A0A060VD00_HUMAN Loading...

MHC class I antigen

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

AlphaFold DB , UniProt , Accession A0A060VD00, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	45.2	Very low	243 Å²	243	146.7 Å²	146.7	100%	1.197	74%	0.737	S	S	*	*				0	103.3	0	-76.2	165.7	162.5	0	0	108.1
2	R	36.5	Very low	45.3	Very low	253 Å²	253	145.3 Å²	145.3	96%	0.955	73%	0.732	S	S	*	*			trans	-88.1	107.9	170.7	-103.8	-179.6	174.8	166.9	-1.7	106.5	M4	R2-M4 PolarHBondContact O-N 3.15Å; R2-M4 VanDerWaalsContact O-N 3.15Å
3	V	40.3	Very low	45	Very low	139 Å²	139	141.8 Å²	141.8	84%	0.842	72%	0.716	S	S	*	*			trans	-72.7	105.1	172	179.5	0	0	0	0	106.6	A5	V3-A5 PolarHBondContact O-N 3.34Å
4	M	44.3	Very low	44.9	Very low	178 Å²	178	136.1 Å²	136.1	88%	0.877	70%	0.696	S	S	*	*			trans	-83.4	100.9	176.9	-153.1	166.3	67.4	0	0	106.6	R2	R2-M4 PolarHBondContact O-N 3.15Å; R2-M4 VanDerWaalsContact O-N 3.15Å
5	A	48.8	Very low	44.8	Very low	61 Å²	61	129.2 Å²	129.2	50%	0.504	67%	0.672	S	S	.	*			trans	-59.4	138.7	175	0	0	0	0	0	109.3	V3 R7	V3-A5 PolarHBondContact O-N 3.34Å; A5-R7 PolarHBondContact O-N 3.28Å
6	P	47	Very low	44.6	Very low	75 Å²	75	124.4 Å²	124.4	49%	0.487	66%	0.657	S	S	.	*			trans	-63.2	127.3	-177.9	-14	27.2	0	0	0	109.6	T8 L9	P6-T8 WeakPolarHBondContact CB-OG1 3.49Å; P6-T8 PolarHBondContact O-N 2.89Å; P6-L9 WeakPolarHBondContact O-CB 3.44Å; P6-L9 PolarHBondContact O-N 3.03Å
7	R	51.1	Low	44	Very low	223 Å²	223	123.7 Å²	123.7	84%	0.842	65%	0.653	S	S	*	*	H	α-helix	trans	-53.2	-24.5	175.4	-89	178	160.1	143.1	-6.1	113.3	A5 L11	A5-R7 PolarHBondContact O-N 3.28Å; R7-L11 PolarHBondContact O-N 3.28Å
8	T	51.1	Low	43.6	Very low	99 Å²	99	120.1 Å²	120.1	61%	0.607	64%	0.643	S	S	*	*	H	α-helix	trans	-68.2	-32.8	173.8	33.6	0	0	0	0	113.6	P6 L12	P6-T8 WeakPolarHBondContact CB-OG1 3.49Å; P6-T8 PolarHBondContact O-N 2.89Å; T8-L12 PolarHBondContact O-N 3.33Å
9	L	45.7	Very low	43.3	Very low	100 Å²	100	119.6 Å²	119.6	52%	0.524	64%	0.64	S	S	.	*	H	α-helix	trans	-73.4	-35.2	178.3	-145.3	91.3	0	0	0	111.5	P6 L13	P6-L9 WeakPolarHBondContact O-CB 3.44Å; P6-L9 PolarHBondContact O-N 3.03Å; L9-L13 WeakPolarHBondContact O-CD1 3.24Å; L9-L13 PolarHBondContact O-N 3.19Å
10	L	46.1	Very low	42.9	Very low	120 Å²	120	118.5 Å²	118.5	63%	0.628	64%	0.638	S	S	*	*	H	α-helix	trans	-67	-39	175.9	-117.6	93.9	0	0	0	111.8	L13 S14	L10-L13 PolarHBondContact O-N 2.98Å; L10-S14 PolarHBondContact O-N 2.86Å; L10-S14 PolarHBondContact O-OG 3.01Å
11	L	52	Low	42.6	Very low	123 Å²	123	120.6 Å²	120.6	64%	0.644	64%	0.644	S	S	*	*	H	α-helix	trans	-67.3	-39.9	178.9	-77.1	166	0	0	0	112.5	R7 S14 G15	R7-L11 PolarHBondContact O-N 3.28Å; L11-S14 VanDerWaalsContact CA-OG 3.24Å; L11-S14 WeakPolarHBondContact CA-OG 3.35Å; L11-S14 PolarHBondContact O-N 2.94Å; L11-S14 PolarHBondContact O-OG 2.89Å; L11-G15 PolarHBondContact O-N 3.4Å
12	L	47	Very low	42.9	Very low	129 Å²	129	114 Å²	114	68%	0.675	62%	0.617	S	S	*	*	H	α-helix	trans	-64.4	-38.9	174.5	-77.3	163.7	0	0	0	112.3	T8 G15 A16	T8-L12 PolarHBondContact O-N 3.33Å; L12-G15 PolarHBondContact O-N 3.04Å; L12-A16 WeakPolarHBondContact O-CB 3.49Å; L12-A16 PolarHBondContact O-N 3.38Å
13	L	41	Very low	43.6	Very low	101 Å²	101	106.6 Å²	106.6	53%	0.529	59%	0.589	S	S	.	*	H	α-helix	trans	-69	-35.8	175.3	-78.6	160.3	0	0	0	112.4	L9 L10 L17	L9-L13 WeakPolarHBondContact O-CD1 3.24Å; L9-L13 PolarHBondContact O-N 3.19Å; L10-L13 PolarHBondContact O-N 2.98Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CD1 3.46Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 2.82Å
14	S	44.1	Very low	44.2	Very low	61 Å²	61	102.3 Å²	102.3	43%	0.427	57%	0.569	S	S	.	*	H	α-helix	trans	-71.5	-31.6	173.9	41.4	0	0	0	0	113.6	L10 L11 A18	L10-S14 PolarHBondContact O-N 2.86Å; L10-S14 PolarHBondContact O-OG 3.01Å; L11-S14 VanDerWaalsContact CA-OG 3.24Å; L11-S14 WeakPolarHBondContact CA-OG 3.35Å; L11-S14 PolarHBondContact O-N 2.94Å; L11-S14 PolarHBondContact O-OG 2.89Å; S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 3.35Å
15	G	43	Very low	45.5	Very low	33 Å²	33	96.6 Å²	96.6	34%	0.34	55%	0.545	S	S	.	.	H	α-helix	trans	-69.9	-39.9	172.5	0	0	0	0	0	112.4	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.4Å; L12-G15 PolarHBondContact O-N 3.04Å; G15-A18 PolarHBondContact O-N 2.66Å; G15-L19 WeakPolarHBondContact O-CB 3.41Å; G15-L19 WeakPolarHBondContact O-CD1 3.32Å; G15-L19 PolarHBondContact O-N 3.03Å
16	A	41.3	Very low	47.4	Very low	52 Å²	52	97.1 Å²	97.1	43%	0.43	55%	0.545	S	S	.	.	H	α-helix	trans	-66.9	-40.3	174.8	0	0	0	0	0	112.5	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.49Å; L12-A16 PolarHBondContact O-N 3.38Å; A16-L19 PolarHBondContact O-N 2.62Å; A16-T20 WeakPolarHBondContact O-CG2 3.22Å; A16-T20 PolarHBondContact O-N 2.98Å; A16-T20 VanDerWaalsContact O-N 3.08Å; A16-T20 PolarHBondContact O-OG1 3.44Å
17	L	34.9	Very low	49.7	Very low	113 Å²	113	95 Å²	95	59%	0.592	53%	0.529	S	S	*	.	H	α-helix	trans	-67.6	-38.1	176	-77.2	163.2	0	0	0	112.5	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CD1 3.46Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 2.82Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-T20 WeakPolarHBondContact CA-OG1 3.25Å; L17-T20 PolarHBondContact O-N 3.04Å; L17-T20 PolarHBondContact O-OG1 3.05Å; L17-E21 PolarHBondContact O-N 2.7Å
18	A	36.4	Very low	51.9	Low	58 Å²	58	85.5 Å²	85.5	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-68.5	-30	174.9	0	0	0	0	0	113.1	S14 G15	S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 3.35Å; G15-A18 PolarHBondContact O-N 2.66Å
19	L	37.1	Very low	54.1	Low	111 Å²	111	80.8 Å²	80.8	58%	0.581	47%	0.468	S	S	*	.	H	α-helix	trans	-76.5	-26.8	174.3	-85.7	157.1	0	0	0	113	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.41Å; G15-L19 WeakPolarHBondContact O-CD1 3.32Å; G15-L19 PolarHBondContact O-N 3.03Å; A16-L19 PolarHBondContact O-N 2.62Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L19-T22 PolarHBondContact O-OG1 2.81Å
20	T	36.2	Very low	56.7	Low	97 Å²	97	78.3 Å²	78.3	60%	0.595	45%	0.452	S	S	*	.	H	α-helix	trans	-84.1	-25.6	177.9	51.9	0	0	0	0	114	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.22Å; A16-T20 PolarHBondContact O-N 2.98Å; A16-T20 VanDerWaalsContact O-N 3.08Å; A16-T20 PolarHBondContact O-OG1 3.44Å; L17-T20 WeakPolarHBondContact CA-OG1 3.25Å; L17-T20 PolarHBondContact O-N 3.04Å; L17-T20 PolarHBondContact O-OG1 3.05Å; T20-T22 VanDerWaalsContact C-N 3.33Å
21	E	35.9	Very low	59.2	Low	164 Å²	164	73 Å²	73	77%	0.766	42%	0.423	S	S	*	.	H	α-helix	trans	-75	-19	179.7	-101.4	-176.8	166.6	0	0	113.6	L17 W23	L17-E21 PolarHBondContact O-N 2.7Å; E21-W23 VanDerWaalsContact C-N 3.31Å; E21-W23 PolarHBondContact O-N 3.04Å
22	T	41.6	Very low	61.4	Low	103 Å²	103	71.1 Å²	71.1	63%	0.632	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	1.3	-176.4	46.5	0	0	0	0	114.7	L19 T20	L19-T22 PolarHBondContact O-OG1 2.81Å; T20-T22 VanDerWaalsContact C-N 3.33Å
23	W	50.5	Low	63.9	Low	99 Å²	99	65.4 Å²	65.4	38%	0.375	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	16.5	-173.7	-71.3	71.7	0	0	0	113.5	E21 C25 H287 E288 L290	E21-W23 VanDerWaalsContact C-N 3.31Å; E21-W23 PolarHBondContact O-N 3.04Å; W23-C25 PolarHBondContact O-N 2.97Å; W23-H287 WeakPolarHBondContact CH2-O 3.25Å; W23-E288 HydrophobicContact CD2-CG 4.41Å; W23-E288 HydrophobicContact CE3-CB 4.36Å; W23-E288 HydrophobicContact CE3-CG 3.77Å; W23-E288 VanDerWaalsContact CH2-C 3.47Å; W23-E288 HydrophobicContact CZ3-CB 4.27Å; W23-E288 HydrophobicContact CZ3-CG 4.1Å; W23-E288 WeakPolarHBondContact CZ3-O 3.38Å; W23-L290 WeakPolarHBondContact CH2-O 3.24Å; W23-L290 WeakPolarHBondContact CZ3-O 3.27Å
24	A	53.1	Low	66.6	Low	49 Å²	49	62.5 Å²	62.5	41%	0.405	37%	0.366	S	S	.	.	S	Bend	trans	-80	101.8	171.4	0	0	0	0	0	107.1	S26 P129	A24-S26 PolarHBondContact O-N 3.18Å; A24-P129 HydrophobicContact CB-CB 3.71Å; A24-P129 HydrophobicContact CB-CG 3.16Å
25	C	71.8	Confident	69.2	Low	57 Å²	57	59.7 Å²	59.7	39%	0.385	35%	0.346	S	S	.	.			trans	-53.8	105.2	-173	-54	0	0	0	0	111	W23 E288	W23-C25 PolarHBondContact O-N 2.97Å; C25-E288 PolarHBondContact SG-OE1 2.87Å
26	S	89.6	Confident	71.8	Confident	73 Å²	73	59.6 Å²	59.6	51%	0.51	34%	0.339	S	S	.	.			trans	-86.2	144.5	166.4	57.3	0	0	0	0	109	A24 L127	A24-S26 PolarHBondContact O-N 3.18Å; S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 3.47Å; S26-L127 WeakPolarHBondContact CB-O 3.48Å
27	H	94.4	Very high	74.4	Confident	30 Å²	30	58 Å²	58	14%	0.139	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.9	177.6	-67.8	-76	0	0	0	110.6	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.5Å; H27-D53 IonicContact CE1-OD2 2.77Å; H27-D53 IonicContact CG-OD2 3.69Å; H27-D53 IonicContact ND1-OD1 3.44Å; H27-D53 IonicContact ND1-OD2 3.64Å; H27-D53 PolarHBondContact ND1-OD2 2.88Å; H27-D126 CarbonylContact O-C 3.55Å; H27-D126 WeakPolarHBondContact O-CA 3.39Å; H27-L127 PolarHBondContact N-O 2.66Å; H27-L127 VanDerWaalsContact N-O 3.16Å; H27-L127 PolarHBondContact O-N 2.82Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.38Å
28	S	97.1	Very high	76.9	Confident	24 Å²	24	56 Å²	56	17%	0.168	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.5	-179.5	66.6	0	0	0	0	111.8	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.52Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; S28-D53 PolarHBondContact N-OD1 2.79Å; S28-D53 PolarHBondContact O-N 3.2Å; S28-D53 PolarHBondContact OG-OD1 2.8Å; S28-C125 WeakPolarHBondContact CA-O 3.34Å; S28-D126 WeakPolarHBondContact CB-OD1 3.33Å
29	M	98.5	Very high	79	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	120.6	168.4	-175.4	171.9	62.4	0	0	108.3	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.25Å; M29-Y31 HydrophobicContact CG-CE2 4.14Å; M29-Y31 HydrophobicContact SD-CE2 4.1Å; M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.49Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; M29-F57 HydrophobicContact CG-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.47Å; M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; M29-C125 PolarHBondContact N-O 3.44Å; M29-C125 PolarHBondContact O-N 3.18Å; M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 WeakPolarHBondContact CE-O 3.43Å; M29-C188 WeakPolarHBondContact CE-SG 3.47Å; M29-W191 HydrophobicContact CE-CB 3.98Å; M29-W191 HydrophobicContact SD-CB 4.3Å; M29-L192 HydrophobicContact CB-CB 4.03Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.22Å; M29-L192 HydrophobicContact CE-CB 4.35Å; M29-L192 HydrophobicContact SD-CB 4.42Å; M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å
30	R	98.6	Very high	80.8	Confident	48 Å²	48	56.6 Å²	56.6	18%	0.181	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.8	-175.4	-55.7	-62.8	-177.5	75.3	1.9	110.9	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.42Å; R30-F32 HydrophobicContact CB-CE2 3.58Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; R30-G50 CarbonylContact O-C 3.53Å; R30-G50 WeakPolarHBondContact O-CA 3.38Å; R30-Y51 PolarHBondContact N-O 3.36Å; R30-Y51 PolarHBondContact O-N 2.94Å; R30-D126 IonicContact CZ-OD1 3.22Å; R30-D126 IonicContact NE-OD1 2.81Å; R30-D126 PolarHBondContact NE-OD1 2.75Å; R30-D126 VanDerWaalsContact NE-OD1 3.08Å; R30-D126 IonicContact NH2-OD1 2.66Å; R30-D126 PolarHBondContact NH2-OD1 3.06Å; R30-D126 IonicContact NH2-OD2 3.91Å; R30-D126 PolarHBondContact NH2-OD2 2.86Å; R30-Y137 PolarHBondContact NH2-OH 3.2Å
31	Y	98.8	Very high	82.8	Confident	8 Å²	8	60.9 Å²	60.9	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.8	169.8	-70.9	-92	0	0	0	109.6	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.25Å; M29-Y31 HydrophobicContact CG-CE2 4.14Å; M29-Y31 HydrophobicContact SD-CE2 4.1Å; Y31-Y33 HydrophobicContact CD1-CE1 4.34Å; Y31-V49 CarbonylContact C-O 3.45Å; Y31-V49 WeakPolarHBondContact CA-O 3.34Å; Y31-F57 HydrophobicContact CE1-CZ 4.02Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; Y31-V58 HydrophobicContact CE1-CG1 3.99Å; Y31-M122 WeakPolarHBondContact O-CA 3.34Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.47Å; Y31-Y123 HydrophobicContact CD2-CD2 4.37Å; Y31-Y123 AromaticContact CD2-CE2 3.58Å; Y31-Y123 HydrophobicContact CD2-CE2 3.58Å; Y31-Y123 AromaticContact CD2-CZ 3.81Å; Y31-Y123 HydrophobicContact CE2-CE2 4.37Å; Y31-Y123 HydrophobicContact CG-CE1 4.35Å; Y31-Y123 AromaticContact CG-CE2 3.98Å; Y31-Y123 HydrophobicContact CG-CE2 3.98Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 2.9Å; Y31-Y123 PolarHBondContact O-N 3.03Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å
32	F	98.8	Very high	85	Confident	84 Å²	84	55.7 Å²	55.7	37%	0.368	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.2	178.2	-56.8	-96.6	0	0	0	109.4	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.42Å; R30-F32 HydrophobicContact CB-CE2 3.58Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; F32-A48 WeakPolarHBondContact O-CA 3.35Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 HydrophobicContact CG-CG2 4.5Å; F32-V49 PolarHBondContact N-O 3.03Å; F32-V49 PolarHBondContact O-N 3.29Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.09Å; F32-R121 CarbonylContact C-O 3.58Å; F32-R121 WeakPolarHBondContact CA-O 3.25Å; F32-M122 HydrophobicContact CD1-CB 3.97Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.13Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CG-CG 4.42Å; F32-M122 HydrophobicContact CZ-CG 3.97Å
33	Y	98.8	Very high	87.2	Confident	9 Å²	9	54.7 Å²	54.7	4%	0.035	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.4	177.7	-60.8	-14.6	0	0	0	109.6	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.34Å; Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CE2 4.44Å; Y33-F46 HydrophobicContact CD2-CZ 4.21Å; Y33-F46 HydrophobicContact CG-CE2 4.18Å; Y33-F46 AromaticContact CG-CZ 3.95Å; Y33-F46 HydrophobicContact CG-CZ 3.95Å; Y33-I47 WeakPolarHBondContact CA-O 3.37Å; Y33-A48 HydrophobicContact CD1-CB 3.29Å; Y33-A48 HydrophobicContact CE1-CB 3.39Å; Y33-A48 HydrophobicContact CG-CB 4.32Å; Y33-Y91 HydrophobicContact CE1-CD1 4.12Å; Y33-Y91 AromaticContact CE1-CE1 3.8Å; Y33-Y91 HydrophobicContact CE1-CE1 3.8Å; Y33-Y91 AromaticContact CZ-CE1 3.98Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.09Å; Y33-Q94 HydrophobicContact CD2-CG 3.56Å; Y33-Q94 HydrophobicContact CE2-CB 4.34Å; Y33-Q94 HydrophobicContact CE2-CG 3.67Å; Y33-Q120 CarbonylContact O-C 3.59Å; Y33-Q120 VanDerWaalsContact O-CA 3.29Å; Y33-Q120 WeakPolarHBondContact O-CA 3.38Å; Y33-R121 PolarHBondContact N-O 2.9Å; Y33-R121 PolarHBondContact O-N 3.09Å; Y33-Y123 HydrophobicContact CD2-CE1 4.07Å; Y33-Y123 HydrophobicContact CE1-CE1 4.26Å; Y33-Y123 HydrophobicContact CE2-CD1 4.5Å; Y33-Y123 AromaticContact CE2-CE1 3.47Å; Y33-Y123 HydrophobicContact CE2-CE1 3.47Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.47Å; Y33-Y123 AromaticContact CZ-CE1 3.6Å; Y33-Y123 AromaticContact CZ-CZ 3.94Å; Y33-Y123 PolarHBondContact OH-OH 3.29Å
34	T	98.8	Very high	89.2	Confident	40 Å²	40	51 Å²	51	25%	0.245	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	122.4	176	-60.2	0	0	0	0	109.3	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.01Å; T34-F46 WeakPolarHBondContact O-CA 3.44Å; T34-I47 PolarHBondContact N-O 3.3Å; T34-I47 PolarHBondContact O-N 3.02Å; T34-T118 HydrophobicContact CG2-CG2 4.04Å; T34-L119 WeakPolarHBondContact CA-O 3.48Å; T34-Q120 HydrophobicContact CG2-CG 4.14Å
35	A	98.3	Very high	91.3	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.4	174.3	0	0	0	0	0	109.6	H45 F46 D98 L102 T118 L119	A35-H45 CarbonylContact C-O 3.5Å; A35-H45 VanDerWaalsContact CA-O 3.32Å; A35-H45 WeakPolarHBondContact CA-O 3.4Å; A35-F46 HydrophobicContact CB-CD2 4.22Å; A35-D98 HydrophobicContact CB-CB 3.64Å; A35-L102 HydrophobicContact CB-CD1 3.88Å; A35-T118 WeakPolarHBondContact O-CA 3.46Å; A35-L119 HydrophobicContact CB-CB 4.45Å; A35-L119 PolarHBondContact N-O 2.79Å; A35-L119 PolarHBondContact O-N 2.95Å
36	V	97.8	Very high	92.6	Very high	32 Å²	32	47.2 Å²	47.2	19%	0.194	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.5	-179.8	-172.5	0	0	0	0	109.2	T34 R38 P44 H45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.01Å; V36-R38 HydrophobicContact CG1-CG 4.49Å; V36-P44 CarbonylContact O-C 3.49Å; V36-P44 WeakPolarHBondContact O-CA 3.38Å; V36-P44 WeakPolarHBondContact O-CB 3.36Å; V36-H45 PolarHBondContact N-O 3.08Å; V36-H45 PolarHBondContact O-N 3.23Å; V36-H117 CarbonylContact C-O 3.53Å; V36-H117 WeakPolarHBondContact CA-O 3.32Å; V36-T118 HydrophobicContact CG2-CG2 4.26Å
37	S	94.9	Very high	93	Very high	19 Å²	19	46 Å²	46	13%	0.133	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	138.3	173.8	71.4	0	0	0	0	110	S116 H117	S37-S116 PolarHBondContact O-OG 2.92Å; S37-H117 PolarHBondContact N-O 3.35Å; S37-H117 PolarHBondContact OG-N 2.86Å; S37-H117 PolarHBondContact OG-O 3.03Å
38	R	87.9	Confident	93.2	Very high	71 Å²	71	44.5 Å²	44.5	27%	0.268	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	85.5	178	-65.9	-175.1	178.4	162.5	4.1	109.2	V36 S40 R41 G42 H45 Y63	V36-R38 HydrophobicContact CG1-CG 4.49Å; R38-S40 PolarHBondContact O-N 3.45Å; R38-R41 HydrophobicContact CB-CB 3.96Å; R38-R41 PolarHBondContact O-N 2.89Å; R38-G42 PolarHBondContact O-N 2.98Å; R38-H45 PolarHBondContact NH2-ND1 3.49Å; R38-Y63 VanDerWaalsContact NH1-CE2 3.25Å
39	P	79.9	Confident	93.3	Very high	66 Å²	66	44.6 Å²	44.6	43%	0.429	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.2	-173.8	-28.4	35.2	0	0	0	114.2	E113 G115	P39-E113 WeakPolarHBondContact CB-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.38Å; P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.4Å
40	S	76.3	Confident	93.3	Very high	115 Å²	115	44.6 Å²	44.6	80%	0.804	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-10	178.3	57.7	0	0	0	0	115.4	R38	R38-S40 PolarHBondContact O-N 3.45Å
41	R	76.6	Confident	93.3	Very high	186 Å²	186	45.7 Å²	45.7	70%	0.702	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.1	10.9	-174.3	-60.2	-168	179.2	-165.7	0.5	114	R38	R38-R41 HydrophobicContact CB-CB 3.96Å; R38-R41 PolarHBondContact O-N 2.89Å
42	G	82.3	Confident	93.3	Very high	55 Å²	55	45.3 Å²	45.3	57%	0.567	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	88.1	-119	175.3	0	0	0	0	0	113	R38	R38-G42 PolarHBondContact O-N 2.98Å
43	E	88.4	Confident	93.1	Very high	82 Å²	82	42.6 Å²	42.6	38%	0.383	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	144	-173.8	-67.6	-55.9	146.9	0	0	113.1	H45 Y63 R99	E43-H45 PolarHBondContact O-N 3.33Å; E43-Y63 PolarHBondContact O-OH 2.95Å; E43-R99 IonicContact OE1-CZ 3.08Å; E43-R99 IonicContact OE1-NE 3.66Å; E43-R99 PolarHBondContact OE1-NE 3.41Å; E43-R99 IonicContact OE1-NH1 2.7Å; E43-R99 IonicContact OE1-NH2 3.04Å; E43-R99 PolarHBondContact OE1-NH2 3.42Å; E43-R99 WeakPolarHBondContact OE2-CD 3.35Å; E43-R99 IonicContact OE2-CZ 3.43Å; E43-R99 IonicContact OE2-NE 3.82Å; E43-R99 PolarHBondContact OE2-NE 3.45Å; E43-R99 IonicContact OE2-NH1 3.57Å; E43-R99 IonicContact OE2-NH2 2.6Å
44	P	93.8	Very high	92.9	Very high	22 Å²	22	44.7 Å²	44.7	14%	0.143	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	138.1	172.9	-25.3	35.5	0	0	0	111.8	V36 F46 R99 L102	V36-P44 CarbonylContact O-C 3.49Å; V36-P44 WeakPolarHBondContact O-CA 3.38Å; V36-P44 WeakPolarHBondContact O-CB 3.36Å; P44-F46 PolarHBondContact O-N 3.2Å; P44-R99 HydrophobicContact CG-CB 4.21Å; P44-R99 HydrophobicContact CG-CG 4.13Å; P44-L102 HydrophobicContact CB-CD1 3.73Å; P44-L102 HydrophobicContact CG-CD1 3.83Å
45	H	96.9	Very high	92.7	Very high	23 Å²	23	44.2 Å²	44.2	11%	0.106	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.8	172.5	-173.3	-172.6	0	0	0	108.3	A35 V36 R38 E43 D61 Y63	A35-H45 CarbonylContact C-O 3.5Å; A35-H45 VanDerWaalsContact CA-O 3.32Å; A35-H45 WeakPolarHBondContact CA-O 3.4Å; V36-H45 PolarHBondContact N-O 3.08Å; V36-H45 PolarHBondContact O-N 3.23Å; R38-H45 PolarHBondContact NH2-ND1 3.49Å; E43-H45 PolarHBondContact O-N 3.33Å; H45-D61 IonicContact CD2-OD1 3.71Å; H45-D61 IonicContact CE1-OD1 3.56Å; H45-D61 IonicContact NE2-OD1 3.33Å; H45-D61 PolarHBondContact NE2-OD1 2.94Å; H45-D61 IonicContact NE2-OD2 2.67Å; H45-Y63 HydrophobicContact CB-CD1 4.36Å; H45-Y63 HydrophobicContact CB-CD2 4.38Å; H45-Y63 HydrophobicContact CB-CE1 3.86Å; H45-Y63 HydrophobicContact CB-CE2 3.92Å; H45-Y63 AromaticContact CD2-CD1 3.72Å; H45-Y63 AromaticContact CD2-CD2 3.92Å; H45-Y63 AromaticContact CD2-CG 3.59Å; H45-Y63 AromaticContact CG-CD2 3.87Å; H45-Y63 AromaticContact CG-CE2 3.91Å; H45-Y63 AromaticContact CG-CG 4Å; H45-Y63 AromaticContact NE2-CG 3.84Å
46	F	98.3	Very high	92.6	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.013	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.7	177.7	176.9	-93.4	0	0	0	110.6	Y33 T34 A35 P44 A48 F60 S62 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CE2 4.44Å; Y33-F46 HydrophobicContact CD2-CZ 4.21Å; Y33-F46 HydrophobicContact CG-CE2 4.18Å; Y33-F46 AromaticContact CG-CZ 3.95Å; Y33-F46 HydrophobicContact CG-CZ 3.95Å; T34-F46 WeakPolarHBondContact O-CA 3.44Å; A35-F46 HydrophobicContact CB-CD2 4.22Å; P44-F46 PolarHBondContact O-N 3.2Å; F46-A48 HydrophobicContact CE1-CB 3.78Å; F46-A48 HydrophobicContact CZ-CB 3.94Å; F46-F60 AromaticContact CD1-CD1 3.74Å; F46-F60 HydrophobicContact CD1-CD1 3.74Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CE1 4.21Å; F46-S62 PolarHBondContact N-OG 3.2Å; F46-S62 WeakPolarHBondContact O-CB 3.47Å; F46-S62 PolarHBondContact O-N 3.36Å; F46-S62 PolarHBondContact O-OG 3.43Å; F46-Q94 HydrophobicContact CE2-CB 4.33Å; F46-Q94 HydrophobicContact CE2-CG 3.76Å; F46-Q94 HydrophobicContact CZ-CB 3.96Å; F46-Q94 HydrophobicContact CZ-CG 3.74Å; F46-A95 HydrophobicContact CB-CB 3.76Å; F46-A95 HydrophobicContact CD1-CB 3.72Å; F46-A95 HydrophobicContact CD2-CB 4.18Å; F46-A95 HydrophobicContact CE1-CB 4.35Å; F46-A95 HydrophobicContact CG-CB 3.61Å; F46-D98 VanDerWaalsContact CE2-OD2 3.23Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.47Å
47	I	98.6	Very high	92.6	Very high	47 Å²	47	45 Å²	45	24%	0.241	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.9	175.1	-59	173.2	0	0	0	107.7	Y33 T34 V49 F60	Y33-I47 WeakPolarHBondContact CA-O 3.37Å; T34-I47 PolarHBondContact N-O 3.3Å; T34-I47 PolarHBondContact O-N 3.02Å; I47-V49 HydrophobicContact CG2-CG1 4.38Å; I47-F60 WeakPolarHBondContact CA-O 3.46Å
48	A	98.7	Very high	92.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.9	170.5	0	0	0	0	0	110.2	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.35Å; Y33-A48 HydrophobicContact CD1-CB 3.29Å; Y33-A48 HydrophobicContact CE1-CB 3.39Å; Y33-A48 HydrophobicContact CG-CB 4.32Å; F46-A48 HydrophobicContact CE1-CB 3.78Å; F46-A48 HydrophobicContact CZ-CB 3.94Å; A48-R59 CarbonylContact O-C 3.53Å; A48-R59 WeakPolarHBondContact O-CA 3.24Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 2.92Å; A48-F60 PolarHBondContact O-N 2.94Å; A48-Y91 HydrophobicContact CB-CD1 3.61Å; A48-Y91 HydrophobicContact CB-CE1 3.69Å; A48-Y91 HydrophobicContact CB-CG 4.43Å
49	V	98.8	Very high	93.3	Very high	26 Å²	26	44.4 Å²	44.4	16%	0.158	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.1	173.1	-62	0	0	0	0	109.8	Y31 F32 I47 Y51 V58 R59	Y31-V49 CarbonylContact C-O 3.45Å; Y31-V49 WeakPolarHBondContact CA-O 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 HydrophobicContact CG-CG2 4.5Å; F32-V49 PolarHBondContact N-O 3.03Å; F32-V49 PolarHBondContact O-N 3.29Å; I47-V49 HydrophobicContact CG2-CG1 4.38Å; V49-Y51 HydrophobicContact CB-CE2 4.14Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; V49-R59 HydrophobicContact CG1-CG 4.29Å
