A0A087XEW5_POEFO Loading...

Matrix metallopeptidase 25b

AlphaFold DB , UniProt , Accession A0A087XEW5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 522 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	D	73.8	Confident	75.7	Confident	172 Å²	172	58.5 Å²	58.5	92%	0.92	32%	0.317	S	S	*	.				0	-73.2	0	-60.2	0	0	0	0	113.2	L3 S4 R5	D1-L3 VanDerWaalsContact C-N 3.34Å; D1-L3 PolarHBondContact O-N 2.72Å; D1-S4 CarbonylContact O-C 3.55Å; D1-S4 WeakPolarHBondContact O-CA 3.44Å; D1-S4 PolarHBondContact O-N 3.04Å; D1-R5 PolarHBondContact O-N 2.59Å
2	W	86.2	Confident	73.2	Confident	46 Å²	46	62.5 Å²	62.5	17%	0.174	35%	0.348	C	S	.	.	H	α-helix	trans	-50.8	-51.4	-178.3	-168.8	107.3	0	0	0	112.4	S4 R5 Y6 Y8 M32 M52 Y209	W2-S4 PolarHBondContact O-N 2.61Å; W2-R5 PolarHBondContact O-N 2.85Å; W2-Y6 AromaticContact CD1-CE2 3.92Å; W2-Y6 AromaticContact CD2-CD2 3.57Å; W2-Y6 HydrophobicContact CD2-CD2 3.57Å; W2-Y6 AromaticContact CD2-CE2 3.88Å; W2-Y6 HydrophobicContact CD2-CE2 3.88Å; W2-Y6 AromaticContact CE2-CD2 3.5Å; W2-Y6 VanDerWaalsContact CE2-CD2 3.5Å; W2-Y6 AromaticContact CE2-CE2 3.5Å; W2-Y6 VanDerWaalsContact CE2-CE2 3.5Å; W2-Y6 AromaticContact CE3-CD2 3.8Å; W2-Y6 HydrophobicContact CE3-CD2 3.8Å; W2-Y6 HydrophobicContact CG-CD2 4.14Å; W2-Y6 HydrophobicContact CG-CE2 4.11Å; W2-Y6 AromaticContact CH2-CD2 3.78Å; W2-Y6 HydrophobicContact CH2-CD2 3.78Å; W2-Y6 HydrophobicContact CH2-CE2 4.44Å; W2-Y6 HydrophobicContact CH2-CG 4.42Å; W2-Y6 AromaticContact CZ2-CD2 3.64Å; W2-Y6 HydrophobicContact CZ2-CD2 3.64Å; W2-Y6 AromaticContact CZ2-CE2 3.85Å; W2-Y6 HydrophobicContact CZ2-CE2 3.85Å; W2-Y6 AromaticContact CZ3-CD2 3.84Å; W2-Y6 HydrophobicContact CZ3-CD2 3.84Å; W2-Y6 HydrophobicContact CZ3-CG 4.49Å; W2-Y6 AromaticContact NE1-CE2 3.59Å; W2-Y6 VanDerWaalsContact O-CD2 3.26Å; W2-Y6 WeakPolarHBondContact O-CD2 3.1Å; W2-Y6 PolarHBondContact O-N 3.49Å; W2-Y6 VanDerWaalsContact O-N 3.12Å; W2-Y8 HydrophobicContact CH2-CE2 4.08Å; W2-Y8 AromaticContact CZ3-CD2 3.8Å; W2-Y8 HydrophobicContact CZ3-CD2 3.8Å; W2-Y8 AromaticContact CZ3-CE2 3.72Å; W2-Y8 HydrophobicContact CZ3-CE2 3.72Å; W2-M32 HydrophobicContact CE3-CG 4.48Å; W2-M32 HydrophobicContact CH2-CG 3.76Å; W2-M32 HydrophobicContact CH2-SD 4.24Å; W2-M32 HydrophobicContact CZ3-CE 4.48Å; W2-M32 HydrophobicContact CZ3-CG 3.45Å; W2-M32 VanDerWaalsContact CZ3-CG 3.45Å; W2-M32 HydrophobicContact CZ3-SD 4.28Å; W2-M52 HydrophobicContact CB-CE 3.58Å; W2-M52 HydrophobicContact CD2-CE 3.55Å; W2-M52 HydrophobicContact CD2-CG 4.09Å; W2-M52 HydrophobicContact CE3-CE 3.92Å; W2-M52 HydrophobicContact CE3-CG 4.39Å; W2-M52 HydrophobicContact CG-CE 3.38Å; W2-M52 HydrophobicContact CZ2-CB 4.37Å; W2-M52 HydrophobicContact CZ2-CG 4.11Å; W2-M52 PolarHBondContact NE1-O 3.28Å; W2-M52 VanDerWaalsContact NE1-O 3.11Å; W2-Y209 HydrophobicContact CH2-CE1 4.35Å; W2-Y209 WeakPolarHBondContact CH2-OH 3.41Å; W2-Y209 HydrophobicContact CZ2-CE1 4.09Å
3	L	86.1	Confident	70.6	Confident	15 Å²	15	63.4 Å²	63.4	8%	0.079	35%	0.351	C	S	.	.	H	α-helix	trans	-62.3	-30.3	179.1	-68	170.1	0	0	0	113	D1 G7 Y8 L9 I25 A28 I29 M32	D1-L3 VanDerWaalsContact C-N 3.34Å; D1-L3 PolarHBondContact O-N 2.72Å; L3-G7 PolarHBondContact O-N 3.35Å; L3-Y8 HydrophobicContact CD2-CD2 4.31Å; L3-Y8 HydrophobicContact CD2-CG 4.34Å; L3-Y8 WeakPolarHBondContact O-CA 3.29Å; L3-Y8 WeakPolarHBondContact O-CB 3.37Å; L3-Y8 PolarHBondContact O-N 3.06Å; L3-L9 HydrophobicContact CB-CB 4.13Å; L3-L9 HydrophobicContact CB-CD1 3.66Å; L3-L9 HydrophobicContact CB-CG 3.9Å; L3-L9 HydrophobicContact CD1-CD1 3.68Å; L3-L9 HydrophobicContact CD1-CG 4.34Å; L3-L9 HydrophobicContact CG-CD1 4.34Å; L3-L9 PolarHBondContact O-N 2.76Å; L3-I25 HydrophobicContact CD1-CG2 4.36Å; L3-A28 HydrophobicContact CD1-CB 4.3Å; L3-I29 HydrophobicContact CD1-CG1 3.69Å; L3-I29 HydrophobicContact CD2-CG1 4.48Å; L3-M32 HydrophobicContact CD2-CB 3.88Å; L3-M32 HydrophobicContact CD2-CE 4.33Å; L3-M32 HydrophobicContact CD2-CG 4.13Å
4	S	78.9	Confident	68.3	Low	28 Å²	28	65.8 Å²	65.8	20%	0.196	37%	0.371	C	S	.	.	H	α-helix	trans	-81.7	-38.8	178.7	-62.9	0	0	0	0	112.3	D1 W2 Y6 G7 L9	D1-S4 CarbonylContact O-C 3.55Å; D1-S4 WeakPolarHBondContact O-CA 3.44Å; D1-S4 PolarHBondContact O-N 3.04Å; W2-S4 PolarHBondContact O-N 2.61Å; S4-Y6 VanDerWaalsContact C-N 3.25Å; S4-Y6 PolarHBondContact O-N 3.49Å; S4-G7 PolarHBondContact O-N 3.14Å; S4-L9 WeakPolarHBondContact CA-O 3.42Å; S4-L9 WeakPolarHBondContact OG-CB 3.23Å
5	R	78	Confident	66	Low	144 Å²	144	76.7 Å²	76.7	54%	0.543	40%	0.404	S	S	.	.	H	α-helix	trans	-55.5	-44.4	173.4	179.7	-176.7	-69.2	-172.8	-4.7	110.6	D1 W2 D142	D1-R5 PolarHBondContact O-N 2.59Å; W2-R5 PolarHBondContact O-N 2.85Å; R5-D142 IonicContact NH1-OD2 3.38Å
6	Y	83	Confident	64.4	Low	5 Å²	5	77.2 Å²	77.2	2%	0.02	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	13.9	-177.8	-57.5	-63.7	0	0	0	114.5	W2 S4 Y8 R56 C57 L59 D61	W2-Y6 AromaticContact CD1-CE2 3.92Å; W2-Y6 AromaticContact CD2-CD2 3.57Å; W2-Y6 HydrophobicContact CD2-CD2 3.57Å; W2-Y6 AromaticContact CD2-CE2 3.88Å; W2-Y6 HydrophobicContact CD2-CE2 3.88Å; W2-Y6 AromaticContact CE2-CD2 3.5Å; W2-Y6 VanDerWaalsContact CE2-CD2 3.5Å; W2-Y6 AromaticContact CE2-CE2 3.5Å; W2-Y6 VanDerWaalsContact CE2-CE2 3.5Å; W2-Y6 AromaticContact CE3-CD2 3.8Å; W2-Y6 HydrophobicContact CE3-CD2 3.8Å; W2-Y6 HydrophobicContact CG-CD2 4.14Å; W2-Y6 HydrophobicContact CG-CE2 4.11Å; W2-Y6 AromaticContact CH2-CD2 3.78Å; W2-Y6 HydrophobicContact CH2-CD2 3.78Å; W2-Y6 HydrophobicContact CH2-CE2 4.44Å; W2-Y6 HydrophobicContact CH2-CG 4.42Å; W2-Y6 AromaticContact CZ2-CD2 3.64Å; W2-Y6 HydrophobicContact CZ2-CD2 3.64Å; W2-Y6 AromaticContact CZ2-CE2 3.85Å; W2-Y6 HydrophobicContact CZ2-CE2 3.85Å; W2-Y6 AromaticContact CZ3-CD2 3.84Å; W2-Y6 HydrophobicContact CZ3-CD2 3.84Å; W2-Y6 HydrophobicContact CZ3-CG 4.49Å; W2-Y6 AromaticContact NE1-CE2 3.59Å; W2-Y6 VanDerWaalsContact O-CD2 3.26Å; W2-Y6 WeakPolarHBondContact O-CD2 3.1Å; W2-Y6 PolarHBondContact O-N 3.49Å; W2-Y6 VanDerWaalsContact O-N 3.12Å; S4-Y6 VanDerWaalsContact C-N 3.25Å; S4-Y6 PolarHBondContact O-N 3.49Å; Y6-Y8 PolarHBondContact O-N 2.65Å; Y6-R56 VanDerWaalsContact CZ-CD 3.5Å; Y6-R56 VanDerWaalsContact CZ-NE 3.33Å; Y6-C57 WeakPolarHBondContact CE1-O 3.44Å; Y6-L59 WeakPolarHBondContact CD1-O 3.27Å; Y6-D61 PolarHBondContact O-N 2.96Å
7	G	76.1	Confident	62.9	Low	24 Å²	24	78.8 Å²	78.8	25%	0.247	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-0.4	168.3	0	0	0	0	0	117.1	L3 S4 I62	L3-G7 PolarHBondContact O-N 3.35Å; S4-G7 PolarHBondContact O-N 3.14Å; G7-I62 WeakPolarHBondContact CA-O 2.84Å
8	Y	80.1	Confident	61.7	Low	17 Å²	17	84.6 Å²	84.6	7%	0.067	45%	0.45	C	S	.	.	S	Bend	trans	-71.6	-31.7	177	-63.8	-74.1	0	0	0	113.8	W2 L3 Y6 A28 V31 M32 F35 D61 I62	W2-Y8 HydrophobicContact CH2-CE2 4.08Å; W2-Y8 AromaticContact CZ3-CD2 3.8Å; W2-Y8 HydrophobicContact CZ3-CD2 3.8Å; W2-Y8 AromaticContact CZ3-CE2 3.72Å; W2-Y8 HydrophobicContact CZ3-CE2 3.72Å; L3-Y8 HydrophobicContact CD2-CD2 4.31Å; L3-Y8 HydrophobicContact CD2-CG 4.34Å; L3-Y8 WeakPolarHBondContact O-CA 3.29Å; L3-Y8 WeakPolarHBondContact O-CB 3.37Å; L3-Y8 PolarHBondContact O-N 3.06Å; Y6-Y8 PolarHBondContact O-N 2.65Å; Y8-A28 WeakPolarHBondContact O-CB 3.45Å; Y8-V31 HydrophobicContact CD1-CB 4.28Å; Y8-V31 HydrophobicContact CD1-CG1 3.83Å; Y8-V31 HydrophobicContact CE1-CG1 4.16Å; Y8-M32 HydrophobicContact CD1-CB 3.77Å; Y8-M32 HydrophobicContact CD2-CB 3.95Å; Y8-M32 HydrophobicContact CD2-CG 3.99Å; Y8-M32 HydrophobicContact CE1-CB 3.8Å; Y8-M32 HydrophobicContact CE1-CG 4.3Å; Y8-M32 HydrophobicContact CE2-CB 3.96Å; Y8-M32 HydrophobicContact CE2-CG 3.68Å; Y8-M32 HydrophobicContact CG-CB 3.83Å; Y8-M32 HydrophobicContact CG-CG 4.39Å; Y8-F35 HydrophobicContact CE1-CB 4Å; Y8-F35 HydrophobicContact CE1-CG 4.38Å; Y8-F35 WeakPolarHBondContact OH-CB 3.17Å; Y8-F35 VanDerWaalsContact OH-CD1 3.32Å; Y8-F35 WeakPolarHBondContact OH-CD1 3.45Å; Y8-F35 WeakPolarHBondContact OH-CG 3.33Å; Y8-D61 HydrophobicContact CE1-CB 4.22Å; Y8-D61 HydrophobicContact CE2-CB 3.87Å; Y8-D61 WeakPolarHBondContact CE2-OD2 3.29Å; Y8-D61 VanDerWaalsContact OH-CB 3.23Å; Y8-D61 WeakPolarHBondContact OH-CB 3.5Å; Y8-D61 PolarHBondContact OH-OD2 2.85Å; Y8-I62 HydrophobicContact CD1-CD1 3.59Å; Y8-I62 HydrophobicContact CD1-CG1 4.31Å; Y8-I62 HydrophobicContact CE1-CD1 3.53Å; Y8-I62 HydrophobicContact CE1-CG1 4.07Å
9	L	77.8	Confident	60.7	Low	12 Å²	12	88.3 Å²	88.3	6%	0.063	47%	0.469	C	S	.	.	S	Bend	trans	-110.4	128.9	168.6	-81	172.5	0	0	0	107.7	L3 S4 Q20 I25 A28	L3-L9 HydrophobicContact CB-CB 4.13Å; L3-L9 HydrophobicContact CB-CD1 3.66Å; L3-L9 HydrophobicContact CB-CG 3.9Å; L3-L9 HydrophobicContact CD1-CD1 3.68Å; L3-L9 HydrophobicContact CD1-CG 4.34Å; L3-L9 HydrophobicContact CG-CD1 4.34Å; L3-L9 PolarHBondContact O-N 2.76Å; S4-L9 WeakPolarHBondContact CA-O 3.42Å; S4-L9 WeakPolarHBondContact OG-CB 3.23Å; L9-Q20 HydrophobicContact CD2-CG 4.33Å; L9-I25 HydrophobicContact CD1-CG1 4.22Å; L9-A28 HydrophobicContact CD1-CB 4.16Å; L9-A28 HydrophobicContact CD2-CB 3.4Å; L9-A28 VanDerWaalsContact CD2-CB 3.4Å; L9-A28 HydrophobicContact CG-CB 3.4Å
10	P	60	Low	60.7	Low	88 Å²	88	87.5 Å²	87.5	57%	0.571	46%	0.463	S	S	*	.			trans	-53.3	135.5	170.2	22.7	-30.6	0	0	0	107.7	Q20	P10-Q20 PolarHBondContact O-NE2 2.72Å; P10-Q20 VanDerWaalsContact O-NE2 3.15Å
11	P	52.3	Low	61.3	Low	93 Å²	93	86.5 Å²	86.5	60%	0.604	46%	0.461	S	S	*	.			trans	-53	141	167.7	24.8	-32	0	0	0	106.6	D13	P11-D13 PolarHBondContact O-N 3.14Å
12	P	45.7	Very low	61.6	Low	106 Å²	106	85.2 Å²	85.2	69%	0.688	45%	0.447	S	S	*	.			trans	-49.4	110.8	-178.8	-25.2	32.8	0	0	0	109.9	P14	P12-P14 VanDerWaalsContact O-CD 3.27Å; P12-P14 WeakPolarHBondContact O-CD 3.36Å
13	D	40.5	Very low	61.1	Low	74 Å²	74	88.9 Å²	88.9	40%	0.396	47%	0.466	S	S	.	.			trans	-74.2	117.6	-178.5	172.1	7.5	0	0	0	108.7	P11 R15 T16	P11-D13 PolarHBondContact O-N 3.14Å; D13-R15 PolarHBondContact O-N 3.43Å; D13-R15 VanDerWaalsContact O-N 3.13Å; D13-R15 WeakPolarHBondContact OD1-CB 3.39Å; D13-R15 PolarHBondContact OD1-N 3.41Å; D13-T16 PolarHBondContact O-N 3.38Å; D13-T16 WeakPolarHBondContact OD2-CG2 3.4Å; D13-T16 PolarHBondContact OD2-OG1 3.25Å
14	P	37.4	Very low	60.7	Low	97 Å²	97	89.5 Å²	89.5	63%	0.63	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-5	-177.2	25.3	-29.4	0	0	0	114.2	P12	P12-P14 VanDerWaalsContact O-CD 3.27Å; P12-P14 WeakPolarHBondContact O-CD 3.36Å
15	R	34.8	Very low	61	Low	229 Å²	229	91.1 Å²	91.1	86%	0.864	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-30	177.9	-66.6	-179.9	175.2	169.4	-0.2	114.6	D13	D13-R15 PolarHBondContact O-N 3.43Å; D13-R15 VanDerWaalsContact O-N 3.13Å; D13-R15 WeakPolarHBondContact OD1-CB 3.39Å; D13-R15 PolarHBondContact OD1-N 3.41Å
16	T	40.3	Very low	61.5	Low	85 Å²	85	86.4 Å²	86.4	52%	0.521	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-8.7	-168.3	55.1	0	0	0	0	114.6	D13 K18	D13-T16 PolarHBondContact O-N 3.38Å; D13-T16 WeakPolarHBondContact OD2-CG2 3.4Å; D13-T16 PolarHBondContact OD2-OG1 3.25Å; T16-K18 PolarHBondContact O-N 2.81Å
17	S	38.4	Very low	61.4	Low	104 Å²	104	90.7 Å²	90.7	73%	0.727	49%	0.486	S	S	*	.			trans	46.8	34.9	177	-61.9	0	0	0	0	113.4	L19	S17-L19 PolarHBondContact O-N 2.91Å
18	K	40.9	Very low	61.8	Low	183 Å²	183	89.9 Å²	89.9	80%	0.796	48%	0.477	S	S	*	.			trans	-71.5	99.6	171.7	-92.2	-171.4	175	-178.2	0	108.1	T16 Q20	T16-K18 PolarHBondContact O-N 2.81Å; K18-Q20 PolarHBondContact O-N 2.87Å
19	L	43.9	Very low	62.3	Low	155 Å²	155	89.4 Å²	89.4	81%	0.812	48%	0.476	S	S	*	.			trans	-50	122.6	163.7	-85.7	148.2	0	0	0	108.4	S17 T21	S17-L19 PolarHBondContact O-N 2.91Å; L19-T21 VanDerWaalsContact C-N 3.33Å; L19-T21 PolarHBondContact O-N 3.34Å
20	Q	60.6	Low	62.7	Low	72 Å²	72	92 Å²	92	34%	0.336	48%	0.484	S	S	.	.			trans	-66.3	100.8	165.6	-68	-179.7	-7.8	0	0	106.3	L9 P10 K18 I25	L9-Q20 HydrophobicContact CD2-CG 4.33Å; P10-Q20 PolarHBondContact O-NE2 2.72Å; P10-Q20 VanDerWaalsContact O-NE2 3.15Å; K18-Q20 PolarHBondContact O-N 2.87Å; Q20-I25 HydrophobicContact CB-CD1 4.34Å; Q20-I25 HydrophobicContact CB-CG1 4.06Å
21	T	73	Confident	63.8	Low	68 Å²	68	90.1 Å²	90.1	42%	0.417	47%	0.471	S	S	.	.			trans	-69.7	162.4	177.5	76	0	0	0	0	109.3	L19 E23 G24 I25	L19-T21 VanDerWaalsContact C-N 3.33Å; L19-T21 PolarHBondContact O-N 3.34Å; T21-E23 WeakPolarHBondContact CB-OE2 3.42Å; T21-E23 PolarHBondContact O-N 3.43Å; T21-E23 PolarHBondContact OG1-N 2.86Å; T21-E23 PolarHBondContact OG1-OE2 3.09Å; T21-G24 WeakPolarHBondContact O-CA 3.44Å; T21-G24 PolarHBondContact O-N 3.24Å; T21-G24 PolarHBondContact OG1-N 2.8Å; T21-I25 PolarHBondContact O-N 3.07Å
22	K	79.1	Confident	65.7	Low	145 Å²	145	85.7 Å²	85.7	63%	0.63	44%	0.442	S	S	*	.	H	α-helix	trans	-51.8	-43.3	172	-179.4	-179.9	171.5	-174.1	0	110.4	G24 I25 E26	K22-G24 VanDerWaalsContact C-N 3.35Å; K22-G24 PolarHBondContact O-N 2.99Å; K22-I25 PolarHBondContact O-N 3.31Å; K22-E26 WeakPolarHBondContact CE-OE1 3.44Å; K22-E26 WeakPolarHBondContact O-CB 3.26Å; K22-E26 VanDerWaalsContact O-CG 3.32Å; K22-E26 WeakPolarHBondContact O-CG 3.37Å; K22-E26 PolarHBondContact O-N 3.05Å
23	E	75.3	Confident	67.8	Low	122 Å²	122	80.6 Å²	80.6	57%	0.57	41%	0.41	S	S	*	.	H	α-helix	trans	-64.8	-37.7	177.6	-55.2	70.1	-149.6	0	0	111.9	T21 Q27	T21-E23 WeakPolarHBondContact CB-OE2 3.42Å; T21-E23 PolarHBondContact O-N 3.43Å; T21-E23 PolarHBondContact OG1-N 2.86Å; T21-E23 PolarHBondContact OG1-OE2 3.09Å; E23-Q27 VanDerWaalsContact O-CB 3.24Å; E23-Q27 WeakPolarHBondContact O-CB 3.26Å; E23-Q27 PolarHBondContact O-N 3.13Å
24	G	78.4	Confident	69.9	Low	29 Å²	29	84.5 Å²	84.5	30%	0.299	42%	0.419	S	S	.	.	H	α-helix	trans	-66.4	-39.3	175.4	0	0	0	0	0	113	T21 K22 Q27 A28	T21-G24 WeakPolarHBondContact O-CA 3.44Å; T21-G24 PolarHBondContact O-N 3.24Å; T21-G24 PolarHBondContact OG1-N 2.8Å; K22-G24 VanDerWaalsContact C-N 3.35Å; K22-G24 PolarHBondContact O-N 2.99Å; G24-Q27 PolarHBondContact O-N 2.83Å; G24-A28 WeakPolarHBondContact O-CB 3.25Å; G24-A28 PolarHBondContact O-N 3.06Å
25	I	85.1	Confident	72.1	Confident	62 Å²	62	81.3 Å²	81.3	32%	0.318	40%	0.395	S	S	.	.	H	α-helix	trans	-68.6	-48	174.8	-64.7	171.7	0	0	0	110.1	L3 L9 Q20 T21 K22 Q27 A28 I29	L3-I25 HydrophobicContact CD1-CG2 4.36Å; L9-I25 HydrophobicContact CD1-CG1 4.22Å; Q20-I25 HydrophobicContact CB-CD1 4.34Å; Q20-I25 HydrophobicContact CB-CG1 4.06Å; T21-I25 PolarHBondContact O-N 3.07Å; K22-I25 PolarHBondContact O-N 3.31Å; I25-Q27 PolarHBondContact O-N 3.41Å; I25-A28 PolarHBondContact O-N 2.87Å; I25-A28 VanDerWaalsContact O-N 3.14Å; I25-I29 HydrophobicContact CG2-CD1 3.91Å; I25-I29 HydrophobicContact CG2-CG1 4.44Å; I25-I29 VanDerWaalsContact O-CG1 3.31Å; I25-I29 WeakPolarHBondContact O-CG1 3.28Å; I25-I29 PolarHBondContact O-N 2.69Å
