A0A090MEZ8_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090MEZ8, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	43.3	Very low	241 Å²	241	144.3 Å²	144.3	100%	1.187	73%	0.725	S	S	*	*				0	104.2	0	-77.6	163.2	156.5	0	0	108.2	V3	M1-V3 PolarHBondContact O-N 2.84Å
2	R	34.4	Very low	43.5	Very low	254 Å²	254	143.4 Å²	143.4	96%	0.958	72%	0.723	S	S	*	*			trans	-78.3	110.9	171.8	-94.6	179.3	172.2	162.6	-2.6	106.9	M4	R2-M4 PolarHBondContact O-N 3.32Å
3	V	37.3	Very low	43.2	Very low	142 Å²	142	140.2 Å²	140.2	86%	0.861	71%	0.708	S	S	*	*			trans	-68.7	102.9	171	178.8	0	0	0	0	106.6	M1 A5	M1-V3 PolarHBondContact O-N 2.84Å; V3-A5 PolarHBondContact O-N 3.34Å
4	M	42.1	Very low	43.2	Very low	171 Å²	171	134.6 Å²	134.6	84%	0.842	69%	0.688	S	S	*	*			trans	-80	98.9	175.6	-160.1	166.8	65.1	0	0	106.4	R2	R2-M4 PolarHBondContact O-N 3.32Å
5	A	44.6	Very low	43.1	Very low	60 Å²	60	127.9 Å²	127.9	50%	0.496	67%	0.666	S	S	.	*			trans	-56.4	139.3	172.7	0	0	0	0	0	109.2	V3 R7	V3-A5 PolarHBondContact O-N 3.34Å; A5-R7 PolarHBondContact O-N 3.25Å
6	P	43.6	Very low	43	Very low	74 Å²	74	123.3 Å²	123.3	48%	0.481	65%	0.652	S	S	.	*			trans	-64.2	121.9	-176.6	-10.3	23.6	0	0	0	109	T8 L9	P6-T8 PolarHBondContact O-N 2.76Å; P6-L9 PolarHBondContact O-N 3.44Å
7	R	49.3	Very low	42.6	Very low	212 Å²	212	122.7 Å²	122.7	80%	0.8	65%	0.649	S	S	*	*	H	α-helix	trans	-53.4	-22	175	-84.3	177.4	161.5	142.7	-6.3	113.2	A5 L11	A5-R7 PolarHBondContact O-N 3.25Å; R7-L11 PolarHBondContact O-N 3.49Å
8	T	50.5	Low	42.3	Very low	99 Å²	99	119.2 Å²	119.2	61%	0.607	64%	0.64	S	S	*	*	H	α-helix	trans	-69.2	-32.7	173.6	28.5	0	0	0	0	113.9	P6 L12	P6-T8 PolarHBondContact O-N 2.76Å; T8-L12 PolarHBondContact O-N 3.47Å
9	L	42.6	Very low	42.2	Very low	106 Å²	106	118.3 Å²	118.3	56%	0.555	64%	0.635	S	S	*	*	H	α-helix	trans	-72.9	-34.3	178.5	-134.4	96.5	0	0	0	111.6	P6 L13	P6-L9 PolarHBondContact O-N 3.44Å; L9-L13 WeakPolarHBondContact O-CD1 3.41Å; L9-L13 PolarHBondContact O-N 2.98Å; L9-L13 VanDerWaalsContact O-N 3.15Å
10	I	48	Very low	41.9	Very low	101 Å²	101	117 Å²	117	52%	0.518	63%	0.631	S	S	.	*	H	α-helix	trans	-69.6	-37.8	179.2	-64.6	170.3	0	0	0	110.8	L13 S14	I10-L13 PolarHBondContact O-N 3.45Å; I10-S14 WeakPolarHBondContact O-CB 3.49Å; I10-S14 PolarHBondContact O-N 3.29Å; I10-S14 PolarHBondContact O-OG 3.35Å
11	L	49.8	Very low	41.6	Very low	127 Å²	127	119.1 Å²	119.1	67%	0.665	64%	0.637	S	S	*	*	H	α-helix	trans	-68.2	-38.1	176.6	-78	162.6	0	0	0	113	R7 S14 G15	R7-L11 PolarHBondContact O-N 3.49Å; L11-S14 PolarHBondContact O-N 3.34Å; L11-G15 PolarHBondContact O-N 3.04Å
12	L	45.2	Very low	42	Very low	134 Å²	134	112.6 Å²	112.6	70%	0.702	61%	0.611	S	S	*	*	H	α-helix	trans	-66.8	-39.7	175.1	-75.4	165.7	0	0	0	112.1	T8 S14 G15 A16	T8-L12 PolarHBondContact O-N 3.47Å; L12-S14 VanDerWaalsContact C-N 3.33Å; L12-G15 PolarHBondContact O-N 3.45Å; L12-A16 WeakPolarHBondContact O-CB 3.29Å; L12-A16 PolarHBondContact O-N 3.39Å
13	L	39.2	Very low	42.8	Very low	102 Å²	102	104.9 Å²	104.9	53%	0.534	58%	0.582	S	S	.	*	H	α-helix	trans	-67.4	-33.1	173	-79.3	158.3	0	0	0	112.2	L9 I10 L17	L9-L13 WeakPolarHBondContact O-CD1 3.41Å; L9-L13 PolarHBondContact O-N 2.98Å; L9-L13 VanDerWaalsContact O-N 3.15Å; I10-L13 PolarHBondContact O-N 3.45Å; L13-L17 VanDerWaalsContact O-CB 3.26Å; L13-L17 WeakPolarHBondContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CD1 3.45Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 2.96Å
14	S	43.1	Very low	43.5	Very low	61 Å²	61	100.5 Å²	100.5	43%	0.427	56%	0.561	S	S	.	*	H	α-helix	trans	-70.6	-39.7	176.5	-51	0	0	0	0	112.1	I10 L11 L12 A18	I10-S14 WeakPolarHBondContact O-CB 3.49Å; I10-S14 PolarHBondContact O-N 3.29Å; I10-S14 PolarHBondContact O-OG 3.35Å; L11-S14 PolarHBondContact O-N 3.34Å; L12-S14 VanDerWaalsContact C-N 3.33Å; S14-A18 VanDerWaalsContact O-CB 3.27Å; S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.44Å
15	G	42.6	Very low	44.9	Very low	35 Å²	35	95.2 Å²	95.2	36%	0.361	54%	0.54	S	S	.	.	H	α-helix	trans	-66.2	-43.1	174.3	0	0	0	0	0	112.1	L11 L12 L19	L11-G15 PolarHBondContact O-N 3.04Å; L12-G15 PolarHBondContact O-N 3.45Å; G15-L19 WeakPolarHBondContact O-CB 3.43Å; G15-L19 WeakPolarHBondContact O-CD1 3.4Å; G15-L19 WeakPolarHBondContact O-CG 3.33Å; G15-L19 PolarHBondContact O-N 3.03Å
16	A	41.3	Very low	47.1	Very low	54 Å²	54	95.8 Å²	95.8	45%	0.446	54%	0.54	S	S	.	.	H	α-helix	trans	-66	-41	175.7	0	0	0	0	0	112.6	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.29Å; L12-A16 PolarHBondContact O-N 3.39Å; A16-L19 PolarHBondContact O-N 3.33Å; A16-T20 WeakPolarHBondContact O-CG2 3.34Å; A16-T20 PolarHBondContact O-N 3.34Å; A16-T20 PolarHBondContact O-OG1 3.49Å
17	L	36.5	Very low	49.6	Very low	113 Å²	113	93.7 Å²	93.7	59%	0.592	52%	0.524	S	S	*	.	H	α-helix	trans	-67.5	-39.5	176.8	-80.6	160.5	0	0	0	112.4	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.26Å; L13-L17 WeakPolarHBondContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CD1 3.45Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 2.96Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 2.95Å; L17-T20 WeakPolarHBondContact CA-OG1 3.4Å; L17-T20 PolarHBondContact O-N 3.03Å; L17-T20 PolarHBondContact O-OG1 2.86Å; L17-E21 PolarHBondContact O-N 3.44Å
18	A	37.5	Very low	51.9	Low	60 Å²	60	84.7 Å²	84.7	50%	0.496	49%	0.494	S	S	.	.	H	α-helix	trans	-66.4	-31	173.9	0	0	0	0	0	112.7	S14	S14-A18 VanDerWaalsContact O-CB 3.27Å; S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.44Å
19	L	38.7	Very low	54.2	Low	101 Å²	101	80 Å²	80	53%	0.529	47%	0.465	S	S	.	.	H	α-helix	trans	-79.1	-24.9	175.9	-87.2	154.3	0	0	0	113.4	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.43Å; G15-L19 WeakPolarHBondContact O-CD1 3.4Å; G15-L19 WeakPolarHBondContact O-CG 3.33Å; G15-L19 PolarHBondContact O-N 3.03Å; A16-L19 PolarHBondContact O-N 3.33Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 2.95Å; L19-T22 PolarHBondContact O-OG1 3.47Å; L19-T22 VanDerWaalsContact O-OG1 3.07Å
20	T	37.2	Very low	56.8	Low	92 Å²	92	77.3 Å²	77.3	56%	0.564	45%	0.447	S	S	*	.	H	α-helix	trans	-83	-26.4	174.7	50.6	0	0	0	0	113.5	A16 L17 T22 W23	A16-T20 WeakPolarHBondContact O-CG2 3.34Å; A16-T20 PolarHBondContact O-N 3.34Å; A16-T20 PolarHBondContact O-OG1 3.49Å; L17-T20 WeakPolarHBondContact CA-OG1 3.4Å; L17-T20 PolarHBondContact O-N 3.03Å; L17-T20 PolarHBondContact O-OG1 2.86Å; T20-T22 VanDerWaalsContact C-N 3.25Å; T20-T22 PolarHBondContact O-N 3.27Å; T20-W23 PolarHBondContact O-N 2.91Å
21	E	35.9	Very low	59.2	Low	163 Å²	163	72.9 Å²	72.9	76%	0.762	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-69.2	-20.8	177.3	-94.1	-172.6	158.9	0	0	113.3	L17 W23	L17-E21 PolarHBondContact O-N 3.44Å; E21-W23 PolarHBondContact O-N 2.89Å
22	T	42.2	Very low	61.6	Low	103 Å²	103	70.8 Å²	70.8	63%	0.632	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-78.8	0.8	-179.9	57.5	0	0	0	0	114.4	L19 T20	L19-T22 PolarHBondContact O-OG1 3.47Å; L19-T22 VanDerWaalsContact O-OG1 3.07Å; T20-T22 VanDerWaalsContact C-N 3.25Å; T20-T22 PolarHBondContact O-N 3.27Å
23	W	50.7	Low	64.1	Low	92 Å²	92	65.9 Å²	65.9	35%	0.348	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-116	10.6	-177	-69.5	72.3	0	0	0	113.5	T20 E21 C25 H287 E288 L290	T20-W23 PolarHBondContact O-N 2.91Å; E21-W23 PolarHBondContact O-N 2.89Å; W23-C25 PolarHBondContact O-N 2.9Å; W23-C25 VanDerWaalsContact O-N 3.16Å; W23-H287 VanDerWaalsContact CH2-C 3.44Å; W23-H287 WeakPolarHBondContact CH2-O 3.35Å; W23-H287 WeakPolarHBondContact CZ3-O 3.18Å; W23-E288 HydrophobicContact CE3-CB 4.41Å; W23-E288 HydrophobicContact CE3-CG 4.14Å; W23-E288 HydrophobicContact CZ3-CB 4.41Å; W23-E288 HydrophobicContact CZ3-CG 4.5Å; W23-E288 WeakPolarHBondContact CZ3-O 3.37Å; W23-L290 WeakPolarHBondContact CH2-O 3.42Å; W23-L290 WeakPolarHBondContact CZ3-O 3.47Å
24	A	53.3	Low	67	Low	51 Å²	51	63 Å²	63	42%	0.421	37%	0.369	S	S	.	.	S	Bend	trans	-77.4	103	170	0	0	0	0	0	107.2	S26 P129	A24-S26 PolarHBondContact O-N 3.39Å; A24-P129 HydrophobicContact CB-CB 4.07Å; A24-P129 HydrophobicContact CB-CG 3.21Å
25	C	71.9	Confident	69.6	Low	59 Å²	59	60.1 Å²	60.1	40%	0.399	35%	0.349	S	S	.	.			trans	-49	104.9	-174.1	-58.6	0	0	0	0	111.1	W23 E288	W23-C25 PolarHBondContact O-N 2.9Å; W23-C25 VanDerWaalsContact O-N 3.16Å; C25-E288 PolarHBondContact SG-OE1 2.81Å
26	S	90.6	Very high	72.3	Confident	72 Å²	72	60.9 Å²	60.9	50%	0.503	35%	0.347	S	S	.	.			trans	-94.1	147.7	169.3	68.8	0	0	0	0	108.5	A24 L127	A24-S26 PolarHBondContact O-N 3.39Å; S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.39Å; S26-L127 WeakPolarHBondContact CB-O 3.29Å
27	H	95.3	Very high	75	Confident	31 Å²	31	59.1 Å²	59.1	14%	0.144	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.4	179.6	-68.8	-74.3	0	0	0	110.4	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.49Å; H27-D53 IonicContact CE1-OD2 3.39Å; H27-D53 IonicContact CG-OD2 2.81Å; H27-D53 IonicContact ND1-OD1 3.55Å; H27-D53 IonicContact ND1-OD2 2.72Å; H27-D53 PolarHBondContact ND1-OD2 2.96Å; H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.44Å; H27-L127 PolarHBondContact N-O 2.61Å; H27-L127 VanDerWaalsContact N-O 3.1Å; H27-L127 PolarHBondContact O-N 3.02Å; H27-L192 HydrophobicContact CB-CD1 4.48Å; H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.43Å
28	S	97.4	Very high	77.8	Confident	23 Å²	23	57.4 Å²	57.4	16%	0.161	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.7	179.6	68.6	0	0	0	0	111.8	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.36Å; S28-D53 PolarHBondContact N-OD1 3.13Å; S28-D53 PolarHBondContact O-N 2.93Å; S28-C125 WeakPolarHBondContact CA-O 3.32Å; S28-D126 WeakPolarHBondContact CB-OD1 3.05Å
29	M	98.5	Very high	80.5	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.4	166.5	-176.7	172.5	58.7	0	0	107.9	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CE2 4.01Å; M29-Y31 HydrophobicContact SD-CE2 3.92Å; M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.34Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; M29-F57 HydrophobicContact CG-CE1 4.49Å; M29-F57 HydrophobicContact SD-CZ 4.47Å; M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 2.96Å; M29-C125 PolarHBondContact N-O 3.5Å; M29-C125 PolarHBondContact O-N 2.95Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.3Å; M29-C188 WeakPolarHBondContact CE-SG 3.31Å; M29-W191 HydrophobicContact CE-CB 4.08Å; M29-W191 HydrophobicContact SD-CB 4.45Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.94Å; M29-L192 HydrophobicContact CB-CG 4.22Å; M29-L192 HydrophobicContact CE-CB 4.27Å; M29-L192 HydrophobicContact SD-CB 4.49Å; M29-Y195 HydrophobicContact SD-CD2 3.75Å; M29-Y195 HydrophobicContact SD-CE2 3.58Å; M29-Y195 VanDerWaalsContact SD-CE2 3.58Å
30	R	98.6	Very high	83.1	Confident	48 Å²	48	56.8 Å²	56.8	18%	0.181	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.2	-176.5	-56.5	-62.5	-176.8	78.1	2.9	110.5	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.66Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.34Å; R30-Y51 PolarHBondContact N-O 3.02Å; R30-Y51 PolarHBondContact O-N 3.2Å; R30-D126 IonicContact CZ-OD1 3.11Å; R30-D126 IonicContact NE-OD1 3.89Å; R30-D126 PolarHBondContact NE-OD1 3.36Å; R30-D126 VanDerWaalsContact NE-OD1 3.1Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 2.69Å; R30-D126 PolarHBondContact NH2-OD1 2.81Å; R30-D126 IonicContact NH2-OD2 2.78Å; R30-D126 PolarHBondContact NH2-OD2 3.3Å; R30-Y137 PolarHBondContact NH2-OH 3.07Å
31	Y	98.7	Very high	85.8	Confident	9 Å²	9	62.3 Å²	62.3	4%	0.035	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.5	168.8	-68.4	-91.4	0	0	0	109.6	M29 Y33 V49 F57 V58 M122 S123	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CE2 4.01Å; M29-Y31 HydrophobicContact SD-CE2 3.92Å; Y31-Y33 HydrophobicContact CD1-CE1 4.24Å; Y31-Y33 HydrophobicContact CG-CE1 4.37Å; Y31-V49 WeakPolarHBondContact CA-O 3.24Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.79Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.49Å; Y31-V58 HydrophobicContact CE1-CG1 4Å; Y31-M122 WeakPolarHBondContact O-CA 3.28Å; Y31-S123 PolarHBondContact N-O 3.47Å; Y31-S123 PolarHBondContact O-N 3.1Å
32	F	98.8	Very high	88.5	Confident	83 Å²	83	57.3 Å²	57.3	36%	0.364	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.5	175.7	-57	-93.1	0	0	0	108.9	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.66Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; F32-A48 WeakPolarHBondContact O-CA 3.4Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 PolarHBondContact N-O 3.28Å; F32-V49 PolarHBondContact O-N 2.91Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; F32-R121 WeakPolarHBondContact CA-O 3.21Å; F32-M122 HydrophobicContact CD1-CB 4.03Å; F32-M122 HydrophobicContact CD1-CG 3.71Å; F32-M122 HydrophobicContact CE1-CB 4.14Å; F32-M122 HydrophobicContact CE1-CG 3.42Å; F32-M122 VanDerWaalsContact CE1-CG 3.42Å; F32-M122 HydrophobicContact CZ-CG 4.05Å
33	Y	98.8	Very high	91	Very high	30 Å²	30	56.7 Å²	56.7	12%	0.118	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.1	176.2	-49.9	-35.1	0	0	0	109.4	Y31 F46 I47 A48 Y91 Q94 Q120 R121	Y31-Y33 HydrophobicContact CD1-CE1 4.24Å; Y31-Y33 HydrophobicContact CG-CE1 4.37Å; Y33-F46 HydrophobicContact CD1-CZ 4.2Å; Y33-F46 HydrophobicContact CG-CE2 4.35Å; Y33-F46 HydrophobicContact CG-CZ 4.05Å; Y33-I47 CarbonylContact C-O 3.56Å; Y33-I47 WeakPolarHBondContact CA-O 3.35Å; Y33-A48 HydrophobicContact CD1-CB 3.35Å; Y33-A48 HydrophobicContact CE1-CB 3.67Å; Y33-A48 HydrophobicContact CG-CB 4.45Å; Y33-Y91 HydrophobicContact CE1-CD1 4.4Å; Y33-Y91 HydrophobicContact CE1-CE1 4.01Å; Y33-Q94 HydrophobicContact CD2-CG 3.91Å; Y33-Q94 HydrophobicContact CE2-CG 4.23Å; Y33-Q94 HydrophobicContact CG-CG 4.5Å; Y33-Q120 CarbonylContact O-C 3.48Å; Y33-Q120 VanDerWaalsContact O-CA 3.28Å; Y33-Q120 WeakPolarHBondContact O-CA 3.37Å; Y33-R121 HydrophobicContact CD2-CB 4.23Å; Y33-R121 HydrophobicContact CD2-CG 4.42Å; Y33-R121 PolarHBondContact N-O 2.86Å; Y33-R121 PolarHBondContact O-N 2.95Å
34	T	98.9	Very high	93.2	Very high	41 Å²	41	53.5 Å²	53.5	25%	0.252	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.4	176.4	-56.3	0	0	0	0	109.1	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.96Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; T34-I47 PolarHBondContact N-O 3.48Å; T34-I47 PolarHBondContact O-N 3.33Å; T34-T118 HydrophobicContact CG2-CG2 4.04Å; T34-L119 WeakPolarHBondContact CA-O 3.46Å; T34-Q120 HydrophobicContact CG2-CG 4.04Å
35	A	98.8	Very high	95.4	Very high	2 Å²	2	55.8 Å²	55.8	2%	0.017	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.9	172.9	0	0	0	0	0	109.6	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.23Å; A35-F46 HydrophobicContact CB-CD2 4.22Å; A35-D98 HydrophobicContact CB-CB 3.73Å; A35-L102 HydrophobicContact CB-CD1 3.88Å; A35-T118 WeakPolarHBondContact O-CA 3.18Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 2.81Å; A35-L119 PolarHBondContact O-N 3.5Å
36	V	98.6	Very high	96.7	Very high	51 Å²	51	53.1 Å²	53.1	31%	0.309	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	115.3	-178.8	-173	0	0	0	0	109.3	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 3.96Å; V36-P44 CarbonylContact O-C 3.6Å; V36-P44 WeakPolarHBondContact O-CA 3.38Å; V36-P44 WeakPolarHBondContact O-CB 3.37Å; V36-R45 PolarHBondContact N-O 3.5Å; V36-R45 PolarHBondContact O-N 3.24Å; V36-H117 WeakPolarHBondContact CA-O 3.34Å; V36-T118 HydrophobicContact CG2-CG2 4.3Å
37	S	98.1	Very high	97.1	Very high	17 Å²	17	52.1 Å²	52.1	12%	0.119	28%	0.281	C	S	.	.			trans	-68.8	145.1	174	71.3	0	0	0	0	110.5	S116 H117	S37-S116 PolarHBondContact O-OG 2.92Å; S37-H117 PolarHBondContact N-O 2.67Å; S37-H117 PolarHBondContact OG-N 3.49Å; S37-H117 PolarHBondContact OG-O 3.42Å
38	R	96.5	Very high	97.2	Very high	77 Å²	77	50.6 Å²	50.6	29%	0.291	28%	0.275	S	S	.	.			trans	-137	74.6	-179.7	53.6	175.2	175.8	-161.7	-11.5	111	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.38Å; R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 VanDerWaalsContact CD-O 3.28Å; R38-R41 WeakPolarHBondContact CD-O 3.39Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 3.41Å; R38-R41 VanDerWaalsContact NE-O 3.11Å; R38-R41 PolarHBondContact O-N 2.88Å; R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.87Å; R38-E43 PolarHBondContact NH2-O 3.46Å; R38-D63 IonicContact CZ-OD1 3.49Å; R38-D63 IonicContact CZ-OD2 2.82Å; R38-D63 IonicContact NH1-OD1 2.76Å; R38-D63 PolarHBondContact NH1-OD1 2.88Å; R38-D63 IonicContact NH1-OD2 3.61Å; R38-D63 PolarHBondContact NH1-OD2 3.38Å; R38-D63 IonicContact NH2-OD1 3.49Å; R38-D63 PolarHBondContact NH2-OD1 3.45Å; R38-D63 IonicContact NH2-OD2 3.56Å
39	P	93.6	Very high	97.3	Very high	56 Å²	56	50.9 Å²	50.9	36%	0.364	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	130.6	-176.9	-26.8	34.9	0	0	0	112.1	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.87Å; P39-E113 WeakPolarHBondContact CB-O 3.49Å; P39-E113 WeakPolarHBondContact CG-O 3.37Å; P39-G115 WeakPolarHBondContact CG-O 3.47Å
40	G	92.5	Very high	97.3	Very high	91 Å²	91	50.8 Å²	50.8	94%	0.938	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	0.5	-177.6	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 3.38Å
41	R	94.3	Very high	97.3	Very high	209 Å²	209	51.8 Å²	51.8	79%	0.789	28%	0.279	S	S	*	.	S	Bend	trans	-123.5	25.2	-179.7	-59.2	-174.7	179.2	-173.8	-0.2	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 VanDerWaalsContact CD-O 3.28Å; R38-R41 WeakPolarHBondContact CD-O 3.39Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 3.41Å; R38-R41 VanDerWaalsContact NE-O 3.11Å; R38-R41 PolarHBondContact O-N 2.88Å; P39-R41 PolarHBondContact O-N 2.87Å
42	G	92.6	Very high	97.3	Very high	58 Å²	58	51.3 Å²	51.3	60%	0.598	28%	0.277	S	S	*	.	S	Bend	trans	94.5	-159.8	178.7	0	0	0	0	0	113.9
43	E	95.1	Very high	97.1	Very high	89 Å²	89	48.7 Å²	48.7	42%	0.416	27%	0.267	S	S	.	.	S	Bend	trans	-72.8	155	-177.4	-66	-56.3	161.7	0	0	112.8	R38 R45 R99 R103	R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.87Å; R38-E43 PolarHBondContact NH2-O 3.46Å; E43-R45 PolarHBondContact O-N 2.92Å; E43-R99 IonicContact OE1-CZ 3.49Å; E43-R99 IonicContact OE1-NE 2.99Å; E43-R99 IonicContact OE1-NH2 3.45Å; E43-R99 PolarHBondContact OE1-NH2 2.93Å; E43-R99 WeakPolarHBondContact OE2-CD 3.39Å; E43-R99 IonicContact OE2-CZ 2.67Å; E43-R99 IonicContact OE2-NE 3.45Å; E43-R99 PolarHBondContact OE2-NE 2.86Å; E43-R99 IonicContact OE2-NH2 2.76Å; E43-R99 PolarHBondContact OE2-NH2 2.93Å; E43-R103 IonicContact OE2-NH2 3.48Å
44	P	97.5	Very high	97	Very high	26 Å²	26	50.3 Å²	50.3	17%	0.169	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-51.5	132.1	174.4	-26	34.7	0	0	0	111.8	V36 R99 L102	V36-P44 CarbonylContact O-C 3.6Å; V36-P44 WeakPolarHBondContact O-CA 3.38Å; V36-P44 WeakPolarHBondContact O-CB 3.37Å; P44-R99 HydrophobicContact CG-CB 4.37Å; P44-R99 HydrophobicContact CG-CG 4.2Å; P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.85Å
45	R	98.4	Very high	96.9	Very high	99 Å²	99	49.4 Å²	49.4	37%	0.374	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	131	173.3	-176.9	179.9	-178.2	-173.2	-1.7	108.4	A35 V36 E43 I47 D61 D63	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.23Å; V36-R45 PolarHBondContact N-O 3.5Å; V36-R45 PolarHBondContact O-N 3.24Å; E43-R45 PolarHBondContact O-N 2.92Å; R45-I47 HydrophobicContact CG-CG1 4.34Å; R45-D61 IonicContact CZ-OD1 3.87Å; R45-D61 IonicContact CZ-OD2 2.72Å; R45-D61 IonicContact NE-OD1 3.22Å; R45-D61 PolarHBondContact NE-OD1 2.97Å; R45-D61 IonicContact NE-OD2 3.4Å; R45-D61 PolarHBondContact NE-OD2 3.22Å; R45-D61 IonicContact NH2-OD1 3.15Å; R45-D61 IonicContact NH2-OD2 3.7Å; R45-D61 PolarHBondContact NH2-OD2 3.26Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.4Å; R45-D63 IonicContact NE-OD2 2.71Å
46	F	98.8	Very high	96.8	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.013	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.1	178.3	176.7	-92.3	0	0	0	110	Y33 T34 A35 A48 F60 S62 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.2Å; Y33-F46 HydrophobicContact CG-CE2 4.35Å; Y33-F46 HydrophobicContact CG-CZ 4.05Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; A35-F46 HydrophobicContact CB-CD2 4.22Å; F46-A48 HydrophobicContact CE1-CB 3.8Å; F46-A48 HydrophobicContact CZ-CB 4.06Å; F46-F60 AromaticContact CD1-CD1 3.75Å; F46-F60 HydrophobicContact CD1-CD1 3.75Å; F46-F60 AromaticContact CD1-CE1 3.8Å; F46-F60 HydrophobicContact CD1-CE1 3.8Å; F46-F60 AromaticContact CE1-CD1 3.98Å; F46-F60 HydrophobicContact CE1-CD1 3.98Å; F46-F60 HydrophobicContact CE1-CE1 4.3Å; F46-S62 PolarHBondContact N-OG 3.06Å; F46-S62 PolarHBondContact O-N 2.89Å; F46-S62 PolarHBondContact O-OG 2.94Å; F46-Q94 HydrophobicContact CE2-CB 4.33Å; F46-Q94 HydrophobicContact CE2-CG 3.76Å; F46-Q94 HydrophobicContact CZ-CB 3.94Å; F46-Q94 HydrophobicContact CZ-CG 3.66Å; F46-A95 HydrophobicContact CB-CB 3.68Å; F46-A95 HydrophobicContact CD1-CB 3.73Å; F46-A95 HydrophobicContact CD2-CB 4.08Å; F46-A95 HydrophobicContact CE1-CB 4.39Å; F46-A95 HydrophobicContact CG-CB 3.55Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.47Å
47	I	98.8	Very high	96.8	Very high	50 Å²	50	49.3 Å²	49.3	26%	0.256	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.4	176.2	-57.3	172.8	0	0	0	108	Y33 T34 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.56Å; Y33-I47 WeakPolarHBondContact CA-O 3.35Å; T34-I47 PolarHBondContact N-O 3.48Å; T34-I47 PolarHBondContact O-N 3.33Å; R45-I47 HydrophobicContact CG-CG1 4.34Å; I47-V49 HydrophobicContact CG2-CG1 4.48Å; I47-F60 WeakPolarHBondContact CA-O 3.47Å
48	A	98.8	Very high	96.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.4	170.4	0	0	0	0	0	110.2	F32 Y33 F46 Q59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.4Å; Y33-A48 HydrophobicContact CD1-CB 3.35Å; Y33-A48 HydrophobicContact CE1-CB 3.67Å; Y33-A48 HydrophobicContact CG-CB 4.45Å; F46-A48 HydrophobicContact CE1-CB 3.8Å; F46-A48 HydrophobicContact CZ-CB 4.06Å; A48-Q59 CarbonylContact O-C 3.57Å; A48-Q59 VanDerWaalsContact O-CA 3.31Å; A48-Q59 WeakPolarHBondContact O-CA 3.45Å; A48-F60 HydrophobicContact CB-CB 4.23Å; A48-F60 PolarHBondContact N-O 2.95Å; A48-F60 PolarHBondContact O-N 3.45Å; A48-Y91 HydrophobicContact CB-CD1 3.62Å; A48-Y91 HydrophobicContact CB-CE1 3.65Å; A48-Y91 HydrophobicContact CB-CG 4.43Å
49	V	98.8	Very high	96.8	Very high	28 Å²	28	47.3 Å²	47.3	17%	0.17	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.6	171.6	-63.8	0	0	0	0	109.6	Y31 F32 I47 Y51 V58 Q59	Y31-V49 WeakPolarHBondContact CA-O 3.24Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 PolarHBondContact N-O 3.28Å; F32-V49 PolarHBondContact O-N 2.91Å; I47-V49 HydrophobicContact CG2-CG1 4.48Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; V49-V58 WeakPolarHBondContact CA-O 3.49Å; V49-Q59 HydrophobicContact CG1-CB 4.49Å; V49-Q59 HydrophobicContact CG1-CG 4.11Å
50	G	98.6	Very high	97.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.4	176.3	0	0	0	0	0	110.9	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.34Å; G50-Q56 WeakPolarHBondContact O-CA 3.47Å; G50-F57 WeakPolarHBondContact O-CD1 3.47Å; G50-F57 PolarHBondContact O-N 3.28Å; G50-V58 PolarHBondContact N-O 3.18Å; G50-V58 PolarHBondContact O-N 2.93Å
