35Å; A97-R99 PolarHBondContact O-N 2.82Å; R99-R103 PolarHBondContact O-N 3.36Å
100	V	97.8	Very high	97.9	Very high	76 Å²	76	65.7 Å²	65.7	46%	0.461	32%	0.322	S	S	.	.	H	α-helix	trans	-71.6	-41.2	176.9	173.1	0	0	0	0	110.6	Q96 A97 D98 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 2.96Å; Q96-V100 PolarHBondContact O-N 2.85Å; A97-V100 PolarHBondContact O-N 3.03Å; A97-V100 VanDerWaalsContact O-N 3.1Å; D98-V100 VanDerWaalsContact C-N 3.28Å; D98-V100 PolarHBondContact O-N 2.22Å; V100-R103 PolarHBondContact O-N 3.21Å; V100-N104 VanDerWaalsContact O-CG 3.27Å; V100-N104 PolarHBondContact O-N 3.03Å; V100-N104 PolarHBondContact O-ND2 2.88Å
101	S	98.1	Very high	97.9	Very high	45 Å²	45	65.1 Å²	65.1	32%	0.315	32%	0.32	S	S	.	.	H	α-helix	trans	-60.2	-47.1	175.8	-64.5	0	0	0	0	112.3	A97 D98 R103 N104 L105	A97-S101 PolarHBondContact O-N 2.93Å; A97-S101 PolarHBondContact O-OG 2.83Å; A97-S101 VanDerWaalsContact O-OG 3.14Å; D98-S101 PolarHBondContact O-N 3Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 3.3Å; S101-N104 WeakPolarHBondContact O-CB 3.47Å; S101-N104 PolarHBondContact O-N 3.43Å; S101-L105 WeakPolarHBondContact O-CB 3.48Å; S101-L105 WeakPolarHBondContact O-CD1 3.15Å; S101-L105 WeakPolarHBondContact O-CG 3.15Å; S101-L105 PolarHBondContact O-N 3.46Å
102	L	98.4	Very high	97.7	Very high	9 Å²	9	68.4 Å²	68.4	5%	0.047	34%	0.344	C	S	.	.	H	α-helix	trans	-54.9	-42	174.9	-78.6	169.5	0	0	0	112.3	P44 D98 R106 H117 L119 Y142	P44-L102 HydrophobicContact CB-CD1 3.67Å; P44-L102 HydrophobicContact CG-CD1 3.83Å; D98-L102 WeakPolarHBondContact O-CB 3.43Å; D98-L102 WeakPolarHBondContact O-CG 3.41Å; D98-L102 PolarHBondContact O-N 3.37Å; L102-R106 VanDerWaalsContact O-CB 3.32Å; L102-R106 WeakPolarHBondContact O-CB 3.3Å; L102-R106 PolarHBondContact O-N 2.88Å; L102-R106 VanDerWaalsContact O-N 3.12Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; L102-L119 HydrophobicContact CD2-CB 3.63Å; L102-L119 HydrophobicContact CG-CB 4.04Å; L102-L119 HydrophobicContact CG-CD2 4.46Å; L102-Y142 HydrophobicContact CD2-CE2 3.97Å
103	R	96.8	Very high	97.4	Very high	148 Å²	148	70.9 Å²	70.9	56%	0.558	36%	0.357	S	S	*	.	H	α-helix	trans	-66	-41.2	175.5	-174.2	-175.1	-67.5	163.3	-1.5	112	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 3.36Å; V100-R103 PolarHBondContact O-N 3.21Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 3.3Å; R103-G107 PolarHBondContact O-N 2.83Å
104	N	97.8	Very high	97.1	Very high	66 Å²	66	69.8 Å²	69.8	35%	0.353	36%	0.363	S	S	.	.	H	α-helix	trans	-66.8	-46.2	178.5	-67.6	-27.9	0	0	0	111.7	V100 S101 G107 Y108	V100-N104 VanDerWaalsContact O-CG 3.27Å; V100-N104 PolarHBondContact O-N 3.03Å; V100-N104 PolarHBondContact O-ND2 2.88Å; S101-N104 WeakPolarHBondContact O-CB 3.47Å; S101-N104 PolarHBondContact O-N 3.43Å; N104-G107 CarbonylContact O-C 3.53Å; N104-G107 WeakPolarHBondContact O-CA 3.38Å; N104-G107 PolarHBondContact O-N 3.47Å; N104-G107 VanDerWaalsContact O-N 3.15Å; N104-Y108 HydrophobicContact CB-CE1 4.49Å; N104-Y108 WeakPolarHBondContact O-CD1 3.37Å; N104-Y108 VanDerWaalsContact O-CG 3.29Å; N104-Y108 PolarHBondContact O-N 3.24Å
105	L	98.3	Very high	96.9	Very high	5 Å²	5	68.9 Å²	68.9	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-59	-53.6	179.3	-70.7	161.6	0	0	0	110.9	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.48Å; S101-L105 WeakPolarHBondContact O-CD1 3.15Å; S101-L105 WeakPolarHBondContact O-CG 3.15Å; S101-L105 PolarHBondContact O-N 3.46Å; L105-G107 PolarHBondContact O-N 2.99Å; L105-G107 VanDerWaalsContact O-N 3.13Å; L105-Y108 PolarHBondContact O-N 3Å; L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.33Å; L105-Y109 PolarHBondContact O-N 3.46Å; L105-L119 HydrophobicContact CD1-CD1 3.97Å; L105-L119 HydrophobicContact CD1-CD2 4.19Å; L105-L119 HydrophobicContact CD1-CG 4.48Å; L105-Y142 HydrophobicContact CB-CD1 4.23Å; L105-Y142 HydrophobicContact CB-CD2 4.27Å; L105-Y142 HydrophobicContact CB-CE1 3.82Å; L105-Y142 HydrophobicContact CB-CE2 3.9Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.68Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.08Å; L105-Y142 HydrophobicContact CD2-CD1 4.41Å; L105-Y142 HydrophobicContact CD2-CG 4.36Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; L105-Y147 HydrophobicContact CD2-CD1 4.22Å; L105-Y147 HydrophobicContact CD2-CD2 3.97Å; L105-Y147 HydrophobicContact CD2-CE1 3.7Å; L105-Y147 HydrophobicContact CD2-CE2 3.42Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.42Å; L105-Y147 HydrophobicContact CD2-CG 4.35Å
106	R	97.3	Very high	96.8	Very high	60 Å²	60	71.7 Å²	71.7	23%	0.226	38%	0.382	C	S	.	.	H	α-helix	trans	-52	-37.5	174.5	-169.5	-165.1	67.5	170.5	8.6	112.3	L102 N110 Q111 S112 E113	L102-R106 VanDerWaalsContact O-CB 3.32Å; L102-R106 WeakPolarHBondContact O-CB 3.3Å; L102-R106 PolarHBondContact O-N 2.88Å; L102-R106 VanDerWaalsContact O-N 3.12Å; R106-N110 PolarHBondContact O-N 2.98Å; R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 PolarHBondContact O-N 3.41Å; R106-S112 WeakPolarHBondContact CD-O 3.48Å; R106-E113 IonicContact CZ-OE1 3.61Å; R106-E113 IonicContact NH1-OE1 2.78Å; R106-E113 PolarHBondContact NH1-OE1 2.03Å; R106-E113 IonicContact NH2-OE1 2.78Å; R106-E113 PolarHBondContact NH2-OE1 2.85Å
107	G	97.3	Very high	96.9	Very high	45 Å²	45	66 Å²	66	46%	0.464	36%	0.356	S	S	.	.	H	α-helix	trans	-69	-46.5	173.5	0	0	0	0	0	113.9	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.83Å; N104-G107 CarbonylContact O-C 3.53Å; N104-G107 WeakPolarHBondContact O-CA 3.38Å; N104-G107 PolarHBondContact O-N 3.47Å; N104-G107 VanDerWaalsContact O-N 3.15Å; L105-G107 PolarHBondContact O-N 2.99Å; L105-G107 VanDerWaalsContact O-N 3.13Å; G107-Y109 VanDerWaalsContact C-N 3.3Å; G107-Y109 PolarHBondContact O-N 2.84Å; G107-N110 PolarHBondContact O-N 2.95Å
108	Y	98.1	Very high	96.9	Very high	52 Å²	52	65.7 Å²	65.7	20%	0.204	35%	0.349	C	S	.	.	H	α-helix	trans	-62.1	-37	178.5	-58.9	-20.1	0	0	0	112.4	N104 L105 N110 A163 I166 K170	N104-Y108 HydrophobicContact CB-CE1 4.49Å; N104-Y108 WeakPolarHBondContact O-CD1 3.37Å; N104-Y108 VanDerWaalsContact O-CG 3.29Å; N104-Y108 PolarHBondContact O-N 3.24Å; L105-Y108 PolarHBondContact O-N 3Å; Y108-N110 PolarHBondContact O-ND2 3.39Å; Y108-A163 HydrophobicContact CD2-CB 4.35Å; Y108-I166 HydrophobicContact CD1-CD1 4.04Å; Y108-I166 HydrophobicContact CD2-CD1 4.48Å; Y108-I166 HydrophobicContact CE1-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CG2 3.89Å; Y108-I166 HydrophobicContact CE2-CB 4.16Å; Y108-I166 HydrophobicContact CE2-CG2 4.2Å; Y108-I166 HydrophobicContact CG-CD1 4.09Å; Y108-K170 PolarHBondContact OH-NZ 2.89Å
109	Y	98	Very high	96.9	Very high	70 Å²	70	65.9 Å²	65.9	28%	0.275	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	0.8	178.6	-68.5	-70.1	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.33Å; L105-Y109 PolarHBondContact O-N 3.46Å; G107-Y109 VanDerWaalsContact C-N 3.3Å; G107-Y109 PolarHBondContact O-N 2.84Å; Y109-Q111 VanDerWaalsContact C-N 3.26Å; Y109-Q111 PolarHBondContact O-N 2.91Å; Y109-Y142 AromaticContact CD2-CD1 3.74Å; Y109-Y142 HydrophobicContact CD2-CD1 3.74Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CG-CE1 4.48Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.44Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.4Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.45Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.28Å; Y109-D161 PolarHBondContact OH-OD1 3.08Å; Y109-D161 PolarHBondContact OH-OD2 3.49Å; Y109-A163 HydrophobicContact CD1-CB 4.25Å; Y109-A163 HydrophobicContact CE1-CB 3.72Å; Y109-A163 HydrophobicContact CE2-CB 4.02Å
110	N	97	Very high	97	Very high	150 Å²	150	65.5 Å²	65.5	80%	0.802	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	37	-178.5	-53	-84.5	0	0	0	113.8	R106 G107 Y108	R106-N110 PolarHBondContact O-N 2.98Å; G107-N110 PolarHBondContact O-N 2.95Å; Y108-N110 PolarHBondContact O-ND2 3.39Å
111	Q	97.3	Very high	97	Very high	60 Å²	60	64.2 Å²	64.2	28%	0.28	34%	0.339	S	S	.	.			trans	-83.8	153.9	-177.3	-69.8	163	-48.8	0	0	112.2	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 PolarHBondContact O-N 3.41Å; Y109-Q111 VanDerWaalsContact C-N 3.26Å; Y109-Q111 PolarHBondContact O-N 2.91Å; Q111-H117 PolarHBondContact NE2-CE1 3.19Å; Q111-H117 PolarHBondContact NE2-ND1 2.95Å; Q111-Y142 PolarHBondContact OE1-OH 3.04Å; Q111-D143 PolarHBondContact NE2-OD2 3.39Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.15Å
112	S	95	Very high	97	Very high	74 Å²	74	63.1 Å²	63.1	52%	0.517	33%	0.329	S	S	.	.			trans	-64.8	152	-179.4	-172.6	0	0	0	0	112.9	R106 D114 G115	R106-S112 WeakPolarHBondContact CD-O 3.48Å; S112-D114 VanDerWaalsContact C-N 3.26Å; S112-D114 PolarHBondContact O-N 2.95Å; S112-D114 PolarHBondContact OG-N 3.07Å; S112-G115 PolarHBondContact O-N 2.94Å
113	E	91.8	Very high	97	Very high	131 Å²	131	62.9 Å²	62.9	61%	0.612	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.2	173.7	-63.1	-136	94.2	0	0	113.5	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.39Å; P39-E113 WeakPolarHBondContact CG-O 3.25Å; R106-E113 IonicContact CZ-OE1 3.61Å; R106-E113 IonicContact NH1-OE1 2.78Å; R106-E113 PolarHBondContact NH1-OE1 2.03Å; R106-E113 IonicContact NH2-OE1 2.78Å; R106-E113 PolarHBondContact NH2-OE1 2.85Å; E113-G115 PolarHBondContact O-N 3.16Å
114	D	92.1	Very high	97.1	Very high	138 Å²	138	55.9 Å²	55.9	74%	0.738	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-5.7	178.8	-54.6	-58.1	0	0	0	113.4	S112	S112-D114 VanDerWaalsContact C-N 3.26Å; S112-D114 PolarHBondContact O-N 2.95Å; S112-D114 PolarHBondContact OG-N 3.07Å
115	G	93.6	Very high	97.1	Very high	21 Å²	21	52.7 Å²	52.7	22%	0.216	29%	0.285	C	S	.	.			trans	-71.1	126	179.4	0	0	0	0	0	113.6	S37 P39 S112 E113 H117	S37-G115 PolarHBondContact OG-O 3.11Å; P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.31Å; S112-G115 PolarHBondContact O-N 2.94Å; E113-G115 PolarHBondContact O-N 3.16Å; G115-H117 PolarHBondContact O-CD2 3.47Å
116	S	97.4	Very high	97.1	Very high	82 Å²	82	53.5 Å²	53.5	57%	0.573	29%	0.29	S	S	*	.			trans	-78.1	124.5	160.7	-174.4	0	0	0	0	108.4	S37	S37-S116 PolarHBondContact O-OG 3.32Å
117	H	98.4	Very high	97.1	Very high	16 Å²	16	50.8 Å²	50.8	7%	0.074	28%	0.28	C	S	.	.			trans	-131.7	149.3	-174.8	-66.8	-73.3	0	0	0	110.8	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 CarbonylContact C-O 3.57Å; V36-H117 WeakPolarHBondContact CA-O 3.4Å; S37-H117 PolarHBondContact N-O 3.24Å; S37-H117 PolarHBondContact OG-N 2.6Å; S37-H117 PolarHBondContact OG-O 3.46Å; L102-H117 HydrophobicContact CD2-CB 4.31Å; Q111-H117 PolarHBondContact NE2-CE1 3.19Å; Q111-H117 PolarHBondContact NE2-ND1 2.95Å; G115-H117 PolarHBondContact O-CD2 3.47Å; H117-Y142 HydrophobicContact CB-CE2 3.86Å; H117-Y142 WeakPolarHBondContact CB-OH 3.01Å; H117-Y142 VanDerWaalsContact CG-OH 3.27Å; H117-Y142 AromaticContact ND1-CZ 4Å; H117-Y142 PolarHBondContact ND1-OH 3.2Å; H117-D143 WeakPolarHBondContact CA-OD1 3.48Å; H117-D143 WeakPolarHBondContact CB-OD1 3.45Å; H117-D143 IonicContact CE1-OD2 3.42Å; H117-D143 IonicContact CG-OD1 3.5Å; H117-D143 IonicContact CG-OD2 3.84Å; H117-D143 IonicContact ND1-OD1 3.51Å; H117-D143 PolarHBondContact ND1-OD1 3.42Å; H117-D143 IonicContact ND1-OD2 3.71Å; H117-D143 PolarHBondContact ND1-OD2 3.43Å
118	T	98.8	Very high	96.9	Very high	38 Å²	38	49.1 Å²	49.1	23%	0.233	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.3	-174.2	-61.9	0	0	0	0	110.5	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.27Å; S35-T118 WeakPolarHBondContact O-CA 3.22Å; V36-T118 HydrophobicContact CG2-CG2 4.28Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; T118-Y142 CarbonylContact O-C 3.55Å; T118-Y142 WeakPolarHBondContact O-CA 3.35Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.36Å; T118-D143 PolarHBondContact N-OD1 3.34Å; T118-D143 PolarHBondContact O-N 3.03Å
119	L	98.8	Very high	96.4	Very high	11 Å²	11	51 Å²	51	6%	0.058	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.2	169	172.3	60.5	0	0	0	108.4	S35 D98 L102 L105	S35-L119 PolarHBondContact N-O 2.78Å; S35-L119 PolarHBondContact O-N 3.32Å; D98-L119 HydrophobicContact CB-CD2 4.16Å; L102-L119 HydrophobicContact CD2-CB 3.63Å; L102-L119 HydrophobicContact CG-CB 4.04Å; L102-L119 HydrophobicContact CG-CD2 4.46Å; L105-L119 HydrophobicContact CD1-CD1 3.97Å; L105-L119 HydrophobicContact CD1-CD2 4.19Å; L105-L119 HydrophobicContact CD1-CG 4.48Å
120	Q	98.8	Very high	95.9	Very high	79 Å²	79	52.1 Å²	52.1	37%	0.369	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.3	175.1	-72.2	166.6	-88.6	0	0	109.8	Y33 T34 T118 S140 A141	Y33-Q120 CarbonylContact O-C 3.57Å; Y33-Q120 VanDerWaalsContact O-CA 3.29Å; Y33-Q120 WeakPolarHBondContact O-CA 3.38Å; T34-Q120 HydrophobicContact CG2-CG 4.05Å; T118-Q120 HydrophobicContact CG2-CG 3.95Å; Q120-S140 CarbonylContact O-C 3.49Å; Q120-S140 WeakPolarHBondContact O-CA 3.28Å; Q120-S140 WeakPolarHBondContact O-CB 3.13Å; Q120-A141 HydrophobicContact CB-CB 4.41Å; Q120-A141 PolarHBondContact N-O 2.74Å; Q120-A141 PolarHBondContact O-N 2.66Å
121	R	98.5	Very high	95.5	Very high	48 Å²	48	45.9 Å²	45.9	18%	0.181	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	133.8	172.8	179.2	170.1	169.9	-136.7	2	110.6	F32 Y33 Q94 D138 Q139 S140	F32-R121 WeakPolarHBondContact CA-O 3.45Å; Y33-R121 HydrophobicContact CD2-CB 4.22Å; Y33-R121 HydrophobicContact CD2-CG 4.28Å; Y33-R121 PolarHBondContact N-O 3.13Å; Y33-R121 PolarHBondContact O-N 3Å; Q94-R121 VanDerWaalsContact CD-NH1 3.3Å; R121-D138 IonicContact CZ-OD1 2.68Å; R121-D138 IonicContact CZ-OD2 3.69Å; R121-D138 IonicContact NE-OD1 2.75Å; R121-D138 PolarHBondContact NE-OD1 3.31Å; R121-D138 IonicContact NE-OD2 3.05Å; R121-D138 PolarHBondContact NE-OD2 2.63Å; R121-D138 IonicContact NH2-OD1 2.79Å; R121-D138 PolarHBondContact NH2-OD1 2.87Å; R121-D138 IonicContact NH2-OD2 3.33Å; R121-Q139 CarbonylContact C-O 3.57Å; R121-Q139 VanDerWaalsContact CA-O 3.29Å; R121-Q139 WeakPolarHBondContact CA-O 3.41Å; R121-S140 WeakPolarHBondContact CG-OG 3.3Å
122	M	98.6	Very high	95.4	Very high	22 Å²	22	51.1 Å²	51.1	11%	0.108	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.3	170.1	-171	-78.4	-71.6	0	0	108.3	R30 Y31 F32 Y137 D138 Q139	R30-M122 HydrophobicContact CB-SD 4.5Å; Y31-M122 WeakPolarHBondContact O-CA 3.1Å; F32-M122 HydrophobicContact CD1-CB 4.01Å; F32-M122 HydrophobicContact CD1-CG 3.62Å; F32-M122 HydrophobicContact CE1-CB 4.18Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CG-CG 4.4Å; F32-M122 HydrophobicContact CZ-CG 4.02Å; M122-Y137 HydrophobicContact CE-CD1 3.68Å; M122-Y137 HydrophobicContact CE-CE1 4.42Å; M122-Y137 HydrophobicContact CE-CG 3.83Å; M122-Y137 HydrophobicContact SD-CG 4.47Å; M122-D138 WeakPolarHBondContact O-CA 3.43Å; M122-Q139 HydrophobicContact CB-CG 4.16Å; M122-Q139 HydrophobicContact CE-CG 4.12Å; M122-Q139 PolarHBondContact N-O 2.98Å; M122-Q139 PolarHBondContact O-N 3.46Å
123	S	97.9	Very high	95.4	Very high	5 Å²	5	50 Å²	50	4%	0.035	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	145.4	171.6	-177.3	0	0	0	0	110.7	Y31 Y137	Y31-S123 PolarHBondContact N-O 3.27Å; Y31-S123 PolarHBondContact O-N 3.32Å; S123-Y137 WeakPolarHBondContact CA-O 3.42Å; S123-Y137 WeakPolarHBondContact CB-O 3.38Å; S123-Y137 PolarHBondContact OG-O 3.31Å
124	G	98.2	Very high	95.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.4	180	-171.5	0	0	0	0	0	113.6	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.21Å; G124-Y137 PolarHBondContact N-O 3.36Å; G124-Y137 VanDerWaalsContact N-O 3.11Å; G124-Y137 PolarHBondContact O-N 3.4Å; G124-L184 WeakPolarHBondContact O-CD2 3.4Å
125	C	98.4	Very high	95.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.1	-179.2	52.9	0	0	0	0	110.8	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.38Å; S28-C125 WeakPolarHBondContact CA-O 3.49Å; M29-C125 PolarHBondContact N-O 3.05Å; M29-C125 PolarHBondContact O-N 3.02Å; C125-L133 HydrophobicContact CB-CD1 3.53Å; C125-R135 WeakPolarHBondContact CA-O 3.46Å; C125-C188 HydrophobicContact CB-CB 3.85Å; C125-C188 WeakPolarHBondContact CB-SG 3.4Å; C125-C188 PolarHBondContact N-SG 3.33Å; C125-C188 WeakPolarHBondContact SG-CB 3.43Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 3.22Å
126	D	97.8	Very high	96.1	Very high	21 Å²	21	46.5 Å²	46.5	11%	0.112	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.8	173.7	-59	-4.9	0	0	0	109	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.5Å; H27-D126 WeakPolarHBondContact O-CA 3.22Å; S28-D126 WeakPolarHBondContact CB-OD1 3.48Å; R30-D126 IonicContact CZ-OD1 3.44Å; R30-D126 VanDerWaalsContact CZ-OD1 3.22Å; R30-D126 IonicContact CZ-OD2 3.84Å; R30-D126 IonicContact NE-OD1 3.26Å; R30-D126 PolarHBondContact NE-OD1 2.92Å; R30-D126 IonicContact NH2-OD1 2.74Å; R30-D126 PolarHBondContact NH2-OD1 2.91Å; R30-D126 IonicContact NH2-OD2 3.85Å; R30-D126 PolarHBondContact NH2-OD2 3.45Å; D126-L134 PolarHBondContact O-N 3.21Å; D126-R135 HydrophobicContact CB-CB 4.49Å; D126-R135 PolarHBondContact N-O 3.13Å; D126-R135 PolarHBondContact O-N 3.47Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.5Å; D126-Y137 PolarHBondContact OD2-OH 2.82Å
127	L	96.5	Very high	96.1	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.5	175.5	-54.4	-177.5	0	0	0	110.3	S26 H27 R132 V189 L192 R193 L196	S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.44Å; S26-L127 WeakPolarHBondContact CB-O 3.33Å; H27-L127 PolarHBondContact N-O 2.88Å; H27-L127 PolarHBondContact O-N 3.2Å; L127-R132 CarbonylContact C-O 3.59Å; L127-R132 WeakPolarHBondContact CA-O 3.49Å; L127-V189 HydrophobicContact CD2-CB 4.18Å; L127-V189 HydrophobicContact CD2-CG1 3.82Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L127-L192 HydrophobicContact CD1-CB 4.41Å; L127-L192 HydrophobicContact CD1-CD2 3.8Å; L127-L192 HydrophobicContact CD1-CG 3.79Å; L127-L192 HydrophobicContact CD2-CD2 4.42Å; L127-L192 HydrophobicContact CG-CD2 3.62Å; L127-L192 HydrophobicContact CG-CG 4.21Å; L127-R193 HydrophobicContact CD1-CG 3.9Å; L127-L196 HydrophobicContact CD1-CD1 4.45Å