50	G	98.6	Very high	94.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.7	175.8	0	0	0	0	0	110.8	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.53Å; R30-G50 WeakPolarHBondContact O-CA 3.38Å; G50-Q56 WeakPolarHBondContact O-CA 3.49Å; G50-F57 WeakPolarHBondContact O-CD1 2.85Å; G50-F57 PolarHBondContact O-N 3.35Å; G50-V58 PolarHBondContact N-O 3.07Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 2.67Å
51	Y	98.4	Very high	95.2	Very high	71 Å²	71	37.4 Å²	37.4	28%	0.278	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.9	-179.6	-75.3	-102.2	0	0	0	110.1	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.49Å; R30-Y51 PolarHBondContact N-O 3.36Å; R30-Y51 PolarHBondContact O-N 2.94Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.09Å; V49-Y51 HydrophobicContact CB-CE2 4.14Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; Y51-T55 WeakPolarHBondContact CA-O 3.4Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.38Å; Y51-Q56 HydrophobicContact CE1-CB 3.51Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.11Å; Y51-Q56 HydrophobicContact CE2-CG 3.9Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	97.8	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.3	156	176.6	0	0	0	0	105.6	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.52Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; V52-D54 PolarHBondContact O-N 2.85Å; V52-T55 PolarHBondContact N-O 3.03Å; V52-T55 WeakPolarHBondContact O-CB 3.42Å; V52-T55 PolarHBondContact O-N 2.84Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.07Å; V52-W75 HydrophobicContact CB-CH2 4.34Å; V52-W75 HydrophobicContact CB-CZ2 4.41Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.28Å; V52-Y195 HydrophobicContact CG2-CD2 3.87Å; V52-Y195 HydrophobicContact CG2-CG 4.38Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.19Å; V52-L203 HydrophobicContact CG1-CD1 3.85Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å
53	D	94.8	Very high	96.8	Very high	27 Å²	27	32.1 Å²	32.1	14%	0.144	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-124	-166.9	-53.8	-40.4	0	0	0	110.2	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.5Å; H27-D53 IonicContact CE1-OD2 2.77Å; H27-D53 IonicContact CG-OD2 3.69Å; H27-D53 IonicContact ND1-OD1 3.44Å; H27-D53 IonicContact ND1-OD2 3.64Å; H27-D53 PolarHBondContact ND1-OD2 2.88Å; S28-D53 PolarHBondContact N-OD1 2.79Å; S28-D53 PolarHBondContact O-N 3.2Å; S28-D53 PolarHBondContact OG-OD1 2.8Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	94.1	Very high	97.1	Very high	53 Å²	53	29.9 Å²	29.9	28%	0.283	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	10.4	179.9	-61.5	-53.1	0	0	0	113.7	V52 Y233 P234 T235 F265	V52-D54 PolarHBondContact O-N 2.85Å; D54-Y233 HydrophobicContact CB-CE2 4.05Å; D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.36Å; D54-T235 WeakPolarHBondContact OD1-CG2 3.34Å; D54-T235 WeakPolarHBondContact OD2-CB 3.34Å; D54-T235 WeakPolarHBondContact OD2-CG2 3.16Å; D54-T235 PolarHBondContact OD2-N 2.84Å; D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.72Å
55	T	95.4	Very high	97.1	Very high	29 Å²	29	34.4 Å²	34.4	18%	0.178	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.2	-175.9	-59.9	0	0	0	0	112.1	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.4Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; V52-T55 PolarHBondContact N-O 3.03Å; V52-T55 WeakPolarHBondContact O-CB 3.42Å; V52-T55 PolarHBondContact O-N 2.84Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 2.85Å; T55-A73 HydrophobicContact CG2-CB 4.41Å; T55-L203 HydrophobicContact CG2-CD2 4.17Å; T55-Y233 PolarHBondContact OG1-OH 2.92Å; T55-Y233 VanDerWaalsContact OG1-OH 3.13Å
56	Q	96.9	Very high	97	Very high	49 Å²	49	37.1 Å²	37.1	23%	0.229	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	126.8	173.7	-166.3	-179.3	-2.8	0	0	110.2	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.38Å; Y51-Q56 HydrophobicContact CE1-CB 3.51Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.11Å; Y51-Q56 HydrophobicContact CE2-CG 3.9Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 3.18Å; Q56-V58 VanDerWaalsContact NE2-O 3.13Å; Q56-R72 HydrophobicContact CB-CB 4.45Å; Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; Q56-R72 CarbonylContact O-C 3.59Å; Q56-R72 WeakPolarHBondContact O-CB 3.46Å
57	F	97.9	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-20.9	179.3	75.6	-88.4	0	0	0	114	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.47Å; Y31-F57 HydrophobicContact CE1-CZ 4.02Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; G50-F57 WeakPolarHBondContact O-CD1 2.85Å; G50-F57 PolarHBondContact O-N 3.35Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.07Å; T55-F57 PolarHBondContact O-N 2.85Å; F57-R72 PolarHBondContact O-N 3.19Å; F57-A73 HydrophobicContact CB-CB 4.11Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.39Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 AromaticContact CD1-CH2 3.97Å; F57-W75 HydrophobicContact CD1-CH2 3.97Å; F57-W75 AromaticContact CD2-CH2 3.99Å; F57-W75 HydrophobicContact CD2-CH2 3.99Å; F57-W75 HydrophobicContact CD2-CZ3 4.22Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.18Å; F57-W75 HydrophobicContact CG-CZ3 4.13Å; F57-V76 HydrophobicContact CB-CG1 4.33Å; F57-V76 HydrophobicContact CD2-CB 4.42Å; F57-V76 HydrophobicContact CD2-CG1 4.45Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.08Å; F57-Y195 AromaticContact CE2-CE2 3.8Å; F57-Y195 HydrophobicContact CE2-CE2 3.8Å; F57-Y195 AromaticContact CE2-CZ 3.99Å; F57-Y195 HydrophobicContact CZ-CD2 4.4Å; F57-Y195 AromaticContact CZ-CE2 3.8Å; F57-Y195 HydrophobicContact CZ-CE2 3.8Å
58	V	98.3	Very high	96.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	148.5	180	64.8	0	0	0	0	112	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 3.99Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; G50-V58 PolarHBondContact N-O 3.07Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 2.67Å; Q56-V58 PolarHBondContact NE2-O 3.18Å; Q56-V58 VanDerWaalsContact NE2-O 3.13Å; V58-E70 WeakPolarHBondContact CA-O 3.03Å; V58-W84 HydrophobicContact CG2-CZ3 4.08Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.41Å; V58-Y91 HydrophobicContact CG2-CE2 4.16Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.47Å
59	R	98.3	Very high	96.8	Very high	79 Å²	79	43.9 Å²	43.9	30%	0.298	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.3	170.7	-178.1	176.5	170.9	120.2	3	110.6	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.53Å; A48-R59 WeakPolarHBondContact O-CA 3.24Å; V49-R59 HydrophobicContact CG1-CG 4.29Å; R59-D61 IonicContact NH2-OD2 3.08Å; R59-D61 PolarHBondContact NH2-OD2 3.03Å; R59-E70 PolarHBondContact N-O 3.45Å; R59-E70 PolarHBondContact O-N 3.27Å; R59-R72 HydrophobicContact CB-CG 3.9Å
60	F	98.7	Very high	96.7	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.013	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.3	164.4	176	-83.1	0	0	0	109.2	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.74Å; F46-F60 HydrophobicContact CD1-CD1 3.74Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CE1 4.21Å; I47-F60 WeakPolarHBondContact CA-O 3.46Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 2.92Å; A48-F60 PolarHBondContact O-N 2.94Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.4Å; F60-Y91 HydrophobicContact CB-CD1 4.36Å; F60-Y91 HydrophobicContact CB-CD2 3.58Å; F60-Y91 HydrophobicContact CB-CE2 4.08Å; F60-Y91 HydrophobicContact CB-CG 3.75Å; F60-Y91 HydrophobicContact CD1-CG 4.4Å; F60-Y91 AromaticContact CD2-CD2 3.75Å; F60-Y91 HydrophobicContact CD2-CD2 3.75Å; F60-Y91 AromaticContact CD2-CG 3.99Å; F60-Y91 HydrophobicContact CD2-CG 3.99Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.8Å; F60-Y91 HydrophobicContact CG-CG 3.8Å; F60-K92 HydrophobicContact CE2-CG 4.23Å; F60-K92 HydrophobicContact CZ-CG 4.01Å
61	D	98.3	Very high	96.7	Very high	30 Å²	30	47.4 Å²	47.4	16%	0.16	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	117.4	177.7	-165.9	-35.6	0	0	0	109.6	H45 R59 Y63 A64	H45-D61 IonicContact CD2-OD1 3.71Å; H45-D61 IonicContact CE1-OD1 3.56Å; H45-D61 IonicContact NE2-OD1 3.33Å; H45-D61 PolarHBondContact NE2-OD1 2.94Å; H45-D61 IonicContact NE2-OD2 2.67Å; R59-D61 IonicContact NH2-OD2 3.08Å; R59-D61 PolarHBondContact NH2-OD2 3.03Å; D61-Y63 PolarHBondContact O-N 3.26Å; D61-Y63 PolarHBondContact OD1-N 3.22Å; D61-A64 HydrophobicContact CB-CB 4.36Å; D61-A64 WeakPolarHBondContact O-CB 3.44Å; D61-A64 PolarHBondContact O-N 2.81Å
62	S	96.8	Very high	96.6	Very high	32 Å²	32	49.8 Å²	49.8	22%	0.224	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.8	-177.1	75.2	0	0	0	0	113.6	F46	F46-S62 PolarHBondContact N-OG 3.2Å; F46-S62 WeakPolarHBondContact O-CB 3.47Å; F46-S62 PolarHBondContact O-N 3.36Å; F46-S62 PolarHBondContact O-OG 3.43Å
63	Y	94.5	Very high	96.5	Very high	99 Å²	99	50 Å²	50	39%	0.388	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-2.7	178.9	-77.9	14.6	0	0	0	112.8	R38 E43 H45 D61	R38-Y63 VanDerWaalsContact NH1-CE2 3.25Å; E43-Y63 PolarHBondContact O-OH 2.95Å; H45-Y63 HydrophobicContact CB-CD1 4.36Å; H45-Y63 HydrophobicContact CB-CD2 4.38Å; H45-Y63 HydrophobicContact CB-CE1 3.86Å; H45-Y63 HydrophobicContact CB-CE2 3.92Å; H45-Y63 AromaticContact CD2-CD1 3.72Å; H45-Y63 AromaticContact CD2-CD2 3.92Å; H45-Y63 AromaticContact CD2-CG 3.59Å; H45-Y63 AromaticContact CG-CD2 3.87Å; H45-Y63 AromaticContact CG-CE2 3.91Å; H45-Y63 AromaticContact CG-CG 4Å; H45-Y63 AromaticContact NE2-CG 3.84Å; D61-Y63 PolarHBondContact O-N 3.26Å; D61-Y63 PolarHBondContact OD1-N 3.22Å
64	A	95	Very high	96.6	Very high	34 Å²	34	53.6 Å²	53.6	28%	0.281	29%	0.293	S	S	.	.	S	Bend	trans	-59.3	149.8	170.5	0	0	0	0	0	110.6	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.36Å; D61-A64 WeakPolarHBondContact O-CB 3.44Å; D61-A64 PolarHBondContact O-N 2.81Å; A64-S66 PolarHBondContact O-N 3.16Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 2.94Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å
65	A	94.8	Very high	96.6	Very high	118 Å²	118	51.8 Å²	51.8	98%	0.975	28%	0.283	S	S	*	.	S	Bend	trans	-59	-31.3	179.4	0	0	0	0	0	112.7
66	S	94.8	Very high	96.7	Very high	80 Å²	80	50.4 Å²	50.4	56%	0.559	27%	0.274	S	S	*	.	S	Bend	trans	-132	89	171.9	-173.2	0	0	0	0	109.2	A64 R68	A64-S66 PolarHBondContact O-N 3.16Å; S66-R68 PolarHBondContact O-N 3.41Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	96.2	Very high	96.6	Very high	36 Å²	36	53.9 Å²	53.9	23%	0.234	29%	0.29	C	S	.	.			trans	-64.9	111.6	-176.6	-23.7	35.1	0	0	0	111.8	F60 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 2.94Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å; P67-K92 WeakPolarHBondContact O-CE 3.46Å; P67-K92 PolarHBondContact O-NZ 2.89Å
68	R	97.4	Very high	96.5	Very high	149 Å²	149	59.8 Å²	59.8	56%	0.562	32%	0.318	S	S	*	.			trans	-146.4	160	176.8	63.1	-176.5	172.8	176.1	-0	110.7	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.4Å; S66-R68 PolarHBondContact O-N 3.41Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-E70 HydrophobicContact CG-CG 4.29Å; R68-E70 PolarHBondContact O-N 3.04Å; R68-T88 HydrophobicContact CB-CG2 4.18Å
69	G	97.1	Very high	96.4	Very high	6 Å²	6	60.4 Å²	60.4	6%	0.062	32%	0.321	C	S	.	.			trans	-65.1	129.5	167.8	0	0	0	0	0	109.3	T88	G69-T88 PolarHBondContact N-OG1 2.89Å
70	E	97.4	Very high	96.3	Very high	53 Å²	53	58.2 Å²	58.2	25%	0.248	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.6	-178.6	-65.1	177.2	163.5	0	0	109.8	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.03Å; R59-E70 PolarHBondContact N-O 3.45Å; R59-E70 PolarHBondContact O-N 3.27Å; R68-E70 HydrophobicContact CG-CG 4.29Å; R68-E70 PolarHBondContact O-N 3.04Å; E70-R72 IonicContact OE2-CZ 3.79Å; E70-R72 IonicContact OE2-NH2 2.75Å; E70-R72 PolarHBondContact OE2-NH2 2.94Å
71	P	97.8	Very high	96.2	Very high	47 Å²	47	62.8 Å²	62.8	31%	0.305	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	144.9	173.4	28.2	-33.7	0	0	0	110.5	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.8Å; P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 3.93Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.78Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.23Å
72	R	97.1	Very high	96.1	Very high	122 Å²	122	69.1 Å²	69.1	46%	0.46	38%	0.382	S	S	.	.			trans	-127.1	-0.7	175	-60.5	-64.4	171.1	-178.9	-0.9	113.1	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.45Å; Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; Q56-R72 CarbonylContact O-C 3.59Å; Q56-R72 WeakPolarHBondContact O-CB 3.46Å; F57-R72 PolarHBondContact O-N 3.19Å; R59-R72 HydrophobicContact CB-CG 3.9Å; E70-R72 IonicContact OE2-CZ 3.79Å; E70-R72 IonicContact OE2-NH2 2.75Å; E70-R72 PolarHBondContact OE2-NH2 2.94Å
73	A	95.5	Very high	96.1	Very high	4 Å²	4	68 Å²	68	3%	0.033	37%	0.373	C	S	.	.	S	Bend	trans	-137.4	143.5	173.1	0	0	0	0	0	110.7	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.41Å; F57-A73 HydrophobicContact CB-CB 4.11Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.12Å; A73-W75 HydrophobicContact CB-CG 4.34Å; A73-W75 HydrophobicContact CB-CZ2 3.95Å; A73-W75 PolarHBondContact O-N 2.95Å; A73-V76 VanDerWaalsContact O-CG1 3.24Å; A73-V76 WeakPolarHBondContact O-CG1 3.36Å; A73-V76 PolarHBondContact O-N 2.88Å
74	P	95.7	Very high	96.3	Very high	102 Å²	102	65 Å²	65	66%	0.662	36%	0.361	S	S	*	.	H	α-helix	trans	-58.5	-37.4	-177.4	-26.5	34.9	0	0	0	113.9	V76 E77	P74-V76 PolarHBondContact O-N 2.98Å; P74-E77 WeakPolarHBondContact O-CB 3.33Å; P74-E77 PolarHBondContact O-N 2.03Å; P74-E77 VanDerWaalsContact O-N 3.08Å
75	W	95.6	Very high	96.4	Very high	16 Å²	16	68.5 Å²	68.5	6%	0.061	37%	0.374	C	S	.	.	H	α-helix	trans	-69.4	-13.5	-176.1	53.2	-107.1	0	0	0	114.5	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.34Å; V52-W75 HydrophobicContact CB-CZ2 4.41Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.39Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 AromaticContact CD1-CH2 3.97Å; F57-W75 HydrophobicContact CD1-CH2 3.97Å; F57-W75 AromaticContact CD2-CH2 3.99Å; F57-W75 HydrophobicContact CD2-CH2 3.99Å; F57-W75 HydrophobicContact CD2-CZ3 4.22Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.18Å; F57-W75 HydrophobicContact CG-CZ3 4.13Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.12Å; A73-W75 HydrophobicContact CB-CG 4.34Å; A73-W75 HydrophobicContact CB-CZ2 3.95Å; A73-W75 PolarHBondContact O-N 2.95Å; W75-Q78 WeakPolarHBondContact O-CG 3.33Å; W75-Y195 HydrophobicContact CE3-CD1 4.25Å; W75-Y195 HydrophobicContact CE3-CG 4.46Å; W75-Y195 HydrophobicContact CH2-CD2 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.12Å; W75-Y195 AromaticContact CZ3-CD1 3.6Å; W75-Y195 HydrophobicContact CZ3-CD1 3.6Å; W75-Y195 HydrophobicContact CZ3-CD2 4.26Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.56Å; W75-Y195 HydrophobicContact CZ3-CG 3.56Å; W75-N198 HydrophobicContact CB-CB 4.39Å; W75-T202 VanDerWaalsContact CD1-OG1 3.23Å; W75-L203 HydrophobicContact CD2-CD1 4.46Å; W75-L203 HydrophobicContact CH2-CD1 4.44Å; W75-L203 HydrophobicContact CZ2-CD1 3.88Å; W75-L203 HydrophobicContact CZ2-CD2 4.21Å; W75-L203 HydrophobicContact CZ2-CG 4.46Å
76	V	97.1	Very high	96.5	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-95.4	-15.3	172.4	73.2	0	0	0	0	112.2	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.33Å; F57-V76 HydrophobicContact CD2-CB 4.42Å; F57-V76 HydrophobicContact CD2-CG1 4.45Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.08Å; P71-V76 HydrophobicContact CB-CG1 3.8Å; A73-V76 VanDerWaalsContact O-CG1 3.24Å; A73-V76 WeakPolarHBondContact O-CG1 3.36Å; A73-V76 PolarHBondContact O-N 2.88Å; P74-V76 PolarHBondContact O-N 2.98Å; V76-Q78 PolarHBondContact O-N 2.88Å; V76-E79 HydrophobicContact CG2-CG 3.89Å; V76-E79 WeakPolarHBondContact O-CB 3.16Å; V76-E79 WeakPolarHBondContact O-CG 3.49Å; V76-E79 PolarHBondContact O-N 3.25Å; V76-Y83 HydrophobicContact CG2-CE1 4.11Å; V76-W84 HydrophobicContact CG1-CH2 4.04Å; V76-W84 HydrophobicContact CG1-CZ2 4.23Å; V76-W84 HydrophobicContact CG2-CH2 4.02Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.44Å; V76-Y195 HydrophobicContact CG2-CE1 4.38Å
77	E	95.3	Very high	96.6	Very high	122 Å²	122	64.3 Å²	64.3	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-63.7	-25.4	179.5	-65.2	-176.7	-179.1	0	0	112.8	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 3.93Å; P74-E77 WeakPolarHBondContact O-CB 3.33Å; P74-E77 PolarHBondContact O-N 2.03Å; P74-E77 VanDerWaalsContact O-N 3.08Å; E77-E79 PolarHBondContact O-N 3.3Å
78	Q	94.5	Very high	96.7	Very high	124 Å²	124	63.1 Å²	63.1	58%	0.579	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.4	175.3	67.3	-179	14.7	0	0	114	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.33Å; V76-Q78 PolarHBondContact O-N 2.88Å; Q78-N198 VanDerWaalsContact NE2-CB 3.28Å; Q78-N198 PolarHBondContact NE2-ND2 2.81Å; Q78-N198 PolarHBondContact NE2-OD1 2.85Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.15Å
79	E	96.4	Very high	96.8	Very high	12 Å²	12	61 Å²	61	6%	0.056	31%	0.31	C	S	.	.	S	Bend	trans	-66.3	136.8	175.1	-65.7	-61.3	161.7	0	0	111	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.89Å; V76-E79 WeakPolarHBondContact O-CB 3.16Å; V76-E79 WeakPolarHBondContact O-CG 3.49Å; V76-E79 PolarHBondContact O-N 3.25Å; E77-E79 PolarHBondContact O-N 3.3Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CD2 4.49Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.06Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 PolarHBondContact O-NE1 2.81Å; E79-W84 VanDerWaalsContact O-NE1 3.1Å; E79-R194 IonicContact OE1-CZ 3.79Å; E79-R194 IonicContact OE1-NE 2.93Å; E79-R194 PolarHBondContact OE1-NE 2.9Å; E79-R194 IonicContact OE1-NH2 3.32Å; E79-R194 PolarHBondContact OE1-NH2 3.24Å; E79-R194 IonicContact OE2-CZ 2.73Å; E79-R194 IonicContact OE2-NE 2.95Å; E79-R194 IonicContact OE2-NH2 3.47Å; E79-R194 PolarHBondContact OE2-NH2 3.4Å; E79-N198 PolarHBondContact OE1-ND2 2.85Å
80	G	95.6	Very high	96.8	Very high	34 Å²	34	63.3 Å²	63.3	35%	0.351	32%	0.318	S	S	.	.			trans	-70	169	-174.2	0	0	0	0	0	114.3	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.82Å; G80-Y83 WeakPolarHBondContact O-CB 3.42Å; G80-Y83 PolarHBondContact O-N 2.95Å; G80-W84 PolarHBondContact O-N 2.9Å
81	P	96.6	Very high	96.8	Very high	98 Å²	98	60.8 Å²	60.8	64%	0.636	31%	0.306	S	S	*	.	H	α-helix	trans	-57.8	-34.7	-178.8	22.9	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.89Å; P81-W84 PolarHBondContact O-N 2.85Å; P81-D85 WeakPolarHBondContact O-CB 3.3Å; P81-D85 PolarHBondContact O-N 2.97Å
82	E	97.2	Very high	96.8	Very high	164 Å²	164	62.6 Å²	62.6	77%	0.766	31%	0.31	S	S	*	.	H	α-helix	trans	-60.7	-36.3	177.7	-63	-178.5	178.7	0	0	112.9	G80 R86	G80-E82 PolarHBondContact O-N 2.82Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.34Å; E82-R86 PolarHBondContact O-N 2.8Å
83	Y	97.2	Very high	96.9	Very high	9 Å²	9	64.6 Å²	64.6	4%	0.035	32%	0.317	C	S	.	.	H	α-helix	trans	-63.8	-52.1	174.4	168.9	-91.9	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.11Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CD2 4.49Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.06Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.42Å; G80-Y83 PolarHBondContact O-N 2.95Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.89Å; Y83-D85 PolarHBondContact O-N 2.94Å; Y83-R86 PolarHBondContact O-N 2.89Å; Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.19Å; Y83-E87 HydrophobicContact CE1-CG 4.01Å; Y83-E87 HydrophobicContact CE2-CG 3.77Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.16Å; Y83-E87 PolarHBondContact O-N 2.8Å; Y83-W191 AromaticContact CD2-CH2 3.61Å; Y83-W191 HydrophobicContact CD2-CH2 3.61Å; Y83-W191 HydrophobicContact CD2-CZ2 4.32Å; Y83-W191 AromaticContact CD2-CZ3 3.81Å; Y83-W191 HydrophobicContact CD2-CZ3 3.81Å; Y83-W191 HydrophobicContact CE2-CE3 4.28Å; Y83-W191 AromaticContact CE2-CH2 3.97Å; Y83-W191 HydrophobicContact CE2-CH2 3.97Å; Y83-W191 AromaticContact CE2-CZ3 3.78Å; Y83-W191 HydrophobicContact CE2-CZ3 3.78Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.23Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.47Å; Y83-Y195 PolarHBondContact OH-OH 2.79Å
84	W	97.8	Very high	97	Very high	36 Å²	36	65.9 Å²	65.9	14%	0.136	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-37.7	-177.6	-68	112	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.08Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.78Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.23Å; V76-W84 HydrophobicContact CG1-CH2 4.04Å; V76-W84 HydrophobicContact CG1-CZ2 4.23Å; V76-W84 HydrophobicContact CG2-CH2 4.02Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.44Å; E79-W84 PolarHBondContact O-NE1 2.81Å; E79-W84 VanDerWaalsContact O-NE1 3.1Å; G80-W84 PolarHBondContact O-N 2.9Å; P81-W84 PolarHBondContact O-N 2.85Å; W84-T88 WeakPolarHBondContact O-CB 2.83Å; W84-T88 PolarHBondContact O-N 3.2Å; W84-T88 PolarHBondContact O-OG1 2.98Å
85	D	97.8	Very high	97.1	Very high	107 Å²	107	61.8 Å²	61.8	57%	0.572	30%	0.297	S	S	*	.	H	α-helix	trans	-65	-47	174.5	-76.6	-22.1	0	0	0	110.8	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.3Å; P81-D85 PolarHBondContact O-N 2.97Å; Y83-D85 PolarHBondContact O-N 2.94Å; D85-T88 PolarHBondContact O-N 2.97Å; D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.34Å; D85-Q89 PolarHBondContact O-N 3.4Å
86	R	97	Very high	97.2	Very high	104 Å²	104	66.1 Å²	66.1	39%	0.392	32%	0.318	S	S	.	.	H	α-helix	trans	-61.1	-48.3	178.1	-175.7	-178.1	66.3	-148.3	-4.9	111.8	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.34Å; E82-R86 PolarHBondContact O-N 2.8Å; Y83-R86 PolarHBondContact O-N 2.89Å; R86-Q89 PolarHBondContact O-N 2.81Å; R86-K90 WeakPolarHBondContact O-CG 3.49Å; R86-K90 PolarHBondContact O-N 2.76Å
87	E	97.1	Very high	97.2	Very high	6 Å²	6	69.2 Å²	69.2	3%	0.028	34%	0.337	C	S	.	.	H	α-helix	trans	-64.9	-41.9	179.2	-66.9	-49.1	117.4	0	0	111.2	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.19Å; Y83-E87 HydrophobicContact CE1-CG 4.01Å; Y83-E87 HydrophobicContact CE2-CG 3.77Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.16Å; Y83-E87 PolarHBondContact O-N 2.8Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.37Å; E87-K90 WeakPolarHBondContact O-CB 3.33Å; E87-K90 PolarHBondContact O-N 2.94Å; E87-K90 VanDerWaalsContact O-N 3.14Å; E87-K90 WeakPolarHBondContact OE1-CD 3.35Å; E87-K90 WeakPolarHBondContact OE1-CE 3.16Å; E87-K90 IonicContact OE1-NZ 2.78Å; E87-K90 PolarHBondContact OE1-NZ 3.37Å; E87-K90 IonicContact OE2-NZ 3.41Å; E87-Y91 HydrophobicContact CB-CE2 4.04Å; E87-Y91 WeakPolarHBondContact O-CD2 3.39Å; E87-Y91 PolarHBondContact O-N 3.2Å
88	T	98.3	Very high	97.3	Very high	11 Å²	11	63.7 Å²	63.7	7%	0.067	31%	0.311	C	S	.	.	H	α-helix	trans	-57.5	-44	173.9	-65.1	0	0	0	0	112	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.18Å; G69-T88 PolarHBondContact N-OG1 2.89Å; W84-T88 WeakPolarHBondContact O-CB 2.83Å; W84-T88 PolarHBondContact O-N 3.2Å; W84-T88 PolarHBondContact O-OG1 2.98Å; D85-T88 PolarHBondContact O-N 2.97Å; T88-Y91 PolarHBondContact O-N 2.91Å; T88-K92 HydrophobicContact CG2-CD 4.15Å; T88-K92 WeakPolarHBondContact O-CG 2.9Å; T88-K92 PolarHBondContact O-N 3.38Å
89	Q	98.1	Very high	97.3	Very high	103 Å²	103	60.8 Å²	60.8	48%	0.481	30%	0.295	S	S	.	.	H	α-helix	trans	-68.6	-35.9	177.2	-67.3	-57.4	-29.4	0	0	112.5	D85 R86 E87 K92 R93	D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.34Å; D85-Q89 PolarHBondContact O-N 3.4Å; R86-Q89 PolarHBondContact O-N 2.81Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.37Å; Q89-K92 PolarHBondContact O-N 2.66Å; Q89-R93 WeakPolarHBondContact O-CB 3.47Å; Q89-R93 WeakPolarHBondContact O-CG 3.2Å; Q89-R93 PolarHBondContact O-N 2.86Å