51	Y	98.6	Very high	97.4	Very high	68 Å²	68	42 Å²	42	27%	0.267	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142.9	-179.8	-75.1	-102.8	0	0	0	110.2	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.34Å; R30-Y51 PolarHBondContact N-O 3.02Å; R30-Y51 PolarHBondContact O-N 3.2Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; Y51-T55 WeakPolarHBondContact CA-O 3.42Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.19Å; Y51-Q56 HydrophobicContact CE2-CB 4.11Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Y51-Q56 PolarHBondContact OH-OE1 3.04Å
52	V	98.1	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.5	156.2	177.4	0	0	0	0	106	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.36Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; V52-D54 PolarHBondContact O-N 3.37Å; V52-T55 PolarHBondContact N-O 3.36Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 3.44Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; V52-W75 HydrophobicContact CB-CH2 4.39Å; V52-W75 HydrophobicContact CB-CZ2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.88Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-Y195 HydrophobicContact CG2-CD2 3.91Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.24Å; V52-L203 HydrophobicContact CB-CD2 4.11Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CG 4.48Å
53	D	95.6	Very high	97.8	Very high	27 Å²	27	34.2 Å²	34.2	14%	0.144	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	-124.9	-166.5	-52.1	-38.9	0	0	0	110.4	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.49Å; H27-D53 IonicContact CE1-OD2 3.39Å; H27-D53 IonicContact CG-OD2 2.81Å; H27-D53 IonicContact ND1-OD1 3.55Å; H27-D53 IonicContact ND1-OD2 2.72Å; H27-D53 PolarHBondContact ND1-OD2 2.96Å; S28-D53 PolarHBondContact N-OD1 3.13Å; S28-D53 PolarHBondContact O-N 2.93Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	95.5	Very high	97.9	Very high	64 Å²	64	31.7 Å²	31.7	34%	0.342	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	8	178.6	-59.5	-55.5	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.37Å; D54-Y233 HydrophobicContact CB-CE2 4.13Å; D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.2Å; D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.27Å; D54-A235 PolarHBondContact OD2-N 3.44Å; D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.67Å
55	T	96.4	Very high	97.9	Very high	23 Å²	23	36 Å²	36	14%	0.141	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.6	-177.3	-60.6	0	0	0	0	111.7	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.42Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 3.36Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 3.44Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 2.86Å; T55-A73 HydrophobicContact CG2-CB 4.43Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; T55-Y233 PolarHBondContact OG1-OH 2.69Å
56	Q	97.4	Very high	97.7	Very high	51 Å²	51	35.2 Å²	35.2	24%	0.238	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.8	172.4	-165.6	-178.5	-5.8	0	0	110.2	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.47Å; Y51-Q56 HydrophobicContact CD1-CB 3.98Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.19Å; Y51-Q56 HydrophobicContact CE2-CB 4.11Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Y51-Q56 PolarHBondContact OH-OE1 3.04Å; Q56-V58 PolarHBondContact NE2-O 2.69Å; Q56-R72 HydrophobicContact CB-CB 4.5Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.4Å; Q56-R72 CarbonylContact O-C 3.57Å
57	F	98	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	-19	180	76.9	-88.7	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.49Å; M29-F57 HydrophobicContact SD-CZ 4.47Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 AromaticContact CZ-CZ 3.79Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.49Å; G50-F57 WeakPolarHBondContact O-CD1 3.47Å; G50-F57 PolarHBondContact O-N 3.28Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; T55-F57 PolarHBondContact O-N 2.86Å; F57-R72 PolarHBondContact O-N 2.93Å; F57-A73 HydrophobicContact CB-CB 4.02Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 3.94Å; F57-W75 AromaticContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD1-CH2 3.94Å; F57-W75 AromaticContact CD2-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CZ3 4.18Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.11Å; F57-W75 HydrophobicContact CG-CZ3 4.12Å; F57-V76 HydrophobicContact CB-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CB 4.37Å; F57-V76 HydrophobicContact CD2-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.01Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.1Å; F57-Y195 HydrophobicContact CE2-CD2 4.46Å; F57-Y195 AromaticContact CE2-CE2 3.76Å; F57-Y195 HydrophobicContact CE2-CE2 3.76Å; F57-Y195 AromaticContact CE2-CZ 3.95Å; F57-Y195 HydrophobicContact CZ-CD2 4.34Å; F57-Y195 AromaticContact CZ-CE2 3.74Å; F57-Y195 HydrophobicContact CZ-CE2 3.74Å
58	V	98.3	Very high	97.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.8	179.2	65.8	0	0	0	0	111.7	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4Å; V49-V58 WeakPolarHBondContact CA-O 3.49Å; G50-V58 PolarHBondContact N-O 3.18Å; G50-V58 PolarHBondContact O-N 2.93Å; Q56-V58 PolarHBondContact NE2-O 2.69Å; V58-E70 WeakPolarHBondContact CA-O 3.43Å; V58-W84 HydrophobicContact CG2-CZ3 4.02Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.23Å; V58-Y91 HydrophobicContact CG2-CE2 4.22Å
59	Q	98.2	Very high	97.5	Very high	51 Å²	51	41.5 Å²	41.5	24%	0.238	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.6	170.5	-174.3	170.5	26.2	0	0	111.4	A48 V49 G69 E70 R72	A48-Q59 CarbonylContact O-C 3.57Å; A48-Q59 VanDerWaalsContact O-CA 3.31Å; A48-Q59 WeakPolarHBondContact O-CA 3.45Å; V49-Q59 HydrophobicContact CG1-CB 4.49Å; V49-Q59 HydrophobicContact CG1-CG 4.11Å; Q59-G69 WeakPolarHBondContact O-CA 3.31Å; Q59-E70 PolarHBondContact N-O 3.36Å; Q59-E70 PolarHBondContact O-N 2.98Å; Q59-R72 HydrophobicContact CB-CG 3.95Å
60	F	98.8	Very high	97.5	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.022	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	139	166.1	175.3	-82	0	0	0	109.1	F46 I47 A48 P67 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.75Å; F46-F60 HydrophobicContact CD1-CD1 3.75Å; F46-F60 AromaticContact CD1-CE1 3.8Å; F46-F60 HydrophobicContact CD1-CE1 3.8Å; F46-F60 AromaticContact CE1-CD1 3.98Å; F46-F60 HydrophobicContact CE1-CD1 3.98Å; F46-F60 HydrophobicContact CE1-CE1 4.3Å; I47-F60 WeakPolarHBondContact CA-O 3.47Å; A48-F60 HydrophobicContact CB-CB 4.23Å; A48-F60 PolarHBondContact N-O 2.95Å; A48-F60 PolarHBondContact O-N 3.45Å; F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; F60-Y91 HydrophobicContact CB-CD1 4.42Å; F60-Y91 HydrophobicContact CB-CD2 3.6Å; F60-Y91 HydrophobicContact CB-CE2 4.07Å; F60-Y91 HydrophobicContact CB-CG 3.81Å; F60-Y91 HydrophobicContact CD1-CG 4.4Å; F60-Y91 AromaticContact CD2-CD2 3.77Å; F60-Y91 HydrophobicContact CD2-CD2 3.77Å; F60-Y91 HydrophobicContact CD2-CG 4.02Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.83Å; F60-Y91 HydrophobicContact CG-CG 3.83Å; F60-K92 HydrophobicContact CE2-CG 4.27Å; F60-K92 HydrophobicContact CZ-CG 4.05Å
61	D	98.6	Very high	97.4	Very high	32 Å²	32	45 Å²	45	17%	0.171	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.9	173	-169.8	-14.4	0	0	0	109.8	R45 D63 A64	R45-D61 IonicContact CZ-OD1 3.87Å; R45-D61 IonicContact CZ-OD2 2.72Å; R45-D61 IonicContact NE-OD1 3.22Å; R45-D61 PolarHBondContact NE-OD1 2.97Å; R45-D61 IonicContact NE-OD2 3.4Å; R45-D61 PolarHBondContact NE-OD2 3.22Å; R45-D61 IonicContact NH2-OD1 3.15Å; R45-D61 IonicContact NH2-OD2 3.7Å; R45-D61 PolarHBondContact NH2-OD2 3.26Å; D61-D63 PolarHBondContact O-N 2.91Å; D61-D63 PolarHBondContact OD1-N 3.4Å; D61-A64 HydrophobicContact CB-CB 4.44Å; D61-A64 WeakPolarHBondContact O-CB 3.32Å; D61-A64 PolarHBondContact O-N 2.8Å
62	S	98.3	Very high	97.4	Very high	34 Å²	34	47.2 Å²	47.2	24%	0.238	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.9	178.3	67.2	0	0	0	0	113.6	F46 P67	F46-S62 PolarHBondContact N-OG 3.06Å; F46-S62 PolarHBondContact O-N 2.89Å; F46-S62 PolarHBondContact O-OG 2.94Å; S62-P67 WeakPolarHBondContact O-CG 3.46Å
63	D	97.6	Very high	97.3	Very high	68 Å²	68	47.5 Å²	47.5	36%	0.364	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.9	-179.6	-77.5	5	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.49Å; R38-D63 IonicContact CZ-OD2 2.82Å; R38-D63 IonicContact NH1-OD1 2.76Å; R38-D63 PolarHBondContact NH1-OD1 2.88Å; R38-D63 IonicContact NH1-OD2 3.61Å; R38-D63 PolarHBondContact NH1-OD2 3.38Å; R38-D63 IonicContact NH2-OD1 3.49Å; R38-D63 PolarHBondContact NH2-OD1 3.45Å; R38-D63 IonicContact NH2-OD2 3.56Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.4Å; R45-D63 IonicContact NE-OD2 2.71Å; D61-D63 PolarHBondContact O-N 2.91Å; D61-D63 PolarHBondContact OD1-N 3.4Å
64	A	97.2	Very high	97.3	Very high	36 Å²	36	50.9 Å²	50.9	30%	0.298	29%	0.29	S	S	.	.	S	Bend	trans	-61.4	148.7	172.8	0	0	0	0	0	110.9	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.44Å; D61-A64 WeakPolarHBondContact O-CB 3.32Å; D61-A64 PolarHBondContact O-N 2.8Å; A64-S66 PolarHBondContact O-N 2.81Å; A64-S66 VanDerWaalsContact O-N 3.15Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 3.42Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.47Å
65	A	96.7	Very high	97.3	Very high	117 Å²	117	48.6 Å²	48.6	97%	0.967	28%	0.277	S	S	*	.	S	Bend	trans	-58	-32.1	-179.9	0	0	0	0	0	113
66	S	95.9	Very high	97.3	Very high	82 Å²	82	47.5 Å²	47.5	57%	0.573	27%	0.27	S	S	*	.	S	Bend	trans	-133.4	90	171.3	-173	0	0	0	0	109.3	A64 R68	A64-S66 PolarHBondContact O-N 2.81Å; A64-S66 VanDerWaalsContact O-N 3.15Å; S66-R68 PolarHBondContact O-N 3.04Å
67	P	96.9	Very high	97.2	Very high	35 Å²	35	50.8 Å²	50.8	23%	0.227	29%	0.286	C	S	.	.			trans	-64.1	110.8	-175	-24.5	35.5	0	0	0	112.1	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; S62-P67 WeakPolarHBondContact O-CG 3.46Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 3.42Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.47Å; P67-K92 WeakPolarHBondContact O-CE 3.19Å; P67-K92 PolarHBondContact O-NZ 3.22Å
68	R	97.6	Very high	97	Very high	146 Å²	146	56.7 Å²	56.7	55%	0.551	31%	0.313	S	S	*	.			trans	-144.9	158.5	177.6	64.8	-176.2	175.9	177.8	-0.1	110.7	S66 E70 T88	S66-R68 PolarHBondContact O-N 3.04Å; R68-E70 HydrophobicContact CG-CG 4.24Å; R68-E70 PolarHBondContact O-N 2.91Å; R68-T88 HydrophobicContact CB-CG2 4.25Å
69	G	97.1	Very high	97	Very high	5 Å²	5	57.2 Å²	57.2	5%	0.052	32%	0.316	C	S	.	.			trans	-65.9	128.1	168.1	0	0	0	0	0	109.3	Q59 T88	Q59-G69 WeakPolarHBondContact O-CA 3.31Å; G69-T88 PolarHBondContact N-OG1 2.87Å
70	E	97.5	Very high	96.8	Very high	57 Å²	57	56.1 Å²	56.1	27%	0.266	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.5	-179.8	-61.8	-171.1	156.9	0	0	110.1	V58 Q59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.43Å; Q59-E70 PolarHBondContact N-O 3.36Å; Q59-E70 PolarHBondContact O-N 2.98Å; R68-E70 HydrophobicContact CG-CG 4.24Å; R68-E70 PolarHBondContact O-N 2.91Å; E70-R72 IonicContact OE2-CZ 2.62Å; E70-R72 IonicContact OE2-NH1 3.54Å; E70-R72 PolarHBondContact OE2-NH1 3.3Å; E70-R72 IonicContact OE2-NH2 3.27Å; E70-R72 PolarHBondContact OE2-NH2 3.05Å
71	P	97.8	Very high	96.7	Very high	45 Å²	45	60.2 Å²	60.2	29%	0.292	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	144	172.2	28.2	-33.1	0	0	0	110.8	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.72Å; P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 3.82Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å
72	R	97.3	Very high	96.7	Very high	114 Å²	114	65.9 Å²	65.9	43%	0.43	37%	0.37	S	S	.	.			trans	-125.6	0.3	173.5	-64.2	-65.1	-177.3	-127.7	-2.9	113.2	Q56 F57 Q59 E70	Q56-R72 HydrophobicContact CB-CB 4.5Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.4Å; Q56-R72 CarbonylContact O-C 3.57Å; F57-R72 PolarHBondContact O-N 2.93Å; Q59-R72 HydrophobicContact CB-CG 3.95Å; E70-R72 IonicContact OE2-CZ 2.62Å; E70-R72 IonicContact OE2-NH1 3.54Å; E70-R72 PolarHBondContact OE2-NH1 3.3Å; E70-R72 IonicContact OE2-NH2 3.27Å; E70-R72 PolarHBondContact OE2-NH2 3.05Å
73	A	95.9	Very high	96.6	Very high	5 Å²	5	64.6 Å²	64.6	4%	0.041	36%	0.36	C	S	.	.	S	Bend	trans	-138.8	141.9	173.7	0	0	0	0	0	111.1	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.43Å; F57-A73 HydrophobicContact CB-CB 4.02Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.17Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 3.96Å; A73-W75 PolarHBondContact O-N 2.87Å; A73-V76 WeakPolarHBondContact O-CG1 3.42Å; A73-V76 PolarHBondContact O-N 3.03Å
74	P	96	Very high	96.6	Very high	99 Å²	99	63.1 Å²	63.1	64%	0.643	35%	0.35	S	S	*	.	H	α-helix	trans	-58.5	-35.1	-176.2	-27.1	34.9	0	0	0	114.4	V76 E77	P74-V76 PolarHBondContact O-N 2.85Å; P74-E77 WeakPolarHBondContact O-CB 3.48Å; P74-E77 PolarHBondContact O-N 2.75Å; P74-E77 VanDerWaalsContact O-N 3.16Å
75	W	95.7	Very high	96.7	Very high	15 Å²	15	66.6 Å²	66.6	6%	0.057	36%	0.363	C	S	.	.	H	α-helix	trans	-71.3	-12.4	-175.7	52.6	-105.6	0	0	0	114.4	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.39Å; V52-W75 HydrophobicContact CB-CZ2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.88Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 3.94Å; F57-W75 AromaticContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD1-CH2 3.94Å; F57-W75 AromaticContact CD2-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CZ3 4.18Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.11Å; F57-W75 HydrophobicContact CG-CZ3 4.12Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.17Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 3.96Å; A73-W75 PolarHBondContact O-N 2.87Å; W75-Q78 WeakPolarHBondContact O-CG 3.44Å; W75-Y195 HydrophobicContact CE3-CD1 4.35Å; W75-Y195 HydrophobicContact CH2-CG 4.18Å; W75-Y195 AromaticContact CZ3-CD1 3.67Å; W75-Y195 HydrophobicContact CZ3-CD1 3.67Å; W75-Y195 HydrophobicContact CZ3-CD2 4.31Å; W75-Y195 HydrophobicContact CZ3-CE1 4.4Å; W75-Y195 AromaticContact CZ3-CG 3.63Å; W75-Y195 HydrophobicContact CZ3-CG 3.63Å; W75-N198 HydrophobicContact CB-CB 4.5Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.35Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.08Å; W75-L203 HydrophobicContact CZ2-CG 4.37Å
76	V	97.1	Very high	96.7	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-96.9	-14.7	173.5	77	0	0	0	0	112.2	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CB 4.37Å; F57-V76 HydrophobicContact CD2-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.01Å; F57-V76 VanDerWaalsContact O-CG1 3.3Å; F57-V76 WeakPolarHBondContact O-CG1 3.1Å; P71-V76 HydrophobicContact CB-CG1 3.72Å; A73-V76 WeakPolarHBondContact O-CG1 3.42Å; A73-V76 PolarHBondContact O-N 3.03Å; P74-V76 PolarHBondContact O-N 2.85Å; V76-Q78 PolarHBondContact O-N 2.63Å; V76-E79 HydrophobicContact CG2-CG 3.92Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.45Å; V76-E79 WeakPolarHBondContact O-CG 3.44Å; V76-E79 PolarHBondContact O-N 2.82Å; V76-Y83 HydrophobicContact CG2-CE1 4.24Å; V76-W84 HydrophobicContact CG1-CH2 4.03Å; V76-W84 HydrophobicContact CG1-CZ2 4.17Å; V76-W84 HydrophobicContact CG2-CH2 4.17Å; V76-W84 HydrophobicContact CG2-CZ2 4.17Å; V76-W84 WeakPolarHBondContact O-CZ2 3.19Å; V76-Y195 HydrophobicContact CG2-CE1 4.32Å
77	E	95.4	Very high	96.8	Very high	121 Å²	121	62.5 Å²	62.5	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-64.1	-25.3	179.3	-65.5	-180	-176.4	0	0	112.6	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P74-E77 WeakPolarHBondContact O-CB 3.48Å; P74-E77 PolarHBondContact O-N 2.75Å; P74-E77 VanDerWaalsContact O-N 3.16Å; E77-E79 PolarHBondContact O-N 3.49Å
78	Q	94.3	Very high	96.8	Very high	124 Å²	124	61.3 Å²	61.3	58%	0.579	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.2	175	67.3	180	13.6	0	0	114	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.44Å; V76-Q78 PolarHBondContact O-N 2.63Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 3.5Å; Q78-N198 PolarHBondContact NE2-OD1 2.73Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.16Å
79	E	96.5	Very high	96.9	Very high	11 Å²	11	59.3 Å²	59.3	5%	0.051	30%	0.3	C	S	.	.	S	Bend	trans	-66.7	135.6	174.7	-65.7	-63.1	159.4	0	0	110.7	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.92Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.45Å; V76-E79 WeakPolarHBondContact O-CG 3.44Å; V76-E79 PolarHBondContact O-N 2.82Å; E77-E79 PolarHBondContact O-N 3.49Å; E79-Y83 HydrophobicContact CB-CD1 3.54Å; E79-Y83 HydrophobicContact CB-CD2 4.48Å; E79-Y83 HydrophobicContact CB-CE1 4.15Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CD2 4.46Å; E79-Y83 HydrophobicContact CG-CE1 4.32Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; E79-W84 PolarHBondContact O-NE1 2.78Å; E79-W84 VanDerWaalsContact O-NE1 3.07Å; E79-R194 IonicContact OE1-CZ 2.76Å; E79-R194 IonicContact OE1-NE 2.75Å; E79-R194 PolarHBondContact OE1-NE 3Å; E79-R194 IonicContact OE1-NH2 3.24Å; E79-R194 PolarHBondContact OE1-NH2 2.94Å; E79-R194 IonicContact OE2-CZ 3.51Å; E79-R194 IonicContact OE2-NE 3.36Å; E79-R194 IonicContact OE2-NH2 3.34Å; E79-R194 PolarHBondContact OE2-NH2 3.18Å; E79-N198 PolarHBondContact OE1-ND2 2.86Å
80	G	95.8	Very high	96.9	Very high	28 Å²	28	62.5 Å²	62.5	29%	0.289	31%	0.312	S	S	.	.			trans	-69.8	170.1	-174.2	0	0	0	0	0	114.4	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.35Å; G80-Y83 WeakPolarHBondContact O-CB 3.31Å; G80-Y83 PolarHBondContact O-N 2.94Å; G80-Y83 VanDerWaalsContact O-N 3.08Å; G80-W84 PolarHBondContact O-N 3.25Å
81	P	96.7	Very high	96.9	Very high	90 Å²	90	59.9 Å²	59.9	58%	0.584	30%	0.3	S	S	*	.	H	α-helix	trans	-58.3	-34.1	-179.3	23.9	-33.7	0	0	0	113	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.04Å; P81-W84 PolarHBondContact O-N 2.88Å; P81-D85 WeakPolarHBondContact O-CB 3.36Å; P81-D85 PolarHBondContact O-N 3.22Å
82	E	97.3	Very high	96.9	Very high	152 Å²	152	61.8 Å²	61.8	71%	0.71	30%	0.304	S	S	*	.	H	α-helix	trans	-64.7	-31.6	179.3	-54.6	108.6	171.8	0	0	112.6	G80 R86	G80-E82 PolarHBondContact O-N 3.35Å; E82-R86 WeakPolarHBondContact O-CB 3.25Å; E82-R86 PolarHBondContact O-N 3.09Å
83	Y	97.2	Very high	97	Very high	7 Å²	7	64 Å²	64	3%	0.027	31%	0.312	C	S	.	.	H	α-helix	trans	-64.2	-52.6	173.5	169	-92.1	0	0	0	110.1	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.24Å; E79-Y83 HydrophobicContact CB-CD1 3.54Å; E79-Y83 HydrophobicContact CB-CD2 4.48Å; E79-Y83 HydrophobicContact CB-CE1 4.15Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CD2 4.46Å; E79-Y83 HydrophobicContact CG-CE1 4.32Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; G80-Y83 WeakPolarHBondContact O-CB 3.31Å; G80-Y83 PolarHBondContact O-N 2.94Å; G80-Y83 VanDerWaalsContact O-N 3.08Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.04Å; Y83-D85 PolarHBondContact O-N 3.3Å; Y83-R86 PolarHBondContact O-N 2.83Å; Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.17Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.72Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.33Å; Y83-E87 PolarHBondContact O-N 3.11Å; Y83-W191 AromaticContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CZ2 4.27Å; Y83-W191 AromaticContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 AromaticContact CE2-CH2 3.9Å; Y83-W191 HydrophobicContact CE2-CH2 3.9Å; Y83-W191 AromaticContact CE2-CZ3 3.68Å; Y83-W191 HydrophobicContact CE2-CZ3 3.68Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.37Å; Y83-Y195 PolarHBondContact OH-OH 2.99Å
84	W	97.8	Very high	97.1	Very high	37 Å²	37	65.2 Å²	65.2	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-39.2	-177.1	-68.1	112.3	0	0	0	113	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.02Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 3.82Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å; V76-W84 HydrophobicContact CG1-CH2 4.03Å; V76-W84 HydrophobicContact CG1-CZ2 4.17Å; V76-W84 HydrophobicContact CG2-CH2 4.17Å; V76-W84 HydrophobicContact CG2-CZ2 4.17Å; V76-W84 WeakPolarHBondContact O-CZ2 3.19Å; E79-W84 PolarHBondContact O-NE1 2.78Å; E79-W84 VanDerWaalsContact O-NE1 3.07Å; G80-W84 PolarHBondContact O-N 3.25Å; P81-W84 PolarHBondContact O-N 2.88Å; W84-T88 WeakPolarHBondContact O-CB 3.21Å; W84-T88 PolarHBondContact O-N 3.21Å; W84-T88 PolarHBondContact O-OG1 3.04Å
85	D	97.8	Very high	97.2	Very high	108 Å²	108	61.4 Å²	61.4	58%	0.578	29%	0.293	S	S	*	.	H	α-helix	trans	-63.9	-46.7	174.5	-75.7	-21.4	0	0	0	110.9	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.36Å; P81-D85 PolarHBondContact O-N 3.22Å; Y83-D85 PolarHBondContact O-N 3.3Å; D85-T88 PolarHBondContact O-N 2.93Å; D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.42Å; D85-Q89 PolarHBondContact O-N 2.89Å
86	R	97.3	Very high	97.3	Very high	103 Å²	103	65.8 Å²	65.8	39%	0.389	32%	0.315	S	S	.	.	H	α-helix	trans	-62.7	-46.3	179	-175.8	-177.6	66.3	-146	-6.3	112.1	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.25Å; E82-R86 PolarHBondContact O-N 3.09Å; Y83-R86 PolarHBondContact O-N 2.83Å; R86-Q89 PolarHBondContact O-N 3.05Å; R86-K90 WeakPolarHBondContact O-CG 2.94Å; R86-K90 PolarHBondContact O-N 2.82Å
87	E	97.1	Very high	97.3	Very high	10 Å²	10	69 Å²	69	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-66.1	-42.1	178.4	-65.3	-42.7	118.8	0	0	111.2	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.17Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.72Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.33Å; Y83-E87 PolarHBondContact O-N 3.11Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 2.8Å; E87-K90 WeakPolarHBondContact O-CB 3.11Å; E87-K90 PolarHBondContact O-N 2.94Å; E87-K90 VanDerWaalsContact O-N 3.1Å; E87-K90 IonicContact OE1-NZ 4Å; E87-K90 PolarHBondContact OE1-NZ 3.29Å; E87-K90 WeakPolarHBondContact OE2-CD 3.03Å; E87-K90 IonicContact OE2-NZ 3.21Å; E87-K90 PolarHBondContact OE2-NZ 3.06Å; E87-Y91 HydrophobicContact CB-CE2 4.06Å; E87-Y91 WeakPolarHBondContact O-CD2 3.32Å; E87-Y91 PolarHBondContact O-N 2.92Å
88	T	98.3	Very high	97.5	Very high	11 Å²	11	63.3 Å²	63.3	7%	0.067	31%	0.308	C	S	.	.	H	α-helix	trans	-56.5	-45.1	173.7	-64.5	0	0	0	0	111.9	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.25Å; G69-T88 PolarHBondContact N-OG1 2.87Å; W84-T88 WeakPolarHBondContact O-CB 3.21Å; W84-T88 PolarHBondContact O-N 3.21Å; W84-T88 PolarHBondContact O-OG1 3.04Å; D85-T88 PolarHBondContact O-N 2.93Å; T88-Y91 PolarHBondContact O-N 2.83Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.47Å; T88-K92 PolarHBondContact O-N 2.86Å
89	Q	98.3	Very high	97.7	Very high	104 Å²	104	60.4 Å²	60.4	49%	0.486	29%	0.292	S	S	.	.	H	α-helix	trans	-67.5	-35.1	177.4	-68.1	-58.5	-26.7	0	0	112.6	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.42Å; D85-Q89 PolarHBondContact O-N 2.89Å; R86-Q89 PolarHBondContact O-N 3.05Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 2.8Å; Q89-R93 WeakPolarHBondContact O-CB 3.39Å; Q89-R93 WeakPolarHBondContact O-CG 3.3Å; Q89-R93 PolarHBondContact O-N 2.68Å