26	E	88.3	Confident	74.4	Confident	44 Å²	44	70.5 Å²	70.5	21%	0.206	36%	0.355	C	S	.	.	H	α-helix	trans	-57.4	-40.3	175.7	-72.7	-178.1	-172.4	0	0	111.2	K22 I29 R30 G42	K22-E26 WeakPolarHBondContact CE-OE1 3.44Å; K22-E26 WeakPolarHBondContact O-CB 3.26Å; K22-E26 VanDerWaalsContact O-CG 3.32Å; K22-E26 WeakPolarHBondContact O-CG 3.37Å; K22-E26 PolarHBondContact O-N 3.05Å; E26-I29 PolarHBondContact O-N 3.44Å; E26-R30 WeakPolarHBondContact O-CG 3.48Å; E26-R30 PolarHBondContact O-N 3.09Å; E26-R30 IonicContact OE2-NH2 3.13Å; E26-R30 PolarHBondContact OE2-NH2 3.02Å; E26-G42 WeakPolarHBondContact CA-O 3.18Å; E26-G42 WeakPolarHBondContact CG-O 3.44Å; E26-G42 WeakPolarHBondContact O-CA 3.32Å
27	Q	81.2	Confident	76.5	Confident	96 Å²	96	69.3 Å²	69.3	45%	0.449	36%	0.36	S	S	.	.	H	α-helix	trans	-65.9	-42.7	176.5	-173.3	58.2	27.3	0	0	112.1	E23 G24 I25 I29 R30 V31	E23-Q27 VanDerWaalsContact O-CB 3.24Å; E23-Q27 WeakPolarHBondContact O-CB 3.26Å; E23-Q27 PolarHBondContact O-N 3.13Å; G24-Q27 PolarHBondContact O-N 2.83Å; I25-Q27 PolarHBondContact O-N 3.41Å; Q27-I29 VanDerWaalsContact C-N 3.3Å; Q27-I29 PolarHBondContact O-N 2.86Å; Q27-R30 WeakPolarHBondContact O-CB 2.93Å; Q27-R30 PolarHBondContact O-N 2.95Å; Q27-V31 WeakPolarHBondContact O-CG2 3.36Å; Q27-V31 PolarHBondContact O-N 2.88Å
28	A	85.3	Confident	79	Confident	6 Å²	6	66.3 Å²	66.3	5%	0.05	34%	0.335	C	S	.	.	H	α-helix	trans	-64.7	-36	175.6	0	0	0	0	0	112.5	L3 Y8 L9 G24 I25 V31 M32	L3-A28 HydrophobicContact CD1-CB 4.3Å; Y8-A28 WeakPolarHBondContact O-CB 3.45Å; L9-A28 HydrophobicContact CD1-CB 4.16Å; L9-A28 HydrophobicContact CD2-CB 3.4Å; L9-A28 VanDerWaalsContact CD2-CB 3.4Å; L9-A28 HydrophobicContact CG-CB 3.4Å; G24-A28 WeakPolarHBondContact O-CB 3.25Å; G24-A28 PolarHBondContact O-N 3.06Å; I25-A28 PolarHBondContact O-N 2.87Å; I25-A28 VanDerWaalsContact O-N 3.14Å; A28-V31 PolarHBondContact O-N 3.16Å; A28-M32 WeakPolarHBondContact O-CB 3.41Å; A28-M32 PolarHBondContact O-N 3.18Å
29	I	90.1	Very high	81.3	Confident	8 Å²	8	65.2 Å²	65.2	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-45.3	171.3	-66.4	165.3	0	0	0	109.9	L3 I25 E26 Q27 V31 M32 Q33 I44 T48	L3-I29 HydrophobicContact CD1-CG1 3.69Å; L3-I29 HydrophobicContact CD2-CG1 4.48Å; I25-I29 HydrophobicContact CG2-CD1 3.91Å; I25-I29 HydrophobicContact CG2-CG1 4.44Å; I25-I29 VanDerWaalsContact O-CG1 3.31Å; I25-I29 WeakPolarHBondContact O-CG1 3.28Å; I25-I29 PolarHBondContact O-N 2.69Å; E26-I29 PolarHBondContact O-N 3.44Å; Q27-I29 VanDerWaalsContact C-N 3.3Å; Q27-I29 PolarHBondContact O-N 2.86Å; I29-V31 VanDerWaalsContact C-N 3.34Å; I29-V31 PolarHBondContact O-N 3.24Å; I29-M32 PolarHBondContact O-N 3.3Å; I29-Q33 HydrophobicContact CG2-CG 4.05Å; I29-Q33 WeakPolarHBondContact O-CB 3.42Å; I29-Q33 WeakPolarHBondContact O-CG 3.49Å; I29-Q33 PolarHBondContact O-N 2.82Å; I29-I44 HydrophobicContact CD1-CD1 4.27Å; I29-I44 HydrophobicContact CD1-CG1 3.7Å; I29-T48 HydrophobicContact CG2-CG2 4.29Å
30	R	85.4	Confident	83.7	Confident	66 Å²	66	61.6 Å²	61.6	25%	0.249	31%	0.312	C	S	.	.	H	α-helix	trans	-59.8	-42.4	175.9	-69.4	-178.3	-169	100.1	11.7	112.4	E26 Q27 Q33 R34 E40 G42	E26-R30 WeakPolarHBondContact O-CG 3.48Å; E26-R30 PolarHBondContact O-N 3.09Å; E26-R30 IonicContact OE2-NH2 3.13Å; E26-R30 PolarHBondContact OE2-NH2 3.02Å; Q27-R30 WeakPolarHBondContact O-CB 2.93Å; Q27-R30 PolarHBondContact O-N 2.95Å; R30-Q33 PolarHBondContact O-N 2.97Å; R30-R34 WeakPolarHBondContact O-CB 3.2Å; R30-R34 PolarHBondContact O-N 2.87Å; R30-E40 HydrophobicContact CB-CB 4.3Å; R30-E40 HydrophobicContact CG-CB 4.27Å; R30-G42 VanDerWaalsContact CG-CA 3.46Å
31	V	83.4	Confident	85.2	Confident	48 Å²	48	60 Å²	60	29%	0.291	31%	0.307	S	S	.	.	H	α-helix	trans	-63.4	-43.7	177	177.9	0	0	0	0	110.7	Y8 Q27 A28 I29 R34 F35 I62	Y8-V31 HydrophobicContact CD1-CB 4.28Å; Y8-V31 HydrophobicContact CD1-CG1 3.83Å; Y8-V31 HydrophobicContact CE1-CG1 4.16Å; Q27-V31 WeakPolarHBondContact O-CG2 3.36Å; Q27-V31 PolarHBondContact O-N 2.88Å; A28-V31 PolarHBondContact O-N 3.16Å; I29-V31 VanDerWaalsContact C-N 3.34Å; I29-V31 PolarHBondContact O-N 3.24Å; V31-R34 PolarHBondContact O-N 2.68Å; V31-F35 WeakPolarHBondContact O-CB 3.3Å; V31-F35 PolarHBondContact O-N 2.94Å; V31-I62 HydrophobicContact CG1-CD1 3.49Å; V31-I62 VanDerWaalsContact CG1-CD1 3.49Å
32	M	92.3	Very high	85.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-45.3	175.7	-179.7	-83.2	-73.7	0	0	112.6	W2 L3 Y8 A28 I29 R34 F35 G36 T48 L51 M52	W2-M32 HydrophobicContact CE3-CG 4.48Å; W2-M32 HydrophobicContact CH2-CG 3.76Å; W2-M32 HydrophobicContact CH2-SD 4.24Å; W2-M32 HydrophobicContact CZ3-CE 4.48Å; W2-M32 HydrophobicContact CZ3-CG 3.45Å; W2-M32 VanDerWaalsContact CZ3-CG 3.45Å; W2-M32 HydrophobicContact CZ3-SD 4.28Å; L3-M32 HydrophobicContact CD2-CB 3.88Å; L3-M32 HydrophobicContact CD2-CE 4.33Å; L3-M32 HydrophobicContact CD2-CG 4.13Å; Y8-M32 HydrophobicContact CD1-CB 3.77Å; Y8-M32 HydrophobicContact CD2-CB 3.95Å; Y8-M32 HydrophobicContact CD2-CG 3.99Å; Y8-M32 HydrophobicContact CE1-CB 3.8Å; Y8-M32 HydrophobicContact CE1-CG 4.3Å; Y8-M32 HydrophobicContact CE2-CB 3.96Å; Y8-M32 HydrophobicContact CE2-CG 3.68Å; Y8-M32 HydrophobicContact CG-CB 3.83Å; Y8-M32 HydrophobicContact CG-CG 4.39Å; A28-M32 WeakPolarHBondContact O-CB 3.41Å; A28-M32 PolarHBondContact O-N 3.18Å; I29-M32 PolarHBondContact O-N 3.3Å; M32-R34 PolarHBondContact O-N 3.19Å; M32-F35 PolarHBondContact O-N 3.07Å; M32-G36 PolarHBondContact O-N 2.84Å; M32-T48 HydrophobicContact CE-CG2 3.49Å; M32-T48 VanDerWaalsContact CE-CG2 3.49Å; M32-L51 HydrophobicContact SD-CD2 3.75Å; M32-M52 HydrophobicContact CE-CG 3.79Å; M32-M52 HydrophobicContact CE-SD 3.89Å
33	Q	90.5	Very high	86.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-47	177	-75.6	170.4	-30.3	0	0	111	I29 R30 F35 G36 G37 I38 Q39 E40 T41 L43 T48	I29-Q33 HydrophobicContact CG2-CG 4.05Å; I29-Q33 WeakPolarHBondContact O-CB 3.42Å; I29-Q33 WeakPolarHBondContact O-CG 3.49Å; I29-Q33 PolarHBondContact O-N 2.82Å; R30-Q33 PolarHBondContact O-N 2.97Å; Q33-F35 PolarHBondContact O-N 2.87Å; Q33-G36 CarbonylContact O-C 3.47Å; Q33-G36 PolarHBondContact O-N 2.97Å; Q33-G37 PolarHBondContact O-N 3.5Å; Q33-I38 CarbonylContact C-O 3.58Å; Q33-I38 HydrophobicContact CB-CD1 4.28Å; Q33-I38 HydrophobicContact CB-CG1 3.73Å; Q33-I38 HydrophobicContact CG-CD1 3.79Å; Q33-I38 HydrophobicContact CG-CG1 3.82Å; Q33-I38 WeakPolarHBondContact O-CG1 3.42Å; Q33-I38 PolarHBondContact O-N 3.41Å; Q33-Q39 PolarHBondContact OE1-O 3.43Å; Q33-E40 VanDerWaalsContact OE1-C 3.3Å; Q33-E40 VanDerWaalsContact OE1-CA 3.3Å; Q33-T41 PolarHBondContact NE2-OG1 2.78Å; Q33-L43 PolarHBondContact NE2-O 2.98Å; Q33-L43 VanDerWaalsContact NE2-O 3.11Å; Q33-T48 HydrophobicContact CG-CG2 4.37Å; Q33-T48 PolarHBondContact NE2-OG1 2.84Å
34	R	84.4	Confident	87.4	Confident	155 Å²	155	53.7 Å²	53.7	59%	0.585	28%	0.28	S	S	*	.	H	α-helix	trans	-57.2	-49.1	174.1	-177.7	-177.1	-67.6	172.2	3.9	111.4	R30 V31 M32 G36 G37 E40	R30-R34 WeakPolarHBondContact O-CB 3.2Å; R30-R34 PolarHBondContact O-N 2.87Å; V31-R34 PolarHBondContact O-N 2.68Å; M32-R34 PolarHBondContact O-N 3.19Å; R34-G36 VanDerWaalsContact C-N 3.33Å; R34-G36 PolarHBondContact O-N 2.94Å; R34-G37 PolarHBondContact O-N 3.22Å; R34-G37 VanDerWaalsContact O-N 3.16Å; R34-E40 HydrophobicContact CB-CG 3.96Å; R34-E40 IonicContact CZ-OE1 2.85Å; R34-E40 IonicContact CZ-OE2 2.83Å; R34-E40 VanDerWaalsContact NE-CD 3.31Å; R34-E40 IonicContact NE-OE1 2.68Å; R34-E40 PolarHBondContact NE-OE1 3.09Å; R34-E40 IonicContact NE-OE2 3.66Å; R34-E40 PolarHBondContact NE-OE2 3.22Å; R34-E40 VanDerWaalsContact NH2-CD 3.34Å; R34-E40 IonicContact NH2-OE1 3.16Å; R34-E40 PolarHBondContact NH2-OE1 2.94Å; R34-E40 VanDerWaalsContact NH2-OE1 3.13Å; R34-E40 IonicContact NH2-OE2 2.72Å; R34-E40 PolarHBondContact NH2-OE2 2.85Å
35	F	82.9	Confident	88.1	Confident	30 Å²	30	54.5 Å²	54.5	13%	0.132	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-38.6	-178.8	-163.8	-80.8	0	0	0	112	Y8 V31 M32 Q33 G37 D61 H198 S200 P208	Y8-F35 HydrophobicContact CE1-CB 4Å; Y8-F35 HydrophobicContact CE1-CG 4.38Å; Y8-F35 WeakPolarHBondContact OH-CB 3.17Å; Y8-F35 VanDerWaalsContact OH-CD1 3.32Å; Y8-F35 WeakPolarHBondContact OH-CD1 3.45Å; Y8-F35 WeakPolarHBondContact OH-CG 3.33Å; V31-F35 WeakPolarHBondContact O-CB 3.3Å; V31-F35 PolarHBondContact O-N 2.94Å; M32-F35 PolarHBondContact O-N 3.07Å; Q33-F35 PolarHBondContact O-N 2.87Å; F35-G37 VanDerWaalsContact C-N 3.26Å; F35-G37 PolarHBondContact O-N 3.32Å; F35-D61 HydrophobicContact CD1-CB 4.27Å; F35-D61 HydrophobicContact CE1-CB 4.04Å; F35-D61 HydrophobicContact CZ-CB 4.19Å; F35-H198 HydrophobicContact CE1-CB 4.16Å; F35-H198 HydrophobicContact CZ-CB 3.88Å; F35-S200 WeakPolarHBondContact O-CB 3.32Å; F35-P208 HydrophobicContact CD1-CG 4.24Å; F35-P208 HydrophobicContact CE1-CG 3.82Å
36	G	82.8	Confident	88.7	Confident	3 Å²	3	55.8 Å²	55.8	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-75.8	-7.1	175.3	0	0	0	0	0	115.1	M32 Q33 R34 R207	M32-G36 PolarHBondContact O-N 2.84Å; Q33-G36 CarbonylContact O-C 3.47Å; Q33-G36 PolarHBondContact O-N 2.97Å; R34-G36 VanDerWaalsContact C-N 3.33Å; R34-G36 PolarHBondContact O-N 2.94Å; G36-R207 PolarHBondContact O-NH2 2.75Å; G36-R207 VanDerWaalsContact O-NH2 3.1Å
37	G	85.9	Confident	88.9	Confident	60 Å²	60	58.5 Å²	58.5	62%	0.619	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	23.7	179.6	0	0	0	0	0	114.5	Q33 R34 F35	Q33-G37 PolarHBondContact O-N 3.5Å; R34-G37 PolarHBondContact O-N 3.22Å; R34-G37 VanDerWaalsContact O-N 3.16Å; F35-G37 VanDerWaalsContact C-N 3.26Å; F35-G37 PolarHBondContact O-N 3.32Å
38	I	90.6	Very high	89.5	Confident	41 Å²	41	54 Å²	54	21%	0.21	28%	0.284	C	S	.	.	S	Bend	trans	-110.2	167.9	175.2	65.5	170.4	0	0	0	111.3	Q33 E40 L51	Q33-I38 CarbonylContact C-O 3.58Å; Q33-I38 HydrophobicContact CB-CD1 4.28Å; Q33-I38 HydrophobicContact CB-CG1 3.73Å; Q33-I38 HydrophobicContact CG-CD1 3.79Å; Q33-I38 HydrophobicContact CG-CG1 3.82Å; Q33-I38 WeakPolarHBondContact O-CG1 3.42Å; Q33-I38 PolarHBondContact O-N 3.41Å; I38-E40 PolarHBondContact O-N 3.35Å; I38-L51 HydrophobicContact CD1-CB 4.07Å; I38-L51 HydrophobicContact CD1-CD2 3.54Å; I38-L51 HydrophobicContact CD1-CG 4.44Å; I38-L51 HydrophobicContact CG1-CD2 3.85Å; I38-L51 HydrophobicContact CG2-CD2 4.33Å
39	Q	89.5	Confident	90	Very high	160 Å²	160	58.2 Å²	58.2	75%	0.748	31%	0.305	S	S	*	.			trans	-62.7	133.2	-176.2	-171	175.8	10.9	0	0	112.2	Q33 T41	Q33-Q39 PolarHBondContact OE1-O 3.43Å; Q39-T41 VanDerWaalsContact C-N 3.29Å; Q39-T41 HydrophobicContact CB-CG2 4.33Å; Q39-T41 HydrophobicContact CG-CG2 4.1Å; Q39-T41 PolarHBondContact O-N 3.37Å
40	E	94.3	Very high	90.2	Very high	79 Å²	79	63.9 Å²	63.9	37%	0.369	33%	0.329	S	S	.	.			trans	-77.2	68.1	-178.8	-62.6	-180	-136.6	0	0	113	R30 Q33 R34 I38	R30-E40 HydrophobicContact CB-CB 4.3Å; R30-E40 HydrophobicContact CG-CB 4.27Å; Q33-E40 VanDerWaalsContact OE1-C 3.3Å; Q33-E40 VanDerWaalsContact OE1-CA 3.3Å; R34-E40 HydrophobicContact CB-CG 3.96Å; R34-E40 IonicContact CZ-OE1 2.85Å; R34-E40 IonicContact CZ-OE2 2.83Å; R34-E40 VanDerWaalsContact NE-CD 3.31Å; R34-E40 IonicContact NE-OE1 2.68Å; R34-E40 PolarHBondContact NE-OE1 3.09Å; R34-E40 IonicContact NE-OE2 3.66Å; R34-E40 PolarHBondContact NE-OE2 3.22Å; R34-E40 VanDerWaalsContact NH2-CD 3.34Å; R34-E40 IonicContact NH2-OE1 3.16Å; R34-E40 PolarHBondContact NH2-OE1 2.94Å; R34-E40 VanDerWaalsContact NH2-OE1 3.13Å; R34-E40 IonicContact NH2-OE2 2.72Å; R34-E40 PolarHBondContact NH2-OE2 2.85Å; I38-E40 PolarHBondContact O-N 3.35Å
41	T	90.8	Very high	90.5	Very high	39 Å²	39	61.6 Å²	61.6	24%	0.239	32%	0.322	C	S	.	.			trans	-76.4	-28.6	178.5	67.8	0	0	0	0	112.4	Q33 Q39 L43 D45	Q33-T41 PolarHBondContact NE2-OG1 2.78Å; Q39-T41 VanDerWaalsContact C-N 3.29Å; Q39-T41 HydrophobicContact CB-CG2 4.33Å; Q39-T41 HydrophobicContact CG-CG2 4.1Å; Q39-T41 PolarHBondContact O-N 3.37Å; T41-L43 PolarHBondContact O-N 3.45Å; T41-L43 PolarHBondContact OG1-N 3.27Å; T41-L43 PolarHBondContact OG1-O 3.47Å; T41-D45 WeakPolarHBondContact CB-OD2 3.32Å; T41-D45 VanDerWaalsContact CG2-OD2 3.24Å; T41-D45 WeakPolarHBondContact CG2-OD2 3.19Å; T41-D45 PolarHBondContact OG1-OD2 3.02Å
42	G	88.3	Confident	91	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.01	32%	0.318	C	S	.	.	S	Bend	trans	72.1	7.5	-170.4	0	0	0	0	0	113.7	E26 R30	E26-G42 WeakPolarHBondContact CA-O 3.18Å; E26-G42 WeakPolarHBondContact CG-O 3.44Å; E26-G42 WeakPolarHBondContact O-CA 3.32Å; R30-G42 VanDerWaalsContact CG-CA 3.46Å
43	L	93.8	Very high	91	Very high	102 Å²	102	65.4 Å²	65.4	53%	0.534	35%	0.347	S	S	.	.	S	Bend	trans	-112.8	152.9	179.9	-58.2	177.9	0	0	0	110	Q33 T41 D45 T48	Q33-L43 PolarHBondContact NE2-O 2.98Å; Q33-L43 VanDerWaalsContact NE2-O 3.11Å; T41-L43 PolarHBondContact O-N 3.45Å; T41-L43 PolarHBondContact OG1-N 3.27Å; T41-L43 PolarHBondContact OG1-O 3.47Å; L43-D45 PolarHBondContact O-N 2.82Å; L43-T48 PolarHBondContact O-OG1 3.09Å
44	I	92.7	Very high	91.1	Very high	98 Å²	98	67.3 Å²	67.3	50%	0.503	36%	0.358	S	S	.	.			trans	-82.8	70.5	170.4	-55	-178.9	0	0	0	108	I29 L49	I29-I44 HydrophobicContact CD1-CD1 4.27Å; I29-I44 HydrophobicContact CD1-CG1 3.7Å; I44-L49 HydrophobicContact CG2-CD1 4.27Å; I44-L49 HydrophobicContact CG2-CD2 3.39Å; I44-L49 HydrophobicContact CG2-CG 3.59Å
45	D	93.2	Very high	91.5	Very high	46 Å²	46	61.8 Å²	61.8	25%	0.246	34%	0.343	C	S	.	.			trans	-81.5	178.8	175.3	58.7	38.6	0	0	0	112	T41 L43 E47 T48 L49	T41-D45 WeakPolarHBondContact CB-OD2 3.32Å; T41-D45 VanDerWaalsContact CG2-OD2 3.24Å; T41-D45 WeakPolarHBondContact CG2-OD2 3.19Å; T41-D45 PolarHBondContact OG1-OD2 3.02Å; L43-D45 PolarHBondContact O-N 2.82Å; D45-E47 VanDerWaalsContact C-N 3.34Å; D45-E47 PolarHBondContact O-N 3.35Å; D45-E47 PolarHBondContact OD1-N 2.82Å; D45-T48 WeakPolarHBondContact O-CB 3.38Å; D45-T48 PolarHBondContact O-N 3.49Å; D45-T48 VanDerWaalsContact OD1-CB 3.27Å; D45-T48 WeakPolarHBondContact OD1-CB 3.32Å; D45-T48 PolarHBondContact OD1-N 3.01Å; D45-T48 PolarHBondContact OD1-OG1 2.79Å; D45-L49 PolarHBondContact O-N 2.79Å
46	S	96.3	Very high	92.1	Very high	89 Å²	89	60.5 Å²	60.5	62%	0.622	34%	0.337	S	S	*	.	H	α-helix	trans	-61.9	-38.6	-175.4	55.6	0	0	0	0	113.4	K50	S46-K50 WeakPolarHBondContact O-CB 3.07Å; S46-K50 PolarHBondContact O-N 2.96Å
47	E	93.9	Very high	92.6	Very high	102 Å²	102	60.6 Å²	60.6	48%	0.477	34%	0.337	S	S	.	.	H	α-helix	trans	-70.1	-37.4	177.7	-70.4	-59.5	111.4	0	0	110.8	D45 K50 L51	D45-E47 VanDerWaalsContact C-N 3.34Å; D45-E47 PolarHBondContact O-N 3.35Å; D45-E47 PolarHBondContact OD1-N 2.82Å; E47-K50 PolarHBondContact O-N 2.87Å; E47-L51 WeakPolarHBondContact O-CB 3.48Å; E47-L51 PolarHBondContact O-N 3.48Å
48	T	93.6	Very high	92.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-45.4	174.6	-54.6	0	0	0	0	111.7	I29 M32 Q33 L43 D45 K50 L51 M52	I29-T48 HydrophobicContact CG2-CG2 4.29Å; M32-T48 HydrophobicContact CE-CG2 3.49Å; M32-T48 VanDerWaalsContact CE-CG2 3.49Å; Q33-T48 HydrophobicContact CG-CG2 4.37Å; Q33-T48 PolarHBondContact NE2-OG1 2.84Å; L43-T48 PolarHBondContact O-OG1 3.09Å; D45-T48 WeakPolarHBondContact O-CB 3.38Å; D45-T48 PolarHBondContact O-N 3.49Å; D45-T48 VanDerWaalsContact OD1-CB 3.27Å; D45-T48 WeakPolarHBondContact OD1-CB 3.32Å; D45-T48 PolarHBondContact OD1-N 3.01Å; D45-T48 PolarHBondContact OD1-OG1 2.79Å; T48-K50 VanDerWaalsContact C-N 3.34Å; T48-K50 PolarHBondContact O-N 3.46Å; T48-L51 PolarHBondContact O-N 2.84Å; T48-M52 HydrophobicContact CG2-SD 4Å; T48-M52 WeakPolarHBondContact O-CB 3.35Å; T48-M52 VanDerWaalsContact O-CG 3.22Å; T48-M52 WeakPolarHBondContact O-CG 3.39Å; T48-M52 PolarHBondContact O-N 3.43Å