90	K	97.3	Very high	97.3	Very high	55 Å²	55	63.1 Å²	63.1	24%	0.239	31%	0.31	C	S	.	.	H	α-helix	trans	-59	-50.5	172	-74.2	175.9	179.5	173.7	0	110.9	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.49Å; R86-K90 PolarHBondContact O-N 2.76Å; E87-K90 WeakPolarHBondContact O-CB 3.33Å; E87-K90 PolarHBondContact O-N 2.94Å; E87-K90 VanDerWaalsContact O-N 3.14Å; E87-K90 WeakPolarHBondContact OE1-CD 3.35Å; E87-K90 WeakPolarHBondContact OE1-CE 3.16Å; E87-K90 IonicContact OE1-NZ 2.78Å; E87-K90 PolarHBondContact OE1-NZ 3.37Å; E87-K90 IonicContact OE2-NZ 3.41Å; K90-K92 PolarHBondContact O-N 2.66Å; K90-R93 PolarHBondContact O-N 3.17Å; K90-Q94 PolarHBondContact O-N 2.85Å
91	Y	98.3	Very high	97.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-42.1	178.3	-61.8	-48.9	0	0	0	112.8	Y33 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.12Å; Y33-Y91 AromaticContact CE1-CE1 3.8Å; Y33-Y91 HydrophobicContact CE1-CE1 3.8Å; Y33-Y91 AromaticContact CZ-CE1 3.98Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.09Å; A48-Y91 HydrophobicContact CB-CD1 3.61Å; A48-Y91 HydrophobicContact CB-CE1 3.69Å; A48-Y91 HydrophobicContact CB-CG 4.43Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.41Å; V58-Y91 HydrophobicContact CG2-CE2 4.16Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.47Å; F60-Y91 HydrophobicContact CB-CD1 4.36Å; F60-Y91 HydrophobicContact CB-CD2 3.58Å; F60-Y91 HydrophobicContact CB-CE2 4.08Å; F60-Y91 HydrophobicContact CB-CG 3.75Å; F60-Y91 HydrophobicContact CD1-CG 4.4Å; F60-Y91 AromaticContact CD2-CD2 3.75Å; F60-Y91 HydrophobicContact CD2-CD2 3.75Å; F60-Y91 AromaticContact CD2-CG 3.99Å; F60-Y91 HydrophobicContact CD2-CG 3.99Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.8Å; F60-Y91 HydrophobicContact CG-CG 3.8Å; E87-Y91 HydrophobicContact CB-CE2 4.04Å; E87-Y91 WeakPolarHBondContact O-CD2 3.39Å; E87-Y91 PolarHBondContact O-N 3.2Å; T88-Y91 PolarHBondContact O-N 2.91Å; Y91-R93 PolarHBondContact O-N 3.15Å; Y91-Q94 PolarHBondContact O-N 3.25Å; Y91-A95 WeakPolarHBondContact O-CB 3.33Å; Y91-A95 PolarHBondContact O-N 2.69Å
92	K	98	Very high	97.4	Very high	86 Å²	86	59.4 Å²	59.4	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-41.5	176.4	-74.8	177.8	178.3	175.1	0	112.5	F60 P67 T88 Q89 K90 A95 Q96	F60-K92 HydrophobicContact CE2-CG 4.23Å; F60-K92 HydrophobicContact CZ-CG 4.01Å; P67-K92 WeakPolarHBondContact O-CE 3.46Å; P67-K92 PolarHBondContact O-NZ 2.89Å; T88-K92 HydrophobicContact CG2-CD 4.15Å; T88-K92 WeakPolarHBondContact O-CG 2.9Å; T88-K92 PolarHBondContact O-N 3.38Å; Q89-K92 PolarHBondContact O-N 2.66Å; K90-K92 PolarHBondContact O-N 2.66Å; K92-A95 PolarHBondContact O-N 3.49Å; K92-Q96 PolarHBondContact O-N 2.75Å
93	R	98	Very high	97.3	Very high	164 Å²	164	57.9 Å²	57.9	62%	0.619	26%	0.264	S	S	*	.	H	α-helix	trans	-65.8	-40.7	175	-74.1	-172.5	-64.3	-171.6	2.6	111.9	Q89 K90 Y91 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.47Å; Q89-R93 WeakPolarHBondContact O-CG 3.2Å; Q89-R93 PolarHBondContact O-N 2.86Å; K90-R93 PolarHBondContact O-N 3.17Å; Y91-R93 PolarHBondContact O-N 3.15Å; R93-Q96 PolarHBondContact O-N 2.98Å; R93-T97 PolarHBondContact O-N 3.27Å; R93-T97 PolarHBondContact O-OG1 2.95Å
94	Q	98.1	Very high	97.3	Very high	30 Å²	30	62.3 Å²	62.3	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-44.7	176.1	-172.9	65.3	48.8	0	0	111.5	Y33 F46 K90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.56Å; Y33-Q94 HydrophobicContact CE2-CB 4.34Å; Y33-Q94 HydrophobicContact CE2-CG 3.67Å; F46-Q94 HydrophobicContact CE2-CB 4.33Å; F46-Q94 HydrophobicContact CE2-CG 3.76Å; F46-Q94 HydrophobicContact CZ-CB 3.96Å; F46-Q94 HydrophobicContact CZ-CG 3.74Å; K90-Q94 PolarHBondContact O-N 2.85Å; Y91-Q94 PolarHBondContact O-N 3.25Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.36Å; Q94-T97 CarbonylContact O-C 3.56Å; Q94-T97 WeakPolarHBondContact O-CA 3.2Å; Q94-T97 WeakPolarHBondContact O-CB 3.41Å; Q94-T97 PolarHBondContact O-N 3.16Å; Q94-D98 PolarHBondContact NE2-OD1 2.89Å; Q94-D98 PolarHBondContact NE2-OD2 2.7Å; Q94-D98 PolarHBondContact O-N 3.36Å
95	A	97.7	Very high	97.2	Very high	17 Å²	17	60.9 Å²	60.9	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-56.7	-41.1	177.2	0	0	0	0	0	112.5	F46 Y91 K92 R99	F46-A95 HydrophobicContact CB-CB 3.76Å; F46-A95 HydrophobicContact CD1-CB 3.72Å; F46-A95 HydrophobicContact CD2-CB 4.18Å; F46-A95 HydrophobicContact CE1-CB 4.35Å; F46-A95 HydrophobicContact CG-CB 3.61Å; Y91-A95 WeakPolarHBondContact O-CB 3.33Å; Y91-A95 PolarHBondContact O-N 2.69Å; K92-A95 PolarHBondContact O-N 3.49Å; A95-R99 WeakPolarHBondContact O-CB 3.1Å; A95-R99 PolarHBondContact O-N 2.95Å
96	Q	97	Very high	97.1	Very high	106 Å²	106	58.6 Å²	58.6	50%	0.495	26%	0.262	S	S	.	.	H	α-helix	trans	-68.5	-37.6	174.3	-66	-55	-41.6	0	0	112.5	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 2.75Å; R93-Q96 PolarHBondContact O-N 2.98Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.36Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; Q96-R99 PolarHBondContact O-N 2.97Å; Q96-V100 WeakPolarHBondContact O-CG2 3.39Å; Q96-V100 PolarHBondContact O-N 3.43Å
97	T	97.4	Very high	97.1	Very high	66 Å²	66	55.8 Å²	55.8	41%	0.405	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-46.6	175.9	-59.7	0	0	0	0	110.7	R93 Q94 R99 V100 N101	R93-T97 PolarHBondContact O-N 3.27Å; R93-T97 PolarHBondContact O-OG1 2.95Å; Q94-T97 CarbonylContact O-C 3.56Å; Q94-T97 WeakPolarHBondContact O-CA 3.2Å; Q94-T97 WeakPolarHBondContact O-CB 3.41Å; Q94-T97 PolarHBondContact O-N 3.16Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 2.85Å; T97-V100 PolarHBondContact O-N 3.09Å; T97-V100 VanDerWaalsContact O-N 3.12Å; T97-N101 VanDerWaalsContact O-CG 3.25Å; T97-N101 PolarHBondContact O-N 3.45Å; T97-N101 PolarHBondContact O-ND2 3.4Å
98	D	97.4	Very high	97.1	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.027	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-34.6	-179.7	-70.7	-13.5	0	0	0	112.4	A35 F46 Q94 V100 N101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.64Å; F46-D98 VanDerWaalsContact CE2-OD2 3.23Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.47Å; Q94-D98 PolarHBondContact NE2-OD1 2.89Å; Q94-D98 PolarHBondContact NE2-OD2 2.7Å; Q94-D98 PolarHBondContact O-N 3.36Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.04Å; D98-N101 PolarHBondContact O-N 3.41Å; D98-L102 WeakPolarHBondContact O-CB 3.42Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.4Å; D98-L102 PolarHBondContact O-N 3.29Å; D98-L119 HydrophobicContact CB-CD2 4.17Å
99	R	96	Very high	97.1	Very high	63 Å²	63	60.9 Å²	60.9	24%	0.238	28%	0.284	C	S	.	.	H	α-helix	trans	-56.3	-45.7	169.4	176.2	-163.3	-178.4	-176.1	3.8	111.9	E43 P44 A95 Q96 T97 R103	E43-R99 IonicContact OE1-CZ 3.08Å; E43-R99 IonicContact OE1-NE 3.66Å; E43-R99 PolarHBondContact OE1-NE 3.41Å; E43-R99 IonicContact OE1-NH1 2.7Å; E43-R99 IonicContact OE1-NH2 3.04Å; E43-R99 PolarHBondContact OE1-NH2 3.42Å; E43-R99 WeakPolarHBondContact OE2-CD 3.35Å; E43-R99 IonicContact OE2-CZ 3.43Å; E43-R99 IonicContact OE2-NE 3.82Å; E43-R99 PolarHBondContact OE2-NE 3.45Å; E43-R99 IonicContact OE2-NH1 3.57Å; E43-R99 IonicContact OE2-NH2 2.6Å; P44-R99 HydrophobicContact CG-CB 4.21Å; P44-R99 HydrophobicContact CG-CG 4.13Å; A95-R99 WeakPolarHBondContact O-CB 3.1Å; A95-R99 PolarHBondContact O-N 2.95Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; Q96-R99 PolarHBondContact O-N 2.97Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 2.85Å; R99-R103 PolarHBondContact O-N 2.95Å
100	V	96.3	Very high	97	Very high	62 Å²	62	63.2 Å²	63.2	38%	0.376	30%	0.3	S	S	.	.	H	α-helix	trans	-69.2	-40.7	177.5	173.9	0	0	0	0	110.7	Q96 T97 D98 R103 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.39Å; Q96-V100 PolarHBondContact O-N 3.43Å; T97-V100 PolarHBondContact O-N 3.09Å; T97-V100 VanDerWaalsContact O-N 3.12Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.04Å; V100-R103 PolarHBondContact O-N 3.49Å; V100-K104 HydrophobicContact CG1-CD 4.27Å; V100-K104 PolarHBondContact O-N 3.34Å; V100-K104 VanDerWaalsContact O-N 3.09Å
101	N	97.4	Very high	96.9	Very high	47 Å²	47	63.5 Å²	63.5	25%	0.251	30%	0.302	S	S	.	.	H	α-helix	trans	-64.3	-42.5	179.5	-69.8	-20.9	0	0	0	112	T97 D98 R103 K104 L105 L119	T97-N101 VanDerWaalsContact O-CG 3.25Å; T97-N101 PolarHBondContact O-N 3.45Å; T97-N101 PolarHBondContact O-ND2 3.4Å; D98-N101 PolarHBondContact O-N 3.41Å; N101-R103 VanDerWaalsContact C-N 3.27Å; N101-R103 PolarHBondContact O-N 2.93Å; N101-K104 PolarHBondContact O-N 3.42Å; N101-L105 WeakPolarHBondContact O-CB 3.33Å; N101-L105 VanDerWaalsContact O-CG 3.28Å; N101-L105 WeakPolarHBondContact O-CG 3.36Å; N101-L105 PolarHBondContact O-N 3.41Å; N101-L119 HydrophobicContact CB-CD2 3.74Å
102	L	97.1	Very high	96.7	Very high	7 Å²	7	67.3 Å²	67.3	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-56	-40.9	174.7	-77.4	165.3	0	0	0	112.1	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.88Å; P44-L102 HydrophobicContact CB-CD1 3.73Å; P44-L102 HydrophobicContact CG-CD1 3.83Å; D98-L102 WeakPolarHBondContact O-CB 3.42Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.4Å; D98-L102 PolarHBondContact O-N 3.29Å; L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.47Å; L102-R106 VanDerWaalsContact O-N 3.07Å; L102-H117 HydrophobicContact CD2-CB 4.24Å; L102-L119 HydrophobicContact CD2-CB 3.69Å; L102-L119 HydrophobicContact CG-CB 4.12Å; L102-Y142 HydrophobicContact CD2-CE2 4.06Å
103	R	94.6	Very high	96.2	Very high	131 Å²	131	69.6 Å²	69.6	49%	0.494	34%	0.341	S	S	.	.	H	α-helix	trans	-67.1	-40.6	175.4	-66.8	177	-175.2	151.4	-0.7	112.5	R99 V100 N101 G107	R99-R103 PolarHBondContact O-N 2.95Å; V100-R103 PolarHBondContact O-N 3.49Å; N101-R103 VanDerWaalsContact C-N 3.27Å; N101-R103 PolarHBondContact O-N 2.93Å; R103-G107 PolarHBondContact O-N 2.94Å
104	K	96.1	Very high	95.7	Very high	102 Å²	102	66 Å²	66	44%	0.443	35%	0.346	S	S	.	.	H	α-helix	trans	-65.6	-47.7	177.7	-72.8	175.1	179.4	169	0	111.4	V100 N101 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.27Å; V100-K104 PolarHBondContact O-N 3.34Å; V100-K104 VanDerWaalsContact O-N 3.09Å; N101-K104 PolarHBondContact O-N 3.42Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 WeakPolarHBondContact O-CA 3.4Å; K104-G107 PolarHBondContact O-N 2.86Å; K104-Y108 WeakPolarHBondContact O-CD1 3.43Å; K104-Y108 PolarHBondContact O-N 2.93Å
105	L	97.4	Very high	95.4	Very high	7 Å²	7	65.6 Å²	65.6	4%	0.037	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-46.7	179.9	-70.3	167.8	0	0	0	110.8	N101 G107 Y108 Y109 L119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.33Å; N101-L105 VanDerWaalsContact O-CG 3.28Å; N101-L105 WeakPolarHBondContact O-CG 3.36Å; N101-L105 PolarHBondContact O-N 3.41Å; L105-G107 PolarHBondContact O-N 3.34Å; L105-Y108 HydrophobicContact CD2-CD2 4.46Å; L105-Y108 PolarHBondContact O-N 3.49Å; L105-Y109 HydrophobicContact CD2-CE2 4.32Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.5Å; L105-Y109 PolarHBondContact O-N 2.87Å; L105-L119 HydrophobicContact CD1-CD1 3.84Å; L105-L119 HydrophobicContact CD1-CD2 4.22Å; L105-L119 HydrophobicContact CD1-CG 4.49Å; L105-Y142 HydrophobicContact CB-CD1 4.46Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.13Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.56Å; L105-Y142 HydrophobicContact CD1-CE2 3.9Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.37Å; L105-Y142 HydrophobicContact CG-CE2 4.44Å; L105-Y147 HydrophobicContact CD2-CD1 4.47Å; L105-Y147 HydrophobicContact CD2-CD2 4.09Å; L105-Y147 HydrophobicContact CD2-CE1 3.87Å; L105-Y147 HydrophobicContact CD2-CE2 3.41Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.41Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.42Å
106	R	95.6	Very high	95.3	Very high	59 Å²	59	68.3 Å²	68.3	22%	0.223	37%	0.367	C	S	.	.	H	α-helix	trans	-52.1	-42.7	172.5	-171.4	-174.1	66.7	-179.3	8.8	112.3	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.47Å; L102-R106 VanDerWaalsContact O-N 3.07Å; R106-N110 PolarHBondContact O-N 3.4Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.74Å; R106-Q111 WeakPolarHBondContact CG-O 3.49Å; R106-Q111 PolarHBondContact O-N 3.3Å; R106-E113 IonicContact CZ-OE1 3.72Å; R106-E113 IonicContact NH1-OE1 3.33Å; R106-E113 IonicContact NH2-OE1 3.71Å; R106-E113 PolarHBondContact NH2-OE1 3.48Å
107	G	95.6	Very high	95.3	Very high	44 Å²	44	64 Å²	64	45%	0.454	35%	0.347	S	S	.	.	H	α-helix	trans	-66.1	-44.9	175.2	0	0	0	0	0	113.4	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.94Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 WeakPolarHBondContact O-CA 3.4Å; K104-G107 PolarHBondContact O-N 2.86Å; L105-G107 PolarHBondContact O-N 3.34Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.37Å; G107-N110 PolarHBondContact O-N 3.49Å; G107-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-OD1 3.31Å
108	Y	97.5	Very high	95.3	Very high	57 Å²	57	62.8 Å²	62.8	22%	0.224	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-35.6	178.6	-66	-9.6	0	0	0	112.7	K104 L105 I166 K170	K104-Y108 WeakPolarHBondContact O-CD1 3.43Å; K104-Y108 PolarHBondContact O-N 2.93Å; L105-Y108 HydrophobicContact CD2-CD2 4.46Å; L105-Y108 PolarHBondContact O-N 3.49Å; Y108-I166 HydrophobicContact CD1-CD1 4.25Å; Y108-I166 HydrophobicContact CD2-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CG2 4.19Å; Y108-I166 HydrophobicContact CE2-CB 4.16Å; Y108-I166 HydrophobicContact CE2-CG2 4.06Å; Y108-I166 HydrophobicContact CG-CD1 4.25Å; Y108-K170 PolarHBondContact OH-NZ 2.82Å
109	Y	97.6	Very high	95.4	Very high	68 Å²	68	63 Å²	63	27%	0.267	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	5.1	178.5	-69.2	-71.7	0	0	0	113.9	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.32Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.5Å; L105-Y109 PolarHBondContact O-N 2.87Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.37Å; Y109-Q111 PolarHBondContact O-N 3.19Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CG 4.47Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.4Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.28Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.48Å; Y109-D161 PolarHBondContact OH-OD2 3.38Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.93Å; Y109-A163 VanDerWaalsContact CZ-CB 3.49Å
110	N	96.3	Very high	95.5	Very high	152 Å²	152	63.8 Å²	63.8	81%	0.813	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	38.8	-177.8	-57.8	-54.7	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 3.4Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 3.49Å; G107-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-OD1 3.31Å
111	Q	96.1	Very high	95.6	Very high	60 Å²	60	62.1 Å²	62.1	28%	0.28	33%	0.334	S	S	.	.			trans	-86.8	153.4	-176.9	-69.8	168.9	-31.9	0	0	111.8	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.74Å; R106-Q111 WeakPolarHBondContact CG-O 3.49Å; R106-Q111 PolarHBondContact O-N 3.3Å; Y109-Q111 PolarHBondContact O-N 3.19Å; Q111-H117 PolarHBondContact NE2-CE1 2.93Å; Q111-H117 PolarHBondContact OE1-CE1 3.06Å; Q111-H117 PolarHBondContact OE1-ND1 2.99Å; Q111-Y142 PolarHBondContact OE1-OH 3.38Å; Q111-D143 PolarHBondContact NE2-OD2 2.93Å
112	S	93.1	Very high	95.7	Very high	80 Å²	80	60.9 Å²	60.9	56%	0.559	33%	0.327	S	S	*	.			trans	-73.8	154.6	-178.2	75.6	0	0	0	0	112.6	A114 G115	S112-A114 PolarHBondContact O-N 3.06Å; S112-G115 PolarHBondContact O-N 2.95Å
113	E	87.9	Confident	95.8	Very high	135 Å²	135	61.3 Å²	61.3	63%	0.631	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-20.5	178.8	-56.7	-152.7	125.3	0	0	114.1	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.38Å; R106-E113 IonicContact CZ-OE1 3.72Å; R106-E113 IonicContact NH1-OE1 3.33Å; R106-E113 IonicContact NH2-OE1 3.71Å; R106-E113 PolarHBondContact NH2-OE1 3.48Å; E113-G115 VanDerWaalsContact C-N 3.29Å
114	A	88.3	Confident	96	Very high	88 Å²	88	55.1 Å²	55.1	73%	0.727	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-15.5	179.8	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 3.06Å
115	G	91.1	Very high	96.1	Very high	21 Å²	21	50.2 Å²	50.2	22%	0.216	28%	0.284	C	S	.	.			trans	-70.3	136.1	179.2	0	0	0	0	0	113.1	P39 S112 E113 H117	P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.4Å; S112-G115 PolarHBondContact O-N 2.95Å; E113-G115 VanDerWaalsContact C-N 3.29Å; G115-H117 PolarHBondContact O-CD2 3.34Å
116	S	95.3	Very high	96.1	Very high	74 Å²	74	51 Å²	51	52%	0.517	29%	0.288	S	S	.	.			trans	-84.2	131.6	164.5	-176.5	0	0	0	0	108.4	S37	S37-S116 PolarHBondContact O-OG 2.92Å
117	H	97.2	Very high	96.1	Very high	16 Å²	16	48.3 Å²	48.3	7%	0.074	28%	0.278	C	S	.	.			trans	-130.6	150.7	-176.8	-63.6	-72.3	0	0	0	110.9	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 CarbonylContact C-O 3.53Å; V36-H117 WeakPolarHBondContact CA-O 3.32Å; S37-H117 PolarHBondContact N-O 3.35Å; S37-H117 PolarHBondContact OG-N 2.86Å; S37-H117 PolarHBondContact OG-O 3.03Å; L102-H117 HydrophobicContact CD2-CB 4.24Å; Q111-H117 PolarHBondContact NE2-CE1 2.93Å; Q111-H117 PolarHBondContact OE1-CE1 3.06Å; Q111-H117 PolarHBondContact OE1-ND1 2.99Å; G115-H117 PolarHBondContact O-CD2 3.34Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.41Å; H117-Y142 AromaticContact CG-CZ 3.96Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.82Å; H117-D143 WeakPolarHBondContact CA-OD1 3.05Å; H117-D143 WeakPolarHBondContact CB-OD1 3.34Å; H117-D143 IonicContact CE1-OD2 3.83Å; H117-D143 IonicContact CG-OD1 2.92Å; H117-D143 IonicContact CG-OD2 2.77Å; H117-D143 IonicContact ND1-OD1 3.6Å; H117-D143 IonicContact ND1-OD2 3.61Å; H117-D143 PolarHBondContact ND1-OD2 2.97Å
118	T	98.4	Very high	95.9	Very high	40 Å²	40	46.6 Å²	46.6	25%	0.245	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.9	-177.4	-53	0	0	0	0	109.6	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.04Å; A35-T118 WeakPolarHBondContact O-CA 3.46Å; V36-T118 HydrophobicContact CG2-CG2 4.26Å; T118-Q120 HydrophobicContact CG2-CG 3.83Å; T118-Y142 CarbonylContact O-C 3.55Å; T118-Y142 WeakPolarHBondContact O-CA 3.38Å; T118-Y142 WeakPolarHBondContact O-CD2 3.27Å; T118-D143 PolarHBondContact N-OD1 3.03Å; T118-D143 PolarHBondContact O-N 3.18Å
119	L	98.6	Very high	95.5	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.052	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.1	168.1	176.2	61.3	0	0	0	108.2	T34 A35 D98 N101 L102 L105 A141	T34-L119 WeakPolarHBondContact CA-O 3.48Å; A35-L119 HydrophobicContact CB-CB 4.45Å; A35-L119 PolarHBondContact N-O 2.79Å; A35-L119 PolarHBondContact O-N 2.95Å; D98-L119 HydrophobicContact CB-CD2 4.17Å; N101-L119 HydrophobicContact CB-CD2 3.74Å; L102-L119 HydrophobicContact CD2-CB 3.69Å; L102-L119 HydrophobicContact CG-CB 4.12Å; L105-L119 HydrophobicContact CD1-CD1 3.84Å; L105-L119 HydrophobicContact CD1-CD2 4.22Å; L105-L119 HydrophobicContact CD1-CG 4.49Å; L119-A141 WeakPolarHBondContact CD1-O 3.41Å
120	Q	98.8	Very high	95	Very high	79 Å²	79	49.8 Å²	49.8	37%	0.369	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	145.5	178	-63.8	173.9	-86.5	0	0	109.5	Y33 T34 T118 S140 A141	Y33-Q120 CarbonylContact O-C 3.59Å; Y33-Q120 VanDerWaalsContact O-CA 3.29Å; Y33-Q120 WeakPolarHBondContact O-CA 3.38Å; T34-Q120 HydrophobicContact CG2-CG 4.14Å; T118-Q120 HydrophobicContact CG2-CG 3.83Å; Q120-S140 CarbonylContact O-C 3.6Å; Q120-S140 WeakPolarHBondContact O-CA 3.38Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 2.9Å; Q120-A141 PolarHBondContact O-N 3.34Å
121	R	98.6	Very high	94.6	Very high	28 Å²	28	43.5 Å²	43.5	11%	0.106	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.9	174.5	-171.6	-177.1	-170	174.6	13.2	110.1	F32 Y33 Y123 D138 Q139 W180	F32-R121 CarbonylContact C-O 3.58Å; F32-R121 WeakPolarHBondContact CA-O 3.25Å; Y33-R121 PolarHBondContact N-O 2.9Å; Y33-R121 PolarHBondContact O-N 3.09Å; R121-Y123 HydrophobicContact CG-CD1 4.49Å; R121-D138 IonicContact CZ-OD1 3.8Å; R121-D138 VanDerWaalsContact CZ-OD1 3.29Å; R121-D138 IonicContact CZ-OD2 3.67Å; R121-D138 IonicContact NE-OD1 2.71Å; R121-D138 PolarHBondContact NE-OD1 3.43Å; R121-D138 IonicContact NE-OD2 3.05Å; R121-D138 IonicContact NH2-OD1 3.45Å; R121-D138 PolarHBondContact NH2-OD1 3.21Å; R121-D138 IonicContact NH2-OD2 2.65Å; R121-D138 PolarHBondContact NH2-OD2 2.88Å; R121-Q139 CarbonylContact C-O 3.55Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.21Å; R121-W180 VanDerWaalsContact CZ-CZ2 3.45Å
122	M	98.7	Very high	94.5	Very high	21 Å²	21	48.7 Å²	48.7	10%	0.103	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.3	169	-173.9	-77.7	-71.2	0	0	108.6	Y31 F32 Y137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.34Å; F32-M122 HydrophobicContact CD1-CB 3.97Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.13Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CG-CG 4.42Å; F32-M122 HydrophobicContact CZ-CG 3.97Å; M122-Y137 HydrophobicContact CE-CD1 4.03Å; M122-Y137 HydrophobicContact CE-CG 4.1Å; M122-D138 WeakPolarHBondContact O-CA 3.42Å; M122-Q139 HydrophobicContact CB-CG 4.09Å; M122-Q139 VanDerWaalsContact CE-CD 3.49Å; M122-Q139 HydrophobicContact CE-CG 3.93Å; M122-Q139 PolarHBondContact N-O 3.45Å; M122-Q139 PolarHBondContact O-N 2.63Å
123	Y	98.8	Very high	94.6	Very high	16 Å²	16	47.4 Å²	47.4	6%	0.063	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	158.7	171	70.1	-91.2	0	0	0	110.3	Y31 Y33 R121 Y137 W180 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.47Å; Y31-Y123 HydrophobicContact CD2-CD2 4.37Å; Y31-Y123 AromaticContact CD2-CE2 3.58Å; Y31-Y123 HydrophobicContact CD2-CE2 3.58Å; Y31-Y123 AromaticContact CD2-CZ 3.81Å; Y31-Y123 HydrophobicContact CE2-CE2 4.37Å; Y31-Y123 HydrophobicContact CG-CE1 4.35Å; Y31-Y123 AromaticContact CG-CE2 3.98Å; Y31-Y123 HydrophobicContact CG-CE2 3.98Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 2.9Å; Y31-Y123 PolarHBondContact O-N 3.03Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å; Y33-Y123 HydrophobicContact CD2-CE1 4.07Å; Y33-Y123 HydrophobicContact CE1-CE1 4.26Å; Y33-Y123 HydrophobicContact CE2-CD1 4.5Å; Y33-Y123 AromaticContact CE2-CE1 3.47Å; Y33-Y123 HydrophobicContact CE2-CE1 3.47Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.47Å; Y33-Y123 AromaticContact CZ-CE1 3.6Å; Y33-Y123 AromaticContact CZ-CZ 3.94Å; Y33-Y123 PolarHBondContact OH-OH 3.29Å; R121-Y123 HydrophobicContact CG-CD1 4.49Å; Y123-Y137 WeakPolarHBondContact CA-O 3.46Å; Y123-Y137 VanDerWaalsContact CB-O 3.22Å; Y123-Y137 WeakPolarHBondContact CB-O 3.37Å; Y123-W180 HydrophobicContact CD2-CH2 4.48Å; Y123-W180 AromaticContact CD2-CZ3 3.9Å; Y123-W180 HydrophobicContact CD2-CZ3 3.9Å; Y123-W180 HydrophobicContact CE2-CZ3 4.42Å; Y123-W180 HydrophobicContact CG-CH2 4.39Å; Y123-W180 HydrophobicContact CG-CZ3 4.02Å; Y123-Y183 AromaticContact CD2-CE1 3.89Å; Y123-Y183 HydrophobicContact CD2-CE1 3.89Å; Y123-Y183 AromaticContact CE2-CE1 3.84Å; Y123-Y183 HydrophobicContact CE2-CE1 3.84Å
124	G	98.6	Very high	95	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-176.6	-177	0	0	0	0	0	113.9	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; G124-G136 CarbonylContact O-C 3.6Å; G124-Y137 PolarHBondContact N-O 3.19Å; G124-Y137 PolarHBondContact O-N 2.99Å; G124-L184 WeakPolarHBondContact O-CD2 3.46Å
125	C	98.4	Very high	95.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	149	-177.7	52.7	0	0	0	0	111.2	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.34Å; M29-C125 PolarHBondContact N-O 3.44Å; M29-C125 PolarHBondContact O-N 3.18Å; C125-L133 HydrophobicContact CB-CD1 3.57Å; C125-R135 CarbonylContact C-O 3.58Å; C125-R135 WeakPolarHBondContact CA-O 3.36Å; C125-C188 HydrophobicContact CB-CB 3.95Å; C125-C188 WeakPolarHBondContact CB-SG 3.35Å; C125-C188 PolarHBondContact N-SG 2.83Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.28Å; C125-C188 PolarHBondContact SG-O 3.45Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.16Å