90	K	97.2	Very high	97.7	Very high	71 Å²	71	62.8 Å²	62.8	31%	0.309	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-47.9	172.1	-74.3	170.7	177.6	174.1	0	111.1	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 2.94Å; R86-K90 PolarHBondContact O-N 2.82Å; E87-K90 WeakPolarHBondContact O-CB 3.11Å; E87-K90 PolarHBondContact O-N 2.94Å; E87-K90 VanDerWaalsContact O-N 3.1Å; E87-K90 IonicContact OE1-NZ 4Å; E87-K90 PolarHBondContact OE1-NZ 3.29Å; E87-K90 WeakPolarHBondContact OE2-CD 3.03Å; E87-K90 IonicContact OE2-NZ 3.21Å; E87-K90 PolarHBondContact OE2-NZ 3.06Å; K90-K92 PolarHBondContact O-N 2.88Å; K90-R93 PolarHBondContact O-N 2.86Å; K90-Q94 WeakPolarHBondContact O-CB 3.44Å; K90-Q94 PolarHBondContact O-N 3.31Å
91	Y	98.4	Very high	97.8	Very high	3 Å²	3	63.3 Å²	63.3	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-43.6	177.8	-62.6	-48.3	0	0	0	112.3	Y33 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.4Å; Y33-Y91 HydrophobicContact CE1-CE1 4.01Å; A48-Y91 HydrophobicContact CB-CD1 3.62Å; A48-Y91 HydrophobicContact CB-CE1 3.65Å; A48-Y91 HydrophobicContact CB-CG 4.43Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.23Å; V58-Y91 HydrophobicContact CG2-CE2 4.22Å; F60-Y91 HydrophobicContact CB-CD1 4.42Å; F60-Y91 HydrophobicContact CB-CD2 3.6Å; F60-Y91 HydrophobicContact CB-CE2 4.07Å; F60-Y91 HydrophobicContact CB-CG 3.81Å; F60-Y91 HydrophobicContact CD1-CG 4.4Å; F60-Y91 AromaticContact CD2-CD2 3.77Å; F60-Y91 HydrophobicContact CD2-CD2 3.77Å; F60-Y91 HydrophobicContact CD2-CG 4.02Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.83Å; F60-Y91 HydrophobicContact CG-CG 3.83Å; E87-Y91 HydrophobicContact CB-CE2 4.06Å; E87-Y91 WeakPolarHBondContact O-CD2 3.32Å; E87-Y91 PolarHBondContact O-N 2.92Å; T88-Y91 PolarHBondContact O-N 2.83Å; Y91-R93 PolarHBondContact O-N 2.98Å; Y91-Q94 PolarHBondContact O-N 2.82Å; Y91-A95 WeakPolarHBondContact O-CB 3.39Å; Y91-A95 PolarHBondContact O-N 2.99Å
92	K	98.3	Very high	97.9	Very high	85 Å²	85	59.4 Å²	59.4	37%	0.37	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-42	176.2	-73.4	178.3	178.5	176.2	0	112.6	F60 P67 T88 K90 A95 Q96	F60-K92 HydrophobicContact CE2-CG 4.27Å; F60-K92 HydrophobicContact CZ-CG 4.05Å; P67-K92 WeakPolarHBondContact O-CE 3.19Å; P67-K92 PolarHBondContact O-NZ 3.22Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.47Å; T88-K92 PolarHBondContact O-N 2.86Å; K90-K92 PolarHBondContact O-N 2.88Å; K92-A95 PolarHBondContact O-N 3.2Å; K92-Q96 PolarHBondContact O-N 2.75Å
93	R	98.2	Very high	97.9	Very high	160 Å²	160	58 Å²	58	60%	0.604	27%	0.265	S	S	*	.	H	α-helix	trans	-66.4	-39.8	174.9	-74.1	-172.8	-64.9	-157.5	0.8	112.4	Q89 K90 Y91 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.39Å; Q89-R93 WeakPolarHBondContact O-CG 3.3Å; Q89-R93 PolarHBondContact O-N 2.68Å; K90-R93 PolarHBondContact O-N 2.86Å; Y91-R93 PolarHBondContact O-N 2.98Å; R93-Q96 PolarHBondContact O-N 3.27Å; R93-T97 WeakPolarHBondContact O-CB 3.32Å; R93-T97 PolarHBondContact O-N 2.99Å; R93-T97 PolarHBondContact O-OG1 2.78Å
94	Q	98.1	Very high	97.9	Very high	30 Å²	30	62.5 Å²	62.5	14%	0.14	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-43.8	176.6	-173	60.5	57.8	0	0	111	Y33 F46 K90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.91Å; Y33-Q94 HydrophobicContact CE2-CG 4.23Å; Y33-Q94 HydrophobicContact CG-CG 4.5Å; F46-Q94 HydrophobicContact CE2-CB 4.33Å; F46-Q94 HydrophobicContact CE2-CG 3.76Å; F46-Q94 HydrophobicContact CZ-CB 3.94Å; F46-Q94 HydrophobicContact CZ-CG 3.66Å; K90-Q94 WeakPolarHBondContact O-CB 3.44Å; K90-Q94 PolarHBondContact O-N 3.31Å; Y91-Q94 PolarHBondContact O-N 2.82Å; Q94-Q96 VanDerWaalsContact C-N 3.34Å; Q94-Q96 PolarHBondContact O-N 2.85Å; Q94-T97 CarbonylContact O-C 3.54Å; Q94-T97 WeakPolarHBondContact O-CA 3.36Å; Q94-T97 WeakPolarHBondContact O-CB 3.43Å; Q94-T97 PolarHBondContact O-N 2.03Å; Q94-D98 PolarHBondContact NE2-OD1 2.89Å; Q94-D98 PolarHBondContact NE2-OD2 2.95Å; Q94-D98 PolarHBondContact O-N 3.46Å
95	A	98.3	Very high	97.9	Very high	19 Å²	19	61.1 Å²	61.1	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-57	-43.8	175.4	0	0	0	0	0	112.6	F46 Y91 K92 D98 R99	F46-A95 HydrophobicContact CB-CB 3.68Å; F46-A95 HydrophobicContact CD1-CB 3.73Å; F46-A95 HydrophobicContact CD2-CB 4.08Å; F46-A95 HydrophobicContact CE1-CB 4.39Å; F46-A95 HydrophobicContact CG-CB 3.55Å; Y91-A95 WeakPolarHBondContact O-CB 3.39Å; Y91-A95 PolarHBondContact O-N 2.99Å; K92-A95 PolarHBondContact O-N 3.2Å; A95-D98 PolarHBondContact O-N 3.43Å; A95-R99 WeakPolarHBondContact O-CB 3.17Å; A95-R99 PolarHBondContact O-N 3.29Å
96	Q	98.1	Very high	97.9	Very high	107 Å²	107	58.8 Å²	58.8	50%	0.5	26%	0.263	S	S	.	.	H	α-helix	trans	-66.5	-38.3	175	-66.1	-55.2	-40.6	0	0	112.3	K92 R93 Q94 V100	K92-Q96 PolarHBondContact O-N 2.75Å; R93-Q96 PolarHBondContact O-N 3.27Å; Q94-Q96 VanDerWaalsContact C-N 3.34Å; Q94-Q96 PolarHBondContact O-N 2.85Å; Q96-V100 WeakPolarHBondContact O-CG2 3.3Å; Q96-V100 PolarHBondContact O-N 3.34Å
97	T	98	Very high	97.9	Very high	67 Å²	67	56 Å²	56	41%	0.411	27%	0.267	S	S	.	.	H	α-helix	trans	-62.8	-45.7	176.3	-59	0	0	0	0	110.8	R93 Q94 V100 N101	R93-T97 WeakPolarHBondContact O-CB 3.32Å; R93-T97 PolarHBondContact O-N 2.99Å; R93-T97 PolarHBondContact O-OG1 2.78Å; Q94-T97 CarbonylContact O-C 3.54Å; Q94-T97 WeakPolarHBondContact O-CA 3.36Å; Q94-T97 WeakPolarHBondContact O-CB 3.43Å; Q94-T97 PolarHBondContact O-N 2.03Å; T97-V100 PolarHBondContact O-N 2.84Å; T97-V100 VanDerWaalsContact O-N 3.16Å; T97-N101 VanDerWaalsContact O-CG 3.23Å; T97-N101 PolarHBondContact O-N 3.01Å; T97-N101 PolarHBondContact O-ND2 2.79Å
98	D	98.2	Very high	98	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.011	28%	0.275	C	S	.	.	H	α-helix	trans	-71.5	-33.1	-178.3	-69.8	-21.1	0	0	0	112.6	A35 F46 Q94 A95 V100 N101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.73Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.47Å; Q94-D98 PolarHBondContact NE2-OD1 2.89Å; Q94-D98 PolarHBondContact NE2-OD2 2.95Å; Q94-D98 PolarHBondContact O-N 3.46Å; A95-D98 PolarHBondContact O-N 3.43Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.3Å; D98-N101 PolarHBondContact O-N 2.99Å; D98-N101 PolarHBondContact OD1-ND2 2.8Å; D98-L102 WeakPolarHBondContact O-CB 3.37Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.32Å; D98-L102 PolarHBondContact O-N 3.19Å; D98-L119 HydrophobicContact CB-CD2 4.05Å
99	R	98	Very high	98	Very high	64 Å²	64	60.9 Å²	60.9	24%	0.242	28%	0.284	C	S	.	.	H	α-helix	trans	-55.8	-45.6	167.4	175.1	-171	-179.5	-160	1.8	112	E43 P44 A95 R103	E43-R99 IonicContact OE1-CZ 3.49Å; E43-R99 IonicContact OE1-NE 2.99Å; E43-R99 IonicContact OE1-NH2 3.45Å; E43-R99 PolarHBondContact OE1-NH2 2.93Å; E43-R99 WeakPolarHBondContact OE2-CD 3.39Å; E43-R99 IonicContact OE2-CZ 2.67Å; E43-R99 IonicContact OE2-NE 3.45Å; E43-R99 PolarHBondContact OE2-NE 2.86Å; E43-R99 IonicContact OE2-NH2 2.76Å; E43-R99 PolarHBondContact OE2-NH2 2.93Å; P44-R99 HydrophobicContact CG-CB 4.37Å; P44-R99 HydrophobicContact CG-CG 4.2Å; A95-R99 WeakPolarHBondContact O-CB 3.17Å; A95-R99 PolarHBondContact O-N 3.29Å; R99-R103 VanDerWaalsContact CZ-NH2 3.3Å; R99-R103 PolarHBondContact O-N 2.94Å
100	V	97.9	Very high	97.9	Very high	61 Å²	61	63.2 Å²	63.2	37%	0.37	30%	0.3	S	S	.	.	H	α-helix	trans	-68.9	-40.4	176.9	173.4	0	0	0	0	110.8	Q96 T97 D98 R103 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.3Å; Q96-V100 PolarHBondContact O-N 3.34Å; T97-V100 PolarHBondContact O-N 2.84Å; T97-V100 VanDerWaalsContact O-N 3.16Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.3Å; V100-R103 PolarHBondContact O-N 2.94Å; V100-K104 HydrophobicContact CG1-CD 4.27Å; V100-K104 PolarHBondContact O-N 2.87Å; V100-K104 VanDerWaalsContact O-N 3.1Å
101	N	98.1	Very high	97.9	Very high	39 Å²	39	62.6 Å²	62.6	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-42.3	179.1	-68.8	-24.2	0	0	0	112.1	T97 D98 R103 K104 L105 L119	T97-N101 VanDerWaalsContact O-CG 3.23Å; T97-N101 PolarHBondContact O-N 3.01Å; T97-N101 PolarHBondContact O-ND2 2.79Å; D98-N101 PolarHBondContact O-N 2.99Å; D98-N101 PolarHBondContact OD1-ND2 2.8Å; N101-R103 VanDerWaalsContact C-N 3.29Å; N101-R103 PolarHBondContact O-N 3.36Å; N101-K104 PolarHBondContact O-N 3.4Å; N101-K104 VanDerWaalsContact O-N 3.09Å; N101-L105 WeakPolarHBondContact O-CB 3.5Å; N101-L105 VanDerWaalsContact O-CG 3.26Å; N101-L105 WeakPolarHBondContact O-CG 3.47Å; N101-L105 PolarHBondContact O-N 3.44Å; N101-L119 HydrophobicContact CB-CD2 3.64Å
102	L	98.4	Very high	97.8	Very high	8 Å²	8	66.4 Å²	66.4	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-55.4	-42.9	174.7	-77.7	167.5	0	0	0	111.9	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.88Å; P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.85Å; D98-L102 WeakPolarHBondContact O-CB 3.37Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.32Å; D98-L102 PolarHBondContact O-N 3.19Å; L102-R106 WeakPolarHBondContact O-CB 3.41Å; L102-R106 PolarHBondContact O-N 2.95Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; L102-L119 HydrophobicContact CD2-CB 3.63Å; L102-L119 HydrophobicContact CG-CB 4.07Å; L102-Y142 HydrophobicContact CD2-CE2 4.01Å
103	R	97	Very high	97.5	Very high	122 Å²	122	68.7 Å²	68.7	46%	0.46	34%	0.337	S	S	.	.	H	α-helix	trans	-65.5	-41.3	175.9	-65.8	176.7	-171.4	155.9	-0.8	112.5	E43 R99 V100 N101 G107	E43-R103 IonicContact OE2-NH2 3.48Å; R99-R103 VanDerWaalsContact CZ-NH2 3.3Å; R99-R103 PolarHBondContact O-N 2.94Å; V100-R103 PolarHBondContact O-N 2.94Å; N101-R103 VanDerWaalsContact C-N 3.29Å; N101-R103 PolarHBondContact O-N 3.36Å; R103-G107 PolarHBondContact O-N 2.62Å
104	K	97.6	Very high	97.3	Very high	102 Å²	102	65 Å²	65	44%	0.443	34%	0.341	S	S	.	.	H	α-helix	trans	-65.1	-47.2	177.6	-73	175.8	179.4	170.4	0	111.4	V100 N101 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.27Å; V100-K104 PolarHBondContact O-N 2.87Å; V100-K104 VanDerWaalsContact O-N 3.1Å; N101-K104 PolarHBondContact O-N 3.4Å; N101-K104 VanDerWaalsContact O-N 3.09Å; K104-G107 CarbonylContact O-C 3.6Å; K104-G107 WeakPolarHBondContact O-CA 3.31Å; K104-G107 PolarHBondContact O-N 2.97Å; K104-G107 VanDerWaalsContact O-N 3.12Å; K104-Y108 WeakPolarHBondContact O-CD1 3.39Å; K104-Y108 PolarHBondContact O-N 3.24Å
105	L	98.3	Very high	97.1	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.037	35%	0.347	C	S	.	.	H	α-helix	trans	-60.3	-48.9	179.7	-71.2	165.6	0	0	0	110.6	N101 G107 Y108 Y109 L119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.5Å; N101-L105 VanDerWaalsContact O-CG 3.26Å; N101-L105 WeakPolarHBondContact O-CG 3.47Å; N101-L105 PolarHBondContact O-N 3.44Å; L105-G107 PolarHBondContact O-N 3.28Å; L105-Y108 PolarHBondContact O-N 3.31Å; L105-Y109 HydrophobicContact CD2-CE2 4.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.41Å; L105-Y109 PolarHBondContact O-N 3.49Å; L105-L119 HydrophobicContact CD1-CD1 3.77Å; L105-L119 HydrophobicContact CD1-CD2 4.18Å; L105-L119 HydrophobicContact CD1-CG 4.43Å; L105-Y142 HydrophobicContact CB-CD1 4.4Å; L105-Y142 HydrophobicContact CB-CD2 4.12Å; L105-Y142 HydrophobicContact CB-CE1 4.09Å; L105-Y142 HydrophobicContact CB-CE2 3.78Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CG-CD2 4.37Å; L105-Y142 HydrophobicContact CG-CE2 4.47Å; L105-Y147 HydrophobicContact CD2-CD1 4.32Å; L105-Y147 HydrophobicContact CD2-CD2 4.11Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.46Å; L105-Y147 HydrophobicContact CD2-CG 4.49Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.28Å
106	R	97.4	Very high	97.1	Very high	60 Å²	60	67.6 Å²	67.6	23%	0.226	37%	0.366	C	S	.	.	H	α-helix	trans	-50.9	-43.4	172.9	-172.9	-171.1	66.6	179.2	9.6	112.2	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.41Å; L102-R106 PolarHBondContact O-N 2.95Å; R106-N110 PolarHBondContact O-N 3.29Å; R106-N110 VanDerWaalsContact O-N 3.13Å; R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 WeakPolarHBondContact CG-O 3.47Å; R106-Q111 PolarHBondContact O-N 2.9Å; R106-E113 IonicContact CZ-OE1 3.77Å; R106-E113 IonicContact NH1-OE1 3.83Å; R106-E113 PolarHBondContact NH1-OE1 2.83Å; R106-E113 IonicContact NH2-OE1 3.72Å; R106-E113 PolarHBondContact NH2-OE1 2.76Å
107	G	97.4	Very high	97.1	Very high	45 Å²	45	63.3 Å²	63.3	46%	0.464	35%	0.345	S	S	.	.	H	α-helix	trans	-65.6	-45	175.3	0	0	0	0	0	113.6	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.62Å; K104-G107 CarbonylContact O-C 3.6Å; K104-G107 WeakPolarHBondContact O-CA 3.31Å; K104-G107 PolarHBondContact O-N 2.97Å; K104-G107 VanDerWaalsContact O-N 3.12Å; L105-G107 PolarHBondContact O-N 3.28Å; G107-Y109 PolarHBondContact O-N 3.35Å; G107-N110 PolarHBondContact O-N 3.28Å; G107-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-OD1 2.86Å
108	Y	98	Very high	97.2	Very high	56 Å²	56	61.9 Å²	61.9	22%	0.22	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-34.1	178.4	-64.3	-13.7	0	0	0	112.8	K104 L105 I166 K170	K104-Y108 WeakPolarHBondContact O-CD1 3.39Å; K104-Y108 PolarHBondContact O-N 3.24Å; L105-Y108 PolarHBondContact O-N 3.31Å; Y108-I166 HydrophobicContact CD1-CD1 4.2Å; Y108-I166 HydrophobicContact CE1-CG2 4.09Å; Y108-I166 HydrophobicContact CE2-CB 4.25Å; Y108-I166 HydrophobicContact CE2-CG2 4.09Å; Y108-I166 HydrophobicContact CG-CD1 4.22Å; Y108-K170 PolarHBondContact OH-NZ 2.97Å
109	Y	98	Very high	97.2	Very high	67 Å²	67	62 Å²	62	26%	0.263	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	3.5	178.1	-68.2	-72.3	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.41Å; L105-Y109 PolarHBondContact O-N 3.49Å; G107-Y109 PolarHBondContact O-N 3.35Å; Y109-Q111 PolarHBondContact O-N 2.83Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.54Å; Y109-Y142 HydrophobicContact CD2-CE1 3.54Å; Y109-Y142 AromaticContact CE2-CD1 3.49Å; Y109-Y142 HydrophobicContact CE2-CD1 3.49Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.49Å; Y109-Y142 AromaticContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.46Å; Y109-Y147 HydrophobicContact CE2-CD2 4.49Å; Y109-Y147 HydrophobicContact CE2-CE2 4.2Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.43Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.45Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.28Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.49Å; Y109-D161 PolarHBondContact OH-OD1 3.34Å; Y109-D161 PolarHBondContact OH-OD2 3.46Å; Y109-A163 HydrophobicContact CD1-CB 4.1Å; Y109-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CE1-CB 3.54Å; Y109-A163 HydrophobicContact CE2-CB 3.94Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å
110	N	97.1	Very high	97.2	Very high	153 Å²	153	62.5 Å²	62.5	82%	0.818	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	39.9	-176.8	-56	-56.1	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 3.29Å; R106-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-N 3.28Å; G107-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-OD1 2.86Å
111	Q	97.5	Very high	97.3	Very high	58 Å²	58	60.5 Å²	60.5	27%	0.271	33%	0.328	S	S	.	.			trans	-86.2	151.4	-177.1	-70.5	168.6	-32.6	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 WeakPolarHBondContact CG-O 3.47Å; R106-Q111 PolarHBondContact O-N 2.9Å; Y109-Q111 PolarHBondContact O-N 2.83Å; Q111-H117 PolarHBondContact NE2-CE1 3.11Å; Q111-H117 PolarHBondContact OE1-CE1 3.19Å; Q111-H117 PolarHBondContact OE1-ND1 2.72Å; Q111-Y142 PolarHBondContact OE1-OH 3.18Å; Q111-D143 PolarHBondContact NE2-OD2 2.96Å
112	S	95.8	Very high	97.3	Very high	82 Å²	82	59.5 Å²	59.5	57%	0.573	32%	0.323	S	S	*	.			trans	-65.7	148.2	178.7	176.5	0	0	0	0	112.6	A114 G115	S112-A114 PolarHBondContact O-N 2.72Å; S112-A114 PolarHBondContact OG-N 3.47Å; S112-G115 PolarHBondContact O-N 3.4Å
113	E	93	Very high	97.3	Very high	133 Å²	133	59.4 Å²	59.4	62%	0.621	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.4	175.4	-56.1	-151.7	127.9	0	0	113.9	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.49Å; P39-E113 WeakPolarHBondContact CG-O 3.37Å; R106-E113 IonicContact CZ-OE1 3.77Å; R106-E113 IonicContact NH1-OE1 3.83Å; R106-E113 PolarHBondContact NH1-OE1 2.83Å; R106-E113 IonicContact NH2-OE1 3.72Å; R106-E113 PolarHBondContact NH2-OE1 2.76Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.17Å
114	A	93.6	Very high	97.3	Very high	83 Å²	83	53.6 Å²	53.6	69%	0.686	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.3	178.4	0	0	0	0	0	112.9	S112	S112-A114 PolarHBondContact O-N 2.72Å; S112-A114 PolarHBondContact OG-N 3.47Å
115	G	94.3	Very high	97.4	Very high	26 Å²	26	48.7 Å²	48.7	27%	0.268	28%	0.279	S	S	.	.			trans	-74.2	133.3	-179.2	0	0	0	0	0	113	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.47Å; S112-G115 PolarHBondContact O-N 3.4Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.17Å; G115-H117 PolarHBondContact O-CD2 2.96Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å
116	S	97.6	Very high	97.3	Very high	78 Å²	78	49.3 Å²	49.3	55%	0.545	28%	0.282	S	S	.	.			trans	-79.6	135.1	164	-178.9	0	0	0	0	108.9	S37	S37-S116 PolarHBondContact O-OG 2.92Å
117	H	98.4	Very high	97.3	Very high	16 Å²	16	46.6 Å²	46.6	7%	0.074	27%	0.272	C	S	.	.			trans	-135.2	150.1	-176.5	-65.2	-71.9	0	0	0	110.9	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.34Å; S37-H117 PolarHBondContact N-O 2.67Å; S37-H117 PolarHBondContact OG-N 3.49Å; S37-H117 PolarHBondContact OG-O 3.42Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; Q111-H117 PolarHBondContact NE2-CE1 3.11Å; Q111-H117 PolarHBondContact OE1-CE1 3.19Å; Q111-H117 PolarHBondContact OE1-ND1 2.72Å; G115-H117 PolarHBondContact O-CD2 2.96Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.37Å; H117-Y142 AromaticContact CG-CZ 3.96Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 3.04Å; H117-D143 WeakPolarHBondContact CA-OD1 3.34Å; H117-D143 WeakPolarHBondContact CB-OD1 3.49Å; H117-D143 IonicContact CE1-OD2 3.1Å; H117-D143 IonicContact CG-OD1 2.76Å; H117-D143 IonicContact CG-OD2 2.75Å; H117-D143 IonicContact ND1-OD1 3.68Å; H117-D143 PolarHBondContact ND1-OD1 3.49Å; H117-D143 IonicContact ND1-OD2 2.99Å; H117-D143 PolarHBondContact ND1-OD2 3.38Å
118	T	98.8	Very high	97.1	Very high	37 Å²	37	44.8 Å²	44.8	23%	0.227	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.7	-175.3	-60.7	0	0	0	0	110.1	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.04Å; A35-T118 WeakPolarHBondContact O-CA 3.18Å; V36-T118 HydrophobicContact CG2-CG2 4.3Å; T118-Q120 HydrophobicContact CG2-CG 3.94Å; T118-Y142 CarbonylContact O-C 3.57Å; T118-Y142 WeakPolarHBondContact O-CA 3.12Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.42Å; T118-D143 PolarHBondContact N-OD1 3.28Å; T118-D143 PolarHBondContact O-N 3.02Å
119	L	98.9	Very high	96.7	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.1	170.2	175.9	61.7	0	0	0	108.5	T34 A35 D98 N101 L102 L105 F140 A141	T34-L119 WeakPolarHBondContact CA-O 3.46Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 2.81Å; A35-L119 PolarHBondContact O-N 3.5Å; D98-L119 HydrophobicContact CB-CD2 4.05Å; N101-L119 HydrophobicContact CB-CD2 3.64Å; L102-L119 HydrophobicContact CD2-CB 3.63Å; L102-L119 HydrophobicContact CG-CB 4.07Å; L105-L119 HydrophobicContact CD1-CD1 3.77Å; L105-L119 HydrophobicContact CD1-CD2 4.18Å; L105-L119 HydrophobicContact CD1-CG 4.43Å; L119-F140 HydrophobicContact CD1-CD1 4.17Å; L119-A141 WeakPolarHBondContact CD1-O 3.26Å
120	Q	98.8	Very high	96.3	Very high	76 Å²	76	48 Å²	48	36%	0.355	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.8	177.3	-70.4	168.1	-75.9	0	0	110.2	Y33 T34 T118 F140 A141	Y33-Q120 CarbonylContact O-C 3.48Å; Y33-Q120 VanDerWaalsContact O-CA 3.28Å; Y33-Q120 WeakPolarHBondContact O-CA 3.37Å; T34-Q120 HydrophobicContact CG2-CG 4.04Å; T118-Q120 HydrophobicContact CG2-CG 3.94Å; Q120-F140 CarbonylContact O-C 3.6Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.3Å; Q120-A141 HydrophobicContact CB-CB 4.33Å; Q120-A141 PolarHBondContact N-O 2.82Å; Q120-A141 PolarHBondContact O-N 3.22Å
121	R	98.5	Very high	95.9	Very high	18 Å²	18	41.6 Å²	41.6	7%	0.068	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.6	172.2	-175.1	-169.6	-178.2	-173.5	-7.1	109.6	F32 Y33 N138 Q139 F140 R180	F32-R121 WeakPolarHBondContact CA-O 3.21Å; Y33-R121 HydrophobicContact CD2-CB 4.23Å; Y33-R121 HydrophobicContact CD2-CG 4.42Å; Y33-R121 PolarHBondContact N-O 2.86Å; Y33-R121 PolarHBondContact O-N 2.95Å; R121-N138 VanDerWaalsContact CZ-OD1 3.25Å; R121-N138 PolarHBondContact NE-OD1 3.36Å; R121-N138 PolarHBondContact NH2-OD1 3.47Å; R121-Q139 CarbonylContact C-O 3.54Å; R121-Q139 VanDerWaalsContact CA-O 3.3Å; R121-Q139 WeakPolarHBondContact CA-O 3.39Å; R121-F140 HydrophobicContact CB-CD1 3.81Å; R121-F140 HydrophobicContact CB-CE1 3.77Å; R121-F140 HydrophobicContact CB-CG 4.41Å; R121-F140 HydrophobicContact CB-CZ 4.3Å; R121-F140 HydrophobicContact CG-CD1 3.91Å; R121-F140 HydrophobicContact CG-CD2 4.24Å; R121-F140 HydrophobicContact CG-CE1 3.58Å; R121-F140 HydrophobicContact CG-CE2 3.89Å; R121-F140 HydrophobicContact CG-CG 4.24Å; R121-F140 HydrophobicContact CG-CZ 3.58Å; R121-F140 VanDerWaalsContact NE-CZ 3.34Å; R121-R180 VanDerWaalsContact NH2-NH1 3.18Å
122	M	98.6	Very high	95.7	Very high	19 Å²	19	47.1 Å²	47.1	9%	0.094	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131	164.7	-173.2	-79.6	-74.2	0	0	108.9	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.28Å; F32-M122 HydrophobicContact CD1-CB 4.03Å; F32-M122 HydrophobicContact CD1-CG 3.71Å; F32-M122 HydrophobicContact CE1-CB 4.14Å; F32-M122 HydrophobicContact CE1-CG 3.42Å; F32-M122 VanDerWaalsContact CE1-CG 3.42Å; F32-M122 HydrophobicContact CZ-CG 4.05Å; M122-Y137 HydrophobicContact CE-CD1 3.8Å; M122-Y137 HydrophobicContact CE-CG 3.83Å; M122-Y137 HydrophobicContact SD-CG 4.29Å; M122-N138 WeakPolarHBondContact O-CA 3.33Å; M122-Q139 HydrophobicContact CB-CG 4.04Å; M122-Q139 HydrophobicContact CE-CG 4.04Å; M122-Q139 PolarHBondContact N-O 2.84Å; M122-Q139 PolarHBondContact O-N 3.2Å
123	S	97.9	Very high	95.8	Very high	5 Å²	5	45.7 Å²	45.7	4%	0.035	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	144.7	173.1	-171.4	0	0	0	0	111	Y31 Y137	Y31-S123 PolarHBondContact N-O 3.47Å; Y31-S123 PolarHBondContact O-N 3.1Å; S123-Y137 WeakPolarHBondContact CA-O 3.21Å; S123-Y137 PolarHBondContact OG-O 3.44Å
124	G	98.3	Very high	95.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.4	-177.6	-176.1	0	0	0	0	0	113.9	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 2.96Å; G124-Y137 PolarHBondContact N-O 3.45Å; G124-Y137 VanDerWaalsContact N-O 3.08Å; G124-Y137 PolarHBondContact O-N 3.14Å; G124-L184 WeakPolarHBondContact O-CD2 2.83Å
125	C	98.4	Very high	96.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.8	180	51.4	0	0	0	0	110.4	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.32Å; M29-C125 PolarHBondContact N-O 3.5Å; M29-C125 PolarHBondContact O-N 2.95Å; C125-L133 HydrophobicContact CB-CD1 3.53Å; C125-R135 CarbonylContact C-O 3.42Å; C125-R135 WeakPolarHBondContact CA-O 3.29Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.3Å; C125-C188 PolarHBondContact N-SG 2.98Å; C125-C188 WeakPolarHBondContact SG-CB 3.01Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.42Å