128	G	93.1	Very high	96.1	Very high	9 Å²	9	43.9 Å²	43.9	9%	0.093	22%	0.22	C	C	.	.			trans	-72.4	174.6	164.4	0	0	0	0	0	112	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.99Å; G128-D130 VanDerWaalsContact O-N 3.15Å; G128-G131 WeakPolarHBondContact O-CA 3.32Å; G128-G131 PolarHBondContact O-N 3.44Å; G128-R132 PolarHBondContact N-O 2.98Å
129	P	88.6	Confident	96.1	Very high	91 Å²	91	45.5 Å²	45.5	59%	0.591	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.1	-178.6	-19.2	31.6	0	0	0	113.9	A24 G131	A24-P129 HydrophobicContact CB-CB 3.91Å; A24-P129 HydrophobicContact CB-CG 3.38Å; A24-P129 WeakPolarHBondContact O-CG 3.41Å; P129-G131 PolarHBondContact O-N 2.84Å
130	D	88.4	Confident	96.1	Very high	94 Å²	94	46 Å²	46	50%	0.503	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	6.1	171.6	75.5	-15.2	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 2.99Å; G128-D130 VanDerWaalsContact O-N 3.15Å; D130-R132 PolarHBondContact O-N 2.83Å; D130-R132 VanDerWaalsContact OD1-CB 3.29Å; D130-R132 WeakPolarHBondContact OD1-CB 3.37Å; D130-R132 WeakPolarHBondContact OD1-CG 3.32Å; D130-R132 PolarHBondContact OD1-N 3.15Å; D130-R132 WeakPolarHBondContact OD2-CD 3.17Å; D130-R132 WeakPolarHBondContact OD2-CG 3.27Å; D130-R132 IonicContact OD2-CZ 2.68Å; D130-R132 VanDerWaalsContact OD2-CZ 3.26Å; D130-R132 IonicContact OD2-NE 2.94Å; D130-R132 PolarHBondContact OD2-NE 3.5Å; D130-R132 IonicContact OD2-NH1 3.08Å; D130-R132 PolarHBondContact OD2-NH1 2.78Å
131	G	88.7	Confident	96.1	Very high	20 Å²	20	43.1 Å²	43.1	21%	0.206	22%	0.219	C	C	.	.	S	Bend	trans	70.3	9.6	-179.1	0	0	0	0	0	114.6	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.32Å; G128-G131 PolarHBondContact O-N 3.44Å; P129-G131 PolarHBondContact O-N 2.84Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 3.37Å; G131-R193 PolarHBondContact O-NH2 2.87Å
132	R	93.6	Very high	96.1	Very high	169 Å²	169	41.3 Å²	41.3	64%	0.638	21%	0.212	S	C	*	.	S	Bend	trans	-90	157.6	177.1	-59.3	-174.6	-173.6	134.2	-7.8	111.5	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.59Å; L127-R132 WeakPolarHBondContact CA-O 3.49Å; G128-R132 PolarHBondContact N-O 2.98Å; D130-R132 PolarHBondContact O-N 2.83Å; D130-R132 VanDerWaalsContact OD1-CB 3.29Å; D130-R132 WeakPolarHBondContact OD1-CB 3.37Å; D130-R132 WeakPolarHBondContact OD1-CG 3.32Å; D130-R132 PolarHBondContact OD1-N 3.15Å; D130-R132 WeakPolarHBondContact OD2-CD 3.17Å; D130-R132 WeakPolarHBondContact OD2-CG 3.27Å; D130-R132 IonicContact OD2-CZ 2.68Å; D130-R132 VanDerWaalsContact OD2-CZ 3.26Å; D130-R132 IonicContact OD2-NE 2.94Å; D130-R132 PolarHBondContact OD2-NE 3.5Å; D130-R132 IonicContact OD2-NH1 3.08Å; D130-R132 PolarHBondContact OD2-NH1 2.78Å; R132-L134 PolarHBondContact O-N 3.13Å; R132-L134 VanDerWaalsContact O-N 3.12Å
133	L	96.5	Very high	96.1	Very high	51 Å²	51	43.2 Å²	43.2	27%	0.267	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	117.2	174.4	-174.1	74.7	0	0	0	110.2	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.53Å; L133-R135 VanDerWaalsContact CD1-O 3.27Å; L133-R135 WeakPolarHBondContact CD1-O 3.49Å; L133-L154 HydrophobicContact CD2-CD1 4.08Å; L133-E185 HydrophobicContact CD2-CB 4.48Å; L133-E185 HydrophobicContact CD2-CG 3.76Å; L133-V189 HydrophobicContact CB-CG2 3.99Å; L133-V189 HydrophobicContact CD1-CG2 4.04Å
134	L	96.1	Very high	96	Very high	120 Å²	120	45.9 Å²	45.9	63%	0.628	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	-44.3	169.2	178.2	62.2	0	0	0	110.2	D126 R132	D126-L134 PolarHBondContact O-N 3.21Å; R132-L134 PolarHBondContact O-N 3.13Å; R132-L134 VanDerWaalsContact O-N 3.12Å
135	R	96.4	Very high	96.1	Very high	90 Å²	90	53.5 Å²	53.5	34%	0.34	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	144.4	-177.3	-171.1	164.2	172.2	131.5	9.8	111.9	C125 D126 L133 Y137 E152	C125-R135 WeakPolarHBondContact CA-O 3.46Å; D126-R135 HydrophobicContact CB-CB 4.49Å; D126-R135 PolarHBondContact N-O 3.13Å; D126-R135 PolarHBondContact O-N 3.47Å; L133-R135 VanDerWaalsContact CD1-O 3.27Å; L133-R135 WeakPolarHBondContact CD1-O 3.49Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-OH 3.26Å; R135-Y137 WeakPolarHBondContact CD-OH 3.35Å; R135-Y137 HydrophobicContact CG-CD2 4.33Å; R135-Y137 HydrophobicContact CG-CE1 4.37Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 PolarHBondContact NE-OH 3.44Å; R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 IonicContact CZ-OE1 3.56Å; R135-E152 IonicContact NH1-OE1 2.75Å; R135-E152 PolarHBondContact NH1-OE1 3.42Å; R135-E152 IonicContact NH1-OE2 3.5Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 IonicContact NH2-OE1 2.69Å; R135-E152 PolarHBondContact NH2-OE1 3.27Å
136	G	97.9	Very high	96.1	Very high	6 Å²	6	59.1 Å²	59.1	6%	0.062	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	153	170.9	0	0	0	0	0	111.4
137	Y	97.8	Very high	96.1	Very high	38 Å²	38	58.5 Å²	58.5	15%	0.149	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.4	-176	-60.5	-97.8	0	0	0	111.9	R30 M122 S123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CE2 3.31Å; R30-Y137 PolarHBondContact NH2-OH 2.8Å; M122-Y137 HydrophobicContact CE-CD1 3.68Å; M122-Y137 HydrophobicContact CE-CE1 4.42Å; M122-Y137 HydrophobicContact CE-CG 3.83Å; M122-Y137 HydrophobicContact SD-CG 4.47Å; S123-Y137 WeakPolarHBondContact CA-O 3.42Å; S123-Y137 WeakPolarHBondContact CB-O 3.38Å; S123-Y137 PolarHBondContact OG-O 3.31Å; G124-Y137 PolarHBondContact N-O 3.36Å; G124-Y137 VanDerWaalsContact N-O 3.11Å; G124-Y137 PolarHBondContact O-N 3.4Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.5Å; D126-Y137 PolarHBondContact OD2-OH 2.82Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-OH 3.26Å; R135-Y137 WeakPolarHBondContact CD-OH 3.35Å; R135-Y137 HydrophobicContact CG-CD2 4.33Å; R135-Y137 HydrophobicContact CG-CE1 4.37Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 PolarHBondContact NE-OH 3.44Å
138	D	98.4	Very high	96.2	Very high	6 Å²	6	58.8 Å²	58.8	3%	0.032	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	106.8	157.6	-163.9	152	0	0	0	108.5	R121 M122 L150 L180	R121-D138 IonicContact CZ-OD1 2.68Å; R121-D138 IonicContact CZ-OD2 3.69Å; R121-D138 IonicContact NE-OD1 2.75Å; R121-D138 PolarHBondContact NE-OD1 3.31Å; R121-D138 IonicContact NE-OD2 3.05Å; R121-D138 PolarHBondContact NE-OD2 2.63Å; R121-D138 IonicContact NH2-OD1 2.79Å; R121-D138 PolarHBondContact NH2-OD1 2.87Å; R121-D138 IonicContact NH2-OD2 3.33Å; M122-D138 WeakPolarHBondContact O-CA 3.43Å; D138-L150 HydrophobicContact CB-CB 4.07Å; D138-L150 HydrophobicContact CB-CD2 4.22Å; D138-L150 WeakPolarHBondContact O-CB 3.5Å; D138-L150 PolarHBondContact O-N 3.12Å; D138-L180 HydrophobicContact CB-CD1 4.3Å; D138-L180 VanDerWaalsContact OD1-CD1 3.31Å; D138-L180 WeakPolarHBondContact OD1-CD1 3.34Å; D138-L180 WeakPolarHBondContact OD1-CD2 3.38Å
139	Q	98.6	Very high	96.5	Very high	72 Å²	72	59.8 Å²	59.8	34%	0.336	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.7	-177.2	64.3	-168.6	78.6	0	0	110.9	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.57Å; R121-Q139 VanDerWaalsContact CA-O 3.29Å; R121-Q139 WeakPolarHBondContact CA-O 3.41Å; M122-Q139 HydrophobicContact CB-CG 4.16Å; M122-Q139 HydrophobicContact CE-CG 4.12Å; M122-Q139 PolarHBondContact N-O 2.98Å; M122-Q139 PolarHBondContact O-N 3.46Å; Q139-I148 WeakPolarHBondContact CA-O 3.2Å; Q139-A149 HydrophobicContact CB-CB 3.84Å
140	S	98.7	Very high	97	Very high	20 Å²	20	56.1 Å²	56.1	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.6	-179.6	-56.4	0	0	0	0	111.4	Q120 R121 Y147 I148	Q120-S140 CarbonylContact O-C 3.49Å; Q120-S140 WeakPolarHBondContact O-CA 3.28Å; Q120-S140 WeakPolarHBondContact O-CB 3.13Å; R121-S140 WeakPolarHBondContact CG-OG 3.3Å; S140-Y147 WeakPolarHBondContact O-CA 3.36Å; S140-Y147 WeakPolarHBondContact O-CB 3.42Å; S140-Y147 PolarHBondContact O-N 2.69Å; S140-I148 PolarHBondContact N-O 2.81Å; S140-I148 PolarHBondContact O-N 2.81Å; S140-I148 VanDerWaalsContact O-N 3.12Å
141	A	98.8	Very high	97.5	Very high	19 Å²	19	53.7 Å²	53.7	16%	0.157	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.1	177.8	0	0	0	0	0	110.3	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.41Å; Q120-A141 PolarHBondContact N-O 2.74Å; Q120-A141 PolarHBondContact O-N 2.66Å; A141-K145 CarbonylContact C-O 3.49Å; A141-K145 WeakPolarHBondContact CA-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.41Å
142	Y	98.8	Very high	97.9	Very high	11 Å²	11	59.2 Å²	59.2	4%	0.043	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.1	179	-173.3	-124.1	0	0	0	110.7	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 3.97Å; L105-Y142 HydrophobicContact CB-CD1 4.23Å; L105-Y142 HydrophobicContact CB-CD2 4.27Å; L105-Y142 HydrophobicContact CB-CE1 3.82Å; L105-Y142 HydrophobicContact CB-CE2 3.9Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.68Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.08Å; L105-Y142 HydrophobicContact CD2-CD1 4.41Å; L105-Y142 HydrophobicContact CD2-CG 4.36Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; Y109-Y142 AromaticContact CD2-CD1 3.74Å; Y109-Y142 HydrophobicContact CD2-CD1 3.74Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CG-CE1 4.48Å; Q111-Y142 PolarHBondContact OE1-OH 3.04Å; H117-Y142 HydrophobicContact CB-CE2 3.86Å; H117-Y142 WeakPolarHBondContact CB-OH 3.01Å; H117-Y142 VanDerWaalsContact CG-OH 3.27Å; H117-Y142 AromaticContact ND1-CZ 4Å; H117-Y142 PolarHBondContact ND1-OH 3.2Å; T118-Y142 CarbonylContact O-C 3.55Å; T118-Y142 WeakPolarHBondContact O-CA 3.35Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.36Å; Y142-G144 PolarHBondContact O-N 2.72Å; Y142-G144 VanDerWaalsContact O-N 3.13Å; Y142-K145 PolarHBondContact N-O 2.93Å; Y142-K145 PolarHBondContact O-N 2.94Å
143	D	98.4	Very high	98.1	Very high	62 Å²	62	54.6 Å²	54.6	33%	0.332	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	40.5	-174.5	-65	-20.6	0	0	0	113.2	Q111 H117 T118	Q111-D143 PolarHBondContact NE2-OD2 3.39Å; Q111-D143 VanDerWaalsContact NE2-OD2 3.15Å; H117-D143 WeakPolarHBondContact CA-OD1 3.48Å; H117-D143 WeakPolarHBondContact CB-OD1 3.45Å; H117-D143 IonicContact CE1-OD2 3.42Å; H117-D143 IonicContact CG-OD1 3.5Å; H117-D143 IonicContact CG-OD2 3.84Å; H117-D143 IonicContact ND1-OD1 3.51Å; H117-D143 PolarHBondContact ND1-OD1 3.42Å; H117-D143 IonicContact ND1-OD2 3.71Å; H117-D143 PolarHBondContact ND1-OD2 3.43Å; T118-D143 PolarHBondContact N-OD1 3.34Å; T118-D143 PolarHBondContact O-N 3.03Å
144	G	97.5	Very high	98.1	Very high	60 Å²	60	52.5 Å²	52.5	62%	0.619	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	11.5	178.1	0	0	0	0	0	115.9	Y142	Y142-G144 PolarHBondContact O-N 2.72Å; Y142-G144 VanDerWaalsContact O-N 3.13Å
145	K	98.6	Very high	98.2	Very high	161 Å²	161	54.4 Å²	54.4	70%	0.7	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	147.3	178.6	-60.4	177.4	-175.9	175.8	0	111.1	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.49Å; A141-K145 WeakPolarHBondContact CA-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.41Å; Y142-K145 PolarHBondContact N-O 2.93Å; Y142-K145 PolarHBondContact O-N 2.94Å; K145-Y147 PolarHBondContact O-N 3.06Å
146	D	98.7	Very high	98.3	Very high	117 Å²	117	52.2 Å²	52.2	63%	0.626	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.9	136.6	173.7	-65.6	-52.4	0	0	0	111.3	A160	D146-A160 WeakPolarHBondContact O-CB 3.17Å
147	Y	98.8	Very high	98.3	Very high	8 Å²	8	52.8 Å²	52.8	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-60	179.5	178.6	-107.5	0	0	0	110.3	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.22Å; L105-Y147 HydrophobicContact CD2-CD2 3.97Å; L105-Y147 HydrophobicContact CD2-CE1 3.7Å; L105-Y147 HydrophobicContact CD2-CE2 3.42Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.42Å; L105-Y147 HydrophobicContact CD2-CG 4.35Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.44Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.4Å; S140-Y147 WeakPolarHBondContact O-CA 3.36Å; S140-Y147 WeakPolarHBondContact O-CB 3.42Å; S140-Y147 PolarHBondContact O-N 2.69Å; K145-Y147 PolarHBondContact O-N 3.06Å; Y147-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 PolarHBondContact O-N 2.74Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; Y147-A163 PolarHBondContact OH-O 2.85Å; Y147-A163 VanDerWaalsContact OH-O 3.06Å; Y147-A164 HydrophobicContact CD2-CB 3.86Å; Y147-A164 VanDerWaalsContact CE2-CA 3.45Å; Y147-A164 HydrophobicContact CE2-CB 3.72Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 VanDerWaalsContact CZ-CA 3.48Å; Y147-A164 WeakPolarHBondContact O-CB 3.18Å; Y147-T167 HydrophobicContact CE1-CG2 4.15Å; Y147-T167 WeakPolarHBondContact OH-CB 3.26Å; Y147-T167 PolarHBondContact OH-OG1 3.11Å
148	I	98.7	Very high	98.4	Very high	11 Å²	11	54.9 Å²	54.9	6%	0.056	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	140.5	179.2	-160.5	170.6	0	0	0	111.3	Q139 S140 W157 T158 A159 T167 Q168 L171	Q139-I148 WeakPolarHBondContact CA-O 3.2Å; S140-I148 PolarHBondContact N-O 2.81Å; S140-I148 PolarHBondContact O-N 2.81Å; S140-I148 VanDerWaalsContact O-N 3.12Å; I148-W157 HydrophobicContact CD1-CB 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.19Å; I148-W157 HydrophobicContact CG1-CB 4.48Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; I148-T158 WeakPolarHBondContact CA-O 3.34Å; I148-T158 WeakPolarHBondContact CG1-O 3.33Å; I148-A159 HydrophobicContact CG1-CB 4.49Å; I148-T167 HydrophobicContact CD1-CG2 4.11Å; I148-Q168 HydrophobicContact CD1-CB 3.9Å; I148-L171 HydrophobicContact CD1-CD1 3.87Å
149	A	98.8	Very high	98.4	Very high	29 Å²	29	55.7 Å²	55.7	24%	0.24	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.3	177.1	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.84Å; A149-W157 CarbonylContact O-C 3.54Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; A149-T158 PolarHBondContact N-O 2.78Å; A149-T158 PolarHBondContact O-N 2.8Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130	164.8	-176.1	68.7	0	0	0	108.3	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 4.07Å; D138-L150 HydrophobicContact CB-CD2 4.22Å; D138-L150 WeakPolarHBondContact O-CB 3.5Å; D138-L150 PolarHBondContact O-N 3.12Å; L150-L154 HydrophobicContact CD2-CD2 3.82Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; L150-W157 HydrophobicContact CB-CE3 4.12Å; L150-W157 HydrophobicContact CB-CH2 4.21Å; L150-W157 HydrophobicContact CB-CZ3 3.81Å; L150-W157 HydrophobicContact CD1-CD2 4.27Å; L150-W157 HydrophobicContact CD1-CE3 4.4Å; L150-W157 HydrophobicContact CD1-CH2 4.11Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.33Å; L150-A177 HydrophobicContact CD1-CB 3.86Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å
151	N	98.5	Very high	98.4	Very high	42 Å²	42	56.8 Å²	56.8	23%	0.225	32%	0.316	C	S	.	.			trans	-76.4	165.3	-178.5	-66.2	-23.4	0	0	0	111.7	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.21Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 WeakPolarHBondContact O-CA 3.46Å; N151-L154 PolarHBondContact O-N 2.87Å; N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 PolarHBondContact N-O 2.88Å; N151-S156 PolarHBondContact ND2-OG 2.86Å; N151-T158 WeakPolarHBondContact OD1-CB 3.45Å; N151-T158 PolarHBondContact OD1-N 2.86Å; N151-T158 PolarHBondContact OD1-OG1 2.84Å
152	E	97.4	Very high	98.3	Very high	136 Å²	136	61.1 Å²	61.1	64%	0.636	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.8	-178.1	-62.1	177.9	-162.6	0	0	113.9	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 IonicContact CZ-OE1 3.56Å; R135-E152 IonicContact NH1-OE1 2.75Å; R135-E152 PolarHBondContact NH1-OE1 3.42Å; R135-E152 IonicContact NH1-OE2 3.5Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 IonicContact NH2-OE1 2.69Å; R135-E152 PolarHBondContact NH2-OE1 3.27Å; E152-L154 PolarHBondContact O-N 2.91Å
153	D	97.4	Very high	98.3	Very high	72 Å²	72	60.9 Å²	60.9	39%	0.385	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-8.3	172.1	70.9	-2.2	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.21Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-R155 HydrophobicContact CB-CB 4.5Å; D153-R155 WeakPolarHBondContact O-CD 3.3Å; D153-R155 VanDerWaalsContact O-CG 3.27Å; D153-R155 WeakPolarHBondContact O-CG 3.46Å; D153-R155 PolarHBondContact O-N 2.97Å; D153-R155 PolarHBondContact OD1-N 3.4Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 2.97Å; D153-S156 PolarHBondContact OD1-OG 3.24Å; D153-S156 WeakPolarHBondContact OD2-CB 3.29Å; D153-S156 PolarHBondContact OD2-N 3.13Å; D153-S156 PolarHBondContact OD2-OG 3.12Å
154	L	98	Very high	98.3	Very high	8 Å²	8	58 Å²	58	4%	0.042	33%	0.325	C	S	.	.	S	Bend	trans	52.2	30.6	-173.1	-54.6	-178.7	0	0	0	113.4	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.08Å; L150-L154 HydrophobicContact CD2-CD2 3.82Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; N151-L154 WeakPolarHBondContact O-CA 3.46Å; N151-L154 PolarHBondContact O-N 2.87Å; E152-L154 PolarHBondContact O-N 2.91Å; L154-R181 HydrophobicContact CB-CB 4Å; L154-R181 HydrophobicContact CB-CG 3.73Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; L154-R181 WeakPolarHBondContact O-CD 3.21Å; L154-L184 HydrophobicContact CD1-CB 4.47Å; L154-L184 HydrophobicContact CD2-CD1 4Å; L154-E185 HydrophobicContact CD1-CG 4.17Å
155	R	97.6	Very high	98.4	Very high	160 Å²	160	58.5 Å²	58.5	60%	0.604	31%	0.312	S	S	*	.	S	Bend	trans	-137.9	-37.8	-172.5	-69.7	160.5	-176.9	-86.5	5.1	113.3	D153 A177	D153-R155 HydrophobicContact CB-CB 4.5Å; D153-R155 WeakPolarHBondContact O-CD 3.3Å; D153-R155 VanDerWaalsContact O-CG 3.27Å; D153-R155 WeakPolarHBondContact O-CG 3.46Å; D153-R155 PolarHBondContact O-N 2.97Å; D153-R155 PolarHBondContact OD1-N 3.4Å; R155-A177 WeakPolarHBondContact O-CB 3.32Å
156	S	97.9	Very high	98.3	Very high	44 Å²	44	53.7 Å²	53.7	31%	0.308	29%	0.293	S	S	.	.			trans	-108.5	166.4	-178.6	62.7	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 PolarHBondContact N-O 2.88Å; N151-S156 PolarHBondContact ND2-OG 2.86Å; D153-S156 VanDerWaalsContact CG-OG 3.22Å; D153-S156 PolarHBondContact OD1-N 2.97Å; D153-S156 PolarHBondContact OD1-OG 3.24Å; D153-S156 WeakPolarHBondContact OD2-CB 3.29Å; D153-S156 PolarHBondContact OD2-N 3.13Å; D153-S156 PolarHBondContact OD2-OG 3.12Å