126	D	97.8	Very high	95.7	Very high	22 Å²	22	46.2 Å²	46.2	12%	0.118	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.3	173	-61.7	-4.4	0	0	0	108.9	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.55Å; H27-D126 WeakPolarHBondContact O-CA 3.39Å; S28-D126 WeakPolarHBondContact CB-OD1 3.33Å; R30-D126 IonicContact CZ-OD1 3.22Å; R30-D126 IonicContact NE-OD1 2.81Å; R30-D126 PolarHBondContact NE-OD1 2.75Å; R30-D126 VanDerWaalsContact NE-OD1 3.08Å; R30-D126 IonicContact NH2-OD1 2.66Å; R30-D126 PolarHBondContact NH2-OD1 3.06Å; R30-D126 IonicContact NH2-OD2 3.91Å; R30-D126 PolarHBondContact NH2-OD2 2.86Å; D126-L134 HydrophobicContact CB-CB 4.39Å; D126-L134 PolarHBondContact O-N 3.02Å; D126-R135 HydrophobicContact CB-CB 4.42Å; D126-R135 PolarHBondContact N-O 2.73Å; D126-R135 PolarHBondContact O-N 2.93Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.26Å; D126-Y137 PolarHBondContact OD2-OH 3.45Å
127	L	96	Very high	95.9	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.5	173.3	-57.8	-177	0	0	0	110	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 3.47Å; S26-L127 WeakPolarHBondContact CB-O 3.48Å; H27-L127 PolarHBondContact N-O 2.66Å; H27-L127 VanDerWaalsContact N-O 3.16Å; H27-L127 PolarHBondContact O-N 2.82Å; L127-R132 CarbonylContact C-O 3.58Å; L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.35Å; L127-V189 HydrophobicContact CD2-CB 4.18Å; L127-V189 HydrophobicContact CD2-CG1 3.77Å; L127-V189 HydrophobicContact CD2-CG2 3.82Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.28Å; L127-L192 HydrophobicContact CD1-CD2 3.72Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.19Å; L127-R193 HydrophobicContact CD1-CG 3.93Å
128	G	92.1	Very high	96	Very high	8 Å²	8	43.9 Å²	43.9	8%	0.082	22%	0.22	C	C	.	.			trans	-69.7	174.1	165.1	0	0	0	0	0	111.7	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.1Å; G128-G131 WeakPolarHBondContact O-CA 3.32Å; G128-G131 PolarHBondContact O-N 2.83Å; G128-R132 PolarHBondContact N-O 3.36Å
129	P	87.6	Confident	96	Very high	89 Å²	89	45.9 Å²	45.9	58%	0.578	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.6	178.9	-19.3	30.2	0	0	0	113.6	A24 G131	A24-P129 HydrophobicContact CB-CB 3.71Å; A24-P129 HydrophobicContact CB-CG 3.16Å; P129-G131 PolarHBondContact O-N 3.08Å
130	D	87.8	Confident	96	Very high	103 Å²	103	46.1 Å²	46.1	55%	0.551	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	3.3	174	69.9	-14.9	0	0	0	112.9	G128 R132	G128-D130 PolarHBondContact O-N 3.1Å; D130-R132 PolarHBondContact O-N 2.89Å; D130-R132 WeakPolarHBondContact OD1-CB 3.3Å; D130-R132 PolarHBondContact OD1-N 2.87Å; D130-R132 WeakPolarHBondContact OD2-CD 3.16Å; D130-R132 WeakPolarHBondContact OD2-CG 3.36Å; D130-R132 IonicContact OD2-NE 2.77Å
131	G	87.6	Confident	96	Very high	20 Å²	20	43.1 Å²	43.1	21%	0.206	22%	0.217	C	C	.	.	S	Bend	trans	71.6	10.2	-178.7	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.32Å; G128-G131 PolarHBondContact O-N 2.83Å; P129-G131 PolarHBondContact O-N 3.08Å; G131-R193 VanDerWaalsContact O-CZ 3.31Å; G131-R193 PolarHBondContact O-NE 2.88Å; G131-R193 VanDerWaalsContact O-NE 3.11Å; G131-R193 PolarHBondContact O-NH2 3.19Å
132	R	93.2	Very high	96	Very high	169 Å²	169	42.3 Å²	42.3	64%	0.638	21%	0.214	S	C	*	.	S	Bend	trans	-90.5	156.9	178.4	-61.9	-173.7	-176.6	170.4	-1.9	111.3	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.58Å; L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.35Å; G128-R132 PolarHBondContact N-O 3.36Å; D130-R132 PolarHBondContact O-N 2.89Å; D130-R132 WeakPolarHBondContact OD1-CB 3.3Å; D130-R132 PolarHBondContact OD1-N 2.87Å; D130-R132 WeakPolarHBondContact OD2-CD 3.16Å; D130-R132 WeakPolarHBondContact OD2-CG 3.36Å; D130-R132 IonicContact OD2-NE 2.77Å; R132-L134 PolarHBondContact O-N 3.42Å; R132-L134 VanDerWaalsContact O-N 3.09Å
133	L	96.4	Very high	95.9	Very high	52 Å²	52	44.2 Å²	44.2	27%	0.272	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	116.7	174.3	-176.9	71.8	0	0	0	109.6	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.57Å; L133-R135 WeakPolarHBondContact CD1-O 3.18Å; L133-L154 HydrophobicContact CD2-CD1 4.15Å; L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.64Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 4.04Å
134	L	96.2	Very high	95.9	Very high	122 Å²	122	46.3 Å²	46.3	64%	0.639	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	-45.6	171.2	-179.7	62.9	0	0	0	110.1	D126 R132	D126-L134 HydrophobicContact CB-CB 4.39Å; D126-L134 PolarHBondContact O-N 3.02Å; R132-L134 PolarHBondContact O-N 3.42Å; R132-L134 VanDerWaalsContact O-N 3.09Å
135	R	96.8	Very high	95.9	Very high	92 Å²	92	53.9 Å²	53.9	35%	0.347	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	144.2	-177.4	-172.8	161.3	170.7	142.2	10	112.1	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.58Å; C125-R135 WeakPolarHBondContact CA-O 3.36Å; D126-R135 HydrophobicContact CB-CB 4.42Å; D126-R135 PolarHBondContact N-O 2.73Å; D126-R135 PolarHBondContact O-N 2.93Å; L133-R135 WeakPolarHBondContact CD1-O 3.18Å; R135-Y137 HydrophobicContact CB-CE2 4.04Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 WeakPolarHBondContact CD-OH 3.11Å; R135-Y137 HydrophobicContact CG-CD2 4.38Å; R135-Y137 HydrophobicContact CG-CE1 4.14Å; R135-Y137 HydrophobicContact CG-CE2 3.68Å; R135-Y137 VanDerWaalsContact NE-CE1 3.26Å; R135-Y137 PolarHBondContact NE-OH 3.09Å; R135-E152 VanDerWaalsContact CZ-CD 3.42Å; R135-E152 VanDerWaalsContact CZ-CG 3.47Å; R135-E152 IonicContact CZ-OE1 3.67Å; R135-E152 IonicContact NH1-OE1 3.52Å; R135-E152 PolarHBondContact NH1-OE1 2.92Å; R135-E152 IonicContact NH1-OE2 2.8Å; R135-E152 VanDerWaalsContact NH2-CD 3.35Å; R135-E152 VanDerWaalsContact NH2-CG 3.25Å; R135-E152 IonicContact NH2-OE1 3.84Å; R135-E152 PolarHBondContact NH2-OE1 2.92Å
136	G	98.1	Very high	95.9	Very high	6 Å²	6	60 Å²	60	6%	0.062	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	152.5	171.7	0	0	0	0	0	111.6	G124	G124-G136 CarbonylContact O-C 3.6Å
137	Y	98.4	Very high	95.9	Very high	38 Å²	38	59.4 Å²	59.4	15%	0.149	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.3	-177	-57.4	-94.2	0	0	0	110.9	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 3.2Å; M122-Y137 HydrophobicContact CE-CD1 4.03Å; M122-Y137 HydrophobicContact CE-CG 4.1Å; Y123-Y137 WeakPolarHBondContact CA-O 3.46Å; Y123-Y137 VanDerWaalsContact CB-O 3.22Å; Y123-Y137 WeakPolarHBondContact CB-O 3.37Å; G124-Y137 PolarHBondContact N-O 3.19Å; G124-Y137 PolarHBondContact O-N 2.99Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.26Å; D126-Y137 PolarHBondContact OD2-OH 3.45Å; R135-Y137 HydrophobicContact CB-CE2 4.04Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 WeakPolarHBondContact CD-OH 3.11Å; R135-Y137 HydrophobicContact CG-CD2 4.38Å; R135-Y137 HydrophobicContact CG-CE1 4.14Å; R135-Y137 HydrophobicContact CG-CE2 3.68Å; R135-Y137 VanDerWaalsContact NE-CE1 3.26Å; R135-Y137 PolarHBondContact NE-OH 3.09Å
138	D	98.5	Very high	96.1	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.011	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	108.3	159.2	178.2	24.5	0	0	0	108.6	R121 M122 L150 W180	R121-D138 IonicContact CZ-OD1 3.8Å; R121-D138 VanDerWaalsContact CZ-OD1 3.29Å; R121-D138 IonicContact CZ-OD2 3.67Å; R121-D138 IonicContact NE-OD1 2.71Å; R121-D138 PolarHBondContact NE-OD1 3.43Å; R121-D138 IonicContact NE-OD2 3.05Å; R121-D138 IonicContact NH2-OD1 3.45Å; R121-D138 PolarHBondContact NH2-OD1 3.21Å; R121-D138 IonicContact NH2-OD2 2.65Å; R121-D138 PolarHBondContact NH2-OD2 2.88Å; M122-D138 WeakPolarHBondContact O-CA 3.42Å; D138-L150 HydrophobicContact CB-CB 4.07Å; D138-L150 HydrophobicContact CB-CD2 4.3Å; D138-L150 WeakPolarHBondContact O-CB 3.47Å; D138-L150 PolarHBondContact O-N 3.33Å; D138-W180 HydrophobicContact CB-CD2 4.33Å; D138-W180 HydrophobicContact CB-CE3 4.3Å; D138-W180 PolarHBondContact OD2-NE1 3.25Å
139	Q	98.6	Very high	96.4	Very high	82 Å²	82	60.4 Å²	60.4	38%	0.383	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	143.3	-177	64.2	-168.8	51.2	0	0	111.1	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.55Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.21Å; M122-Q139 HydrophobicContact CB-CG 4.09Å; M122-Q139 VanDerWaalsContact CE-CD 3.49Å; M122-Q139 HydrophobicContact CE-CG 3.93Å; M122-Q139 PolarHBondContact N-O 3.45Å; M122-Q139 PolarHBondContact O-N 2.63Å; Q139-I148 WeakPolarHBondContact CA-O 3.3Å; Q139-A149 HydrophobicContact CB-CB 3.88Å
140	S	98.7	Very high	96.9	Very high	15 Å²	15	56.9 Å²	56.9	11%	0.105	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.8	179.1	-58.6	0	0	0	0	111	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.6Å; Q120-S140 WeakPolarHBondContact O-CA 3.38Å; S140-Y147 WeakPolarHBondContact O-CA 3.32Å; S140-Y147 WeakPolarHBondContact O-CB 3.43Å; S140-Y147 PolarHBondContact O-N 2.85Å; S140-I148 PolarHBondContact N-O 3.03Å; S140-I148 PolarHBondContact O-N 3.49Å
141	A	98.8	Very high	97.4	Very high	16 Å²	16	54 Å²	54	13%	0.132	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.5	175.4	0	0	0	0	0	110.5	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.41Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 2.9Å; Q120-A141 PolarHBondContact O-N 3.34Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.43Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.3Å
142	Y	98.7	Very high	97.9	Very high	11 Å²	11	59.5 Å²	59.5	4%	0.043	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.9	177.5	-175.3	-116	0	0	0	110.1	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.06Å; L105-Y142 HydrophobicContact CB-CD1 4.46Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.13Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.56Å; L105-Y142 HydrophobicContact CD1-CE2 3.9Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.37Å; L105-Y142 HydrophobicContact CG-CE2 4.44Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CG 4.47Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Q111-Y142 PolarHBondContact OE1-OH 3.38Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.41Å; H117-Y142 AromaticContact CG-CZ 3.96Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.82Å; T118-Y142 CarbonylContact O-C 3.55Å; T118-Y142 WeakPolarHBondContact O-CA 3.38Å; T118-Y142 WeakPolarHBondContact O-CD2 3.27Å; Y142-G144 PolarHBondContact O-N 3.49Å; Y142-K145 PolarHBondContact N-O 3.44Å; Y142-K145 PolarHBondContact O-N 2.97Å; Y142-K145 VanDerWaalsContact O-N 3.07Å
143	D	97.9	Very high	98.1	Very high	62 Å²	62	55.1 Å²	55.1	33%	0.332	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	40.1	-174.6	-66.8	-23.2	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.93Å; H117-D143 WeakPolarHBondContact CA-OD1 3.05Å; H117-D143 WeakPolarHBondContact CB-OD1 3.34Å; H117-D143 IonicContact CE1-OD2 3.83Å; H117-D143 IonicContact CG-OD1 2.92Å; H117-D143 IonicContact CG-OD2 2.77Å; H117-D143 IonicContact ND1-OD1 3.6Å; H117-D143 IonicContact ND1-OD2 3.61Å; H117-D143 PolarHBondContact ND1-OD2 2.97Å; T118-D143 PolarHBondContact N-OD1 3.03Å; T118-D143 PolarHBondContact O-N 3.18Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.93Å
144	G	97.2	Very high	98.2	Very high	59 Å²	59	53.1 Å²	53.1	61%	0.608	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	8.4	177.7	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 3.49Å
145	K	98.4	Very high	98.2	Very high	159 Å²	159	55.4 Å²	55.4	69%	0.691	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.9	176.4	-62.5	-179.3	-178.4	179.6	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.43Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.3Å; Y142-K145 PolarHBondContact N-O 3.44Å; Y142-K145 PolarHBondContact O-N 2.97Å; Y142-K145 VanDerWaalsContact O-N 3.07Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.93Å; K145-Y147 PolarHBondContact O-N 2.94Å
146	D	98.7	Very high	98.3	Very high	130 Å²	130	53 Å²	53	70%	0.695	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.1	136.8	174.2	-66.8	-22.7	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.25Å; D146-A160 WeakPolarHBondContact O-CB 3.42Å
147	Y	98.8	Very high	98.3	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.035	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-62.9	178.2	-179.4	-107.8	0	0	0	110.2	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.47Å; L105-Y147 HydrophobicContact CD2-CD2 4.09Å; L105-Y147 HydrophobicContact CD2-CE1 3.87Å; L105-Y147 HydrophobicContact CD2-CE2 3.41Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.41Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.42Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.4Å; S140-Y147 WeakPolarHBondContact O-CA 3.32Å; S140-Y147 WeakPolarHBondContact O-CB 3.43Å; S140-Y147 PolarHBondContact O-N 2.85Å; K145-Y147 PolarHBondContact O-N 2.94Å; Y147-A160 WeakPolarHBondContact O-CB 3.5Å; Y147-A160 PolarHBondContact O-N 3.31Å; Y147-A163 HydrophobicContact CE2-CB 4.46Å; Y147-A163 PolarHBondContact OH-O 3.47Å; Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 HydrophobicContact CE2-CB 3.73Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.4Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 3.32Å
148	I	98.7	Very high	98.3	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	142	179.8	-161.4	170.8	0	0	0	110.5	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.3Å; S140-I148 PolarHBondContact N-O 3.03Å; S140-I148 PolarHBondContact O-N 3.49Å; I148-W157 HydrophobicContact CD1-CB 4.26Å; I148-W157 HydrophobicContact CD1-CD2 4.49Å; I148-W157 HydrophobicContact CD1-CE3 4.31Å; I148-W157 HydrophobicContact CD1-CG 4.49Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.12Å; I148-T158 WeakPolarHBondContact CA-O 3.36Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; I148-Q168 HydrophobicContact CD1-CB 3.95Å; I148-W171 HydrophobicContact CD1-CE3 3.92Å; I148-W171 HydrophobicContact CD1-CZ3 4.15Å; I148-W171 HydrophobicContact CG2-CE3 4.48Å; I148-W171 HydrophobicContact CG2-CH2 3.97Å; I148-W171 HydrophobicContact CG2-CZ3 3.67Å
149	A	98.8	Very high	98.3	Very high	29 Å²	29	56.1 Å²	56.1	24%	0.24	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.7	178.4	0	0	0	0	0	111.7	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.88Å; A149-W157 CarbonylContact O-C 3.51Å; A149-W157 WeakPolarHBondContact O-CA 3.47Å; A149-T158 PolarHBondContact N-O 2.98Å; A149-T158 PolarHBondContact O-N 3.41Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	55 Å²	55	7%	0.073	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	128.8	168.6	-175.3	65.6	0	0	0	108.6	D138 L154 W157 A177 W180 L184	D138-L150 HydrophobicContact CB-CB 4.07Å; D138-L150 HydrophobicContact CB-CD2 4.3Å; D138-L150 WeakPolarHBondContact O-CB 3.47Å; D138-L150 PolarHBondContact O-N 3.33Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.27Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.04Å; L150-W157 HydrophobicContact CB-CZ3 3.59Å; L150-W157 HydrophobicContact CD1-CD2 4.16Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 3.98Å; L150-W157 HydrophobicContact CD1-CZ2 3.88Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CH2 4.48Å; L150-W157 HydrophobicContact CG-CZ3 4.44Å; L150-A177 HydrophobicContact CD1-CB 3.98Å; L150-W180 HydrophobicContact CD2-CB 4.03Å; L150-L184 HydrophobicContact CD2-CD1 3.88Å
151	N	98.6	Very high	98.3	Very high	43 Å²	43	56.8 Å²	56.8	23%	0.23	31%	0.314	C	S	.	.			trans	-73.4	162.4	179.8	-67.7	-27.8	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.28Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 PolarHBondContact O-N 2.9Å; N151-S156 WeakPolarHBondContact CB-O 3.46Å; N151-S156 WeakPolarHBondContact CB-OG 3.35Å; N151-S156 PolarHBondContact N-O 2.88Å; N151-S156 PolarHBondContact ND2-OG 3.22Å; N151-T158 PolarHBondContact ND2-OG1 3.31Å; N151-T158 WeakPolarHBondContact OD1-CB 3.33Å; N151-T158 PolarHBondContact OD1-OG1 2.9Å
152	E	97.4	Very high	98.3	Very high	135 Å²	135	61.3 Å²	61.3	63%	0.631	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.5	-180	-66.4	178.5	-162.7	0	0	113.6	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.42Å; R135-E152 VanDerWaalsContact CZ-CG 3.47Å; R135-E152 IonicContact CZ-OE1 3.67Å; R135-E152 IonicContact NH1-OE1 3.52Å; R135-E152 PolarHBondContact NH1-OE1 2.92Å; R135-E152 IonicContact NH1-OE2 2.8Å; R135-E152 VanDerWaalsContact NH2-CD 3.35Å; R135-E152 VanDerWaalsContact NH2-CG 3.25Å; R135-E152 IonicContact NH2-OE1 3.84Å; R135-E152 PolarHBondContact NH2-OE1 2.92Å; E152-L154 PolarHBondContact O-N 3.34Å
153	D	97.4	Very high	98.2	Very high	78 Å²	78	61 Å²	61	42%	0.417	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-8.9	174.7	70	3.5	0	0	0	113.8	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.28Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-R155 WeakPolarHBondContact O-CG 3.3Å; D153-R155 PolarHBondContact O-N 2.9Å; D153-R155 PolarHBondContact OD1-N 2.87Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.35Å; D153-S156 PolarHBondContact OD1-OG 2.99Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.26Å; D153-S156 PolarHBondContact OD2-OG 3.19Å
154	L	97.9	Very high	98.3	Very high	10 Å²	10	58 Å²	58	5%	0.052	33%	0.325	C	S	.	.	S	Bend	trans	53.2	28.4	-174.9	-53	-179.2	0	0	0	113.5	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.15Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.27Å; N151-L154 PolarHBondContact O-N 2.9Å; E152-L154 PolarHBondContact O-N 3.34Å; L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.89Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; L154-E185 HydrophobicContact CD1-CG 4.35Å
155	R	97.6	Very high	98.3	Very high	169 Å²	169	58.8 Å²	58.8	64%	0.638	31%	0.312	S	S	*	.	S	Bend	trans	-134.3	-29.9	-174.7	-70.5	172.3	-171	-142.6	5.9	112.9	D153 A177 R181	D153-R155 WeakPolarHBondContact O-CG 3.3Å; D153-R155 PolarHBondContact O-N 2.9Å; D153-R155 PolarHBondContact OD1-N 2.87Å; R155-A177 WeakPolarHBondContact O-CB 3.46Å; R155-R181 VanDerWaalsContact NH2-NH1 3.12Å
156	S	98	Very high	98.3	Very high	41 Å²	41	54.1 Å²	54.1	29%	0.287	29%	0.294	S	S	.	.			trans	-119	163.3	-176.9	63.6	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.46Å; N151-S156 WeakPolarHBondContact CB-OG 3.35Å; N151-S156 PolarHBondContact N-O 2.88Å; N151-S156 PolarHBondContact ND2-OG 3.22Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.35Å; D153-S156 PolarHBondContact OD1-OG 2.99Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.26Å; D153-S156 PolarHBondContact OD2-OG 3.19Å
157	W	98.7	Very high	98.3	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.038	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.9	-177.9	-60.7	91.7	0	0	0	110.7	I148 A149 L150 Q168 W171 E176 A177	I148-W157 HydrophobicContact CD1-CB 4.26Å; I148-W157 HydrophobicContact CD1-CD2 4.49Å; I148-W157 HydrophobicContact CD1-CE3 4.31Å; I148-W157 HydrophobicContact CD1-CG 4.49Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.12Å; A149-W157 CarbonylContact O-C 3.51Å; A149-W157 WeakPolarHBondContact O-CA 3.47Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.04Å; L150-W157 HydrophobicContact CB-CZ3 3.59Å; L150-W157 HydrophobicContact CD1-CD2 4.16Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 3.98Å; L150-W157 HydrophobicContact CD1-CZ2 3.88Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CH2 4.48Å; L150-W157 HydrophobicContact CG-CZ3 4.44Å; W157-Q168 HydrophobicContact CB-CG 4.17Å; W157-Q168 PolarHBondContact O-NE2 2.9Å; W157-W171 AromaticContact CD2-CE3 3.82Å; W157-W171 HydrophobicContact CD2-CE3 3.82Å; W157-W171 HydrophobicContact CD2-CZ3 4.32Å; W157-W171 AromaticContact CE2-CE3 3.72Å; W157-W171 AromaticContact CE3-CE3 3.72Å; W157-W171 HydrophobicContact CE3-CE3 3.72Å; W157-W171 AromaticContact CE3-CZ3 3.74Å; W157-W171 HydrophobicContact CE3-CZ3 3.74Å; W157-W171 AromaticContact CH2-CE3 3.49Å; W157-W171 HydrophobicContact CH2-CE3 3.49Å; W157-W171 VanDerWaalsContact CH2-CE3 3.49Å; W157-W171 HydrophobicContact CH2-CH2 4.49Å; W157-W171 AromaticContact CH2-CZ3 3.43Å; W157-W171 HydrophobicContact CH2-CZ3 3.43Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.43Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CZ3 4.02Å; W157-W171 AromaticContact CZ3-CE3 3.58Å; W157-W171 HydrophobicContact CZ3-CE3 3.58Å; W157-W171 HydrophobicContact CZ3-CH2 4.45Å; W157-W171 AromaticContact CZ3-CZ3 3.28Å; W157-W171 HydrophobicContact CZ3-CZ3 3.28Å; W157-E176 HydrophobicContact CZ2-CB 4.23Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å
158	T	98.7	Very high	98.3	Very high	79 Å²	79	50.2 Å²	50.2	49%	0.485	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.5	166.8	-66.5	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.36Å; A149-T158 PolarHBondContact N-O 2.98Å; A149-T158 PolarHBondContact O-N 3.41Å; N151-T158 PolarHBondContact ND2-OG1 3.31Å; N151-T158 WeakPolarHBondContact OD1-CB 3.33Å; N151-T158 PolarHBondContact OD1-OG1 2.9Å
159	A	98.7	Very high	98.3	Very high	23 Å²	23	57.5 Å²	57.5	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.4	174.7	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.73Å; A159-Q165 HydrophobicContact CB-CG 3.97Å; A159-Q168 HydrophobicContact CB-CB 4.38Å
160	A	98.5	Very high	98.3	Very high	58 Å²	58	61.5 Å²	61.5	48%	0.479	31%	0.313	S	S	.	.	S	Bend	trans	-74.6	-29.9	-176.7	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.25Å; D146-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 WeakPolarHBondContact O-CB 3.5Å; Y147-A160 PolarHBondContact O-N 3.31Å
161	D	98.3	Very high	98.2	Very high	53 Å²	53	63.5 Å²	63.5	28%	0.283	32%	0.319	S	S	.	.	S	Bend	trans	-151.7	-176.1	-178.6	67.6	29.4	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.28Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.48Å; Y109-D161 PolarHBondContact OH-OD2 3.38Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.7Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.21Å; D161-A163 PolarHBondContact OD1-N 3.11Å; D161-A164 PolarHBondContact O-N 2.78Å; D161-A164 PolarHBondContact OD1-N 2.87Å; D161-Q165 WeakPolarHBondContact O-CG 3.14Å; D161-Q165 PolarHBondContact O-N 3.41Å
162	T	98.1	Very high	98.2	Very high	111 Å²	111	66 Å²	66	68%	0.681	33%	0.329	S	S	*	.	H	α-helix	trans	-65.3	-27.9	-179.4	51.6	0	0	0	0	114
163	A	97.9	Very high	98.3	Very high	5 Å²	5	63.7 Å²	63.7	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-73.5	-43.1	175.5	0	0	0	0	0	110.1	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.93Å; Y109-A163 VanDerWaalsContact CZ-CB 3.49Å; Y147-A163 HydrophobicContact CE2-CB 4.46Å; Y147-A163 PolarHBondContact OH-O 3.47Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.7Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.21Å; D161-A163 PolarHBondContact OD1-N 3.11Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.86Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.06Å; A163-I166 PolarHBondContact O-N 3.45Å
164	A	98.4	Very high	98.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-34.8	173.8	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 HydrophobicContact CE2-CB 3.73Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.4Å; A159-A164 HydrophobicContact CB-CB 3.73Å; D161-A164 PolarHBondContact O-N 2.78Å; D161-A164 PolarHBondContact OD1-N 2.87Å; A164-I166 PolarHBondContact O-N 3.49Å; A164-T167 WeakPolarHBondContact O-CA 3.17Å; A164-T167 WeakPolarHBondContact O-CB 3.3Å; A164-T167 PolarHBondContact O-N 3.06Å; A164-Q168 PolarHBondContact O-N 3.46Å