126	D	97.9	Very high	96.2	Very high	19 Å²	19	44.8 Å²	44.8	10%	0.102	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.6	171.1	-58.2	-11.8	0	0	0	108.3	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.44Å; S28-D126 WeakPolarHBondContact CB-OD1 3.05Å; R30-D126 IonicContact CZ-OD1 3.11Å; R30-D126 IonicContact NE-OD1 3.89Å; R30-D126 PolarHBondContact NE-OD1 3.36Å; R30-D126 VanDerWaalsContact NE-OD1 3.1Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 2.69Å; R30-D126 PolarHBondContact NH2-OD1 2.81Å; R30-D126 IonicContact NH2-OD2 2.78Å; R30-D126 PolarHBondContact NH2-OD2 3.3Å; D126-L134 HydrophobicContact CB-CB 4.34Å; D126-L134 PolarHBondContact O-N 3.23Å; D126-R135 HydrophobicContact CB-CB 4.41Å; D126-R135 PolarHBondContact N-O 2.82Å; D126-R135 PolarHBondContact O-N 3.35Å; D126-Y137 VanDerWaalsContact CG-CE2 3.5Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.46Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.2Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D126-Y137 PolarHBondContact OD2-OH 3.42Å
127	L	96.8	Very high	96.3	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.8	174.2	-55.7	-176.9	0	0	0	110	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.39Å; S26-L127 WeakPolarHBondContact CB-O 3.29Å; H27-L127 PolarHBondContact N-O 2.61Å; H27-L127 VanDerWaalsContact N-O 3.1Å; H27-L127 PolarHBondContact O-N 3.02Å; L127-R132 CarbonylContact C-O 3.59Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.45Å; L127-V189 HydrophobicContact CD1-CG1 4.44Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.21Å; L127-L192 HydrophobicContact CD1-CD2 3.67Å; L127-L192 HydrophobicContact CD1-CG 3.72Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.21Å; L127-R193 HydrophobicContact CD1-CG 3.95Å
128	G	93.4	Very high	96.3	Very high	7 Å²	7	42 Å²	42	7%	0.072	21%	0.21	C	C	.	.			trans	-69.3	174.7	165.4	0	0	0	0	0	111.9	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.38Å; G128-G131 WeakPolarHBondContact O-CA 3.32Å; G128-G131 PolarHBondContact O-N 2.76Å; G128-R132 PolarHBondContact N-O 3.31Å
129	P	88.9	Confident	96.2	Very high	89 Å²	89	43.7 Å²	43.7	58%	0.578	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.8	178.1	-17.8	27.3	0	0	0	113.6	A24 G131	A24-P129 HydrophobicContact CB-CB 4.07Å; A24-P129 HydrophobicContact CB-CG 3.21Å; P129-G131 PolarHBondContact O-N 3.45Å
130	D	89.1	Confident	96.2	Very high	102 Å²	102	44.1 Å²	44.1	55%	0.545	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	2.9	174.3	70	-14.1	0	0	0	112.9	G128 R132	G128-D130 PolarHBondContact O-N 3.38Å; D130-R132 PolarHBondContact O-N 3.36Å; D130-R132 WeakPolarHBondContact OD1-CB 3.28Å; D130-R132 PolarHBondContact OD1-N 3.18Å; D130-R132 WeakPolarHBondContact OD2-CD 3.44Å; D130-R132 VanDerWaalsContact OD2-CG 3.28Å; D130-R132 WeakPolarHBondContact OD2-CG 3.45Å; D130-R132 IonicContact OD2-NE 2.87Å
131	G	89.4	Confident	96.2	Very high	19 Å²	19	41.2 Å²	41.2	20%	0.196	21%	0.207	C	C	.	.	S	Bend	trans	71.8	9.2	-178.4	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.32Å; G128-G131 PolarHBondContact O-N 2.76Å; P129-G131 PolarHBondContact O-N 3.45Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 2.75Å; G131-R193 PolarHBondContact O-NH2 2.93Å
132	R	93.9	Very high	96.3	Very high	173 Å²	173	40.8 Å²	40.8	65%	0.653	21%	0.205	S	C	*	.	S	Bend	trans	-87.1	154.4	178.3	-62.2	-173.5	-174.6	172.2	-1.9	111.1	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.59Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.45Å; G128-R132 PolarHBondContact N-O 3.31Å; D130-R132 PolarHBondContact O-N 3.36Å; D130-R132 WeakPolarHBondContact OD1-CB 3.28Å; D130-R132 PolarHBondContact OD1-N 3.18Å; D130-R132 WeakPolarHBondContact OD2-CD 3.44Å; D130-R132 VanDerWaalsContact OD2-CG 3.28Å; D130-R132 WeakPolarHBondContact OD2-CG 3.45Å; D130-R132 IonicContact OD2-NE 2.87Å; R132-L134 PolarHBondContact O-N 2.92Å; R132-L134 VanDerWaalsContact O-N 3.12Å
133	L	96.6	Very high	96.2	Very high	52 Å²	52	42.8 Å²	42.8	27%	0.272	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	117.7	175.6	-176.6	72.5	0	0	0	109.9	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.53Å; L133-R135 WeakPolarHBondContact CD1-O 3.35Å; L133-L154 HydrophobicContact CD2-CD1 4.11Å; L133-E185 HydrophobicContact CD2-CB 4.41Å; L133-E185 HydrophobicContact CD2-CG 3.68Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 4.06Å
134	L	96.2	Very high	96.2	Very high	123 Å²	123	45.3 Å²	45.3	64%	0.644	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	-47.4	170.6	-173.2	80.1	0	0	0	110	D126 R132	D126-L134 HydrophobicContact CB-CB 4.34Å; D126-L134 PolarHBondContact O-N 3.23Å; R132-L134 PolarHBondContact O-N 2.92Å; R132-L134 VanDerWaalsContact O-N 3.12Å
135	R	96.6	Very high	96.2	Very high	96 Å²	96	53 Å²	53	36%	0.362	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	143.3	-175.2	-172.2	162.9	169.5	146	12.6	112	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.42Å; C125-R135 WeakPolarHBondContact CA-O 3.29Å; D126-R135 HydrophobicContact CB-CB 4.41Å; D126-R135 PolarHBondContact N-O 2.82Å; D126-R135 PolarHBondContact O-N 3.35Å; L133-R135 WeakPolarHBondContact CD1-O 3.35Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-CZ 3.47Å; R135-Y137 WeakPolarHBondContact CD-OH 3.42Å; R135-Y137 HydrophobicContact CG-CD2 4.46Å; R135-Y137 HydrophobicContact CG-CE1 4.07Å; R135-Y137 HydrophobicContact CG-CE2 3.75Å; R135-Y137 PolarHBondContact NE-OH 2.69Å; R135-E152 IonicContact CZ-OE1 3.46Å; R135-E152 IonicContact NH1-OE1 3.44Å; R135-E152 PolarHBondContact NH1-OE1 3.2Å; R135-E152 IonicContact NH2-OE1 2.72Å; R135-E152 PolarHBondContact NH2-OE1 3.04Å
136	G	97.9	Very high	96.3	Very high	4 Å²	4	59 Å²	59	4%	0.041	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	148.4	172.9	0	0	0	0	0	111.6
137	Y	97.9	Very high	96.3	Very high	34 Å²	34	58.5 Å²	58.5	13%	0.133	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.1	-177.6	-54.2	-96.5	0	0	0	111.4	R30 M122 S123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 3.07Å; M122-Y137 HydrophobicContact CE-CD1 3.8Å; M122-Y137 HydrophobicContact CE-CG 3.83Å; M122-Y137 HydrophobicContact SD-CG 4.29Å; S123-Y137 WeakPolarHBondContact CA-O 3.21Å; S123-Y137 PolarHBondContact OG-O 3.44Å; G124-Y137 PolarHBondContact N-O 3.45Å; G124-Y137 VanDerWaalsContact N-O 3.08Å; G124-Y137 PolarHBondContact O-N 3.14Å; D126-Y137 VanDerWaalsContact CG-CE2 3.5Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.46Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.2Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D126-Y137 PolarHBondContact OD2-OH 3.42Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 VanDerWaalsContact CD-CZ 3.47Å; R135-Y137 WeakPolarHBondContact CD-OH 3.42Å; R135-Y137 HydrophobicContact CG-CD2 4.46Å; R135-Y137 HydrophobicContact CG-CE1 4.07Å; R135-Y137 HydrophobicContact CG-CE2 3.75Å; R135-Y137 PolarHBondContact NE-OH 2.69Å
138	N	98.4	Very high	96.4	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	97	164.9	-177.3	59.6	0	0	0	109	R121 M122 L150 W157	R121-N138 VanDerWaalsContact CZ-OD1 3.25Å; R121-N138 PolarHBondContact NE-OD1 3.36Å; R121-N138 PolarHBondContact NH2-OD1 3.47Å; M122-N138 WeakPolarHBondContact O-CA 3.33Å; N138-L150 HydrophobicContact CB-CB 4.07Å; N138-L150 HydrophobicContact CB-CD2 4.19Å; N138-L150 WeakPolarHBondContact O-CB 3.43Å; N138-L150 PolarHBondContact O-N 3.47Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.35Å
139	Q	98.6	Very high	96.6	Very high	73 Å²	73	59.7 Å²	59.7	34%	0.341	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.9	-174.6	65.4	-165.6	58	0	0	111.4	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.54Å; R121-Q139 VanDerWaalsContact CA-O 3.3Å; R121-Q139 WeakPolarHBondContact CA-O 3.39Å; M122-Q139 HydrophobicContact CB-CG 4.04Å; M122-Q139 HydrophobicContact CE-CG 4.04Å; M122-Q139 PolarHBondContact N-O 2.84Å; M122-Q139 PolarHBondContact O-N 3.2Å; Q139-I148 WeakPolarHBondContact CA-O 3.11Å; Q139-A149 HydrophobicContact CB-CB 3.88Å
140	F	98.8	Very high	97.1	Very high	13 Å²	13	56.1 Å²	56.1	6%	0.057	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.7	-178.5	-67.1	-104.5	0	0	0	110.3	L119 Q120 R121 Y147 I148 W171	L119-F140 HydrophobicContact CD1-CD1 4.17Å; Q120-F140 CarbonylContact O-C 3.6Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.3Å; R121-F140 HydrophobicContact CB-CD1 3.81Å; R121-F140 HydrophobicContact CB-CE1 3.77Å; R121-F140 HydrophobicContact CB-CG 4.41Å; R121-F140 HydrophobicContact CB-CZ 4.3Å; R121-F140 HydrophobicContact CG-CD1 3.91Å; R121-F140 HydrophobicContact CG-CD2 4.24Å; R121-F140 HydrophobicContact CG-CE1 3.58Å; R121-F140 HydrophobicContact CG-CE2 3.89Å; R121-F140 HydrophobicContact CG-CG 4.24Å; R121-F140 HydrophobicContact CG-CZ 3.58Å; R121-F140 VanDerWaalsContact NE-CZ 3.34Å; F140-Y147 HydrophobicContact CB-CD1 4.37Å; F140-Y147 WeakPolarHBondContact O-CB 3.49Å; F140-Y147 PolarHBondContact O-N 3.07Å; F140-I148 HydrophobicContact CB-CG2 4.2Å; F140-I148 HydrophobicContact CD2-CG2 4.13Å; F140-I148 HydrophobicContact CG-CG2 4.47Å; F140-I148 PolarHBondContact N-O 3.47Å; F140-I148 PolarHBondContact O-N 3.3Å; F140-W171 AromaticContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CZ3 4.3Å; F140-W171 AromaticContact CE2-CH2 3.44Å; F140-W171 HydrophobicContact CE2-CH2 3.44Å; F140-W171 VanDerWaalsContact CE2-CH2 3.44Å; F140-W171 HydrophobicContact CE2-CZ2 4.46Å; F140-W171 HydrophobicContact CE2-CZ3 4.06Å; F140-W171 AromaticContact CZ-CH2 3.88Å; F140-W171 HydrophobicContact CZ-CH2 3.88Å
141	A	98.9	Very high	97.6	Very high	15 Å²	15	53.4 Å²	53.4	12%	0.124	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.4	171	0	0	0	0	0	110	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.26Å; Q120-A141 HydrophobicContact CB-CB 4.33Å; Q120-A141 PolarHBondContact N-O 2.82Å; Q120-A141 PolarHBondContact O-N 3.22Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.44Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.45Å
142	Y	98.8	Very high	97.9	Very high	10 Å²	10	58.7 Å²	58.7	4%	0.039	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.7	177.1	-174.9	-117	0	0	0	109.7	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.01Å; L105-Y142 HydrophobicContact CB-CD1 4.4Å; L105-Y142 HydrophobicContact CB-CD2 4.12Å; L105-Y142 HydrophobicContact CB-CE1 4.09Å; L105-Y142 HydrophobicContact CB-CE2 3.78Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CG-CD2 4.37Å; L105-Y142 HydrophobicContact CG-CE2 4.47Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.54Å; Y109-Y142 HydrophobicContact CD2-CE1 3.54Å; Y109-Y142 AromaticContact CE2-CD1 3.49Å; Y109-Y142 HydrophobicContact CE2-CD1 3.49Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.49Å; Y109-Y142 AromaticContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CE1 3.8Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.46Å; Q111-Y142 PolarHBondContact OE1-OH 3.18Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.37Å; H117-Y142 AromaticContact CG-CZ 3.96Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 3.04Å; T118-Y142 CarbonylContact O-C 3.57Å; T118-Y142 WeakPolarHBondContact O-CA 3.12Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.42Å; Y142-G144 PolarHBondContact O-N 2.85Å; Y142-K145 PolarHBondContact N-O 2.82Å; Y142-K145 PolarHBondContact O-N 2.82Å; Y142-K145 VanDerWaalsContact O-N 3.07Å
143	D	98.4	Very high	98.1	Very high	61 Å²	61	54.2 Å²	54.2	33%	0.326	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	40.5	-174.6	-64.5	-23.3	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.96Å; H117-D143 WeakPolarHBondContact CA-OD1 3.34Å; H117-D143 WeakPolarHBondContact CB-OD1 3.49Å; H117-D143 IonicContact CE1-OD2 3.1Å; H117-D143 IonicContact CG-OD1 2.76Å; H117-D143 IonicContact CG-OD2 2.75Å; H117-D143 IonicContact ND1-OD1 3.68Å; H117-D143 PolarHBondContact ND1-OD1 3.49Å; H117-D143 IonicContact ND1-OD2 2.99Å; H117-D143 PolarHBondContact ND1-OD2 3.38Å; T118-D143 PolarHBondContact N-OD1 3.28Å; T118-D143 PolarHBondContact O-N 3.02Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 2.85Å
144	G	97.6	Very high	98.2	Very high	58 Å²	58	52.1 Å²	52.1	60%	0.598	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	6	178.1	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 2.85Å
145	K	98.6	Very high	98.2	Very high	161 Å²	161	54.2 Å²	54.2	70%	0.7	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.8	177.3	-61.7	-179.3	-177.4	179	0	111	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.44Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.45Å; Y142-K145 PolarHBondContact N-O 2.82Å; Y142-K145 PolarHBondContact O-N 2.82Å; Y142-K145 VanDerWaalsContact O-N 3.07Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 2.85Å; K145-Y147 PolarHBondContact O-N 3.35Å
146	D	98.7	Very high	98.3	Very high	125 Å²	125	51.6 Å²	51.6	67%	0.668	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.9	136.7	174.2	-69.9	-34.9	0	0	0	110.9	A160	D146-A160 HydrophobicContact CB-CB 4.41Å; D146-A160 WeakPolarHBondContact O-CB 3.3Å
147	Y	98.8	Very high	98.4	Very high	10 Å²	10	51.8 Å²	51.8	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-64.3	-179.6	179.7	-112.1	0	0	0	110.7	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.32Å; L105-Y147 HydrophobicContact CD2-CD2 4.11Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.46Å; L105-Y147 HydrophobicContact CD2-CG 4.49Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.28Å; Y109-Y147 HydrophobicContact CE2-CD2 4.49Å; Y109-Y147 HydrophobicContact CE2-CE2 4.2Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.43Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.45Å; F140-Y147 HydrophobicContact CB-CD1 4.37Å; F140-Y147 WeakPolarHBondContact O-CB 3.49Å; F140-Y147 PolarHBondContact O-N 3.07Å; K145-Y147 PolarHBondContact O-N 3.35Å; Y147-A160 WeakPolarHBondContact O-CB 3.41Å; Y147-A160 PolarHBondContact O-N 3.29Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 3.47Å; Y147-A164 HydrophobicContact CD2-CB 3.78Å; Y147-A164 VanDerWaalsContact CE2-CA 3.44Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.22Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 WeakPolarHBondContact OH-CB 3.42Å; Y147-T167 PolarHBondContact OH-OG1 2.98Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	139.2	178.9	-162.6	173.4	0	0	0	110.4	Q139 F140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.11Å; F140-I148 HydrophobicContact CB-CG2 4.2Å; F140-I148 HydrophobicContact CD2-CG2 4.13Å; F140-I148 HydrophobicContact CG-CG2 4.47Å; F140-I148 PolarHBondContact N-O 3.47Å; F140-I148 PolarHBondContact O-N 3.3Å; I148-W157 HydrophobicContact CD1-CB 4.2Å; I148-W157 HydrophobicContact CD1-CD2 4.48Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; I148-T158 WeakPolarHBondContact CA-O 3.42Å; I148-T158 WeakPolarHBondContact CG1-O 3.29Å; I148-T167 HydrophobicContact CD1-CG2 4.05Å; I148-Q168 HydrophobicContact CD1-CB 3.88Å; I148-W171 HydrophobicContact CD1-CE3 4.08Å; I148-W171 HydrophobicContact CD1-CZ3 4.28Å; I148-W171 HydrophobicContact CG2-CE3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 4.01Å; I148-W171 HydrophobicContact CG2-CZ3 3.69Å
149	A	98.8	Very high	98.4	Very high	31 Å²	31	55 Å²	55	26%	0.256	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.2	179.7	0	0	0	0	0	111.4	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.88Å; A149-W157 CarbonylContact O-C 3.51Å; A149-W157 WeakPolarHBondContact O-CA 3.39Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 2.91Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	54.4 Å²	54.4	7%	0.073	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129	167.1	-175.3	68	0	0	0	108.5	N138 L154 W157 A177 R180 L184	N138-L150 HydrophobicContact CB-CB 4.07Å; N138-L150 HydrophobicContact CB-CD2 4.19Å; N138-L150 WeakPolarHBondContact O-CB 3.43Å; N138-L150 PolarHBondContact O-N 3.47Å; L150-L154 HydrophobicContact CD2-CB 4.46Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.14Å; L150-W157 HydrophobicContact CB-CZ3 3.66Å; L150-W157 HydrophobicContact CD1-CD2 4.11Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-A177 HydrophobicContact CD1-CB 4.02Å; L150-R180 HydrophobicContact CD2-CB 4.02Å; L150-L184 HydrophobicContact CD2-CD1 3.89Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	56.5 Å²	56.5	24%	0.235	31%	0.314	C	S	.	.			trans	-72.4	163.8	-179.8	-67.2	-24.9	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.33Å; N151-D153 VanDerWaalsContact O-N 3.12Å; N151-L154 WeakPolarHBondContact O-CA 3.38Å; N151-L154 PolarHBondContact O-N 2.87Å; N151-S156 WeakPolarHBondContact CB-O 3.4Å; N151-S156 WeakPolarHBondContact CB-OG 3.31Å; N151-S156 PolarHBondContact N-O 2.88Å; N151-S156 PolarHBondContact ND2-OG 3.31Å; N151-T158 PolarHBondContact ND2-OG1 3.05Å; N151-T158 WeakPolarHBondContact OD1-CB 3.47Å; N151-T158 PolarHBondContact OD1-N 2.83Å; N151-T158 PolarHBondContact OD1-OG1 2.93Å
152	E	97.4	Very high	98.3	Very high	131 Å²	131	64.1 Å²	64.1	61%	0.612	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.7	-179.3	-66.8	178.6	-168.6	0	0	113.3	R135 L154	R135-E152 IonicContact CZ-OE1 3.46Å; R135-E152 IonicContact NH1-OE1 3.44Å; R135-E152 PolarHBondContact NH1-OE1 3.2Å; R135-E152 IonicContact NH2-OE1 2.72Å; R135-E152 PolarHBondContact NH2-OE1 3.04Å; E152-L154 PolarHBondContact O-N 2.94Å
153	D	97.4	Very high	98.3	Very high	78 Å²	78	64 Å²	64	42%	0.417	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-8.5	174.1	70.8	1.8	0	0	0	114.1	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.33Å; N151-D153 VanDerWaalsContact O-N 3.12Å; D153-R155 WeakPolarHBondContact O-CG 3.36Å; D153-R155 PolarHBondContact O-N 2.87Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 2.85Å; D153-S156 PolarHBondContact OD1-N 2.94Å; D153-S156 PolarHBondContact OD1-OG 3.44Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.39Å; D153-S156 PolarHBondContact OD2-OG 2.93Å
154	L	98	Very high	98.3	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.047	33%	0.33	C	S	.	.	S	Bend	trans	54.2	24.8	-175.2	-52.8	-178.6	0	0	0	114.1	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.11Å; L150-L154 HydrophobicContact CD2-CB 4.46Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; N151-L154 WeakPolarHBondContact O-CA 3.38Å; N151-L154 PolarHBondContact O-N 2.87Å; E152-L154 PolarHBondContact O-N 2.94Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.86Å; L154-R181 HydrophobicContact CD1-CG 4.21Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; L154-E185 HydrophobicContact CD1-CG 4.18Å
155	R	97.7	Very high	98.4	Very high	166 Å²	166	61.9 Å²	61.9	63%	0.626	32%	0.318	S	S	*	.	S	Bend	trans	-131.5	-33.3	-173.7	-71.4	169.6	-175.8	-104.5	13	112.5	D153 A177 R181	D153-R155 WeakPolarHBondContact O-CG 3.36Å; D153-R155 PolarHBondContact O-N 2.87Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 2.85Å; R155-A177 WeakPolarHBondContact O-CB 3.39Å; R155-R181 VanDerWaalsContact CZ-NH1 3.28Å
156	S	98	Very high	98.4	Very high	41 Å²	41	57 Å²	57	29%	0.287	30%	0.298	S	S	.	.			trans	-113.3	164	-177.7	63.2	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.4Å; N151-S156 WeakPolarHBondContact CB-OG 3.31Å; N151-S156 PolarHBondContact N-O 2.88Å; N151-S156 PolarHBondContact ND2-OG 3.31Å; D153-S156 PolarHBondContact OD1-N 2.94Å; D153-S156 PolarHBondContact OD1-OG 3.44Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.39Å; D153-S156 PolarHBondContact OD2-OG 2.93Å
157	W	98.7	Very high	98.4	Very high	9 Å²	9	51.8 Å²	51.8	3%	0.034	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145.5	-178.2	-59.9	90.8	0	0	0	110.9	N138 I148 A149 L150 Q168 W171 E176 A177 R180	N138-W157 WeakPolarHBondContact ND2-CH2 3.35Å; I148-W157 HydrophobicContact CD1-CB 4.2Å; I148-W157 HydrophobicContact CD1-CD2 4.48Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; A149-W157 CarbonylContact O-C 3.51Å; A149-W157 WeakPolarHBondContact O-CA 3.39Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.14Å; L150-W157 HydrophobicContact CB-CZ3 3.66Å; L150-W157 HydrophobicContact CD1-CD2 4.11Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 3.05Å; W157-Q168 VanDerWaalsContact O-NE2 3.16Å; W157-W171 AromaticContact CD2-CE3 3.92Å; W157-W171 HydrophobicContact CD2-CE3 3.92Å; W157-W171 HydrophobicContact CD2-CZ3 4.44Å; W157-W171 AromaticContact CE2-CE3 3.79Å; W157-W171 AromaticContact CE3-CE3 3.77Å; W157-W171 HydrophobicContact CE3-CE3 3.77Å; W157-W171 AromaticContact CE3-CZ3 3.83Å; W157-W171 HydrophobicContact CE3-CZ3 3.83Å; W157-W171 AromaticContact CH2-CE3 3.39Å; W157-W171 HydrophobicContact CH2-CE3 3.39Å; 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 4.41Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.09Å; W157-W171 AromaticContact CZ3-CE3 3.53Å; W157-W171 HydrophobicContact CZ3-CE3 3.53Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; W157-E176 HydrophobicContact CZ2-CB 4.22Å; W157-A177 HydrophobicContact CZ2-CB 4.29Å; W157-R180 HydrophobicContact CH2-CG 4.23Å
158	T	98.7	Very high	98.4	Very high	78 Å²	78	53.2 Å²	53.2	48%	0.479	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	120	166.8	-65.5	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.42Å; I148-T158 WeakPolarHBondContact CG1-O 3.29Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 2.91Å; N151-T158 PolarHBondContact ND2-OG1 3.05Å; N151-T158 WeakPolarHBondContact OD1-CB 3.47Å; N151-T158 PolarHBondContact OD1-N 2.83Å; N151-T158 PolarHBondContact OD1-OG1 2.93Å
159	A	98.7	Very high	98.3	Very high	23 Å²	23	60.4 Å²	60.4	19%	0.19	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.7	176.2	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.7Å; A159-Q165 HydrophobicContact CB-CG 4.01Å; A159-Q168 HydrophobicContact CB-CB 4.37Å
160	A	98.5	Very high	98.3	Very high	61 Å²	61	64.4 Å²	64.4	50%	0.504	32%	0.317	S	S	.	.	S	Bend	trans	-73.6	-31.1	-176.8	0	0	0	0	0	113.2	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.41Å; D146-A160 WeakPolarHBondContact O-CB 3.3Å; Y147-A160 WeakPolarHBondContact O-CB 3.41Å; Y147-A160 PolarHBondContact O-N 3.29Å
161	D	98.3	Very high	98.3	Very high	58 Å²	58	66 Å²	66	31%	0.31	32%	0.322	S	S	.	.	S	Bend	trans	-152.6	-174	-178.3	69.5	22.5	0	0	0	114	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.28Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.49Å; Y109-D161 PolarHBondContact OH-OD1 3.34Å; Y109-D161 PolarHBondContact OH-OD2 3.46Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 2.9Å; D161-A163 WeakPolarHBondContact OD1-CA 3.37Å; D161-A163 WeakPolarHBondContact OD1-CB 3.18Å; D161-A163 PolarHBondContact OD1-N 2.81Å; D161-A164 PolarHBondContact O-N 3.02Å; D161-A164 PolarHBondContact OD1-N 2.98Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 3.47Å
162	K	98.3	Very high	98.3	Very high	174 Å²	174	68.3 Å²	68.3	76%	0.757	33%	0.331	S	S	*	.	H	α-helix	trans	-63.1	-31.6	-179.5	-67.9	-177.4	-179.5	177.1	0	113.4