157	W	98.7	Very high	98.3	Very high	18 Å²	18	49.6 Å²	49.6	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.9	-175.8	-62.1	91.6	0	0	0	111	I148 A149 L150 Q168 L171 A176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.19Å; I148-W157 HydrophobicContact CG1-CB 4.48Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; A149-W157 CarbonylContact O-C 3.54Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; L150-W157 HydrophobicContact CB-CE3 4.12Å; L150-W157 HydrophobicContact CB-CH2 4.21Å; L150-W157 HydrophobicContact CB-CZ3 3.81Å; L150-W157 HydrophobicContact CD1-CD2 4.27Å; L150-W157 HydrophobicContact CD1-CE3 4.4Å; L150-W157 HydrophobicContact CD1-CH2 4.11Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.33Å; W157-Q168 HydrophobicContact CB-CG 4.11Å; W157-L171 HydrophobicContact CD2-CD1 4.03Å; W157-L171 HydrophobicContact CE3-CD1 4.03Å; W157-L171 HydrophobicContact CH2-CD1 3.81Å; W157-L171 HydrophobicContact CZ2-CB 4.11Å; W157-L171 HydrophobicContact CZ2-CD1 3.8Å; W157-L171 HydrophobicContact CZ2-CG 4.4Å; W157-L171 HydrophobicContact CZ3-CD1 3.93Å; W157-A176 HydrophobicContact CZ2-CB 4.32Å; W157-A177 HydrophobicContact CZ2-CB 4.29Å; W157-L180 HydrophobicContact CH2-CD1 3.48Å; W157-L180 VanDerWaalsContact CH2-CD1 3.48Å; W157-L180 HydrophobicContact CZ2-CD1 3.91Å
158	T	98.7	Very high	98.3	Very high	81 Å²	81	51 Å²	51	50%	0.497	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.8	164.7	-65.8	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.34Å; I148-T158 WeakPolarHBondContact CG1-O 3.33Å; A149-T158 PolarHBondContact N-O 2.78Å; A149-T158 PolarHBondContact O-N 2.8Å; N151-T158 WeakPolarHBondContact OD1-CB 3.45Å; N151-T158 PolarHBondContact OD1-N 2.86Å; N151-T158 PolarHBondContact OD1-OG1 2.84Å
159	A	98.7	Very high	98.3	Very high	23 Å²	23	57 Å²	57	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.5	176.3	0	0	0	0	0	110	I148 A164 Q165 Q168	I148-A159 HydrophobicContact CG1-CB 4.49Å; A159-A164 HydrophobicContact CB-CB 3.67Å; A159-Q165 HydrophobicContact CB-CG 4.1Å; A159-Q168 HydrophobicContact CB-CB 4.35Å
160	A	98.5	Very high	98.3	Very high	63 Å²	63	61 Å²	61	52%	0.521	31%	0.313	S	S	.	.	S	Bend	trans	-71.6	-31.1	-174.4	0	0	0	0	0	113.7	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.17Å; Y147-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 PolarHBondContact O-N 2.74Å
161	D	98.3	Very high	98.2	Very high	53 Å²	53	62.3 Å²	62.3	28%	0.283	32%	0.32	S	S	.	.	S	Bend	trans	-148.8	-174.2	-178.3	70.1	29.8	0	0	0	113.9	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.45Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.28Å; Y109-D161 PolarHBondContact OH-OD1 3.08Å; Y109-D161 PolarHBondContact OH-OD2 3.49Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.14Å; D161-A163 WeakPolarHBondContact OD1-CA 3.46Å; D161-A163 WeakPolarHBondContact OD1-CB 3.48Å; D161-A163 PolarHBondContact OD1-N 2.85Å; D161-A164 WeakPolarHBondContact O-CB 3.24Å; D161-A164 PolarHBondContact O-N 3.27Å; D161-A164 PolarHBondContact OD1-N 2.95Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 2.87Å
162	T	98.2	Very high	98.2	Very high	110 Å²	110	64.6 Å²	64.6	68%	0.675	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.3	-179.1	50.6	0	0	0	0	114.5
163	A	98.1	Very high	98.3	Very high	6 Å²	6	62.4 Å²	62.4	5%	0.05	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-39.4	172.6	0	0	0	0	0	110.8	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.35Å; Y109-A163 HydrophobicContact CD1-CB 4.25Å; Y109-A163 HydrophobicContact CE1-CB 3.72Å; Y109-A163 HydrophobicContact CE2-CB 4.02Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; Y147-A163 PolarHBondContact OH-O 2.85Å; Y147-A163 VanDerWaalsContact OH-O 3.06Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.14Å; D161-A163 WeakPolarHBondContact OD1-CA 3.46Å; D161-A163 WeakPolarHBondContact OD1-CB 3.48Å; D161-A163 PolarHBondContact OD1-N 2.85Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.69Å; A163-I166 VanDerWaalsContact O-CB 3.3Å; A163-I166 WeakPolarHBondContact O-CB 3.16Å; A163-I166 PolarHBondContact O-N 2.93Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.2	-38.3	171.3	0	0	0	0	0	112.4	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.86Å; Y147-A164 VanDerWaalsContact CE2-CA 3.45Å; Y147-A164 HydrophobicContact CE2-CB 3.72Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 VanDerWaalsContact CZ-CA 3.48Å; Y147-A164 WeakPolarHBondContact O-CB 3.18Å; A159-A164 HydrophobicContact CB-CB 3.67Å; D161-A164 WeakPolarHBondContact O-CB 3.24Å; D161-A164 PolarHBondContact O-N 3.27Å; D161-A164 PolarHBondContact OD1-N 2.95Å; A164-I166 PolarHBondContact O-N 3.45Å; A164-T167 CarbonylContact O-C 3.59Å; A164-T167 WeakPolarHBondContact O-CA 3.47Å; A164-T167 WeakPolarHBondContact O-CB 3.37Å; A164-T167 PolarHBondContact O-N 2.94Å; A164-Q168 PolarHBondContact O-N 2.79Å
165	Q	98.7	Very high	98.3	Very high	71 Å²	71	69 Å²	69	33%	0.332	37%	0.367	S	S	.	.	H	α-helix	trans	-60	-24	172.7	-70.9	174.9	18.8	0	0	113.8	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.1Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 2.87Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.69Å; Q165-R169 WeakPolarHBondContact O-CD 3.44Å; Q165-R169 VanDerWaalsContact O-CG 3.26Å; Q165-R169 WeakPolarHBondContact O-CG 3.26Å; Q165-R169 PolarHBondContact O-N 2.79Å; Q165-R169 PolarHBondContact O-NH1 3.15Å
166	I	98.4	Very high	98.3	Very high	61 Å²	61	62.1 Å²	62.1	31%	0.313	34%	0.344	S	S	.	.	H	α-helix	trans	-70.9	-38.1	173.5	-53.6	173.4	0	0	0	110	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.04Å; Y108-I166 HydrophobicContact CD2-CD1 4.48Å; Y108-I166 HydrophobicContact CE1-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CG2 3.89Å; Y108-I166 HydrophobicContact CE2-CB 4.16Å; Y108-I166 HydrophobicContact CE2-CG2 4.2Å; Y108-I166 HydrophobicContact CG-CD1 4.09Å; A163-I166 VanDerWaalsContact O-CB 3.3Å; A163-I166 WeakPolarHBondContact O-CB 3.16Å; A163-I166 PolarHBondContact O-N 2.93Å; A164-I166 PolarHBondContact O-N 3.45Å; I166-K170 WeakPolarHBondContact O-CG 3.42Å
167	T	98.3	Very high	98.3	Very high	30 Å²	30	60.5 Å²	60.5	18%	0.184	33%	0.333	C	S	.	.	H	α-helix	trans	-71.6	-43.9	173.8	-67.7	0	0	0	0	111.4	Y147 I148 A164 R169 K170 L171	Y147-T167 HydrophobicContact CE1-CG2 4.15Å; Y147-T167 WeakPolarHBondContact OH-CB 3.26Å; Y147-T167 PolarHBondContact OH-OG1 3.11Å; I148-T167 HydrophobicContact CD1-CG2 4.11Å; A164-T167 CarbonylContact O-C 3.59Å; A164-T167 WeakPolarHBondContact O-CA 3.47Å; A164-T167 WeakPolarHBondContact O-CB 3.37Å; A164-T167 PolarHBondContact O-N 2.94Å; T167-R169 PolarHBondContact O-N 2.88Å; T167-K170 WeakPolarHBondContact O-CA 3.37Å; T167-K170 WeakPolarHBondContact O-CB 3.48Å; T167-K170 PolarHBondContact O-N 3.08Å; T167-L171 HydrophobicContact CG2-CD1 3.76Å; T167-L171 HydrophobicContact CG2-CG 4.07Å; T167-L171 WeakPolarHBondContact O-CG 3.39Å; T167-L171 PolarHBondContact O-N 3.29Å
168	Q	98.6	Very high	98.2	Very high	39 Å²	39	65 Å²	65	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-50.4	-55.3	175.5	175	172.2	6.5	0	0	111.9	I148 W157 A159 A164 K170 L171 E172	I148-Q168 HydrophobicContact CD1-CB 3.9Å; W157-Q168 HydrophobicContact CB-CG 4.11Å; A159-Q168 HydrophobicContact CB-CB 4.35Å; A164-Q168 PolarHBondContact O-N 2.79Å; Q168-K170 PolarHBondContact O-N 3.37Å; Q168-K170 VanDerWaalsContact O-N 3.15Å; Q168-L171 PolarHBondContact O-N 3.02Å; Q168-E172 VanDerWaalsContact CG-CD 3.47Å; Q168-E172 HydrophobicContact CG-CG 4.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.44Å; Q168-E172 PolarHBondContact NE2-OE1 3.33Å; Q168-E172 WeakPolarHBondContact O-CB 3.44Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 3.21Å
169	R	98.6	Very high	98.1	Very high	135 Å²	135	68.2 Å²	68.2	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-58	-32.2	179.7	-67.4	168.4	-168.1	117.2	5.5	112.8	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CD 3.44Å; Q165-R169 VanDerWaalsContact O-CG 3.26Å; Q165-R169 WeakPolarHBondContact O-CG 3.26Å; Q165-R169 PolarHBondContact O-N 2.79Å; Q165-R169 PolarHBondContact O-NH1 3.15Å; T167-R169 PolarHBondContact O-N 2.88Å; R169-A173 VanDerWaalsContact O-CB 3.24Å; R169-A173 WeakPolarHBondContact O-CB 3.47Å; R169-A173 PolarHBondContact O-N 2.65Å; R169-A173 VanDerWaalsContact O-N 3.09Å
170	K	98	Very high	98.1	Very high	113 Å²	113	68.6 Å²	68.6	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-73.7	-41.3	175.4	-71	173.9	178.6	-178	0	112	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 2.89Å; I166-K170 WeakPolarHBondContact O-CG 3.42Å; T167-K170 WeakPolarHBondContact O-CA 3.37Å; T167-K170 WeakPolarHBondContact O-CB 3.48Å; T167-K170 PolarHBondContact O-N 3.08Å; Q168-K170 PolarHBondContact O-N 3.37Å; Q168-K170 VanDerWaalsContact O-N 3.15Å; K170-A174 WeakPolarHBondContact O-CB 3.46Å; K170-A174 PolarHBondContact O-N 2.87Å
171	L	98	Very high	98	Very high	43 Å²	43	69.1 Å²	69.1	23%	0.225	35%	0.352	C	S	.	.	H	α-helix	trans	-67.7	-39.4	177	-66.6	173.4	0	0	0	111.9	I148 W157 T167 Q168 A174 R175 A176	I148-L171 HydrophobicContact CD1-CD1 3.87Å; W157-L171 HydrophobicContact CD2-CD1 4.03Å; W157-L171 HydrophobicContact CE3-CD1 4.03Å; W157-L171 HydrophobicContact CH2-CD1 3.81Å; W157-L171 HydrophobicContact CZ2-CB 4.11Å; W157-L171 HydrophobicContact CZ2-CD1 3.8Å; W157-L171 HydrophobicContact CZ2-CG 4.4Å; W157-L171 HydrophobicContact CZ3-CD1 3.93Å; T167-L171 HydrophobicContact CG2-CD1 3.76Å; T167-L171 HydrophobicContact CG2-CG 4.07Å; T167-L171 WeakPolarHBondContact O-CG 3.39Å; T167-L171 PolarHBondContact O-N 3.29Å; Q168-L171 PolarHBondContact O-N 3.02Å; L171-A174 CarbonylContact O-C 3.54Å; L171-A174 PolarHBondContact O-N 2.9Å; L171-R175 PolarHBondContact O-N 2.81Å; L171-A176 HydrophobicContact CB-CB 4.06Å; L171-A176 HydrophobicContact CD2-CB 3.63Å; L171-A176 HydrophobicContact CG-CB 4.44Å; L171-A176 PolarHBondContact O-N 3.17Å
172	E	98.3	Very high	98	Very high	91 Å²	91	69.6 Å²	69.6	43%	0.425	36%	0.363	S	S	.	.	H	α-helix	trans	-64.7	-49.8	174.3	-70.6	167.4	167.1	0	0	111.2	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.47Å; Q168-E172 HydrophobicContact CG-CG 4.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.44Å; Q168-E172 PolarHBondContact NE2-OE1 3.33Å; Q168-E172 WeakPolarHBondContact O-CB 3.44Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 3.21Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.39Å; E172-R175 PolarHBondContact O-N 2.86Å
173	A	98.3	Very high	98	Very high	89 Å²	89	67.4 Å²	67.4	74%	0.736	34%	0.343	S	S	*	.	H	α-helix	trans	-61.9	-33	176.5	0	0	0	0	0	113.1	R169 R175	R169-A173 VanDerWaalsContact O-CB 3.24Å; R169-A173 WeakPolarHBondContact O-CB 3.47Å; R169-A173 PolarHBondContact O-N 2.65Å; R169-A173 VanDerWaalsContact O-N 3.09Å; A173-R175 VanDerWaalsContact C-N 3.34Å
174	A	97.7	Very high	98	Very high	64 Å²	64	67.1 Å²	67.1	53%	0.529	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.7	174.7	0	0	0	0	0	114.1	K170 L171 E172 A176	K170-A174 WeakPolarHBondContact O-CB 3.46Å; K170-A174 PolarHBondContact O-N 2.87Å; L171-A174 CarbonylContact O-C 3.54Å; L171-A174 PolarHBondContact O-N 2.9Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.39Å; A174-A176 PolarHBondContact O-N 2.86Å
175	R	97.5	Very high	98	Very high	156 Å²	156	71 Å²	71	59%	0.589	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	33.6	-173.9	-61.4	173.6	171.5	-126.5	9.2	114.1	L171 E172 A173 A177 E178	L171-R175 PolarHBondContact O-N 2.81Å; E172-R175 PolarHBondContact O-N 2.86Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 2.97Å; R175-A177 VanDerWaalsContact O-N 3.09Å; R175-E178 HydrophobicContact CB-CG 4.16Å; R175-E178 WeakPolarHBondContact CD-OE1 3.26Å; R175-E178 IonicContact CZ-OE1 2.73Å; R175-E178 IonicContact NE-OE1 3.09Å; R175-E178 IonicContact NH1-OE1 3.57Å; R175-E178 PolarHBondContact NH1-OE1 2.76Å; R175-E178 IonicContact NH1-OE2 3.56Å; R175-E178 WeakPolarHBondContact O-CB 3.35Å; R175-E178 PolarHBondContact O-N 3.38Å
176	A	97.5	Very high	97.9	Very high	15 Å²	15	68.7 Å²	68.7	12%	0.124	35%	0.354	C	S	.	.	H	α-helix	trans	-56.9	-32.6	-172.8	0	0	0	0	0	113.4	W157 L171 A174 E178 Q179 L180	W157-A176 HydrophobicContact CZ2-CB 4.32Å; L171-A176 HydrophobicContact CB-CB 4.06Å; L171-A176 HydrophobicContact CD2-CB 3.63Å; L171-A176 HydrophobicContact CG-CB 4.44Å; L171-A176 PolarHBondContact O-N 3.17Å; A174-A176 PolarHBondContact O-N 2.86Å; A176-E178 VanDerWaalsContact C-N 3.29Å; A176-E178 PolarHBondContact O-N 2.82Å; A176-Q179 PolarHBondContact O-N 2.84Å; A176-L180 WeakPolarHBondContact O-CG 3.2Å; A176-L180 PolarHBondContact O-N 2.75Å
177	A	98.1	Very high	97.9	Very high	9 Å²	9	68.1 Å²	68.1	7%	0.074	35%	0.353	C	S	.	.	H	α-helix	trans	-60.7	-33.5	175.3	0	0	0	0	0	113.2	L150 R155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.86Å; R155-A177 WeakPolarHBondContact O-CB 3.32Å; W157-A177 HydrophobicContact CZ2-CB 4.29Å; R175-A177 PolarHBondContact O-N 2.97Å; R175-A177 VanDerWaalsContact O-N 3.09Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 2.79Å; A177-L180 PolarHBondContact O-N 2.82Å; A177-R181 WeakPolarHBondContact O-CB 3.32Å; A177-R181 PolarHBondContact O-N 2.9Å
178	E	97.8	Very high	97.8	Very high	114 Å²	114	66.7 Å²	66.7	53%	0.533	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-39.6	176.2	-63.4	178.7	-176.5	0	0	111.3	R175 A176 A182	R175-E178 HydrophobicContact CB-CG 4.16Å; R175-E178 WeakPolarHBondContact CD-OE1 3.26Å; R175-E178 IonicContact CZ-OE1 2.73Å; R175-E178 IonicContact NE-OE1 3.09Å; R175-E178 IonicContact NH1-OE1 3.57Å; R175-E178 PolarHBondContact NH1-OE1 2.76Å; R175-E178 IonicContact NH1-OE2 3.56Å; R175-E178 WeakPolarHBondContact O-CB 3.35Å; R175-E178 PolarHBondContact O-N 3.38Å; A176-E178 VanDerWaalsContact C-N 3.29Å; A176-E178 PolarHBondContact O-N 2.82Å; E178-A182 WeakPolarHBondContact O-CB 3.35Å; E178-A182 PolarHBondContact O-N 3.02Å; E178-A182 VanDerWaalsContact O-N 3.16Å
179	Q	96.4	Very high	97.8	Very high	148 Å²	148	65.1 Å²	65.1	69%	0.692	34%	0.338	S	S	*	.	H	α-helix	trans	-73.3	-42.5	178.8	-61.3	-176.9	0.4	0	0	112.1	A176 A177 A182 Y183	A176-Q179 PolarHBondContact O-N 2.84Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 2.79Å; Q179-A182 PolarHBondContact O-N 2.97Å; Q179-Y183 PolarHBondContact O-N 3.26Å
180	L	97.3	Very high	97.8	Very high	31 Å²	31	64.2 Å²	64.2	16%	0.162	34%	0.34	C	S	.	.	H	α-helix	trans	-66.5	-42.6	177.7	-67.3	172.1	0	0	0	111.4	D138 L150 W157 A176 A177 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.3Å; D138-L180 VanDerWaalsContact OD1-CD1 3.31Å; D138-L180 WeakPolarHBondContact OD1-CD1 3.34Å; D138-L180 WeakPolarHBondContact OD1-CD2 3.38Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; W157-L180 HydrophobicContact CH2-CD1 3.48Å; W157-L180 VanDerWaalsContact CH2-CD1 3.48Å; W157-L180 HydrophobicContact CZ2-CD1 3.91Å; A176-L180 WeakPolarHBondContact O-CG 3.2Å; A176-L180 PolarHBondContact O-N 2.75Å; A177-L180 PolarHBondContact O-N 2.82Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.14Å; L180-Y183 WeakPolarHBondContact O-CB 3.5Å; L180-Y183 PolarHBondContact O-N 2.76Å; L180-Y183 VanDerWaalsContact O-N 3.16Å; L180-L184 WeakPolarHBondContact O-CB 3.29Å; L180-L184 VanDerWaalsContact O-CG 3.25Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 3.05Å
181	R	98.1	Very high	97.8	Very high	73 Å²	73	61.2 Å²	61.2	28%	0.275	33%	0.325	S	S	.	.	H	α-helix	trans	-59.3	-42.9	173.8	-174.3	170.2	176.8	-98.9	-15.7	112	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4Å; L154-R181 HydrophobicContact CB-CG 3.73Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; L154-R181 WeakPolarHBondContact O-CD 3.21Å; A177-R181 WeakPolarHBondContact O-CB 3.32Å; A177-R181 PolarHBondContact O-N 2.9Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.94Å; R181-L184 PolarHBondContact O-N 3.11Å; R181-E185 VanDerWaalsContact CG-CD 3.49Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 VanDerWaalsContact CZ-CD 3.45Å; R181-E185 IonicContact CZ-OE1 2.79Å; R181-E185 IonicContact CZ-OE2 3.66Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.67Å; R181-E185 PolarHBondContact NE-OE1 3.15Å; R181-E185 IonicContact NE-OE2 3.92Å; R181-E185 PolarHBondContact NE-OE2 3.27Å; R181-E185 IonicContact NH1-OE2 2.76Å; R181-E185 IonicContact NH2-OE1 2.76Å; R181-E185 PolarHBondContact NH2-OE1 2.85Å; R181-E185 IonicContact NH2-OE2 3.68Å; R181-E185 PolarHBondContact NH2-OE2 3.42Å; R181-E185 WeakPolarHBondContact O-CB 3.47Å; R181-E185 WeakPolarHBondContact O-CG 3.44Å; R181-E185 PolarHBondContact O-N 2.81Å
182	A	98.1	Very high	97.8	Very high	64 Å²	64	59.1 Å²	59.1	53%	0.529	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-37	175.4	0	0	0	0	0	113.1	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.35Å; E178-A182 PolarHBondContact O-N 3.02Å; E178-A182 VanDerWaalsContact O-N 3.16Å; Q179-A182 PolarHBondContact O-N 2.97Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.14Å; A182-G186 PolarHBondContact O-N 2.72Å
183	Y	97.4	Very high	97.7	Very high	63 Å²	63	60.7 Å²	60.7	25%	0.247	32%	0.316	C	S	.	.	I	π-helix	trans	-67.3	-44.9	172	168.8	-104.3	0	0	0	112.1	Q179 L180 R181 T187 C188	Q179-Y183 PolarHBondContact O-N 3.26Å; L180-Y183 WeakPolarHBondContact O-CB 3.5Å; L180-Y183 PolarHBondContact O-N 2.76Å; L180-Y183 VanDerWaalsContact O-N 3.16Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.94Å; Y183-T187 HydrophobicContact CD2-CG2 3.96Å; Y183-T187 HydrophobicContact CE2-CG2 3.89Å; Y183-T187 PolarHBondContact O-N 3.02Å; Y183-T187 VanDerWaalsContact O-N 3.14Å; Y183-C188 HydrophobicContact CE1-CB 4.2Å; Y183-C188 WeakPolarHBondContact O-CB 3.5Å; Y183-C188 PolarHBondContact O-N 3.2Å
184	L	98.3	Very high	97.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.302	C	S	.	.	I	π-helix	trans	-73.1	-40	-175	-69.7	173.1	0	0	0	113.2	G124 L150 L154 L180 R181 C188 V189	G124-L184 WeakPolarHBondContact O-CD2 3.4Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å; L154-L184 HydrophobicContact CD1-CB 4.47Å; L154-L184 HydrophobicContact CD2-CD1 4Å; L180-L184 WeakPolarHBondContact O-CB 3.29Å; L180-L184 VanDerWaalsContact O-CG 3.25Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 3.05Å; R181-L184 PolarHBondContact O-N 3.11Å; L184-C188 HydrophobicContact CD2-CB 4.45Å; L184-V189 WeakPolarHBondContact O-CG2 3.36Å