165	Q	98.6	Very high	98.3	Very high	74 Å²	74	69.4 Å²	69.4	35%	0.346	36%	0.36	S	S	.	.	H	α-helix	trans	-58.9	-28.2	173.3	-73.1	174.8	11.6	0	0	113	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.97Å; D161-Q165 WeakPolarHBondContact O-CG 3.14Å; D161-Q165 PolarHBondContact O-N 3.41Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.86Å; Q165-R169 WeakPolarHBondContact O-CG 3.04Å; Q165-R169 PolarHBondContact O-N 3.49Å; Q165-R169 VanDerWaalsContact O-N 3.11Å
166	I	98.2	Very high	98.3	Very high	61 Å²	61	63.9 Å²	63.9	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-67	-42.7	174.2	-56.4	170.7	0	0	0	110	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.25Å; Y108-I166 HydrophobicContact CD2-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CG2 4.19Å; Y108-I166 HydrophobicContact CE2-CB 4.16Å; Y108-I166 HydrophobicContact CE2-CG2 4.06Å; Y108-I166 HydrophobicContact CG-CD1 4.25Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.06Å; A163-I166 PolarHBondContact O-N 3.45Å; A164-I166 PolarHBondContact O-N 3.49Å; I166-K170 WeakPolarHBondContact O-CG 3.23Å; I166-K170 PolarHBondContact O-N 2.75Å
167	T	98.2	Very high	98.3	Very high	19 Å²	19	62.3 Å²	62.3	12%	0.117	33%	0.331	C	S	.	.	H	α-helix	trans	-66.2	-46	174.6	-69.4	0	0	0	0	111	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 3.32Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; A164-T167 WeakPolarHBondContact O-CA 3.17Å; A164-T167 WeakPolarHBondContact O-CB 3.3Å; A164-T167 PolarHBondContact O-N 3.06Å; T167-R169 PolarHBondContact O-N 2.87Å; T167-K170 WeakPolarHBondContact O-CB 3.37Å; T167-K170 PolarHBondContact O-N 3.04Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.17Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 4.37Å; T167-W171 HydrophobicContact CG2-CZ2 3.9Å; T167-W171 HydrophobicContact CG2-CZ3 4.48Å; T167-W171 PolarHBondContact O-N 3.08Å
168	Q	98.6	Very high	98.3	Very high	39 Å²	39	67.3 Å²	67.3	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-51.5	-53.4	178.1	175.8	174.8	14.4	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.95Å; W157-Q168 HydrophobicContact CB-CG 4.17Å; W157-Q168 PolarHBondContact O-NE2 2.9Å; A159-Q168 HydrophobicContact CB-CB 4.38Å; A164-Q168 PolarHBondContact O-N 3.46Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 2.04Å; Q168-W171 PolarHBondContact O-N 3.37Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.29Å; Q168-E172 PolarHBondContact NE2-OE1 2.74Å; Q168-E172 WeakPolarHBondContact O-CB 3.3Å; Q168-E172 WeakPolarHBondContact O-CG 3.33Å; Q168-E172 PolarHBondContact O-N 3.04Å
169	R	98.6	Very high	98.2	Very high	157 Å²	157	69.3 Å²	69.3	59%	0.592	36%	0.358	S	S	*	.	H	α-helix	trans	-59.5	-36.2	179.9	-68	171.3	-165	154.4	8.6	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.04Å; Q165-R169 PolarHBondContact O-N 3.49Å; Q165-R169 VanDerWaalsContact O-N 3.11Å; T167-R169 PolarHBondContact O-N 2.87Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.43Å; R169-A173 PolarHBondContact O-N 3.13Å; R169-A173 VanDerWaalsContact O-N 3.07Å
170	K	98.1	Very high	98.2	Very high	113 Å²	113	70.2 Å²	70.2	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-68.2	-43.5	176.7	-71.9	175.5	179.5	-178.3	0	111.3	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.82Å; I166-K170 WeakPolarHBondContact O-CG 3.23Å; I166-K170 PolarHBondContact O-N 2.75Å; T167-K170 WeakPolarHBondContact O-CB 3.37Å; T167-K170 PolarHBondContact O-N 3.04Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 2.04Å; K170-A173 PolarHBondContact O-N 2.78Å; K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 3.24Å
171	W	98.3	Very high	98.2	Very high	55 Å²	55	71.1 Å²	71.1	21%	0.208	35%	0.347	C	S	.	.	H	α-helix	trans	-69.9	-37.5	179.9	-74.5	3.6	0	0	0	112.6	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.92Å; I148-W171 HydrophobicContact CD1-CZ3 4.15Å; I148-W171 HydrophobicContact CG2-CE3 4.48Å; I148-W171 HydrophobicContact CG2-CH2 3.97Å; I148-W171 HydrophobicContact CG2-CZ3 3.67Å; W157-W171 AromaticContact CD2-CE3 3.82Å; W157-W171 HydrophobicContact CD2-CE3 3.82Å; W157-W171 HydrophobicContact CD2-CZ3 4.32Å; W157-W171 AromaticContact CE2-CE3 3.72Å; W157-W171 AromaticContact CE3-CE3 3.72Å; W157-W171 HydrophobicContact CE3-CE3 3.72Å; W157-W171 AromaticContact CE3-CZ3 3.74Å; W157-W171 HydrophobicContact CE3-CZ3 3.74Å; W157-W171 AromaticContact CH2-CE3 3.49Å; W157-W171 HydrophobicContact CH2-CE3 3.49Å; W157-W171 VanDerWaalsContact CH2-CE3 3.49Å; W157-W171 HydrophobicContact CH2-CH2 4.49Å; W157-W171 AromaticContact CH2-CZ3 3.43Å; W157-W171 HydrophobicContact CH2-CZ3 3.43Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.43Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CZ3 4.02Å; W157-W171 AromaticContact CZ3-CE3 3.58Å; W157-W171 HydrophobicContact CZ3-CE3 3.58Å; W157-W171 HydrophobicContact CZ3-CH2 4.45Å; W157-W171 AromaticContact CZ3-CZ3 3.28Å; W157-W171 HydrophobicContact CZ3-CZ3 3.28Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.17Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 4.37Å; T167-W171 HydrophobicContact CG2-CZ2 3.9Å; T167-W171 HydrophobicContact CG2-CZ3 4.48Å; T167-W171 PolarHBondContact O-N 3.08Å; Q168-W171 PolarHBondContact O-N 3.37Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 3.43Å; W171-R175 PolarHBondContact O-N 2.84Å; W171-E176 HydrophobicContact CB-CB 3.96Å; W171-E176 HydrophobicContact CB-CG 3.87Å; W171-E176 HydrophobicContact CG-CB 4.15Å; W171-E176 HydrophobicContact CG-CG 3.83Å; W171-E176 PolarHBondContact O-N 2.85Å
172	E	98.4	Very high	98.2	Very high	95 Å²	95	71.8 Å²	71.8	44%	0.444	36%	0.36	S	S	.	.	H	α-helix	trans	-63.6	-46.6	172.1	-72.8	169.8	173.6	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.29Å; Q168-E172 PolarHBondContact NE2-OE1 2.74Å; Q168-E172 WeakPolarHBondContact O-CB 3.3Å; Q168-E172 WeakPolarHBondContact O-CG 3.33Å; Q168-E172 PolarHBondContact O-N 3.04Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.1Å; E172-R175 PolarHBondContact O-N 3.24Å; E172-R175 VanDerWaalsContact O-N 3.11Å
173	A	98.4	Very high	98.2	Very high	88 Å²	88	68.3 Å²	68.3	73%	0.727	34%	0.335	S	S	*	.	H	α-helix	trans	-62.3	-33.9	176.7	0	0	0	0	0	112.8	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.43Å; R169-A173 PolarHBondContact O-N 3.13Å; R169-A173 VanDerWaalsContact O-N 3.07Å; K170-A173 PolarHBondContact O-N 2.78Å
174	A	98.1	Very high	98.2	Very high	50 Å²	50	68.1 Å²	68.1	41%	0.413	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.6	177.1	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 3.24Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 3.43Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.1Å; A174-E176 HydrophobicContact CB-CG 4.06Å; A174-E176 PolarHBondContact O-N 2.83Å
175	R	97.8	Very high	98.2	Very high	158 Å²	158	72.5 Å²	72.5	60%	0.596	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	38.9	-176.5	-56.4	-178.5	174.6	-153.3	3.3	113.7	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 2.84Å; E172-R175 PolarHBondContact O-N 3.24Å; E172-R175 VanDerWaalsContact O-N 3.11Å; R175-A177 PolarHBondContact O-N 2.81Å; R175-E178 HydrophobicContact CB-CG 4.26Å; R175-E178 IonicContact NH1-OE1 3.53Å; R175-E178 PolarHBondContact NH1-OE1 3.03Å; R175-E178 IonicContact NH1-OE2 2.76Å; R175-E178 WeakPolarHBondContact O-CB 3.22Å; R175-E178 PolarHBondContact O-N 3.11Å
176	E	97.9	Very high	98.2	Very high	53 Å²	53	70 Å²	70	25%	0.248	35%	0.348	C	S	.	.	H	α-helix	trans	-58.5	-33.6	-178.3	-68.3	-76.1	-177	0	0	112.4	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.23Å; W171-E176 HydrophobicContact CB-CB 3.96Å; W171-E176 HydrophobicContact CB-CG 3.87Å; W171-E176 HydrophobicContact CG-CB 4.15Å; W171-E176 HydrophobicContact CG-CG 3.83Å; W171-E176 PolarHBondContact O-N 2.85Å; A174-E176 HydrophobicContact CB-CG 4.06Å; A174-E176 PolarHBondContact O-N 2.83Å; E176-E178 VanDerWaalsContact C-N 3.25Å; E176-E178 PolarHBondContact O-N 3.37Å; E176-Q179 PolarHBondContact O-N 3.19Å; E176-Q179 VanDerWaalsContact O-N 3.13Å; E176-W180 VanDerWaalsContact O-CD1 3.31Å; E176-W180 PolarHBondContact O-N 2.99Å
177	A	98.3	Very high	98.1	Very high	8 Å²	8	71.7 Å²	71.7	7%	0.066	36%	0.355	C	S	.	.	H	α-helix	trans	-60.2	-34	177.5	0	0	0	0	0	112.6	L150 R155 W157 R175 Q179 W180 R181	L150-A177 HydrophobicContact CD1-CB 3.98Å; R155-A177 WeakPolarHBondContact O-CB 3.46Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å; R175-A177 PolarHBondContact O-N 2.81Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 2.86Å; A177-W180 PolarHBondContact O-N 2.98Å; A177-R181 WeakPolarHBondContact O-CB 3.17Å; A177-R181 PolarHBondContact O-N 2.63Å
178	E	98.1	Very high	98.2	Very high	115 Å²	115	70.8 Å²	70.8	54%	0.537	35%	0.349	S	S	.	.	H	α-helix	trans	-66.1	-37.9	177.5	-63.9	177.8	-176.5	0	0	111.3	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.26Å; R175-E178 IonicContact NH1-OE1 3.53Å; R175-E178 PolarHBondContact NH1-OE1 3.03Å; R175-E178 IonicContact NH1-OE2 2.76Å; R175-E178 WeakPolarHBondContact O-CB 3.22Å; R175-E178 PolarHBondContact O-N 3.11Å; E176-E178 VanDerWaalsContact C-N 3.25Å; E176-E178 PolarHBondContact O-N 3.37Å; E178-A182 WeakPolarHBondContact O-CB 3.14Å; E178-A182 PolarHBondContact O-N 2.85Å
179	Q	97.6	Very high	98.1	Very high	120 Å²	120	69.2 Å²	69.2	56%	0.561	34%	0.342	S	S	*	.	H	α-helix	trans	-68.6	-45.4	176.9	-60.7	-179.4	41.3	0	0	111.3	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.19Å; E176-Q179 VanDerWaalsContact O-N 3.13Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 2.86Å; Q179-A182 PolarHBondContact O-N 3.29Å; Q179-Y183 PolarHBondContact O-N 2.86Å
180	W	98.1	Very high	98.1	Very high	43 Å²	43	67.7 Å²	67.7	16%	0.163	34%	0.342	C	S	.	.	H	α-helix	trans	-63.7	-42.1	176.7	-80.1	102.7	0	0	0	112.1	R121 Y123 D138 L150 E176 A177 A182 Y183 L184	R121-W180 VanDerWaalsContact CZ-CZ2 3.45Å; Y123-W180 HydrophobicContact CD2-CH2 4.48Å; Y123-W180 AromaticContact CD2-CZ3 3.9Å; Y123-W180 HydrophobicContact CD2-CZ3 3.9Å; Y123-W180 HydrophobicContact CE2-CZ3 4.42Å; Y123-W180 HydrophobicContact CG-CH2 4.39Å; Y123-W180 HydrophobicContact CG-CZ3 4.02Å; D138-W180 HydrophobicContact CB-CD2 4.33Å; D138-W180 HydrophobicContact CB-CE3 4.3Å; D138-W180 PolarHBondContact OD2-NE1 3.25Å; L150-W180 HydrophobicContact CD2-CB 4.03Å; E176-W180 VanDerWaalsContact O-CD1 3.31Å; E176-W180 PolarHBondContact O-N 2.99Å; A177-W180 PolarHBondContact O-N 2.98Å; W180-A182 VanDerWaalsContact C-N 3.34Å; W180-A182 PolarHBondContact O-N 2.85Å; W180-Y183 HydrophobicContact CE3-CD1 4.02Å; W180-Y183 AromaticContact CZ3-CD1 3.85Å; W180-Y183 HydrophobicContact CZ3-CD1 3.85Å; W180-Y183 HydrophobicContact CZ3-CE1 4.19Å; W180-Y183 PolarHBondContact O-N 3.37Å; W180-L184 VanDerWaalsContact O-CB 3.3Å; W180-L184 WeakPolarHBondContact O-CB 3.36Å; W180-L184 WeakPolarHBondContact O-CG 3.45Å; W180-L184 PolarHBondContact O-N 3.17Å
181	R	98.4	Very high	98.1	Very high	76 Å²	76	64.4 Å²	64.4	29%	0.287	33%	0.326	S	S	.	.	H	α-helix	trans	-58.8	-45.3	174.6	-174.7	172.8	179.7	-141.2	-14.1	112	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.89Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; R155-R181 VanDerWaalsContact NH2-NH1 3.12Å; A177-R181 WeakPolarHBondContact O-CB 3.17Å; A177-R181 PolarHBondContact O-N 2.63Å; R181-Y183 PolarHBondContact O-N 2.85Å; R181-L184 PolarHBondContact O-N 2.9Å; R181-E185 HydrophobicContact CG-CG 4.17Å; R181-E185 IonicContact CZ-OE1 3.78Å; R181-E185 VanDerWaalsContact CZ-OE1 3.32Å; R181-E185 IonicContact CZ-OE2 3.53Å; R181-E185 IonicContact NE-OE1 3.96Å; R181-E185 PolarHBondContact NE-OE1 3.02Å; R181-E185 IonicContact NE-OE2 2.78Å; R181-E185 PolarHBondContact NE-OE2 3.41Å; R181-E185 IonicContact NH2-OE1 3.52Å; R181-E185 PolarHBondContact NH2-OE1 3.36Å; R181-E185 IonicContact NH2-OE2 3.84Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 WeakPolarHBondContact O-CG 3.36Å; R181-E185 PolarHBondContact O-N 2.6Å
182	A	98.4	Very high	98.1	Very high	67 Å²	67	61.8 Å²	61.8	55%	0.554	32%	0.316	S	S	*	.	H	α-helix	trans	-61.7	-41.7	177.2	0	0	0	0	0	112.5	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.14Å; E178-A182 PolarHBondContact O-N 2.85Å; Q179-A182 PolarHBondContact O-N 3.29Å; W180-A182 VanDerWaalsContact C-N 3.34Å; W180-A182 PolarHBondContact O-N 2.85Å; A182-G186 PolarHBondContact O-N 2.82Å
183	Y	98.2	Very high	98	Very high	39 Å²	39	63 Å²	63	15%	0.153	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-46.6	174.4	170.6	-100.3	0	0	0	112.3	Y123 Q179 W180 R181 G186 E187 C188	Y123-Y183 AromaticContact CD2-CE1 3.89Å; Y123-Y183 HydrophobicContact CD2-CE1 3.89Å; Y123-Y183 AromaticContact CE2-CE1 3.84Å; Y123-Y183 HydrophobicContact CE2-CE1 3.84Å; Q179-Y183 PolarHBondContact O-N 2.86Å; W180-Y183 HydrophobicContact CE3-CD1 4.02Å; W180-Y183 AromaticContact CZ3-CD1 3.85Å; W180-Y183 HydrophobicContact CZ3-CD1 3.85Å; W180-Y183 HydrophobicContact CZ3-CE1 4.19Å; W180-Y183 PolarHBondContact O-N 3.37Å; R181-Y183 PolarHBondContact O-N 2.85Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 3.07Å; Y183-E187 HydrophobicContact CD2-CB 3.76Å; Y183-E187 HydrophobicContact CE2-CB 3.91Å; Y183-E187 PolarHBondContact O-N 3.44Å; Y183-E187 VanDerWaalsContact O-N 3.16Å; Y183-C188 HydrophobicContact CD1-CB 4.38Å; Y183-C188 HydrophobicContact CE1-CB 3.94Å; Y183-C188 WeakPolarHBondContact O-CB 3.43Å; Y183-C188 PolarHBondContact O-N 3.37Å
184	L	98.5	Very high	97.9	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-70.8	-38.5	-175.2	-69.7	170	0	0	0	112.7	G124 L150 L154 W180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.46Å; L150-L184 HydrophobicContact CD2-CD1 3.88Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; W180-L184 VanDerWaalsContact O-CB 3.3Å; W180-L184 WeakPolarHBondContact O-CB 3.36Å; W180-L184 WeakPolarHBondContact O-CG 3.45Å; W180-L184 PolarHBondContact O-N 3.17Å; R181-L184 PolarHBondContact O-N 2.9Å; L184-V189 WeakPolarHBondContact O-CG2 3.47Å
185	E	97.8	Very high	97.9	Very high	92 Å²	92	62.3 Å²	62.3	43%	0.43	29%	0.285	S	S	.	.	H	α-helix	trans	-79.5	-21.5	176.1	-68.7	179.4	170.7	0	0	112.9	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.64Å; L154-E185 HydrophobicContact CD1-CG 4.35Å; R181-E185 HydrophobicContact CG-CG 4.17Å; R181-E185 IonicContact CZ-OE1 3.78Å; R181-E185 VanDerWaalsContact CZ-OE1 3.32Å; R181-E185 IonicContact CZ-OE2 3.53Å; R181-E185 IonicContact NE-OE1 3.96Å; R181-E185 PolarHBondContact NE-OE1 3.02Å; R181-E185 IonicContact NE-OE2 2.78Å; R181-E185 PolarHBondContact NE-OE2 3.41Å; R181-E185 IonicContact NH2-OE1 3.52Å; R181-E185 PolarHBondContact NH2-OE1 3.36Å; R181-E185 IonicContact NH2-OE2 3.84Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 WeakPolarHBondContact O-CG 3.36Å; R181-E185 PolarHBondContact O-N 2.6Å
186	G	97.8	Very high	97.7	Very high	22 Å²	22	55.4 Å²	55.4	23%	0.227	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-96.8	-177	0	0	0	0	0	113	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.82Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 3.07Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.07Å; G186-C188 VanDerWaalsContact O-N 3.16Å; G186-V189 PolarHBondContact O-N 3.34Å; G186-E190 PolarHBondContact O-N 3.45Å
187	E	97.6	Very high	97.6	Very high	96 Å²	96	58.9 Å²	58.9	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-52	-42.4	-171.2	-72.7	-173.6	-143.4	0	0	113.2	Y183 V189 E190 W191	Y183-E187 HydrophobicContact CD2-CB 3.76Å; Y183-E187 HydrophobicContact CE2-CB 3.91Å; Y183-E187 PolarHBondContact O-N 3.44Å; Y183-E187 VanDerWaalsContact O-N 3.16Å; E187-V189 PolarHBondContact O-N 3.02Å; E187-E190 PolarHBondContact O-N 3.06Å; E187-W191 WeakPolarHBondContact O-CB 3.48Å; E187-W191 PolarHBondContact O-N 3.41Å
188	C	98.3	Very high	97.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-47.6	-179.7	-170.1	0	0	0	0	111.6	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 WeakPolarHBondContact CE-O 3.43Å; M29-C188 WeakPolarHBondContact CE-SG 3.47Å; C125-C188 HydrophobicContact CB-CB 3.95Å; C125-C188 WeakPolarHBondContact CB-SG 3.35Å; C125-C188 PolarHBondContact N-SG 2.83Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.28Å; C125-C188 PolarHBondContact SG-O 3.45Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.16Å; Y183-C188 HydrophobicContact CD1-CB 4.38Å; Y183-C188 HydrophobicContact CE1-CB 3.94Å; Y183-C188 WeakPolarHBondContact O-CB 3.43Å; Y183-C188 PolarHBondContact O-N 3.37Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.07Å; G186-C188 VanDerWaalsContact O-N 3.16Å; C188-L192 WeakPolarHBondContact O-CB 3.5Å; C188-L192 PolarHBondContact O-N 3.16Å
189	V	98.1	Very high	97.4	Very high	6 Å²	6	55.5 Å²	55.5	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-43.3	178.6	172.6	0	0	0	0	110.9	L127 L133 L184 G186 E187 R193	L127-V189 HydrophobicContact CD2-CB 4.18Å; L127-V189 HydrophobicContact CD2-CG1 3.77Å; L127-V189 HydrophobicContact CD2-CG2 3.82Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 4.04Å; L184-V189 WeakPolarHBondContact O-CG2 3.47Å; G186-V189 PolarHBondContact O-N 3.34Å; E187-V189 PolarHBondContact O-N 3.02Å; V189-R193 VanDerWaalsContact CG1-CZ 3.44Å; V189-R193 WeakPolarHBondContact O-CG 3.39Å; V189-R193 PolarHBondContact O-N 3.45Å
190	E	97.9	Very high	97.1	Very high	126 Å²	126	55.1 Å²	55.1	59%	0.589	26%	0.258	S	S	*	.	H	α-helix	trans	-62.8	-46.1	179.3	-70.2	180	173.4	0	0	112.1	G186 E187 R193 R194	G186-E190 PolarHBondContact O-N 3.45Å; E187-E190 PolarHBondContact O-N 3.06Å; E190-R193 PolarHBondContact O-N 3.49Å; E190-R194 PolarHBondContact O-N 3.16Å
191	W	97.9	Very high	96.7	Very high	43 Å²	43	61.7 Å²	61.7	16%	0.163	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-43	177.8	-81.5	107.5	0	0	0	112.3	M29 Y83 E187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 3.98Å; M29-W191 HydrophobicContact SD-CB 4.3Å; Y83-W191 AromaticContact CD2-CH2 3.61Å; Y83-W191 HydrophobicContact CD2-CH2 3.61Å; Y83-W191 HydrophobicContact CD2-CZ2 4.32Å; Y83-W191 AromaticContact CD2-CZ3 3.81Å; Y83-W191 HydrophobicContact CD2-CZ3 3.81Å; Y83-W191 HydrophobicContact CE2-CE3 4.28Å; Y83-W191 AromaticContact CE2-CH2 3.97Å; Y83-W191 HydrophobicContact CE2-CH2 3.97Å; Y83-W191 AromaticContact CE2-CZ3 3.78Å; Y83-W191 HydrophobicContact CE2-CZ3 3.78Å; E187-W191 WeakPolarHBondContact O-CB 3.48Å; E187-W191 PolarHBondContact O-N 3.41Å; W191-R193 PolarHBondContact O-N 3.04Å; W191-R194 WeakPolarHBondContact O-CB 3.48Å; W191-R194 PolarHBondContact O-N 2.88Å; W191-Y195 HydrophobicContact CB-CE2 4.08Å; W191-Y195 HydrophobicContact CE3-CD1 4.47Å; W191-Y195 AromaticContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE2 4.29Å; W191-Y195 AromaticContact CE3-CZ 3.45Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.45Å; W191-Y195 AromaticContact CZ3-CE1 3.97Å; W191-Y195 HydrophobicContact CZ3-CE1 3.97Å; W191-Y195 VanDerWaalsContact O-CD2 3.29Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 2.92Å
192	L	98	Very high	96.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-45	177.1	175.3	49.9	0	0	0	111.3	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 4.03Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.22Å; M29-L192 HydrophobicContact CE-CB 4.35Å; M29-L192 HydrophobicContact SD-CB 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.28Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.28Å; L127-L192 HydrophobicContact CD1-CD2 3.72Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.19Å; C188-L192 WeakPolarHBondContact O-CB 3.5Å; C188-L192 PolarHBondContact O-N 3.16Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.07Å; L192-Y195 PolarHBondContact O-N 3.03Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 2.96Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.5Å; L192-L196 PolarHBondContact O-N 3.44Å
193	R	96.4	Very high	95.8	Very high	121 Å²	121	57.3 Å²	57.3	46%	0.457	27%	0.265	S	S	.	.	H	α-helix	trans	-59.4	-43.5	174.5	-72.4	176.2	-174.4	155	-0.8	112.4	L127 G131 V189 E190 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.93Å; G131-R193 VanDerWaalsContact O-CZ 3.31Å; G131-R193 PolarHBondContact O-NE 2.88Å; G131-R193 VanDerWaalsContact O-NE 3.11Å; G131-R193 PolarHBondContact O-NH2 3.19Å; V189-R193 VanDerWaalsContact CG1-CZ 3.44Å; V189-R193 WeakPolarHBondContact O-CG 3.39Å; V189-R193 PolarHBondContact O-N 3.45Å; E190-R193 PolarHBondContact O-N 3.49Å; W191-R193 PolarHBondContact O-N 3.04Å; R193-L196 PolarHBondContact O-N 3.36Å; R193-E197 PolarHBondContact O-N 2.97Å
194	R	96.8	Very high	95.3	Very high	122 Å²	122	59.9 Å²	59.9	46%	0.46	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-44.4	176.8	179.4	179.3	174.4	110.7	-5.5	111.5	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.79Å; E79-R194 IonicContact OE1-NE 2.93Å; E79-R194 PolarHBondContact OE1-NE 2.9Å; E79-R194 IonicContact OE1-NH2 3.32Å; E79-R194 PolarHBondContact OE1-NH2 3.24Å; E79-R194 IonicContact OE2-CZ 2.73Å; E79-R194 IonicContact OE2-NE 2.95Å; E79-R194 IonicContact OE2-NH2 3.47Å; E79-R194 PolarHBondContact OE2-NH2 3.4Å; E190-R194 PolarHBondContact O-N 3.16Å; W191-R194 WeakPolarHBondContact O-CB 3.48Å; W191-R194 PolarHBondContact O-N 2.88Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.07Å; R194-E197 PolarHBondContact O-N 3.38Å; R194-N198 WeakPolarHBondContact O-CB 3.32Å; R194-N198 PolarHBondContact O-N 3.5Å; R194-N198 PolarHBondContact O-OD1 3.4Å
195	Y	97.1	Very high	94.8	Very high	1 Å²	1	64.2 Å²	64.2	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-67.5	-38.8	178.6	-62	-30.5	0	0	0	112.7	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å; V52-Y195 HydrophobicContact CG2-CD2 3.87Å; V52-Y195 HydrophobicContact CG2-CG 4.38Å; F57-Y195 AromaticContact CE2-CE2 3.8Å; F57-Y195 HydrophobicContact CE2-CE2 3.8Å; F57-Y195 AromaticContact CE2-CZ 3.99Å; F57-Y195 HydrophobicContact CZ-CD2 4.4Å; F57-Y195 AromaticContact CZ-CE2 3.8Å; F57-Y195 HydrophobicContact CZ-CE2 3.8Å; W75-Y195 HydrophobicContact CE3-CD1 4.25Å; W75-Y195 HydrophobicContact CE3-CG 4.46Å; W75-Y195 HydrophobicContact CH2-CD2 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.12Å; W75-Y195 AromaticContact CZ3-CD1 3.6Å; W75-Y195 HydrophobicContact CZ3-CD1 3.6Å; W75-Y195 HydrophobicContact CZ3-CD2 4.26Å; W75-Y195 HydrophobicContact CZ3-CE1 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.56Å; W75-Y195 HydrophobicContact CZ3-CG 3.56Å; V76-Y195 HydrophobicContact CG2-CE1 4.38Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.23Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.47Å; Y83-Y195 PolarHBondContact OH-OH 2.79Å; W191-Y195 HydrophobicContact CB-CE2 4.08Å; W191-Y195 HydrophobicContact CE3-CD1 4.47Å; W191-Y195 AromaticContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE2 4.29Å; W191-Y195 AromaticContact CE3-CZ 3.45Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.45Å; W191-Y195 AromaticContact CZ3-CE1 3.97Å; W191-Y195 HydrophobicContact CZ3-CE1 3.97Å; W191-Y195 VanDerWaalsContact O-CD2 3.29Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 2.92Å; L192-Y195 PolarHBondContact O-N 3.03Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.16Å; Y195-N198 PolarHBondContact O-N 3.11Å; Y195-G199 WeakPolarHBondContact O-CA 3.39Å; Y195-G199 PolarHBondContact O-N 3.06Å; Y195-L203 WeakPolarHBondContact O-CD1 3.45Å
196	L	95.4	Very high	94.5	Very high	14 Å²	14	61.6 Å²	61.6	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-36	174.6	-71.3	169.4	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.38Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 2.96Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.5Å; L192-L196 PolarHBondContact O-N 3.44Å; R193-L196 PolarHBondContact O-N 3.36Å; L196-K200 WeakPolarHBondContact O-CA 3.4Å; L196-K200 WeakPolarHBondContact O-CB 3.35Å; L196-K200 PolarHBondContact O-N 3.06Å; L196-K200 VanDerWaalsContact O-N 3.11Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 PolarHBondContact O-NE2 3.13Å