163	A	98.1	Very high	98.3	Very high	8 Å²	8	66.2 Å²	66.2	7%	0.066	34%	0.337	C	S	.	.	H	α-helix	trans	-72.2	-43.4	176.6	0	0	0	0	0	109.9	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.1Å; Y109-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CE1-CB 3.54Å; Y109-A163 HydrophobicContact CE2-CB 3.94Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 3.47Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 2.9Å; D161-A163 WeakPolarHBondContact OD1-CA 3.37Å; D161-A163 WeakPolarHBondContact OD1-CB 3.18Å; D161-A163 PolarHBondContact OD1-N 2.81Å; A163-Q165 VanDerWaalsContact C-N 3.29Å; A163-Q165 PolarHBondContact O-N 2.82Å; A163-I166 VanDerWaalsContact O-CB 3.27Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 3.02Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-35.1	174.5	0	0	0	0	0	113.4	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.78Å; Y147-A164 VanDerWaalsContact CE2-CA 3.44Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.22Å; A159-A164 HydrophobicContact CB-CB 3.7Å; D161-A164 PolarHBondContact O-N 3.02Å; D161-A164 PolarHBondContact OD1-N 2.98Å; A164-I166 PolarHBondContact O-N 3.15Å; A164-T167 WeakPolarHBondContact O-CA 3.3Å; A164-T167 WeakPolarHBondContact O-CB 3.22Å; A164-T167 PolarHBondContact O-N 3.07Å; A164-Q168 PolarHBondContact O-N 3.15Å
165	Q	98.7	Very high	98.4	Very high	74 Å²	74	72.4 Å²	72.4	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-59.1	-28.5	173.8	-73.8	174.5	8.4	0	0	113	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.01Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 3.47Å; A163-Q165 VanDerWaalsContact C-N 3.29Å; A163-Q165 PolarHBondContact O-N 2.82Å; Q165-R169 WeakPolarHBondContact O-CG 3.43Å; Q165-R169 PolarHBondContact O-N 3.23Å; Q165-R169 VanDerWaalsContact O-N 3.11Å
166	I	98.4	Very high	98.4	Very high	58 Å²	58	66.5 Å²	66.5	30%	0.297	35%	0.345	S	S	.	.	H	α-helix	trans	-66.3	-44.2	174.2	-57.2	170.3	0	0	0	109.9	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.2Å; Y108-I166 HydrophobicContact CE1-CG2 4.09Å; Y108-I166 HydrophobicContact CE2-CB 4.25Å; Y108-I166 HydrophobicContact CE2-CG2 4.09Å; Y108-I166 HydrophobicContact CG-CD1 4.22Å; A163-I166 VanDerWaalsContact O-CB 3.27Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 3.02Å; A164-I166 PolarHBondContact O-N 3.15Å; I166-K170 WeakPolarHBondContact O-CG 3.48Å; I166-K170 PolarHBondContact O-N 3.22Å
167	T	98.4	Very high	98.4	Very high	17 Å²	17	65 Å²	65	10%	0.104	34%	0.335	C	S	.	.	H	α-helix	trans	-65.3	-44.8	175	-70.6	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 WeakPolarHBondContact OH-CB 3.42Å; Y147-T167 PolarHBondContact OH-OG1 2.98Å; I148-T167 HydrophobicContact CD1-CG2 4.05Å; A164-T167 WeakPolarHBondContact O-CA 3.3Å; A164-T167 WeakPolarHBondContact O-CB 3.22Å; A164-T167 PolarHBondContact O-N 3.07Å; T167-R169 PolarHBondContact O-N 3.16Å; T167-K170 WeakPolarHBondContact O-CB 3.42Å; T167-K170 PolarHBondContact O-N 3.13Å; T167-K170 VanDerWaalsContact O-N 3.12Å; T167-W171 HydrophobicContact CG2-CD2 3.68Å; T167-W171 HydrophobicContact CG2-CE3 4.1Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 4.22Å; T167-W171 HydrophobicContact CG2-CZ2 3.83Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 PolarHBondContact O-N 3.2Å
168	Q	98.7	Very high	98.3	Very high	39 Å²	39	70 Å²	70	18%	0.182	36%	0.359	C	S	.	.	H	α-helix	trans	-52	-54.6	178	176.8	174.5	16.6	0	0	111.7	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.88Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 3.05Å; W157-Q168 VanDerWaalsContact O-NE2 3.16Å; A159-Q168 HydrophobicContact CB-CB 4.37Å; A164-Q168 PolarHBondContact O-N 3.15Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 3.13Å; Q168-W171 PolarHBondContact O-N 2.82Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.28Å; Q168-E172 PolarHBondContact NE2-OE1 3.28Å; Q168-E172 WeakPolarHBondContact O-CB 3.46Å; Q168-E172 WeakPolarHBondContact O-CG 3.2Å; Q168-E172 PolarHBondContact O-N 2.8Å
169	R	98.7	Very high	98.3	Very high	155 Å²	155	72.1 Å²	72.1	59%	0.585	36%	0.363	S	S	*	.	H	α-helix	trans	-58.4	-38.5	179.8	-68.2	173.3	-164.7	144.7	8.5	112.5	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.43Å; Q165-R169 PolarHBondContact O-N 3.23Å; Q165-R169 VanDerWaalsContact O-N 3.11Å; T167-R169 PolarHBondContact O-N 3.16Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 3.44Å
170	K	98.2	Very high	98.2	Very high	116 Å²	116	74.1 Å²	74.1	50%	0.504	37%	0.366	S	S	.	.	H	α-helix	trans	-66.5	-43.2	177.3	-72.5	176.8	179.7	-177.6	0	111.5	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 2.97Å; I166-K170 WeakPolarHBondContact O-CG 3.48Å; I166-K170 PolarHBondContact O-N 3.22Å; T167-K170 WeakPolarHBondContact O-CB 3.42Å; T167-K170 PolarHBondContact O-N 3.13Å; T167-K170 VanDerWaalsContact O-N 3.12Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 3.13Å; K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.32Å; K170-A174 PolarHBondContact O-N 3.26Å
171	W	98.3	Very high	98.2	Very high	47 Å²	47	74.5 Å²	74.5	18%	0.178	35%	0.354	C	S	.	.	H	α-helix	trans	-71.9	-36	-179.5	-76.2	5.9	0	0	0	112.9	F140 I148 W157 T167 Q168 A174 R175 E176	F140-W171 AromaticContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CH2 3.82Å; F140-W171 HydrophobicContact CD2-CZ3 4.3Å; F140-W171 AromaticContact CE2-CH2 3.44Å; F140-W171 HydrophobicContact CE2-CH2 3.44Å; F140-W171 VanDerWaalsContact CE2-CH2 3.44Å; F140-W171 HydrophobicContact CE2-CZ2 4.46Å; F140-W171 HydrophobicContact CE2-CZ3 4.06Å; F140-W171 AromaticContact CZ-CH2 3.88Å; F140-W171 HydrophobicContact CZ-CH2 3.88Å; I148-W171 HydrophobicContact CD1-CE3 4.08Å; I148-W171 HydrophobicContact CD1-CZ3 4.28Å; I148-W171 HydrophobicContact CG2-CE3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 4.01Å; I148-W171 HydrophobicContact CG2-CZ3 3.69Å; W157-W171 AromaticContact CD2-CE3 3.92Å; W157-W171 HydrophobicContact CD2-CE3 3.92Å; W157-W171 HydrophobicContact CD2-CZ3 4.44Å; W157-W171 AromaticContact CE2-CE3 3.79Å; W157-W171 AromaticContact CE3-CE3 3.77Å; W157-W171 HydrophobicContact CE3-CE3 3.77Å; W157-W171 AromaticContact CE3-CZ3 3.83Å; W157-W171 HydrophobicContact CE3-CZ3 3.83Å; W157-W171 AromaticContact CH2-CE3 3.39Å; W157-W171 HydrophobicContact CH2-CE3 3.39Å; 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 4.41Å; W157-W171 AromaticContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CE3 3.54Å; W157-W171 HydrophobicContact CZ2-CZ3 4.09Å; W157-W171 AromaticContact CZ3-CE3 3.53Å; W157-W171 HydrophobicContact CZ3-CE3 3.53Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; T167-W171 HydrophobicContact CG2-CD2 3.68Å; T167-W171 HydrophobicContact CG2-CE3 4.1Å; T167-W171 HydrophobicContact CG2-CG 4.08Å; T167-W171 HydrophobicContact CG2-CH2 4.22Å; T167-W171 HydrophobicContact CG2-CZ2 3.83Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 PolarHBondContact O-N 3.2Å; Q168-W171 PolarHBondContact O-N 2.82Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; W171-A174 CarbonylContact O-C 3.54Å; W171-A174 PolarHBondContact O-N 2.88Å; W171-R175 PolarHBondContact O-N 2.87Å; W171-E176 HydrophobicContact CB-CB 3.93Å; W171-E176 HydrophobicContact CB-CG 3.98Å; W171-E176 HydrophobicContact CD2-CG 4.48Å; W171-E176 HydrophobicContact CG-CB 4.09Å; W171-E176 HydrophobicContact CG-CG 3.85Å; W171-E176 PolarHBondContact O-N 3.34Å
172	E	98.5	Very high	98.2	Very high	93 Å²	93	74.7 Å²	74.7	44%	0.435	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-47.3	171.9	-72.8	169.1	173.7	0	0	111	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.28Å; Q168-E172 PolarHBondContact NE2-OE1 3.28Å; Q168-E172 WeakPolarHBondContact O-CB 3.46Å; Q168-E172 WeakPolarHBondContact O-CG 3.2Å; Q168-E172 PolarHBondContact O-N 2.8Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.17Å; E172-R175 PolarHBondContact O-N 2.89Å
173	A	98.4	Very high	98.2	Very high	87 Å²	87	69.5 Å²	69.5	72%	0.719	34%	0.34	S	S	*	.	H	α-helix	trans	-61	-35.5	176	0	0	0	0	0	112.7	R169 R175	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 3.44Å; A173-R175 VanDerWaalsContact C-N 3.35Å
174	A	98.1	Very high	98.2	Very high	57 Å²	57	69.1 Å²	69.1	47%	0.471	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-1.2	176.7	0	0	0	0	0	114.1	K170 W171 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.32Å; K170-A174 PolarHBondContact O-N 3.26Å; W171-A174 CarbonylContact O-C 3.54Å; W171-A174 PolarHBondContact O-N 2.88Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.17Å; A174-E176 HydrophobicContact CB-CG 4.12Å; A174-E176 PolarHBondContact O-N 3.12Å
175	R	97.8	Very high	98.2	Very high	160 Å²	160	73.1 Å²	73.1	60%	0.604	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	37.4	-176.3	-56.9	-179.3	175.3	-155	5	114	W171 E172 A173 A177 E178	W171-R175 PolarHBondContact O-N 2.87Å; E172-R175 PolarHBondContact O-N 2.89Å; A173-R175 VanDerWaalsContact C-N 3.35Å; R175-A177 PolarHBondContact O-N 3.41Å; R175-A177 VanDerWaalsContact O-N 3.14Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.05Å; R175-E178 IonicContact NH1-OE1 3.47Å; R175-E178 PolarHBondContact NH1-OE1 3.32Å; R175-E178 WeakPolarHBondContact O-CB 3.44Å; R175-E178 PolarHBondContact O-N 3.02Å
176	E	97.7	Very high	98.1	Very high	42 Å²	42	70.6 Å²	70.6	20%	0.196	35%	0.35	C	S	.	.	H	α-helix	trans	-57.5	-32.2	-178.3	-75.9	-81	168.2	0	0	112.6	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.22Å; W171-E176 HydrophobicContact CB-CB 3.93Å; W171-E176 HydrophobicContact CB-CG 3.98Å; W171-E176 HydrophobicContact CD2-CG 4.48Å; W171-E176 HydrophobicContact CG-CB 4.09Å; W171-E176 HydrophobicContact CG-CG 3.85Å; W171-E176 PolarHBondContact O-N 3.34Å; A174-E176 HydrophobicContact CB-CG 4.12Å; A174-E176 PolarHBondContact O-N 3.12Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 3.2Å; E176-Q179 PolarHBondContact O-N 3.19Å; E176-R180 WeakPolarHBondContact O-CG 3.26Å; E176-R180 PolarHBondContact O-N 3Å; E176-R180 IonicContact OE2-NE 3.66Å; E176-R180 IonicContact OE2-NH2 3.3Å; E176-R180 PolarHBondContact OE2-NH2 2.87Å
177	A	98.3	Very high	98.1	Very high	9 Å²	9	70.2 Å²	70.2	7%	0.074	35%	0.35	C	S	.	.	H	α-helix	trans	-58.9	-36.7	177.5	0	0	0	0	0	112.4	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 4.02Å; R155-A177 WeakPolarHBondContact O-CB 3.39Å; W157-A177 HydrophobicContact CZ2-CB 4.29Å; R175-A177 PolarHBondContact O-N 3.41Å; R175-A177 VanDerWaalsContact O-N 3.14Å; A177-Q179 PolarHBondContact O-N 3.42Å; A177-R180 PolarHBondContact O-N 2.63Å; A177-R181 WeakPolarHBondContact O-CB 3.42Å; A177-R181 PolarHBondContact O-N 3Å
178	E	98	Very high	98.1	Very high	114 Å²	114	69.4 Å²	69.4	53%	0.533	35%	0.345	S	S	.	.	H	α-helix	trans	-62.9	-42.5	178.6	-63.5	178.1	-178.3	0	0	111.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.05Å; R175-E178 IonicContact NH1-OE1 3.47Å; R175-E178 PolarHBondContact NH1-OE1 3.32Å; R175-E178 WeakPolarHBondContact O-CB 3.44Å; R175-E178 PolarHBondContact O-N 3.02Å; E176-E178 VanDerWaalsContact C-N 3.26Å; E176-E178 PolarHBondContact O-N 3.2Å; E178-A182 WeakPolarHBondContact O-CB 3.49Å; E178-A182 PolarHBondContact O-N 2.81Å
179	Q	96.8	Very high	98.1	Very high	123 Å²	123	68 Å²	68	58%	0.575	34%	0.339	S	S	*	.	H	α-helix	trans	-67.8	-41.4	177	-63.4	-174.7	8	0	0	112	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.19Å; A177-Q179 PolarHBondContact O-N 3.42Å; Q179-A182 PolarHBondContact O-N 3.09Å; Q179-Y183 PolarHBondContact O-N 2.86Å; Q179-Y183 VanDerWaalsContact O-N 3.13Å
180	R	97.9	Very high	98	Very high	64 Å²	64	66.5 Å²	66.5	24%	0.242	34%	0.339	C	S	.	.	H	α-helix	trans	-64.5	-44.5	176.9	-61.4	-60.1	163.9	-154.3	-8.6	111	R121 L150 W157 E176 A177 Y183 L184	R121-R180 VanDerWaalsContact NH2-NH1 3.18Å; L150-R180 HydrophobicContact CD2-CB 4.02Å; W157-R180 HydrophobicContact CH2-CG 4.23Å; E176-R180 WeakPolarHBondContact O-CG 3.26Å; E176-R180 PolarHBondContact O-N 3Å; E176-R180 IonicContact OE2-NE 3.66Å; E176-R180 IonicContact OE2-NH2 3.3Å; E176-R180 PolarHBondContact OE2-NH2 2.87Å; A177-R180 PolarHBondContact O-N 2.63Å; R180-Y183 PolarHBondContact O-N 2.91Å; R180-L184 WeakPolarHBondContact O-CB 3.34Å; R180-L184 VanDerWaalsContact O-CG 3.22Å; R180-L184 WeakPolarHBondContact O-CG 3.23Å; R180-L184 PolarHBondContact O-N 2.86Å
181	R	98.3	Very high	98	Very high	69 Å²	69	63.1 Å²	63.1	26%	0.26	32%	0.323	S	S	.	.	H	α-helix	trans	-59.6	-47.7	176.2	-175.5	172.8	179.9	-133.8	-13.4	111.9	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.86Å; L154-R181 HydrophobicContact CD1-CG 4.21Å; R155-R181 VanDerWaalsContact CZ-NH1 3.28Å; A177-R181 WeakPolarHBondContact O-CB 3.42Å; A177-R181 PolarHBondContact O-N 3Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 2.91Å; R181-L184 PolarHBondContact O-N 2.97Å; R181-L184 VanDerWaalsContact O-N 3.15Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.35Å; R181-E185 VanDerWaalsContact CZ-OE1 3.24Å; R181-E185 IonicContact CZ-OE2 3.86Å; R181-E185 VanDerWaalsContact NE-CD 3.3Å; R181-E185 IonicContact NE-OE1 3.56Å; R181-E185 PolarHBondContact NE-OE1 2.91Å; R181-E185 IonicContact NE-OE2 2.82Å; R181-E185 PolarHBondContact NE-OE2 2.71Å; R181-E185 IonicContact NH2-OE1 3.46Å; R181-E185 PolarHBondContact NH2-OE1 3.47Å; R181-E185 IonicContact NH2-OE2 3.47Å; R181-E185 PolarHBondContact NH2-OE2 3.02Å; R181-E185 WeakPolarHBondContact O-CB 3.27Å; R181-E185 PolarHBondContact O-N 2.94Å
182	A	98.3	Very high	98	Very high	63 Å²	63	60.9 Å²	60.9	52%	0.521	31%	0.314	S	S	.	.	H	α-helix	trans	-58.2	-40.5	177.4	0	0	0	0	0	112.5	E178 Q179 G186	E178-A182 WeakPolarHBondContact O-CB 3.49Å; E178-A182 PolarHBondContact O-N 2.81Å; Q179-A182 PolarHBondContact O-N 3.09Å; A182-G186 PolarHBondContact O-N 3.32Å; A182-G186 VanDerWaalsContact O-N 3.1Å
183	Y	97.8	Very high	97.9	Very high	64 Å²	64	62.4 Å²	62.4	25%	0.251	32%	0.316	S	S	.	.	I	π-helix	trans	-66.3	-46.4	173.9	170	-98.6	0	0	0	112.4	Q179 R180 R181 T187 C188	Q179-Y183 PolarHBondContact O-N 2.86Å; Q179-Y183 VanDerWaalsContact O-N 3.13Å; R180-Y183 PolarHBondContact O-N 2.91Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 2.91Å; Y183-T187 HydrophobicContact CD2-CG2 3.94Å; Y183-T187 HydrophobicContact CE2-CG2 3.77Å; Y183-T187 PolarHBondContact O-N 3.31Å; Y183-T187 VanDerWaalsContact O-N 3.14Å; Y183-C188 HydrophobicContact CD1-CB 4.5Å; Y183-C188 HydrophobicContact CE1-CB 4.08Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 3.48Å
184	L	98.4	Very high	97.8	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.303	C	S	.	.	I	π-helix	trans	-70.1	-39	-175.2	-70.2	170.7	0	0	0	112.6	G124 L150 L154 R180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 2.83Å; L150-L184 HydrophobicContact CD2-CD1 3.89Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; R180-L184 WeakPolarHBondContact O-CB 3.34Å; R180-L184 VanDerWaalsContact O-CG 3.22Å; R180-L184 WeakPolarHBondContact O-CG 3.23Å; R180-L184 PolarHBondContact O-N 2.86Å; R181-L184 PolarHBondContact O-N 2.97Å; R181-L184 VanDerWaalsContact O-N 3.15Å; L184-V189 WeakPolarHBondContact O-CG2 3.39Å
185	E	97.9	Very high	97.8	Very high	85 Å²	85	61.3 Å²	61.3	40%	0.397	28%	0.281	S	S	.	.	I	π-helix	trans	-80	-26.5	178	-69.5	-179.4	165.5	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.41Å; L133-E185 HydrophobicContact CD2-CG 3.68Å; L154-E185 HydrophobicContact CD1-CG 4.18Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.35Å; R181-E185 VanDerWaalsContact CZ-OE1 3.24Å; R181-E185 IonicContact CZ-OE2 3.86Å; R181-E185 VanDerWaalsContact NE-CD 3.3Å; R181-E185 IonicContact NE-OE1 3.56Å; R181-E185 PolarHBondContact NE-OE1 2.91Å; R181-E185 IonicContact NE-OE2 2.82Å; R181-E185 PolarHBondContact NE-OE2 2.71Å; R181-E185 IonicContact NH2-OE1 3.46Å; R181-E185 PolarHBondContact NH2-OE1 3.47Å; R181-E185 IonicContact NH2-OE2 3.47Å; R181-E185 PolarHBondContact NH2-OE2 3.02Å; R181-E185 WeakPolarHBondContact O-CB 3.27Å; R181-E185 PolarHBondContact O-N 2.94Å
186	G	97.8	Very high	97.7	Very high	21 Å²	21	54.3 Å²	54.3	22%	0.216	26%	0.256	C	S	.	.	I	π-helix	trans	-105.8	-90.2	-179.4	0	0	0	0	0	112.3	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.32Å; A182-G186 VanDerWaalsContact O-N 3.1Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.3Å; G186-V189 PolarHBondContact O-N 2.91Å; G186-V189 VanDerWaalsContact O-N 3.1Å; G186-E190 WeakPolarHBondContact O-CG 3.45Å; G186-E190 PolarHBondContact O-N 3.15Å
187	T	97.6	Very high	97.6	Very high	50 Å²	50	58.1 Å²	58.1	31%	0.307	27%	0.273	S	S	.	.	I	π-helix	trans	-53.4	-43.3	-170.6	-55.1	0	0	0	0	113.2	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.94Å; Y183-T187 HydrophobicContact CE2-CG2 3.77Å; Y183-T187 PolarHBondContact O-N 3.31Å; Y183-T187 VanDerWaalsContact O-N 3.14Å; T187-E190 PolarHBondContact O-N 2.89Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 WeakPolarHBondContact O-CB 3.26Å; T187-W191 PolarHBondContact O-N 2.6Å
188	C	98.3	Very high	97.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.283	C	S	.	.	I	π-helix	trans	-61.2	-48.1	-179.8	-169.8	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.3Å; M29-C188 WeakPolarHBondContact CE-SG 3.31Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.3Å; C125-C188 PolarHBondContact N-SG 2.98Å; C125-C188 WeakPolarHBondContact SG-CB 3.01Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.42Å; Y183-C188 HydrophobicContact CD1-CB 4.5Å; Y183-C188 HydrophobicContact CE1-CB 4.08Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 3.48Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.3Å; C188-W191 PolarHBondContact O-N 2.82Å; C188-L192 WeakPolarHBondContact O-CB 3.31Å; C188-L192 PolarHBondContact O-N 3.22Å
189	V	98.3	Very high	97.4	Very high	8 Å²	8	54.8 Å²	54.8	5%	0.048	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-46.1	178.2	176.7	0	0	0	0	111.1	L127 L133 L184 G186 L192 R193	L127-V189 HydrophobicContact CD1-CG1 4.44Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 4.06Å; L184-V189 WeakPolarHBondContact O-CG2 3.39Å; G186-V189 PolarHBondContact O-N 2.91Å; G186-V189 VanDerWaalsContact O-N 3.1Å; V189-L192 PolarHBondContact O-N 2.96Å; V189-R193 WeakPolarHBondContact O-CG 3.43Å; V189-R193 PolarHBondContact O-N 2.97Å
190	E	97.9	Very high	97.2	Very high	124 Å²	124	54 Å²	54	58%	0.579	25%	0.253	S	S	*	.	H	α-helix	trans	-60.5	-47.2	179.8	-71.4	173.2	175.2	0	0	112.2	G186 T187 R193 R194	G186-E190 WeakPolarHBondContact O-CG 3.45Å; G186-E190 PolarHBondContact O-N 3.15Å; T187-E190 PolarHBondContact O-N 2.89Å; E190-R193 PolarHBondContact O-N 3.46Å; E190-R194 PolarHBondContact O-N 2.9Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	97.9	Very high	96.9	Very high	45 Å²	45	60.3 Å²	60.3	17%	0.17	28%	0.283	C	S	.	.	H	α-helix	trans	-69.2	-40.6	179.7	-82.1	97.8	0	0	0	112.3	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.08Å; M29-W191 HydrophobicContact SD-CB 4.45Å; Y83-W191 AromaticContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CZ2 4.27Å; Y83-W191 AromaticContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CD2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 AromaticContact CE2-CH2 3.9Å; Y83-W191 HydrophobicContact CE2-CH2 3.9Å; Y83-W191 AromaticContact CE2-CZ3 3.68Å; Y83-W191 HydrophobicContact CE2-CZ3 3.68Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 WeakPolarHBondContact O-CB 3.26Å; T187-W191 PolarHBondContact O-N 2.6Å; C188-W191 PolarHBondContact O-N 2.82Å; W191-R193 PolarHBondContact O-N 3.18Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 3.37Å; W191-Y195 HydrophobicContact CB-CE2 4.14Å; W191-Y195 HydrophobicContact CE3-CD1 4.4Å; W191-Y195 AromaticContact CE3-CE1 3.49Å; W191-Y195 HydrophobicContact CE3-CE1 3.49Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.49Å; W191-Y195 HydrophobicContact CE3-CE2 4.3Å; W191-Y195 AromaticContact CE3-CZ 3.42Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.42Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.32Å; W191-Y195 WeakPolarHBondContact O-CD2 3.4Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.17Å
192	L	98.1	Very high	96.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-44.4	176.1	175	50.4	0	0	0	111.2	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.48Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.94Å; M29-L192 HydrophobicContact CB-CG 4.22Å; M29-L192 HydrophobicContact CE-CB 4.27Å; M29-L192 HydrophobicContact SD-CB 4.49Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.21Å; L127-L192 HydrophobicContact CD1-CD2 3.67Å; L127-L192 HydrophobicContact CD1-CG 3.72Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.21Å; C188-L192 WeakPolarHBondContact O-CB 3.31Å; C188-L192 PolarHBondContact O-N 3.22Å; V189-L192 PolarHBondContact O-N 2.96Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.62Å; L192-Y195 PolarHBondContact O-N 3.27Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.19Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 2.6Å
193	R	96.8	Very high	96.2	Very high	125 Å²	125	56.5 Å²	56.5	47%	0.472	26%	0.26	S	S	.	.	H	α-helix	trans	-59	-43.8	174	-72.1	174.8	-178.2	171.1	-1	112.4	L127 G131 V189 E190 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.95Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 2.75Å; G131-R193 PolarHBondContact O-NH2 2.93Å; V189-R193 WeakPolarHBondContact O-CG 3.43Å; V189-R193 PolarHBondContact O-N 2.97Å; E190-R193 PolarHBondContact O-N 3.46Å; W191-R193 PolarHBondContact O-N 3.18Å; R193-L196 PolarHBondContact O-N 2.75Å; R193-E197 PolarHBondContact O-N 2.9Å
194	R	96.9	Very high	95.8	Very high	120 Å²	120	57.8 Å²	57.8	45%	0.453	27%	0.269	S	S	.	.	H	α-helix	trans	-61	-44.8	176.3	178.7	178.6	174.8	125.9	-4	111.6	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 2.76Å; E79-R194 IonicContact OE1-NE 2.75Å; E79-R194 PolarHBondContact OE1-NE 3Å; E79-R194 IonicContact OE1-NH2 3.24Å; E79-R194 PolarHBondContact OE1-NH2 2.94Å; E79-R194 IonicContact OE2-CZ 3.51Å; E79-R194 IonicContact OE2-NE 3.36Å; E79-R194 IonicContact OE2-NH2 3.34Å; E79-R194 PolarHBondContact OE2-NH2 3.18Å; E190-R194 PolarHBondContact O-N 2.9Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 3.37Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.62Å; R194-E197 PolarHBondContact O-N 3.28Å; R194-N198 WeakPolarHBondContact O-CB 3.3Å; R194-N198 PolarHBondContact O-N 3.48Å; R194-N198 PolarHBondContact O-OD1 2.86Å