185	E	97.8	Very high	97.6	Very high	81 Å²	81	58.9 Å²	58.9	38%	0.379	28%	0.277	S	S	.	.	I	π-helix	trans	-79	-26.7	178	-66.8	-178.2	160.1	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.48Å; L133-E185 HydrophobicContact CD2-CG 3.76Å; L154-E185 HydrophobicContact CD1-CG 4.17Å; R181-E185 VanDerWaalsContact CG-CD 3.49Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 VanDerWaalsContact CZ-CD 3.45Å; R181-E185 IonicContact CZ-OE1 2.79Å; R181-E185 IonicContact CZ-OE2 3.66Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.67Å; R181-E185 PolarHBondContact NE-OE1 3.15Å; R181-E185 IonicContact NE-OE2 3.92Å; R181-E185 PolarHBondContact NE-OE2 3.27Å; R181-E185 IonicContact NH1-OE2 2.76Å; R181-E185 IonicContact NH2-OE1 2.76Å; R181-E185 PolarHBondContact NH2-OE1 2.85Å; R181-E185 IonicContact NH2-OE2 3.68Å; R181-E185 PolarHBondContact NH2-OE2 3.42Å; R181-E185 WeakPolarHBondContact O-CB 3.47Å; R181-E185 WeakPolarHBondContact O-CG 3.44Å; R181-E185 PolarHBondContact O-N 2.81Å
186	G	97.6	Very high	97.6	Very high	23 Å²	23	52.1 Å²	52.1	24%	0.237	25%	0.252	C	S	.	.	I	π-helix	trans	-105.9	-91.4	179.5	0	0	0	0	0	112.6	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.72Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 3.37Å; G186-C188 VanDerWaalsContact O-N 3.14Å; G186-V189 WeakPolarHBondContact O-CB 3.5Å; G186-V189 PolarHBondContact O-N 2.83Å; G186-E190 WeakPolarHBondContact O-CG 3.44Å; G186-E190 PolarHBondContact O-N 3.31Å
187	T	97.4	Very high	97.5	Very high	49 Å²	49	56.9 Å²	56.9	30%	0.301	27%	0.272	S	S	.	.	I	π-helix	trans	-54.2	-38.1	-169	-55.8	0	0	0	0	114.2	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.96Å; Y183-T187 HydrophobicContact CE2-CG2 3.89Å; Y183-T187 PolarHBondContact O-N 3.02Å; Y183-T187 VanDerWaalsContact O-N 3.14Å; T187-E190 WeakPolarHBondContact CA-OE2 3.39Å; T187-E190 PolarHBondContact O-N 2.88Å; T187-W191 VanDerWaalsContact O-CD1 3.24Å; T187-W191 PolarHBondContact O-N 2.79Å
188	C	98.2	Very high	97.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.281	C	S	.	.	I	π-helix	trans	-64.4	-48.1	178.5	-168.6	0	0	0	0	111.2	M29 C125 Y183 L184 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.38Å; M29-C188 WeakPolarHBondContact CE-SG 3.49Å; C125-C188 HydrophobicContact CB-CB 3.85Å; C125-C188 WeakPolarHBondContact CB-SG 3.4Å; C125-C188 PolarHBondContact N-SG 3.33Å; C125-C188 WeakPolarHBondContact SG-CB 3.43Å; C125-C188 CovalentContact SG-SG 2.03Å; C125-C188 PolarHBondContact SG-SG 3.22Å; Y183-C188 HydrophobicContact CE1-CB 4.2Å; Y183-C188 WeakPolarHBondContact O-CB 3.5Å; Y183-C188 PolarHBondContact O-N 3.2Å; L184-C188 HydrophobicContact CD2-CB 4.45Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 3.37Å; G186-C188 VanDerWaalsContact O-N 3.14Å; C188-E190 PolarHBondContact O-N 2.97Å; C188-W191 PolarHBondContact O-N 2.66Å; C188-L192 VanDerWaalsContact O-CB 3.32Å; C188-L192 WeakPolarHBondContact O-CB 3.47Å; C188-L192 PolarHBondContact O-N 2.96Å
189	V	98.1	Very high	97.3	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-43.9	175.4	176.7	0	0	0	0	111.5	L127 L133 L184 G186 R193	L127-V189 HydrophobicContact CD2-CB 4.18Å; L127-V189 HydrophobicContact CD2-CG1 3.82Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L133-V189 HydrophobicContact CB-CG2 3.99Å; L133-V189 HydrophobicContact CD1-CG2 4.04Å; L184-V189 WeakPolarHBondContact O-CG2 3.36Å; G186-V189 WeakPolarHBondContact O-CB 3.5Å; G186-V189 PolarHBondContact O-N 2.83Å; V189-R193 WeakPolarHBondContact O-CB 3.47Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.45Å; V189-R193 PolarHBondContact O-N 2.9Å
190	E	97.9	Very high	97.2	Very high	116 Å²	116	50.7 Å²	50.7	54%	0.542	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-47.9	179.6	-69.8	170.9	160.1	0	0	112.4	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.44Å; G186-E190 PolarHBondContact O-N 3.31Å; T187-E190 WeakPolarHBondContact CA-OE2 3.39Å; T187-E190 PolarHBondContact O-N 2.88Å; C188-E190 PolarHBondContact O-N 2.97Å; E190-R194 PolarHBondContact O-N 2.87Å; E190-R194 VanDerWaalsContact O-N 3.1Å
191	W	97.8	Very high	96.9	Very high	49 Å²	49	57.7 Å²	57.7	19%	0.186	27%	0.274	C	S	.	.	H	α-helix	trans	-72.4	-37.7	-179.4	-80.1	91	0	0	0	112.6	M29 Y83 T187 C188 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.17Å; M29-W191 HydrophobicContact SD-CB 4.5Å; Y83-W191 HydrophobicContact CD2-CE3 4.41Å; Y83-W191 AromaticContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CH2 3.58Å; Y83-W191 HydrophobicContact CD2-CZ2 4.37Å; Y83-W191 AromaticContact CD2-CZ3 3.59Å; Y83-W191 HydrophobicContact CD2-CZ3 3.59Å; Y83-W191 HydrophobicContact CE2-CE3 4.03Å; Y83-W191 HydrophobicContact CE2-CH2 4.04Å; Y83-W191 AromaticContact CE2-CZ3 3.61Å; Y83-W191 HydrophobicContact CE2-CZ3 3.61Å; T187-W191 VanDerWaalsContact O-CD1 3.24Å; T187-W191 PolarHBondContact O-N 2.79Å; C188-W191 PolarHBondContact O-N 2.66Å; W191-R194 WeakPolarHBondContact O-CB 3.41Å; W191-R194 PolarHBondContact O-N 2.88Å; W191-Y195 HydrophobicContact CB-CE2 4.14Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.58Å; W191-Y195 HydrophobicContact CE3-CE1 3.58Å; W191-Y195 HydrophobicContact CE3-CE2 4.46Å; W191-Y195 AromaticContact CE3-CZ 3.57Å; W191-Y195 HydrophobicContact CZ3-CE1 4.04Å; W191-Y195 VanDerWaalsContact O-CD2 3.22Å; W191-Y195 WeakPolarHBondContact O-CD2 3.36Å; W191-Y195 PolarHBondContact O-N 3.39Å
192	L	98.1	Very high	96.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-47	174.1	173.9	50.2	0	0	0	111.6	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 3.99Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.19Å; M29-L192 HydrophobicContact CE-CB 4.25Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; L127-L192 HydrophobicContact CD1-CB 4.41Å; L127-L192 HydrophobicContact CD1-CD2 3.8Å; L127-L192 HydrophobicContact CD1-CG 3.79Å; L127-L192 HydrophobicContact CD2-CD2 4.42Å; L127-L192 HydrophobicContact CG-CD2 3.62Å; L127-L192 HydrophobicContact CG-CG 4.21Å; C188-L192 VanDerWaalsContact O-CB 3.32Å; C188-L192 WeakPolarHBondContact O-CB 3.47Å; C188-L192 PolarHBondContact O-N 2.96Å; L192-R194 VanDerWaalsContact C-N 3.31Å; L192-R194 PolarHBondContact O-N 2.96Å; L192-Y195 PolarHBondContact O-N 3.43Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 WeakPolarHBondContact O-CB 3.49Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.43Å; L192-L196 PolarHBondContact O-N 2.98Å
193	R	96.8	Very high	96.3	Very high	123 Å²	123	53.4 Å²	53.4	46%	0.464	25%	0.25	S	C	.	.	H	α-helix	trans	-58.1	-41.5	173.7	-71.9	173.5	-175.8	162.9	0.4	112.5	L127 G131 V189 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.9Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 3.37Å; G131-R193 PolarHBondContact O-NH2 2.87Å; V189-R193 WeakPolarHBondContact O-CB 3.47Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.45Å; V189-R193 PolarHBondContact O-N 2.9Å; R193-L196 PolarHBondContact O-N 2.66Å; R193-E197 PolarHBondContact O-N 2.94Å; R193-E197 VanDerWaalsContact O-N 3.15Å
194	R	97.1	Very high	95.9	Very high	115 Å²	115	54.8 Å²	54.8	43%	0.434	26%	0.258	S	S	.	.	H	α-helix	trans	-62.5	-44.5	175.9	178.5	178.3	172.8	101.6	-6.3	111.6	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.29Å; E79-R194 IonicContact OE1-CZ 2.66Å; E79-R194 VanDerWaalsContact OE1-CZ 3.32Å; E79-R194 IonicContact OE1-NE 3.4Å; E79-R194 PolarHBondContact OE1-NE 3.38Å; E79-R194 IonicContact OE1-NH2 2.73Å; E79-R194 PolarHBondContact OE1-NH2 2.81Å; E79-R194 VanDerWaalsContact OE1-NH2 3.09Å; E79-R194 IonicContact OE2-CZ 2.88Å; E79-R194 IonicContact OE2-NE 3.09Å; E79-R194 IonicContact OE2-NH2 3.88Å; E79-R194 PolarHBondContact OE2-NH2 2.74Å; E190-R194 PolarHBondContact O-N 2.87Å; E190-R194 VanDerWaalsContact O-N 3.1Å; W191-R194 WeakPolarHBondContact O-CB 3.41Å; W191-R194 PolarHBondContact O-N 2.88Å; L192-R194 VanDerWaalsContact C-N 3.31Å; L192-R194 PolarHBondContact O-N 2.96Å; R194-E197 PolarHBondContact O-N 2.88Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 3.33Å; R194-N198 PolarHBondContact O-OD1 3Å
195	Y	97.4	Very high	95.6	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-39.2	177.6	-62.3	-30.5	0	0	0	112.7	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.79Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å; V52-Y195 HydrophobicContact CG2-CD2 3.8Å; V52-Y195 HydrophobicContact CG2-CG 4.36Å; F57-Y195 HydrophobicContact CD2-CE2 4.28Å; F57-Y195 HydrophobicContact CE1-CE2 4.44Å; F57-Y195 HydrophobicContact CE2-CD2 4.13Å; F57-Y195 HydrophobicContact CE2-CE1 4.39Å; F57-Y195 AromaticContact CE2-CE2 3.43Å; F57-Y195 HydrophobicContact CE2-CE2 3.43Å; F57-Y195 VanDerWaalsContact CE2-CE2 3.43Å; F57-Y195 AromaticContact CE2-CZ 3.59Å; F57-Y195 HydrophobicContact CZ-CD2 4.13Å; F57-Y195 AromaticContact CZ-CE2 3.53Å; F57-Y195 HydrophobicContact CZ-CE2 3.53Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.45Å; W75-Y195 HydrophobicContact CH2-CD1 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.42Å; W75-Y195 HydrophobicContact CH2-CG 4.04Å; W75-Y195 AromaticContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD2 4.23Å; W75-Y195 HydrophobicContact CZ3-CE1 4.3Å; W75-Y195 AromaticContact CZ3-CG 3.52Å; W75-Y195 HydrophobicContact CZ3-CG 3.52Å; V76-Y195 HydrophobicContact CG2-CE1 4.21Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.23Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y83-Y195 PolarHBondContact OH-OH 3.41Å; W191-Y195 HydrophobicContact CB-CE2 4.14Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.58Å; W191-Y195 HydrophobicContact CE3-CE1 3.58Å; W191-Y195 HydrophobicContact CE3-CE2 4.46Å; W191-Y195 AromaticContact CE3-CZ 3.57Å; W191-Y195 HydrophobicContact CZ3-CE1 4.04Å; W191-Y195 VanDerWaalsContact O-CD2 3.22Å; W191-Y195 WeakPolarHBondContact O-CD2 3.36Å; W191-Y195 PolarHBondContact O-N 3.39Å; L192-Y195 PolarHBondContact O-N 3.43Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 3.38Å; Y195-N198 PolarHBondContact O-N 3.5Å; Y195-G199 WeakPolarHBondContact O-CA 3.33Å; Y195-G199 PolarHBondContact O-N 2.98Å; Y195-L203 WeakPolarHBondContact O-CD1 3.35Å
196	L	96	Very high	95.4	Very high	14 Å²	14	56.8 Å²	56.8	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-36.7	176.2	-71.5	167	0	0	0	112.8	H27 V52 L127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.61Å; H27-L196 HydrophobicContact CB-CD2 3.9Å; H27-L196 HydrophobicContact CB-CG 4.35Å; H27-L196 VanDerWaalsContact CG-CD2 3.5Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.44Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L127-L196 HydrophobicContact CD1-CD1 4.45Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 WeakPolarHBondContact O-CB 3.49Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.43Å; L192-L196 PolarHBondContact O-N 2.98Å; R193-L196 PolarHBondContact O-N 2.66Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.37Å; L196-K200 PolarHBondContact O-N 2.75Å; L196-K200 VanDerWaalsContact O-N 3.17Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.28Å; L196-Q204 PolarHBondContact O-NE2 2.86Å
197	E	95.8	Very high	95.3	Very high	115 Å²	115	58.4 Å²	58.4	54%	0.537	27%	0.272	S	S	.	.	H	α-helix	trans	-77.9	-43	174.1	-165.9	63.2	-160.5	0	0	111.6	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.94Å; R193-E197 VanDerWaalsContact O-N 3.15Å; R194-E197 PolarHBondContact O-N 2.88Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 3.38Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.69Å; E197-K200 WeakPolarHBondContact O-CB 3.28Å; E197-K200 PolarHBondContact O-N 3.42Å; E197-K200 IonicContact OE1-NZ 3.76Å; E197-K200 PolarHBondContact OE1-NZ 2.82Å; E197-K200 IonicContact OE2-NZ 2.77Å; E197-K200 PolarHBondContact OE2-NZ 3.09Å
198	N	96.6	Very high	95.3	Very high	50 Å²	50	59.1 Å²	59.1	27%	0.267	28%	0.277	S	S	.	.	H	α-helix	trans	-58	-39.5	175.6	-77.8	7.1	0	0	0	112.8	W75 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.46Å; W75-N198 WeakPolarHBondContact CB-O 3.47Å; E79-N198 PolarHBondContact OE1-ND2 3.4Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 3.33Å; R194-N198 PolarHBondContact O-OD1 3Å; Y195-N198 PolarHBondContact O-N 3.5Å
199	G	95.5	Very high	95.2	Very high	3 Å²	3	59.6 Å²	59.6	3%	0.031	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	17.1	-173.7	0	0	0	0	0	114.2	W75 Y195 E197 E201 T202 L203	W75-G199 VanDerWaalsContact CB-CA 3.45Å; W75-G199 VanDerWaalsContact CG-CA 3.41Å; Y195-G199 WeakPolarHBondContact O-CA 3.33Å; Y195-G199 PolarHBondContact O-N 2.98Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.69Å; G199-E201 VanDerWaalsContact C-N 3.35Å; G199-E201 PolarHBondContact O-N 3.22Å; G199-T202 CarbonylContact O-C 3.6Å; G199-T202 WeakPolarHBondContact O-CA 3.49Å; G199-T202 PolarHBondContact O-N 2.75Å; G199-T202 PolarHBondContact O-OG1 2.73Å; G199-L203 PolarHBondContact O-N 2.89Å
200	K	93.6	Very high	95.2	Very high	88 Å²	88	65.9 Å²	65.9	38%	0.383	31%	0.307	S	S	.	.	H	α-helix	trans	-45.7	-49.3	-170.4	-169.7	168.5	-157.2	147.6	0	114.9	L196 E197 T202 L203 Q204	L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.37Å; L196-K200 PolarHBondContact O-N 2.75Å; L196-K200 VanDerWaalsContact O-N 3.17Å; E197-K200 WeakPolarHBondContact O-CB 3.28Å; E197-K200 PolarHBondContact O-N 3.42Å; E197-K200 IonicContact OE1-NZ 3.76Å; E197-K200 PolarHBondContact OE1-NZ 2.82Å; E197-K200 IonicContact OE2-NZ 2.77Å; E197-K200 PolarHBondContact OE2-NZ 3.09Å; K200-T202 PolarHBondContact O-N 2.85Å; K200-T202 VanDerWaalsContact O-N 3.1Å; K200-L203 PolarHBondContact O-N 2.72Å; K200-Q204 HydrophobicContact CG-CB 4.45Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 3.36Å; K200-Q204 PolarHBondContact O-N 3.35Å
201	E	91.4	Very high	95.2	Very high	178 Å²	178	62.4 Å²	62.4	83%	0.832	29%	0.294	S	S	*	.	H	α-helix	trans	-63.6	-14.5	179	-58.2	-175.8	159.4	0	0	114.1	G199 R205	G199-E201 VanDerWaalsContact C-N 3.35Å; G199-E201 PolarHBondContact O-N 3.22Å; E201-R205 WeakPolarHBondContact O-CD 3.5Å
202	T	90.9	Very high	95.1	Very high	43 Å²	43	64 Å²	64	26%	0.264	30%	0.304	S	S	.	.	H	α-helix	trans	-114.8	-29	-178.9	60.8	0	0	0	0	114.3	W75 G199 K200	W75-T202 PolarHBondContact NE1-OG1 2.94Å; G199-T202 CarbonylContact O-C 3.6Å; G199-T202 WeakPolarHBondContact O-CA 3.49Å; G199-T202 PolarHBondContact O-N 2.75Å; G199-T202 PolarHBondContact O-OG1 2.73Å; K200-T202 PolarHBondContact O-N 2.85Å; K200-T202 VanDerWaalsContact O-N 3.1Å
203	L	92.3	Very high	95.1	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-100.8	-33.1	-175.2	-61.5	173.3	0	0	0	112.8	V52 T55 W75 Y195 L196 G199 K200 R205	V52-L203 HydrophobicContact CB-CD1 4.34Å; V52-L203 HydrophobicContact CB-CD2 4.24Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å; T55-L203 HydrophobicContact CG2-CD2 3.97Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.72Å; W75-L203 HydrophobicContact CZ2-CD2 3.99Å; W75-L203 HydrophobicContact CZ2-CG 4.27Å; Y195-L203 WeakPolarHBondContact O-CD1 3.35Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.28Å; G199-L203 PolarHBondContact O-N 2.89Å; K200-L203 PolarHBondContact O-N 2.72Å; L203-R205 VanDerWaalsContact C-N 3.31Å
204	Q	90.3	Very high	95.1	Very high	91 Å²	91	60.9 Å²	60.9	43%	0.425	30%	0.298	S	S	.	.	S	Bend	trans	-99.6	32.9	178.2	-58	176.7	36.4	0	0	110.9	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.86Å; K200-Q204 HydrophobicContact CG-CB 4.45Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 3.36Å; K200-Q204 PolarHBondContact O-N 3.35Å
205	R	91.3	Very high	95	Very high	85 Å²	85	58.2 Å²	58.2	32%	0.321	29%	0.29	S	S	.	.			trans	-111.4	142.9	174	82.4	-178.7	-167.9	-131.8	1.3	109.4	E201 L203 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.5Å; L203-R205 VanDerWaalsContact C-N 3.31Å; R205-E207 IonicContact CZ-OE1 3.7Å; R205-E207 IonicContact NE-OE1 2.75Å; R205-E207 PolarHBondContact NE-OE1 2.91Å; R205-E207 IonicContact NH2-OE1 2.73Å; R205-E207 PolarHBondContact NH2-OE1 3.15Å; R205-Y233 HydrophobicContact CG-CD1 4.29Å; R205-Y233 WeakPolarHBondContact O-CD1 3.39Å
206	A	93.5	Very high	94.9	Very high	39 Å²	39	62.1 Å²	62.1	32%	0.322	31%	0.308	S	S	.	.			trans	-115	122.7	165.1	0	0	0	0	0	108.9	Y233 E288	A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 WeakPolarHBondContact CA-O 3.21Å; A206-E288 HydrophobicContact CB-CB 4.1Å; A206-E288 HydrophobicContact CB-CG 4Å
207	E	95.3	Very high	94.8	Very high	56 Å²	56	66.1 Å²	66.1	26%	0.262	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-101.5	113.9	174.9	-72.4	-177.2	-102.4	0	0	108.9	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.7Å; R205-E207 IonicContact NE-OE1 2.75Å; R205-E207 PolarHBondContact NE-OE1 2.91Å; R205-E207 IonicContact NH2-OE1 2.73Å; R205-E207 PolarHBondContact NH2-OE1 3.15Å; E207-F232 WeakPolarHBondContact O-CA 3.38Å; E207-F232 VanDerWaalsContact O-CB 3.27Å; E207-F232 WeakPolarHBondContact O-CB 3.31Å; E207-Y233 PolarHBondContact N-O 2.94Å; E207-Y233 PolarHBondContact O-N 3.03Å; E207-Y233 VanDerWaalsContact O-N 3.13Å; E207-H287 PolarHBondContact O-CE1 2.8Å
208	P	96.8	Very high	94.6	Very high	64 Å²	64	65.5 Å²	65.5	42%	0.416	34%	0.335	S	S	.	.			trans	-68.7	146.4	-178.8	23.7	-31.6	0	0	0	112.4	K210 G289 L290	P208-K210 PolarHBondContact O-N 3.04Å; P208-G289 WeakPolarHBondContact CB-O 3.49Å; P208-L290 HydrophobicContact CB-CD2 3.86Å
209	P	97.8	Very high	94.4	Very high	10 Å²	10	65.7 Å²	65.7	7%	0.065	34%	0.34	C	S	.	.			trans	-63.5	134.4	178.5	26.1	-35.1	0	0	0	112.3	T211 A229 F232 I237 M285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.99Å; P209-T211 HydrophobicContact CG-CG2 4.1Å; P209-T211 PolarHBondContact O-N 3.09Å; P209-A229 HydrophobicContact CB-CB 3.82Å; P209-F232 HydrophobicContact CB-CB 3.99Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.24Å; P209-I237 HydrophobicContact CB-CD1 4.27Å; P209-I237 HydrophobicContact CG-CD1 4.17Å; P209-M285 HydrophobicContact CB-SD 3.95Å; P209-M285 HydrophobicContact CG-SD 3.51Å; P209-M285 VanDerWaalsContact CG-SD 3.51Å; P209-H287 HydrophobicContact CG-CB 4.28Å; P209-L290 HydrophobicContact CG-CD1 4.11Å; P209-L290 HydrophobicContact CG-CD2 4.4Å; P209-L290 HydrophobicContact CG-CG 4.41Å