49	L	95	Very high	92.2	Very high	95 Å²	95	57.6 Å²	57.6	50%	0.497	31%	0.308	S	S	.	.	H	α-helix	trans	-62.9	-41.5	175.6	-75.4	171.7	0	0	0	112	I44 D45 M52 S53	I44-L49 HydrophobicContact CG2-CD1 4.27Å; I44-L49 HydrophobicContact CG2-CD2 3.39Å; I44-L49 HydrophobicContact CG2-CG 3.59Å; D45-L49 PolarHBondContact O-N 2.79Å; L49-M52 PolarHBondContact O-N 3Å; L49-S53 WeakPolarHBondContact O-CB 3.47Å; L49-S53 PolarHBondContact O-N 3.16Å; L49-S53 PolarHBondContact O-OG 2.87Å
50	K	94.1	Very high	91.7	Very high	127 Å²	127	52.1 Å²	52.1	55%	0.552	29%	0.287	S	S	*	.	H	α-helix	trans	-59.9	-48.5	176.1	-177	-177.3	175	-168.2	0	110.9	S46 E47 T48 S53 T54	S46-K50 WeakPolarHBondContact O-CB 3.07Å; S46-K50 PolarHBondContact O-N 2.96Å; E47-K50 PolarHBondContact O-N 2.87Å; T48-K50 VanDerWaalsContact C-N 3.34Å; T48-K50 PolarHBondContact O-N 3.46Å; K50-S53 WeakPolarHBondContact CA-OG 3.37Å; K50-S53 PolarHBondContact O-N 3.39Å; K50-S53 PolarHBondContact O-OG 2.92Å; K50-T54 PolarHBondContact O-N 2.89Å; K50-T54 PolarHBondContact O-OG1 2.98Å
51	L	91.6	Very high	91	Very high	19 Å²	19	48.7 Å²	48.7	10%	0.099	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-48.1	175.1	-176.7	70.6	0	0	0	111.7	M32 I38 E47 T48 S53 T54 Y209	M32-L51 HydrophobicContact SD-CD2 3.75Å; I38-L51 HydrophobicContact CD1-CB 4.07Å; I38-L51 HydrophobicContact CD1-CD2 3.54Å; I38-L51 HydrophobicContact CD1-CG 4.44Å; I38-L51 HydrophobicContact CG1-CD2 3.85Å; I38-L51 HydrophobicContact CG2-CD2 4.33Å; E47-L51 WeakPolarHBondContact O-CB 3.48Å; E47-L51 PolarHBondContact O-N 3.48Å; T48-L51 PolarHBondContact O-N 2.84Å; L51-S53 PolarHBondContact O-N 3Å; L51-T54 VanDerWaalsContact O-CB 3.24Å; L51-T54 WeakPolarHBondContact O-CB 3.19Å; L51-T54 PolarHBondContact O-N 3.3Å; L51-T54 PolarHBondContact O-OG1 2.84Å; L51-Y209 HydrophobicContact CD1-CD1 3.92Å; L51-Y209 HydrophobicContact CD1-CD2 3.83Å; L51-Y209 HydrophobicContact CD1-CE1 3.86Å; L51-Y209 HydrophobicContact CD1-CE2 3.8Å; L51-Y209 HydrophobicContact CD1-CG 3.9Å; L51-Y209 HydrophobicContact CD2-CE1 4.48Å; L51-Y209 HydrophobicContact CD2-CE2 4.23Å; L51-Y209 HydrophobicContact CG-CD1 4.29Å; L51-Y209 HydrophobicContact CG-CE1 3.75Å; L51-Y209 HydrophobicContact CG-CE2 4.13Å; L51-Y209 WeakPolarHBondContact O-CE1 3.17Å
52	M	93.8	Very high	89.8	Confident	41 Å²	41	50.1 Å²	50.1	20%	0.202	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-25.4	-180	-71.3	174.7	75.3	0	0	113.8	W2 M32 T48 L49	W2-M52 HydrophobicContact CB-CE 3.58Å; W2-M52 HydrophobicContact CD2-CE 3.55Å; W2-M52 HydrophobicContact CD2-CG 4.09Å; W2-M52 HydrophobicContact CE3-CE 3.92Å; W2-M52 HydrophobicContact CE3-CG 4.39Å; W2-M52 HydrophobicContact CG-CE 3.38Å; W2-M52 HydrophobicContact CZ2-CB 4.37Å; W2-M52 HydrophobicContact CZ2-CG 4.11Å; W2-M52 PolarHBondContact NE1-O 3.28Å; W2-M52 VanDerWaalsContact NE1-O 3.11Å; M32-M52 HydrophobicContact CE-CG 3.79Å; M32-M52 HydrophobicContact CE-SD 3.89Å; T48-M52 HydrophobicContact CG2-SD 4Å; T48-M52 WeakPolarHBondContact O-CB 3.35Å; T48-M52 VanDerWaalsContact O-CG 3.22Å; T48-M52 WeakPolarHBondContact O-CG 3.39Å; T48-M52 PolarHBondContact O-N 3.43Å; L49-M52 PolarHBondContact O-N 3Å
53	S	92.2	Very high	88.2	Confident	87 Å²	87	52.1 Å²	52.1	61%	0.608	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-8.7	174.9	69.6	0	0	0	0	114.1	L49 K50 L51	L49-S53 WeakPolarHBondContact O-CB 3.47Å; L49-S53 PolarHBondContact O-N 3.16Å; L49-S53 PolarHBondContact O-OG 2.87Å; K50-S53 WeakPolarHBondContact CA-OG 3.37Å; K50-S53 PolarHBondContact O-N 3.39Å; K50-S53 PolarHBondContact O-OG 2.92Å; L51-S53 PolarHBondContact O-N 3Å
54	T	92.8	Very high	85.5	Confident	39 Å²	39	59.3 Å²	59.3	24%	0.239	32%	0.319	C	S	.	.	S	Bend	trans	-69.5	129.7	179.8	-57.9	0	0	0	0	108.8	K50 L51	K50-T54 PolarHBondContact O-N 2.89Å; K50-T54 PolarHBondContact O-OG1 2.98Å; L51-T54 VanDerWaalsContact O-CB 3.24Å; L51-T54 WeakPolarHBondContact O-CB 3.19Å; L51-T54 PolarHBondContact O-N 3.3Å; L51-T54 PolarHBondContact O-OG1 2.84Å
55	P	94.4	Very high	82.9	Confident	40 Å²	40	58.5 Å²	58.5	26%	0.26	33%	0.327	S	S	.	.			trans	-54	142.4	175	-24.4	33.5	0	0	0	111.2	G146 L148 Y210	P55-G146 CarbonylContact C-O 3.53Å; P55-G146 VanDerWaalsContact CA-O 3.24Å; P55-G146 WeakPolarHBondContact CA-O 3.42Å; P55-L148 HydrophobicContact CB-CD1 3.92Å; P55-L148 HydrophobicContact CB-CD2 3.7Å; P55-L148 HydrophobicContact CB-CG 3.83Å; P55-Y210 WeakPolarHBondContact O-CB 3.32Å; P55-Y210 PolarHBondContact O-N 3.33Å
56	R	94.2	Very high	80.7	Confident	3 Å²	3	57.6 Å²	57.6	1%	0.011	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-155.3	169	-169.6	58.7	168.9	-69.5	154.4	2.2	113.3	Y6 L59 D61 G146 T147 L148 P208 Y209	Y6-R56 VanDerWaalsContact CZ-CD 3.5Å; Y6-R56 VanDerWaalsContact CZ-NE 3.33Å; R56-L59 PolarHBondContact NH2-O 3.27Å; R56-D61 IonicContact CZ-OD1 3.37Å; R56-D61 IonicContact CZ-OD2 3.75Å; R56-D61 IonicContact NH1-OD1 3Å; R56-D61 IonicContact NH1-OD2 3.85Å; R56-D61 PolarHBondContact NH1-OD2 3.32Å; R56-D61 IonicContact NH2-OD1 3.88Å; R56-D61 PolarHBondContact NH2-OD1 3.46Å; R56-D61 IonicContact NH2-OD2 3.61Å; R56-D61 PolarHBondContact NH2-OD2 3.23Å; R56-D61 VanDerWaalsContact NH2-OD2 3.13Å; R56-G146 PolarHBondContact N-O 3.01Å; R56-T147 WeakPolarHBondContact O-CA 3.31Å; R56-L148 PolarHBondContact O-N 2.98Å; R56-P208 CarbonylContact C-O 3.6Å; R56-P208 WeakPolarHBondContact CA-O 3.39Å; R56-P208 WeakPolarHBondContact CB-O 3.46Å; R56-P208 VanDerWaalsContact NH2-CB 3.34Å; R56-Y209 HydrophobicContact CB-CD1 4.28Å
57	C	93.1	Very high	78.2	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.027	33%	0.331	C	S	.	.			trans	-65.5	147.7	167.5	-177.6	0	0	0	0	111.3	Y6 L59 H188 E189 H198 P208	Y6-C57 WeakPolarHBondContact CE1-O 3.44Å; C57-L59 VanDerWaalsContact C-N 3.33Å; C57-H188 WeakPolarHBondContact CB-NE2 3.27Å; C57-E189 PolarHBondContact SG-OE1 2.85Å; C57-H198 WeakPolarHBondContact CB-NE2 3.2Å; C57-P208 PolarHBondContact N-O 3.07Å
58	S	87.5	Confident	76.2	Confident	19 Å²	19	56.8 Å²	56.8	13%	0.133	34%	0.337	C	S	.	.	S	Bend	trans	-73.8	-21.8	-179.7	105	0	0	0	0	113.7	A149 H150	S58-A149 PolarHBondContact N-O 2.76Å; S58-A149 VanDerWaalsContact N-O 3.07Å; S58-H150 WeakPolarHBondContact OG-CB 3.45Å; S58-H150 PolarHBondContact OG-ND1 2.87Å; S58-H150 VanDerWaalsContact OG-ND1 3.11Å
59	L	81.9	Confident	75.2	Confident	19 Å²	19	60.3 Å²	60.3	10%	0.099	36%	0.355	C	S	.	.	S	Bend	trans	-69.3	150.7	-173.9	-65	-178.1	0	0	0	112.8	Y6 R56 C57 H150 A151 F153 H192 H198	Y6-L59 WeakPolarHBondContact CD1-O 3.27Å; R56-L59 PolarHBondContact NH2-O 3.27Å; C57-L59 VanDerWaalsContact C-N 3.33Å; L59-H150 HydrophobicContact CD2-CB 4.38Å; L59-H150 HydrophobicContact CG-CB 4.36Å; L59-A151 WeakPolarHBondContact CD1-O 3.33Å; L59-F153 HydrophobicContact CD1-CE2 3.98Å; L59-F153 HydrophobicContact CD1-CZ 4.35Å; L59-H192 HydrophobicContact CD1-CB 4Å; L59-H192 VanDerWaalsContact CD1-CG 3.49Å; L59-H198 PolarHBondContact O-CE1 2.88Å
60	P	77.8	Confident	74.8	Confident	45 Å²	45	60 Å²	60	29%	0.292	35%	0.35	S	S	.	.			trans	-63.8	143.6	173.9	-20.6	32.5	0	0	0	113.4
61	D	79.8	Confident	74.5	Confident	8 Å²	8	55.2 Å²	55.2	4%	0.043	33%	0.328	C	S	.	.	S	Bend	trans	-77.3	-29.3	177.3	-64.6	-25.8	0	0	0	112	Y6 Y8 F35 R56 H198 P208	Y6-D61 PolarHBondContact O-N 2.96Å; Y8-D61 HydrophobicContact CE1-CB 4.22Å; Y8-D61 HydrophobicContact CE2-CB 3.87Å; Y8-D61 WeakPolarHBondContact CE2-OD2 3.29Å; Y8-D61 VanDerWaalsContact OH-CB 3.23Å; Y8-D61 WeakPolarHBondContact OH-CB 3.5Å; Y8-D61 PolarHBondContact OH-OD2 2.85Å; F35-D61 HydrophobicContact CD1-CB 4.27Å; F35-D61 HydrophobicContact CE1-CB 4.04Å; F35-D61 HydrophobicContact CZ-CB 4.19Å; R56-D61 IonicContact CZ-OD1 3.37Å; R56-D61 IonicContact CZ-OD2 3.75Å; R56-D61 IonicContact NH1-OD1 3Å; R56-D61 IonicContact NH1-OD2 3.85Å; R56-D61 PolarHBondContact NH1-OD2 3.32Å; R56-D61 IonicContact NH2-OD1 3.88Å; R56-D61 PolarHBondContact NH2-OD1 3.46Å; R56-D61 IonicContact NH2-OD2 3.61Å; R56-D61 PolarHBondContact NH2-OD2 3.23Å; R56-D61 VanDerWaalsContact NH2-OD2 3.13Å; D61-H198 IonicContact OD1-CE1 2.83Å; D61-H198 PolarHBondContact OD1-CE1 2.71Å; D61-H198 IonicContact OD1-CG 3.34Å; D61-H198 IonicContact OD1-ND1 2.87Å; D61-H198 PolarHBondContact OD1-ND1 2.63Å; D61-P208 VanDerWaalsContact OD1-CB 3.28Å; D61-P208 WeakPolarHBondContact OD1-CB 3.33Å; D61-P208 WeakPolarHBondContact OD1-CG 3.37Å
62	I	65	Low	74.4	Confident	68 Å²	68	63.2 Å²	63.2	35%	0.349	37%	0.365	S	S	.	.	S	Bend	trans	-139.8	134.3	-173.6	-49.5	-179.5	0	0	0	109.8	G7 Y8 V31	G7-I62 WeakPolarHBondContact CA-O 2.84Å; Y8-I62 HydrophobicContact CD1-CD1 3.59Å; Y8-I62 HydrophobicContact CD1-CG1 4.31Å; Y8-I62 HydrophobicContact CE1-CD1 3.53Å; Y8-I62 HydrophobicContact CE1-CG1 4.07Å; V31-I62 HydrophobicContact CG1-CD1 3.49Å; V31-I62 VanDerWaalsContact CG1-CD1 3.49Å
63	G	55.2	Low	74.2	Confident	43 Å²	43	65.7 Å²	65.7	44%	0.443	37%	0.374	S	S	.	.			trans	171	155.8	177.8	0	0	0	0	0	115.3	A65	G63-A65 VanDerWaalsContact C-N 3.28Å; G63-A65 PolarHBondContact O-N 3.47Å
64	Y	37.2	Very low	74.2	Confident	254 Å²	254	64.2 Å²	64.2	100%	0.996	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.8	-174.3	-86.2	-88.4	0	0	0	115.4
65	A	39.2	Very low	74.2	Confident	81 Å²	81	67.2 Å²	67.2	67%	0.669	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	2.1	-175.4	0	0	0	0	0	114.3	G63	G63-A65 VanDerWaalsContact C-N 3.28Å; G63-A65 PolarHBondContact O-N 3.47Å
66	L	45.3	Very low	74.2	Confident	26 Å²	26	65.3 Å²	65.3	14%	0.136	36%	0.364	C	S	.	.	S	Bend	trans	-91.8	-5.5	-167	-65.7	173.6	0	0	0	114.3	F153 S197	L66-F153 HydrophobicContact CD2-CE2 3.59Å; L66-F153 HydrophobicContact CD2-CZ 3.6Å; L66-S197 WeakPolarHBondContact CB-OG 3.36Å; L66-S197 PolarHBondContact O-OG 2.78Å
67	S	43.8	Very low	74.2	Confident	117 Å²	117	66.3 Å²	66.3	82%	0.818	37%	0.37	S	S	*	.	S	Bend	trans	-112.1	125.8	-172.4	-165.4	0	0	0	0	113.1
68	G	53.6	Low	74.3	Confident	58 Å²	58	66.5 Å²	66.5	60%	0.598	37%	0.371	S	S	*	.	S	Bend	trans	97.1	3.3	164.6	0	0	0	0	0	116.6	K70	G68-K70 PolarHBondContact O-N 3.24Å
69	L	72.3	Confident	74.6	Confident	73 Å²	73	65.6 Å²	65.6	38%	0.382	36%	0.364	S	S	.	.			trans	-76.8	120.7	173	-62.8	178.3	0	0	0	109.5	F153 G195	L69-F153 HydrophobicContact CB-CB 4.24Å; L69-F153 HydrophobicContact CD1-CB 3.56Å; L69-F153 HydrophobicContact CD1-CG 4.13Å; L69-G195 WeakPolarHBondContact O-CA 3.43Å
70	K	85.3	Confident	75.1	Confident	88 Å²	88	65 Å²	65	38%	0.383	36%	0.361	S	S	.	.			trans	-144.9	156.7	176.8	72.9	170.3	-174	173.4	0	111	G68 P154 L233 Y234	G68-K70 PolarHBondContact O-N 3.24Å; K70-P154 VanDerWaalsContact C-CB 3.48Å; K70-L233 WeakPolarHBondContact CD-O 3.42Å; K70-L233 PolarHBondContact NZ-O 3.07Å; K70-Y234 HydrophobicContact CB-CE1 4.23Å
71	W	88.7	Confident	75.8	Confident	28 Å²	28	66.3 Å²	66.3	11%	0.106	36%	0.363	C	S	.	.			trans	-67.8	136.9	167.8	-64.8	106	0	0	0	110.4	K73 L76 D125 P154 C160 A193 Y234	W71-K73 WeakPolarHBondContact CB-O 3.37Å; W71-K73 PolarHBondContact O-N 2.72Å; W71-L76 HydrophobicContact CB-CD2 3.95Å; W71-L76 HydrophobicContact CD2-CD2 3.87Å; W71-L76 HydrophobicContact CE3-CD2 4.4Å; W71-L76 HydrophobicContact CG-CD1 4.04Å; W71-L76 HydrophobicContact CG-CD2 3.65Å; W71-D125 HydrophobicContact CH2-CB 4.29Å; W71-D125 HydrophobicContact CZ2-CB 4.36Å; W71-D125 WeakPolarHBondContact CZ2-O 3.44Å; W71-P154 HydrophobicContact CD2-CB 3.88Å; W71-P154 HydrophobicContact CD2-CG 4.48Å; W71-P154 HydrophobicContact CE3-CB 4.46Å; W71-P154 HydrophobicContact CG-CB 4.01Å; W71-P154 HydrophobicContact CG-CG 4.3Å; W71-P154 HydrophobicContact CZ2-CB 4.31Å; W71-C160 HydrophobicContact CH2-CB 4.3Å; W71-A193 PolarHBondContact NE1-O 3.15Å; W71-Y234 HydrophobicContact CB-CE1 4.27Å; W71-Y234 PolarHBondContact N-OH 2.85Å
72	H	89.8	Confident	76.4	Confident	186 Å²	186	67.7 Å²	67.7	86%	0.861	37%	0.373	S	S	*	.	S	Bend	trans	-82.1	1	173.3	-65.4	-63	0	0	0	113.2
73	K	90.1	Very high	77.7	Confident	94 Å²	94	67.6 Å²	67.6	41%	0.409	37%	0.371	S	S	.	.			trans	-129.6	155.9	176	60.7	174.9	177.2	169	0	109.8	W71 L76 D125	W71-K73 WeakPolarHBondContact CB-O 3.37Å; W71-K73 PolarHBondContact O-N 2.72Å; K73-L76 HydrophobicContact CD-CD2 4.33Å; K73-L76 HydrophobicContact CG-CD2 3.88Å; K73-D125 VanDerWaalsContact CE-CG 3.46Å; K73-D125 WeakPolarHBondContact CE-OD1 3.24Å; K73-D125 WeakPolarHBondContact CE-OD2 3.24Å; K73-D125 IonicContact NZ-OD1 3.71Å; K73-D125 PolarHBondContact NZ-OD1 2.81Å; K73-D125 IonicContact NZ-OD2 2.62Å; K73-D125 PolarHBondContact NZ-OD2 2.83Å
74	T	91.1	Very high	79.5	Confident	55 Å²	55	66.1 Å²	66.1	34%	0.337	35%	0.353	S	S	.	.	S	Bend	trans	-105.7	-22.1	-178.8	46.6	0	0	0	0	113.2	L76 P110 L111 N112	T74-L76 PolarHBondContact O-N 3.01Å; T74-P110 WeakPolarHBondContact CB-O 3.14Å; T74-P110 VanDerWaalsContact CG2-O 3.31Å; T74-P110 WeakPolarHBondContact CG2-O 3.47Å; T74-L111 HydrophobicContact CG2-CD2 4.4Å; T74-L111 WeakPolarHBondContact O-CA 3.27Å; T74-N112 PolarHBondContact O-N 2.82Å
75	D	92.8	Very high	82	Confident	102 Å²	102	58.2 Å²	58.2	55%	0.545	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	98.9	172.1	-59.3	-61.1	0	0	0	109.3	N112	D75-N112 VanDerWaalsContact OD1-CB 3.31Å; D75-N112 WeakPolarHBondContact OD1-CB 3.3Å; D75-N112 PolarHBondContact OD1-ND2 3.26Å
76	L	94.6	Very high	83.9	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	145.1	-178	-60.7	176.4	0	0	0	110.5	W71 K73 T74 L111 N112 F113 R114 D125 L194	W71-L76 HydrophobicContact CB-CD2 3.95Å; W71-L76 HydrophobicContact CD2-CD2 3.87Å; W71-L76 HydrophobicContact CE3-CD2 4.4Å; W71-L76 HydrophobicContact CG-CD1 4.04Å; W71-L76 HydrophobicContact CG-CD2 3.65Å; K73-L76 HydrophobicContact CD-CD2 4.33Å; K73-L76 HydrophobicContact CG-CD2 3.88Å; T74-L76 PolarHBondContact O-N 3.01Å; L76-L111 HydrophobicContact CD1-CD2 4.32Å; L76-N112 PolarHBondContact N-O 3.36Å; L76-F113 HydrophobicContact CB-CD1 3.86Å; L76-F113 HydrophobicContact CB-CE1 3.98Å; L76-F113 HydrophobicContact CD1-CD1 4.45Å; L76-F113 HydrophobicContact CD1-CE1 3.72Å; L76-F113 HydrophobicContact CD1-CZ 4.46Å; L76-F113 HydrophobicContact CG-CE1 4.41Å; L76-F113 CarbonylContact O-C 3.55Å; L76-F113 VanDerWaalsContact O-CA 3.31Å; L76-F113 WeakPolarHBondContact O-CA 3.47Å; L76-R114 PolarHBondContact O-N 2.93Å; L76-D125 HydrophobicContact CB-CB 4.43Å; L76-D125 HydrophobicContact CD2-CB 4.13Å; L76-L194 HydrophobicContact CD1-CD2 3.6Å