195	Y	97.3	Very high	95.4	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-67	-39.2	178.6	-62.7	-29.2	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.75Å; M29-Y195 HydrophobicContact SD-CE2 3.58Å; M29-Y195 VanDerWaalsContact SD-CE2 3.58Å; V52-Y195 HydrophobicContact CG2-CD2 3.91Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; F57-Y195 HydrophobicContact CE2-CD2 4.46Å; F57-Y195 AromaticContact CE2-CE2 3.76Å; F57-Y195 HydrophobicContact CE2-CE2 3.76Å; F57-Y195 AromaticContact CE2-CZ 3.95Å; F57-Y195 HydrophobicContact CZ-CD2 4.34Å; F57-Y195 AromaticContact CZ-CE2 3.74Å; F57-Y195 HydrophobicContact CZ-CE2 3.74Å; W75-Y195 HydrophobicContact CE3-CD1 4.35Å; W75-Y195 HydrophobicContact CH2-CG 4.18Å; W75-Y195 AromaticContact CZ3-CD1 3.67Å; W75-Y195 HydrophobicContact CZ3-CD1 3.67Å; W75-Y195 HydrophobicContact CZ3-CD2 4.31Å; W75-Y195 HydrophobicContact CZ3-CE1 4.4Å; W75-Y195 AromaticContact CZ3-CG 3.63Å; W75-Y195 HydrophobicContact CZ3-CG 3.63Å; V76-Y195 HydrophobicContact CG2-CE1 4.32Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.37Å; Y83-Y195 PolarHBondContact OH-OH 2.99Å; W191-Y195 HydrophobicContact CB-CE2 4.14Å; W191-Y195 HydrophobicContact CE3-CD1 4.4Å; W191-Y195 AromaticContact CE3-CE1 3.49Å; W191-Y195 HydrophobicContact CE3-CE1 3.49Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.49Å; W191-Y195 HydrophobicContact CE3-CE2 4.3Å; W191-Y195 AromaticContact CE3-CZ 3.42Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.42Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.32Å; W191-Y195 WeakPolarHBondContact O-CD2 3.4Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.17Å; L192-Y195 PolarHBondContact O-N 3.27Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.86Å; Y195-N198 PolarHBondContact O-N 3.1Å; Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 3.22Å; Y195-L203 WeakPolarHBondContact O-CD1 3.15Å
196	L	95.9	Very high	95.1	Very high	13 Å²	13	59.4 Å²	59.4	7%	0.068	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-37.1	174.4	-71.9	169.8	0	0	0	112.1	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.43Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L192-L196 HydrophobicContact CD1-CD1 3.84Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.19Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 2.6Å; R193-L196 PolarHBondContact O-N 2.75Å; L196-K200 WeakPolarHBondContact O-CA 3.37Å; L196-K200 WeakPolarHBondContact O-CB 3.34Å; L196-K200 PolarHBondContact O-N 2.76Å; L196-L203 HydrophobicContact CD2-CB 4.14Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 PolarHBondContact O-NE2 2.93Å
197	E	95.6	Very high	94.9	Very high	122 Å²	122	61.4 Å²	61.4	57%	0.57	28%	0.283	S	S	*	.	H	α-helix	trans	-71.4	-48.5	175.1	-171	57.9	-146.8	0	0	111.4	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.9Å; R194-E197 PolarHBondContact O-N 3.28Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.86Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.43Å; E197-K200 WeakPolarHBondContact O-CB 3.42Å; E197-K200 PolarHBondContact O-N 2.75Å
198	N	96.3	Very high	94.8	Very high	52 Å²	52	64.3 Å²	64.3	28%	0.278	29%	0.293	S	S	.	.	H	α-helix	trans	-59	-42.9	178.2	-70.5	-5.2	0	0	0	112.3	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.5Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 3.5Å; Q78-N198 PolarHBondContact NE2-OD1 2.73Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.16Å; E79-N198 PolarHBondContact OE1-ND2 2.86Å; R194-N198 WeakPolarHBondContact O-CB 3.3Å; R194-N198 PolarHBondContact O-N 3.48Å; R194-N198 PolarHBondContact O-OD1 2.86Å; Y195-N198 PolarHBondContact O-N 3.1Å
199	G	95.3	Very high	94.8	Very high	2 Å²	2	64.7 Å²	64.7	2%	0.021	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	13.9	-176.4	0	0	0	0	0	113.9	Y195 E197 K201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 3.22Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.43Å; G199-K201 VanDerWaalsContact C-N 3.26Å; G199-K201 PolarHBondContact O-N 3Å; G199-T202 WeakPolarHBondContact O-CA 3.4Å; G199-T202 PolarHBondContact O-N 2.94Å; G199-L203 PolarHBondContact O-N 3.16Å
200	K	93.2	Very high	94.8	Very high	105 Å²	105	71.9 Å²	71.9	46%	0.457	33%	0.326	S	S	.	.	H	α-helix	trans	-46.7	-44.5	-170.3	-175.4	171	-172.1	168.8	0	114.4	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.37Å; L196-K200 WeakPolarHBondContact O-CB 3.34Å; L196-K200 PolarHBondContact O-N 2.76Å; E197-K200 WeakPolarHBondContact O-CB 3.42Å; E197-K200 PolarHBondContact O-N 2.75Å; K200-T202 PolarHBondContact O-N 2.87Å; K200-Q204 WeakPolarHBondContact O-CB 3.34Å; K200-Q204 PolarHBondContact O-N 3.28Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
201	K	90.9	Very high	94.8	Very high	198 Å²	198	67.6 Å²	67.6	86%	0.861	31%	0.308	S	S	*	.	H	α-helix	trans	-64.8	-25.2	179.6	-66.7	-177.5	179.2	178.1	0	114.1	G199	G199-K201 VanDerWaalsContact C-N 3.26Å; G199-K201 PolarHBondContact O-N 3Å
202	T	90.4	Very high	94.7	Very high	48 Å²	48	69.3 Å²	69.3	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-105.5	-39.5	-175.9	-48.3	0	0	0	0	112.2	G199 K200 R205	G199-T202 WeakPolarHBondContact O-CA 3.4Å; G199-T202 PolarHBondContact O-N 2.94Å; K200-T202 PolarHBondContact O-N 2.87Å; T202-R205 WeakPolarHBondContact O-CD 3.4Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.45Å; T202-R205 PolarHBondContact O-NE 2.73Å
203	L	91.4	Very high	94.7	Very high	4 Å²	4	70.4 Å²	70.4	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-87.4	-31.5	-174	-63.2	172.7	0	0	0	112.8	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.24Å; V52-L203 HydrophobicContact CB-CD2 4.11Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CG 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.35Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.08Å; W75-L203 HydrophobicContact CZ2-CG 4.37Å; Y195-L203 WeakPolarHBondContact O-CD1 3.15Å; L196-L203 HydrophobicContact CD2-CB 4.14Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 PolarHBondContact O-N 3.16Å
204	Q	89.1	Confident	94.7	Very high	91 Å²	91	66.1 Å²	66.1	43%	0.425	31%	0.312	S	S	.	.	S	Bend	trans	-102.2	27.5	178	-57.3	176.5	23.9	0	0	111.6	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.93Å; K200-Q204 WeakPolarHBondContact O-CB 3.34Å; K200-Q204 PolarHBondContact O-N 3.28Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
205	R	90.4	Very high	94.6	Very high	80 Å²	80	63 Å²	63	30%	0.302	30%	0.303	S	S	.	.			trans	-96.9	148	170.2	79.1	-171.1	166.4	168.3	-3.3	108.6	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.4Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.45Å; T202-R205 PolarHBondContact O-NE 2.73Å; R205-E207 WeakPolarHBondContact CD-OE1 3.29Å; R205-E207 HydrophobicContact CG-CG 4.44Å; R205-E207 IonicContact CZ-OE1 3.94Å; R205-E207 IonicContact NE-OE1 3.35Å; R205-E207 PolarHBondContact NE-OE1 3.33Å; R205-E207 IonicContact NH1-OE1 2.6Å; R205-E207 PolarHBondContact NH1-OE1 3.01Å; R205-E207 IonicContact NH2-OE1 3.17Å; R205-Y233 HydrophobicContact CG-CD1 4.04Å; R205-Y233 HydrophobicContact CG-CE1 4.45Å; R205-Y233 WeakPolarHBondContact O-CD1 3.47Å
206	A	92.1	Very high	94.5	Very high	38 Å²	38	66.9 Å²	66.9	31%	0.314	32%	0.321	S	S	.	.			trans	-120.1	121	163.9	0	0	0	0	0	108	Y233	A206-Y233 CarbonylContact C-O 3.52Å; A206-Y233 VanDerWaalsContact CA-O 3.32Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å
207	E	94.3	Very high	94.4	Very high	63 Å²	63	71 Å²	71	29%	0.294	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-99.9	118.4	175.3	-66.4	-172.4	-158.5	0	0	108.4	R205 F232 Y233 T264 H287	R205-E207 WeakPolarHBondContact CD-OE1 3.29Å; R205-E207 HydrophobicContact CG-CG 4.44Å; R205-E207 IonicContact CZ-OE1 3.94Å; R205-E207 IonicContact NE-OE1 3.35Å; R205-E207 PolarHBondContact NE-OE1 3.33Å; R205-E207 IonicContact NH1-OE1 2.6Å; R205-E207 PolarHBondContact NH1-OE1 3.01Å; R205-E207 IonicContact NH2-OE1 3.17Å; E207-F232 WeakPolarHBondContact O-CA 3.31Å; E207-F232 WeakPolarHBondContact O-CB 3.38Å; E207-Y233 PolarHBondContact N-O 2.94Å; E207-Y233 PolarHBondContact O-N 3.1Å; E207-Y233 VanDerWaalsContact O-N 3.1Å; E207-T264 WeakPolarHBondContact OE2-CG2 2.96Å; E207-H287 PolarHBondContact O-CE1 2.88Å; E207-H287 VanDerWaalsContact O-CE1 3.23Å
208	H	95.3	Very high	94.2	Very high	111 Å²	111	69.7 Å²	69.7	51%	0.514	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-66.9	143.1	-177.1	-32.5	-85.9	0	0	0	111.4	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.77Å; H208-G289 PolarHBondContact CE1-O 3.31Å; H208-G289 PolarHBondContact ND1-O 3.41Å; H208-L290 HydrophobicContact CB-CD2 4.11Å
209	P	97.6	Very high	94	Very high	9 Å²	9	69.8 Å²	69.8	6%	0.058	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-67.1	130.3	175.6	28.2	-34.7	0	0	0	111.4	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.37Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; P209-V285 HydrophobicContact CG-CG1 3.97Å; P209-H287 HydrophobicContact CG-CB 4.02Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.2Å
210	K	97.9	Very high	93.7	Very high	158 Å²	158	76.7 Å²	76.7	69%	0.687	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	110.8	163.9	-65.8	172.7	-173.3	166.1	0	107.9	H208 L230	H208-K210 PolarHBondContact O-N 2.77Å; K210-L230 PolarHBondContact N-O 3.24Å; K210-L230 PolarHBondContact O-N 2.95Å
211	T	97.7	Very high	93.7	Very high	34 Å²	34	78.7 Å²	78.7	21%	0.209	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145.3	-172	58.4	0	0	0	0	112.8	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.37Å; T211-W228 WeakPolarHBondContact CA-O 3.43Å; T211-W228 WeakPolarHBondContact CB-O 3.39Å; T211-A229 HydrophobicContact CG2-CB 4.26Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.15Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; T211-L294 HydrophobicContact CG2-CD1 4.37Å; T211-L296 VanDerWaalsContact CB-CD1 3.46Å; T211-L296 HydrophobicContact CG2-CD1 4.17Å
212	H	96.7	Very high	93.9	Very high	82 Å²	82	73.7 Å²	73.7	38%	0.38	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	158.5	172.8	62.6	-74.8	0	0	0	110.4	W228	H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.43Å; H212-W228 AromaticContact CE1-CD1 3.95Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 3.44Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.75Å; H212-W228 PolarHBondContact O-N 2.92Å
213	V	97.9	Very high	94.1	Very high	23 Å²	23	71.4 Å²	71.4	14%	0.139	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.8	175.8	-178	0	0	0	0	109.2	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; V213-R226 WeakPolarHBondContact CA-O 3.34Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.31Å; V213-L296 HydrophobicContact CG2-CB 3.86Å; V213-W298 HydrophobicContact CB-CB 4.43Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214	T	96.5	Very high	94.4	Very high	34 Å²	34	72.3 Å²	72.3	21%	0.209	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	147.3	174.9	53.3	0	0	0	0	110	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.07Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; T214-L225 WeakPolarHBondContact O-CA 3.43Å; T214-R226 PolarHBondContact N-O 3.39Å; T214-R226 PolarHBondContact O-N 3.04Å; T214-R226 WeakPolarHBondContact OG1-CB 3.28Å; T214-R226 PolarHBondContact OG1-O 3.43Å; T214-R226 VanDerWaalsContact OG1-O 3.09Å; T214-W228 PolarHBondContact OG1-NE1 2.63Å
215	H	95.4	Very high	94.8	Very high	56 Å²	56	68 Å²	68	26%	0.259	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.6	-178.6	168.9	-90.5	0	0	0	109.4	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.4Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; H215-E278 IonicContact NE2-OE1 3.38Å; H215-W298 HydrophobicContact CB-CD2 4.23Å; H215-W298 HydrophobicContact CB-CG 4.23Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 AromaticContact CD2-CZ2 3.99Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact CG-NE1 3.95Å
216	H	94.3	Very high	95.2	Very high	81 Å²	81	66.6 Å²	66.6	38%	0.375	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	104.8	-178.9	-58.1	83	0	0	0	108.7	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.07Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; H216-V218 PolarHBondContact O-N 3.32Å; H216-A223 CarbonylContact O-C 3.46Å; H216-A223 WeakPolarHBondContact O-CA 3.14Å; H216-T224 PolarHBondContact N-O 3.23Å; H216-T224 PolarHBondContact O-N 3.35Å; H216-R226 PolarHBondContact CE1-NH1 2.71Å
217	P	93.4	Very high	95.5	Very high	100 Å²	100	64.8 Å²	64.8	65%	0.649	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	130.4	172.3	-19.1	29.6	0	0	0	110.2
218	V	91.6	Very high	95.7	Very high	95 Å²	95	64 Å²	64	58%	0.576	33%	0.326	S	S	*	.			trans	-103.3	-41.6	176	-178.9	0	0	0	0	109.9	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.32Å; V218-E222 PolarHBondContact N-O 3.03Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.43Å
219	S	92.3	Very high	95.8	Very high	53 Å²	53	58.8 Å²	58.8	37%	0.371	30%	0.302	S	S	.	.	S	Bend	trans	-147.8	-178.7	174.9	72.1	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.35Å; S219-H221 PolarHBondContact OG-N 3.37Å; S219-E222 PolarHBondContact N-O 3.22Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 2.87Å
220	D	89.6	Confident	95.9	Very high	148 Å²	148	61 Å²	61	79%	0.791	31%	0.313	S	S	*	.	S	Bend	trans	-62.9	-20.4	172.9	-65.1	-22.8	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 2.99Å
221	H	92.8	Very high	95.9	Very high	146 Å²	146	54.4 Å²	54.4	68%	0.676	29%	0.29	S	S	*	.	S	Bend	trans	-105.8	-16.2	-174.7	-56.2	-50.8	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.35Å; S219-H221 PolarHBondContact OG-N 3.37Å; H221-P274 WeakPolarHBondContact O-CA 3.23Å; H221-S275 PolarHBondContact O-N 3.27Å; H221-S275 PolarHBondContact O-OG 3.05Å
222	E	95	Very high	95.8	Very high	93 Å²	93	52.8 Å²	52.8	44%	0.435	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145.1	-171.5	-66.1	-179.5	164.3	0	0	112.5	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.03Å; S219-E222 PolarHBondContact N-O 3.22Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 2.87Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; E222-V273 WeakPolarHBondContact CA-O 3.45Å; E222-S275 PolarHBondContact N-OG 3.01Å
223	A	95.4	Very high	95.8	Very high	1 Å²	1	49 Å²	49	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.8	171.2	0	0	0	0	0	110.9	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.4Å; H216-A223 CarbonylContact O-C 3.46Å; H216-A223 WeakPolarHBondContact O-CA 3.14Å; A223-V273 HydrophobicContact CB-CG2 4.46Å; A223-V273 PolarHBondContact N-O 2.99Å; A223-V273 WeakPolarHBondContact O-CG2 3.09Å; A223-V273 PolarHBondContact O-N 3.21Å
224	T	97.4	Very high	95.6	Very high	23 Å²	23	48.8 Å²	48.8	14%	0.141	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.7	170	-54.3	0	0	0	0	109.7	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.23Å; H216-T224 PolarHBondContact O-N 3.35Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.43Å; T224-A270 HydrophobicContact CG2-CB 3.91Å; T224-V271 WeakPolarHBondContact CA-O 3.34Å
225	L	97.8	Very high	95.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	126.1	165.6	-63.6	-175.9	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; T214-L225 WeakPolarHBondContact O-CA 3.43Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.05Å; L225-V271 HydrophobicContact CB-CG1 4.27Å; L225-V271 PolarHBondContact N-O 3.1Å; L225-V271 PolarHBondContact O-N 2.93Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD1-CG 4.49Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; L225-W298 HydrophobicContact CD1-CB 4.36Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.36Å; L225-W298 HydrophobicContact CD2-CG 3.93Å
226	R	98.2	Very high	95.6	Very high	50 Å²	50	52.2 Å²	52.2	19%	0.189	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	116.9	176.5	-178.7	-177.5	-60.8	112.7	3.5	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.34Å; T214-R226 PolarHBondContact N-O 3.39Å; T214-R226 PolarHBondContact O-N 3.04Å; T214-R226 WeakPolarHBondContact OG1-CB 3.28Å; T214-R226 PolarHBondContact OG1-O 3.43Å; T214-R226 VanDerWaalsContact OG1-O 3.09Å; H216-R226 PolarHBondContact CE1-NH1 2.71Å; R226-W228 VanDerWaalsContact CD-CE2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.23Å; R226-A269 WeakPolarHBondContact CA-O 3.38Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.3	Very high	95.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.4	175.4	-173.6	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CH2 4.48Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.46Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; C227-A269 PolarHBondContact N-O 3.32Å; C227-A269 PolarHBondContact O-N 3.2Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.41Å; C227-C283 WeakPolarHBondContact SG-CB 3.32Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.07Å
228	W	98.4	Very high	95.9	Very high	48 Å²	48	46.8 Å²	46.8	18%	0.182	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.2	179.9	-70	89.7	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.43Å; T211-W228 WeakPolarHBondContact CB-O 3.39Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.43Å; H212-W228 AromaticContact CE1-CD1 3.95Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 3.44Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.75Å; H212-W228 PolarHBondContact O-N 2.92Å; T214-W228 PolarHBondContact OG1-NE1 2.63Å; R226-W228 VanDerWaalsContact CD-CE2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.63Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å
229	A	98.4	Very high	96.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.6	162.2	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 4.26Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.79Å; A229-F232 WeakPolarHBondContact O-CE1 3.15Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; A229-L239 HydrophobicContact CB-CD1 4.06Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.3Å; A229-K267 PolarHBondContact N-O 2.04Å; A229-K267 PolarHBondContact O-N 3.47Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	98.3	Very high	96.5	Very high	56 Å²	56	42 Å²	42	29%	0.293	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.2	-175.1	-58.6	177	0	0	0	111	K210 W228 Q266	K210-L230 PolarHBondContact N-O 3.24Å; K210-L230 PolarHBondContact O-N 2.95Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	97.4	Very high	96.9	Very high	20 Å²	20	35 Å²	35	21%	0.206	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.8	34.7	168.4	0	0	0	0	0	113.7	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; G231-F265 PolarHBondContact N-O 3.2Å
232	F	97.1	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	155.3	179.5	59.1	-90.3	0	0	0	112.5	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.31Å; E207-F232 WeakPolarHBondContact O-CB 3.38Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.79Å; A229-F232 WeakPolarHBondContact O-CE1 3.15Å; F232-P234 WeakPolarHBondContact CD2-O 3.44Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.26Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.91Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; F232-T257 HydrophobicContact CE2-CG2 4.05Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 WeakPolarHBondContact O-CA 3.39Å; F232-F265 WeakPolarHBondContact CD1-O 3.39Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.35Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.01Å; F232-F265 PolarHBondContact O-N 3.41Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.78Å; F232-H287 AromaticContact CD2-NE2 3.68Å
233	Y	95.6	Very high	97.2	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.012	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-151.2	135.8	173.5	178.8	-83.8	0	0	0	108.7	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.13Å; T55-Y233 PolarHBondContact OG1-OH 2.69Å; R205-Y233 HydrophobicContact CG-CD1 4.04Å; R205-Y233 HydrophobicContact CG-CE1 4.45Å; R205-Y233 WeakPolarHBondContact O-CD1 3.47Å; A206-Y233 CarbonylContact C-O 3.52Å; A206-Y233 VanDerWaalsContact CA-O 3.32Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; E207-Y233 PolarHBondContact N-O 2.94Å; E207-Y233 PolarHBondContact O-N 3.1Å; E207-Y233 VanDerWaalsContact O-N 3.1Å; Y233-G263 WeakPolarHBondContact CD2-O 3.04Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 AromaticContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CE2-CE2 4.42Å; Y233-H287 PolarHBondContact O-CE1 2.78Å
234	P	94.9	Very high	97.2	Very high	17 Å²	17	34.2 Å²	34.2	11%	0.11	18%	0.175	C	C	.	.	S	Bend	cis	-72.2	179.2	2.5	30.7	-36.5	0	0	0	113.3	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.2Å; F232-P234 WeakPolarHBondContact CD2-O 3.44Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.19Å; P234-H287 PolarHBondContact O-NE2 3.19Å; P234-E288 WeakPolarHBondContact CG-OE2 2.97Å
235	A	96.2	Very high	97	Very high	15 Å²	15	35.4 Å²	35.4	12%	0.124	19%	0.192	C	C	.	.	S	Bend	trans	-70.3	-24.8	-175.5	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.27Å; D54-A235 PolarHBondContact OD2-N 3.44Å; A235-I237 PolarHBondContact O-N 2.87Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.69Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	95.4	Very high	96.9	Very high	147 Å²	147	41.7 Å²	41.7	69%	0.687	22%	0.221	S	C	*	.			trans	-64.7	116.7	179.3	-170.7	58.5	-143.7	0	0	110.1	P234 H287	P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.19Å; E236-H287 PolarHBondContact O-CD2 3.16Å
237	I	96.4	Very high	96.8	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.051	24%	0.236	C	C	.	.			trans	-152.3	141.8	-178.5	-164.9	169.4	0	0	0	109.4	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.26Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.91Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.84Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; A235-I237 PolarHBondContact O-N 2.87Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.62Å; I237-L239 HydrophobicContact CG2-CD1 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; I237-V285 HydrophobicContact CD1-CG1 3.99Å; I237-V285 HydrophobicContact CG1-CG1 4.32Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.29Å; I237-H287 HydrophobicContact CD1-CB 4.17Å; I237-H287 HydrophobicContact CG1-CB 3.99Å
238	T	97.4	Very high	96.6	Very high	58 Å²	58	44.4 Å²	44.4	36%	0.356	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124	174.3	-63.1	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; T238-Q286 PolarHBondContact N-O 3.35Å; T238-Q286 PolarHBondContact O-N 3.49Å
239	L	97.9	Very high	96.3	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.1	173.1	-86.4	62.7	0	0	0	108.3	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.06Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.62Å; I237-L239 HydrophobicContact CG2-CD1 4.11Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.41Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; L239-H284 WeakPolarHBondContact CA-O 3.46Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97.8	Very high	96	Very high	39 Å²	39	56.4 Å²	56.4	24%	0.239	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.1	176.3	57.3	0	0	0	0	111.4	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.43Å; T240-H284 PolarHBondContact N-O 3.22Å; T240-H284 PolarHBondContact O-N 2.8Å
241	W	98.2	Very high	95.5	Very high	2 Å²	2	59 Å²	59	1%	0.008	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.2	168.5	-82.7	106	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.31Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; C227-W241 HydrophobicContact CB-CH2 4.48Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 2.86Å; W241-A269 PolarHBondContact NE1-O 2.99Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CB 4.46Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 3.99Å; W241-V271 HydrophobicContact CG-CB 4.15Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.31Å; W241-T282 WeakPolarHBondContact CA-O 3.45Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å