210	K	97.8	Very high	94.1	Very high	139 Å²	139	72.6 Å²	72.6	60%	0.604	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	111.3	163.3	-65.7	152.7	-172.1	146.2	0	107.2	P208 L230	P208-K210 PolarHBondContact O-N 3.04Å; K210-L230 WeakPolarHBondContact CB-O 3.42Å; K210-L230 PolarHBondContact N-O 2.83Å; K210-L230 PolarHBondContact O-N 3.14Å
211	T	97.2	Very high	94.1	Very high	44 Å²	44	75.3 Å²	75.3	27%	0.27	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	151.2	-170.7	61.4	0	0	0	0	112.9	P209 W228 M285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.99Å; P209-T211 HydrophobicContact CG-CG2 4.1Å; P209-T211 PolarHBondContact O-N 3.09Å; T211-W228 VanDerWaalsContact CA-O 3.3Å; T211-W228 WeakPolarHBondContact CA-O 3.42Å; T211-M285 HydrophobicContact CG2-CE 3.52Å; T211-M285 HydrophobicContact CG2-SD 3.39Å; T211-M285 WeakPolarHBondContact CG2-SD 3.44Å; T211-L294 HydrophobicContact CG2-CD1 4.18Å; T211-L296 HydrophobicContact CG2-CD1 4.05Å
212	H	96	Very high	94.3	Very high	82 Å²	82	71.4 Å²	71.4	38%	0.38	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	156.5	166.8	60.8	-64	0	0	0	110.3	T214 W228	H212-T214 VanDerWaalsContact CD2-CG2 3.49Å; H212-T214 WeakPolarHBondContact CD2-CG2 3.44Å; H212-W228 AromaticContact CE1-CD1 3.75Å; H212-W228 AromaticContact CE1-CG 3.62Å; H212-W228 PolarHBondContact N-O 2.75Å; H212-W228 AromaticContact NE2-CD1 3.56Å; H212-W228 AromaticContact NE2-CG 3.89Å; H212-W228 PolarHBondContact O-N 3.03Å
213	V	97.8	Very high	94.5	Very high	24 Å²	24	69.4 Å²	69.4	15%	0.145	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130	172.7	-179.6	0	0	0	0	109.4	L225 C227 W241 L296 S297 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; V213-C227 HydrophobicContact CG2-CB 4.35Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.34Å; V213-L296 HydrophobicContact CG2-CB 3.96Å; V213-S297 WeakPolarHBondContact CG2-O 3.27Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.78Å
214	T	96.6	Very high	94.7	Very high	33 Å²	33	70 Å²	70	20%	0.202	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.2	178.8	52.1	0	0	0	0	110.6	H212 H216 L225 R226 W228	H212-T214 VanDerWaalsContact CD2-CG2 3.49Å; H212-T214 WeakPolarHBondContact CD2-CG2 3.44Å; T214-H216 PolarHBondContact OG1-CE1 3.39Å; T214-L225 CarbonylContact O-C 3.6Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; T214-R226 PolarHBondContact N-O 2.03Å; T214-R226 PolarHBondContact O-N 2.86Å; T214-R226 PolarHBondContact OG1-O 3.35Å; T214-W228 PolarHBondContact OG1-NE1 2.88Å
215	H	95.9	Very high	95.1	Very high	59 Å²	59	65.7 Å²	65.7	27%	0.273	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.4	-177.9	166	-86.1	0	0	0	110.3	A223 L225 W298	H215-A223 VanDerWaalsContact NE2-CB 3.33Å; H215-A223 WeakPolarHBondContact NE2-CB 3.27Å; H215-L225 HydrophobicContact CB-CD2 3.91Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.14Å; H215-W298 HydrophobicContact CB-CZ2 4.03Å; H215-W298 AromaticContact CG-CE2 3.83Å; H215-W298 AromaticContact CG-CZ2 3.83Å
216	H	94.6	Very high	95.4	Very high	83 Å²	83	63.8 Å²	63.8	38%	0.384	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	108.1	-178.3	-55.4	80.2	0	0	0	109.5	T214 L218 A223 T224	T214-H216 PolarHBondContact OG1-CE1 3.39Å; H216-L218 PolarHBondContact O-N 3.12Å; H216-A223 CarbonylContact O-C 3.52Å; H216-A223 VanDerWaalsContact O-CA 3.32Å; H216-A223 WeakPolarHBondContact O-CA 3.24Å; H216-T224 PolarHBondContact N-O 2.78Å; H216-T224 PolarHBondContact O-N 3.11Å
217	P	93.9	Very high	95.7	Very high	98 Å²	98	62 Å²	62	64%	0.636	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	133.6	173.6	-21.6	32	0	0	0	111.4
218	L	91.3	Very high	95.8	Very high	102 Å²	102	61.8 Å²	61.8	53%	0.534	32%	0.319	S	S	.	.			trans	-103.3	-38.3	171.3	-60.6	-179.3	0	0	0	111	H216 E222 T224 V272	H216-L218 PolarHBondContact O-N 3.12Å; L218-E222 WeakPolarHBondContact CB-O 3.12Å; L218-E222 PolarHBondContact N-O 2.68Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.2Å; L218-V272 HydrophobicContact CD1-CG1 4.16Å; L218-V272 HydrophobicContact CD1-CG2 4.19Å
219	S	92.3	Very high	95.9	Very high	54 Å²	54	58.8 Å²	58.8	38%	0.378	30%	0.299	S	S	.	.	S	Bend	trans	-152.4	-178.8	176.4	70.4	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 2.88Å; S219-H221 VanDerWaalsContact O-N 3.15Å; S219-H221 PolarHBondContact OG-N 2.85Å; S219-H221 VanDerWaalsContact OG-N 3.1Å; S219-E222 PolarHBondContact N-O 3.5Å; S219-E222 PolarHBondContact OG-N 3.15Å; S219-E222 VanDerWaalsContact OG-N 3.16Å
220	D	89.3	Confident	95.9	Very high	148 Å²	148	61 Å²	61	79%	0.791	31%	0.31	S	S	*	.	S	Bend	trans	-62.2	-16	170	-62.6	-32	0	0	0	112.8	S275	D220-S275 PolarHBondContact O-OG 2.81Å
221	H	93.1	Very high	95.9	Very high	145 Å²	145	55 Å²	55	67%	0.671	29%	0.287	S	S	*	.	S	Bend	trans	-111.2	-16.5	-173.1	-56	-26.1	0	0	0	114.2	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.88Å; S219-H221 VanDerWaalsContact O-N 3.15Å; S219-H221 PolarHBondContact OG-N 2.85Å; S219-H221 VanDerWaalsContact OG-N 3.1Å; H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.23Å; H221-S275 WeakPolarHBondContact CA-OG 3.37Å; H221-S275 PolarHBondContact O-N 3.45Å; H221-S275 PolarHBondContact O-OG 3.02Å
222	E	95.5	Very high	95.9	Very high	96 Å²	96	52.9 Å²	52.9	45%	0.449	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	144.3	-171.4	-66.2	179.3	165.6	0	0	112.5	L218 S219 V272 V273 S275	L218-E222 WeakPolarHBondContact CB-O 3.12Å; L218-E222 PolarHBondContact N-O 2.68Å; S219-E222 PolarHBondContact N-O 3.5Å; S219-E222 PolarHBondContact OG-N 3.15Å; S219-E222 VanDerWaalsContact OG-N 3.16Å; E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.39Å; E222-V273 WeakPolarHBondContact CA-O 3.49Å; E222-S275 PolarHBondContact N-OG 2.78Å
223	A	96	Very high	95.9	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.017	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	155.4	172.3	0	0	0	0	0	111.2	H215 H216 V272 V273	H215-A223 VanDerWaalsContact NE2-CB 3.33Å; H215-A223 WeakPolarHBondContact NE2-CB 3.27Å; H216-A223 CarbonylContact O-C 3.52Å; H216-A223 VanDerWaalsContact O-CA 3.32Å; H216-A223 WeakPolarHBondContact O-CA 3.24Å; A223-V272 WeakPolarHBondContact O-CA 3.44Å; A223-V273 PolarHBondContact N-O 2.99Å; A223-V273 PolarHBondContact O-N 2.79Å
224	T	97.4	Very high	95.8	Very high	17 Å²	17	49 Å²	49	10%	0.104	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.8	168.1	-51.9	0	0	0	0	110.1	H216 L218 A270 V271	H216-T224 PolarHBondContact N-O 2.78Å; H216-T224 PolarHBondContact O-N 3.11Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.2Å; T224-A270 HydrophobicContact CG2-CB 3.84Å; T224-V271 WeakPolarHBondContact CA-O 3.44Å
225	L	97.9	Very high	95.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.7	160.6	-61.7	-174.2	0	0	0	108.7	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; T214-L225 CarbonylContact O-C 3.6Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; H215-L225 HydrophobicContact CB-CD2 3.91Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.73Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 3.96Å; L225-W241 HydrophobicContact CD1-CZ3 4.15Å; L225-W241 HydrophobicContact CG-CH2 4.48Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.29Å; L225-V271 HydrophobicContact CB-CG1 4.29Å; L225-V271 PolarHBondContact N-O 2.68Å; L225-V271 PolarHBondContact O-N 3.33Å; L225-V273 HydrophobicContact CD1-CG1 3.97Å; L225-V273 HydrophobicContact CD1-CG2 4.18Å; L225-V273 HydrophobicContact CG-CG1 4.04Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.15Å; L225-E278 HydrophobicContact CD2-CB 4.44Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; L225-W298 HydrophobicContact CD1-CB 4.3Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.4Å; L225-W298 HydrophobicContact CD2-CG 3.99Å
226	R	98.1	Very high	95.7	Very high	45 Å²	45	51.7 Å²	51.7	17%	0.17	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.4	173.8	178.9	178.8	-69.5	107	4.7	110.2	T214 W228 E253 W268 A269 A270	T214-R226 PolarHBondContact N-O 2.03Å; T214-R226 PolarHBondContact O-N 2.86Å; T214-R226 PolarHBondContact OG1-O 3.35Å; R226-W228 VanDerWaalsContact CD-CZ2 3.47Å; R226-W228 HydrophobicContact CG-CZ2 4.38Å; R226-E253 IonicContact NH2-OE2 3.6Å; R226-E253 PolarHBondContact NH2-OE2 2.9Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.01Å; R226-W268 HydrophobicContact CG-CE3 3.77Å; R226-W268 HydrophobicContact CG-CG 4.17Å; R226-A269 WeakPolarHBondContact CA-O 3.3Å; R226-A270 HydrophobicContact CB-CB 3.85Å; R226-A270 HydrophobicContact CG-CB 4.03Å
227	C	98.1	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127	175.3	-178.7	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.35Å; C227-W241 HydrophobicContact CB-CH2 4.36Å; C227-W241 HydrophobicContact CB-CZ2 3.59Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.33Å; C227-W268 WeakPolarHBondContact O-CB 3.38Å; C227-A269 PolarHBondContact N-O 2.68Å; C227-A269 PolarHBondContact O-N 3.06Å; C227-C283 HydrophobicContact CB-CB 3.47Å; C227-C283 VanDerWaalsContact CB-CB 3.47Å; C227-C283 WeakPolarHBondContact CB-SG 3.49Å; C227-C283 WeakPolarHBondContact SG-CB 3.34Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.16Å
228	W	98.3	Very high	95.9	Very high	53 Å²	53	46.5 Å²	46.5	20%	0.201	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.7	-178	-66.6	88.5	0	0	0	111.8	T211 H212 T214 R226 L230 W268	T211-W228 VanDerWaalsContact CA-O 3.3Å; T211-W228 WeakPolarHBondContact CA-O 3.42Å; H212-W228 AromaticContact CE1-CD1 3.75Å; H212-W228 AromaticContact CE1-CG 3.62Å; H212-W228 PolarHBondContact N-O 2.75Å; H212-W228 AromaticContact NE2-CD1 3.56Å; H212-W228 AromaticContact NE2-CG 3.89Å; H212-W228 PolarHBondContact O-N 3.03Å; T214-W228 PolarHBondContact OG1-NE1 2.88Å; R226-W228 VanDerWaalsContact CD-CZ2 3.47Å; R226-W228 HydrophobicContact CG-CZ2 4.38Å; W228-L230 HydrophobicContact CB-CG 4.47Å; W228-L230 HydrophobicContact CE3-CD2 3.99Å; W228-W268 HydrophobicContact CD2-CB 4Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.67Å; W228-W268 HydrophobicContact CE3-CG 4.05Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.76Å; W228-W268 HydrophobicContact CH2-CG 4.38Å; W228-W268 HydrophobicContact CZ3-CB 4.38Å; W228-W268 AromaticContact CZ3-CD1 3.31Å; W228-W268 HydrophobicContact CZ3-CG 4.05Å; W228-W268 AromaticContact CZ3-NE1 3.93Å
229	A	98.4	Very high	96.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.7	161.3	0	0	0	0	0	108.1	P209 F232 I237 L239 Q266 K267 M285	P209-A229 HydrophobicContact CB-CB 3.82Å; A229-F232 HydrophobicContact CB-CD1 3.94Å; A229-F232 HydrophobicContact CB-CE1 3.6Å; A229-F232 WeakPolarHBondContact O-CE1 3.25Å; A229-I237 HydrophobicContact CB-CD1 3.76Å; A229-L239 HydrophobicContact CB-CD1 4.13Å; A229-L239 HydrophobicContact CB-CD2 4.32Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.46Å; A229-K267 PolarHBondContact N-O 3.29Å; A229-K267 PolarHBondContact O-N 2.83Å; A229-K267 VanDerWaalsContact O-O 3.04Å; A229-M285 HydrophobicContact CB-CE 3.86Å; A229-M285 HydrophobicContact CB-SD 3.84Å
230	L	98.3	Very high	96.4	Very high	57 Å²	57	41.3 Å²	41.3	30%	0.298	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	139	-176.9	-61.4	177.2	0	0	0	111.5	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.42Å; K210-L230 PolarHBondContact N-O 2.83Å; K210-L230 PolarHBondContact O-N 3.14Å; W228-L230 HydrophobicContact CB-CG 4.47Å; W228-L230 HydrophobicContact CE3-CD2 3.99Å; L230-Q266 HydrophobicContact CD2-CB 3.65Å
231	G	97.5	Very high	96.8	Very high	12 Å²	12	34.3 Å²	34.3	12%	0.124	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.9	41.1	168.9	0	0	0	0	0	113.9	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.36Å; G231-F265 PolarHBondContact N-O 3.43Å
232	F	97.3	Very high	97	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	158.9	179.5	59.3	-91.3	0	0	0	113.1	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.38Å; E207-F232 VanDerWaalsContact O-CB 3.27Å; E207-F232 WeakPolarHBondContact O-CB 3.31Å; P209-F232 HydrophobicContact CB-CB 3.99Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.24Å; A229-F232 HydrophobicContact CB-CD1 3.94Å; A229-F232 HydrophobicContact CB-CE1 3.6Å; A229-F232 WeakPolarHBondContact O-CE1 3.25Å; F232-P234 WeakPolarHBondContact CD2-O 3.4Å; F232-I237 HydrophobicContact CD1-CD1 4.03Å; F232-I237 HydrophobicContact CD2-CB 4.45Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CE1-CD1 3.9Å; F232-I237 HydrophobicContact CE2-CB 3.89Å; F232-I237 HydrophobicContact CE2-CD1 3.9Å; F232-I237 HydrophobicContact CE2-CG1 4.49Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 4.1Å; F232-I237 HydrophobicContact CZ-CB 4.28Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.6Å; F232-T257 HydrophobicContact CE2-CG2 4.05Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; F232-T264 CarbonylContact O-C 3.47Å; F232-T264 WeakPolarHBondContact O-CA 3.2Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.18Å; F232-F265 HydrophobicContact CD2-CB 3.9Å; F232-F265 HydrophobicContact CE1-CB 4.34Å; F232-F265 WeakPolarHBondContact CE1-O 3.4Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.72Å; F232-F265 PolarHBondContact N-O 2.87Å; F232-F265 PolarHBondContact O-N 3.24Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.9Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	95.9	Very high	97.1	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.02	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-154	137.6	174.3	179.9	-82.3	0	0	0	109	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.99Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.01Å; T55-Y233 PolarHBondContact OG1-OH 2.85Å; R205-Y233 HydrophobicContact CG-CD1 4.29Å; R205-Y233 WeakPolarHBondContact O-CD1 3.39Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 WeakPolarHBondContact CA-O 3.21Å; E207-Y233 PolarHBondContact N-O 2.94Å; E207-Y233 PolarHBondContact O-N 3.03Å; E207-Y233 VanDerWaalsContact O-N 3.13Å; Y233-G263 WeakPolarHBondContact CD2-O 3.01Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 HydrophobicContact CD2-CE2 4.08Å; Y233-H287 PolarHBondContact O-CE1 3.14Å
234	P	95.1	Very high	97	Very high	20 Å²	20	32.5 Å²	32.5	13%	0.13	17%	0.165	C	C	.	.	S	Bend	cis	-68.9	178.9	-0.4	30.4	-37.1	0	0	0	112.9	D54 F232 H287 E288	D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; F232-P234 WeakPolarHBondContact CD2-O 3.4Å; P234-H287 PolarHBondContact O-NE2 3.14Å; P234-E288 WeakPolarHBondContact CG-OE2 3.32Å
235	A	96.3	Very high	96.7	Very high	13 Å²	13	34 Å²	34	11%	0.107	18%	0.184	C	C	.	.	S	Bend	trans	-74.5	-21	-176	0	0	0	0	0	114.2	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.38Å; D54-A235 VanDerWaalsContact CG-CB 3.44Å; D54-A235 WeakPolarHBondContact OD1-CB 3.44Å; D54-A235 WeakPolarHBondContact OD2-CB 2.98Å; D54-A235 PolarHBondContact OD2-N 3.1Å; A235-I237 PolarHBondContact O-N 3.25Å; A235-T257 HydrophobicContact CB-CG2 4.26Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.81Å; A235-F265 HydrophobicContact CB-CE2 3.77Å; A235-F265 HydrophobicContact CB-CG 3.67Å; A235-F265 HydrophobicContact CB-CZ 3.85Å
236	E	95.3	Very high	96.6	Very high	135 Å²	135	40.9 Å²	40.9	63%	0.631	22%	0.216	S	C	*	.			trans	-67.2	122	179	-171.9	49.4	-103.6	0	0	110.5	H287	E236-H287 PolarHBondContact O-CD2 3.16Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å
237	I	95.7	Very high	96.5	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.031	23%	0.232	C	C	.	.			trans	-160.3	128.1	-173.5	-163.6	173	0	0	0	110.8	P209 A229 F232 A235 L239 K267 M285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.27Å; P209-I237 HydrophobicContact CG-CD1 4.17Å; A229-I237 HydrophobicContact CB-CD1 3.76Å; F232-I237 HydrophobicContact CD1-CD1 4.03Å; F232-I237 HydrophobicContact CD2-CB 4.45Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CE1-CD1 3.9Å; F232-I237 HydrophobicContact CE2-CB 3.89Å; F232-I237 HydrophobicContact CE2-CD1 3.9Å; F232-I237 HydrophobicContact CE2-CG1 4.49Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 4.1Å; F232-I237 HydrophobicContact CZ-CB 4.28Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.6Å; A235-I237 PolarHBondContact O-N 3.25Å; I237-L239 HydrophobicContact CD1-CD1 3.71Å; I237-L239 HydrophobicContact CG1-CD1 3.68Å; I237-L239 HydrophobicContact CG2-CD1 4.22Å; I237-K267 HydrophobicContact CG2-CB 4.31Å; I237-K267 HydrophobicContact CG2-CD 3.53Å; I237-M285 HydrophobicContact CD1-CG 4.28Å; I237-M285 HydrophobicContact CD1-SD 4.16Å; I237-M285 HydrophobicContact CG1-CG 4.46Å; I237-Q286 WeakPolarHBondContact CG1-O 3.19Å; I237-H287 HydrophobicContact CD1-CB 4.17Å; I237-H287 HydrophobicContact CG1-CB 4.01Å
238	T	96.5	Very high	96.4	Very high	66 Å²	66	44.3 Å²	44.3	41%	0.405	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.1	174.2	-69.4	0	0	0	0	110	T240 M285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.19Å; T238-M285 WeakPolarHBondContact O-CA 3.36Å; T238-Q286 PolarHBondContact N-O 3.06Å; T238-Q286 VanDerWaalsContact N-O 3.08Å; T238-Q286 PolarHBondContact O-N 2.98Å
239	L	96.9	Very high	96	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.9	171.3	-92.3	68.9	0	0	0	108.3	A229 I237 L254 K267 A269 H284 M285	A229-L239 HydrophobicContact CB-CD1 4.13Å; A229-L239 HydrophobicContact CB-CD2 4.32Å; I237-L239 HydrophobicContact CD1-CD1 3.71Å; I237-L239 HydrophobicContact CG1-CD1 3.68Å; I237-L239 HydrophobicContact CG2-CD1 4.22Å; L239-L254 HydrophobicContact CB-CD1 4.04Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-A269 HydrophobicContact CB-CB 4.17Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; L239-H284 WeakPolarHBondContact CA-O 3.4Å; L239-M285 HydrophobicContact CD1-CE 4.02Å; L239-M285 HydrophobicContact CD1-CG 3.78Å; L239-M285 HydrophobicContact CD1-SD 4.14Å; L239-M285 HydrophobicContact CD2-CE 4.21Å; L239-M285 HydrophobicContact CG-CE 3.96Å; L239-M285 HydrophobicContact CG-CG 4.34Å
240	T	97.1	Very high	95.6	Very high	41 Å²	41	55.9 Å²	55.9	25%	0.252	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.6	172.9	56.7	0	0	0	0	111.1	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.19Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.28Å; T240-H284 PolarHBondContact N-O 3.38Å; T240-H284 PolarHBondContact O-N 3.43Å