77	T	93.7	Very high	85.7	Confident	24 Å²	24	60.5 Å²	60.5	15%	0.147	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.1	176.2	53.5	0	0	0	0	110.6	R114 L116 D125 I126	T77-R114 VanDerWaalsContact CA-O 3.28Å; T77-R114 WeakPolarHBondContact CA-O 3.44Å; T77-R114 HydrophobicContact CG2-CB 4.49Å; T77-L116 HydrophobicContact CG2-CD1 4.16Å; T77-L116 HydrophobicContact CG2-CD2 4.37Å; T77-L116 HydrophobicContact CG2-CG 4.31Å; T77-D125 PolarHBondContact N-OD2 2.98Å; T77-D125 WeakPolarHBondContact O-CA 3.44Å; T77-D125 WeakPolarHBondContact O-CB 3.45Å; T77-D125 PolarHBondContact O-N 3.07Å; T77-D125 PolarHBondContact OG1-N 2.96Å; T77-D125 PolarHBondContact OG1-OD2 2.93Å; T77-I126 PolarHBondContact O-N 2.85Å
78	W	95	Very high	87.4	Confident	8 Å²	8	60.5 Å²	60.5	3%	0.03	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.5	178.4	69.8	-80.2	0	0	0	112	V80 L98 A99 L102 R114 Q115 L116 I126	W78-V80 HydrophobicContact CE3-CG2 4.12Å; W78-V80 HydrophobicContact CZ3-CG2 3.57Å; W78-L98 HydrophobicContact CH2-CB 4.11Å; W78-L98 HydrophobicContact CZ3-CB 3.87Å; W78-L98 HydrophobicContact CZ3-CD1 4.23Å; W78-A99 HydrophobicContact CH2-CB 4.16Å; W78-A99 HydrophobicContact CZ2-CB 3.87Å; W78-L102 HydrophobicContact CB-CD1 4.21Å; W78-L102 HydrophobicContact CD2-CD1 3.6Å; W78-L102 HydrophobicContact CE3-CD1 4.26Å; W78-L102 HydrophobicContact CG-CD1 3.55Å; W78-L102 HydrophobicContact CZ2-CD1 4.38Å; W78-R114 PolarHBondContact N-O 3.14Å; W78-Q115 HydrophobicContact CD2-CB 4.29Å; W78-Q115 HydrophobicContact CD2-CG 4.07Å; W78-Q115 HydrophobicContact CE3-CG 4.3Å; W78-Q115 HydrophobicContact CH2-CB 4.48Å; W78-Q115 VanDerWaalsContact CH2-CD 3.47Å; W78-Q115 HydrophobicContact CH2-CG 3.94Å; W78-Q115 HydrophobicContact CZ2-CB 3.7Å; W78-Q115 HydrophobicContact CZ2-CG 3.65Å; W78-Q115 HydrophobicContact CZ3-CG 4.26Å; W78-Q115 CarbonylContact O-C 3.41Å; W78-Q115 VanDerWaalsContact O-CA 3.32Å; W78-Q115 WeakPolarHBondContact O-CA 3.41Å; W78-L116 PolarHBondContact O-N 3.24Å; W78-I126 WeakPolarHBondContact CA-O 3.37Å; W78-I126 HydrophobicContact CB-CB 4.03Å; W78-I126 HydrophobicContact CB-CG2 4.48Å; W78-I126 WeakPolarHBondContact CB-O 3.42Å
79	S	93.6	Very high	88.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.8	-177.5	54.4	0	0	0	0	110.7	H81 I126 V128	S79-H81 PolarHBondContact OG-CD2 2.89Å; S79-H81 PolarHBondContact OG-NE2 2.86Å; S79-I126 PolarHBondContact N-O 2.83Å; S79-I126 VanDerWaalsContact N-O 3.11Å; S79-V128 PolarHBondContact O-N 2.78Å
80	V	93.6	Very high	89.8	Confident	6 Å²	6	57.3 Å²	57.3	4%	0.036	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.5	175.8	-173.2	0	0	0	0	108.5	W78 S82 F83 K95 L98 V128	W78-V80 HydrophobicContact CE3-CG2 4.12Å; W78-V80 HydrophobicContact CZ3-CG2 3.57Å; V80-S82 WeakPolarHBondContact CG1-O 3.05Å; V80-F83 HydrophobicContact CB-CE1 4.36Å; V80-F83 HydrophobicContact CB-CZ 4.03Å; V80-F83 HydrophobicContact CG1-CD1 4.15Å; V80-F83 HydrophobicContact CG1-CE1 3.58Å; V80-F83 HydrophobicContact CG1-CE2 4.14Å; V80-F83 HydrophobicContact CG1-CZ 3.55Å; V80-K95 HydrophobicContact CG2-CG 4.32Å; V80-L98 HydrophobicContact CG2-CD1 3.75Å; V80-V128 HydrophobicContact CG2-CB 4.48Å
81	H	91.3	Very high	90.1	Very high	73 Å²	73	56 Å²	56	34%	0.338	30%	0.302	S	S	.	.			trans	-99	-25.8	-172.8	-74	-111.3	0	0	0	113.1	S79 A122 V128	S79-H81 PolarHBondContact OG-CD2 2.89Å; S79-H81 PolarHBondContact OG-NE2 2.86Å; H81-A122 PolarHBondContact CE1-O 2.96Å; H81-A122 PolarHBondContact NE2-O 2.74Å; H81-V128 PolarHBondContact N-O 3.13Å
82	S	92.4	Very high	90.2	Very high	36 Å²	36	59.7 Å²	59.7	25%	0.252	32%	0.324	S	S	.	.			trans	-145.6	167.2	172	60.2	0	0	0	0	110.6	V80 S129 F130	V80-S82 WeakPolarHBondContact CG1-O 3.05Å; S82-S129 WeakPolarHBondContact OG-CA 3.29Å; S82-F130 VanDerWaalsContact O-CD2 3.25Å; S82-F130 WeakPolarHBondContact O-CD2 3.41Å; S82-F130 PolarHBondContact OG-N 3.47Å; S82-F130 PolarHBondContact OG-O 2.79Å
83	F	93.8	Very high	90.2	Very high	67 Å²	67	52 Å²	52	29%	0.294	29%	0.29	S	S	.	.			trans	-126.8	153.1	-179.2	-68.4	-80.7	0	0	0	108.8	V80 S85 P91 V94 K95	V80-F83 HydrophobicContact CB-CE1 4.36Å; V80-F83 HydrophobicContact CB-CZ 4.03Å; V80-F83 HydrophobicContact CG1-CD1 4.15Å; V80-F83 HydrophobicContact CG1-CE1 3.58Å; V80-F83 HydrophobicContact CG1-CE2 4.14Å; V80-F83 HydrophobicContact CG1-CZ 3.55Å; F83-S85 PolarHBondContact O-N 3.12Å; F83-P91 HydrophobicContact CB-CG 4.47Å; F83-P91 HydrophobicContact CD1-CB 3.62Å; F83-P91 HydrophobicContact CD1-CG 4.14Å; F83-P91 HydrophobicContact CD2-CB 4.23Å; F83-P91 HydrophobicContact CD2-CG 4.4Å; F83-P91 HydrophobicContact CE1-CB 3.6Å; F83-P91 WeakPolarHBondContact CE1-O 3.4Å; F83-P91 HydrophobicContact CE2-CB 4.24Å; F83-P91 HydrophobicContact CG-CB 3.95Å; F83-P91 HydrophobicContact CG-CG 4.06Å; F83-P91 HydrophobicContact CZ-CB 3.95Å; F83-V94 HydrophobicContact CD1-CB 3.99Å; F83-V94 HydrophobicContact CD1-CG1 3.92Å; F83-V94 HydrophobicContact CD1-CG2 4.35Å; F83-V94 HydrophobicContact CE1-CB 4.2Å; F83-V94 HydrophobicContact CE1-CG1 4.09Å; F83-K95 HydrophobicContact CE1-CG 4.11Å; F83-K95 VanDerWaalsContact CZ-CE 3.49Å; F83-K95 HydrophobicContact CZ-CG 4.33Å
84	P	92.8	Very high	90.4	Very high	11 Å²	11	47.5 Å²	47.5	7%	0.071	27%	0.271	C	S	.	.			trans	-62	124.3	-177.7	25.7	-32.7	0	0	0	109.8	V94 F130 D167 W171	P84-V94 HydrophobicContact CG-CG2 3.97Å; P84-F130 HydrophobicContact CB-CD1 3.64Å; P84-F130 HydrophobicContact CB-CE1 3.83Å; P84-F130 HydrophobicContact CB-CG 4.2Å; P84-F130 HydrophobicContact CG-CD1 4.16Å; P84-F130 HydrophobicContact CG-CE1 3.93Å; P84-F130 HydrophobicContact CG-CZ 4.2Å; P84-D167 WeakPolarHBondContact CA-OD1 3.31Å; P84-W171 HydrophobicContact CB-CG 4.45Å
85	S	88.7	Confident	90.6	Very high	88 Å²	88	48.4 Å²	48.4	62%	0.615	27%	0.27	S	S	*	.	S	Bend	trans	-86.3	-23.1	-174.1	74.8	0	0	0	0	112.9	F83 D167	F83-S85 PolarHBondContact O-N 3.12Å; S85-D167 WeakPolarHBondContact CB-OD2 3.31Å; S85-D167 PolarHBondContact N-OD1 2.85Å; S85-D167 PolarHBondContact OG-OD2 3.44Å
86	R	80.8	Confident	90.6	Very high	136 Å²	136	44.6 Å²	44.6	51%	0.513	25%	0.25	S	S	.	.	S	Bend	trans	-103	-3.5	-175.1	-53.5	-169.9	-170.8	-166.2	5.4	114.3	D167 H168	R86-D167 WeakPolarHBondContact CD-O 3.47Å; R86-D167 WeakPolarHBondContact CG-O 3.49Å; R86-D167 PolarHBondContact NE-O 3Å; R86-H168 PolarHBondContact NH1-CD2 2.73Å; R86-H168 PolarHBondContact NH2-CD2 2.73Å; R86-H168 VanDerWaalsContact NH2-CD2 3.26Å; R86-H168 PolarHBondContact NH2-NE2 2.9Å
87	S	82.4	Confident	90.7	Very high	19 Å²	19	44.6 Å²	44.6	13%	0.133	25%	0.25	C	S	.	.	S	Bend	trans	-106.9	154.1	-174.3	-56.9	0	0	0	0	111.1	V89 E169 W171	S87-V89 VanDerWaalsContact C-N 3.26Å; S87-V89 PolarHBondContact O-N 3.03Å; S87-E169 PolarHBondContact OG-O 3.36Å; S87-W171 WeakPolarHBondContact CB-O 3.36Å; S87-W171 WeakPolarHBondContact OG-CB 3.43Å; S87-W171 PolarHBondContact OG-N 3.41Å
88	S	79.5	Confident	90.8	Very high	117 Å²	117	43.4 Å²	43.4	82%	0.818	24%	0.243	S	C	*	.			trans	-82.7	-1.2	178.4	53.6	0	0	0	0	113.6	S90	S88-S90 PolarHBondContact O-N 3.1Å
89	V	84.9	Confident	90.9	Very high	13 Å²	13	44 Å²	44	8%	0.079	25%	0.25	C	C	.	.			trans	-73.6	120.7	-177.3	-169.2	0	0	0	0	109.7	S87 V93 V94 W171	S87-V89 VanDerWaalsContact C-N 3.26Å; S87-V89 PolarHBondContact O-N 3.03Å; V89-V93 HydrophobicContact CG1-CB 3.78Å; V89-V93 HydrophobicContact CG1-CG1 3.48Å; V89-V93 VanDerWaalsContact CG1-CG1 3.48Å; V89-V94 HydrophobicContact CB-CG2 4.2Å; V89-V94 HydrophobicContact CG1-CG2 3.71Å; V89-W171 VanDerWaalsContact CG2-O 3.24Å; V89-W171 WeakPolarHBondContact CG2-O 3.46Å
90	S	90.5	Very high	91	Very high	52 Å²	52	45.3 Å²	45.3	36%	0.364	26%	0.256	S	S	.	.			trans	-69.3	153	-179.1	71.7	0	0	0	0	111.7	S88 D92 V93 V94	S88-S90 PolarHBondContact O-N 3.1Å; S90-D92 PolarHBondContact O-N 2.94Å; S90-D92 VanDerWaalsContact O-N 3.16Å; S90-V93 PolarHBondContact O-N 3.43Å; S90-V93 WeakPolarHBondContact OG-CG2 3.37Å; S90-V93 PolarHBondContact OG-N 2.84Å; S90-V94 PolarHBondContact O-N 2.75Å
91	P	91.3	Very high	91.2	Very high	60 Å²	60	45 Å²	45	39%	0.39	26%	0.255	S	S	.	.	H	α-helix	trans	-52.8	-36.4	177.2	-31.4	37.7	0	0	0	114.7	F83 V94 K95	F83-P91 HydrophobicContact CB-CG 4.47Å; F83-P91 HydrophobicContact CD1-CB 3.62Å; F83-P91 HydrophobicContact CD1-CG 4.14Å; F83-P91 HydrophobicContact CD2-CB 4.23Å; F83-P91 HydrophobicContact CD2-CG 4.4Å; F83-P91 HydrophobicContact CE1-CB 3.6Å; F83-P91 WeakPolarHBondContact CE1-O 3.4Å; F83-P91 HydrophobicContact CE2-CB 4.24Å; F83-P91 HydrophobicContact CG-CB 3.95Å; F83-P91 HydrophobicContact CG-CG 4.06Å; F83-P91 HydrophobicContact CZ-CB 3.95Å; P91-V94 PolarHBondContact O-N 2.98Å; P91-K95 VanDerWaalsContact O-CG 3.31Å; P91-K95 WeakPolarHBondContact O-CG 3.47Å; P91-K95 PolarHBondContact O-N 3.21Å
92	D	90.6	Very high	91.5	Very high	106 Å²	106	41.6 Å²	41.6	57%	0.567	24%	0.239	S	C	*	.	H	α-helix	trans	-69.9	-37.8	178.1	-63.2	-39.2	0	0	0	112.1	S90 T96	S90-D92 PolarHBondContact O-N 2.94Å; S90-D92 VanDerWaalsContact O-N 3.16Å; D92-T96 WeakPolarHBondContact O-CB 3.36Å; D92-T96 PolarHBondContact O-N 3.49Å; D92-T96 PolarHBondContact O-OG1 2.66Å
93	V	91.3	Very high	91.6	Very high	24 Å²	24	42.3 Å²	42.3	15%	0.145	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-45.2	173.3	174.2	0	0	0	0	109.9	V89 S90 K95 T96 L97 Y173 F252	V89-V93 HydrophobicContact CG1-CB 3.78Å; V89-V93 HydrophobicContact CG1-CG1 3.48Å; V89-V93 VanDerWaalsContact CG1-CG1 3.48Å; S90-V93 PolarHBondContact O-N 3.43Å; S90-V93 WeakPolarHBondContact OG-CG2 3.37Å; S90-V93 PolarHBondContact OG-N 2.84Å; V93-K95 PolarHBondContact O-N 3.37Å; V93-T96 WeakPolarHBondContact O-CB 3.35Å; V93-T96 PolarHBondContact O-N 3.03Å; V93-T96 VanDerWaalsContact O-N 3.1Å; V93-L97 HydrophobicContact CG1-CD1 3.88Å; V93-L97 HydrophobicContact CG1-CG 4.13Å; V93-L97 VanDerWaalsContact O-CG 3.31Å; V93-L97 WeakPolarHBondContact O-CG 3.34Å; V93-L97 PolarHBondContact O-N 2.9Å; V93-Y173 HydrophobicContact CG1-CD1 4.04Å; V93-Y173 HydrophobicContact CG1-CE1 4.14Å; V93-F252 HydrophobicContact CG1-CE1 4.25Å; V93-F252 HydrophobicContact CG2-CE1 4.29Å
94	V	94.3	Very high	91.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-54.1	-52.8	175.3	171	0	0	0	0	110.8	F83 P84 V89 S90 P91 T96 L97 L98 F130 L182	F83-V94 HydrophobicContact CD1-CB 3.99Å; F83-V94 HydrophobicContact CD1-CG1 3.92Å; F83-V94 HydrophobicContact CD1-CG2 4.35Å; F83-V94 HydrophobicContact CE1-CB 4.2Å; F83-V94 HydrophobicContact CE1-CG1 4.09Å; P84-V94 HydrophobicContact CG-CG2 3.97Å; V89-V94 HydrophobicContact CB-CG2 4.2Å; V89-V94 HydrophobicContact CG1-CG2 3.71Å; S90-V94 PolarHBondContact O-N 2.75Å; P91-V94 PolarHBondContact O-N 2.98Å; V94-T96 VanDerWaalsContact C-N 3.26Å; V94-T96 PolarHBondContact O-N 3.16Å; V94-L97 PolarHBondContact O-N 3.16Å; V94-L98 HydrophobicContact CG1-CD1 3.8Å; V94-L98 HydrophobicContact CG1-CG 4.29Å; V94-L98 VanDerWaalsContact O-CG 3.27Å; V94-L98 WeakPolarHBondContact O-CG 3.36Å; V94-L98 PolarHBondContact O-N 3.09Å; V94-F130 HydrophobicContact CG1-CE2 3.91Å; V94-F130 HydrophobicContact CG1-CZ 4Å; V94-L182 HydrophobicContact CB-CD2 4.38Å; V94-L182 HydrophobicContact CG1-CD2 4.15Å; V94-L182 HydrophobicContact CG2-CD2 3.98Å
95	K	94	Very high	92	Very high	73 Å²	73	38.9 Å²	38.9	32%	0.317	22%	0.223	S	C	.	.	H	α-helix	trans	-56.8	-40.7	177.6	-71	172.2	-170.9	173.7	0	112.2	V80 F83 P91 V93 A99	V80-K95 HydrophobicContact CG2-CG 4.32Å; F83-K95 HydrophobicContact CE1-CG 4.11Å; F83-K95 VanDerWaalsContact CZ-CE 3.49Å; F83-K95 HydrophobicContact CZ-CG 4.33Å; P91-K95 VanDerWaalsContact O-CG 3.31Å; P91-K95 WeakPolarHBondContact O-CG 3.47Å; P91-K95 PolarHBondContact O-N 3.21Å; V93-K95 PolarHBondContact O-N 3.37Å; K95-A99 VanDerWaalsContact O-CB 3.31Å; K95-A99 WeakPolarHBondContact O-CB 3.48Å; K95-A99 PolarHBondContact O-N 3.44Å
96	T	93.7	Very high	92.3	Very high	23 Å²	23	35 Å²	35	14%	0.141	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-45.9	178.7	-56.9	0	0	0	0	111.5	D92 V93 V94 A99 L100	D92-T96 WeakPolarHBondContact O-CB 3.36Å; D92-T96 PolarHBondContact O-N 3.49Å; D92-T96 PolarHBondContact O-OG1 2.66Å; V93-T96 WeakPolarHBondContact O-CB 3.35Å; V93-T96 PolarHBondContact O-N 3.03Å; V93-T96 VanDerWaalsContact O-N 3.1Å; V94-T96 VanDerWaalsContact C-N 3.26Å; V94-T96 PolarHBondContact O-N 3.16Å; T96-A99 PolarHBondContact O-N 2.95Å; T96-L100 HydrophobicContact CG2-CD1 4.11Å; T96-L100 WeakPolarHBondContact O-CG 3.34Å; T96-L100 PolarHBondContact O-N 2.95Å
97	L	95.6	Very high	93	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-42.8	178.7	-63	173.4	0	0	0	111.4	V93 V94 L100 A101 Y173 L182 F183 V217	V93-L97 HydrophobicContact CG1-CD1 3.88Å; V93-L97 HydrophobicContact CG1-CG 4.13Å; V93-L97 VanDerWaalsContact O-CG 3.31Å; V93-L97 WeakPolarHBondContact O-CG 3.34Å; V93-L97 PolarHBondContact O-N 2.9Å; V94-L97 PolarHBondContact O-N 3.16Å; L97-L100 PolarHBondContact O-N 2.86Å; L97-A101 WeakPolarHBondContact O-CB 3.41Å; L97-A101 PolarHBondContact O-N 3.48Å; L97-Y173 HydrophobicContact CD1-CG 4.33Å; L97-L182 HydrophobicContact CD1-CB 4.33Å; L97-L182 HydrophobicContact CD1-CD2 4.24Å; L97-F183 HydrophobicContact CD2-CB 4.22Å; L97-V217 HydrophobicContact CD2-CG1 4.28Å; L97-V217 HydrophobicContact CD2-CG2 4.43Å
98	L	97.1	Very high	93.4	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-42.1	175.9	-63.3	174	0	0	0	111.6	W78 V80 V94 A101 L102 V128 F165 A186 F190	W78-L98 HydrophobicContact CH2-CB 4.11Å; W78-L98 HydrophobicContact CZ3-CB 3.87Å; W78-L98 HydrophobicContact CZ3-CD1 4.23Å; V80-L98 HydrophobicContact CG2-CD1 3.75Å; V94-L98 HydrophobicContact CG1-CD1 3.8Å; V94-L98 HydrophobicContact CG1-CG 4.29Å; V94-L98 VanDerWaalsContact O-CG 3.27Å; V94-L98 WeakPolarHBondContact O-CG 3.36Å; V94-L98 PolarHBondContact O-N 3.09Å; L98-A101 PolarHBondContact O-N 3.5Å; L98-L102 PolarHBondContact O-N 2.96Å; L98-V128 HydrophobicContact CD1-CB 4.27Å; L98-V128 HydrophobicContact CD1-CG1 3.76Å; L98-V128 HydrophobicContact CD1-CG2 4.33Å; L98-V128 HydrophobicContact CD2-CG1 4.38Å; L98-F165 HydrophobicContact CD2-CE2 4.16Å; L98-F165 HydrophobicContact CD2-CZ 4.03Å; L98-A186 HydrophobicContact CD2-CB 3.75Å; L98-F190 HydrophobicContact CB-CE2 4.24Å; L98-F190 HydrophobicContact CB-CZ 4.28Å; L98-F190 HydrophobicContact CD2-CE2 4.05Å; L98-F190 HydrophobicContact CD2-CZ 3.87Å; L98-F190 WeakPolarHBondContact O-CE2 3.47Å
99	A	95.9	Very high	94.1	Very high	21 Å²	21	26.4 Å²	26.4	17%	0.174	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-42.5	176.1	0	0	0	0	0	112.1	W78 K95 T96 A101 L102 K103 P247	W78-A99 HydrophobicContact CH2-CB 4.16Å; W78-A99 HydrophobicContact CZ2-CB 3.87Å; K95-A99 VanDerWaalsContact O-CB 3.31Å; K95-A99 WeakPolarHBondContact O-CB 3.48Å; K95-A99 PolarHBondContact O-N 3.44Å; T96-A99 PolarHBondContact O-N 2.95Å; A99-A101 VanDerWaalsContact C-N 3.34Å; A99-L102 PolarHBondContact O-N 2.72Å; A99-K103 WeakPolarHBondContact O-CB 3.24Å; A99-K103 PolarHBondContact O-N 2.71Å; A99-P247 HydrophobicContact CB-CG 4.21Å