242	Q	97.9	Very high	95.5	Very high	40 Å²	40	59.2 Å²	59.2	19%	0.187	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.2	171.3	-70.6	-174.2	-5.3	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.47Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.37Å; Q242-D247 PolarHBondContact NE2-OD1 2.82Å; Q242-Y281 CarbonylContact O-C 3.49Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.34Å; Q242-T282 PolarHBondContact N-O 3.4Å; Q242-T282 PolarHBondContact O-N 3.24Å; Q242-H284 PolarHBondContact OE1-NE2 2.86Å
243	R	97.4	Very high	95.5	Very high	83 Å²	83	64.7 Å²	64.7	31%	0.313	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.5	168.2	-177.5	-180	69.6	-166.8	-4	108.4	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 2.89Å; R243-E246 PolarHBondContact N-O 3.08Å; R243-E246 PolarHBondContact O-N 2.8Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; R243-R280 WeakPolarHBondContact CA-O 3.43Å; R243-R280 HydrophobicContact CG-CB 4.35Å; R243-Y281 HydrophobicContact CB-CD1 4.04Å; R243-Y281 HydrophobicContact CB-CE1 3.85Å; R243-Y281 VanDerWaalsContact CD-CZ 3.48Å; R243-Y281 VanDerWaalsContact CD-OH 3.31Å; R243-Y281 WeakPolarHBondContact CD-OH 3.21Å; R243-Y281 HydrophobicContact CG-CD1 4.42Å; R243-Y281 HydrophobicContact CG-CE1 4.04Å; R243-Y281 HydrophobicContact CG-CE2 4.2Å
244	D	95.3	Very high	95.5	Very high	100 Å²	100	68.8 Å²	68.8	54%	0.535	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	30.5	-175.3	-54.5	-47	0	0	0	114.1	R280	D244-R280 PolarHBondContact N-O 3.4Å; D244-R280 IonicContact OD1-NE 2.73Å; D244-R280 PolarHBondContact OD1-NE 3.46Å; D244-R280 IonicContact OD2-CZ 3.94Å; D244-R280 IonicContact OD2-NE 2.63Å; D244-R280 PolarHBondContact OD2-NE 3.03Å; D244-R280 IonicContact OD2-NH2 3.64Å; D244-R280 PolarHBondContact OD2-NH2 2.88Å
245	G	91.9	Very high	95.6	Very high	49 Å²	49	69.6 Å²	69.6	51%	0.505	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-1.5	-177.9	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 2.89Å
246	E	96.1	Very high	95.7	Very high	131 Å²	131	77 Å²	77	61%	0.612	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.3	176	-63.4	-174.8	166.6	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.47Å; R243-E246 PolarHBondContact N-O 3.08Å; R243-E246 PolarHBondContact O-N 2.8Å; E246-Q248 PolarHBondContact O-NE2 2.99Å
247	D	95.9	Very high	95.8	Very high	94 Å²	94	72.2 Å²	72.2	50%	0.503	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	133.7	179.4	-70.3	-23.4	0	0	0	112.4	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.37Å; Q242-D247 PolarHBondContact NE2-OD1 2.82Å
248	Q	95.8	Very high	95.8	Very high	14 Å²	14	76.3 Å²	76.3	7%	0.065	40%	0.396	C	S	.	.			trans	-104.3	38.4	-178	-57.9	-58.2	-68	0	0	112.2	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 2.86Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; E246-Q248 PolarHBondContact O-NE2 2.99Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.36Å; Q248-D251 PolarHBondContact O-N 2.89Å; Q248-T252 WeakPolarHBondContact O-CB 3.2Å; Q248-T252 PolarHBondContact O-N 2.81Å; Q248-T252 PolarHBondContact O-OG1 3.06Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å
249	T	91	Very high	95.8	Very high	107 Å²	107	78 Å²	78	66%	0.656	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.5	-169.2	-47	0	0	0	0	114.1
250	Q	91.3	Very high	95.8	Very high	192 Å²	192	80.1 Å²	80.1	90%	0.897	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-32.3	-178.7	-66.9	-174	3.7	0	0	113	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.36Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	89.7	Confident	95.5	Very high	112 Å²	112	82 Å²	82	60%	0.599	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	0.3	-177.7	-56.7	-51.3	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 2.89Å
252	T	95.8	Very high	95.3	Very high	23 Å²	23	87.2 Å²	87.2	14%	0.141	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.4	179.5	-63.7	0	0	0	0	110.8	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.2Å; Q248-T252 PolarHBondContact O-N 2.81Å; Q248-T252 PolarHBondContact O-OG1 3.06Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.4Å; T252-L254 PolarHBondContact O-N 3.03Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.19Å
253	E	97.2	Very high	95	Very high	115 Å²	115	87.2 Å²	87.2	54%	0.537	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	106.6	163.1	-173.5	-174	-171.5	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.47Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.47Å; E253-A269 CarbonylContact O-C 3.51Å; E253-A269 WeakPolarHBondContact O-CA 3.13Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.36Å; E253-A270 PolarHBondContact O-N 3.34Å
254	L	97.1	Very high	94.9	Very high	89 Å²	89	83.6 Å²	83.6	47%	0.466	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.5	178	-174.2	68.4	0	0	0	110	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.4Å; T252-L254 PolarHBondContact O-N 3.03Å; L254-K267 HydrophobicContact CD1-CD 4.45Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
255	V	96.9	Very high	95	Very high	34 Å²	34	80.1 Å²	80.1	21%	0.206	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-83.8	153.6	174.8	-65	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.5Å; V255-K267 WeakPolarHBondContact O-CG 3.38Å; V255-K267 PolarHBondContact O-NZ 2.74Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.37Å; V255-W268 WeakPolarHBondContact CG2-O 3.48Å; V255-W268 PolarHBondContact N-O 2.82Å
256	E	96.9	Very high	95.4	Very high	172 Å²	172	79.9 Å²	79.9	80%	0.804	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-57.7	147.7	167.4	-67.5	-175.3	173.4	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 2.8Å
257	T	97.9	Very high	95.5	Very high	46 Å²	46	74.8 Å²	74.8	28%	0.282	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-67.6	130.1	174.3	-56.1	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.05Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.46Å; T257-K267 PolarHBondContact OG1-NZ 2.85Å
258	R	97.5	Very high	95.6	Very high	96 Å²	96	71.4 Å²	71.4	36%	0.362	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.4	-174.8	68.7	-168.5	-179	-169.2	2.5	111.6	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.8Å; R258-F265 WeakPolarHBondContact O-CA 3.38Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 2.9Å; R258-Q266 WeakPolarHBondContact O-CG 3.5Å; R258-Q266 PolarHBondContact O-N 3.28Å
259	P	97.3	Very high	95.7	Very high	93 Å²	93	70.8 Å²	70.8	60%	0.604	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	145.1	178.1	28.5	-34.6	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.33Å
260	A	96.6	Very high	96	Very high	51 Å²	51	65.8 Å²	65.8	42%	0.421	37%	0.368	S	S	.	.			trans	-88.9	-17.1	173.2	0	0	0	0	0	112.9	T264	A260-T264 WeakPolarHBondContact CB-O 3.09Å; A260-T264 PolarHBondContact N-O 2.91Å
261	G	93	Very high	96.4	Very high	78 Å²	78	56.8 Å²	56.8	80%	0.804	33%	0.326	S	S	*	.	S	Bend	trans	96.5	-8.4	178.9	0	0	0	0	0	114.9
262	D	92.4	Very high	96.7	Very high	112 Å²	112	55.1 Å²	55.1	60%	0.599	32%	0.32	S	S	*	.	S	Bend	trans	-104	11.5	176.4	60.9	0.6	0	0	0	113.1	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.33Å; D262-T264 PolarHBondContact OD1-N 2.9Å; D262-T264 PolarHBondContact OD1-OG1 3.1Å
263	G	91.3	Very high	96.7	Very high	41 Å²	41	54 Å²	54	42%	0.423	31%	0.313	S	S	.	.	S	Bend	trans	88.5	1.5	-173.9	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.04Å
264	T	96.4	Very high	96.7	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.043	30%	0.303	C	S	.	.			trans	-105.9	173.6	172.7	74.1	0	0	0	0	112.2	E207 G231 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 2.96Å; G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; F232-T264 WeakPolarHBondContact O-CA 3.39Å; A260-T264 WeakPolarHBondContact CB-O 3.09Å; A260-T264 PolarHBondContact N-O 2.91Å; D262-T264 WeakPolarHBondContact OD1-CB 3.33Å; D262-T264 PolarHBondContact OD1-N 2.9Å; D262-T264 PolarHBondContact OD1-OG1 3.1Å
265	F	98.1	Very high	96.5	Very high	26 Å²	26	49.3 Å²	49.3	11%	0.114	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	162.7	-177.3	-63.5	-86	0	0	0	112.3	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.67Å; G231-F265 PolarHBondContact N-O 3.2Å; F232-F265 WeakPolarHBondContact CD1-O 3.39Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.35Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.01Å; F232-F265 PolarHBondContact O-N 3.41Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 AromaticContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CE2-CE2 4.42Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.69Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.38Å; P259-F265 HydrophobicContact CB-CE1 4.33Å
266	Q	98.3	Very high	96.2	Very high	45 Å²	45	50.7 Å²	50.7	21%	0.21	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.3	174.1	43.5	167.1	-23.8	0	0	110	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.3Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 2.9Å; R258-Q266 WeakPolarHBondContact O-CG 3.5Å; R258-Q266 PolarHBondContact O-N 3.28Å
267	K	98.6	Very high	96.1	Very high	23 Å²	23	45.5 Å²	45.5	10%	0.1	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	154.6	177	-162.8	-175.4	-172.1	70.3	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.04Å; A229-K267 PolarHBondContact O-N 3.47Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.41Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L254-K267 HydrophobicContact CD1-CD 4.45Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.5Å; V255-K267 WeakPolarHBondContact O-CG 3.38Å; V255-K267 PolarHBondContact O-NZ 2.74Å; T257-K267 WeakPolarHBondContact OG1-CD 3.46Å; T257-K267 PolarHBondContact OG1-NZ 2.85Å
268	W	98.4	Very high	95.9	Very high	24 Å²	24	44.3 Å²	44.3	9%	0.091	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.9	169.5	58.8	-98.5	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.23Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.46Å; C227-W268 WeakPolarHBondContact O-CB 3.45Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.63Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å; E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.47Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.47Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.28Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.37Å; V255-W268 WeakPolarHBondContact CG2-O 3.48Å; V255-W268 PolarHBondContact N-O 2.82Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
269	A	98.3	Very high	95.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.7	173.8	0	0	0	0	0	108.4	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.38Å; C227-A269 PolarHBondContact N-O 3.32Å; C227-A269 PolarHBondContact O-N 3.2Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; W241-A269 PolarHBondContact NE1-O 2.99Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.51Å; E253-A269 WeakPolarHBondContact O-CA 3.13Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
270	A	98.1	Very high	95.7	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.1	179.6	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.91Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.05Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.19Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.36Å; E253-A270 PolarHBondContact O-N 3.34Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
271	V	97.8	Very high	95.7	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.7	176	63.5	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.34Å; L225-V271 HydrophobicContact CB-CG1 4.27Å; L225-V271 PolarHBondContact N-O 3.1Å; L225-V271 PolarHBondContact O-N 2.93Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CB 4.46Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 3.99Å; W241-V271 HydrophobicContact CG-CB 4.15Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.31Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V271-Y281 HydrophobicContact CG1-CD1 4.08Å; V271-Y281 HydrophobicContact CG2-CD1 4.47Å; V271-Y281 HydrophobicContact CG2-CE1 4.18Å
272	V	97.4	Very high	96	Very high	76 Å²	76	39.4 Å²	39.4	46%	0.461	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.9	171.8	-178.8	0	0	0	0	108	E222	E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.32Å
273	V	96.4	Very high	96.2	Very high	1 Å²	1	34 Å²	34	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146	-175.7	-52.3	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.45Å; A223-V273 HydrophobicContact CB-CG2 4.46Å; A223-V273 PolarHBondContact N-O 2.99Å; A223-V273 WeakPolarHBondContact O-CG2 3.09Å; A223-V273 PolarHBondContact O-N 3.21Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.45Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 4.01Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.54Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.1	Very high	96.5	Very high	49 Å²	49	33.7 Å²	33.7	32%	0.318	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	139.8	169.8	-20.4	32.5	0	0	0	111.4	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.23Å; P274-G276 PolarHBondContact O-N 3.37Å; P274-E277 HydrophobicContact CB-CB 4.28Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.5Å; P274-E277 PolarHBondContact O-N 3.34Å
275	S	91.9	Very high	96.6	Very high	55 Å²	55	33.4 Å²	33.4	39%	0.385	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	127	174.6	-64.1	0	0	0	0	110.7	D220 H221 E222 E278	D220-S275 PolarHBondContact O-OG 2.99Å; H221-S275 PolarHBondContact O-N 3.27Å; H221-S275 PolarHBondContact O-OG 3.05Å; E222-S275 PolarHBondContact N-OG 3.01Å; S275-E278 WeakPolarHBondContact CA-OE1 3.36Å
276	G	90.8	Very high	96.5	Very high	64 Å²	64	35.8 Å²	35.8	66%	0.66	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.8	-8	-178.6	0	0	0	0	0	115	P274 E278	P274-G276 PolarHBondContact O-N 3.37Å; G276-E278 WeakPolarHBondContact CA-OE2 3.41Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.72Å; G276-E278 PolarHBondContact N-OE2 2.85Å
277	E	94.8	Very high	96.4	Very high	63 Å²	63	33.8 Å²	33.8	29%	0.294	19%	0.186	S	C	.	.			trans	-98.5	3.5	175.9	-66.2	-163.3	-161.6	0	0	113.5	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.28Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.5Å; P274-E277 PolarHBondContact O-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.47Å; E277-R280 WeakPolarHBondContact O-CB 3.4Å; E277-R280 PolarHBondContact O-N 3.21Å; E277-R280 IonicContact OE1-NH1 3.88Å; E277-R280 IonicContact OE2-CZ 3.69Å; E277-R280 IonicContact OE2-NH1 3.11Å; E277-R280 PolarHBondContact OE2-NH1 3.5Å; E277-Y281 HydrophobicContact CB-CE2 4.3Å; E277-Y281 WeakPolarHBondContact O-CD2 3.42Å
278	E	94.3	Very high	96.1	Very high	20 Å²	20	36.2 Å²	36.2	9%	0.093	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-57.6	-31.7	-170.8	-56.4	82.1	-179.3	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.38Å; L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD1-CG 4.49Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.36Å; G276-E278 WeakPolarHBondContact CA-OE2 3.41Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.72Å; G276-E278 PolarHBondContact N-OE2 2.85Å; E278-R280 PolarHBondContact O-N 2.95Å; E278-Y281 PolarHBondContact O-N 3.39Å; E278-W298 HydrophobicContact CB-CD2 4.33Å; E278-W298 HydrophobicContact CB-CE3 3.33Å; E278-W298 HydrophobicContact CB-CZ3 3.69Å; E278-W298 HydrophobicContact CG-CE3 3.7Å; E278-W298 HydrophobicContact CG-CZ3 3.67Å
279	Q	94.5	Very high	95.7	Very high	94 Å²	94	35.5 Å²	35.5	44%	0.439	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-71.6	-16.2	-179.7	-63	-55.4	-47.6	0	0	114.1	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.47Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 2.87Å
280	R	96.1	Very high	95.5	Very high	104 Å²	104	36 Å²	36	39%	0.392	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-77.3	-16.6	173.7	-62.1	174.3	67.5	-177.2	7	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.43Å; R243-R280 HydrophobicContact CG-CB 4.35Å; D244-R280 PolarHBondContact N-O 3.4Å; D244-R280 IonicContact OD1-NE 2.73Å; D244-R280 PolarHBondContact OD1-NE 3.46Å; D244-R280 IonicContact OD2-CZ 3.94Å; D244-R280 IonicContact OD2-NE 2.63Å; D244-R280 PolarHBondContact OD2-NE 3.03Å; D244-R280 IonicContact OD2-NH2 3.64Å; D244-R280 PolarHBondContact OD2-NH2 2.88Å; E277-R280 WeakPolarHBondContact O-CB 3.4Å; E277-R280 PolarHBondContact O-N 3.21Å; E277-R280 IonicContact OE1-NH1 3.88Å; E277-R280 IonicContact OE2-CZ 3.69Å; E277-R280 IonicContact OE2-NH1 3.11Å; E277-R280 PolarHBondContact OE2-NH1 3.5Å; E278-R280 PolarHBondContact O-N 2.95Å
281	Y	97.3	Very high	95.1	Very high	5 Å²	5	41.8 Å²	41.8	2%	0.02	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.7	-177.4	-66.5	-99.6	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.49Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.34Å; R243-Y281 HydrophobicContact CB-CD1 4.04Å; R243-Y281 HydrophobicContact CB-CE1 3.85Å; R243-Y281 VanDerWaalsContact CD-CZ 3.48Å; R243-Y281 VanDerWaalsContact CD-OH 3.31Å; R243-Y281 WeakPolarHBondContact CD-OH 3.21Å; R243-Y281 HydrophobicContact CG-CD1 4.42Å; R243-Y281 HydrophobicContact CG-CE1 4.04Å; R243-Y281 HydrophobicContact CG-CE2 4.2Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å; V271-Y281 HydrophobicContact CG1-CD1 4.08Å; V271-Y281 HydrophobicContact CG2-CD1 4.47Å; V271-Y281 HydrophobicContact CG2-CE1 4.18Å; V273-Y281 HydrophobicContact CB-CD2 4.01Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.54Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.3Å; E277-Y281 WeakPolarHBondContact O-CD2 3.42Å; E278-Y281 PolarHBondContact O-N 3.39Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	97.8	Very high	94.9	Very high	12 Å²	12	48.8 Å²	48.8	7%	0.074	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.1	175	44.8	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.45Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 3.4Å; Q242-T282 PolarHBondContact O-N 3.24Å; T282-H284 PolarHBondContact OG1-NE2 3.4Å; T282-T295 HydrophobicContact CG2-CG2 3.83Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.36Å; T282-R297 HydrophobicContact CG2-CG 3.51Å
283	C	98.1	Very high	94.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.9	168.3	173.6	0	0	0	0	109.4	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.41Å; C227-C283 WeakPolarHBondContact SG-CB 3.32Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.07Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.43Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.5Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.05Å; C283-L296 PolarHBondContact O-N 2.9Å
284	H	97.8	Very high	94.7	Very high	34 Å²	34	51.5 Å²	51.5	16%	0.157	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.1	176.3	-62.9	-102.6	0	0	0	109.5	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.46Å; T240-H284 PolarHBondContact N-O 3.22Å; T240-H284 PolarHBondContact O-N 2.8Å; Q242-H284 PolarHBondContact OE1-NE2 2.86Å; T282-H284 PolarHBondContact OG1-NE2 3.4Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.47Å; H284-T295 PolarHBondContact CE1-OG1 3.2Å; H284-T295 PolarHBondContact ND1-OG1 2.72Å
285	V	97.9	Very high	94.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.5	-178.1	-174.3	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.97Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.15Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; I237-V285 HydrophobicContact CD1-CG1 3.99Å; I237-V285 HydrophobicContact CG1-CG1 4.32Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; L239-V285 HydrophobicContact CD1-CG1 4.09Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.25Å; V285-P293 WeakPolarHBondContact O-CA 3.2Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 2.9Å; V285-L294 PolarHBondContact O-N 3.08Å; V285-L296 HydrophobicContact CG2-CD1 3.89Å
286	Q	97	Very high	95	Very high	76 Å²	76	52.1 Å²	52.1	36%	0.355	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.6	174.4	-57	177.8	9.9	0	0	109.1	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.29Å; T238-Q286 PolarHBondContact N-O 3.35Å; T238-Q286 PolarHBondContact O-N 3.49Å; Q286-P293 HydrophobicContact CG-CB 4.01Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
287	H	95.2	Very high	95.2	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.019	28%	0.281	C	S	.	.			trans	-159.6	138.9	-176.7	-177.9	-97.7	0	0	0	109.5	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 VanDerWaalsContact CH2-C 3.44Å; W23-H287 WeakPolarHBondContact CH2-O 3.35Å; W23-H287 WeakPolarHBondContact CZ3-O 3.18Å; E207-H287 PolarHBondContact O-CE1 2.88Å; E207-H287 VanDerWaalsContact O-CE1 3.23Å; P209-H287 HydrophobicContact CG-CB 4.02Å; F232-H287 AromaticContact CD2-CD2 3.78Å; F232-H287 AromaticContact CD2-NE2 3.68Å; Y233-H287 PolarHBondContact O-CE1 2.78Å; P234-H287 PolarHBondContact O-NE2 3.19Å; E236-H287 PolarHBondContact O-CD2 3.16Å; I237-H287 HydrophobicContact CD1-CB 4.17Å; I237-H287 HydrophobicContact CG1-CB 3.99Å; H287-G289 PolarHBondContact CE1-N 3.04Å; H287-G289 PolarHBondContact ND1-N 3.33Å; H287-G289 PolarHBondContact O-N 2.91Å; H287-L290 HydrophobicContact CB-CD1 4.03Å; H287-L290 HydrophobicContact CB-CG 4.27Å; H287-L290 WeakPolarHBondContact O-CB 3.35Å; H287-L290 PolarHBondContact O-N 3.43Å
288	E	91.3	Very high	95.1	Very high	73 Å²	73	56.2 Å²	56.2	34%	0.341	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-25.8	-177.1	-169.1	-174.5	155.4	0	0	114.9	W23 C25 P234 L290	W23-E288 HydrophobicContact CE3-CB 4.41Å; W23-E288 HydrophobicContact CE3-CG 4.14Å; W23-E288 HydrophobicContact CZ3-CB 4.41Å; W23-E288 HydrophobicContact CZ3-CG 4.5Å; W23-E288 WeakPolarHBondContact CZ3-O 3.37Å; C25-E288 PolarHBondContact SG-OE1 2.81Å; P234-E288 WeakPolarHBondContact CG-OE2 2.97Å; E288-L290 VanDerWaalsContact C-N 3.31Å; E288-L290 PolarHBondContact O-N 3.44Å
289	G	90.9	Very high	94.5	Very high	9 Å²	9	57.4 Å²	57.4	9%	0.093	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.4	174.3	0	0	0	0	0	112.7	H208 H287	H208-G289 PolarHBondContact CE1-O 3.31Å; H208-G289 PolarHBondContact ND1-O 3.41Å; H287-G289 PolarHBondContact CE1-N 3.04Å; H287-G289 PolarHBondContact ND1-N 3.33Å; H287-G289 PolarHBondContact O-N 2.91Å
290	L	93.4	Very high	92.9	Very high	10 Å²	10	57.9 Å²	57.9	5%	0.052	31%	0.307	C	S	.	.			trans	-80.1	129.1	-170	-65.8	169.4	0	0	0	111.6	W23 H208 P209 V285 H287 E288 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.42Å; W23-L290 WeakPolarHBondContact CZ3-O 3.47Å; H208-L290 HydrophobicContact CB-CD2 4.11Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.2Å; V285-L290 HydrophobicContact CG1-CD1 4.25Å; H287-L290 HydrophobicContact CB-CD1 4.03Å; H287-L290 HydrophobicContact CB-CG 4.27Å; H287-L290 WeakPolarHBondContact O-CB 3.35Å; H287-L290 PolarHBondContact O-N 3.43Å; E288-L290 VanDerWaalsContact C-N 3.31Å; E288-L290 PolarHBondContact O-N 3.44Å; L290-E292 WeakPolarHBondContact CB-O 3.38Å; L290-E292 PolarHBondContact O-N 3.3Å; L290-L294 HydrophobicContact CD1-CD1 3.99Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CD2 4.46Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; L290-L294 HydrophobicContact CG-CD1 4.5Å; L290-L294 HydrophobicContact CG-CG 4.47Å