241	W	98.1	Very high	95.1	Very high	1 Å²	1	58.7 Å²	58.7	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.1	166.3	-83.6	106.2	0	0	0	109.5	V213 L225 C227 Q248 A269 V271 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.34Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.73Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 3.96Å; L225-W241 HydrophobicContact CD1-CZ3 4.15Å; L225-W241 HydrophobicContact CG-CH2 4.48Å; C227-W241 HydrophobicContact CB-CH2 4.36Å; C227-W241 HydrophobicContact CB-CZ2 3.59Å; W241-Q248 HydrophobicContact CB-CB 4.33Å; W241-Q248 PolarHBondContact O-N 3.5Å; W241-A269 PolarHBondContact NE1-O 3Å; W241-V271 HydrophobicContact CB-CB 4.46Å; W241-V271 HydrophobicContact CB-CG1 4.27Å; W241-V271 HydrophobicContact CD2-CB 4.46Å; W241-V271 HydrophobicContact CD2-CG1 3.55Å; W241-V271 HydrophobicContact CE3-CG1 4.03Å; W241-V271 HydrophobicContact CG-CB 4.08Å; W241-V271 HydrophobicContact CG-CG1 3.67Å; W241-V271 HydrophobicContact CZ2-CG1 4.29Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.05Å; W241-C283 HydrophobicContact CH2-CB 4.02Å; W241-C283 HydrophobicContact CZ2-CB 4.13Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å
242	Q	97.7	Very high	95	Very high	37 Å²	37	59.3 Å²	59.3	17%	0.173	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147	170.1	-71.8	-172.1	-8	0	0	110.7	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.52Å; Q242-E246 VanDerWaalsContact CA-O 3.29Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.46Å; Q242-D247 PolarHBondContact NE2-OD1 3.28Å; Q242-Y281 CarbonylContact O-C 3.56Å; Q242-Y281 VanDerWaalsContact O-CA 3.3Å; Q242-Y281 WeakPolarHBondContact O-CA 3.3Å; Q242-T282 PolarHBondContact N-O 2.74Å; Q242-T282 PolarHBondContact O-N 2.81Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.48Å; Q242-H284 PolarHBondContact OE1-NE2 2.73Å
243	R	97.1	Very high	95	Very high	68 Å²	68	64.6 Å²	64.6	26%	0.257	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.7	172.5	-178.8	-167.3	179.9	164.9	7.3	108.8	G245 E246 Q248 Q277 R280 Y281	R243-G245 PolarHBondContact O-N 3.08Å; R243-E246 PolarHBondContact N-O 3Å; R243-E246 PolarHBondContact O-N 2.98Å; R243-Q248 HydrophobicContact CB-CG 3.77Å; R243-Q277 VanDerWaalsContact NH2-OE1 3.08Å; R243-R280 WeakPolarHBondContact CA-O 3.42Å; R243-Y281 HydrophobicContact CB-CD1 4.01Å; R243-Y281 HydrophobicContact CB-CE1 3.85Å; R243-Y281 HydrophobicContact CG-CD1 4.32Å; R243-Y281 HydrophobicContact CG-CE1 3.94Å; R243-Y281 HydrophobicContact CG-CE2 4.18Å
244	D	94.6	Very high	95.1	Very high	100 Å²	100	68.6 Å²	68.6	54%	0.535	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	16.7	-174.9	-46.7	-71.6	0	0	0	114.7	R280	D244-R280 VanDerWaalsContact CG-NE 3.35Å; D244-R280 PolarHBondContact N-O 3.19Å; D244-R280 WeakPolarHBondContact OD1-CB 3.4Å; D244-R280 WeakPolarHBondContact OD1-CG 3.46Å; D244-R280 IonicContact OD1-CZ 3.66Å; D244-R280 IonicContact OD1-NE 2.89Å; D244-R280 PolarHBondContact OD1-NE 3.36Å; D244-R280 IonicContact OD1-NH2 3.57Å; D244-R280 IonicContact OD2-CZ 3.16Å; D244-R280 IonicContact OD2-NE 2.95Å; D244-R280 PolarHBondContact OD2-NE 3.46Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 2.85Å
245	G	91.1	Very high	95.2	Very high	48 Å²	48	69.3 Å²	69.3	50%	0.495	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.6	-3.2	-174.3	0	0	0	0	0	116	R243	R243-G245 PolarHBondContact O-N 3.08Å
246	E	95.5	Very high	95.2	Very high	145 Å²	145	76.9 Å²	76.9	68%	0.678	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	126.4	177.6	-61.8	-174.1	161.2	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.52Å; Q242-E246 VanDerWaalsContact CA-O 3.29Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; R243-E246 PolarHBondContact N-O 3Å; R243-E246 PolarHBondContact O-N 2.98Å; E246-Q248 PolarHBondContact O-N 2.87Å; E246-Q248 PolarHBondContact O-NE2 2.82Å
247	D	95.4	Very high	95.3	Very high	93 Å²	93	72.6 Å²	72.6	50%	0.497	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	130.9	-180	-66.6	-42.7	0	0	0	112.5	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.46Å; Q242-D247 PolarHBondContact NE2-OD1 3.28Å
248	Q	95.4	Very high	95.4	Very high	25 Å²	25	77.2 Å²	77.2	12%	0.117	40%	0.401	C	S	.	.			trans	-100.5	36.1	-176.4	-53.9	-63.7	-92.4	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.33Å; W241-Q248 PolarHBondContact O-N 3.5Å; R243-Q248 HydrophobicContact CB-CG 3.77Å; E246-Q248 PolarHBondContact O-N 2.87Å; E246-Q248 PolarHBondContact O-NE2 2.82Å; Q248-Q250 VanDerWaalsContact C-N 3.28Å; Q248-Q250 PolarHBondContact O-N 2.91Å; Q248-Q250 VanDerWaalsContact O-N 3.16Å; Q248-D251 PolarHBondContact O-N 3.19Å; Q248-D251 VanDerWaalsContact O-N 3.12Å; Q248-T252 WeakPolarHBondContact O-CB 3.15Å; Q248-T252 PolarHBondContact O-N 3.1Å; Q248-T252 VanDerWaalsContact O-N 3.14Å; Q248-T252 PolarHBondContact O-OG1 2.76Å; Q248-Y281 HydrophobicContact CG-CD1 4.49Å; Q248-Y281 HydrophobicContact CG-CE1 4.28Å
249	T	90.3	Very high	95.4	Very high	103 Å²	103	78.3 Å²	78.3	63%	0.632	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-28.6	-166.2	-46.1	0	0	0	0	114.6
250	Q	90.4	Very high	95.4	Very high	193 Å²	193	80.4 Å²	80.4	90%	0.902	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-30	178.5	-62.6	-173.9	24.8	0	0	112.8	Q248	Q248-Q250 VanDerWaalsContact C-N 3.28Å; Q248-Q250 PolarHBondContact O-N 2.91Å; Q248-Q250 VanDerWaalsContact O-N 3.16Å
251	D	88.8	Confident	95.2	Very high	115 Å²	115	82 Å²	82	62%	0.615	45%	0.452	S	S	*	.	S	Bend	trans	-94.9	5.3	-178.6	-53	-74.7	0	0	0	112.7	Q248	Q248-D251 PolarHBondContact O-N 3.19Å; Q248-D251 VanDerWaalsContact O-N 3.12Å
252	T	95.6	Very high	94.9	Very high	25 Å²	25	87.6 Å²	87.6	15%	0.153	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.8	-178.7	-63.7	0	0	0	0	111.8	Q248 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.15Å; Q248-T252 PolarHBondContact O-N 3.1Å; Q248-T252 VanDerWaalsContact O-N 3.14Å; Q248-T252 PolarHBondContact O-OG1 2.76Å; T252-L254 HydrophobicContact CG2-CB 4.31Å; T252-L254 PolarHBondContact O-N 3.08Å; T252-L254 VanDerWaalsContact O-N 3.16Å; T252-A269 HydrophobicContact CG2-CB 3.95Å; T252-A270 CarbonylContact C-O 3.49Å; T252-A270 WeakPolarHBondContact CA-O 3.49Å
253	E	96.9	Very high	94.7	Very high	112 Å²	112	87.9 Å²	87.9	52%	0.523	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	96.6	163.6	-175.7	-172	-153.4	0	0	109.1	R226 W268 A269 A270	R226-E253 IonicContact NH2-OE2 3.6Å; R226-E253 PolarHBondContact NH2-OE2 2.9Å; E253-W268 HydrophobicContact CB-CZ3 4.28Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.75Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.29Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.26Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.37Å; E253-A270 HydrophobicContact CB-CB 4.32Å; E253-A270 PolarHBondContact N-O 2.94Å; E253-A270 PolarHBondContact O-N 3.32Å
254	L	96.8	Very high	94.6	Very high	89 Å²	89	85.1 Å²	85.1	47%	0.466	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.7	176.1	-175.1	69.6	0	0	0	110.2	L239 T252 A269	L239-L254 HydrophobicContact CB-CD1 4.04Å; T252-L254 HydrophobicContact CG2-CB 4.31Å; T252-L254 PolarHBondContact O-N 3.08Å; T252-L254 VanDerWaalsContact O-N 3.16Å; L254-A269 HydrophobicContact CD1-CB 3.74Å
255	V	96.9	Very high	94.8	Very high	34 Å²	34	81.6 Å²	81.6	21%	0.206	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-85.9	153.5	175.5	-63.4	0	0	0	0	112.8	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 WeakPolarHBondContact O-CE 3.17Å; V255-K267 WeakPolarHBondContact O-CG 3.5Å; V255-K267 PolarHBondContact O-NZ 3.02Å; V255-W268 HydrophobicContact CG1-CD2 4.03Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.73Å; V255-W268 HydrophobicContact CG1-CZ2 3.43Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.43Å; V255-W268 HydrophobicContact CG1-CZ3 4.13Å; V255-W268 HydrophobicContact CG2-CD2 3.87Å; V255-W268 HydrophobicContact CG2-CG 3.83Å; V255-W268 WeakPolarHBondContact CG2-O 3.48Å; V255-W268 PolarHBondContact N-O 2.84Å
256	E	96.9	Very high	95.1	Very high	173 Å²	173	81.3 Å²	81.3	81%	0.808	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-53.9	146.9	165.2	-66.8	-177.1	166	0	0	111	R258	E256-R258 PolarHBondContact O-N 3.32Å
257	T	97.8	Very high	95.3	Very high	45 Å²	45	75.4 Å²	75.4	28%	0.276	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-70.8	126.9	174.3	-54.5	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.05Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; A235-T257 HydrophobicContact CB-CG2 4.26Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; T257-F265 HydrophobicContact CG2-CB 3.86Å; T257-F265 HydrophobicContact CG2-CD1 4.02Å; T257-F265 HydrophobicContact CG2-CG 4.23Å; T257-K267 WeakPolarHBondContact OG1-CD 3.48Å; T257-K267 PolarHBondContact OG1-NZ 2.97Å
258	R	97.2	Very high	95.4	Very high	103 Å²	103	72.2 Å²	72.2	39%	0.389	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.5	-174.7	70.9	-164.6	-176	-175.8	3.9	110.9	E256 Q266	E256-R258 PolarHBondContact O-N 3.32Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 2.9Å; R258-Q266 VanDerWaalsContact NE-CD 3.27Å; R258-Q266 VanDerWaalsContact O-CG 3.25Å; R258-Q266 WeakPolarHBondContact O-CG 3.11Å; R258-Q266 PolarHBondContact O-N 3.31Å
259	P	97.1	Very high	95.5	Very high	89 Å²	89	71 Å²	71	58%	0.578	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	151.8	177	27.6	-34.6	0	0	0	111.6	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.39Å; P259-F265 HydrophobicContact CB-CE1 4.12Å; P259-Q266 PolarHBondContact O-NE2 3.26Å; P259-Q266 VanDerWaalsContact O-NE2 3.16Å
260	A	96.6	Very high	95.9	Very high	50 Å²	50	66.2 Å²	66.2	41%	0.413	37%	0.369	S	S	.	.			trans	-88.7	-23.9	168.3	0	0	0	0	0	112.4	T264 Q266	A260-T264 WeakPolarHBondContact CB-O 3.42Å; A260-T264 PolarHBondContact N-O 3.36Å; A260-Q266 HydrophobicContact CB-CG 4.46Å
261	G	93.3	Very high	96.3	Very high	75 Å²	75	57.1 Å²	57.1	77%	0.773	33%	0.327	S	S	*	.	S	Bend	trans	100.9	-5.9	177.8	0	0	0	0	0	115
262	D	92.6	Very high	96.7	Very high	117 Å²	117	55.1 Å²	55.1	63%	0.626	32%	0.319	S	S	*	.	S	Bend	trans	-99.3	3.4	174.5	56.8	7.6	0	0	0	113.4	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.22Å; D262-T264 PolarHBondContact OD1-N 2.78Å; D262-T264 PolarHBondContact OD1-OG1 2.76Å; D262-T264 PolarHBondContact OD2-OG1 2.64Å
263	G	91.6	Very high	96.7	Very high	44 Å²	44	54 Å²	54	45%	0.454	31%	0.312	S	S	.	.	S	Bend	trans	101.3	-10.3	-171.8	0	0	0	0	0	113.9	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.01Å
264	T	96.6	Very high	96.7	Very high	9 Å²	9	50.7 Å²	50.7	6%	0.055	30%	0.3	C	S	.	.			trans	-99.4	171.5	177	73.9	0	0	0	0	112.8	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.36Å; F232-T264 CarbonylContact O-C 3.47Å; F232-T264 WeakPolarHBondContact O-CA 3.2Å; A260-T264 WeakPolarHBondContact CB-O 3.42Å; A260-T264 PolarHBondContact N-O 3.36Å; D262-T264 WeakPolarHBondContact OD1-CB 3.22Å; D262-T264 PolarHBondContact OD1-N 2.78Å; D262-T264 PolarHBondContact OD1-OG1 2.76Å; D262-T264 PolarHBondContact OD2-OG1 2.64Å
265	F	98.1	Very high	96.5	Very high	26 Å²	26	49 Å²	49	11%	0.114	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	164.3	-176.8	-66.4	-84.8	0	0	0	112.8	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.7Å; D54-F265 HydrophobicContact CB-CZ 3.73Å; G231-F265 PolarHBondContact N-O 3.43Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.18Å; F232-F265 HydrophobicContact CD2-CB 3.9Å; F232-F265 HydrophobicContact CE1-CB 4.34Å; F232-F265 WeakPolarHBondContact CE1-O 3.4Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.72Å; F232-F265 PolarHBondContact N-O 2.87Å; F232-F265 PolarHBondContact O-N 3.24Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 HydrophobicContact CD2-CE2 4.08Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.81Å; A235-F265 HydrophobicContact CB-CE2 3.77Å; A235-F265 HydrophobicContact CB-CG 3.67Å; A235-F265 HydrophobicContact CB-CZ 3.85Å; T257-F265 HydrophobicContact CG2-CB 3.86Å; T257-F265 HydrophobicContact CG2-CD1 4.02Å; T257-F265 HydrophobicContact CG2-CG 4.23Å; P259-F265 HydrophobicContact CB-CD1 4.39Å; P259-F265 HydrophobicContact CB-CE1 4.12Å
266	Q	98.2	Very high	96.2	Very high	42 Å²	42	50.6 Å²	50.6	20%	0.196	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	142.8	178.1	38.1	162	-24.4	0	0	110.1	A229 L230 R258 P259 A260	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.46Å; L230-Q266 HydrophobicContact CD2-CB 3.65Å; R258-Q266 HydrophobicContact CG-CG 3.68Å; R258-Q266 PolarHBondContact N-O 2.9Å; R258-Q266 VanDerWaalsContact NE-CD 3.27Å; R258-Q266 VanDerWaalsContact O-CG 3.25Å; R258-Q266 WeakPolarHBondContact O-CG 3.11Å; R258-Q266 PolarHBondContact O-N 3.31Å; P259-Q266 PolarHBondContact O-NE2 3.26Å; P259-Q266 VanDerWaalsContact O-NE2 3.16Å; A260-Q266 HydrophobicContact CB-CG 4.46Å
267	K	98.5	Very high	96.1	Very high	21 Å²	21	45 Å²	45	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.8	178.1	-160.3	-176.1	-170.1	65.5	0	109.1	A229 F232 I237 L239 V255 T257	A229-K267 PolarHBondContact N-O 3.29Å; A229-K267 PolarHBondContact O-N 2.83Å; A229-K267 VanDerWaalsContact O-O 3.04Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.31Å; I237-K267 HydrophobicContact CG2-CD 3.53Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 WeakPolarHBondContact O-CE 3.17Å; V255-K267 WeakPolarHBondContact O-CG 3.5Å; V255-K267 PolarHBondContact O-NZ 3.02Å; T257-K267 WeakPolarHBondContact OG1-CD 3.48Å; T257-K267 PolarHBondContact OG1-NZ 2.97Å
268	W	98.2	Very high	96	Very high	26 Å²	26	43.9 Å²	43.9	10%	0.098	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	157.1	168.4	55.5	-96.7	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.01Å; R226-W268 HydrophobicContact CG-CE3 3.77Å; R226-W268 HydrophobicContact CG-CG 4.17Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.33Å; C227-W268 WeakPolarHBondContact O-CB 3.38Å; W228-W268 HydrophobicContact CD2-CB 4Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.67Å; W228-W268 HydrophobicContact CE3-CG 4.05Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.76Å; W228-W268 HydrophobicContact CH2-CG 4.38Å; W228-W268 HydrophobicContact CZ3-CB 4.38Å; W228-W268 AromaticContact CZ3-CD1 3.31Å; W228-W268 HydrophobicContact CZ3-CG 4.05Å; W228-W268 AromaticContact CZ3-NE1 3.93Å; E253-W268 HydrophobicContact CB-CZ3 4.28Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.75Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.29Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.26Å; V255-W268 HydrophobicContact CG1-CD2 4.03Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.73Å; V255-W268 HydrophobicContact CG1-CZ2 3.43Å; V255-W268 VanDerWaalsContact CG1-CZ2 3.43Å; V255-W268 HydrophobicContact CG1-CZ3 4.13Å; V255-W268 HydrophobicContact CG2-CD2 3.87Å; V255-W268 HydrophobicContact CG2-CG 3.83Å; V255-W268 WeakPolarHBondContact CG2-O 3.48Å; V255-W268 PolarHBondContact N-O 2.84Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
269	A	98.2	Very high	95.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.1	172.6	0	0	0	0	0	108.3	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.3Å; C227-A269 PolarHBondContact N-O 2.68Å; C227-A269 PolarHBondContact O-N 3.06Å; L239-A269 HydrophobicContact CB-CB 4.17Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; W241-A269 PolarHBondContact NE1-O 3Å; T252-A269 HydrophobicContact CG2-CB 3.95Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.37Å; L254-A269 HydrophobicContact CD1-CB 3.74Å
270	A	97.9	Very high	95.8	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.017	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145	177.4	0	0	0	0	0	112.1	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.84Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.29Å; R226-A270 HydrophobicContact CB-CB 3.85Å; R226-A270 HydrophobicContact CG-CB 4.03Å; T252-A270 CarbonylContact C-O 3.49Å; T252-A270 WeakPolarHBondContact CA-O 3.49Å; E253-A270 HydrophobicContact CB-CB 4.32Å; E253-A270 PolarHBondContact N-O 2.94Å; E253-A270 PolarHBondContact O-N 3.32Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
271	V	97.9	Very high	95.8	Very high	3 Å²	3	43 Å²	43	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.3	177.8	62.9	0	0	0	0	109.1	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.44Å; L225-V271 HydrophobicContact CB-CG1 4.29Å; L225-V271 PolarHBondContact N-O 2.68Å; L225-V271 PolarHBondContact O-N 3.33Å; W241-V271 HydrophobicContact CB-CB 4.46Å; W241-V271 HydrophobicContact CB-CG1 4.27Å; W241-V271 HydrophobicContact CD2-CB 4.46Å; W241-V271 HydrophobicContact CD2-CG1 3.55Å; W241-V271 HydrophobicContact CE3-CG1 4.03Å; W241-V271 HydrophobicContact CG-CB 4.08Å; W241-V271 HydrophobicContact CG-CG1 3.67Å; W241-V271 HydrophobicContact CZ2-CG1 4.29Å; V271-V273 HydrophobicContact CG1-CG1 3.86Å; V271-Y281 HydrophobicContact CG1-CD1 4.11Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 4.14Å
272	V	97.5	Very high	96	Very high	73 Å²	73	40.9 Å²	40.9	44%	0.442	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.4	172.2	-178.8	0	0	0	0	108.5	L218 E222 A223	L218-V272 HydrophobicContact CD1-CG1 4.16Å; L218-V272 HydrophobicContact CD1-CG2 4.19Å; E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.39Å; A223-V272 WeakPolarHBondContact O-CA 3.44Å
273	V	96.6	Very high	96.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.5	-176.3	-50.8	0	0	0	0	110.3	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.49Å; A223-V273 PolarHBondContact N-O 2.99Å; A223-V273 PolarHBondContact O-N 2.79Å; L225-V273 HydrophobicContact CD1-CG1 3.97Å; L225-V273 HydrophobicContact CD1-CG2 4.18Å; L225-V273 HydrophobicContact CG-CG1 4.04Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.86Å; V273-E278 HydrophobicContact CG2-CB 4.5Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 3.92Å; V273-Y281 HydrophobicContact CB-CE2 3.68Å; V273-Y281 HydrophobicContact CB-CG 4.5Å; V273-Y281 HydrophobicContact CG1-CD1 3.75Å; V273-Y281 HydrophobicContact CG1-CD2 3.53Å; V273-Y281 HydrophobicContact CG1-CE1 3.79Å; V273-Y281 HydrophobicContact CG1-CE2 3.59Å; V273-Y281 HydrophobicContact CG1-CG 3.61Å