197	E	95.3	Very high	94.2	Very high	126 Å²	126	63.5 Å²	63.5	59%	0.589	29%	0.292	S	S	*	.	H	α-helix	trans	-72	-47.9	174.5	-171	60.4	-151	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.97Å; R194-E197 PolarHBondContact O-N 3.38Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.16Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.24Å; E197-K200 WeakPolarHBondContact O-CB 3.35Å; E197-K200 PolarHBondContact O-N 3.15Å
198	N	96.2	Very high	94.1	Very high	49 Å²	49	63.8 Å²	63.8	26%	0.262	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-40	178.9	-70.1	-5.7	0	0	0	112.6	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.39Å; Q78-N198 VanDerWaalsContact NE2-CB 3.28Å; Q78-N198 PolarHBondContact NE2-ND2 2.81Å; Q78-N198 PolarHBondContact NE2-OD1 2.85Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.15Å; E79-N198 PolarHBondContact OE1-ND2 2.85Å; R194-N198 WeakPolarHBondContact O-CB 3.32Å; R194-N198 PolarHBondContact O-N 3.5Å; R194-N198 PolarHBondContact O-OD1 3.4Å; Y195-N198 PolarHBondContact O-N 3.11Å
199	G	94.9	Very high	94.1	Very high	3 Å²	3	64.2 Å²	64.2	3%	0.031	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	18.6	-175.6	0	0	0	0	0	113.7	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.39Å; Y195-G199 PolarHBondContact O-N 3.06Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.24Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 3.04Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.48Å; G199-T202 PolarHBondContact O-N 3.29Å; G199-T202 PolarHBondContact O-OG1 3.21Å; G199-L203 WeakPolarHBondContact O-CB 3.34Å; G199-L203 PolarHBondContact O-N 3.3Å
200	K	92.2	Very high	94	Very high	111 Å²	111	71.3 Å²	71.3	48%	0.483	33%	0.326	S	S	.	.	H	α-helix	trans	-49.2	-44.8	-171.6	-177.5	172.7	-174.5	172.8	0	113.9	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.4Å; L196-K200 WeakPolarHBondContact O-CB 3.35Å; L196-K200 PolarHBondContact O-N 3.06Å; L196-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact O-CB 3.35Å; E197-K200 PolarHBondContact O-N 3.15Å; K200-T202 PolarHBondContact O-N 3.44Å; K200-Q204 HydrophobicContact CG-CB 4.5Å; K200-Q204 WeakPolarHBondContact O-CB 3.12Å; K200-Q204 PolarHBondContact O-N 3.05Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
201	E	89.3	Confident	94	Very high	181 Å²	181	66.9 Å²	66.9	85%	0.846	31%	0.308	S	S	*	.	H	α-helix	trans	-63.6	-25.4	179.6	-63.1	-175	167.4	0	0	113.4	G199 R205	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 3.04Å; G199-E201 VanDerWaalsContact O-N 3.16Å; E201-R205 WeakPolarHBondContact O-CD 3.46Å
202	T	88.6	Confident	94	Very high	47 Å²	47	68.8 Å²	68.8	29%	0.288	32%	0.318	S	S	.	.	H	α-helix	trans	-105.9	-32.5	-175.9	53.5	0	0	0	0	114.7	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.23Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.48Å; G199-T202 PolarHBondContact O-N 3.29Å; G199-T202 PolarHBondContact O-OG1 3.21Å; K200-T202 PolarHBondContact O-N 3.44Å; T202-R205 WeakPolarHBondContact O-CG 3.2Å; T202-R205 PolarHBondContact O-NE 2.84Å; T202-R205 VanDerWaalsContact O-NE 3.09Å
203	L	89.9	Confident	94	Very high	5 Å²	5	69.9 Å²	69.9	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-97.1	-28.5	-173.5	-64.8	172.3	0	0	0	112.3	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.19Å; V52-L203 HydrophobicContact CG1-CD1 3.85Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; T55-L203 HydrophobicContact CG2-CD2 4.17Å; W75-L203 HydrophobicContact CD2-CD1 4.46Å; W75-L203 HydrophobicContact CH2-CD1 4.44Å; W75-L203 HydrophobicContact CZ2-CD1 3.88Å; W75-L203 HydrophobicContact CZ2-CD2 4.21Å; W75-L203 HydrophobicContact CZ2-CG 4.46Å; Y195-L203 WeakPolarHBondContact O-CD1 3.45Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 WeakPolarHBondContact O-CB 3.34Å; G199-L203 PolarHBondContact O-N 3.3Å
204	Q	87.1	Confident	94	Very high	93 Å²	93	65.7 Å²	65.7	44%	0.435	31%	0.313	S	S	.	.	S	Bend	trans	-103	22.6	177.7	-57.6	178.3	30.6	0	0	111.6	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.13Å; K200-Q204 HydrophobicContact CG-CB 4.5Å; K200-Q204 WeakPolarHBondContact O-CB 3.12Å; K200-Q204 PolarHBondContact O-N 3.05Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
205	R	87.8	Confident	94	Very high	91 Å²	91	62.4 Å²	62.4	34%	0.343	30%	0.302	S	S	.	.			trans	-97.6	146.3	171.1	72.7	-174.5	170.2	153.1	11.6	109	E201 T202 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.46Å; T202-R205 WeakPolarHBondContact O-CG 3.2Å; T202-R205 PolarHBondContact O-NE 2.84Å; T202-R205 VanDerWaalsContact O-NE 3.09Å; R205-E207 IonicContact CZ-OE1 2.66Å; R205-E207 IonicContact NE-OE1 3.04Å; R205-E207 IonicContact NH1-OE1 3.5Å; R205-E207 PolarHBondContact NH1-OE1 3.26Å; R205-E207 IonicContact NH2-OE1 3.95Å; R205-E207 PolarHBondContact NH2-OE1 2.7Å; R205-Y233 HydrophobicContact CG-CD1 4.3Å; R205-Y233 VanDerWaalsContact O-CD1 3.29Å; R205-Y233 WeakPolarHBondContact O-CD1 3.24Å
206	A	91.1	Very high	93.9	Very high	37 Å²	37	66 Å²	66	31%	0.306	32%	0.319	S	S	.	.			trans	-116.4	121.6	164.8	0	0	0	0	0	108.5	Y233	A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 WeakPolarHBondContact CA-O 3.48Å
207	E	93.1	Very high	93.8	Very high	62 Å²	62	70 Å²	70	29%	0.29	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-96.5	119	173.3	-67.2	-169	-152.3	0	0	108.7	R205 F232 Y233 T264 H287	R205-E207 IonicContact CZ-OE1 2.66Å; R205-E207 IonicContact NE-OE1 3.04Å; R205-E207 IonicContact NH1-OE1 3.5Å; R205-E207 PolarHBondContact NH1-OE1 3.26Å; R205-E207 IonicContact NH2-OE1 3.95Å; R205-E207 PolarHBondContact NH2-OE1 2.7Å; E207-F232 WeakPolarHBondContact O-CA 3.43Å; E207-F232 WeakPolarHBondContact O-CB 3.49Å; E207-Y233 PolarHBondContact N-O 3.09Å; E207-Y233 PolarHBondContact O-N 2.85Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; E207-T264 WeakPolarHBondContact OE2-CG2 3.29Å; E207-H287 PolarHBondContact O-CE1 3.22Å
208	H	94.7	Very high	93.6	Very high	102 Å²	102	68.6 Å²	68.6	47%	0.472	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-68.5	144.5	-178.8	-51.4	-101.8	0	0	0	111.8	K210 G289 L290	H208-K210 PolarHBondContact O-N 3.11Å; H208-G289 PolarHBondContact CE1-O 3.25Å; H208-G289 PolarHBondContact ND1-O 3.19Å; H208-L290 HydrophobicContact CB-CD2 4.07Å; H208-L290 PolarHBondContact ND1-N 2.94Å
209	P	97.4	Very high	93.4	Very high	9 Å²	9	68.7 Å²	68.7	6%	0.058	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.5	131.5	176.5	28.3	-34.8	0	0	0	111.7	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 2.92Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.97Å; P209-F232 HydrophobicContact CB-CG 4.21Å; P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; P209-V285 HydrophobicContact CG-CG1 3.96Å; P209-H287 HydrophobicContact CG-CB 4.08Å; P209-L290 HydrophobicContact CG-CD1 3.82Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.19Å
210	K	97.7	Very high	93.1	Very high	154 Å²	154	75.7 Å²	75.7	67%	0.67	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	109.7	163.8	-65.4	171.4	-172.9	164.6	0	108	H208 L230	H208-K210 PolarHBondContact O-N 3.11Å; K210-L230 PolarHBondContact N-O 2.83Å; K210-L230 PolarHBondContact O-N 2.83Å
211	T	97.8	Very high	93.1	Very high	33 Å²	33	77.2 Å²	77.2	20%	0.202	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.9	-171.6	59.2	0	0	0	0	113.3	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 2.92Å; T211-W228 WeakPolarHBondContact CA-O 3.35Å; T211-W228 WeakPolarHBondContact CB-O 3.18Å; T211-A229 HydrophobicContact CG2-CB 4.3Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; T211-L294 HydrophobicContact CG2-CD1 4.36Å; T211-L296 VanDerWaalsContact CB-CD1 3.4Å; T211-L296 HydrophobicContact CG2-CD1 4.13Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.48Å
212	H	97.1	Very high	93.4	Very high	83 Å²	83	73 Å²	73	38%	0.384	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	160.7	171.9	62.4	-76.5	0	0	0	110.6	W228	H212-W228 VanDerWaalsContact CE1-CB 3.45Å; H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CG 3.74Å; H212-W228 PolarHBondContact N-O 2.77Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.95Å
213	V	98.1	Very high	93.8	Very high	23 Å²	23	70.8 Å²	70.8	14%	0.139	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.3	176.6	-179.5	0	0	0	0	109.5	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.33Å; V213-L225 HydrophobicContact CG1-CD2 4.36Å; V213-R226 CarbonylContact C-O 3.52Å; V213-R226 WeakPolarHBondContact CA-O 3.48Å; V213-C227 HydrophobicContact CG2-CB 4.44Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.3Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; V213-L296 HydrophobicContact CG2-CB 3.94Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.85Å
214	T	96.8	Very high	94.1	Very high	34 Å²	34	71.7 Å²	71.7	21%	0.209	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	147.9	171.7	63.4	0	0	0	0	110.7	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 3.01Å; T214-L225 WeakPolarHBondContact O-CA 3.45Å; T214-R226 PolarHBondContact N-O 3.34Å; T214-R226 PolarHBondContact O-N 3.07Å; T214-W228 PolarHBondContact OG1-NE1 3.12Å
215	H	96	Very high	94.6	Very high	52 Å²	52	67.2 Å²	67.2	24%	0.241	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.8	179	170.1	-93.7	0	0	0	109.6	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.48Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 2.95Å; H215-W298 HydrophobicContact CB-CD2 4.12Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4.04Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.8Å; H215-W298 AromaticContact CG-CZ2 3.83Å; H215-W298 AromaticContact ND1-CZ2 3.99Å
216	H	94.9	Very high	95.1	Very high	77 Å²	77	65.4 Å²	65.4	36%	0.356	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	103.2	-178.7	-57	-69.4	0	0	0	109.3	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 3.01Å; H216-V218 PolarHBondContact O-N 3.37Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.47Å; H216-T224 PolarHBondContact N-O 2.91Å; H216-T224 PolarHBondContact O-N 3.37Å; H216-R226 PolarHBondContact CD2-NH1 2.92Å; H216-R226 PolarHBondContact NE2-NH1 2.85Å; H216-R226 VanDerWaalsContact NE2-NH1 3.19Å
217	P	93.7	Very high	95.5	Very high	98 Å²	98	63.7 Å²	63.7	64%	0.636	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	130.8	173.6	-19.8	30.1	0	0	0	110.5
218	V	90.8	Very high	95.7	Very high	96 Å²	96	63 Å²	63	58%	0.582	32%	0.321	S	S	*	.			trans	-104.4	-41.5	176.4	-179	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.37Å; V218-E222 PolarHBondContact N-O 2.92Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.22Å
219	S	91.9	Very high	95.9	Very high	52 Å²	52	58.1 Å²	58.1	36%	0.364	30%	0.298	S	S	.	.	S	Bend	trans	-147.6	-178.5	174.9	72.6	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 3.47Å; S219-H221 PolarHBondContact OG-N 3.07Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; S219-E222 PolarHBondContact N-O 3.03Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 2.86Å
220	D	89.4	Confident	95.9	Very high	149 Å²	149	60.2 Å²	60.2	80%	0.797	31%	0.309	S	S	*	.	S	Bend	trans	-63.5	-19.9	172.5	-65.9	-22.5	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 3.31Å
221	H	92.9	Very high	95.9	Very high	143 Å²	143	53.8 Å²	53.8	66%	0.662	29%	0.286	S	S	*	.	S	Bend	trans	-106	-16.2	-174.3	-54.6	-49.5	0	0	0	113.9	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.47Å; S219-H221 PolarHBondContact OG-N 3.07Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.46Å; H221-S275 PolarHBondContact O-N 2.95Å; H221-S275 PolarHBondContact O-OG 3.47Å
222	E	95.1	Very high	95.8	Very high	93 Å²	93	52.2 Å²	52.2	44%	0.435	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.9	-171.2	-66.1	179.3	170.5	0	0	112.4	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.92Å; S219-E222 PolarHBondContact N-O 3.03Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 2.86Å; E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; E222-V273 WeakPolarHBondContact CA-O 3.38Å; E222-S275 PolarHBondContact N-OG 2.82Å
223	A	95.8	Very high	95.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156.2	170.9	0	0	0	0	0	110.8	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.48Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.47Å; A223-V272 WeakPolarHBondContact O-CA 3.23Å; A223-V273 HydrophobicContact CB-CG2 4.43Å; A223-V273 PolarHBondContact N-O 2.81Å; A223-V273 WeakPolarHBondContact O-CG2 3.45Å; A223-V273 PolarHBondContact O-N 3.09Å
224	T	97.4	Very high	95.4	Very high	23 Å²	23	48.1 Å²	48.1	14%	0.141	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.9	169.7	-54.8	0	0	0	0	109.4	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 2.91Å; H216-T224 PolarHBondContact O-N 3.37Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.22Å; T224-A270 HydrophobicContact CG2-CB 3.91Å; T224-V271 WeakPolarHBondContact CA-O 3.42Å
225	L	98	Very high	95.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.3	165	-63.4	-176.8	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.33Å; V213-L225 HydrophobicContact CG1-CD2 4.36Å; T214-L225 WeakPolarHBondContact O-CA 3.45Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; L225-A270 CarbonylContact O-C 3.5Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.07Å; L225-V271 PolarHBondContact O-N 3.41Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.13Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; L225-W298 HydrophobicContact CD1-CB 4.46Å; L225-W298 HydrophobicContact CD2-CB 3.86Å; L225-W298 HydrophobicContact CD2-CD2 4.41Å; L225-W298 HydrophobicContact CD2-CG 3.99Å
226	R	98.3	Very high	95.2	Very high	53 Å²	53	52.4 Å²	52.4	20%	0.2	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	117.5	176.2	-176.2	178.6	-66.3	115.8	0.3	110.3	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.52Å; V213-R226 WeakPolarHBondContact CA-O 3.48Å; T214-R226 PolarHBondContact N-O 3.34Å; T214-R226 PolarHBondContact O-N 3.07Å; H216-R226 PolarHBondContact CD2-NH1 2.92Å; H216-R226 PolarHBondContact NE2-NH1 2.85Å; H216-R226 VanDerWaalsContact NE2-NH1 3.19Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.18Å; R226-A269 WeakPolarHBondContact CA-O 3.49Å; R226-A270 HydrophobicContact CB-CB 4.1Å; R226-A270 HydrophobicContact CG-CB 4.17Å
227	C	98.3	Very high	95.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.8	174.5	-173.4	0	0	0	0	109.4	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.44Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.57Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 WeakPolarHBondContact O-CB 3.49Å; C227-A269 PolarHBondContact N-O 3.06Å; C227-A269 PolarHBondContact O-N 2.71Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.43Å; C227-C283 WeakPolarHBondContact SG-CB 3.46Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.34Å
228	W	98.4	Very high	95.3	Very high	47 Å²	47	47.3 Å²	47.3	18%	0.178	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	141.2	179.5	-70	89.6	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.35Å; T211-W228 WeakPolarHBondContact CB-O 3.18Å; H212-W228 VanDerWaalsContact CE1-CB 3.45Å; H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CG 3.74Å; H212-W228 PolarHBondContact N-O 2.77Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.95Å; T214-W228 PolarHBondContact OG1-NE1 3.12Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.9Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å
229	A	98.4	Very high	95.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.9	162.5	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.3Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.87Å; A229-F232 WeakPolarHBondContact O-CE1 3.49Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; A229-L239 HydrophobicContact CB-CD1 4Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; A229-Q266 CarbonylContact O-C 3.57Å; A229-Q266 VanDerWaalsContact O-CA 3.27Å; A229-Q266 WeakPolarHBondContact O-CA 3.34Å; A229-K267 PolarHBondContact N-O 3.42Å; A229-K267 PolarHBondContact O-N 2.87Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.1	Very high	95.9	Very high	54 Å²	54	42.3 Å²	42.3	28%	0.283	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.8	-174.8	-57.7	177.1	0	0	0	110.9	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.83Å; K210-L230 PolarHBondContact O-N 2.83Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; L230-F232 PolarHBondContact O-N 2.72Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å
231	G	96.7	Very high	96.4	Very high	18 Å²	18	35.4 Å²	35.4	19%	0.186	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69	33.8	168.4	0	0	0	0	0	113.7	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.18Å; G231-F265 PolarHBondContact N-O 2.79Å
232	F	96.3	Very high	96.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	155.5	179.3	60.6	-90.7	0	0	0	112.4	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.43Å; E207-F232 WeakPolarHBondContact O-CB 3.49Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.97Å; P209-F232 HydrophobicContact CB-CG 4.21Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.87Å; A229-F232 WeakPolarHBondContact O-CE1 3.49Å; L230-F232 PolarHBondContact O-N 2.72Å; F232-P234 WeakPolarHBondContact CD2-O 3.35Å; F232-I237 HydrophobicContact CD1-CD1 3.86Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CD2-CG2 4.5Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.39Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.97Å; F232-I237 HydrophobicContact CE2-CG1 4.45Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.88Å; F232-I237 HydrophobicContact CZ-CG2 3.5Å; F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.8Å; F232-T264 WeakPolarHBondContact O-CA 3.41Å; F232-F265 WeakPolarHBondContact CD1-O 3.36Å; F232-F265 HydrophobicContact CD2-CB 3.94Å; F232-F265 HydrophobicContact CE1-CB 4.25Å; F232-F265 WeakPolarHBondContact CE1-O 3.23Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.46Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 2.96Å; F232-F265 PolarHBondContact O-N 3.43Å; F232-K267 HydrophobicContact CE1-CB 4.35Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.76Å; F232-H287 AromaticContact CD2-NE2 3.68Å
233	Y	94	Very high	96.7	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.012	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-152.3	135.6	173.9	177.2	-83.8	0	0	0	108.4	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.05Å; T55-Y233 PolarHBondContact OG1-OH 2.92Å; T55-Y233 VanDerWaalsContact OG1-OH 3.13Å; R205-Y233 HydrophobicContact CG-CD1 4.3Å; R205-Y233 VanDerWaalsContact O-CD1 3.29Å; R205-Y233 WeakPolarHBondContact O-CD1 3.24Å; A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 WeakPolarHBondContact CA-O 3.48Å; E207-Y233 PolarHBondContact N-O 3.09Å; E207-Y233 PolarHBondContact O-N 2.85Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; Y233-G263 WeakPolarHBondContact CD2-O 3.02Å; Y233-F265 HydrophobicContact CD2-CD2 4.5Å; Y233-F265 HydrophobicContact CD2-CE2 4.02Å; Y233-H287 PolarHBondContact O-CE1 3.32Å
234	P	92.9	Very high	96.7	Very high	18 Å²	18	34.3 Å²	34.3	12%	0.117	18%	0.175	C	C	.	.	S	Bend	cis	-73.9	-177.5	4	31.5	-36.9	0	0	0	113.4	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.36Å; F232-P234 WeakPolarHBondContact CD2-O 3.35Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.36Å; P234-H287 PolarHBondContact O-NE2 3.03Å
235	T	93.5	Very high	96.4	Very high	35 Å²	35	35.5 Å²	35.5	22%	0.215	19%	0.192	C	C	.	.	S	Bend	trans	-70.5	-24.3	-174.5	-148.7	0	0	0	0	113.8	D54 I237 T257 F265	D54-T235 WeakPolarHBondContact OD1-CG2 3.34Å; D54-T235 WeakPolarHBondContact OD2-CB 3.34Å; D54-T235 WeakPolarHBondContact OD2-CG2 3.16Å; D54-T235 PolarHBondContact OD2-N 2.84Å; T235-I237 PolarHBondContact O-N 2.86Å; T235-T257 VanDerWaalsContact OG1-CG2 3.3Å; T235-T257 WeakPolarHBondContact OG1-CG2 3.49Å; T235-F265 WeakPolarHBondContact OG1-CD1 3.43Å; T235-F265 VanDerWaalsContact OG1-CE1 3.26Å; T235-F265 WeakPolarHBondContact OG1-CE1 3.31Å; T235-F265 WeakPolarHBondContact OG1-CG 3.31Å
236	E	93.9	Very high	96.3	Very high	141 Å²	141	42.5 Å²	42.5	66%	0.659	23%	0.225	S	C	*	.			trans	-68.3	113.5	-177.9	-170.4	57.8	-138.3	0	0	110.3	P234 H287	P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.36Å; E236-H287 PolarHBondContact O-CD2 2.77Å
237	I	95.5	Very high	96.2	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	140	-178.6	-165.5	168.6	0	0	0	109.7	P209 A229 F232 T235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; F232-I237 HydrophobicContact CD1-CD1 3.86Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CD2-CG2 4.5Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.39Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.97Å; F232-I237 HydrophobicContact CE2-CG1 4.45Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.88Å; F232-I237 HydrophobicContact CZ-CG2 3.5Å; T235-I237 PolarHBondContact O-N 2.86Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.59Å; I237-L239 HydrophobicContact CG2-CD1 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; I237-H287 HydrophobicContact CD1-CB 4.16Å; I237-H287 HydrophobicContact CG1-CB 3.97Å
238	T	96.8	Very high	96	Very high	57 Å²	57	45.9 Å²	45.9	35%	0.35	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.5	174.2	-63.1	0	0	0	0	110	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 3.98Å; T238-V285 WeakPolarHBondContact O-CA 3.32Å; T238-Q286 PolarHBondContact N-O 3.37Å; T238-Q286 PolarHBondContact O-N 3.34Å
239	L	97.6	Very high	95.5	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.7	172.3	-88	63.3	0	0	0	108.4	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.59Å; I237-L239 HydrophobicContact CG2-CD1 4.14Å; L239-L254 HydrophobicContact CB-CD1 4.16Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.33Å
240	T	97.4	Very high	95.1	Very high	38 Å²	38	57.9 Å²	57.9	23%	0.233	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.6	178.9	49.5	0	0	0	0	110.8	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 3.98Å; T240-C283 CarbonylContact O-C 3.6Å; T240-C283 WeakPolarHBondContact O-CA 3.44Å; T240-H284 PolarHBondContact N-O 2.84Å; T240-H284 PolarHBondContact O-N 2.83Å; T240-H284 WeakPolarHBondContact OG1-CB 3.48Å
241	W	98.1	Very high	94.5	Very high	3 Å²	3	60.9 Å²	60.9	1%	0.011	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.3	170.2	-83.2	104.1	0	0	0	109.8	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.3Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 2.82Å; W241-A269 PolarHBondContact NE1-O 2.81Å; W241-V271 HydrophobicContact CB-CG1 3.67Å; W241-V271 HydrophobicContact CB-CG2 4.42Å; W241-V271 HydrophobicContact CD2-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CG2 3.59Å; W241-V271 HydrophobicContact CE3-CG2 3.99Å; W241-V271 HydrophobicContact CG-CB 4.36Å; W241-V271 HydrophobicContact CG-CG1 3.6Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; W241-V271 HydrophobicContact CZ3-CG2 4.48Å; W241-T282 WeakPolarHBondContact CA-O 3.32Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.01Å
242	Q	97.9	Very high	94.4	Very high	42 Å²	42	61.2 Å²	61.2	20%	0.196	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.1	172	-69.7	-173.6	-5.8	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.38Å; Q242-D247 PolarHBondContact NE2-OD1 2.98Å; Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.41Å; Q242-T282 PolarHBondContact N-O 3.14Å; Q242-T282 PolarHBondContact O-N 3.34Å; Q242-H284 PolarHBondContact OE1-NE2 2.63Å