291	P	91.5	Very high	90.7	Very high	125 Å²	125	57.9 Å²	57.9	81%	0.812	32%	0.323	S	S	*	.	S	Bend	trans	-64.1	-31	175.3	26.6	-34	0	0	0	112.2
292	E	92.3	Very high	88.1	Confident	151 Å²	151	63 Å²	63	71%	0.706	36%	0.359	S	S	*	.	S	Bend	trans	-141.4	149.2	174.7	-66	-177.7	178.6	0	0	109.5	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.38Å; L290-E292 PolarHBondContact O-N 3.3Å; E292-L294 PolarHBondContact O-N 3.21Å
293	P	94.7	Very high	85.4	Confident	72 Å²	72	69.9 Å²	69.9	47%	0.468	39%	0.39	S	S	.	.			trans	-53.8	136.2	173.9	-27.4	36.1	0	0	0	112.6	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.2Å; Q286-P293 HydrophobicContact CG-CB 4.01Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
294	L	96	Very high	82.7	Confident	61 Å²	61	75.1 Å²	75.1	32%	0.319	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	139.3	176	-64	177.5	0	0	0	110.5	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.37Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.47Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 2.9Å; V285-L294 PolarHBondContact O-N 3.08Å; L290-L294 HydrophobicContact CD1-CD1 3.99Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CD2 4.46Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; L290-L294 HydrophobicContact CG-CD1 4.5Å; L290-L294 HydrophobicContact CG-CG 4.47Å; E292-L294 PolarHBondContact O-N 3.21Å
295	T	97.3	Very high	80.2	Confident	83 Å²	83	79.8 Å²	79.8	51%	0.509	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.6	169.7	-57	0	0	0	0	108.8	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.83Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.5Å; H284-T295 PolarHBondContact CE1-OG1 3.2Å; H284-T295 PolarHBondContact ND1-OG1 2.72Å
296	L	96.4	Very high	78.2	Confident	34 Å²	34	84.9 Å²	84.9	18%	0.178	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.5	-175.3	-61.4	152.2	0	0	0	109.4	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.46Å; T211-L296 HydrophobicContact CG2-CD1 4.17Å; V213-L296 HydrophobicContact CG2-CB 3.86Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.36Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.05Å; C283-L296 PolarHBondContact O-N 2.9Å; V285-L296 HydrophobicContact CG2-CD1 3.89Å
297	R	95	Very high	76.2	Confident	152 Å²	152	85.5 Å²	85.5	57%	0.574	49%	0.492	S	S	*	.			trans	-116.9	155.2	165.8	-68.7	-174.6	-179	-177.8	-2.5	108.7	T282 G299	T282-R297 HydrophobicContact CG2-CG 3.51Å; R297-G299 PolarHBondContact O-N 3.21Å
298	W	93.4	Very high	74.5	Confident	61 Å²	61	91 Å²	91	23%	0.231	52%	0.521	C	S	.	.			trans	-66.2	123.5	165	173	64.3	0	0	0	109	V213 H215 L225 E278 Q279	V213-W298 HydrophobicContact CB-CB 4.43Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.23Å; H215-W298 HydrophobicContact CB-CG 4.23Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 AromaticContact CD2-CZ2 3.99Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.78Å; H215-W298 AromaticContact CG-NE1 3.95Å; L225-W298 HydrophobicContact CD1-CB 4.36Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.36Å; L225-W298 HydrophobicContact CD2-CG 3.93Å; E278-W298 HydrophobicContact CB-CD2 4.33Å; E278-W298 HydrophobicContact CB-CE3 3.33Å; E278-W298 HydrophobicContact CB-CZ3 3.69Å; E278-W298 HydrophobicContact CG-CE3 3.7Å; E278-W298 HydrophobicContact CG-CZ3 3.67Å; Q279-W298 PolarHBondContact NE2-O 2.87Å
299	G	79.9	Confident	73	Confident	45 Å²	45	93.4 Å²	93.4	46%	0.464	54%	0.54	S	S	.	.			trans	-135.8	139.2	168.3	0	0	0	0	0	108.4	R297 S301	R297-G299 PolarHBondContact O-N 3.21Å; G299-S301 PolarHBondContact O-N 3.16Å; G299-S301 VanDerWaalsContact O-N 3.11Å
300	P	61.5	Low	71.7	Confident	105 Å²	105	95.1 Å²	95.1	68%	0.682	56%	0.557	S	S	*	*			trans	-55.9	122.8	168.3	23.4	-30.5	0	0	0	107.3	S302	P300-S302 PolarHBondContact O-N 2.86Å
301	S	50.8	Low	70.7	Confident	104 Å²	104	99.2 Å²	99.2	73%	0.727	58%	0.578	S	S	*	*			trans	-45.2	106.8	-177.8	172.8	0	0	0	0	110.5	G299 Q303	G299-S301 PolarHBondContact O-N 3.16Å; G299-S301 VanDerWaalsContact O-N 3.11Å; S301-Q303 PolarHBondContact O-N 3.41Å
302	S	41.6	Very low	69.8	Low	111 Å²	111	97.6 Å²	97.6	78%	0.776	57%	0.566	S	S	*	*			trans	-78.9	77.2	163.8	29.1	0	0	0	0	107.1	P300 P304	P300-S302 PolarHBondContact O-N 2.86Å; S302-P304 WeakPolarHBondContact O-CD 3.46Å
303	Q	42.2	Very low	68.8	Low	157 Å²	157	92.9 Å²	92.9	73%	0.734	55%	0.553	S	S	*	*			trans	-53.1	125.6	150.4	-76.4	-168	-23.4	0	0	106.1	S301 T305	S301-Q303 PolarHBondContact O-N 3.41Å; Q303-T305 VanDerWaalsContact C-N 3.34Å; Q303-T305 PolarHBondContact O-N 3.11Å
304	P	39.9	Very low	68	Low	111 Å²	111	91.1 Å²	91.1	72%	0.721	55%	0.548	S	S	*	.			trans	-63.4	106	172.2	24.5	-28.8	0	0	0	105.9	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.46Å; P304-I306 PolarHBondContact O-N 3.41Å
305	T	47	Very low	67.4	Low	131 Å²	131	93.4 Å²	93.4	80%	0.804	56%	0.56	S	S	*	*			trans	-62.8	89.7	164.3	-42.1	0	0	0	0	105	Q303 P307	Q303-T305 VanDerWaalsContact C-N 3.34Å; Q303-T305 PolarHBondContact O-N 3.11Å; T305-P307 WeakPolarHBondContact O-CD 3.4Å
306	I	55.1	Low	66.6	Low	108 Å²	108	92 Å²	92	55%	0.554	56%	0.556	S	S	*	*			trans	-47.7	122.4	165	-65	171.6	0	0	0	104	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.41Å; I306-I308 PolarHBondContact O-N 3.16Å; I306-I311 HydrophobicContact CG2-CD1 3.93Å
307	P	54.1	Low	66	Low	88 Å²	88	94.6 Å²	94.6	57%	0.571	57%	0.573	S	S	*	*			trans	-73.1	80	-176.8	29.3	-32.7	0	0	0	107.2	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.4Å; P307-V309 PolarHBondContact O-N 2.64Å; P307-V309 VanDerWaalsContact O-N 3.13Å; P307-G310 WeakPolarHBondContact O-CA 3.47Å; P307-G310 PolarHBondContact O-N 3.35Å; P307-I311 PolarHBondContact O-N 2.9Å
308	I	60.1	Low	65.4	Low	121 Å²	121	92.8 Å²	92.8	62%	0.621	57%	0.574	S	S	*	*	H	α-helix	trans	-54.4	-33.9	178.5	-66.6	168	0	0	0	108.9	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 3.16Å; I308-G310 PolarHBondContact O-N 2.87Å; I308-I311 PolarHBondContact O-N 3.47Å; I308-V312 HydrophobicContact CG2-CG2 4.19Å; I308-V312 WeakPolarHBondContact O-CB 3.39Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.45Å; I308-V312 PolarHBondContact O-N 2.82Å
309	V	59.8	Low	64.9	Low	123 Å²	123	92.5 Å²	92.5	75%	0.745	59%	0.585	S	S	*	*	H	α-helix	trans	-60.8	-40.3	174.1	-179.1	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 2.64Å; P307-V309 VanDerWaalsContact O-N 3.13Å; V309-A313 VanDerWaalsContact O-CB 3.24Å; V309-A313 WeakPolarHBondContact O-CB 3.49Å; V309-A313 PolarHBondContact O-N 3.11Å
310	G	64.4	Low	65.1	Low	44 Å²	44	94.5 Å²	94.5	45%	0.454	59%	0.588	S	S	.	*	H	α-helix	trans	-69	-37.9	179.5	0	0	0	0	0	112.8	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.47Å; P307-G310 PolarHBondContact O-N 3.35Å; I308-G310 PolarHBondContact O-N 2.87Å; G310-G314 PolarHBondContact O-N 3.15Å
311	I	70.7	Confident	66.2	Low	96 Å²	96	94.4 Å²	94.4	49%	0.492	58%	0.582	S	S	.	*	H	α-helix	trans	-70.7	-43.8	177	-60.9	174.5	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.93Å; P307-I311 PolarHBondContact O-N 2.9Å; I308-I311 PolarHBondContact O-N 3.47Å; I311-G314 PolarHBondContact O-N 3.28Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.38Å; I311-L315 WeakPolarHBondContact O-CG 3.22Å; I311-L315 PolarHBondContact O-N 2.9Å
312	V	72.9	Confident	67.6	Low	91 Å²	91	92.6 Å²	92.6	55%	0.552	57%	0.573	S	S	*	*	H	α-helix	trans	-65.5	-42.4	178.1	173.6	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.19Å; I308-V312 WeakPolarHBondContact O-CB 3.39Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.45Å; I308-V312 PolarHBondContact O-N 2.82Å; V312-L315 PolarHBondContact O-N 2.88Å; V312-A316 WeakPolarHBondContact O-CB 3.42Å; V312-A316 PolarHBondContact O-N 2.91Å
313	A	72.7	Confident	69.5	Low	52 Å²	52	91.8 Å²	91.8	43%	0.43	56%	0.563	S	S	.	*	H	α-helix	trans	-63.8	-43.1	175.1	0	0	0	0	0	111.9	V309 L315 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.24Å; V309-A313 WeakPolarHBondContact O-CB 3.49Å; V309-A313 PolarHBondContact O-N 3.11Å; A313-L315 PolarHBondContact O-N 3.24Å; A313-A316 PolarHBondContact O-N 3.12Å; A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 2.9Å
314	G	77.8	Confident	71.4	Confident	35 Å²	35	89 Å²	89	36%	0.361	55%	0.553	S	S	.	*	H	α-helix	trans	-61.2	-43.6	176.6	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.15Å; I311-G314 PolarHBondContact O-N 3.28Å; G314-V317 PolarHBondContact O-N 3.19Å; G314-L318 PolarHBondContact O-N 2.7Å
315	L	83.1	Confident	73.3	Confident	110 Å²	110	85.7 Å²	85.7	58%	0.576	54%	0.538	S	S	*	.	H	α-helix	trans	-67.3	-38.3	177	-72.5	171.8	0	0	0	112.4	I311 V312 A313 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.38Å; I311-L315 WeakPolarHBondContact O-CG 3.22Å; I311-L315 PolarHBondContact O-N 2.9Å; V312-L315 PolarHBondContact O-N 2.88Å; A313-L315 PolarHBondContact O-N 3.24Å; L315-L318 PolarHBondContact O-N 3.12Å; L315-A319 WeakPolarHBondContact O-CB 3.23Å; L315-A319 PolarHBondContact O-N 3.1Å
316	A	80.8	Confident	74.8	Confident	53 Å²	53	82.1 Å²	82.1	44%	0.438	52%	0.522	S	S	.	.	H	α-helix	trans	-63.7	-42.8	175.9	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.42Å; V312-A316 PolarHBondContact O-N 2.91Å; A313-A316 PolarHBondContact O-N 3.12Å; A316-A319 PolarHBondContact O-N 3.46Å; A316-V320 WeakPolarHBondContact O-CG2 3.38Å; A316-V320 PolarHBondContact O-N 2.95Å
317	V	83.1	Confident	76	Confident	88 Å²	88	80.8 Å²	80.8	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-63.7	-43.7	176.4	173.2	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 2.9Å; G314-V317 PolarHBondContact O-N 3.19Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.83Å; V317-V320 PolarHBondContact O-N 2.99Å; V317-L321 HydrophobicContact CG1-CD1 4.01Å; V317-L321 HydrophobicContact CG1-CG 4.42Å; V317-L321 WeakPolarHBondContact O-CG 3.1Å; V317-L321 PolarHBondContact O-N 3.14Å
318	L	82.3	Confident	76.9	Confident	114 Å²	114	82.2 Å²	82.2	60%	0.597	52%	0.519	S	S	*	.	H	α-helix	trans	-61.4	-41.2	176.3	-82.8	164.6	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 2.7Å; L315-L318 PolarHBondContact O-N 3.12Å; L318-L321 PolarHBondContact O-N 3.43Å; L318-A322 WeakPolarHBondContact O-CB 3.28Å; L318-A322 PolarHBondContact O-N 3.04Å
319	A	83	Confident	77.6	Confident	56 Å²	56	78.9 Å²	78.9	46%	0.463	51%	0.51	S	S	.	.	H	α-helix	trans	-63.4	-43.2	176.3	0	0	0	0	0	111.9	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.23Å; L315-A319 PolarHBondContact O-N 3.1Å; A316-A319 PolarHBondContact O-N 3.46Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.83Å; A319-A322 PolarHBondContact O-N 3Å; A319-V323 WeakPolarHBondContact O-CG2 3.38Å; A319-V323 PolarHBondContact O-N 3.33Å
320	V	84.5	Confident	78.2	Confident	86 Å²	86	76.9 Å²	76.9	52%	0.521	50%	0.498	S	S	.	.	H	α-helix	trans	-63	-43.6	176.6	172.1	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.38Å; A316-V320 PolarHBondContact O-N 2.95Å; V317-V320 PolarHBondContact O-N 2.99Å; V320-A322 PolarHBondContact O-N 3.05Å; V320-V323 PolarHBondContact O-N 2.99Å; V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 WeakPolarHBondContact O-CG 3.46Å; V320-L324 PolarHBondContact O-N 3.09Å
321	L	83.4	Confident	78.6	Confident	104 Å²	104	78.1 Å²	78.1	55%	0.545	50%	0.496	S	S	.	.	H	α-helix	trans	-64.2	-38.9	177.2	-71.2	173.3	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4.01Å; V317-L321 HydrophobicContact CG1-CG 4.42Å; V317-L321 WeakPolarHBondContact O-CG 3.1Å; V317-L321 PolarHBondContact O-N 3.14Å; L318-L321 PolarHBondContact O-N 3.43Å; L321-L324 PolarHBondContact O-N 3.12Å; L321-G325 PolarHBondContact O-N 3.25Å
322	A	81.4	Confident	78.6	Confident	66 Å²	66	79.8 Å²	79.8	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-64.5	-42	175.9	0	0	0	0	0	111.9	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.28Å; L318-A322 PolarHBondContact O-N 3.04Å; A319-A322 PolarHBondContact O-N 3Å; V320-A322 PolarHBondContact O-N 3.05Å; A322-G325 PolarHBondContact O-N 2.85Å; A322-A326 WeakPolarHBondContact O-CB 3.45Å; A322-A326 PolarHBondContact O-N 3.1Å
323	V	82.2	Confident	78.1	Confident	94 Å²	94	79.6 Å²	79.6	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-65	-45	176.2	173.5	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.38Å; A319-V323 PolarHBondContact O-N 3.33Å; V320-V323 PolarHBondContact O-N 2.99Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3Å; V323-A326 PolarHBondContact O-N 2.93Å; V323-V327 HydrophobicContact CG1-CG2 4.41Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.37Å; V323-V327 PolarHBondContact O-N 2.92Å
324	L	80.6	Confident	77.6	Confident	98 Å²	98	86.1 Å²	86.1	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-61.8	-42.1	175.9	-74.1	167.9	0	0	0	111.7	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 WeakPolarHBondContact O-CG 3.46Å; V320-L324 PolarHBondContact O-N 3.09Å; L321-L324 PolarHBondContact O-N 3.12Å; L324-V327 PolarHBondContact O-N 3.42Å; L324-M328 WeakPolarHBondContact O-CB 3.35Å; L324-M328 VanDerWaalsContact O-CG 3.29Å; L324-M328 WeakPolarHBondContact O-CG 3.19Å; L324-M328 PolarHBondContact O-N 2.88Å
325	G	80.5	Confident	76.6	Confident	41 Å²	41	94.3 Å²	94.3	42%	0.423	54%	0.539	S	S	.	.	H	α-helix	trans	-60.4	-44.2	174.5	0	0	0	0	0	112.5	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 3.25Å; A322-G325 PolarHBondContact O-N 2.85Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3Å; G325-M328 PolarHBondContact O-N 3.14Å; G325-A329 WeakPolarHBondContact O-CB 3.35Å; G325-A329 PolarHBondContact O-N 3.05Å
326	A	78.7	Confident	75	Confident	56 Å²	56	97.9 Å²	97.9	46%	0.463	55%	0.55	S	S	.	*	H	α-helix	trans	-65	-42.3	176.4	0	0	0	0	0	112.2	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.45Å; A322-A326 PolarHBondContact O-N 3.1Å; V323-A326 PolarHBondContact O-N 2.93Å; A326-A329 PolarHBondContact O-N 3.21Å; A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.3Å; A326-V330 PolarHBondContact O-N 2.82Å
327	V	78.9	Confident	73.6	Confident	80 Å²	80	99.9 Å²	99.9	49%	0.485	56%	0.561	S	S	.	*	H	α-helix	trans	-63.2	-44.4	176.2	171.9	0	0	0	0	110.8	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.41Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.37Å; V323-V327 PolarHBondContact O-N 2.92Å; L324-V327 PolarHBondContact O-N 3.42Å; V327-A329 PolarHBondContact O-N 3.32Å; V327-V330 PolarHBondContact O-N 3.45Å; V327-V331 HydrophobicContact CG1-CG2 4.35Å; V327-V331 WeakPolarHBondContact O-CB 3.43Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.36Å; V327-V331 PolarHBondContact O-N 2.82Å
328	M	75	Confident	72	Confident	118 Å²	118	100.4 Å²	100.4	58%	0.581	57%	0.569	S	S	*	*	H	α-helix	trans	-63	-40.8	176.2	-72.6	-63.9	-71.8	0	0	112	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.35Å; L324-M328 VanDerWaalsContact O-CG 3.29Å; L324-M328 WeakPolarHBondContact O-CG 3.19Å; L324-M328 PolarHBondContact O-N 2.88Å; G325-M328 PolarHBondContact O-N 3.14Å; M328-V331 PolarHBondContact O-N 3.14Å; M328-M332 WeakPolarHBondContact O-CB 3.48Å; M328-M332 WeakPolarHBondContact O-CG 3.46Å; M328-M332 PolarHBondContact O-N 3.34Å
329	A	73.3	Confident	70.2	Confident	52 Å²	52	98.1 Å²	98.1	43%	0.43	57%	0.572	S	S	.	*	H	α-helix	trans	-63.1	-42.8	174.6	0	0	0	0	0	112.1	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.35Å; G325-A329 PolarHBondContact O-N 3.05Å; A326-A329 PolarHBondContact O-N 3.21Å; V327-A329 PolarHBondContact O-N 3.32Å; A329-M332 PolarHBondContact O-N 3.25Å; A329-C333 WeakPolarHBondContact O-CB 3.21Å; A329-C333 PolarHBondContact O-N 3.05Å; A329-C333 PolarHBondContact O-SG 3.32Å
330	V	73.5	Confident	68	Low	81 Å²	81	99.4 Å²	99.4	49%	0.491	59%	0.591	S	S	.	*	H	α-helix	trans	-65.3	-41.4	175.8	170.5	0	0	0	0	111.5	A326 V327 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.3Å; A326-V330 PolarHBondContact O-N 2.82Å; V327-V330 PolarHBondContact O-N 3.45Å; V330-C333 PolarHBondContact O-N 3.3Å; V330-R334 WeakPolarHBondContact O-CB 3.41Å; V330-R334 WeakPolarHBondContact O-CG 3.39Å; V330-R334 PolarHBondContact O-N 2.76Å
331	V	73.2	Confident	65.6	Low	69 Å²	69	106 Å²	106	42%	0.418	61%	0.613	S	S	.	*	H	α-helix	trans	-66.5	-39.6	177	170.8	0	0	0	0	111.2	V327 M328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.35Å; V327-V331 WeakPolarHBondContact O-CB 3.43Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.36Å; V327-V331 PolarHBondContact O-N 2.82Å; M328-V331 PolarHBondContact O-N 3.14Å; V331-R334 PolarHBondContact O-N 2.87Å; V331-R335 WeakPolarHBondContact O-CB 3.29Å; V331-R335 PolarHBondContact O-N 2.83Å
332	M	70.8	Confident	63.2	Low	131 Å²	131	104.8 Å²	104.8	65%	0.645	63%	0.626	S	S	*	*	H	α-helix	trans	-66.8	-40.7	173.8	-74.9	-173.5	70.7	0	0	112.1	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.48Å; M328-M332 WeakPolarHBondContact O-CG 3.46Å; M328-M332 PolarHBondContact O-N 3.34Å; A329-M332 PolarHBondContact O-N 3.25Å; M332-R334 VanDerWaalsContact C-N 3.31Å; M332-R334 PolarHBondContact O-N 3.48Å; M332-R335 PolarHBondContact O-N 3.1Å; M332-K336 WeakPolarHBondContact O-CB 3.34Å; M332-K336 PolarHBondContact O-N 3.3Å
333	C	62.1	Low	60.8	Low	88 Å²	88	105.7 Å²	105.7	60%	0.595	64%	0.641	S	S	*	*	H	α-helix	trans	-64	-34.9	173	-79.3	0	0	0	0	112.4	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.21Å; A329-C333 PolarHBondContact O-N 3.05Å; A329-C333 PolarHBondContact O-SG 3.32Å; V330-C333 PolarHBondContact O-N 3.3Å; C333-K336 PolarHBondContact O-N 3.13Å; C333-S337 PolarHBondContact O-N 3.33Å; C333-S337 PolarHBondContact O-OG 3.05Å
334	R	60.5	Low	58.5	Low	188 Å²	188	106.7 Å²	106.7	71%	0.709	65%	0.653	S	S	*	*	H	α-helix	trans	-73.6	-35	174.1	-78.9	-173.1	157	171.5	-4.1	113.3	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.41Å; V330-R334 WeakPolarHBondContact O-CG 3.39Å; V330-R334 PolarHBondContact O-N 2.76Å; V331-R334 PolarHBondContact O-N 2.87Å; M332-R334 VanDerWaalsContact C-N 3.31Å; M332-R334 PolarHBondContact O-N 3.48Å; R334-K336 VanDerWaalsContact C-N 3.34Å; R334-S337 WeakPolarHBondContact CA-OG 3.47Å; R334-S337 PolarHBondContact O-N 2.96Å; R334-S337 PolarHBondContact O-OG 3.35Å
335	R	57.1	Low	56.1	Low	207 Å²	207	107.4 Å²	107.4	78%	0.781	67%	0.665	S	S	*	*	H	α-helix	trans	-68.6	-31.2	171.1	-95.1	-175.9	168.3	175.6	-2.4	112.8	V331 M332 S338	V331-R335 WeakPolarHBondContact O-CB 3.29Å; V331-R335 PolarHBondContact O-N 2.83Å; M332-R335 PolarHBondContact O-N 3.1Å; R335-S338 PolarHBondContact O-OG 3.46Å
336	K	50.1	Low	53.8	Low	185 Å²	185	110.9 Å²	110.9	80%	0.804	68%	0.682	S	S	*	*	H	α-helix	trans	-80.8	-14.5	178.4	-161.8	168.4	-178.8	178.5	0	113.6	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.34Å; M332-K336 PolarHBondContact O-N 3.3Å; C333-K336 PolarHBondContact O-N 3.13Å; R334-K336 VanDerWaalsContact C-N 3.34Å
337	S	51.7	Low	51.9	Low	95 Å²	95	117.6 Å²	117.6	66%	0.664	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	0.9	177.7	42.3	0	0	0	0	114.4	C333 R334	C333-S337 PolarHBondContact O-N 3.33Å; C333-S337 PolarHBondContact O-OG 3.05Å; R334-S337 WeakPolarHBondContact CA-OG 3.47Å; R334-S337 PolarHBondContact O-N 2.96Å; R334-S337 PolarHBondContact O-OG 3.35Å
338	S	49.7	Very low	49.5	Very low	100 Å²	100	118.8 Å²	118.8	70%	0.699	72%	0.722	S	S	*	*	S	Bend	trans	-105.6	21.1	176.5	71.1	0	0	0	0	114.5	R335	R335-S338 PolarHBondContact O-OG 3.46Å
339	G	44.8	Very low	47.5	Very low	65 Å²	65	117.3 Å²	117.3	67%	0.67	73%	0.729	S	S	*	*	S	Bend	trans	-162.5	107.3	175.2	0	0	0	0	0	113.1
340	G	35.7	Very low	45.6	Very low	84 Å²	84	120.1 Å²	120.1	87%	0.866	75%	0.746	S	S	*	*			trans	127.6	90.5	161	0	0	0	0	0	115.1
341	K	35	Very low	43.7	Very low	223 Å²	223	121.5 Å²	121.5	97%	0.97	76%	0.759	S	S	*	*			trans	-82.2	129.8	164	-167.2	164.4	-175.1	172	0	108
342	G	32.8	Very low	41.8	Very low	80 Å²	80	125.7 Å²	125.7	83%	0.825	78%	0.779	S	S	*	*			trans	155.4	120.6	163.6	0	0	0	0	0	115
343	G	30.7	Very low	40.2	Very low	84 Å²	84	124.9 Å²	124.9	87%	0.866	79%	0.786	S	S	*	*			trans	127	91.9	157.7	0	0	0	0	0	115.3
344	S	34.1	Very low	38.8	Very low	115 Å²	115	125.1 Å²	125.1	80%	0.804	80%	0.795	S	S	*	*			trans	-75.3	171	171.1	171.7	0	0	0	0	113.2
345	C	29.9	Very low	37.5	Very low	114 Å²	114	125.5 Å²	125.5	77%	0.77	81%	0.805	S	S	*	*			trans	98.9	133.4	158.7	-74.1	0	0	0	0	115.4
346	S	33.1	Very low	36.2	Very low	113 Å²	113	119.5 Å²	119.5	79%	0.79	81%	0.807	S	S	*	*			cis	-169.5	153.1	-0.1	26.6	0	0	0	0	108.2
347	Q	37.2	Very low	35.6	Very low	197 Å²	197	115.5 Å²	115.5	92%	0.921	80%	0.802	S	S	*	*			trans	-67.1	133.8	171.1	-162.6	172.4	7.4	0	0	110.3
348	A	30	Very low	34.9	Very low	105 Å²	105	118.6 Å²	118.6	87%	0.868	81%	0.811	S	S	*	*			trans	-157.5	137.5	153.8	0	0	0	0	0	110.2
349	A	31.7	Very low	34.1	Very low	88 Å²	88	122.4 Å²	122.4	73%	0.727	82%	0.818	S	S	*	*			trans	-92.6	165	-168.5	0	0	0	0	0	113.4
350	S	33.6	Very low	33.4	Very low	111 Å²	111	124.9 Å²	124.9	78%	0.776	83%	0.825	S	S	*	*			trans	50.3	138.4	143.5	66.5	0	0	0	0	118.9
351	S	33.5	Very low	33.3	Very low	110 Å²	110	129 Å²	129	77%	0.769	83%	0.826	S	S	*	*			cis	-179.6	161	40.9	36.1	0	0	0	0	110.7
352	N	34.2	Very low	33.3	Very low	156 Å²	156	126 Å²	126	83%	0.834	82%	0.819	S	S	*	*			trans	-32.3	145	165.3	-64.2	-24.5	0	0	0	119.6
353	S	35.8	Very low	33.2	Very low	114 Å²	114	126.6 Å²	126.6	80%	0.797	82%	0.816	S	S	*	*				174	115.8	119.7	44.2	0	0	0	0	108.7
354	A	33.8	Very low	33.2	Very low	94 Å²	94	128.5 Å²	128.5	78%	0.777	82%	0.815	S	S	*	*				77.9	128.4	90.7	0	0	0	0	0	115.3
355	Q	33.3	Very low	33.3	Very low	196 Å²	196	133 Å²	133	92%	0.916	82%	0.82	S	S	*	*			trans	105.6	120.5	142.7	-139.2	155.5	10	0	0	118
356	G	30.2	Very low	33.6	Very low	80 Å²	80	135.9 Å²	135.9	83%	0.825	85%	0.852	S	S	*	*			trans	167.8	67.5	175.1	0	0	0	0	0	111.1
357	S	36	Very low	33.7	Very low	101 Å²	101	137 Å²	137	71%	0.706	86%	0.855	S	S	*	*			trans	-72	141.9	169.2	-38.9	0	0	0	0	110.3
358	D	36.8	Very low	33.5	Very low	160 Å²	160	133.8 Å²	133.8	86%	0.856	85%	0.852	S	S	*	*				-169.6	145.1	118.8	-101.3	-12.2	0	0	0	113.4
359	E	33.2	Very low	33.7	Very low	181 Å²	181	135.4 Å²	135.4	85%	0.846	85%	0.851	S	S	*	*			trans	-61.2	155	-173.3	-72.5	-178	120.9	0	0	114.5
360	S	30.5	Very low	33.8	Very low	117 Å²	117	138.2 Å²	138.2	82%	0.818	86%	0.858	S	S	*	*				-174.3	137.6	76.7	41.7	0	0	0	0	113.9
361	L	33.7	Very low	33.8	Very low	171 Å²	171	139.9 Å²	139.9	90%	0.895	86%	0.863	S	S	*	*			trans	-112.5	127.7	163.4	-104.4	162.2	0	0	0	107
362	I	34.4	Very low	33.8	Very low	158 Å²	158	141.9 Å²	141.9	81%	0.81	87%	0.869	S	S	*	*			trans	-141.9	105.9	160.5	-63.2	-174.4	0	0	0	104.7
363	A	31.4	Very low	33.8	Very low	93 Å²	93	140.9 Å²	140.9	77%	0.769	87%	0.872	S	S	*	*				81.9	138.1	77.3	0	0	0	0	0	115
364	C	31.4	Very low	33.6	Very low	125 Å²	125	143 Å²	143	85%	0.845	88%	0.878	S	S	*	*			trans	-77	174.8	-172.9	-70.5	0	0	0	0	115.9
365	K	35	Very low	33.6	Very low	209 Å²	209	147.1 Å²	147.1	91%	0.909	89%	0.886	S	S	*	*			trans	100.3	141.2	161.7	-70.6	179.1	170.9	177.4	0	114.9
366	A	37.8	Very low	33.7	Very low	174 Å²	174	142.6 Å²	142.6	100%	1.438	88%	0.883	S	S	*	*			cis	-134.9	0	26.7	0	0	0	0	0	113.8

Retrieved 366 of 366 residues in 63.8 ms (Link to these results)

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