274	P	96.4	Very high	96.5	Very high	44 Å²	44	36 Å²	36	29%	0.286	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	140.5	171.3	-19.4	32.4	0	0	0	111.6	H221 G276 Q277	H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.23Å; P274-G276 PolarHBondContact O-N 3.47Å; P274-Q277 HydrophobicContact CB-CB 4.45Å; P274-Q277 HydrophobicContact CB-CG 4.38Å; P274-Q277 WeakPolarHBondContact O-CB 3.21Å; P274-Q277 PolarHBondContact O-N 3.09Å
275	S	92.6	Very high	96.5	Very high	54 Å²	54	35.5 Å²	35.5	38%	0.378	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	130.8	175.4	-60.2	0	0	0	0	111.8	D220 H221 E222 Q277 E278	D220-S275 PolarHBondContact O-OG 2.81Å; H221-S275 WeakPolarHBondContact CA-OG 3.37Å; H221-S275 PolarHBondContact O-N 3.45Å; H221-S275 PolarHBondContact O-OG 3.02Å; E222-S275 PolarHBondContact N-OG 2.78Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; S275-E278 WeakPolarHBondContact CA-OE1 3.32Å
276	G	91.3	Very high	96.5	Very high	67 Å²	67	38.1 Å²	38.1	69%	0.691	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	4.5	-177.8	0	0	0	0	0	115.1	P274 E278	P274-G276 PolarHBondContact O-N 3.47Å; G276-E278 VanDerWaalsContact C-OE2 3.23Å; G276-E278 WeakPolarHBondContact CA-OE2 3.44Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 2.97Å; G276-E278 PolarHBondContact N-OE2 2.86Å; G276-E278 VanDerWaalsContact N-OE2 3.15Å
277	Q	94.8	Very high	96.3	Very high	56 Å²	56	36.1 Å²	36.1	26%	0.262	20%	0.198	S	C	.	.			trans	-109.8	5	173.3	-65.4	-169.5	63.6	0	0	113.4	R243 P274 S275 Q279 R280 Y281	R243-Q277 VanDerWaalsContact NH2-OE1 3.08Å; P274-Q277 HydrophobicContact CB-CB 4.45Å; P274-Q277 HydrophobicContact CB-CG 4.38Å; P274-Q277 WeakPolarHBondContact O-CB 3.21Å; P274-Q277 PolarHBondContact O-N 3.09Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; Q277-Q279 PolarHBondContact O-N 3.22Å; Q277-Q279 VanDerWaalsContact O-N 3.15Å; Q277-R280 VanDerWaalsContact O-CB 3.32Å; Q277-R280 WeakPolarHBondContact O-CB 3.14Å; Q277-R280 PolarHBondContact O-N 2.92Å; Q277-Y281 HydrophobicContact CB-CE2 4.47Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.43Å
278	E	94.5	Very high	96	Very high	21 Å²	21	38.1 Å²	38.1	10%	0.098	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-56.1	-36.9	-173.4	-52.9	78.9	-173	0	0	112.4	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.15Å; L225-E278 HydrophobicContact CD2-CB 4.44Å; L225-E278 HydrophobicContact CD2-CG 4.39Å; V273-E278 HydrophobicContact CG2-CB 4.5Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.32Å; G276-E278 VanDerWaalsContact C-OE2 3.23Å; G276-E278 WeakPolarHBondContact CA-OE2 3.44Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 2.97Å; G276-E278 PolarHBondContact N-OE2 2.86Å; G276-E278 VanDerWaalsContact N-OE2 3.15Å; E278-R280 PolarHBondContact O-N 3.42Å; E278-Y281 PolarHBondContact O-N 3.02Å; E278-Y281 VanDerWaalsContact O-N 3.08Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.73Å
279	Q	94.3	Very high	95.7	Very high	109 Å²	109	37.9 Å²	37.9	51%	0.509	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-68.8	-11.2	179.3	-60.6	-56.8	-42.4	0	0	114.4	Q277 Y281 W298	Q277-Q279 PolarHBondContact O-N 3.22Å; Q277-Q279 VanDerWaalsContact O-N 3.15Å; Q279-Y281 VanDerWaalsContact C-N 3.34Å; Q279-W298 PolarHBondContact NE2-O 3.44Å
280	R	96.1	Very high	95.5	Very high	108 Å²	108	39.1 Å²	39.1	41%	0.408	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-82.3	-15.9	172.4	-61.3	174.8	69.4	172	5.8	112.3	R243 D244 Q277 E278	R243-R280 WeakPolarHBondContact CA-O 3.42Å; D244-R280 VanDerWaalsContact CG-NE 3.35Å; D244-R280 PolarHBondContact N-O 3.19Å; D244-R280 WeakPolarHBondContact OD1-CB 3.4Å; D244-R280 WeakPolarHBondContact OD1-CG 3.46Å; D244-R280 IonicContact OD1-CZ 3.66Å; D244-R280 IonicContact OD1-NE 2.89Å; D244-R280 PolarHBondContact OD1-NE 3.36Å; D244-R280 IonicContact OD1-NH2 3.57Å; D244-R280 IonicContact OD2-CZ 3.16Å; D244-R280 IonicContact OD2-NE 2.95Å; D244-R280 PolarHBondContact OD2-NE 3.46Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 2.85Å; Q277-R280 VanDerWaalsContact O-CB 3.32Å; Q277-R280 WeakPolarHBondContact O-CB 3.14Å; Q277-R280 PolarHBondContact O-N 2.92Å; E278-R280 PolarHBondContact O-N 3.42Å
281	Y	97.3	Very high	95.2	Very high	7 Å²	7	48.7 Å²	48.7	3%	0.027	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.5	-177	-67.8	-98.5	0	0	0	110.4	Q242 R243 Q248 V271 V273 Q277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.56Å; Q242-Y281 VanDerWaalsContact O-CA 3.3Å; Q242-Y281 WeakPolarHBondContact O-CA 3.3Å; R243-Y281 HydrophobicContact CB-CD1 4.01Å; R243-Y281 HydrophobicContact CB-CE1 3.85Å; R243-Y281 HydrophobicContact CG-CD1 4.32Å; R243-Y281 HydrophobicContact CG-CE1 3.94Å; R243-Y281 HydrophobicContact CG-CE2 4.18Å; Q248-Y281 HydrophobicContact CG-CD1 4.49Å; Q248-Y281 HydrophobicContact CG-CE1 4.28Å; V271-Y281 HydrophobicContact CG1-CD1 4.11Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 4.14Å; V273-Y281 HydrophobicContact CB-CD2 3.92Å; V273-Y281 HydrophobicContact CB-CE2 3.68Å; V273-Y281 HydrophobicContact CB-CG 4.5Å; V273-Y281 HydrophobicContact CG1-CD1 3.75Å; V273-Y281 HydrophobicContact CG1-CD2 3.53Å; V273-Y281 HydrophobicContact CG1-CE1 3.79Å; V273-Y281 HydrophobicContact CG1-CE2 3.59Å; V273-Y281 HydrophobicContact CG1-CG 3.61Å; Q277-Y281 HydrophobicContact CB-CE2 4.47Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.43Å; E278-Y281 PolarHBondContact O-N 3.02Å; E278-Y281 VanDerWaalsContact O-N 3.08Å; Q279-Y281 VanDerWaalsContact C-N 3.34Å
282	T	97.7	Very high	94.9	Very high	29 Å²	29	56 Å²	56	18%	0.178	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132	178.1	48.2	0	0	0	0	110.1	Q242 H284 T295 L296	Q242-T282 PolarHBondContact N-O 2.74Å; Q242-T282 PolarHBondContact O-N 2.81Å; T282-H284 WeakPolarHBondContact CB-NE2 3.29Å; T282-H284 PolarHBondContact O-CD2 3.27Å; T282-H284 PolarHBondContact OG1-NE2 3.31Å; T282-T295 HydrophobicContact CG2-CG2 3.96Å; T282-L296 WeakPolarHBondContact CA-O 3.39Å
283	C	97.8	Very high	94.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.3	171.5	174.4	0	0	0	0	108.7	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.47Å; C227-C283 VanDerWaalsContact CB-CB 3.47Å; C227-C283 WeakPolarHBondContact CB-SG 3.49Å; C227-C283 WeakPolarHBondContact SG-CB 3.34Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.16Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.28Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.05Å; W241-C283 HydrophobicContact CH2-CB 4.02Å; W241-C283 HydrophobicContact CZ2-CB 4.13Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å; C283-T295 CarbonylContact O-C 3.58Å; C283-T295 WeakPolarHBondContact O-CA 3.38Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 3.44Å; C283-L296 PolarHBondContact O-N 3.43Å
284	H	97.1	Very high	94.7	Very high	58 Å²	58	59 Å²	59	27%	0.269	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.7	176.4	-67.6	-99.6	0	0	0	109.3	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.4Å; T240-H284 PolarHBondContact N-O 3.38Å; T240-H284 PolarHBondContact O-N 3.43Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.48Å; Q242-H284 PolarHBondContact OE1-NE2 2.73Å; T282-H284 WeakPolarHBondContact CB-NE2 3.29Å; T282-H284 PolarHBondContact O-CD2 3.27Å; T282-H284 PolarHBondContact OG1-NE2 3.31Å; H284-L294 CarbonylContact C-O 3.52Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; H284-T295 VanDerWaalsContact CE1-CG2 3.5Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.49Å; H284-T295 PolarHBondContact CE1-OG1 2.84Å; H284-T295 PolarHBondContact ND1-OG1 3.45Å
285	M	96.4	Very high	94.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	129.2	-171.9	-169.2	176.9	-54.8	0	0	112	P209 T211 A229 I237 T238 L239 L290 P293 L294 L296	P209-M285 HydrophobicContact CB-SD 3.95Å; P209-M285 HydrophobicContact CG-SD 3.51Å; P209-M285 VanDerWaalsContact CG-SD 3.51Å; T211-M285 HydrophobicContact CG2-CE 3.52Å; T211-M285 HydrophobicContact CG2-SD 3.39Å; T211-M285 WeakPolarHBondContact CG2-SD 3.44Å; A229-M285 HydrophobicContact CB-CE 3.86Å; A229-M285 HydrophobicContact CB-SD 3.84Å; I237-M285 HydrophobicContact CD1-CG 4.28Å; I237-M285 HydrophobicContact CD1-SD 4.16Å; I237-M285 HydrophobicContact CG1-CG 4.46Å; T238-M285 WeakPolarHBondContact O-CA 3.36Å; L239-M285 HydrophobicContact CD1-CE 4.02Å; L239-M285 HydrophobicContact CD1-CG 3.78Å; L239-M285 HydrophobicContact CD1-SD 4.14Å; L239-M285 HydrophobicContact CD2-CE 4.21Å; L239-M285 HydrophobicContact CG-CE 3.96Å; L239-M285 HydrophobicContact CG-CG 4.34Å; M285-L290 HydrophobicContact CG-CD1 4.47Å; M285-P293 CarbonylContact O-C 3.55Å; M285-P293 WeakPolarHBondContact O-CA 3.5Å; M285-L294 HydrophobicContact CB-CB 4.37Å; M285-L294 PolarHBondContact N-O 3.15Å; M285-L294 PolarHBondContact O-N 3.26Å; M285-L296 HydrophobicContact CE-CD1 4.13Å
286	Q	96.3	Very high	94.8	Very high	80 Å²	80	59.6 Å²	59.6	37%	0.374	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.7	178.1	-57.4	-179.2	7.8	0	0	109.8	W23 I237 T238 P293	W23-Q286 HydrophobicContact CZ2-CB 4.41Å; I237-Q286 WeakPolarHBondContact CG1-O 3.19Å; T238-Q286 PolarHBondContact N-O 3.06Å; T238-Q286 VanDerWaalsContact N-O 3.08Å; T238-Q286 PolarHBondContact O-N 2.98Å; Q286-P293 HydrophobicContact CG-CB 4.03Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287	H	95.1	Very high	95	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	30%	0.301	C	S	.	.			trans	-157.6	149.1	-176.9	-174.8	-100.5	0	0	0	110.1	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 2.8Å; P209-H287 HydrophobicContact CG-CB 4.28Å; F232-H287 AromaticContact CD2-CD2 3.9Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 3.14Å; P234-H287 PolarHBondContact O-NE2 3.14Å; E236-H287 PolarHBondContact O-CD2 3.16Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å; I237-H287 HydrophobicContact CD1-CB 4.17Å; I237-H287 HydrophobicContact CG1-CB 4.01Å; H287-G289 PolarHBondContact ND1-N 3.05Å; H287-G289 PolarHBondContact O-N 2.83Å; H287-L290 HydrophobicContact CB-CD1 3.87Å; H287-L290 HydrophobicContact CB-CG 4.08Å; H287-L290 WeakPolarHBondContact O-CB 3.22Å; H287-L290 PolarHBondContact O-N 3.05Å
288	E	91.7	Very high	95	Very high	62 Å²	62	58.6 Å²	58.6	29%	0.29	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.1	-175.4	-167.3	175.5	158.6	0	0	113.7	W23 C25 A206 P234 L290	W23-E288 HydrophobicContact CD2-CB 4.41Å; W23-E288 HydrophobicContact CD2-CG 4.45Å; W23-E288 HydrophobicContact CE3-CB 3.57Å; W23-E288 HydrophobicContact CE3-CG 3.76Å; W23-E288 HydrophobicContact CH2-CB 4.47Å; W23-E288 HydrophobicContact CZ3-CB 3.61Å; W23-E288 HydrophobicContact CZ3-CG 4.31Å; W23-E288 VanDerWaalsContact CZ3-N 3.34Å; C25-E288 PolarHBondContact SG-OE1 3.15Å; A206-E288 HydrophobicContact CB-CB 4.1Å; A206-E288 HydrophobicContact CB-CG 4Å; P234-E288 WeakPolarHBondContact CG-OE2 3.32Å; E288-L290 PolarHBondContact O-N 2.97Å
289	G	92.2	Very high	94.6	Very high	22 Å²	22	65.2 Å²	65.2	23%	0.227	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-8.6	177.1	0	0	0	0	0	114.2	P208 H287	P208-G289 WeakPolarHBondContact CB-O 3.49Å; H287-G289 PolarHBondContact ND1-N 3.05Å; H287-G289 PolarHBondContact O-N 2.83Å
290	L	94	Very high	94	Very high	26 Å²	26	63.3 Å²	63.3	14%	0.136	32%	0.324	C	S	.	.			trans	-97.6	127.8	-177.2	-60.2	173.7	0	0	0	110.8	P208 P209 M285 H287 E288 E292 L294	P208-L290 HydrophobicContact CB-CD2 3.86Å; P209-L290 HydrophobicContact CG-CD1 4.11Å; P209-L290 HydrophobicContact CG-CD2 4.4Å; P209-L290 HydrophobicContact CG-CG 4.41Å; M285-L290 HydrophobicContact CG-CD1 4.47Å; H287-L290 HydrophobicContact CB-CD1 3.87Å; H287-L290 HydrophobicContact CB-CG 4.08Å; H287-L290 WeakPolarHBondContact O-CB 3.22Å; H287-L290 PolarHBondContact O-N 3.05Å; E288-L290 PolarHBondContact O-N 2.97Å; L290-E292 VanDerWaalsContact C-N 3.3Å; L290-E292 PolarHBondContact O-N 2.87Å; L290-L294 HydrophobicContact CD1-CB 4.5Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.97Å; L290-L294 HydrophobicContact CD2-CD1 3.62Å; L290-L294 HydrophobicContact CD2-CG 3.96Å; L290-L294 HydrophobicContact CG-CD1 4.48Å
291	Q	90.9	Very high	92.5	Very high	202 Å²	202	63.2 Å²	63.2	94%	0.944	34%	0.34	S	S	*	.	S	Bend	trans	-67	-32.8	177.3	-64.8	-179.7	-2.7	0	0	112.5
292	E	92.3	Very high	90.2	Very high	157 Å²	157	68 Å²	68	73%	0.734	38%	0.375	S	S	*	.	S	Bend	trans	-141.5	151.6	175.3	-64.5	-175.9	173.9	0	0	108.7	L290 L294	L290-E292 VanDerWaalsContact C-N 3.3Å; L290-E292 PolarHBondContact O-N 2.87Å; E292-L294 PolarHBondContact O-N 3.45Å
293	P	94.1	Very high	87.8	Confident	76 Å²	76	74.4 Å²	74.4	49%	0.494	40%	0.403	S	S	.	.			trans	-54.5	131.5	174.2	-27.5	36.5	0	0	0	112.6	M285 Q286	M285-P293 CarbonylContact O-C 3.55Å; M285-P293 WeakPolarHBondContact O-CA 3.5Å; Q286-P293 HydrophobicContact CG-CB 4.03Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294	L	95.1	Very high	85.2	Confident	59 Å²	59	79.7 Å²	79.7	31%	0.309	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.7	177.3	-69.7	178.1	0	0	0	110.9	T211 H284 M285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.18Å; H284-L294 CarbonylContact C-O 3.52Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; M285-L294 HydrophobicContact CB-CB 4.37Å; M285-L294 PolarHBondContact N-O 3.15Å; M285-L294 PolarHBondContact O-N 3.26Å; L290-L294 HydrophobicContact CD1-CB 4.5Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.97Å; L290-L294 HydrophobicContact CD2-CD1 3.62Å; L290-L294 HydrophobicContact CD2-CG 3.96Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; E292-L294 PolarHBondContact O-N 3.45Å
295	T	96.7	Very high	83	Confident	77 Å²	77	83.4 Å²	83.4	47%	0.472	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.3	167.5	-52.4	0	0	0	0	109	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.96Å; C283-T295 CarbonylContact O-C 3.58Å; C283-T295 WeakPolarHBondContact O-CA 3.38Å; H284-T295 VanDerWaalsContact CE1-CG2 3.5Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.49Å; H284-T295 PolarHBondContact CE1-OG1 2.84Å; H284-T295 PolarHBondContact ND1-OG1 3.45Å
296	L	96.1	Very high	81.1	Confident	34 Å²	34	88.6 Å²	88.6	18%	0.178	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	119.4	-173.2	-58.6	165.8	0	0	0	110.6	T211 V213 T282 C283 M285	T211-L296 HydrophobicContact CG2-CD1 4.05Å; V213-L296 HydrophobicContact CG2-CB 3.96Å; T282-L296 WeakPolarHBondContact CA-O 3.39Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 3.44Å; C283-L296 PolarHBondContact O-N 3.43Å; M285-L296 HydrophobicContact CE-CD1 4.13Å
297	S	94.2	Very high	79.2	Confident	57 Å²	57	89 Å²	89	40%	0.399	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-90.5	169.6	165.2	57.4	0	0	0	0	110.8	V213	V213-S297 WeakPolarHBondContact CG2-O 3.27Å
298	W	94.6	Very high	77.6	Confident	46 Å²	46	94.7 Å²	94.7	17%	0.174	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-77.9	124.1	164	168.9	59	0	0	0	110.2	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.78Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.14Å; H215-W298 HydrophobicContact CB-CZ2 4.03Å; H215-W298 AromaticContact CG-CE2 3.83Å; H215-W298 AromaticContact CG-CZ2 3.83Å; L225-W298 HydrophobicContact CD1-CB 4.3Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.4Å; L225-W298 HydrophobicContact CD2-CG 3.99Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.73Å; Q279-W298 PolarHBondContact NE2-O 3.44Å; W298-P300 HydrophobicContact CE3-CG 4.26Å; W298-P300 HydrophobicContact CH2-CB 4.1Å; W298-P300 HydrophobicContact CH2-CG 3.8Å; W298-P300 HydrophobicContact CZ2-CB 3.96Å; W298-P300 HydrophobicContact CZ2-CG 4Å; W298-P300 HydrophobicContact CZ3-CG 3.92Å
299	E	87.4	Confident	75.9	Confident	160 Å²	160	99.7 Å²	99.7	75%	0.748	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-101.3	121	170.9	-164.9	163.3	-144.5	0	0	109.9	S301	E299-S301 PolarHBondContact O-N 3.35Å
300	P	80.6	Confident	74.6	Confident	68 Å²	68	100.8 Å²	100.8	44%	0.442	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-60	130.1	174.7	-21.1	31.8	0	0	0	110.2	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.26Å; W298-P300 HydrophobicContact CH2-CB 4.1Å; W298-P300 HydrophobicContact CH2-CG 3.8Å; W298-P300 HydrophobicContact CZ2-CB 3.96Å; W298-P300 HydrophobicContact CZ2-CG 4Å; W298-P300 HydrophobicContact CZ3-CG 3.92Å; P300-S302 PolarHBondContact O-N 3.1Å
301	S	64.3	Low	73.6	Confident	106 Å²	106	104 Å²	104	74%	0.741	58%	0.583	S	S	*	*			trans	-65.3	106.3	-173	51.8	0	0	0	0	111.5	E299 Q303	E299-S301 PolarHBondContact O-N 3.35Å; S301-Q303 PolarHBondContact O-N 3.46Å
302	S	49.9	Very low	72.8	Confident	109 Å²	109	98.7 Å²	98.7	76%	0.762	56%	0.564	S	S	*	*			trans	-73.7	62.4	173.8	56	0	0	0	0	110.8	P300 P304	P300-S302 PolarHBondContact O-N 3.1Å; S302-P304 WeakPolarHBondContact O-CD 3.41Å
303	Q	46.3	Very low	72	Confident	162 Å²	162	93.7 Å²	93.7	76%	0.757	55%	0.549	S	S	*	.			trans	-54.8	116.9	159	-75.8	-165.1	-11.8	0	0	106.9	S301 T305	S301-Q303 PolarHBondContact O-N 3.46Å; Q303-T305 PolarHBondContact O-N 2.88Å
304	P	44	Very low	71.3	Confident	112 Å²	112	91.8 Å²	91.8	73%	0.727	54%	0.543	S	S	*	.			trans	-65.1	114.2	174.7	26.7	-31.8	0	0	0	106.4	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.41Å; P304-I306 PolarHBondContact O-N 3.19Å
305	T	51.1	Low	70.8	Confident	135 Å²	135	93.8 Å²	93.8	83%	0.828	55%	0.554	S	S	*	*			trans	-65.4	83.2	171.8	-51.8	0	0	0	0	107.9	Q303 P307	Q303-T305 PolarHBondContact O-N 2.88Å; T305-P307 WeakPolarHBondContact O-CD 2.97Å; T305-P307 VanDerWaalsContact O-N 3.12Å
306	I	56	Low	70	Confident	109 Å²	109	92.8 Å²	92.8	56%	0.559	55%	0.553	S	S	*	*			trans	-49	123.1	174	-62.8	176.8	0	0	0	105.4	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.19Å; I306-I308 PolarHBondContact O-N 2.91Å; I306-I311 HydrophobicContact CG2-CD1 3.85Å
307	P	56.5	Low	69.5	Low	89 Å²	89	95.3 Å²	95.3	58%	0.578	57%	0.57	S	S	*	*			trans	-75.3	75.8	-173	29.2	-34.9	0	0	0	109.5	T305 M309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 2.97Å; T305-P307 VanDerWaalsContact O-N 3.12Å; P307-M309 PolarHBondContact O-N 2.88Å; P307-G310 WeakPolarHBondContact O-CA 3.23Å; P307-G310 PolarHBondContact O-N 2.84Å; P307-I311 PolarHBondContact O-N 2.75Å