100	L	96	Very high	94.5	Very high	26 Å²	26	27.7 Å²	27.7	14%	0.136	16%	0.159	C	C	.	.	H	α-helix	trans	-66.5	-35.8	175.4	-70.9	171.4	0	0	0	111.9	T96 L97 K103 A104 F183 V217 P247	T96-L100 HydrophobicContact CG2-CD1 4.11Å; T96-L100 WeakPolarHBondContact O-CG 3.34Å; T96-L100 PolarHBondContact O-N 2.95Å; L97-L100 PolarHBondContact O-N 2.86Å; L100-K103 HydrophobicContact CD2-CD 4.33Å; L100-K103 WeakPolarHBondContact O-CB 3.48Å; L100-K103 PolarHBondContact O-N 3.14Å; L100-A104 PolarHBondContact O-N 2.75Å; L100-F183 HydrophobicContact CB-CD2 4.23Å; L100-F183 HydrophobicContact CB-CE2 3.67Å; L100-V217 HydrophobicContact CD1-CB 4.29Å; L100-V217 HydrophobicContact CD1-CG2 3.84Å; L100-P247 HydrophobicContact CD2-CG 4.48Å
101	A	97.7	Very high	94.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-44.1	176.6	0	0	0	0	0	111.5	L97 L98 A99 K103 A104 F183 A186 V187 F190	L97-A101 WeakPolarHBondContact O-CB 3.41Å; L97-A101 PolarHBondContact O-N 3.48Å; L98-A101 PolarHBondContact O-N 3.5Å; A99-A101 VanDerWaalsContact C-N 3.34Å; A101-K103 VanDerWaalsContact C-N 3.28Å; A101-K103 PolarHBondContact O-N 3.4Å; A101-A104 WeakPolarHBondContact O-CB 3.13Å; A101-A104 PolarHBondContact O-N 3.4Å; A101-F183 HydrophobicContact CB-CD2 4.25Å; A101-F183 HydrophobicContact CB-CE2 4.2Å; A101-A186 HydrophobicContact CB-CB 3.82Å; A101-V187 HydrophobicContact CB-CB 4.46Å; A101-V187 HydrophobicContact CB-CG2 3.66Å; A101-F190 HydrophobicContact CB-CD2 3.76Å; A101-F190 HydrophobicContact CB-CE2 3.92Å
102	L	97.8	Very high	94.8	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-62.8	-36.3	170.9	-70.4	170.8	0	0	0	111.8	W78 L98 A99 A104 W105 S106 F113 I126 F190	W78-L102 HydrophobicContact CB-CD1 4.21Å; W78-L102 HydrophobicContact CD2-CD1 3.6Å; W78-L102 HydrophobicContact CE3-CD1 4.26Å; W78-L102 HydrophobicContact CG-CD1 3.55Å; W78-L102 HydrophobicContact CZ2-CD1 4.38Å; L98-L102 PolarHBondContact O-N 2.96Å; A99-L102 PolarHBondContact O-N 2.72Å; L102-A104 VanDerWaalsContact C-N 3.32Å; L102-A104 PolarHBondContact O-N 3.4Å; L102-W105 PolarHBondContact O-N 2.86Å; L102-S106 PolarHBondContact O-N 3.46Å; L102-F113 HydrophobicContact CB-CB 4.37Å; L102-F113 HydrophobicContact CB-CD1 4.42Å; L102-F113 HydrophobicContact CB-CD2 3.75Å; L102-F113 HydrophobicContact CB-CE2 4.08Å; L102-F113 HydrophobicContact CB-CG 3.93Å; L102-F113 HydrophobicContact CD1-CB 4.24Å; L102-F113 HydrophobicContact CD1-CD1 4.26Å; L102-F113 HydrophobicContact CD1-CG 4.22Å; L102-F113 HydrophobicContact CD2-CD1 3.87Å; L102-F113 HydrophobicContact CD2-CD2 4.49Å; L102-F113 HydrophobicContact CD2-CE1 3.73Å; L102-F113 HydrophobicContact CD2-CE2 4.37Å; L102-F113 HydrophobicContact CD2-CG 4.25Å; L102-F113 HydrophobicContact CD2-CZ 4Å; L102-F113 HydrophobicContact CG-CD1 4.41Å; L102-F113 HydrophobicContact CG-CG 4.36Å; L102-F113 WeakPolarHBondContact O-CE2 3.34Å; L102-I126 HydrophobicContact CD2-CD1 4.19Å; L102-F190 HydrophobicContact CD1-CE2 4.29Å; L102-F190 HydrophobicContact CD1-CZ 4.39Å; L102-F190 HydrophobicContact CD2-CB 4.06Å; L102-F190 HydrophobicContact CD2-CD1 3.97Å; L102-F190 HydrophobicContact CD2-CD2 3.57Å; L102-F190 HydrophobicContact CD2-CE1 4.28Å; L102-F190 HydrophobicContact CD2-CE2 3.91Å; L102-F190 HydrophobicContact CD2-CG 3.6Å; L102-F190 HydrophobicContact CD2-CZ 4.23Å; L102-F190 HydrophobicContact CG-CD2 3.65Å; L102-F190 HydrophobicContact CG-CE2 3.6Å; L102-F190 HydrophobicContact CG-CG 4.22Å; L102-F190 HydrophobicContact CG-CZ 4.11Å
103	K	95.4	Very high	95.1	Very high	50 Å²	50	21.1 Å²	21.1	22%	0.217	12%	0.115	C	C	.	.	H	α-helix	trans	-61.1	-38.6	175.9	-169.4	-170.5	179.6	-53.1	0	112.2	A99 L100 A101 W105 S106 D107 N246	A99-K103 WeakPolarHBondContact O-CB 3.24Å; A99-K103 PolarHBondContact O-N 2.71Å; L100-K103 HydrophobicContact CD2-CD 4.33Å; L100-K103 WeakPolarHBondContact O-CB 3.48Å; L100-K103 PolarHBondContact O-N 3.14Å; A101-K103 VanDerWaalsContact C-N 3.28Å; A101-K103 PolarHBondContact O-N 3.4Å; K103-W105 PolarHBondContact O-N 3.31Å; K103-S106 WeakPolarHBondContact CA-OG 3.45Å; K103-S106 PolarHBondContact O-N 2.98Å; K103-S106 VanDerWaalsContact O-N 3.15Å; K103-S106 PolarHBondContact O-OG 2.68Å; K103-D107 IonicContact NZ-OD1 2.73Å; K103-D107 PolarHBondContact NZ-OD1 2.92Å; K103-D107 IonicContact NZ-OD2 2.67Å; K103-D107 PolarHBondContact NZ-OD2 3.15Å; K103-D107 WeakPolarHBondContact O-CB 3.26Å; K103-D107 VanDerWaalsContact O-CG 3.29Å; K103-D107 PolarHBondContact O-N 3.29Å; K103-N246 WeakPolarHBondContact CE-OD1 3.31Å
104	A	96.6	Very high	95.2	Very high	7 Å²	7	28 Å²	28	6%	0.058	14%	0.138	C	C	.	.	H	α-helix	trans	-55.7	-37.9	177.3	0	0	0	0	0	112	L100 A101 L102 Y220 L222	L100-A104 PolarHBondContact O-N 2.75Å; A101-A104 WeakPolarHBondContact O-CB 3.13Å; A101-A104 PolarHBondContact O-N 3.4Å; L102-A104 VanDerWaalsContact C-N 3.32Å; L102-A104 PolarHBondContact O-N 3.4Å; A104-Y220 HydrophobicContact CB-CD1 3.84Å; A104-Y220 HydrophobicContact CB-CE1 3.94Å; A104-L222 HydrophobicContact CB-CG 4.48Å; A104-L222 VanDerWaalsContact O-CD1 3.3Å; A104-L222 WeakPolarHBondContact O-CD1 3.34Å
105	W	97.4	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-76.2	-41.5	175.6	-62.9	110.2	0	0	0	113.2	L102 K103 D107 A108 A109 V187 G191 L194 L196 I205 M206 L222 D226 I230	L102-W105 PolarHBondContact O-N 2.86Å; K103-W105 PolarHBondContact O-N 3.31Å; W105-D107 VanDerWaalsContact C-N 3.29Å; W105-D107 PolarHBondContact O-N 3.5Å; W105-A108 PolarHBondContact O-N 3.4Å; W105-A109 PolarHBondContact O-N 3.49Å; W105-A109 VanDerWaalsContact O-N 3.1Å; W105-V187 HydrophobicContact CZ2-CG1 4.18Å; W105-V187 WeakPolarHBondContact CZ2-O 3.41Å; W105-V187 PolarHBondContact NE1-O 2.87Å; W105-G191 VanDerWaalsContact CZ2-CA 3.45Å; W105-L194 HydrophobicContact CB-CD1 3.53Å; W105-L194 HydrophobicContact CD2-CD1 4.03Å; W105-L194 HydrophobicContact CG-CD1 3.5Å; W105-L194 VanDerWaalsContact CG-CD1 3.5Å; W105-L196 HydrophobicContact CE3-CD1 4.12Å; W105-L196 HydrophobicContact CH2-CD1 3.31Å; W105-L196 HydrophobicContact CZ2-CD1 4.23Å; W105-L196 HydrophobicContact CZ3-CD1 3.23Å; W105-I205 HydrophobicContact CH2-CG2 4.15Å; W105-I205 HydrophobicContact CZ2-CG2 4.11Å; W105-M206 HydrophobicContact CH2-CG 4.14Å; W105-M206 HydrophobicContact CH2-SD 3.9Å; W105-M206 HydrophobicContact CZ2-SD 3.84Å; W105-L222 HydrophobicContact CD2-CD1 3.93Å; W105-L222 HydrophobicContact CD2-CD2 4.33Å; W105-L222 HydrophobicContact CE3-CD1 3.3Å; W105-L222 HydrophobicContact CE3-CD2 4.17Å; W105-L222 HydrophobicContact CE3-CG 4.38Å; W105-L222 HydrophobicContact CH2-CD1 4.27Å; W105-L222 HydrophobicContact CH2-CD2 3.83Å; W105-L222 HydrophobicContact CZ2-CD2 4.02Å; W105-L222 HydrophobicContact CZ3-CD1 3.48Å; W105-L222 VanDerWaalsContact CZ3-CD1 3.48Å; W105-L222 HydrophobicContact CZ3-CD2 3.91Å; W105-L222 HydrophobicContact CZ3-CG 4.34Å; W105-D226 HydrophobicContact CH2-CB 4.13Å; W105-D226 HydrophobicContact CZ3-CB 4.26Å; W105-I230 HydrophobicContact CE3-CB 3.85Å; W105-I230 HydrophobicContact CE3-CD1 4.09Å; W105-I230 HydrophobicContact CE3-CG1 3.86Å; W105-I230 HydrophobicContact CE3-CG2 4.07Å; W105-I230 HydrophobicContact CZ3-CB 3.94Å; W105-I230 HydrophobicContact CZ3-CG1 4.4Å; W105-I230 HydrophobicContact CZ3-CG2 4.24Å
106	S	96.1	Very high	94.9	Very high	7 Å²	7	30.6 Å²	30.6	5%	0.049	15%	0.152	C	C	.	.	H	α-helix	trans	-70.8	-21.9	177.3	64.7	0	0	0	0	113.6	L102 K103 A108 A109 L111 R237	L102-S106 PolarHBondContact O-N 3.46Å; K103-S106 WeakPolarHBondContact CA-OG 3.45Å; K103-S106 PolarHBondContact O-N 2.98Å; K103-S106 VanDerWaalsContact O-N 3.15Å; K103-S106 PolarHBondContact O-OG 2.68Å; S106-A108 PolarHBondContact O-N 2.78Å; S106-A109 CarbonylContact C-O 3.52Å; S106-L111 WeakPolarHBondContact CB-O 3.47Å; S106-R237 VanDerWaalsContact O-CD 3.27Å; S106-R237 WeakPolarHBondContact O-CD 3.42Å; S106-R237 PolarHBondContact O-NH1 3.24Å
107	D	94.1	Very high	94.3	Very high	82 Å²	82	33.8 Å²	33.8	44%	0.439	17%	0.174	S	C	.	.	H	α-helix	trans	-68.5	-26.8	171.9	-75.5	-12.6	0	0	0	111.8	K103 W105	K103-D107 IonicContact NZ-OD1 2.73Å; K103-D107 PolarHBondContact NZ-OD1 2.92Å; K103-D107 IonicContact NZ-OD2 2.67Å; K103-D107 PolarHBondContact NZ-OD2 3.15Å; K103-D107 WeakPolarHBondContact O-CB 3.26Å; K103-D107 VanDerWaalsContact O-CG 3.29Å; K103-D107 PolarHBondContact O-N 3.29Å; W105-D107 VanDerWaalsContact C-N 3.29Å; W105-D107 PolarHBondContact O-N 3.5Å
108	A	92.6	Very high	92.7	Very high	9 Å²	9	35.9 Å²	35.9	7%	0.074	20%	0.195	C	C	.	.	H	α-helix	trans	-95.2	-30.1	-177.7	0	0	0	0	0	114.2	W105 S106 L222 R227 I230 Q231 R237	W105-A108 PolarHBondContact O-N 3.4Å; S106-A108 PolarHBondContact O-N 2.78Å; A108-L222 HydrophobicContact CB-CD1 3.87Å; A108-R227 HydrophobicContact CB-CG 4Å; A108-I230 HydrophobicContact CB-CG2 3.88Å; A108-Q231 WeakPolarHBondContact O-CG 3.33Å; A108-Q231 PolarHBondContact O-NE2 2.96Å; A108-R237 PolarHBondContact O-N 3.11Å
109	A	92.8	Very high	90.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-130.4	158.2	-173.1	0	0	0	0	0	111.4	W105 S106 L111 I230 R237	W105-A109 PolarHBondContact O-N 3.49Å; W105-A109 VanDerWaalsContact O-N 3.1Å; S106-A109 CarbonylContact C-O 3.52Å; A109-L111 HydrophobicContact CB-CD1 4.17Å; A109-L111 HydrophobicContact CB-CG 4.24Å; A109-L111 PolarHBondContact O-N 3.1Å; A109-I230 HydrophobicContact CB-CG1 3.86Å; A109-I230 HydrophobicContact CB-CG2 4.26Å; A109-R237 PolarHBondContact O-NH1 3.24Å
110	P	94	Very high	88.5	Confident	40 Å²	40	44 Å²	44	26%	0.26	25%	0.252	S	S	.	.	S	Bend	trans	-76.6	52	-179.5	34.7	-37.9	0	0	0	112	T74 Y234 G235	T74-P110 WeakPolarHBondContact CB-O 3.14Å; T74-P110 VanDerWaalsContact CG2-O 3.31Å; T74-P110 WeakPolarHBondContact CG2-O 3.47Å; P110-Y234 WeakPolarHBondContact CD-O 3.42Å; P110-Y234 WeakPolarHBondContact CG-O 3.47Å; P110-G235 WeakPolarHBondContact CD-O 3.21Å
111	L	94.8	Very high	86.3	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.289	C	S	.	.			trans	-100.7	145.2	175.6	-65.2	168.7	0	0	0	109.5	T74 L76 S106 A109 F113 L194 I230 Y234 R237	T74-L111 HydrophobicContact CG2-CD2 4.4Å; T74-L111 WeakPolarHBondContact O-CA 3.27Å; L76-L111 HydrophobicContact CD1-CD2 4.32Å; S106-L111 WeakPolarHBondContact CB-O 3.47Å; A109-L111 HydrophobicContact CB-CD1 4.17Å; A109-L111 HydrophobicContact CB-CG 4.24Å; A109-L111 PolarHBondContact O-N 3.1Å; L111-F113 HydrophobicContact CB-CE2 3.98Å; L111-F113 HydrophobicContact CB-CZ 4Å; L111-F113 HydrophobicContact CD1-CZ 4.16Å; L111-L194 HydrophobicContact CD1-CD1 3.99Å; L111-L194 HydrophobicContact CD1-CD2 3.84Å; L111-L194 HydrophobicContact CD1-CG 4.47Å; L111-I230 HydrophobicContact CD1-CD1 4.37Å; L111-I230 HydrophobicContact CD1-CG1 4.45Å; L111-Y234 HydrophobicContact CD1-CD2 4.02Å; L111-Y234 HydrophobicContact CD1-CE2 4.26Å; L111-Y234 HydrophobicContact CD1-CG 4.29Å; L111-Y234 HydrophobicContact CD2-CD1 3.72Å; L111-Y234 HydrophobicContact CD2-CD2 4.41Å; L111-Y234 HydrophobicContact CD2-CE1 3.93Å; L111-Y234 HydrophobicContact CD2-CG 3.98Å; L111-Y234 HydrophobicContact CG-CD1 4.48Å; L111-Y234 HydrophobicContact CG-CD2 4.47Å; L111-Y234 HydrophobicContact CG-CG 4.25Å; L111-R237 PolarHBondContact O-NH1 2.9Å; L111-R237 VanDerWaalsContact O-NH1 3.11Å
112	N	93.7	Very high	84.3	Confident	43 Å²	43	53 Å²	53	23%	0.23	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.5	173.4	-58.2	-52.3	0	0	0	109	T74 D75 L76 R237	T74-N112 PolarHBondContact O-N 2.82Å; D75-N112 VanDerWaalsContact OD1-CB 3.31Å; D75-N112 WeakPolarHBondContact OD1-CB 3.3Å; D75-N112 PolarHBondContact OD1-ND2 3.26Å; L76-N112 PolarHBondContact N-O 3.36Å; N112-R237 PolarHBondContact OD1-NH2 3.43Å
113	F	95.9	Very high	83	Confident	37 Å²	37	54.9 Å²	54.9	16%	0.162	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125	-178	-60.7	-76.4	0	0	0	110.3	L76 L102 L111 I126 L194	L76-F113 HydrophobicContact CB-CD1 3.86Å; L76-F113 HydrophobicContact CB-CE1 3.98Å; L76-F113 HydrophobicContact CD1-CD1 4.45Å; L76-F113 HydrophobicContact CD1-CE1 3.72Å; L76-F113 HydrophobicContact CD1-CZ 4.46Å; L76-F113 HydrophobicContact CG-CE1 4.41Å; L76-F113 CarbonylContact O-C 3.55Å; L76-F113 VanDerWaalsContact O-CA 3.31Å; L76-F113 WeakPolarHBondContact O-CA 3.47Å; L102-F113 HydrophobicContact CB-CB 4.37Å; L102-F113 HydrophobicContact CB-CD1 4.42Å; L102-F113 HydrophobicContact CB-CD2 3.75Å; L102-F113 HydrophobicContact CB-CE2 4.08Å; L102-F113 HydrophobicContact CB-CG 3.93Å; L102-F113 HydrophobicContact CD1-CB 4.24Å; L102-F113 HydrophobicContact CD1-CD1 4.26Å; L102-F113 HydrophobicContact CD1-CG 4.22Å; L102-F113 HydrophobicContact CD2-CD1 3.87Å; L102-F113 HydrophobicContact CD2-CD2 4.49Å; L102-F113 HydrophobicContact CD2-CE1 3.73Å; L102-F113 HydrophobicContact CD2-CE2 4.37Å; L102-F113 HydrophobicContact CD2-CG 4.25Å; L102-F113 HydrophobicContact CD2-CZ 4Å; L102-F113 HydrophobicContact CG-CD1 4.41Å; L102-F113 HydrophobicContact CG-CG 4.36Å; L102-F113 WeakPolarHBondContact O-CE2 3.34Å; L111-F113 HydrophobicContact CB-CE2 3.98Å; L111-F113 HydrophobicContact CB-CZ 4Å; L111-F113 HydrophobicContact CD1-CZ 4.16Å; F113-I126 HydrophobicContact CE1-CD1 4.22Å; F113-L194 HydrophobicContact CE1-CD2 4.02Å; F113-L194 HydrophobicContact CZ-CD1 4.06Å; F113-L194 HydrophobicContact CZ-CD2 3.9Å
114	R	93.6	Very high	82.4	Confident	169 Å²	169	53.8 Å²	53.8	64%	0.638	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.2	175.6	-172.5	-179.4	71.3	178.6	1.2	110.4	L76 T77 W78	L76-R114 PolarHBondContact O-N 2.93Å; T77-R114 VanDerWaalsContact CA-O 3.28Å; T77-R114 WeakPolarHBondContact CA-O 3.44Å; T77-R114 HydrophobicContact CG2-CB 4.49Å; W78-R114 PolarHBondContact N-O 3.14Å
115	Q	92.3	Very high	82.1	Confident	84 Å²	84	54.5 Å²	54.5	39%	0.393	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	134.7	175.2	-165.2	174.9	23	0	0	110.6	W78	W78-Q115 HydrophobicContact CD2-CB 4.29Å; W78-Q115 HydrophobicContact CD2-CG 4.07Å; W78-Q115 HydrophobicContact CE3-CG 4.3Å; W78-Q115 HydrophobicContact CH2-CB 4.48Å; W78-Q115 VanDerWaalsContact CH2-CD 3.47Å; W78-Q115 HydrophobicContact CH2-CG 3.94Å; W78-Q115 HydrophobicContact CZ2-CB 3.7Å; W78-Q115 HydrophobicContact CZ2-CG 3.65Å; W78-Q115 HydrophobicContact CZ3-CG 4.26Å; W78-Q115 CarbonylContact O-C 3.41Å; W78-Q115 VanDerWaalsContact O-CA 3.32Å; W78-Q115 WeakPolarHBondContact O-CA 3.41Å
116	L	89.3	Confident	82	Confident	42 Å²	42	54.5 Å²	54.5	22%	0.22	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-100.6	153.8	170.9	-61.8	178	0	0	0	110.5	T77 W78 G123	T77-L116 HydrophobicContact CG2-CD1 4.16Å; T77-L116 HydrophobicContact CG2-CD2 4.37Å; T77-L116 HydrophobicContact CG2-CG 4.31Å; W78-L116 PolarHBondContact O-N 3.24Å; L116-G123 WeakPolarHBondContact CD1-O 3.44Å
117	P	81	Confident	81.9	Confident	90 Å²	90	56.3 Å²	56.3	58%	0.584	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-55.6	142.9	170.3	-23.1	34.9	0	0	0	111.3	D119 A122	P117-D119 WeakPolarHBondContact CB-OD1 3.2Å; P117-A122 WeakPolarHBondContact O-CB 3.27Å
118	G	62.7	Low	82	Confident	44 Å²	44	52.4 Å²	52.4	45%	0.454	31%	0.308	S	S	.	.			trans	-96	25.1	-173.7	0	0	0	0	0	114.6	G120	G118-G120 PolarHBondContact O-N 2.89Å; G118-G120 VanDerWaalsContact O-N 3.09Å