243	R	97.3	Very high	94.4	Very high	71 Å²	71	66.8 Å²	66.8	27%	0.268	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.3	168.4	-176	-172.2	-175.5	179.5	0.1	108	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.21Å; R243-E246 PolarHBondContact N-O 3.44Å; R243-E246 PolarHBondContact O-N 3.23Å; R243-Q248 HydrophobicContact CB-CG 4Å; R243-E277 IonicContact CZ-OE2 3.5Å; R243-E277 IonicContact NE-OE2 3.38Å; R243-E277 IonicContact NH2-OE1 3.68Å; R243-E277 IonicContact NH2-OE2 2.7Å; R243-E277 PolarHBondContact NH2-OE2 3.42Å; R243-R280 WeakPolarHBondContact CA-O 3.29Å; R243-R280 HydrophobicContact CG-CB 4.41Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.39Å; R243-Y281 HydrophobicContact CG-CD1 4.46Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.07Å
244	D	95.4	Very high	94.6	Very high	101 Å²	101	70.8 Å²	70.8	54%	0.54	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	29.6	-175.5	-52.9	-51.5	0	0	0	114.3	R280	D244-R280 PolarHBondContact N-O 3.14Å; D244-R280 IonicContact OD1-NE 3.77Å; D244-R280 PolarHBondContact OD1-NE 2.8Å; D244-R280 IonicContact OD2-CZ 2.71Å; D244-R280 IonicContact OD2-NE 3.29Å; D244-R280 PolarHBondContact OD2-NE 3.36Å; D244-R280 IonicContact OD2-NH2 3.99Å; D244-R280 PolarHBondContact OD2-NH2 2.84Å
245	G	91.9	Very high	94.7	Very high	49 Å²	49	71.5 Å²	71.5	51%	0.505	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-0.3	-177.8	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3.21Å
246	E	95.6	Very high	94.9	Very high	147 Å²	147	78 Å²	78	69%	0.687	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.7	176	-63.1	-172.8	168.9	0	0	111.9	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; R243-E246 PolarHBondContact N-O 3.44Å; R243-E246 PolarHBondContact O-N 3.23Å; E246-Q248 PolarHBondContact O-NE2 3.26Å
247	D	95.3	Very high	95	Very high	97 Å²	97	73.3 Å²	73.3	52%	0.519	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	135	-179.3	-68.4	-23.9	0	0	0	112.5	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.38Å; Q242-D247 PolarHBondContact NE2-OD1 2.98Å
248	Q	94.9	Very high	95	Very high	27 Å²	27	77.2 Å²	77.2	13%	0.126	40%	0.4	C	S	.	.			trans	-105.6	36.3	-177.3	-57.7	-60.3	-67.6	0	0	112.3	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 2.82Å; R243-Q248 HydrophobicContact CB-CG 4Å; E246-Q248 PolarHBondContact O-NE2 3.26Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.27Å; Q248-D251 PolarHBondContact O-N 3.04Å; Q248-T252 WeakPolarHBondContact O-CB 3.21Å; Q248-T252 PolarHBondContact O-N 2.78Å; Q248-T252 PolarHBondContact O-OG1 2.91Å; Q248-V271 HydrophobicContact CB-CG1 4.43Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å
249	T	88.4	Confident	95	Very high	108 Å²	108	79 Å²	79	66%	0.663	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-36	-169.1	-46.1	0	0	0	0	114.1
250	Q	88.5	Confident	94.9	Very high	191 Å²	191	81 Å²	81	89%	0.893	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-30.9	-178.4	-65.6	-174.9	6.5	0	0	113.1	Q248	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.27Å
251	D	87.1	Confident	94.6	Very high	117 Å²	117	82.9 Å²	82.9	63%	0.626	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	0.8	-177.9	-58	-49.9	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 3.04Å
252	T	94.7	Very high	94.3	Very high	24 Å²	24	88.2 Å²	88.2	15%	0.147	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.8	179.3	-61.9	0	0	0	0	110.8	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.21Å; Q248-T252 PolarHBondContact O-N 2.78Å; Q248-T252 PolarHBondContact O-OG1 2.91Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.27Å; T252-A269 HydrophobicContact CG2-CB 3.89Å; T252-A270 CarbonylContact C-O 3.42Å; T252-A270 WeakPolarHBondContact CA-O 3.29Å; T252-V271 HydrophobicContact CG2-CG1 4.34Å; T252-V271 VanDerWaalsContact OG1-CG1 3.24Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.26Å
253	E	96.6	Very high	93.8	Very high	117 Å²	117	88.2 Å²	88.2	55%	0.547	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	106.3	163	-173.4	-174.4	-173	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.35Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.47Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.4Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.15Å; E253-A270 PolarHBondContact O-N 2.9Å
254	L	96.6	Very high	93.7	Very high	88 Å²	88	85.2 Å²	85.2	46%	0.461	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.9	178.2	-173.7	68.8	0	0	0	110	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.16Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.27Å; L254-K267 HydrophobicContact CD1-CD 4.45Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
255	V	96.4	Very high	93.8	Very high	32 Å²	32	81.5 Å²	81.5	19%	0.194	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-84.7	153.4	174.7	-64.7	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 WeakPolarHBondContact O-CE 3.42Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 2.87Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.5Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.41Å; V255-W268 WeakPolarHBondContact CG2-O 3.2Å; V255-W268 PolarHBondContact N-O 2.89Å
256	E	96	Very high	94.1	Very high	173 Å²	173	81.3 Å²	81.3	81%	0.808	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-57.6	146.5	166.8	-68.1	-176.1	173	0	0	110.9	R258	E256-R258 PolarHBondContact O-N 2.67Å
257	T	97.1	Very high	94.2	Very high	41 Å²	41	75.4 Å²	75.4	25%	0.252	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-67.1	131	174.9	-55.4	0	0	0	0	108.5	F232 T235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.8Å; T235-T257 VanDerWaalsContact OG1-CG2 3.3Å; T235-T257 WeakPolarHBondContact OG1-CG2 3.49Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 4Å; T257-F265 HydrophobicContact CG2-CG 4.14Å; T257-K267 WeakPolarHBondContact OG1-CD 3.46Å; T257-K267 PolarHBondContact OG1-NZ 2.85Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
258	R	96.4	Very high	94.4	Very high	92 Å²	92	71.9 Å²	71.9	35%	0.347	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.4	-173.9	69.3	-166.7	-178.5	-166.5	1.9	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.67Å; R258-F265 WeakPolarHBondContact O-CA 3.33Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.07Å; R258-Q266 WeakPolarHBondContact O-CG 3.4Å; R258-Q266 PolarHBondContact O-N 3.13Å
259	P	96.2	Very high	94.5	Very high	95 Å²	95	70.6 Å²	70.6	62%	0.617	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	144.6	178.6	28.4	-34.5	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.35Å
260	A	95.3	Very high	95	Very high	49 Å²	49	65.6 Å²	65.6	41%	0.405	37%	0.366	S	S	.	.			trans	-87.5	-19.2	172	0	0	0	0	0	112.8	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.48Å; A260-T264 WeakPolarHBondContact CB-O 3.47Å; A260-T264 PolarHBondContact N-O 2.78Å
261	G	91.5	Very high	95.4	Very high	76 Å²	76	56.7 Å²	56.7	78%	0.784	33%	0.325	S	S	*	.	S	Bend	trans	96.9	-7.2	178.5	0	0	0	0	0	114.9
262	D	90.7	Very high	95.9	Very high	115 Å²	115	54.9 Å²	54.9	62%	0.615	32%	0.318	S	S	*	.	S	Bend	trans	-103.9	11.4	175.6	60.4	1.6	0	0	0	113.1	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.48Å; D262-T264 WeakPolarHBondContact OD1-CB 3.24Å; D262-T264 PolarHBondContact OD1-N 3.45Å; D262-T264 PolarHBondContact OD1-OG1 2.91Å
263	G	89	Confident	96	Very high	42 Å²	42	53.8 Å²	53.8	43%	0.433	31%	0.312	S	S	.	.	S	Bend	trans	91.6	-3.9	-174	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.02Å
264	T	95	Very high	96	Very high	8 Å²	8	50.4 Å²	50.4	5%	0.049	30%	0.3	C	S	.	.			trans	-103.2	173.1	174.8	73.8	0	0	0	0	112.5	E207 G231 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 3.29Å; G231-T264 WeakPolarHBondContact CA-OG1 3.18Å; F232-T264 WeakPolarHBondContact O-CA 3.41Å; A260-T264 WeakPolarHBondContact CB-O 3.47Å; A260-T264 PolarHBondContact N-O 2.78Å; D262-T264 WeakPolarHBondContact OD1-CB 3.24Å; D262-T264 PolarHBondContact OD1-N 3.45Å; D262-T264 PolarHBondContact OD1-OG1 2.91Å
265	F	97.1	Very high	95.8	Very high	24 Å²	24	48.8 Å²	48.8	11%	0.105	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	163.4	-177.5	-63.6	-84.4	0	0	0	112.6	D54 G231 F232 Y233 T235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.72Å; G231-F265 PolarHBondContact N-O 2.79Å; F232-F265 WeakPolarHBondContact CD1-O 3.36Å; F232-F265 HydrophobicContact CD2-CB 3.94Å; F232-F265 HydrophobicContact CE1-CB 4.25Å; F232-F265 WeakPolarHBondContact CE1-O 3.23Å; F232-F265 HydrophobicContact CE2-CB 3.48Å; F232-F265 VanDerWaalsContact CE2-CB 3.48Å; F232-F265 HydrophobicContact CE2-CG 4.46Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 2.96Å; F232-F265 PolarHBondContact O-N 3.43Å; Y233-F265 HydrophobicContact CD2-CD2 4.5Å; Y233-F265 HydrophobicContact CD2-CE2 4.02Å; T235-F265 WeakPolarHBondContact OG1-CD1 3.43Å; T235-F265 VanDerWaalsContact OG1-CE1 3.26Å; T235-F265 WeakPolarHBondContact OG1-CE1 3.31Å; T235-F265 WeakPolarHBondContact OG1-CG 3.31Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 4Å; T257-F265 HydrophobicContact CG2-CG 4.14Å; R258-F265 WeakPolarHBondContact O-CA 3.33Å; P259-F265 HydrophobicContact CB-CE1 4.35Å
266	Q	97.9	Very high	95.5	Very high	45 Å²	45	50.4 Å²	50.4	21%	0.21	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.1	174.3	40.1	164.9	-16.4	0	0	110.3	A229 L230 R258	A229-Q266 CarbonylContact O-C 3.57Å; A229-Q266 VanDerWaalsContact O-CA 3.27Å; A229-Q266 WeakPolarHBondContact O-CA 3.34Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.07Å; R258-Q266 WeakPolarHBondContact O-CG 3.4Å; R258-Q266 PolarHBondContact O-N 3.13Å
267	K	98.4	Very high	95.5	Very high	22 Å²	22	44.8 Å²	44.8	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	154.8	176.8	-162.6	-176.6	-171.2	69.3	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.42Å; A229-K267 PolarHBondContact O-N 2.87Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.35Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L254-K267 HydrophobicContact CD1-CD 4.45Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 WeakPolarHBondContact O-CE 3.42Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 2.87Å; T257-K267 WeakPolarHBondContact OG1-CD 3.46Å; T257-K267 PolarHBondContact OG1-NZ 2.85Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
268	W	98.2	Very high	95.4	Very high	24 Å²	24	43.8 Å²	43.8	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.5	168.8	59.6	-98.2	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.18Å; C227-W268 CarbonylContact O-C 3.57Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 WeakPolarHBondContact O-CB 3.49Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.9Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å; E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.35Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.47Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.5Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.41Å; V255-W268 WeakPolarHBondContact CG2-O 3.2Å; V255-W268 PolarHBondContact N-O 2.89Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
269	A	98.3	Very high	95.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.2	173.9	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.49Å; C227-A269 PolarHBondContact N-O 3.06Å; C227-A269 PolarHBondContact O-N 2.71Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 2.81Å; T252-A269 HydrophobicContact CG2-CB 3.89Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.4Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
270	A	97.9	Very high	95.4	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.3	179.9	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.91Å; L225-A270 CarbonylContact O-C 3.5Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; R226-A270 HydrophobicContact CB-CB 4.1Å; R226-A270 HydrophobicContact CG-CB 4.17Å; T252-A270 CarbonylContact C-O 3.42Å; T252-A270 WeakPolarHBondContact CA-O 3.29Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.15Å; E253-A270 PolarHBondContact O-N 2.9Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
271	V	97.8	Very high	95.5	Very high	4 Å²	4	42 Å²	42	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.3	174.7	-73.2	0	0	0	0	109.5	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.42Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.07Å; L225-V271 PolarHBondContact O-N 3.41Å; W241-V271 HydrophobicContact CB-CG1 3.67Å; W241-V271 HydrophobicContact CB-CG2 4.42Å; W241-V271 HydrophobicContact CD2-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CG2 3.59Å; W241-V271 HydrophobicContact CE3-CG2 3.99Å; W241-V271 HydrophobicContact CG-CB 4.36Å; W241-V271 HydrophobicContact CG-CG1 3.6Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; W241-V271 HydrophobicContact CZ3-CG2 4.48Å; Q248-V271 HydrophobicContact CB-CG1 4.43Å; T252-V271 HydrophobicContact CG2-CG1 4.34Å; T252-V271 VanDerWaalsContact OG1-CG1 3.24Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.26Å; V271-V273 HydrophobicContact CB-CG1 4.42Å; V271-V273 HydrophobicContact CG2-CG1 3.82Å; V271-Y281 HydrophobicContact CG2-CD1 4.08Å; V271-Y281 HydrophobicContact CG2-CE1 4.49Å
272	V	97.3	Very high	95.8	Very high	80 Å²	80	38.9 Å²	38.9	49%	0.485	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	129	168.7	-178.1	0	0	0	0	107.9	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; A223-V272 WeakPolarHBondContact O-CA 3.23Å
273	V	96.5	Very high	96.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.7	-175.8	-52.8	0	0	0	0	110.3	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.38Å; A223-V273 HydrophobicContact CB-CG2 4.43Å; A223-V273 PolarHBondContact N-O 2.81Å; A223-V273 WeakPolarHBondContact O-CG2 3.45Å; A223-V273 PolarHBondContact O-N 3.09Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CB-CG1 4.42Å; V271-V273 HydrophobicContact CG2-CG1 3.82Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.73Å; V273-Y281 HydrophobicContact CG1-CD1 3.73Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.3	Very high	96.6	Very high	45 Å²	45	33 Å²	33	29%	0.292	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	140.4	170.8	-20	32.1	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.46Å; P274-G276 PolarHBondContact O-N 3.29Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.42Å; P274-E277 PolarHBondContact O-N 2.86Å
275	S	92.4	Very high	96.7	Very high	55 Å²	55	32.6 Å²	32.6	39%	0.385	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	127.4	175	-63.1	0	0	0	0	110.9	D220 H221 E222 E278	D220-S275 PolarHBondContact O-OG 3.31Å; H221-S275 PolarHBondContact O-N 2.95Å; H221-S275 PolarHBondContact O-OG 3.47Å; E222-S275 PolarHBondContact N-OG 2.82Å; S275-E278 WeakPolarHBondContact CA-OE1 3.46Å
276	G	91.4	Very high	96.7	Very high	66 Å²	66	36.2 Å²	36.2	68%	0.68	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	89	-6.3	-178.3	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 3.29Å; G276-E278 WeakPolarHBondContact CA-OE2 3.28Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.81Å; G276-E278 PolarHBondContact N-OE2 3.15Å
277	E	95.3	Very high	96.5	Very high	55 Å²	55	34.3 Å²	34.3	26%	0.257	19%	0.189	S	C	.	.			trans	-100.1	3.9	175.4	-65.6	-159.7	-157.6	0	0	113.6	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.5Å; R243-E277 IonicContact NE-OE2 3.38Å; R243-E277 IonicContact NH2-OE1 3.68Å; R243-E277 IonicContact NH2-OE2 2.7Å; R243-E277 PolarHBondContact NH2-OE2 3.42Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.42Å; P274-E277 PolarHBondContact O-N 2.86Å; E277-Q279 PolarHBondContact O-N 3.04Å; E277-R280 WeakPolarHBondContact O-CB 3.44Å; E277-R280 PolarHBondContact O-N 3.44Å; E277-R280 IonicContact OE1-NH1 2.82Å; E277-R280 IonicContact OE2-CZ 3.11Å; E277-R280 IonicContact OE2-NE 3.73Å; E277-R280 IonicContact OE2-NH1 2.62Å; E277-R280 PolarHBondContact OE2-NH1 3.21Å; E277-Y281 HydrophobicContact CB-CE2 4.42Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å
278	E	94.8	Very high	96.1	Very high	19 Å²	19	36.7 Å²	36.7	9%	0.089	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-57.4	-32.7	-171	-56.6	81.8	-179.6	0	0	112.6	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 2.95Å; L225-E278 HydrophobicContact CD1-CB 4.13Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.46Å; G276-E278 WeakPolarHBondContact CA-OE2 3.28Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.81Å; G276-E278 PolarHBondContact N-OE2 3.15Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.24Å; E278-Y281 PolarHBondContact O-N 2.91Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.82Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å
279	Q	95.1	Very high	95.7	Very high	91 Å²	91	36.1 Å²	36.1	43%	0.425	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-73.1	-14.9	-179.4	-62.9	-57.5	-47.5	0	0	114.1	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.04Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 2.91Å
280	R	96.6	Very high	95.5	Very high	98 Å²	98	36.7 Å²	36.7	37%	0.37	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-77.1	-16.5	172.8	-63.9	174	66.9	180	5.4	112.2	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.29Å; R243-R280 HydrophobicContact CG-CB 4.41Å; D244-R280 PolarHBondContact N-O 3.14Å; D244-R280 IonicContact OD1-NE 3.77Å; D244-R280 PolarHBondContact OD1-NE 2.8Å; D244-R280 IonicContact OD2-CZ 2.71Å; D244-R280 IonicContact OD2-NE 3.29Å; D244-R280 PolarHBondContact OD2-NE 3.36Å; D244-R280 IonicContact OD2-NH2 3.99Å; D244-R280 PolarHBondContact OD2-NH2 2.84Å; E277-R280 WeakPolarHBondContact O-CB 3.44Å; E277-R280 PolarHBondContact O-N 3.44Å; E277-R280 IonicContact OE1-NH1 2.82Å; E277-R280 IonicContact OE2-CZ 3.11Å; E277-R280 IonicContact OE2-NE 3.73Å; E277-R280 IonicContact OE2-NH1 2.62Å; E277-R280 PolarHBondContact OE2-NH1 3.21Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.24Å
281	Y	97.6	Very high	95.2	Very high	9 Å²	9	42.3 Å²	42.3	4%	0.035	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.3	-177.6	-69.3	-100.1	0	0	0	111.1	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.41Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.39Å; R243-Y281 HydrophobicContact CG-CD1 4.46Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.07Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.08Å; V271-Y281 HydrophobicContact CG2-CE1 4.49Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.73Å; V273-Y281 HydrophobicContact CG1-CD1 3.73Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.42Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å; E278-Y281 PolarHBondContact O-N 2.91Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	97.9	Very high	94.9	Very high	11 Å²	11	49.3 Å²	49.3	7%	0.067	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.6	175.8	46.8	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.32Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 3.14Å; Q242-T282 PolarHBondContact O-N 3.34Å; T282-H284 PolarHBondContact OG1-NE2 3.35Å; T282-T295 HydrophobicContact CG2-CG2 3.96Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.04Å; T282-R297 HydrophobicContact CG2-CG 3.62Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å
283	C	98.1	Very high	94.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.2	169.8	174.6	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.43Å; C227-C283 WeakPolarHBondContact SG-CB 3.46Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.34Å; T240-C283 CarbonylContact O-C 3.6Å; T240-C283 WeakPolarHBondContact O-CA 3.44Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 4Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.01Å; C283-T295 CarbonylContact O-C 3.6Å; C283-T295 WeakPolarHBondContact O-CA 3.33Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.29Å; C283-L296 PolarHBondContact O-N 3.07Å
284	H	97.8	Very high	94.7	Very high	33 Å²	33	51.6 Å²	51.6	15%	0.153	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.6	176.3	-63.7	-103	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.47Å; T240-H284 PolarHBondContact N-O 2.84Å; T240-H284 PolarHBondContact O-N 2.83Å; T240-H284 WeakPolarHBondContact OG1-CB 3.48Å; Q242-H284 PolarHBondContact OE1-NE2 2.63Å; T282-H284 PolarHBondContact OG1-NE2 3.35Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.34Å; H284-T295 PolarHBondContact CE1-OG1 2.88Å; H284-T295 PolarHBondContact ND1-OG1 3.49Å
285	V	97.8	Very high	94.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.6	-177.7	-174.4	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.96Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.32Å; T238-V285 WeakPolarHBondContact O-CA 3.32Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.33Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; V285-P293 WeakPolarHBondContact O-CA 3.43Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.89Å; V285-L294 PolarHBondContact O-N 3.35Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
286	Q	96.7	Very high	95	Very high	101 Å²	101	52.5 Å²	52.5	47%	0.472	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.6	173.6	-56.7	178.5	14.4	0	0	108.9	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; T238-Q286 PolarHBondContact N-O 3.37Å; T238-Q286 PolarHBondContact O-N 3.34Å; Q286-P293 HydrophobicContact CG-CB 3.96Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
287	H	94.7	Very high	95.2	Very high	5 Å²	5	56.3 Å²	56.3	2%	0.023	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	140.2	-176.1	-179.4	-98.9	0	0	0	109	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.25Å; E207-H287 PolarHBondContact O-CE1 3.22Å; P209-H287 HydrophobicContact CG-CB 4.08Å; F232-H287 AromaticContact CD2-CD2 3.76Å; F232-H287 AromaticContact CD2-NE2 3.68Å; Y233-H287 PolarHBondContact O-CE1 3.32Å; P234-H287 PolarHBondContact O-NE2 3.03Å; E236-H287 PolarHBondContact O-CD2 2.77Å; I237-H287 HydrophobicContact CD1-CB 4.16Å; I237-H287 HydrophobicContact CG1-CB 3.97Å; H287-G289 PolarHBondContact CE1-N 3.08Å; H287-G289 PolarHBondContact ND1-N 2.81Å; H287-G289 PolarHBondContact O-N 3.21Å; H287-L290 HydrophobicContact CB-CD1 4.06Å; H287-L290 HydrophobicContact CB-CG 4.32Å; H287-L290 WeakPolarHBondContact O-CB 3.42Å; H287-L290 PolarHBondContact O-N 3.44Å
288	E	90.6	Very high	95.2	Very high	72 Å²	72	55.9 Å²	55.9	34%	0.336	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-14.1	-178.2	-159.7	-167.2	132.8	0	0	115.1	W23 C25	W23-E288 HydrophobicContact CD2-CG 4.41Å; W23-E288 HydrophobicContact CE3-CB 4.36Å; W23-E288 HydrophobicContact CE3-CG 3.77Å; W23-E288 VanDerWaalsContact CH2-C 3.47Å; W23-E288 HydrophobicContact CZ3-CB 4.27Å; W23-E288 HydrophobicContact CZ3-CG 4.1Å; W23-E288 WeakPolarHBondContact CZ3-O 3.38Å; C25-E288 PolarHBondContact SG-OE1 2.87Å
289	G	89.9	Confident	95	Very high	11 Å²	11	62.9 Å²	62.9	11%	0.113	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-47.9	166.9	0	0	0	0	0	110.6	H208 H287	H208-G289 PolarHBondContact CE1-O 3.25Å; H208-G289 PolarHBondContact ND1-O 3.19Å; H287-G289 PolarHBondContact CE1-N 3.08Å; H287-G289 PolarHBondContact ND1-N 2.81Å; H287-G289 PolarHBondContact O-N 3.21Å
290	L	92.9	Very high	94.3	Very high	12 Å²	12	62.4 Å²	62.4	6%	0.063	31%	0.314	C	S	.	.			trans	-75.3	120.7	-161.1	-64.8	168.7	0	0	0	114.1	W23 H208 P209 V285 H287 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.24Å; W23-L290 WeakPolarHBondContact CZ3-O 3.27Å; H208-L290 HydrophobicContact CB-CD2 4.07Å; H208-L290 PolarHBondContact ND1-N 2.94Å; P209-L290 HydrophobicContact CG-CD1 3.82Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.19Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; H287-L290 HydrophobicContact CB-CD1 4.06Å; H287-L290 HydrophobicContact CB-CG 4.32Å; H287-L290 WeakPolarHBondContact O-CB 3.42Å; H287-L290 PolarHBondContact O-N 3.44Å; L290-E292 WeakPolarHBondContact CB-O 3.42Å; L290-E292 PolarHBondContact O-N 3.14Å; L290-L294 HydrophobicContact CD1-CD1 3.91Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.62Å; L290-L294 HydrophobicContact CD2-CD2 4.45Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; L290-L294 HydrophobicContact CG-CD1 4.43Å; L290-L294 HydrophobicContact CG-CG 4.45Å