308	I	61.4	Low	69	Low	120 Å²	120	98 Å²	98	62%	0.615	58%	0.58	S	S	*	*	H	α-helix	trans	-53.6	-39.9	177.9	-65.9	167.5	0	0	0	109.2	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 2.91Å; I308-G310 VanDerWaalsContact C-N 3.32Å; I308-G310 PolarHBondContact O-N 3.26Å; I308-I311 PolarHBondContact O-N 2.97Å; I308-V312 HydrophobicContact CG2-CG2 4.26Å; I308-V312 WeakPolarHBondContact O-CB 3.46Å; I308-V312 VanDerWaalsContact O-CG2 3.26Å; I308-V312 WeakPolarHBondContact O-CG2 3.37Å; I308-V312 PolarHBondContact O-N 3.25Å
309	M	56.4	Low	68.5	Low	167 Å²	167	100.3 Å²	100.3	82%	0.823	60%	0.598	S	S	*	*	H	α-helix	trans	-61	-36	173.5	-173.3	163.9	63.7	0	0	113.3	P307 A313	P307-M309 PolarHBondContact O-N 2.88Å; M309-A313 VanDerWaalsContact O-CB 3.24Å; M309-A313 WeakPolarHBondContact O-CB 3.45Å; M309-A313 PolarHBondContact O-N 2.66Å
310	G	65	Low	68.4	Low	46 Å²	46	96.8 Å²	96.8	47%	0.474	59%	0.587	S	S	.	*	H	α-helix	trans	-71.2	-40	174.3	0	0	0	0	0	112.9	P307 I308 A313 G314	P307-G310 WeakPolarHBondContact O-CA 3.23Å; P307-G310 PolarHBondContact O-N 2.84Å; I308-G310 VanDerWaalsContact C-N 3.32Å; I308-G310 PolarHBondContact O-N 3.26Å; G310-A313 PolarHBondContact O-N 2.77Å; G310-G314 PolarHBondContact O-N 2.79Å
311	I	73.3	Confident	68.5	Low	94 Å²	94	98.6 Å²	98.6	48%	0.482	59%	0.593	S	S	.	*	H	α-helix	trans	-65.2	-45.3	174.9	-62.2	172	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.85Å; P307-I311 PolarHBondContact O-N 2.75Å; I308-I311 PolarHBondContact O-N 2.97Å; I311-G314 PolarHBondContact O-N 3.26Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.26Å; I311-L315 WeakPolarHBondContact O-CG 3.48Å; I311-L315 PolarHBondContact O-N 3.36Å
312	V	74.3	Confident	69.4	Low	89 Å²	89	96.7 Å²	96.7	54%	0.539	58%	0.583	S	S	.	*	H	α-helix	trans	-63.1	-42.9	176.3	169.5	0	0	0	0	111.4	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.26Å; I308-V312 WeakPolarHBondContact O-CB 3.46Å; I308-V312 VanDerWaalsContact O-CG2 3.26Å; I308-V312 WeakPolarHBondContact O-CG2 3.37Å; I308-V312 PolarHBondContact O-N 3.25Å; V312-L315 PolarHBondContact O-N 3.08Å; V312-A316 WeakPolarHBondContact O-CB 3.07Å; V312-A316 PolarHBondContact O-N 3.17Å
313	A	74.4	Confident	71	Confident	52 Å²	52	95.5 Å²	95.5	43%	0.43	57%	0.571	S	S	.	*	H	α-helix	trans	-63.3	-44.1	175.1	0	0	0	0	0	112.2	M309 G310 A316 V317	M309-A313 VanDerWaalsContact O-CB 3.24Å; M309-A313 WeakPolarHBondContact O-CB 3.45Å; M309-A313 PolarHBondContact O-N 2.66Å; G310-A313 PolarHBondContact O-N 2.77Å; A313-A316 PolarHBondContact O-N 3.38Å; A313-V317 WeakPolarHBondContact O-CG2 3.4Å; A313-V317 PolarHBondContact O-N 2.9Å
314	G	79.5	Confident	72.7	Confident	36 Å²	36	92.6 Å²	92.6	37%	0.371	56%	0.56	S	S	.	*	H	α-helix	trans	-61.5	-43.6	176.1	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.79Å; I311-G314 PolarHBondContact O-N 3.26Å; G314-V317 PolarHBondContact O-N 3.38Å; G314-L318 WeakPolarHBondContact O-CG 3.33Å; G314-L318 PolarHBondContact O-N 3.03Å
315	L	84.3	Confident	74.4	Confident	102 Å²	102	88.9 Å²	88.9	53%	0.534	54%	0.542	S	S	.	.	H	α-helix	trans	-63.8	-42.3	174.5	-74.3	169.3	0	0	0	112.1	I311 V312 V317 L318 V319	I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.26Å; I311-L315 WeakPolarHBondContact O-CG 3.48Å; I311-L315 PolarHBondContact O-N 3.36Å; V312-L315 PolarHBondContact O-N 3.08Å; L315-V317 PolarHBondContact O-N 3.4Å; L315-L318 PolarHBondContact O-N 3.3Å; L315-V319 WeakPolarHBondContact O-CG2 3.35Å; L315-V319 PolarHBondContact O-N 3.48Å
316	A	81.1	Confident	75.7	Confident	55 Å²	55	85.4 Å²	85.4	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-61.3	-43.5	176.5	0	0	0	0	0	112	V312 A313 V319 V320	V312-A316 WeakPolarHBondContact O-CB 3.07Å; V312-A316 PolarHBondContact O-N 3.17Å; A313-A316 PolarHBondContact O-N 3.38Å; A316-V319 PolarHBondContact O-N 3.35Å; A316-V320 WeakPolarHBondContact O-CG2 3.38Å; A316-V320 PolarHBondContact O-N 3.34Å
317	V	84.6	Confident	76.7	Confident	88 Å²	88	83.7 Å²	83.7	53%	0.533	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-43.1	175.2	171.6	0	0	0	0	111.4	A313 G314 L315 V319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.4Å; A313-V317 PolarHBondContact O-N 2.9Å; G314-V317 PolarHBondContact O-N 3.38Å; L315-V317 PolarHBondContact O-N 3.4Å; V317-V319 PolarHBondContact O-N 3Å; V317-V320 PolarHBondContact O-N 3.49Å; V317-L321 HydrophobicContact CG1-CD1 3.9Å; V317-L321 HydrophobicContact CG1-CG 4.36Å; V317-L321 WeakPolarHBondContact O-CB 3.39Å; V317-L321 WeakPolarHBondContact O-CG 3.42Å; V317-L321 PolarHBondContact O-N 2.91Å
318	L	84.3	Confident	77.7	Confident	114 Å²	114	83.1 Å²	83.1	60%	0.597	52%	0.517	S	S	*	.	H	α-helix	trans	-61.1	-42.1	175.7	-80.5	166.2	0	0	0	112.6	G314 L315 L321 A322	G314-L318 WeakPolarHBondContact O-CG 3.33Å; G314-L318 PolarHBondContact O-N 3.03Å; L315-L318 PolarHBondContact O-N 3.3Å; L318-L321 PolarHBondContact O-N 2.9Å; L318-A322 WeakPolarHBondContact O-CB 2.96Å; L318-A322 PolarHBondContact O-N 3.17Å
319	V	83.9	Confident	78.3	Confident	94 Å²	94	81.4 Å²	81.4	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-64.1	-44	175.7	170.8	0	0	0	0	111.2	L315 A316 V317 L321 A322 V323	L315-V319 WeakPolarHBondContact O-CG2 3.35Å; L315-V319 PolarHBondContact O-N 3.48Å; A316-V319 PolarHBondContact O-N 3.35Å; V317-V319 PolarHBondContact O-N 3Å; V319-L321 PolarHBondContact O-N 3.27Å; V319-A322 PolarHBondContact O-N 2.92Å; V319-V323 WeakPolarHBondContact O-CG2 3.49Å; V319-V323 PolarHBondContact O-N 3.19Å
320	V	84.2	Confident	79	Confident	85 Å²	85	76 Å²	76	52%	0.515	49%	0.494	S	S	.	.	H	α-helix	trans	-61.4	-44.8	176.2	169.6	0	0	0	0	111.3	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.38Å; A316-V320 PolarHBondContact O-N 3.34Å; V317-V320 PolarHBondContact O-N 3.49Å; V320-A322 PolarHBondContact O-N 2.76Å; V320-V323 PolarHBondContact O-N 3.15Å; V320-L324 HydrophobicContact CG1-CD1 3.89Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 WeakPolarHBondContact O-CB 3.48Å; V320-L324 VanDerWaalsContact O-CG 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.48Å; V320-L324 PolarHBondContact O-N 3.23Å
321	L	84.3	Confident	79.2	Confident	107 Å²	107	79.8 Å²	79.8	56%	0.56	50%	0.501	S	S	*	.	H	α-helix	trans	-63.6	-40.1	176.6	-71.3	171.6	0	0	0	112.3	V317 L318 V319 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.9Å; V317-L321 HydrophobicContact CG1-CG 4.36Å; V317-L321 WeakPolarHBondContact O-CB 3.39Å; V317-L321 WeakPolarHBondContact O-CG 3.42Å; V317-L321 PolarHBondContact O-N 2.91Å; L318-L321 PolarHBondContact O-N 2.9Å; V319-L321 PolarHBondContact O-N 3.27Å; L321-L324 PolarHBondContact O-N 2.97Å; L321-G325 PolarHBondContact O-N 3.47Å
322	A	82.6	Confident	79	Confident	65 Å²	65	81.6 Å²	81.6	54%	0.537	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-43	176	0	0	0	0	0	112.2	L318 V319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 2.96Å; L318-A322 PolarHBondContact O-N 3.17Å; V319-A322 PolarHBondContact O-N 2.92Å; V320-A322 PolarHBondContact O-N 2.76Å; A322-G325 PolarHBondContact O-N 3.47Å; A322-A326 WeakPolarHBondContact O-CB 3.49Å; A322-A326 PolarHBondContact O-N 2.86Å
323	V	83.1	Confident	78.4	Confident	85 Å²	85	81.1 Å²	81.1	52%	0.515	51%	0.508	S	S	.	.	H	α-helix	trans	-64.6	-44.3	175.5	172.1	0	0	0	0	111.1	V319 V320 G325 A326 V327	V319-V323 WeakPolarHBondContact O-CG2 3.49Å; V319-V323 PolarHBondContact O-N 3.19Å; V320-V323 PolarHBondContact O-N 3.15Å; V323-G325 PolarHBondContact O-N 3.02Å; V323-A326 PolarHBondContact O-N 3.03Å; V323-V327 HydrophobicContact CG1-CG2 4.46Å; V323-V327 WeakPolarHBondContact O-CG2 3.29Å; V323-V327 PolarHBondContact O-N 2.76Å
324	L	81.8	Confident	77.6	Confident	100 Å²	100	88.3 Å²	88.3	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-61.9	-43.4	175.9	-71.7	170.7	0	0	0	111.8	V320 L321 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.89Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 WeakPolarHBondContact O-CB 3.48Å; V320-L324 VanDerWaalsContact O-CG 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.48Å; V320-L324 PolarHBondContact O-N 3.23Å; L321-L324 PolarHBondContact O-N 2.97Å; L324-V327 PolarHBondContact O-N 2.77Å; L324-V328 WeakPolarHBondContact O-CG2 3.37Å; L324-V328 PolarHBondContact O-N 3.24Å
325	G	79.7	Confident	76.5	Confident	34 Å²	34	97 Å²	97	35%	0.351	55%	0.546	S	S	.	.	H	α-helix	trans	-61.2	-42.5	174.7	0	0	0	0	0	112.9	L321 A322 V323 V328 T329	L321-G325 PolarHBondContact O-N 3.47Å; A322-G325 PolarHBondContact O-N 3.47Å; V323-G325 PolarHBondContact O-N 3.02Å; G325-V328 PolarHBondContact O-N 2.98Å; G325-T329 WeakPolarHBondContact O-CB 3.47Å; G325-T329 PolarHBondContact O-N 3.31Å; G325-T329 PolarHBondContact O-OG1 2.87Å
326	A	78.3	Confident	74.9	Confident	62 Å²	62	100.9 Å²	100.9	51%	0.512	56%	0.559	S	S	.	*	H	α-helix	trans	-64.3	-41.9	175.1	0	0	0	0	0	112.2	A322 V323 T329 A330	A322-A326 WeakPolarHBondContact O-CB 3.49Å; A322-A326 PolarHBondContact O-N 2.86Å; V323-A326 PolarHBondContact O-N 3.03Å; A326-T329 PolarHBondContact O-N 2.93Å; A326-A330 VanDerWaalsContact O-CB 3.29Å; A326-A330 WeakPolarHBondContact O-CB 3.32Å; A326-A330 PolarHBondContact O-N 3.12Å
327	V	78.8	Confident	73.5	Confident	73 Å²	73	102.8 Å²	102.8	44%	0.442	57%	0.568	S	S	.	*	H	α-helix	trans	-64.6	-44.7	175.9	169.2	0	0	0	0	111.5	V323 L324 T329 A330 M331	V323-V327 HydrophobicContact CG1-CG2 4.46Å; V323-V327 WeakPolarHBondContact O-CG2 3.29Å; V323-V327 PolarHBondContact O-N 2.76Å; L324-V327 PolarHBondContact O-N 2.77Å; V327-T329 PolarHBondContact O-N 3.49Å; V327-A330 PolarHBondContact O-N 2.73Å; V327-M331 WeakPolarHBondContact O-CB 3.42Å; V327-M331 WeakPolarHBondContact O-CG 3.31Å; V327-M331 PolarHBondContact O-N 3.09Å
328	V	77.5	Confident	71.8	Confident	78 Å²	78	103.6 Å²	103.6	47%	0.473	58%	0.578	S	S	.	*	H	α-helix	trans	-61.3	-45.5	175.5	170	0	0	0	0	110.6	L324 G325 M331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.37Å; L324-V328 PolarHBondContact O-N 3.24Å; G325-V328 PolarHBondContact O-N 2.98Å; V328-M331 PolarHBondContact O-N 3.37Å; V328-M332 HydrophobicContact CG1-CG 4.49Å; V328-M332 HydrophobicContact CG1-SD 4.11Å; V328-M332 WeakPolarHBondContact O-CG 3.12Å; V328-M332 PolarHBondContact O-N 2.88Å
329	T	72.4	Confident	69.7	Low	83 Å²	83	101.3 Å²	101.3	51%	0.509	58%	0.582	S	S	.	*	H	α-helix	trans	-60.8	-47.8	177.3	-56.2	0	0	0	0	111.2	G325 A326 V327 M331 M332 C333	G325-T329 WeakPolarHBondContact O-CB 3.47Å; G325-T329 PolarHBondContact O-N 3.31Å; G325-T329 PolarHBondContact O-OG1 2.87Å; A326-T329 PolarHBondContact O-N 2.93Å; V327-T329 PolarHBondContact O-N 3.49Å; T329-M331 VanDerWaalsContact C-N 3.34Å; T329-M331 PolarHBondContact O-N 3.48Å; T329-M332 PolarHBondContact O-N 2.96Å; T329-C333 PolarHBondContact O-N 2.67Å; T329-C333 PolarHBondContact O-SG 2.73Å; T329-C333 VanDerWaalsContact O-SG 3.37Å
330	A	71.8	Confident	67.5	Low	55 Å²	55	100.5 Å²	100.5	46%	0.455	59%	0.593	S	S	.	*	H	α-helix	trans	-62.6	-38.1	177.3	0	0	0	0	0	112.7	A326 V327 R334	A326-A330 VanDerWaalsContact O-CB 3.29Å; A326-A330 WeakPolarHBondContact O-CB 3.32Å; A326-A330 PolarHBondContact O-N 3.12Å; V327-A330 PolarHBondContact O-N 2.73Å; A330-R334 WeakPolarHBondContact O-CB 3.45Å; A330-R334 PolarHBondContact O-N 3.15Å
331	M	70.1	Confident	65.1	Low	124 Å²	124	106.9 Å²	106.9	61%	0.611	61%	0.614	S	S	*	*	H	α-helix	trans	-67.6	-40.5	173.7	-74.1	-144.2	-67.5	0	0	112.2	V327 V328 T329 R334 R335	V327-M331 WeakPolarHBondContact O-CB 3.42Å; V327-M331 WeakPolarHBondContact O-CG 3.31Å; V327-M331 PolarHBondContact O-N 3.09Å; V328-M331 PolarHBondContact O-N 3.37Å; T329-M331 VanDerWaalsContact C-N 3.34Å; T329-M331 PolarHBondContact O-N 3.48Å; M331-R334 PolarHBondContact O-N 3.12Å; M331-R335 WeakPolarHBondContact O-CB 3.3Å; M331-R335 PolarHBondContact O-N 3.35Å
332	M	68.7	Low	62.7	Low	132 Å²	132	105.8 Å²	105.8	65%	0.65	63%	0.628	S	S	*	*	H	α-helix	trans	-65.6	-40.7	175.1	-71	-177.6	75	0	0	111.9	V328 T329 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.49Å; V328-M332 HydrophobicContact CG1-SD 4.11Å; V328-M332 WeakPolarHBondContact O-CG 3.12Å; V328-M332 PolarHBondContact O-N 2.88Å; T329-M332 PolarHBondContact O-N 2.96Å; M332-R335 PolarHBondContact O-N 3.38Å; M332-K336 WeakPolarHBondContact O-CB 3.4Å; M332-K336 PolarHBondContact O-N 3.19Å
333	C	60.4	Low	60.2	Low	79 Å²	79	106.8 Å²	106.8	53%	0.534	64%	0.644	S	S	.	*	H	α-helix	trans	-60.4	-46.9	171.5	-71.2	0	0	0	0	111.8	T329 R335 K336 S337	T329-C333 PolarHBondContact O-N 2.67Å; T329-C333 PolarHBondContact O-SG 2.73Å; T329-C333 VanDerWaalsContact O-SG 3.37Å; C333-R335 VanDerWaalsContact C-N 3.33Å; C333-R335 PolarHBondContact O-N 2.97Å; C333-K336 PolarHBondContact O-N 2.88Å; C333-K336 VanDerWaalsContact O-N 3.08Å; C333-S337 PolarHBondContact O-N 2.91Å; C333-S337 PolarHBondContact O-OG 3.27Å
334	R	58.9	Low	57.9	Low	204 Å²	204	108.3 Å²	108.3	77%	0.77	66%	0.659	S	S	*	*	H	α-helix	trans	-62.9	-35	175.6	-82.4	-175.2	164.1	-172.6	-4.7	113.4	A330 M331 K336 S337	A330-R334 WeakPolarHBondContact O-CB 3.45Å; A330-R334 PolarHBondContact O-N 3.15Å; M331-R334 PolarHBondContact O-N 3.12Å; R334-K336 VanDerWaalsContact C-N 3.3Å; R334-S337 WeakPolarHBondContact CA-OG 3.12Å; R334-S337 PolarHBondContact O-OG 3.14Å; R334-S337 VanDerWaalsContact O-OG 3.04Å
335	R	56.1	Low	55.6	Low	218 Å²	218	109 Å²	109	82%	0.823	67%	0.671	S	S	*	*	H	α-helix	trans	-70.4	-25.2	173.8	-129.1	177.1	-175.5	177.8	1	112.8	M331 M332 C333	M331-R335 WeakPolarHBondContact O-CB 3.3Å; M331-R335 PolarHBondContact O-N 3.35Å; M332-R335 PolarHBondContact O-N 3.38Å; C333-R335 VanDerWaalsContact C-N 3.33Å; C333-R335 PolarHBondContact O-N 2.97Å
336	K	50	Low	53.3	Low	184 Å²	184	112.8 Å²	112.8	80%	0.8	69%	0.692	S	S	*	*	H	α-helix	trans	-89.9	-15.1	178.1	-161.7	166.3	-177	177.1	0	113.5	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.4Å; M332-K336 PolarHBondContact O-N 3.19Å; C333-K336 PolarHBondContact O-N 2.88Å; C333-K336 VanDerWaalsContact O-N 3.08Å; R334-K336 VanDerWaalsContact C-N 3.3Å
337	S	51.5	Low	51.2	Low	94 Å²	94	119.1 Å²	119.1	66%	0.657	71%	0.711	S	S	*	*	S	Bend	trans	-89	-1.1	176.4	58.4	0	0	0	0	115.2	C333 R334	C333-S337 PolarHBondContact O-N 2.91Å; C333-S337 PolarHBondContact O-OG 3.27Å; R334-S337 WeakPolarHBondContact CA-OG 3.12Å; R334-S337 PolarHBondContact O-OG 3.14Å; R334-S337 VanDerWaalsContact O-OG 3.04Å
338	S	50	Low	49.1	Very low	105 Å²	105	120 Å²	120	73%	0.734	73%	0.726	S	S	*	*	S	Bend	trans	-99.4	23.2	-179.7	71	0	0	0	0	114.5
339	G	39.9	Very low	46.7	Very low	66 Å²	66	121.2 Å²	121.2	68%	0.68	74%	0.744	S	S	*	*	S	Bend	trans	-148.1	121.2	170.9	0	0	0	0	0	108.2
340	G	38.2	Very low	44.7	Very low	77 Å²	77	122.7 Å²	122.7	79%	0.794	76%	0.757	S	S	*	*			trans	-127.8	177.4	-160.5	0	0	0	0	0	116.3
341	K	33.6	Very low	42.9	Very low	220 Å²	220	124.7 Å²	124.7	96%	0.957	77%	0.767	S	S	*	*			trans	82.3	113.3	154.9	-155.5	174.2	-171.4	175.8	0	117.5
342	G	32.8	Very low	41.3	Very low	83 Å²	83	126 Å²	126	86%	0.856	78%	0.777	S	S	*	*			trans	144.6	141	159.1	0	0	0	0	0	115.1
343	G	31.1	Very low	39.9	Very low	86 Å²	86	125.1 Å²	125.1	89%	0.887	78%	0.783	S	S	*	*			trans	108.9	133.4	169.8	0	0	0	0	0	115
344	S	34.3	Very low	38.9	Very low	118 Å²	118	125.6 Å²	125.6	83%	0.825	79%	0.793	S	S	*	*			trans	-132.7	140.2	-179.8	-174.6	0	0	0	0	111.9
345	C	34.5	Very low	37.7	Very low	114 Å²	114	125.8 Å²	125.8	77%	0.77	80%	0.803	S	S	*	*			trans	21.6	127.2	152.1	-161.7	0	0	0	0	120.8
346	S	31	Very low	36.5	Very low	113 Å²	113	118.3 Å²	118.3	79%	0.79	79%	0.793	S	S	*	*				-164.9	118.9	125.7	16.4	0	0	0	0	114.2
347	Q	32.8	Very low	36	Very low	196 Å²	196	114.6 Å²	114.6	92%	0.916	79%	0.791	S	S	*	*			trans	52.5	148.7	134.8	-147.8	153.5	-6	0	0	123
348	A	34.9	Very low	35.4	Very low	92 Å²	92	117.6 Å²	117.6	76%	0.76	80%	0.799	S	S	*	*			trans	-94	169.6	-170.4	0	0	0	0	0	115
349	A	28.7	Very low	34.6	Very low	103 Å²	103	119.6 Å²	119.6	85%	0.851	80%	0.797	S	S	*	*			trans	-142.5	149.7	156.9	0	0	0	0	0	110
350	C	28.9	Very low	34.3	Very low	114 Å²	114	120.6 Å²	120.6	77%	0.77	79%	0.794	S	S	*	*			trans	-129.5	153.5	-178.7	-73.5	0	0	0	0	112.3
351	S	35	Very low	34.1	Very low	97 Å²	97	124 Å²	124	68%	0.678	79%	0.793	S	S	*	*			trans	70.3	139.8	143.2	63.5	0	0	0	0	122.6
352	N	36.2	Very low	34.2	Very low	152 Å²	152	121.6 Å²	121.6	81%	0.813	79%	0.789	S	S	*	*			trans	72.3	156.5	153.9	-55.7	-14.7	0	0	0	117.5
353	S	39.8	Very low	34.1	Very low	112 Å²	112	122.9 Å²	122.9	78%	0.783	78%	0.78	S	S	*	*			cis	-136.5	160.8	4.7	33.3	0	0	0	0	110.4
354	A	38	Very low	34	Very low	89 Å²	89	124.3 Å²	124.3	74%	0.736	78%	0.776	S	S	*	*			cis	99.5	101.7	19.7	0	0	0	0	0	116.1
355	Q	35.3	Very low	33.9	Very low	208 Å²	208	127.9 Å²	127.9	97%	0.972	78%	0.776	S	S	*	*			trans	-173.8	138.9	157	-109.8	173.1	-12.7	0	0	109
356	G	30.8	Very low	34.1	Very low	61 Å²	61	130.5 Å²	130.5	63%	0.629	81%	0.806	S	S	*	*			cis	172.6	156.2	-12.7	0	0	0	0	0	112.9
357	S	39.4	Very low	34.2	Very low	107 Å²	107	131.4 Å²	131.4	75%	0.748	81%	0.806	S	S	*	*			trans	58.5	146.6	160.1	54.5	0	0	0	0	120.8
358	D	37.9	Very low	34.3	Very low	157 Å²	157	127.9 Å²	127.9	84%	0.84	80%	0.801	S	S	*	*			cis	-167.1	-174.8	-20.4	-88.4	-35.6	0	0	0	105.5
359	E	34.4	Very low	34.3	Very low	146 Å²	146	129.9 Å²	129.9	68%	0.682	80%	0.803	S	S	*	*			cis	-161.3	170.2	8.5	-143.6	-77.4	92.7	0	0	108.4
360	S	33.1	Very low	34.6	Very low	88 Å²	88	131.5 Å²	131.5	62%	0.615	80%	0.8	S	S	*	*			trans	64	117.9	161.6	63.6	0	0	0	0	118.5
361	L	33.1	Very low	35	Very low	149 Å²	149	132.6 Å²	132.6	78%	0.78	80%	0.802	S	S	*	*				73.7	105.3	58	-71.5	166.1	0	0	0	115.2
362	I	35.7	Very low	35	Very low	168 Å²	168	135 Å²	135	86%	0.862	81%	0.81	S	S	*	*				-169.3	157.4	111.6	-97	161.6	0	0	0	111.6
363	T	30.5	Very low	34.9	Very low	111 Å²	111	133.8 Å²	133.8	68%	0.681	81%	0.81	S	S	*	*			trans	-81.6	153.2	-162.8	54.1	0	0	0	0	116.9
364	C	29.8	Very low	34.5	Very low	116 Å²	116	135.5 Å²	135.5	78%	0.784	81%	0.812	S	S	*	*			trans	52.5	159.9	130.6	-58.1	0	0	0	0	120.3
365	K	31.6	Very low	34.2	Very low	193 Å²	193	139.3 Å²	139.3	84%	0.839	82%	0.818	S	S	*	*			cis	-161.4	164.9	11.5	-145.6	176.9	-178.6	-179.5	0	110.1
366	A	39.2	Very low	34.1	Very low	168 Å²	168	133.1 Å²	133.1	100%	1.388	80%	0.804	S	S	*	*			trans	45.5	0	149.3	0	0	0	0	0	117.5

Retrieved 366 of 366 residues in 106.2 ms (Link to these results)

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