119	D	56.4	Low	82.1	Confident	121 Å²	121	53.1 Å²	53.1	65%	0.647	31%	0.312	S	S	*	.	S	Bend	trans	-83.1	76.3	-178.1	51.3	-27.2	0	0	0	111.5	P117 E121	P117-D119 WeakPolarHBondContact CB-OD1 3.2Å; D119-E121 PolarHBondContact O-N 2.97Å
120	G	49.3	Very low	82.2	Confident	70 Å²	70	53.7 Å²	53.7	72%	0.722	32%	0.315	S	S	*	.	S	Bend	trans	62.3	-35.7	154.3	0	0	0	0	0	119.8	G118	G118-G120 PolarHBondContact O-N 2.89Å; G118-G120 VanDerWaalsContact O-N 3.09Å
121	E	48.9	Very low	82	Confident	194 Å²	194	52.4 Å²	52.4	91%	0.907	31%	0.308	S	S	*	.	S	Bend	trans	-111.7	-5.1	178.3	-65	-156.2	162.7	0	0	112.9	D119 G123	D119-E121 PolarHBondContact O-N 2.97Å; E121-G123 PolarHBondContact O-N 2.79Å; E121-G123 VanDerWaalsContact O-N 3.14Å
122	A	56.1	Low	81.6	Confident	21 Å²	21	54.3 Å²	54.3	17%	0.174	32%	0.321	C	S	.	.			trans	-69	113.4	179.8	0	0	0	0	0	110.7	H81 P117	H81-A122 PolarHBondContact CE1-O 2.96Å; H81-A122 PolarHBondContact NE2-O 2.74Å; P117-A122 WeakPolarHBondContact O-CB 3.27Å
123	G	70.1	Confident	81.2	Confident	43 Å²	43	54.7 Å²	54.7	44%	0.443	32%	0.323	S	S	.	.			trans	-67.3	-176.9	164.4	0	0	0	0	0	111.7	L116 E121	L116-G123 WeakPolarHBondContact CD1-O 3.44Å; E121-G123 PolarHBondContact O-N 2.79Å; E121-G123 VanDerWaalsContact O-N 3.14Å
124	G	81.9	Confident	80.2	Confident	26 Å²	26	58.5 Å²	58.5	27%	0.268	34%	0.344	S	S	.	.			trans	174.1	159.2	177.7	0	0	0	0	0	109	I126	G124-I126 VanDerWaalsContact C-N 3.27Å
125	D	91.3	Very high	79.4	Confident	23 Å²	23	51.8 Å²	51.8	12%	0.123	32%	0.32	C	S	.	.	S	Bend	trans	-73.6	-26.3	174.3	-57.8	-62.5	0	0	0	111.8	W71 K73 L76 T77	W71-D125 HydrophobicContact CH2-CB 4.29Å; W71-D125 HydrophobicContact CZ2-CB 4.36Å; W71-D125 WeakPolarHBondContact CZ2-O 3.44Å; K73-D125 VanDerWaalsContact CE-CG 3.46Å; K73-D125 WeakPolarHBondContact CE-OD1 3.24Å; K73-D125 WeakPolarHBondContact CE-OD2 3.24Å; K73-D125 IonicContact NZ-OD1 3.71Å; K73-D125 PolarHBondContact NZ-OD1 2.81Å; K73-D125 IonicContact NZ-OD2 2.62Å; K73-D125 PolarHBondContact NZ-OD2 2.83Å; L76-D125 HydrophobicContact CB-CB 4.43Å; L76-D125 HydrophobicContact CD2-CB 4.13Å; T77-D125 PolarHBondContact N-OD2 2.98Å; T77-D125 WeakPolarHBondContact O-CA 3.44Å; T77-D125 WeakPolarHBondContact O-CB 3.45Å; T77-D125 PolarHBondContact O-N 3.07Å; T77-D125 PolarHBondContact OG1-N 2.96Å; T77-D125 PolarHBondContact OG1-OD2 2.93Å
126	I	94.8	Very high	78.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	103.5	177.7	-61	174.9	0	0	0	107.6	T77 W78 S79 L102 F113 G124 V128 G161 F190 A193	T77-I126 PolarHBondContact O-N 2.85Å; W78-I126 WeakPolarHBondContact CA-O 3.37Å; W78-I126 HydrophobicContact CB-CB 4.03Å; W78-I126 HydrophobicContact CB-CG2 4.48Å; W78-I126 WeakPolarHBondContact CB-O 3.42Å; S79-I126 PolarHBondContact N-O 2.83Å; S79-I126 VanDerWaalsContact N-O 3.11Å; L102-I126 HydrophobicContact CD2-CD1 4.19Å; F113-I126 HydrophobicContact CE1-CD1 4.22Å; G124-I126 VanDerWaalsContact C-N 3.27Å; I126-V128 HydrophobicContact CG2-CG2 4.38Å; I126-G161 WeakPolarHBondContact CG2-O 3.32Å; I126-F190 HydrophobicContact CG2-CD1 4.06Å; I126-F190 HydrophobicContact CG2-CE1 3.69Å; I126-A193 HydrophobicContact CD1-CB 4.22Å; I126-A193 HydrophobicContact CG1-CB 4.37Å
127	R	93.7	Very high	77.3	Confident	45 Å²	45	55 Å²	55	17%	0.17	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126	173.6	-53.7	178.4	-69.6	-161.4	-2.3	109.5	E158 D162 T163	R127-E158 IonicContact CZ-OE1 3.77Å; R127-E158 IonicContact NH1-OE1 2.8Å; R127-E158 PolarHBondContact NH1-OE1 3.35Å; R127-E158 PolarHBondContact NH2-O 2.81Å; R127-E158 IonicContact NH2-OE1 2.85Å; R127-D162 WeakPolarHBondContact CB-OD1 3.39Å; R127-D162 WeakPolarHBondContact CG-OD1 3.31Å; R127-D162 IonicContact CZ-OD1 2.89Å; R127-D162 IonicContact CZ-OD2 3.89Å; R127-D162 VanDerWaalsContact CZ-OD2 3.26Å; R127-D162 PolarHBondContact N-OD1 2.84Å; R127-D162 IonicContact NE-OD1 3.68Å; R127-D162 PolarHBondContact NE-OD1 2.85Å; R127-D162 IonicContact NE-OD2 3.84Å; R127-D162 PolarHBondContact NE-OD2 3.43Å; R127-D162 VanDerWaalsContact NE-OD2 3.07Å; R127-D162 IonicContact NH2-OD1 3.75Å; R127-D162 IonicContact NH2-OD2 2.87Å; R127-D162 PolarHBondContact NH2-OD2 3.14Å; R127-D162 WeakPolarHBondContact O-CA 3.48Å; R127-T163 PolarHBondContact O-N 3.41Å
128	V	96.2	Very high	76.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.3	178.8	177.3	0	0	0	0	110.1	S79 V80 H81 L98 I126 F130 T163 F165 F190	S79-V128 PolarHBondContact O-N 2.78Å; V80-V128 HydrophobicContact CG2-CB 4.48Å; H81-V128 PolarHBondContact N-O 3.13Å; L98-V128 HydrophobicContact CD1-CB 4.27Å; L98-V128 HydrophobicContact CD1-CG1 3.76Å; L98-V128 HydrophobicContact CD1-CG2 4.33Å; L98-V128 HydrophobicContact CD2-CG1 4.38Å; I126-V128 HydrophobicContact CG2-CG2 4.38Å; V128-F130 HydrophobicContact CG1-CE2 4.38Å; V128-T163 WeakPolarHBondContact CA-O 3.16Å; V128-F165 HydrophobicContact CG1-CD2 3.88Å; V128-F165 HydrophobicContact CG1-CE2 3.59Å; V128-F190 HydrophobicContact CG2-CE1 3.83Å; V128-F190 HydrophobicContact CG2-CZ 3.86Å
129	S	94.8	Very high	76.5	Confident	23 Å²	23	57.4 Å²	57.4	16%	0.161	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.1	172.2	74.2	0	0	0	0	112.5	S82 T163 H164 F165	S82-S129 WeakPolarHBondContact OG-CA 3.29Å; S129-T163 PolarHBondContact N-O 2.93Å; S129-H164 CarbonylContact O-C 3.51Å; S129-H164 WeakPolarHBondContact O-CA 3.16Å; S129-H164 PolarHBondContact OG-CD2 3.35Å; S129-F165 PolarHBondContact O-N 3.1Å
130	F	95.4	Very high	77.4	Confident	12 Å²	12	55.4 Å²	55.4	5%	0.053	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.9	166	-66.2	-100.1	0	0	0	107.4	S82 P84 V94 V128 F165 D167 W171 L182	S82-F130 VanDerWaalsContact O-CD2 3.25Å; S82-F130 WeakPolarHBondContact O-CD2 3.41Å; S82-F130 PolarHBondContact OG-N 3.47Å; S82-F130 PolarHBondContact OG-O 2.79Å; P84-F130 HydrophobicContact CB-CD1 3.64Å; P84-F130 HydrophobicContact CB-CE1 3.83Å; P84-F130 HydrophobicContact CB-CG 4.2Å; P84-F130 HydrophobicContact CG-CD1 4.16Å; P84-F130 HydrophobicContact CG-CE1 3.93Å; P84-F130 HydrophobicContact CG-CZ 4.2Å; V94-F130 HydrophobicContact CG1-CE2 3.91Å; V94-F130 HydrophobicContact CG1-CZ 4Å; V128-F130 HydrophobicContact CG1-CE2 4.38Å; F130-F165 WeakPolarHBondContact CA-O 3.39Å; F130-F165 HydrophobicContact CD1-CB 3.66Å; F130-F165 HydrophobicContact CD1-CG 4.46Å; F130-F165 HydrophobicContact CE1-CB 3.73Å; F130-F165 HydrophobicContact CE1-CD2 4.47Å; F130-F165 HydrophobicContact CE1-CG 4.09Å; F130-F165 HydrophobicContact CG-CB 4.27Å; F130-F165 HydrophobicContact CZ-CB 4.37Å; F130-F165 HydrophobicContact CZ-CD2 4.29Å; F130-F165 HydrophobicContact CZ-CG 4.33Å; F130-D167 HydrophobicContact CB-CB 4.23Å; F130-W171 AromaticContact CD1-NE1 3.79Å; F130-W171 AromaticContact CE1-CD1 3.88Å; F130-W171 HydrophobicContact CE1-CD2 4.37Å; F130-W171 HydrophobicContact CE1-CG 4.2Å; F130-W171 AromaticContact CE1-NE1 3.84Å; F130-L182 HydrophobicContact CE1-CD1 4Å; F130-L182 HydrophobicContact CE1-CD2 4.49Å; F130-L182 HydrophobicContact CZ-CD1 3.92Å; F130-L182 HydrophobicContact CZ-CD2 4.03Å
131	A	89.4	Confident	79	Confident	14 Å²	14	52.4 Å²	52.4	12%	0.116	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	157.3	-171.5	0	0	0	0	0	111	H135 F141 F165 D166 D167	A131-H135 HydrophobicContact CB-CB 3.54Å; A131-F141 HydrophobicContact CB-CE2 4.31Å; A131-F141 WeakPolarHBondContact O-CD2 3.32Å; A131-F165 PolarHBondContact N-O 3.38Å; A131-D166 CarbonylContact O-C 3.53Å; A131-D166 WeakPolarHBondContact O-CA 3.12Å; A131-D167 PolarHBondContact O-N 2.79Å
132	S	87.6	Confident	80.5	Confident	40 Å²	40	46.8 Å²	46.8	28%	0.28	28%	0.28	S	S	.	.			trans	-120.8	128.9	-173.3	-91.6	0	0	0	0	110.4	L134 H168	S132-L134 PolarHBondContact O-N 3.36Å; S132-H168 VanDerWaalsContact CB-CE1 3.49Å; S132-H168 WeakPolarHBondContact CB-CE1 3.44Å; S132-H168 PolarHBondContact OG-CE1 3.33Å; S132-H168 PolarHBondContact OG-ND1 2.72Å
133	L	84.2	Confident	81.8	Confident	51 Å²	51	46.1 Å²	46.1	27%	0.267	28%	0.275	S	S	.	.	S	Bend	trans	51.4	-124.3	175.5	-54.7	174.7	0	0	0	111.7	H135 P140 F141 R307	L133-H135 PolarHBondContact O-N 2.82Å; L133-H135 PolarHBondContact O-ND1 2.86Å; L133-P140 WeakPolarHBondContact O-CA 3.24Å; L133-F141 PolarHBondContact O-N 3.13Å; L133-R307 VanDerWaalsContact CD1-NH2 3.27Å
134	L	75.6	Confident	82.6	Confident	116 Å²	116	50.8 Å²	50.8	61%	0.607	29%	0.285	S	S	*	.			trans	-74.8	119.2	176	-176	67.6	0	0	0	110.8	S132 P140	S132-L134 PolarHBondContact O-N 3.36Å; L134-P140 HydrophobicContact CB-CB 4.31Å; L134-P140 HydrophobicContact CD1-CB 4.12Å
135	H	76.7	Confident	82.7	Confident	29 Å²	29	50.7 Å²	50.7	13%	0.134	29%	0.285	C	S	.	.			trans	-133.5	43.2	-173.6	57.9	-81.6	0	0	0	113.9	A131 L133 D137 Y139 F141 H150 H164	A131-H135 HydrophobicContact CB-CB 3.54Å; L133-H135 PolarHBondContact O-N 2.82Å; L133-H135 PolarHBondContact O-ND1 2.86Å; H135-D137 VanDerWaalsContact C-N 3.29Å; H135-D137 IonicContact CD2-OD1 2.65Å; H135-D137 IonicContact CD2-OD2 3.91Å; H135-D137 PolarHBondContact CD2-OD2 3.06Å; H135-D137 IonicContact CE1-OD1 3.26Å; H135-D137 IonicContact CE1-OD2 2.82Å; H135-D137 IonicContact NE2-OD1 3.07Å; H135-D137 IonicContact NE2-OD2 3.27Å; H135-D137 PolarHBondContact NE2-OD2 2.95Å; H135-D137 PolarHBondContact O-N 2.83Å; H135-Y139 PolarHBondContact CE1-O 3.4Å; H135-F141 AromaticContact CE1-CD2 3.47Å; H135-F141 VanDerWaalsContact CE1-CD2 3.47Å; H135-F141 WeakPolarHBondContact CE1-CD2 3.32Å; H135-F141 AromaticContact CE1-CE2 3.31Å; H135-F141 WeakPolarHBondContact CE1-CE2 3.44Å; H135-F141 AromaticContact CE1-CG 3.93Å; H135-F141 AromaticContact CE1-CZ 3.64Å; H135-F141 AromaticContact ND1-CD2 3.76Å; H135-F141 AromaticContact ND1-CE2 3.91Å; H135-F141 AromaticContact NE2-CE2 3.69Å; H135-F141 AromaticContact NE2-CZ 3.85Å; H135-H150 AromaticContact CE1-CE1 3.65Å; H135-H150 AromaticContact NE2-CE1 3.47Å; H135-H150 PolarHBondContact NE2-CE1 2.93Å; H135-H150 AromaticContact NE2-NE2 3.44Å; H135-H150 PolarHBondContact NE2-NE2 3.37Å; H135-H164 AromaticContact CD2-CE1 3.86Å; H135-H164 AromaticContact CD2-CG 3.89Å; H135-H164 AromaticContact CD2-ND1 3.22Å; H135-H164 PolarHBondContact CD2-ND1 2.88Å; H135-H164 AromaticContact NE2-CG 3.65Å; H135-H164 AromaticContact NE2-ND1 3.07Å; H135-H164 PolarHBondContact NE2-ND1 3.35Å
136	N	71.4	Confident	82.6	Confident	164 Å²	164	50.9 Å²	50.9	88%	0.877	29%	0.292	S	S	*	.	S	Bend	trans	64	16	167.5	-63.8	-19.9	0	0	0	117.5
137	D	66.6	Low	82.4	Confident	30 Å²	30	51.1 Å²	51.1	16%	0.16	29%	0.294	C	S	.	.	S	Bend	trans	-115.6	-0.2	177.8	68.3	-5.1	0	0	0	113.8	H135 Y139 H150 F152 H164	H135-D137 VanDerWaalsContact C-N 3.29Å; H135-D137 IonicContact CD2-OD1 2.65Å; H135-D137 IonicContact CD2-OD2 3.91Å; H135-D137 PolarHBondContact CD2-OD2 3.06Å; H135-D137 IonicContact CE1-OD1 3.26Å; H135-D137 IonicContact CE1-OD2 2.82Å; H135-D137 IonicContact NE2-OD1 3.07Å; H135-D137 IonicContact NE2-OD2 3.27Å; H135-D137 PolarHBondContact NE2-OD2 2.95Å; H135-D137 PolarHBondContact O-N 2.83Å; D137-Y139 VanDerWaalsContact C-N 3.32Å; D137-Y139 WeakPolarHBondContact O-CD2 3.07Å; D137-Y139 PolarHBondContact OD1-N 2.74Å; D137-H150 IonicContact OD2-CE1 3.45Å; D137-H150 PolarHBondContact OD2-CE1 2.94Å; D137-H150 IonicContact OD2-NE2 2.8Å; D137-H150 PolarHBondContact OD2-NE2 3.33Å; D137-F152 HydrophobicContact CB-CE2 4.08Å; D137-F152 HydrophobicContact CB-CZ 3.82Å; D137-H164 IonicContact OD2-CE1 3.8Å; D137-H164 PolarHBondContact OD2-CE1 3.04Å; D137-H164 VanDerWaalsContact OD2-CE1 3.27Å; D137-H164 IonicContact OD2-ND1 3.68Å; D137-H164 PolarHBondContact OD2-ND1 3.03Å
138	G	62	Low	82.5	Confident	60 Å²	60	49.1 Å²	49.1	62%	0.619	29%	0.286	S	S	*	.	S	Bend	trans	83.5	-0.7	-179.2	0	0	0	0	0	115	P140	G138-P140 WeakPolarHBondContact O-CD 3.45Å
139	Y	64.9	Low	82.5	Confident	124 Å²	124	49.1 Å²	49.1	49%	0.486	29%	0.286	S	S	.	.			trans	-120	81	179.9	-68.9	-87.3	0	0	0	110.4	H135 D137 H150 F152	H135-Y139 PolarHBondContact CE1-O 3.4Å; D137-Y139 VanDerWaalsContact C-N 3.32Å; D137-Y139 WeakPolarHBondContact O-CD2 3.07Å; D137-Y139 PolarHBondContact OD1-N 2.74Å; Y139-H150 WeakPolarHBondContact CB-CE1 3.4Å; Y139-H150 PolarHBondContact O-CE1 2.85Å; Y139-H150 VanDerWaalsContact O-CE1 3.25Å; Y139-F152 AromaticContact CD2-CE1 3.95Å; Y139-F152 HydrophobicContact CD2-CE1 3.95Å; Y139-F152 AromaticContact CD2-CZ 3.99Å; Y139-F152 HydrophobicContact CD2-CZ 3.99Å; Y139-F152 AromaticContact CE2-CE1 3.93Å; Y139-F152 HydrophobicContact CE2-CE1 3.93Å; Y139-F152 HydrophobicContact CE2-CZ 4.43Å
140	P	73.9	Confident	82.4	Confident	78 Å²	78	48.1 Å²	48.1	51%	0.506	28%	0.279	S	S	.	.			trans	-70.3	141.6	-176.6	29.4	-34.8	0	0	0	112.3	L133 L134 G138	L133-P140 WeakPolarHBondContact O-CA 3.24Å; L134-P140 HydrophobicContact CB-CB 4.31Å; L134-P140 HydrophobicContact CD1-CB 4.12Å; G138-P140 WeakPolarHBondContact O-CD 3.45Å
141	F	84.2	Confident	82.2	Confident	8 Å²	8	47.6 Å²	47.6	4%	0.035	28%	0.277	C	S	.	.			trans	-74.2	161.3	166.5	-61	-49.2	0	0	0	112.3	A131 L133 H135 T147 H150 H164 D166	A131-F141 HydrophobicContact CB-CE2 4.31Å; A131-F141 WeakPolarHBondContact O-CD2 3.32Å; L133-F141 PolarHBondContact O-N 3.13Å; H135-F141 AromaticContact CE1-CD2 3.47Å; H135-F141 VanDerWaalsContact CE1-CD2 3.47Å; H135-F141 WeakPolarHBondContact CE1-CD2 3.32Å; H135-F141 AromaticContact CE1-CE2 3.31Å; H135-F141 WeakPolarHBondContact CE1-CE2 3.44Å; H135-F141 AromaticContact CE1-CG 3.93Å; H135-F141 AromaticContact CE1-CZ 3.64Å; H135-F141 AromaticContact ND1-CD2 3.76Å; H135-F141 AromaticContact ND1-CE2 3.91Å; H135-F141 AromaticContact NE2-CE2 3.69Å; H135-F141 AromaticContact NE2-CZ 3.85Å; F141-T147 HydrophobicContact CD1-CG2 3.79Å; F141-T147 HydrophobicContact CE1-CG2 4.21Å; F141-H150 AromaticContact CE1-CE1 3.87Å; F141-H150 AromaticContact CE1-ND1 3.62Å; F141-H164 HydrophobicContact CE2-CB 4.17Å; F141-H164 HydrophobicContact CZ-CB 3.74Å; F141-H164 WeakPolarHBondContact CZ-O 3.27Å; F141-D166 HydrophobicContact CB-CB 4.03Å; F141-D166 WeakPolarHBondContact CB-OD2 3.43Å; F141-D166 HydrophobicContact CD1-CB 4.14Å; F141-D166 HydrophobicContact CD2-CB 3.62Å; F141-D166 HydrophobicContact CE2-CB 4.05Å; F141-D166 HydrophobicContact CG-CB 3.68Å; F141-D166 HydrophobicContact CZ-CB 4.5Å
142	D	79.3	Confident	82	Confident	75 Å²	75	48.7 Å²	48.7	40%	0.401	28%	0.279	S	S	.	.			trans	-104.3	-0.1	-175.4	50.7	5.8	0	0	0	114.5	R5 T147	R5-D142 IonicContact NH1-OD2 3.38Å; D142-T147 WeakPolarHBondContact OD1-CA 3.45Å; D142-T147 WeakPolarHBondContact OD1-CB 3.48Å; D142-T147 PolarHBondContact OD1-N 3.41Å; D142-T147 PolarHBondContact OD1-OG1 3.18Å; D142-T147 PolarHBondContact OD2-N 3.41Å; D142-T147 PolarHBondContact OD2-OG1 2.94Å
143	G	84.7	Confident	81.9	Confident	7 Å²	7	48.2 Å²	48.2	7%	0.072	27%	0.272	C	S	.	.	S	Bend	trans	100.5	-151.9	178	0	0	0	0	0	111.4	G145 D166 H168	G143-G145 PolarHBondContact O-N 2.96Å; G143-D166 WeakPolarHBondContact CA-OD2 3.37Å; G143-D166 PolarHBondContact N-OD2 3.36Å; G143-H168 VanDerWaalsContact C-CB 3.47Å
144	Q	86.5	Confident	82	Confident	141 Å²	141	45.9 Å²	45.9	66%	0.659	26%	0.26	S	S	*	.	S	Bend	trans	-72.2	127.7	-176.4	-172.8	178.7	12.2	0	0	111.4