291	P	90.8	Very high	92.8	Very high	120 Å²	120	62.3 Å²	62.3	78%	0.779	33%	0.329	S	S	*	.	S	Bend	trans	-59	-29.5	178.8	26.2	-35.2	0	0	0	113
292	E	91.9	Very high	90.6	Very high	152 Å²	152	67.2 Å²	67.2	71%	0.71	36%	0.364	S	S	*	.	S	Bend	trans	-139.6	149.8	172.5	-65.4	-177.9	177.9	0	0	109.9	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.42Å; L290-E292 PolarHBondContact O-N 3.14Å; E292-L294 PolarHBondContact O-N 2.98Å
293	P	94.7	Very high	88.1	Confident	69 Å²	69	74.3 Å²	74.3	45%	0.448	40%	0.397	S	S	.	.			trans	-53.8	136	173.6	-27.4	36.2	0	0	0	112.7	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.43Å; Q286-P293 HydrophobicContact CG-CB 3.96Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
294	L	96.4	Very high	85.5	Confident	60 Å²	60	79.3 Å²	79.3	31%	0.314	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	140.4	175.2	-64.2	177.4	0	0	0	110.5	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.36Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.34Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.89Å; V285-L294 PolarHBondContact O-N 3.35Å; L290-L294 HydrophobicContact CD1-CD1 3.91Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.62Å; L290-L294 HydrophobicContact CD2-CD2 4.45Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; L290-L294 HydrophobicContact CG-CD1 4.43Å; L290-L294 HydrophobicContact CG-CG 4.45Å; E292-L294 PolarHBondContact O-N 2.98Å
295	T	97.4	Very high	83.4	Confident	83 Å²	83	84.1 Å²	84.1	51%	0.509	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.3	170.7	-56.6	0	0	0	0	108.8	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.96Å; C283-T295 CarbonylContact O-C 3.6Å; C283-T295 WeakPolarHBondContact O-CA 3.33Å; H284-T295 PolarHBondContact CE1-OG1 2.88Å; H284-T295 PolarHBondContact ND1-OG1 3.49Å
296	L	96.9	Very high	81.4	Confident	35 Å²	35	89 Å²	89	18%	0.183	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.3	-173.9	-60.3	155	0	0	0	109.9	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.4Å; T211-L296 HydrophobicContact CG2-CD1 4.13Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.48Å; V213-L296 HydrophobicContact CG2-CB 3.94Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.04Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.29Å; C283-L296 PolarHBondContact O-N 3.07Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
297	R	95.9	Very high	79.5	Confident	147 Å²	147	88.4 Å²	88.4	56%	0.555	49%	0.491	S	S	*	.			trans	-117.8	161.2	167	-70.8	-175.4	176.1	159.6	-0.1	109.3	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.62Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å; R297-E299 PolarHBondContact O-N 3.29Å
298	W	95.6	Very high	77.9	Confident	45 Å²	45	94 Å²	94	17%	0.17	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-69.4	122.7	167.9	170.2	57.5	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.85Å; H215-W298 HydrophobicContact CB-CD2 4.12Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4.04Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.8Å; H215-W298 AromaticContact CG-CZ2 3.83Å; H215-W298 AromaticContact ND1-CZ2 3.99Å; L225-W298 HydrophobicContact CD1-CB 4.46Å; L225-W298 HydrophobicContact CD2-CB 3.86Å; L225-W298 HydrophobicContact CD2-CD2 4.41Å; L225-W298 HydrophobicContact CD2-CG 3.99Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.82Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å; Q279-W298 PolarHBondContact NE2-O 2.91Å; W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.32Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.09Å; W298-P300 HydrophobicContact CZ2-CG 4.04Å; W298-P300 HydrophobicContact CZ3-CG 4.12Å
299	E	89.2	Confident	76.5	Confident	167 Å²	167	96.4 Å²	96.4	78%	0.78	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-101	120.3	170.2	-71.5	-176.6	174.3	0	0	109.3	R297 S301	R297-E299 PolarHBondContact O-N 3.29Å; E299-S301 PolarHBondContact O-N 3.4Å
300	P	81.2	Confident	75.3	Confident	80 Å²	80	98 Å²	98	52%	0.519	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-59.1	126.3	171.6	-20.7	31.4	0	0	0	109.3	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.32Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.09Å; W298-P300 HydrophobicContact CZ2-CG 4.04Å; W298-P300 HydrophobicContact CZ3-CG 4.12Å; P300-S302 PolarHBondContact O-N 3Å
301	S	65.5	Low	74.3	Confident	96 Å²	96	101.8 Å²	101.8	67%	0.671	58%	0.575	S	S	*	*			trans	-51.2	107.8	176.7	137.3	0	0	0	0	110	E299 Q303	E299-S301 PolarHBondContact O-N 3.4Å; S301-Q303 PolarHBondContact O-N 3.48Å
302	S	50.2	Low	73.5	Confident	112 Å²	112	100.4 Å²	100.4	78%	0.783	56%	0.564	S	S	*	*			trans	-78.7	68.1	166.2	60.5	0	0	0	0	108.3	P300 P304	P300-S302 PolarHBondContact O-N 3Å; S302-P304 WeakPolarHBondContact O-CD 3.4Å
303	Q	45.6	Very low	72.6	Confident	161 Å²	161	95.7 Å²	95.7	75%	0.752	55%	0.551	S	S	*	*			trans	-70.7	111.6	154.5	-82.8	-171.4	-16.1	0	0	105.3	S301 T305	S301-Q303 PolarHBondContact O-N 3.48Å; Q303-T305 PolarHBondContact O-N 3.25Å
304	P	44.8	Very low	72	Confident	105 Å²	105	94 Å²	94	68%	0.682	55%	0.547	S	S	*	.			trans	-60	113.8	164.9	25.3	-30	0	0	0	105.3	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.4Å; P304-I306 HydrophobicContact CB-CG1 4.41Å; P304-I306 HydrophobicContact CG-CG1 4.46Å; P304-I306 PolarHBondContact O-N 3.42Å
305	T	52.2	Low	71.4	Confident	134 Å²	134	96.4 Å²	96.4	82%	0.822	56%	0.559	S	S	*	*			trans	-63.9	80	159.7	-42.4	0	0	0	0	105.2	Q303 P307	Q303-T305 PolarHBondContact O-N 3.25Å; T305-P307 VanDerWaalsContact O-CD 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.35Å
306	I	55.8	Low	70.6	Confident	103 Å²	103	95 Å²	95	53%	0.528	56%	0.556	S	S	.	*			trans	-52.1	119.6	166.9	-63.1	175.3	0	0	0	103.1	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.41Å; P304-I306 HydrophobicContact CG-CG1 4.46Å; P304-I306 PolarHBondContact O-N 3.42Å; I306-I308 HydrophobicContact CG2-CG1 4.3Å; I306-I308 PolarHBondContact O-N 2.81Å; I306-I311 HydrophobicContact CG2-CD1 3.97Å
307	P	56.7	Low	70	Confident	88 Å²	88	97.5 Å²	97.5	57%	0.571	57%	0.572	S	S	*	*			trans	-74.1	77.2	-177.1	30.3	-32.8	0	0	0	106.8	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.35Å; P307-V309 PolarHBondContact O-N 2.65Å; P307-V309 VanDerWaalsContact O-N 3.16Å; P307-G310 WeakPolarHBondContact O-CA 3.43Å; P307-G310 PolarHBondContact O-N 2.85Å; P307-I311 PolarHBondContact O-N 3.23Å; P307-I311 VanDerWaalsContact O-N 3.09Å
308	I	60.9	Low	69.5	Low	121 Å²	121	95.9 Å²	95.9	62%	0.621	57%	0.574	S	S	*	*	H	α-helix	trans	-54.5	-35.4	177.6	-66.3	168.2	0	0	0	108.4	I306 G310 I311 V312	I306-I308 HydrophobicContact CG2-CG1 4.3Å; I306-I308 PolarHBondContact O-N 2.81Å; I308-G310 PolarHBondContact O-N 3.12Å; I308-I311 PolarHBondContact O-N 3.45Å; I308-V312 HydrophobicContact CG2-CG2 4.31Å; I308-V312 WeakPolarHBondContact O-CB 3.46Å; I308-V312 WeakPolarHBondContact O-CG2 3.34Å; I308-V312 PolarHBondContact O-N 3.19Å
309	V	61	Low	68.9	Low	124 Å²	124	96.4 Å²	96.4	75%	0.752	59%	0.588	S	S	*	*	H	α-helix	trans	-62	-41	173.5	-179.9	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 2.65Å; P307-V309 VanDerWaalsContact O-N 3.16Å; V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 3.27Å
310	G	65.7	Low	68.7	Low	43 Å²	43	92.6 Å²	92.6	44%	0.443	58%	0.576	S	S	.	*	H	α-helix	trans	-69.1	-38.2	179.2	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.43Å; P307-G310 PolarHBondContact O-N 2.85Å; I308-G310 PolarHBondContact O-N 3.12Å; G310-G314 PolarHBondContact O-N 3.49Å
311	I	72.4	Confident	68.9	Low	92 Å²	92	93.8 Å²	93.8	47%	0.472	58%	0.577	S	S	.	*	H	α-helix	trans	-69.6	-43.9	176.6	-61.8	173.2	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.97Å; P307-I311 PolarHBondContact O-N 3.23Å; P307-I311 VanDerWaalsContact O-N 3.09Å; I308-I311 PolarHBondContact O-N 3.45Å; I311-G314 PolarHBondContact O-N 3.03Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.47Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.8Å
312	V	74	Confident	69.7	Low	91 Å²	91	92.3 Å²	92.3	55%	0.552	57%	0.571	S	S	*	*	H	α-helix	trans	-65.4	-42.9	178.1	172.9	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.31Å; I308-V312 WeakPolarHBondContact O-CB 3.46Å; I308-V312 WeakPolarHBondContact O-CG2 3.34Å; I308-V312 PolarHBondContact O-N 3.19Å; V312-L315 PolarHBondContact O-N 3.35Å; V312-A316 WeakPolarHBondContact O-CB 3.4Å; V312-A316 PolarHBondContact O-N 2.99Å
313	A	73.3	Confident	71.2	Confident	54 Å²	54	91.4 Å²	91.4	45%	0.446	56%	0.561	S	S	.	*	H	α-helix	trans	-63.1	-43.1	175.2	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 3.27Å; A313-A316 PolarHBondContact O-N 3.49Å; A313-V317 WeakPolarHBondContact O-CG2 3.4Å; A313-V317 PolarHBondContact O-N 3.41Å
314	G	80.4	Confident	73	Confident	34 Å²	34	88.4 Å²	88.4	35%	0.351	55%	0.549	S	S	.	.	H	α-helix	trans	-62	-43.8	176.9	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.49Å; I311-G314 PolarHBondContact O-N 3.03Å; G314-V317 PolarHBondContact O-N 2.99Å; G314-L318 PolarHBondContact O-N 2.91Å
315	L	84.1	Confident	74.7	Confident	109 Å²	109	85.4 Å²	85.4	57%	0.571	54%	0.538	S	S	*	.	H	α-helix	trans	-66.7	-38.4	177	-73	172.2	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.47Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.8Å; V312-L315 PolarHBondContact O-N 3.35Å; L315-L318 PolarHBondContact O-N 3.05Å; L315-A319 WeakPolarHBondContact O-CB 3.43Å; L315-A319 PolarHBondContact O-N 3.28Å
316	A	81.8	Confident	76	Confident	55 Å²	55	81.7 Å²	81.7	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-63.5	-42.3	176	0	0	0	0	0	111.8	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.4Å; V312-A316 PolarHBondContact O-N 2.99Å; A313-A316 PolarHBondContact O-N 3.49Å; A316-A319 PolarHBondContact O-N 3.35Å; A316-V320 VanDerWaalsContact O-CG2 3.28Å; A316-V320 WeakPolarHBondContact O-CG2 3.44Å; A316-V320 PolarHBondContact O-N 3.33Å
317	V	84.5	Confident	77.1	Confident	86 Å²	86	80.8 Å²	80.8	52%	0.521	52%	0.519	S	S	.	.	H	α-helix	trans	-64.6	-44.6	176.4	172.7	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.4Å; A313-V317 PolarHBondContact O-N 3.41Å; G314-V317 PolarHBondContact O-N 2.99Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.71Å; V317-V320 PolarHBondContact O-N 3.43Å; V317-L321 HydrophobicContact CG1-CD1 3.99Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.24Å; V317-L321 PolarHBondContact O-N 2.86Å
318	L	84.1	Confident	78.1	Confident	113 Å²	113	80.5 Å²	80.5	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-60.6	-41.8	176.5	-85.7	163.3	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 2.91Å; L315-L318 PolarHBondContact O-N 3.05Å; L318-L321 PolarHBondContact O-N 3.44Å; L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 2.9Å
319	A	84.1	Confident	78.7	Confident	56 Å²	56	77.3 Å²	77.3	46%	0.463	51%	0.507	S	S	.	.	H	α-helix	trans	-63.1	-43.7	176.7	0	0	0	0	0	111.9	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.43Å; L315-A319 PolarHBondContact O-N 3.28Å; A316-A319 PolarHBondContact O-N 3.35Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.71Å; A319-A322 PolarHBondContact O-N 3.43Å; A319-V323 WeakPolarHBondContact O-CG2 3.17Å; A319-V323 PolarHBondContact O-N 2.88Å
320	V	84.3	Confident	79.3	Confident	87 Å²	87	75.1 Å²	75.1	53%	0.527	49%	0.494	S	S	.	.	H	α-helix	trans	-63.2	-43.8	177	171.7	0	0	0	0	111.1	A316 V317 A322 V323 L324	A316-V320 VanDerWaalsContact O-CG2 3.28Å; A316-V320 WeakPolarHBondContact O-CG2 3.44Å; A316-V320 PolarHBondContact O-N 3.33Å; V317-V320 PolarHBondContact O-N 3.43Å; V320-A322 PolarHBondContact O-N 3.1Å; V320-V323 PolarHBondContact O-N 3.23Å; V320-L324 HydrophobicContact CG1-CD1 3.99Å; V320-L324 WeakPolarHBondContact O-CG 3.37Å; V320-L324 PolarHBondContact O-N 3.03Å
321	L	85	Confident	79.6	Confident	105 Å²	105	77.1 Å²	77.1	55%	0.55	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-39.2	177.2	-71.1	174.2	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.99Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.24Å; V317-L321 PolarHBondContact O-N 2.86Å; L318-L321 PolarHBondContact O-N 3.44Å; L321-L324 PolarHBondContact O-N 3.06Å; L321-G325 PolarHBondContact O-N 3.19Å
322	A	82.8	Confident	79.6	Confident	65 Å²	65	79 Å²	79	54%	0.537	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-42.3	175.9	0	0	0	0	0	111.9	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 2.9Å; A319-A322 PolarHBondContact O-N 3.43Å; V320-A322 PolarHBondContact O-N 3.1Å; A322-G325 PolarHBondContact O-N 2.94Å; A322-A326 WeakPolarHBondContact O-CB 3.22Å; A322-A326 PolarHBondContact O-N 2.88Å
323	V	82.7	Confident	79	Confident	94 Å²	94	78.8 Å²	78.8	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-64.7	-45	176.1	173.4	0	0	0	0	111	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.17Å; A319-V323 PolarHBondContact O-N 2.88Å; V320-V323 PolarHBondContact O-N 3.23Å; V323-G325 VanDerWaalsContact C-N 3.35Å; V323-G325 PolarHBondContact O-N 3.46Å; V323-A326 PolarHBondContact O-N 2.95Å; V323-V327 HydrophobicContact CG1-CG2 4.45Å; V323-V327 VanDerWaalsContact O-CG2 3.3Å; V323-V327 WeakPolarHBondContact O-CG2 3.36Å; V323-V327 PolarHBondContact O-N 3.01Å
324	L	81.4	Confident	78.4	Confident	98 Å²	98	85.2 Å²	85.2	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-61.3	-43.4	175.9	-73.2	169.8	0	0	0	111.7	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.99Å; V320-L324 WeakPolarHBondContact O-CG 3.37Å; V320-L324 PolarHBondContact O-N 3.03Å; L321-L324 PolarHBondContact O-N 3.06Å; L324-A326 PolarHBondContact O-N 3.41Å; L324-V327 PolarHBondContact O-N 2.87Å; L324-V328 WeakPolarHBondContact O-CG2 3.4Å; L324-V328 PolarHBondContact O-N 3.18Å
325	G	81.6	Confident	77.3	Confident	42 Å²	42	93.8 Å²	93.8	43%	0.433	54%	0.542	S	S	.	.	H	α-helix	trans	-59.9	-43.7	174.9	0	0	0	0	0	112.7	L321 A322 V323 V328 A329	L321-G325 PolarHBondContact O-N 3.19Å; A322-G325 PolarHBondContact O-N 2.94Å; V323-G325 VanDerWaalsContact C-N 3.35Å; V323-G325 PolarHBondContact O-N 3.46Å; G325-V328 PolarHBondContact O-N 2.98Å; G325-A329 WeakPolarHBondContact O-CB 3.23Å; G325-A329 PolarHBondContact O-N 3.29Å
326	A	79	Confident	75.7	Confident	56 Å²	56	97.2 Å²	97.2	46%	0.463	55%	0.553	S	S	.	*	H	α-helix	trans	-64.6	-41.5	176.1	0	0	0	0	0	112.3	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.22Å; A322-A326 PolarHBondContact O-N 2.88Å; V323-A326 PolarHBondContact O-N 2.95Å; L324-A326 PolarHBondContact O-N 3.41Å; A326-A329 PolarHBondContact O-N 2.91Å; A326-V330 WeakPolarHBondContact O-CB 3.17Å; A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.39Å; A326-V330 PolarHBondContact O-N 3.24Å
327	V	78.8	Confident	74.2	Confident	83 Å²	83	99.1 Å²	99.1	50%	0.503	56%	0.563	S	S	.	*	H	α-helix	trans	-63.3	-44.8	176.4	171.7	0	0	0	0	110.8	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.45Å; V323-V327 VanDerWaalsContact O-CG2 3.3Å; V323-V327 WeakPolarHBondContact O-CG2 3.36Å; V323-V327 PolarHBondContact O-N 3.01Å; L324-V327 PolarHBondContact O-N 2.87Å; V327-A329 PolarHBondContact O-N 3.49Å; V327-V330 PolarHBondContact O-N 3.09Å; V327-V331 HydrophobicContact CG1-CG2 4.39Å; V327-V331 WeakPolarHBondContact O-CB 3.45Å; V327-V331 VanDerWaalsContact O-CG2 3.26Å; V327-V331 WeakPolarHBondContact O-CG2 2.99Å; V327-V331 PolarHBondContact O-N 2.94Å
328	V	77.4	Confident	72.5	Confident	83 Å²	83	100.1 Å²	100.1	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-61.7	-44	176.1	172.7	0	0	0	0	110.9	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.4Å; L324-V328 PolarHBondContact O-N 3.18Å; G325-V328 PolarHBondContact O-N 2.98Å; V328-V330 PolarHBondContact O-N 3.39Å; V328-V331 PolarHBondContact O-N 2.72Å; V328-M332 HydrophobicContact CG1-CG 4.42Å; V328-M332 HydrophobicContact CG1-SD 4.24Å; V328-M332 WeakPolarHBondContact O-CB 3.47Å; V328-M332 WeakPolarHBondContact O-CG 3.38Å; V328-M332 PolarHBondContact O-N 2.93Å
329	A	74	Confident	70.5	Confident	53 Å²	53	97.7 Å²	97.7	44%	0.438	58%	0.575	S	S	.	*	H	α-helix	trans	-61.1	-44.5	176.7	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.23Å; G325-A329 PolarHBondContact O-N 3.29Å; A326-A329 PolarHBondContact O-N 2.91Å; V327-A329 PolarHBondContact O-N 3.49Å; A329-M332 PolarHBondContact O-N 3.23Å; A329-C333 WeakPolarHBondContact O-CB 3.31Å; A329-C333 PolarHBondContact O-N 2.81Å; A329-C333 PolarHBondContact O-SG 2.86Å
330	V	74	Confident	68.2	Low	79 Å²	79	98.8 Å²	98.8	48%	0.479	59%	0.592	S	S	.	*	H	α-helix	trans	-64.2	-41.4	176.4	169.8	0	0	0	0	111.5	A326 V327 V328 C333 R334	A326-V330 WeakPolarHBondContact O-CB 3.17Å; A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.39Å; A326-V330 PolarHBondContact O-N 3.24Å; V327-V330 PolarHBondContact O-N 3.09Å; V328-V330 PolarHBondContact O-N 3.39Å; V330-C333 PolarHBondContact O-N 2.67Å; V330-R334 WeakPolarHBondContact O-CB 3.14Å; V330-R334 WeakPolarHBondContact O-CG 3.47Å; V330-R334 PolarHBondContact O-N 3.02Å
331	V	72.6	Confident	65.9	Low	84 Å²	84	105.2 Å²	105.2	51%	0.509	61%	0.613	S	S	.	*	H	α-helix	trans	-66.1	-40.9	177.3	171	0	0	0	0	111	V327 V328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.39Å; V327-V331 WeakPolarHBondContact O-CB 3.45Å; V327-V331 VanDerWaalsContact O-CG2 3.26Å; V327-V331 WeakPolarHBondContact O-CG2 2.99Å; V327-V331 PolarHBondContact O-N 2.94Å; V328-V331 PolarHBondContact O-N 2.72Å; V331-R334 PolarHBondContact O-N 3.29Å; V331-R335 WeakPolarHBondContact O-CB 3.23Å; V331-R335 PolarHBondContact O-N 3Å
332	M	70.9	Confident	63.4	Low	131 Å²	131	104 Å²	104	65%	0.645	63%	0.627	S	S	*	*	H	α-helix	trans	-66.2	-40.8	174.7	-73.2	-171.2	72.2	0	0	112.3	V328 A329 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.42Å; V328-M332 HydrophobicContact CG1-SD 4.24Å; V328-M332 WeakPolarHBondContact O-CB 3.47Å; V328-M332 WeakPolarHBondContact O-CG 3.38Å; V328-M332 PolarHBondContact O-N 2.93Å; A329-M332 PolarHBondContact O-N 3.23Å; M332-R335 PolarHBondContact O-N 2.77Å; M332-K336 WeakPolarHBondContact O-CB 3.29Å; M332-K336 PolarHBondContact O-N 3.23Å
333	C	62.4	Low	61	Low	88 Å²	88	104.8 Å²	104.8	60%	0.595	64%	0.64	S	S	*	*	H	α-helix	trans	-62.3	-41.2	173.1	-80.7	0	0	0	0	111.8	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.31Å; A329-C333 PolarHBondContact O-N 2.81Å; A329-C333 PolarHBondContact O-SG 2.86Å; V330-C333 PolarHBondContact O-N 2.67Å; C333-K336 PolarHBondContact O-N 3.33Å; C333-S337 PolarHBondContact O-N 2.88Å; C333-S337 PolarHBondContact O-OG 3.24Å
334	R	60.7	Low	58.7	Low	189 Å²	189	105.7 Å²	105.7	71%	0.713	65%	0.651	S	S	*	*	H	α-helix	trans	-68.6	-32.2	175.7	-80.1	-173.5	154.3	163.9	-3.5	113.4	V330 V331 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.14Å; V330-R334 WeakPolarHBondContact O-CG 3.47Å; V330-R334 PolarHBondContact O-N 3.02Å; V331-R334 PolarHBondContact O-N 3.29Å; R334-K336 VanDerWaalsContact C-N 3.32Å; R334-S337 PolarHBondContact O-OG 3.18Å
335	R	56.6	Low	56.3	Low	213 Å²	213	106.5 Å²	106.5	80%	0.804	66%	0.664	S	S	*	*	H	α-helix	trans	-71.1	-27.4	171.7	-121.6	179.4	177.6	175.3	-0.5	112.6	V331 M332	V331-R335 WeakPolarHBondContact O-CB 3.23Å; V331-R335 PolarHBondContact O-N 3Å; M332-R335 PolarHBondContact O-N 2.77Å
336	K	50	Low	54	Low	182 Å²	182	110.3 Å²	110.3	79%	0.791	68%	0.684	S	S	*	*	H	α-helix	trans	-87.4	-20.6	179	-163	167.4	-179	177.5	0	113.4	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.29Å; M332-K336 PolarHBondContact O-N 3.23Å; C333-K336 PolarHBondContact O-N 3.33Å; R334-K336 VanDerWaalsContact C-N 3.32Å
337	S	50.8	Low	51.9	Low	95 Å²	95	116.8 Å²	116.8	66%	0.664	70%	0.704	S	S	*	*	S	Bend	trans	-88.9	5.1	178.6	61.4	0	0	0	0	115.2	C333 R334 G339	C333-S337 PolarHBondContact O-N 2.88Å; C333-S337 PolarHBondContact O-OG 3.24Å; R334-S337 PolarHBondContact O-OG 3.18Å; S337-G339 VanDerWaalsContact C-N 3.31Å; S337-G339 PolarHBondContact O-N 2.6Å
338	S	48.3	Very low	49.6	Very low	106 Å²	106	117.3 Å²	117.3	74%	0.741	72%	0.718	S	S	*	*	S	Bend	trans	-91.7	25.2	174.9	74	0	0	0	0	114
339	G	42.9	Very low	47.6	Very low	62 Å²	62	117.4 Å²	117.4	64%	0.639	73%	0.727	S	S	*	*	S	Bend	trans	-156.3	111.4	173.7	0	0	0	0	0	112.8	S337	S337-G339 VanDerWaalsContact C-N 3.31Å; S337-G339 PolarHBondContact O-N 2.6Å
340	G	36	Very low	45.8	Very low	80 Å²	80	120.2 Å²	120.2	83%	0.825	74%	0.743	S	S	*	*			trans	108.2	80	151.6	0	0	0	0	0	118.7
341	K	35.7	Very low	43.8	Very low	221 Å²	221	122.1 Å²	122.1	96%	0.961	76%	0.761	S	S	*	*			trans	11.2	129.7	130.7	-145.8	153.5	-176.3	170.8	0	119.7
342	G	33.2	Very low	42.3	Very low	81 Å²	81	125.9 Å²	125.9	84%	0.835	78%	0.778	S	S	*	*			trans	137.1	121.4	138.7	0	0	0	0	0	118.9
343	G	31.7	Very low	40.8	Very low	80 Å²	80	126 Å²	126	83%	0.825	79%	0.791	S	S	*	*			trans	103	92.5	130.2	0	0	0	0	0	121.5
344	S	34.7	Very low	39.8	Very low	114 Å²	114	126.1 Å²	126.1	80%	0.797	80%	0.799	S	S	*	*			trans	14.8	142.7	139.1	-157.8	0	0	0	0	125
345	C	30.8	Very low	38.6	Very low	114 Å²	114	127.1 Å²	127.1	77%	0.77	81%	0.811	S	S	*	*			trans	24.6	141.1	143.9	-70.7	0	0	0	0	121.1
346	S	33.2	Very low	37.3	Very low	123 Å²	123	120.4 Å²	120.4	86%	0.86	81%	0.809	S	S	*	*				-173.6	178.7	59	16.2	0	0	0	0	113.6
347	Q	34.7	Very low	36.9	Very low	191 Å²	191	117.1 Å²	117.1	89%	0.893	81%	0.809	S	S	*	*			trans	-87.7	177.3	-156.2	-156.7	175.2	-0.1	0	0	116.7
348	A	31.9	Very low	36.3	Very low	95 Å²	95	120.1 Å²	120.1	79%	0.785	82%	0.817	S	S	*	*			trans	101.2	138.2	152	0	0	0	0	0	117
349	A	34.9	Very low	35.4	Very low	85 Å²	85	124.1 Å²	124.1	70%	0.702	82%	0.824	S	S	*	*			cis	-164.6	141.9	-2.3	0	0	0	0	0	109.7
350	S	36.3	Very low	35	Very low	111 Å²	111	125.5 Å²	125.5	78%	0.776	82%	0.824	S	S	*	*				69.3	128.4	113.9	81	0	0	0	0	119.6
351	S	32.1	Very low	34.9	Very low	120 Å²	120	128.5 Å²	128.5	84%	0.839	82%	0.82	S	S	*	*				-164.5	137.3	107.2	43.7	0	0	0	0	111.5
352	N	41	Very low	34.8	Very low	163 Å²	163	125 Å²	125	87%	0.872	81%	0.811	S	S	*	*			trans	-114.5	150.4	171.4	-103.4	-12	0	0	0	107.1
353	S	39.3	Very low	34.8	Very low	133 Å²	133	125.1 Å²	125.1	93%	0.93	80%	0.804	S	S	*	*			trans	-157.8	138.9	146.2	-54.9	0	0	0	0	110
354	A	41	Very low	34.7	Very low	91 Å²	91	126.8 Å²	126.8	75%	0.752	80%	0.801	S	S	*	*			trans	-121.8	156.3	-173.5	0	0	0	0	0	111.3
355	Q	36.5	Very low	34.7	Very low	209 Å²	209	130.8 Å²	130.8	98%	0.977	80%	0.804	S	S	*	*			trans	168.6	147.7	145.2	-103.3	163	-24.4	0	0	108
356	G	29	Very low	35	Very low	73 Å²	73	133.7 Å²	133.7	75%	0.753	84%	0.836	S	S	*	*			cis	-165.7	174.1	8.3	0	0	0	0	0	110.1
357	S	40.5	Very low	35.1	Very low	112 Å²	112	134.2 Å²	134.2	78%	0.783	84%	0.835	S	S	*	*			trans	-96.1	166.6	-170.2	-44.2	0	0	0	0	113.7
358	D	38.1	Very low	35.1	Very low	158 Å²	158	131.2 Å²	131.2	85%	0.845	83%	0.832	S	S	*	*			trans	103.4	132.5	144.3	-70.6	-17.8	0	0	0	122.2
359	E	31	Very low	35.3	Very low	191 Å²	191	133.2 Å²	133.2	89%	0.893	84%	0.835	S	S	*	*			trans	117.6	145.9	135.4	-100.8	-168.1	159.5	0	0	121.1
360	S	33	Very low	35.3	Very low	90 Å²	90	136.1 Å²	136.1	63%	0.629	84%	0.842	S	S	*	*			trans	-106	178.5	-151.9	52.2	0	0	0	0	113.9
361	L	34.5	Very low	35.2	Very low	143 Å²	143	137.6 Å²	137.6	75%	0.749	85%	0.847	S	S	*	*			trans	103.9	102.6	155	-65.9	160.9	0	0	0	118.5
362	I	33.6	Very low	35.4	Very low	149 Å²	149	138.8 Å²	138.8	76%	0.764	85%	0.847	S	S	*	*				40.4	107.9	107.8	-58.8	-179	0	0	0	117.9
363	A	32.5	Very low	35.1	Very low	83 Å²	83	137.1 Å²	137.1	69%	0.686	85%	0.845	S	S	*	*				71.1	129.4	125.3	0	0	0	0	0	123.9
364	C	30.7	Very low	34.7	Very low	114 Å²	114	137.4 Å²	137.4	77%	0.77	84%	0.839	S	S	*	*				113.7	122	117.1	-98	0	0	0	0	120
365	K	34.4	Very low	34.2	Very low	199 Å²	199	141.3 Å²	141.3	87%	0.865	85%	0.846	S	S	*	*			trans	71	120.4	139.8	-82.4	-179.5	171.9	179.1	0	120.2
366	A	36.7	Very low	34	Very low	174 Å²	174	135.1 Å²	135.1	100%	1.438	83%	0.834	S	S	*	*				-141	0	85.9	0	0	0	0	0	109.6

Retrieved 366 of 366 residues in 1405.4 ms (Link to these results)

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