145	G	83.1	Confident	82.3	Confident	25 Å²	25	42 Å²	42	26%	0.258	25%	0.249	S	C	.	.	S	Bend	trans	75.4	172.7	-172.5	0	0	0	0	0	112.2	G143 T147 E169	G143-G145 PolarHBondContact O-N 2.96Å; G145-T147 PolarHBondContact O-N 3.35Å; G145-E169 WeakPolarHBondContact CA-OE1 3.43Å; G145-E169 PolarHBondContact N-OE1 3.21Å
146	G	89.4	Confident	82.1	Confident	27 Å²	27	49.9 Å²	49.9	28%	0.278	29%	0.287	S	S	.	.	S	Bend	trans	81.2	-98.3	-179.3	0	0	0	0	0	111.4	P55 R56	P55-G146 CarbonylContact C-O 3.53Å; P55-G146 VanDerWaalsContact CA-O 3.24Å; P55-G146 WeakPolarHBondContact CA-O 3.42Å; R56-G146 PolarHBondContact N-O 3.01Å
147	T	90.9	Very high	82.3	Confident	4 Å²	4	48 Å²	48	3%	0.025	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-94.6	113.7	-176.4	-54.1	0	0	0	0	111	R56 F141 D142 G145	R56-T147 WeakPolarHBondContact O-CA 3.31Å; F141-T147 HydrophobicContact CD1-CG2 3.79Å; F141-T147 HydrophobicContact CE1-CG2 4.21Å; D142-T147 WeakPolarHBondContact OD1-CA 3.45Å; D142-T147 WeakPolarHBondContact OD1-CB 3.48Å; D142-T147 PolarHBondContact OD1-N 3.41Å; D142-T147 PolarHBondContact OD1-OG1 3.18Å; D142-T147 PolarHBondContact OD2-N 3.41Å; D142-T147 PolarHBondContact OD2-OG1 2.94Å; G145-T147 PolarHBondContact O-N 3.35Å
148	L	95.4	Very high	82.7	Confident	4 Å²	4	54 Å²	54	2%	0.021	30%	0.304	C	S	.	.			trans	-84.1	-41.5	-175	-61.5	-177.9	0	0	0	113.4	P55 R56 D166 E169 W171 T180 V185 Y210	P55-L148 HydrophobicContact CB-CD1 3.92Å; P55-L148 HydrophobicContact CB-CD2 3.7Å; P55-L148 HydrophobicContact CB-CG 3.83Å; R56-L148 PolarHBondContact O-N 2.98Å; L148-D166 PolarHBondContact O-N 3.14Å; L148-E169 VanDerWaalsContact CD2-CD 3.41Å; L148-E169 HydrophobicContact CD2-CG 3.82Å; L148-E169 WeakPolarHBondContact CD2-OE1 3.5Å; L148-W171 HydrophobicContact CB-CH2 4.4Å; L148-W171 WeakPolarHBondContact O-CZ2 3.46Å; L148-T180 HydrophobicContact CD1-CG2 3.86Å; L148-T180 HydrophobicContact CD2-CG2 3.9Å; L148-T180 HydrophobicContact CG-CG2 4.41Å; L148-V185 HydrophobicContact CB-CG1 4.4Å; L148-V185 HydrophobicContact CD1-CG2 3.93Å; L148-Y210 HydrophobicContact CD1-CD1 4.36Å; L148-Y210 HydrophobicContact CD1-CD2 3.94Å; L148-Y210 HydrophobicContact CD1-CG 3.71Å
149	A	96.1	Very high	83.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	172.6	-173	0	0	0	0	0	110.5	S58 H164 F165 V185 E189	S58-A149 PolarHBondContact N-O 2.76Å; S58-A149 VanDerWaalsContact N-O 3.07Å; A149-H164 CarbonylContact C-O 3.59Å; A149-H164 WeakPolarHBondContact CA-O 3.47Å; A149-H164 WeakPolarHBondContact CB-O 3.09Å; A149-F165 HydrophobicContact CB-CD1 3.93Å; A149-F165 HydrophobicContact CB-CE1 4.41Å; A149-F165 HydrophobicContact CB-CG 4.43Å; A149-V185 HydrophobicContact CB-CG1 3.6Å; A149-E189 HydrophobicContact CB-CG 3.59Å; A149-E189 WeakPolarHBondContact CB-OE1 3.32Å
150	H	92.4	Very high	84.4	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	162.5	161.2	58.7	-129.7	0	0	0	111.7	S58 L59 H135 D137 Y139 F141 H164 E189	S58-H150 WeakPolarHBondContact OG-CB 3.45Å; S58-H150 PolarHBondContact OG-ND1 2.87Å; S58-H150 VanDerWaalsContact OG-ND1 3.11Å; L59-H150 HydrophobicContact CD2-CB 4.38Å; L59-H150 HydrophobicContact CG-CB 4.36Å; H135-H150 AromaticContact CE1-CE1 3.65Å; H135-H150 AromaticContact NE2-CE1 3.47Å; H135-H150 PolarHBondContact NE2-CE1 2.93Å; H135-H150 AromaticContact NE2-NE2 3.44Å; H135-H150 PolarHBondContact NE2-NE2 3.37Å; D137-H150 IonicContact OD2-CE1 3.45Å; D137-H150 PolarHBondContact OD2-CE1 2.94Å; D137-H150 IonicContact OD2-NE2 2.8Å; D137-H150 PolarHBondContact OD2-NE2 3.33Å; Y139-H150 WeakPolarHBondContact CB-CE1 3.4Å; Y139-H150 PolarHBondContact O-CE1 2.85Å; Y139-H150 VanDerWaalsContact O-CE1 3.25Å; F141-H150 AromaticContact CE1-CE1 3.87Å; F141-H150 AromaticContact CE1-ND1 3.62Å; H150-H164 AromaticContact CD2-ND1 3.99Å; H150-H164 PolarHBondContact N-O 3.47Å; H150-H164 AromaticContact NE2-CG 3.81Å; H150-H164 AromaticContact NE2-ND1 3.31Å; H150-H164 PolarHBondContact NE2-ND1 3.23Å; H150-H164 PolarHBondContact O-N 3.35Å; H150-E189 WeakPolarHBondContact CA-OE2 3.37Å
151	A	91.6	Very high	85	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.8	167.4	0	0	0	0	0	112.2	L59 D162 T163 E189 H192 A193	L59-A151 WeakPolarHBondContact CD1-O 3.33Å; A151-D162 CarbonylContact C-O 3.56Å; A151-D162 VanDerWaalsContact CA-O 3.25Å; A151-D162 WeakPolarHBondContact CA-O 3.43Å; A151-T163 HydrophobicContact CB-CG2 4.09Å; A151-E189 HydrophobicContact CB-CB 4.15Å; A151-E189 VanDerWaalsContact CB-O 3.26Å; A151-E189 WeakPolarHBondContact CB-O 3.32Å; A151-E189 PolarHBondContact N-OE2 3.23Å; A151-H192 HydrophobicContact CB-CB 3.98Å; A151-A193 HydrophobicContact CB-CB 4.25Å
152	F	85.3	Confident	85.4	Confident	37 Å²	37	45.4 Å²	45.4	16%	0.162	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-83.9	138.3	172.3	-67.5	-77.2	0	0	0	110.6	D137 Y139 V159 G161 D162	D137-F152 HydrophobicContact CB-CE2 4.08Å; D137-F152 HydrophobicContact CB-CZ 3.82Å; Y139-F152 AromaticContact CD2-CE1 3.95Å; Y139-F152 HydrophobicContact CD2-CE1 3.95Å; Y139-F152 AromaticContact CD2-CZ 3.99Å; Y139-F152 HydrophobicContact CD2-CZ 3.99Å; Y139-F152 AromaticContact CE2-CE1 3.93Å; Y139-F152 HydrophobicContact CE2-CE1 3.93Å; Y139-F152 HydrophobicContact CE2-CZ 4.43Å; F152-V159 VanDerWaalsContact CB-O 3.22Å; F152-V159 WeakPolarHBondContact CB-O 3.29Å; F152-V159 HydrophobicContact CD2-CB 4.41Å; F152-V159 WeakPolarHBondContact CD2-O 3.39Å; F152-G161 VanDerWaalsContact O-CA 3.23Å; F152-G161 WeakPolarHBondContact O-CA 3.45Å; F152-G161 PolarHBondContact O-N 3.44Å; F152-D162 HydrophobicContact CD2-CB 4.07Å; F152-D162 PolarHBondContact N-O 2.94Å
153	F	85.3	Confident	86.2	Confident	29 Å²	29	41.9 Å²	41.9	13%	0.127	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-62.8	159.2	175.6	-72.5	-87.6	0	0	0	112.5	L59 L66 L69 C160 G161 H192 L196	L59-F153 HydrophobicContact CD1-CE2 3.98Å; L59-F153 HydrophobicContact CD1-CZ 4.35Å; L66-F153 HydrophobicContact CD2-CE2 3.59Å; L66-F153 HydrophobicContact CD2-CZ 3.6Å; L69-F153 HydrophobicContact CB-CB 4.24Å; L69-F153 HydrophobicContact CD1-CB 3.56Å; L69-F153 HydrophobicContact CD1-CG 4.13Å; F153-C160 WeakPolarHBondContact O-CA 3.27Å; F153-C160 WeakPolarHBondContact O-CB 3.27Å; F153-G161 PolarHBondContact O-N 3.34Å; F153-H192 AromaticContact CZ-ND1 3.86Å; F153-L196 WeakPolarHBondContact CE1-O 3.24Å
154	P	87.7	Confident	86.7	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.019	23%	0.234	C	C	.	.	S	Bend	trans	-54.3	144.2	171.6	-23.8	31.5	0	0	0	112.7	K70 W71 A193	K70-P154 VanDerWaalsContact C-CB 3.48Å; W71-P154 HydrophobicContact CD2-CB 3.88Å; W71-P154 HydrophobicContact CD2-CG 4.48Å; W71-P154 HydrophobicContact CE3-CB 4.46Å; W71-P154 HydrophobicContact CG-CB 4.01Å; W71-P154 HydrophobicContact CG-CG 4.3Å; W71-P154 HydrophobicContact CZ2-CB 4.31Å; P154-A193 WeakPolarHBondContact CG-O 3.44Å
155	G	81.8	Confident	87.3	Confident	35 Å²	35	35.7 Å²	35.7	36%	0.361	20%	0.203	S	C	.	.	S	Bend	trans	180	-160.8	179.7	0	0	0	0	0	113	C160	G155-C160 WeakPolarHBondContact CA-SG 3.1Å
156	M	71.6	Confident	87.8	Confident	193 Å²	193	34.5 Å²	34.5	95%	0.951	19%	0.191	S	C	*	.	S	Bend	trans	-107.9	-10.9	-175.8	-58.5	-166.3	77.9	0	0	113.7
157	D	75	Confident	88.1	Confident	125 Å²	125	34 Å²	34	67%	0.668	18%	0.182	S	C	*	.	S	Bend	trans	-81.4	156	178.3	-64.9	-45.9	0	0	0	110.5	V159 C160	D157-V159 HydrophobicContact CB-CG2 4.45Å; D157-V159 PolarHBondContact O-N 3.26Å; D157-V159 VanDerWaalsContact O-N 3.15Å; D157-C160 VanDerWaalsContact O-CB 3.31Å; D157-C160 WeakPolarHBondContact O-CB 3.42Å; D157-C160 PolarHBondContact O-N 3.39Å; D157-C160 VanDerWaalsContact O-N 3.08Å; D157-C160 PolarHBondContact O-SG 2.69Å
158	E	75.9	Confident	88.1	Confident	155 Å²	155	35 Å²	35	72%	0.724	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.7	-174.1	-159.8	-168.7	146	0	0	113.3	R127	R127-E158 IonicContact CZ-OE1 3.77Å; R127-E158 IonicContact NH1-OE1 2.8Å; R127-E158 PolarHBondContact NH1-OE1 3.35Å; R127-E158 PolarHBondContact NH2-O 2.81Å; R127-E158 IonicContact NH2-OE1 2.85Å
159	V	79	Confident	88	Confident	64 Å²	64	35.2 Å²	35.2	39%	0.388	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-9.1	-179.3	-61.8	0	0	0	0	113.3	F152 D157 G161 D162	F152-V159 VanDerWaalsContact CB-O 3.22Å; F152-V159 WeakPolarHBondContact CB-O 3.29Å; F152-V159 HydrophobicContact CD2-CB 4.41Å; F152-V159 WeakPolarHBondContact CD2-O 3.39Å; D157-V159 HydrophobicContact CB-CG2 4.45Å; D157-V159 PolarHBondContact O-N 3.26Å; D157-V159 VanDerWaalsContact O-N 3.15Å; V159-G161 PolarHBondContact O-N 2.89Å; V159-D162 VanDerWaalsContact O-CB 3.29Å; V159-D162 WeakPolarHBondContact O-CB 3.03Å; V159-D162 PolarHBondContact O-N 2.85Å; V159-D162 VanDerWaalsContact O-N 3.13Å
160	C	83.1	Confident	87.7	Confident	19 Å²	19	37.7 Å²	37.7	13%	0.128	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	132.2	-177.2	-70.2	0	0	0	0	111.3	W71 F153 G155 D157 D162	W71-C160 HydrophobicContact CH2-CB 4.3Å; F153-C160 WeakPolarHBondContact O-CA 3.27Å; F153-C160 WeakPolarHBondContact O-CB 3.27Å; G155-C160 WeakPolarHBondContact CA-SG 3.1Å; D157-C160 VanDerWaalsContact O-CB 3.31Å; D157-C160 WeakPolarHBondContact O-CB 3.42Å; D157-C160 PolarHBondContact O-N 3.39Å; D157-C160 VanDerWaalsContact O-N 3.08Å; D157-C160 PolarHBondContact O-SG 2.69Å; C160-D162 PolarHBondContact O-N 2.86Å
161	G	86.6	Confident	87.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	-14.1	-175.1	0	0	0	0	0	114.9	I126 F152 F153 V159 T163	I126-G161 WeakPolarHBondContact CG2-O 3.32Å; F152-G161 VanDerWaalsContact O-CA 3.23Å; F152-G161 WeakPolarHBondContact O-CA 3.45Å; F152-G161 PolarHBondContact O-N 3.44Å; F153-G161 PolarHBondContact O-N 3.34Å; V159-G161 PolarHBondContact O-N 2.89Å; G161-T163 PolarHBondContact O-N 2.89Å; G161-T163 PolarHBondContact O-OG1 2.87Å
162	D	92.6	Very high	87.7	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.043	20%	0.203	C	C	.	.			trans	-61.1	139	178.3	-72.4	-9.4	0	0	0	110.8	R127 A151 F152 V159 C160	R127-D162 WeakPolarHBondContact CB-OD1 3.39Å; R127-D162 WeakPolarHBondContact CG-OD1 3.31Å; R127-D162 IonicContact CZ-OD1 2.89Å; R127-D162 IonicContact CZ-OD2 3.89Å; R127-D162 VanDerWaalsContact CZ-OD2 3.26Å; R127-D162 PolarHBondContact N-OD1 2.84Å; R127-D162 IonicContact NE-OD1 3.68Å; R127-D162 PolarHBondContact NE-OD1 2.85Å; R127-D162 IonicContact NE-OD2 3.84Å; R127-D162 PolarHBondContact NE-OD2 3.43Å; R127-D162 VanDerWaalsContact NE-OD2 3.07Å; R127-D162 IonicContact NH2-OD1 3.75Å; R127-D162 IonicContact NH2-OD2 2.87Å; R127-D162 PolarHBondContact NH2-OD2 3.14Å; R127-D162 WeakPolarHBondContact O-CA 3.48Å; A151-D162 CarbonylContact C-O 3.56Å; A151-D162 VanDerWaalsContact CA-O 3.25Å; A151-D162 WeakPolarHBondContact CA-O 3.43Å; F152-D162 HydrophobicContact CD2-CB 4.07Å; F152-D162 PolarHBondContact N-O 2.94Å; V159-D162 VanDerWaalsContact O-CB 3.29Å; V159-D162 WeakPolarHBondContact O-CB 3.03Å; V159-D162 PolarHBondContact O-N 2.85Å; V159-D162 VanDerWaalsContact O-N 3.13Å; C160-D162 PolarHBondContact O-N 2.86Å
163	T	96.2	Very high	87.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.1	-174.8	-56.8	0	0	0	0	109.4	R127 V128 S129 A151 G161 F165 E189 F190	R127-T163 PolarHBondContact O-N 3.41Å; V128-T163 WeakPolarHBondContact CA-O 3.16Å; S129-T163 PolarHBondContact N-O 2.93Å; A151-T163 HydrophobicContact CB-CG2 4.09Å; G161-T163 PolarHBondContact O-N 2.89Å; G161-T163 PolarHBondContact O-OG1 2.87Å; T163-F165 HydrophobicContact CG2-CD2 4.31Å; T163-F165 HydrophobicContact CG2-CE2 3.55Å; T163-F165 HydrophobicContact CG2-CZ 3.8Å; T163-E189 HydrophobicContact CG2-CB 3.58Å; T163-E189 HydrophobicContact CG2-CG 4.33Å; T163-F190 HydrophobicContact CG2-CD1 4.45Å; T163-F190 HydrophobicContact CG2-CE1 4.24Å
164	H	96	Very high	86.6	Confident	19 Å²	19	43.2 Å²	43.2	9%	0.088	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.9	-175.6	-59.9	165.3	0	0	0	110.4	S129 H135 D137 F141 A149 H150	S129-H164 CarbonylContact O-C 3.51Å; S129-H164 WeakPolarHBondContact O-CA 3.16Å; S129-H164 PolarHBondContact OG-CD2 3.35Å; H135-H164 AromaticContact CD2-CE1 3.86Å; H135-H164 AromaticContact CD2-CG 3.89Å; H135-H164 AromaticContact CD2-ND1 3.22Å; H135-H164 PolarHBondContact CD2-ND1 2.88Å; H135-H164 AromaticContact NE2-CG 3.65Å; H135-H164 AromaticContact NE2-ND1 3.07Å; H135-H164 PolarHBondContact NE2-ND1 3.35Å; D137-H164 IonicContact OD2-CE1 3.8Å; D137-H164 PolarHBondContact OD2-CE1 3.04Å; D137-H164 VanDerWaalsContact OD2-CE1 3.27Å; D137-H164 IonicContact OD2-ND1 3.68Å; D137-H164 PolarHBondContact OD2-ND1 3.03Å; F141-H164 HydrophobicContact CE2-CB 4.17Å; F141-H164 HydrophobicContact CZ-CB 3.74Å; F141-H164 WeakPolarHBondContact CZ-O 3.27Å; A149-H164 CarbonylContact C-O 3.59Å; A149-H164 WeakPolarHBondContact CA-O 3.47Å; A149-H164 WeakPolarHBondContact CB-O 3.09Å; H150-H164 AromaticContact CD2-ND1 3.99Å; H150-H164 PolarHBondContact N-O 3.47Å; H150-H164 AromaticContact NE2-CG 3.81Å; H150-H164 AromaticContact NE2-ND1 3.31Å; H150-H164 PolarHBondContact NE2-ND1 3.23Å; H150-H164 PolarHBondContact O-N 3.35Å
165	F	97.6	Very high	85.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.1	176.4	-64.1	-92	0	0	0	109.4	L98 V128 S129 F130 A131 A149 T163 D167 W171 L182 V185 A186	L98-F165 HydrophobicContact CD2-CE2 4.16Å; L98-F165 HydrophobicContact CD2-CZ 4.03Å; V128-F165 HydrophobicContact CG1-CD2 3.88Å; V128-F165 HydrophobicContact CG1-CE2 3.59Å; S129-F165 PolarHBondContact O-N 3.1Å; F130-F165 WeakPolarHBondContact CA-O 3.39Å; F130-F165 HydrophobicContact CD1-CB 3.66Å; F130-F165 HydrophobicContact CD1-CG 4.46Å; F130-F165 HydrophobicContact CE1-CB 3.73Å; F130-F165 HydrophobicContact CE1-CD2 4.47Å; F130-F165 HydrophobicContact CE1-CG 4.09Å; F130-F165 HydrophobicContact CG-CB 4.27Å; F130-F165 HydrophobicContact CZ-CB 4.37Å; F130-F165 HydrophobicContact CZ-CD2 4.29Å; F130-F165 HydrophobicContact CZ-CG 4.33Å; A131-F165 PolarHBondContact N-O 3.38Å; A149-F165 HydrophobicContact CB-CD1 3.93Å; A149-F165 HydrophobicContact CB-CE1 4.41Å; A149-F165 HydrophobicContact CB-CG 4.43Å; T163-F165 HydrophobicContact CG2-CD2 4.31Å; T163-F165 HydrophobicContact CG2-CE2 3.55Å; T163-F165 HydrophobicContact CG2-CZ 3.8Å; F165-D167 PolarHBondContact O-N 3.34Å; F165-W171 HydrophobicContact CB-CH2 4.37Å; F165-W171 HydrophobicContact CB-CZ2 3.72Å; F165-W171 AromaticContact CD1-CH2 3.73Å; F165-W171 HydrophobicContact CD1-CH2 3.73Å; F165-W171 AromaticContact CD1-CZ2 3.95Å; F165-W171 HydrophobicContact CD1-CZ2 3.95Å; F165-W171 HydrophobicContact CD1-CZ3 4.23Å; F165-W171 HydrophobicContact CG-CZ2 4.33Å; F165-L182 HydrophobicContact CD1-CD1 3.75Å; F165-L182 HydrophobicContact CE1-CD1 3.75Å; F165-L182 HydrophobicContact CG-CD1 4.35Å; F165-L182 HydrophobicContact CZ-CD1 4.34Å; F165-V185 HydrophobicContact CD1-CG1 4.17Å; F165-V185 HydrophobicContact CE1-CB 4.41Å; F165-V185 HydrophobicContact CE1-CG1 3.98Å; F165-A186 HydrophobicContact CE1-CB 4.09Å; F165-A186 HydrophobicContact CZ-CB 3.83Å
166	D	95.5	Very high	84.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	118	177	-168.2	-6.7	0	0	0	110.5	A131 F141 G143 L148 H168 E169 W171	A131-D166 CarbonylContact O-C 3.53Å; A131-D166 WeakPolarHBondContact O-CA 3.12Å; F141-D166 HydrophobicContact CB-CB 4.03Å; F141-D166 WeakPolarHBondContact CB-OD2 3.43Å; F141-D166 HydrophobicContact CD1-CB 4.14Å; F141-D166 HydrophobicContact CD2-CB 3.62Å; F141-D166 HydrophobicContact CE2-CB 4.05Å; F141-D166 HydrophobicContact CG-CB 3.68Å; F141-D166 HydrophobicContact CZ-CB 4.5Å; G143-D166 WeakPolarHBondContact CA-OD2 3.37Å; G143-D166 PolarHBondContact N-OD2 3.36Å; L148-D166 PolarHBondContact O-N 3.14Å; D166-H168 PolarHBondContact O-N 3.37Å; D166-H168 WeakPolarHBondContact OD1-CB 3.4Å; D166-H168 IonicContact OD1-CG 3.66Å; D166-H168 PolarHBondContact OD1-N 2.81Å; D166-H168 IonicContact OD1-ND1 3.98Å; D166-H168 PolarHBondContact OD1-ND1 3.44Å; D166-H168 VanDerWaalsContact OD1-ND1 3.13Å; D166-E169 HydrophobicContact CB-CG 4.22Å; D166-E169 WeakPolarHBondContact O-CB 3.41Å; D166-E169 PolarHBondContact O-N 3.46Å; D166-E169 VanDerWaalsContact O-N 3.15Å; D166-W171 PolarHBondContact O-NE1 2.88Å
167	D	94.8	Very high	83.7	Confident	17 Å²	17	43.1 Å²	43.1	9%	0.091	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-5.4	178.4	-166.4	43.8	0	0	0	113.1	P84 S85 R86 F130 A131 F165 E169	P84-D167 WeakPolarHBondContact CA-OD1 3.31Å; S85-D167 WeakPolarHBondContact CB-OD2 3.31Å; S85-D167 PolarHBondContact N-OD1 2.85Å; S85-D167 PolarHBondContact OG-OD2 3.44Å; R86-D167 WeakPolarHBondContact CD-O 3.47Å; R86-D167 WeakPolarHBondContact CG-O 3.49Å; R86-D167 PolarHBondContact NE-O 3Å; F130-D167 HydrophobicContact CB-CB 4.23Å; A131-D167 PolarHBondContact O-N 2.79Å; F165-D167 PolarHBondContact O-N 3.34Å; D167-E169 VanDerWaalsContact C-N 3.33Å
168	H	90.7	Very high	83.3	Confident	25 Å²	25	42.7 Å²	42.7	12%	0.116	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.5	166.6	-71.1	86.1	0	0	0	113.5	R86 S132 G143 D166	R86-H168 PolarHBondContact NH1-CD2 2.73Å; R86-H168 PolarHBondContact NH2-CD2 2.73Å; R86-H168 VanDerWaalsContact NH2-CD2 3.26Å; R86-H168 PolarHBondContact NH2-NE2 2.9Å; S132-H168 VanDerWaalsContact CB-CE1 3.49Å; S132-H168 WeakPolarHBondContact CB-CE1 3.44Å; S132-H168 PolarHBondContact OG-CE1 3.33Å; S132-H168 PolarHBondContact OG-ND1 2.72Å; G143-H168 VanDerWaalsContact C-CB 3.47Å; D166-H168 PolarHBondContact O-N 3.37Å; D166-H168 WeakPolarHBondContact OD1-CB 3.4Å; D166-H168 IonicContact OD1-CG 3.66Å; D166-H168 PolarHBondContact OD1-N 2.81Å; D166-H168 IonicContact OD1-ND1 3.98Å; D166-H168 PolarHBondContact OD1-ND1 3.44Å; D166-H168 VanDerWaalsContact OD1-ND1 3.13Å
169	E	92.4	Very high	83.7	Confident	8 Å²	8	36.5 Å²	36.5	4%	0.037	23%	0.227	C	C	.	.	S	Bend	trans	-71.1	151.1	175.3	-69.1	-61.3	155.9	0	0	111.9	S87 G145 L148 D166 D167 W171 T180	S87-E169 PolarHBondContact OG-O 3.36Å; G145-E169 WeakPolarHBondContact CA-OE1 3.43Å; G145-E169 PolarHBondContact N-OE1 3.21Å; L148-E169 VanDerWaalsContact CD2-CD 3.41Å; L148-E169 HydrophobicContact CD2-CG 3.82Å; L148-E169 WeakPolarHBondContact CD2-OE1 3.5Å; D166-E169 HydrophobicContact CB-CG 4.22Å; D166-E169 WeakPolarHBondContact O-CB 3.41Å; D166-E169 PolarHBondContact O-N 3.46Å; D166-E169 VanDerWaalsContact O-N 3.15Å; D167-E169 VanDerWaalsContact C-N 3.33Å; E169-W171 HydrophobicContact CB-CD2 4.26Å; E169-W171 HydrophobicContact CB-CZ2 3.83Å; E169-W171 HydrophobicContact CG-CZ2 4.11Å; E169-W171 PolarHBondContact O-N 2.86Å; E169-T180 PolarHBondContact OE2-OG1 2.67Å; E169-T180 VanDerWaalsContact OE2-OG1 3.12Å
170	T	91.4	Very high	84.2	Confident	52 Å²	52	33.9 Å²	33.9	32%	0.319	21%	0.212	S	C	.	.			trans	-93.2	88.7	170.8	-53.5	0	0	0	0	108.6	T179 T180	T170-T179 HydrophobicContact CG2-CG2 3.93Å; T170-T180 PolarHBondContact O-N 3.46Å
171	W	93.1	Very high	84.7	Confident	1 Å²	1	33 Å²	33	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.6	179.9	-61.2	101.4	0	0	0	111.3	P84 S87 V89 F130 L148 F165 D166 E169 T180 L182 V185	P84-W171 HydrophobicContact CB-CG 4.45Å; S87-W171 WeakPolarHBondContact CB-O 3.36Å; S87-W171 WeakPolarHBondContact OG-CB 3.43Å; S87-W171 PolarHBondContact OG-N 3.41Å; V89-W171 VanDerWaalsContact CG2-O 3.24Å; V89-W171 WeakPolarHBondContact CG2-O 3.46Å; F130-W171 AromaticContact CD1-NE1 3.79Å; F130-W171 AromaticContact CE1-CD1 3.88Å; F130-W171 HydrophobicContact CE1-CD2 4.37Å; F130-W171 HydrophobicContact CE1-CG 4.2Å; F130-W171 AromaticContact CE1-NE1 3.84Å; L148-W171 HydrophobicContact CB-CH2 4.4Å; L148-W171 WeakPolarHBondContact O-CZ2 3.46Å; F165-W171 HydrophobicContact CB-CH2 4.37Å; F165-W171 HydrophobicContact CB-CZ2 3.72Å; F165-W171 AromaticContact CD1-CH2 3.73Å; F165-W171 HydrophobicContact CD1-CH2 3.73Å; F165-W171 AromaticContact CD1-CZ2 3.95Å; F165-W171 HydrophobicContact CD1-CZ2 3.95Å; F165-W171 HydrophobicContact CD1-CZ3 4.23Å; F165-W171 HydrophobicContact CG-CZ2 4.33Å; D166-W171 PolarHBondContact O-NE1 2.88Å; E169-W171 HydrophobicContact CB-CD2 4.26Å; E169-W171 HydrophobicContact CB-CZ2 3.83Å; E169-W171 HydrophobicContact CG-CZ2 4.11Å; E169-W171 PolarHBondContact O-N 2.86Å; W171-T180 CarbonylContact C-O 3.6Å; W171-T180 WeakPolarHBondContact CA-O 2.82Å; W171-T180 HydrophobicContact CE3-CG2 4Å; W171-T180 HydrophobicContact CH2-CG2 4.11Å; W171-T180 HydrophobicContact CZ3-CG2 3.54Å; W171-L182 HydrophobicContact CB-CB 4.42Å; W171-L182 HydrophobicContact CD2-CB 4.47Å; W171-L182 HydrophobicContact CD2-CD1 3.99Å; W171-L182 HydrophobicContact CE3-CB 3.8Å; W171-L182 HydrophobicContact CE3-CD1 3.66Å; W171-L182 HydrophobicContact CE3-CG 4.33Å; W171-L182 HydrophobicContact CZ3-CD1 4.01Å; W171-V185 HydrophobicContact CH2-CB 4.17Å; W171-V185 HydrophobicContact CH2-CG1 3.97Å; W171-V185 HydrophobicContact CH2-CG2 4.22Å; W171-V185 HydrophobicContact CZ3-CB 3.84Å; W171-V185 HydrophobicContact CZ3-CG1 4.17Å; W171-V185 HydrophobicContact CZ3-CG2 3.8Å
172	S	89.6	Confident	85.1	Confident	4 Å²	4	33 Å²	33	3%	0.028	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	179	179.3	64.9	0	0	0	0	109.9	T179 T180 D181 L182	S172-T179 VanDerWaalsContact OG-CB 3.23Å; S172-T179 WeakPolarHBondContact OG-CB 3.48Å; S172-T179 PolarHBondContact OG-OG1 3.24Å; S172-T180 PolarHBondContact N-O 2.9Å; S172-T180 PolarHBondContact OG-O 3.5Å; S172-D181 WeakPolarHBondContact O-CA 3.02Å; S172-L182 PolarHBondContact O-N 2.79Å
173	Y	80.7	Confident	85.3	Confident	51 Å²	51	32.7 Å²	32.7	20%	0.2	20%	0.204	C	C	.	.	S	Bend	trans	-138.9	132.4	168.8	70.4	-78.5	0	0	0	108.9	V93 L97 E175 D181 F252	V93-Y173 HydrophobicContact CG1-CD1 4.04Å; V93-Y173 HydrophobicContact CG1-CE1 4.14Å; L97-Y173 HydrophobicContact CD1-CG 4.33Å; Y173-E175 PolarHBondContact O-N 2.94Å; Y173-D181 WeakPolarHBondContact CA-OD2 3.06Å; Y173-F252 HydrophobicContact CD2-CE1 4.23Å; Y173-F252 HydrophobicContact CE1-CD1 4.48Å; Y173-F252 AromaticContact CE2-CD1 3.59Å; Y173-F252 HydrophobicContact CE2-CD1 3.59Å; Y173-F252 AromaticContact CE2-CE1 3.56Å; Y173-F252 HydrophobicContact CE2-CE1 3.56Å; Y173-F252 HydrophobicContact CE2-CG 4.14Å; Y173-F252 HydrophobicContact CE2-CZ 4.1Å; Y173-F252 AromaticContact CZ-CD1 3.51Å; Y173-F252 AromaticContact CZ-CE1 3.77Å; Y173-F252 WeakPolarHBondContact OH-CD1 3.2Å
174	R	67.1	Low	85.3	Confident	128 Å²	128	33 Å²	33	48%	0.483	21%	0.206	S	C	.	.	S	Bend	trans	61.6	12.5	175.6	-150.3	-173.4	-78.6	-158.6	-8.1	114.8	D181 D216	R174-D181 PolarHBondContact N-OD2 3.42Å; R174-D216 IonicContact NH2-OD1 2.9Å; R174-D216 PolarHBondContact NH2-OD1 3.26Å; R174-D216 IonicContact NH2-OD2 3.29Å; R174-D216 PolarHBondContact NH2-OD2 3.39Å
175	E	64.2	Low	85.4	Confident	85 Å²	85	32.5 Å²	32.5	40%	0.397	20%	0.204	S	C	.	.			trans	-98.6	128	174.9	-69.5	-176.1	173.9	0	0	109.7	Y173	Y173-E175 PolarHBondContact O-N 2.94Å
176	G	53.6	Low	85.4	Confident	73 Å²	73	32.5 Å²	32.5	75%	0.753	20%	0.204	S	C	*	.			trans	-92.4	141.5	170.9	0	0	0	0	0	110.6
177	G	62.8	Low	85.5	Confident	72 Å²	72	32.5 Å²	32.5	74%	0.742	20%	0.204	S	C	*	.	S	Bend	trans	140.9	-136.9	177.5	0	0	0	0	0	113.3	T179	G177-T179 VanDerWaalsContact C-N 3.26Å; G177-T179 PolarHBondContact O-N 3.48Å
178	S	66.9	Low	85.7	Confident	115 Å²	115	32.2 Å²	32.2	80%	0.804	20%	0.202	S	C	*	.	S	Bend	trans	-85.8	14	-179.3	63.4	0	0	0	0	114.2
179	T	83.1	Confident	86	Confident	25 Å²	25	31.1 Å²	31.1	15%	0.153	20%	0.197	C	C	.	.	S	Bend	trans	-108.1	157	-178.7	58.3	0	0	0	0	110.6	T170 S172 G177	T170-T179 HydrophobicContact CG2-CG2 3.93Å; S172-T179 VanDerWaalsContact OG-CB 3.23Å; S172-T179 WeakPolarHBondContact OG-CB 3.48Å; S172-T179 PolarHBondContact OG-OG1 3.24Å; G177-T179 VanDerWaalsContact C-N 3.26Å; G177-T179 PolarHBondContact O-N 3.48Å
180	T	90.6	Very high	86.3	Confident	9 Å²	9	30.7 Å²	30.7	6%	0.055	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128	-178.5	-55.7	0	0	0	0	108.9	L148 E169 T170 W171 S172 L182 V185 Y210	L148-T180 HydrophobicContact CD1-CG2 3.86Å; L148-T180 HydrophobicContact CD2-CG2 3.9Å; L148-T180 HydrophobicContact CG-CG2 4.41Å; E169-T180 PolarHBondContact OE2-OG1 2.67Å; E169-T180 VanDerWaalsContact OE2-OG1 3.12Å; T170-T180 PolarHBondContact O-N 3.46Å; W171-T180 CarbonylContact C-O 3.6Å; W171-T180 WeakPolarHBondContact CA-O 2.82Å; W171-T180 HydrophobicContact CE3-CG2 4Å; W171-T180 HydrophobicContact CH2-CG2 4.11Å; W171-T180 HydrophobicContact CZ3-CG2 3.54Å; S172-T180 PolarHBondContact N-O 2.9Å; S172-T180 PolarHBondContact OG-O 3.5Å; T180-L182 PolarHBondContact O-N 3.22Å; T180-V185 HydrophobicContact CG2-CG2 3.89Å; T180-Y210 HydrophobicContact CG2-CE2 4.34Å
181	D	93.5	Very high	86.5	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.011	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	111.3	-177.2	-175.4	-92.9	0	0	0	110.2	S172 Y173 R174 F183 T184 V185 Y210 P213	S172-D181 WeakPolarHBondContact O-CA 3.02Å; Y173-D181 WeakPolarHBondContact CA-OD2 3.06Å; R174-D181 PolarHBondContact N-OD2 3.42Å; D181-F183 VanDerWaalsContact C-N 3.31Å; D181-F183 PolarHBondContact O-N 3.11Å; D181-F183 PolarHBondContact OD1-N 3.27Å; D181-T184 PolarHBondContact O-N 2.81Å; D181-T184 VanDerWaalsContact OD1-CB 3.32Å; D181-T184 WeakPolarHBondContact OD1-CB 3.47Å; D181-T184 PolarHBondContact OD1-N 2.56Å; D181-T184 PolarHBondContact OD1-OG1 3.13Å; D181-V185 PolarHBondContact O-N 2.83Å; D181-Y210 HydrophobicContact CB-CE2 4.49Å; D181-Y210 VanDerWaalsContact CB-OH 3.26Å; D181-Y210 WeakPolarHBondContact CB-OH 3.45Å; D181-Y210 PolarHBondContact N-OH 3.36Å; D181-P213 HydrophobicContact CB-CB 4.04Å; D181-P213 HydrophobicContact CB-CG 3.96Å
182	L	95.8	Very high	86.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-36.7	-174.2	177.8	60.5	0	0	0	112.1	V94 L97 F130 F165 W171 S172 T180 A186	V94-L182 HydrophobicContact CB-CD2 4.38Å; V94-L182 HydrophobicContact CG1-CD2 4.15Å; V94-L182 HydrophobicContact CG2-CD2 3.98Å; L97-L182 HydrophobicContact CD1-CB 4.33Å; L97-L182 HydrophobicContact CD1-CD2 4.24Å; F130-L182 HydrophobicContact CE1-CD1 4Å; F130-L182 HydrophobicContact CE1-CD2 4.49Å; F130-L182 HydrophobicContact CZ-CD1 3.92Å; F130-L182 HydrophobicContact CZ-CD2 4.03Å; F165-L182 HydrophobicContact CD1-CD1 3.75Å; F165-L182 HydrophobicContact CE1-CD1 3.75Å; F165-L182 HydrophobicContact CG-CD1 4.35Å; F165-L182 HydrophobicContact CZ-CD1 4.34Å; W171-L182 HydrophobicContact CB-CB 4.42Å; W171-L182 HydrophobicContact CD2-CB 4.47Å; W171-L182 HydrophobicContact CD2-CD1 3.99Å; W171-L182 HydrophobicContact CE3-CB 3.8Å; W171-L182 HydrophobicContact CE3-CD1 3.66Å; W171-L182 HydrophobicContact CE3-CG 4.33Å; W171-L182 HydrophobicContact CZ3-CD1 4.01Å; S172-L182 PolarHBondContact O-N 2.79Å; T180-L182 PolarHBondContact O-N 3.22Å; L182-A186 WeakPolarHBondContact O-CB 3.39Å; L182-A186 PolarHBondContact O-N 3.28Å
183	F	95.9	Very high	86.8	Confident	1 Å²	1	28 Å²	28	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-48	179.5	175.3	-96.3	0	0	0	111.1	L97 L100 A101 D181 V185 A186 V187 V214 V217 Y220	L97-F183 HydrophobicContact CD2-CB 4.22Å; L100-F183 HydrophobicContact CB-CD2 4.23Å; L100-F183 HydrophobicContact CB-CE2 3.67Å; A101-F183 HydrophobicContact CB-CD2 4.25Å; A101-F183 HydrophobicContact CB-CE2 4.2Å; D181-F183 VanDerWaalsContact C-N 3.31Å; D181-F183 PolarHBondContact O-N 3.11Å; D181-F183 PolarHBondContact OD1-N 3.27Å; F183-V185 PolarHBondContact O-N 2.88Å; F183-A186 PolarHBondContact O-N 2.99Å; F183-V187 HydrophobicContact CD1-CG2 4.19Å; F183-V187 HydrophobicContact CD2-CG2 4.42Å; F183-V187 HydrophobicContact CE1-CG2 3.79Å; F183-V187 HydrophobicContact CE2-CG2 4.03Å; F183-V187 HydrophobicContact CZ-CG2 3.71Å; F183-V187 WeakPolarHBondContact O-CG2 3.37Å; F183-V187 PolarHBondContact O-N 3.27Å; F183-V214 HydrophobicContact CD1-CG2 3.61Å; F183-V214 HydrophobicContact CE1-CG2 3.54Å; F183-V217 HydrophobicContact CB-CG1 3.75Å; F183-V217 HydrophobicContact CD1-CB 4.09Å; F183-V217 HydrophobicContact CD1-CG1 3.55Å; F183-V217 HydrophobicContact CD2-CB 3.87Å; F183-V217 HydrophobicContact CD2-CG1 3.85Å; F183-V217 HydrophobicContact CE1-CB 4.13Å; F183-V217 HydrophobicContact CE1-CG1 4.05Å; F183-V217 HydrophobicContact CE2-CB 3.92Å; F183-V217 HydrophobicContact CE2-CG1 4.32Å; F183-V217 HydrophobicContact CG-CB 3.95Å; F183-V217 HydrophobicContact CG-CG1 3.41Å; F183-V217 VanDerWaalsContact CG-CG1 3.41Å; F183-V217 HydrophobicContact CZ-CB 4.04Å; F183-V217 HydrophobicContact CZ-CG1 4.41Å; F183-Y220 AromaticContact CE1-CD1 3.81Å; F183-Y220 HydrophobicContact CE1-CD1 3.81Å; F183-Y220 HydrophobicContact CE1-CD2 4.34Å; F183-Y220 AromaticContact CE1-CG 3.7Å; F183-Y220 HydrophobicContact CE1-CG 3.7Å; F183-Y220 AromaticContact CZ-CD1 3.76Å; F183-Y220 HydrophobicContact CZ-CD1 3.76Å; F183-Y220 AromaticContact CZ-CG 3.95Å; F183-Y220 HydrophobicContact CZ-CG 3.95Å
184	T	95.7	Very high	87.5	Confident	7 Å²	7	25.6 Å²	25.6	4%	0.043	17%	0.169	C	C	.	.	H	α-helix	trans	-56.8	-50.3	178.9	-60.4	0	0	0	0	111.3	D181 V187 H188 I205 Y210 G212 P213 V214	D181-T184 PolarHBondContact O-N 2.81Å; D181-T184 VanDerWaalsContact OD1-CB 3.32Å; D181-T184 WeakPolarHBondContact OD1-CB 3.47Å; D181-T184 PolarHBondContact OD1-N 2.56Å; D181-T184 PolarHBondContact OD1-OG1 3.13Å; T184-V187 PolarHBondContact O-N 3.12Å; T184-H188 PolarHBondContact O-N 2.88Å; T184-I205 HydrophobicContact CG2-CD1 3.9Å; T184-Y210 HydrophobicContact CG2-CD2 4.27Å; T184-Y210 HydrophobicContact CG2-CE2 3.92Å; T184-G212 WeakPolarHBondContact CG2-O 3.43Å; T184-P213 WeakPolarHBondContact OG1-CA 3.33Å; T184-V214 HydrophobicContact CG2-CG1 3.93Å; T184-V214 PolarHBondContact OG1-N 2.92Å
185	V	97.6	Very high	88.4	Confident	7 Å²	7	19.8 Å²	19.8	4%	0.042	15%	0.149	C	C	.	.	H	α-helix	trans	-66.3	-40.9	179	-178.7	0	0	0	0	110.7	L148 A149 F165 W171 T180 D181 F183 V187 H188 E189 Y210	L148-V185 HydrophobicContact CB-CG1 4.4Å; L148-V185 HydrophobicContact CD1-CG2 3.93Å; A149-V185 HydrophobicContact CB-CG1 3.6Å; F165-V185 HydrophobicContact CD1-CG1 4.17Å; F165-V185 HydrophobicContact CE1-CB 4.41Å; F165-V185 HydrophobicContact CE1-CG1 3.98Å; W171-V185 HydrophobicContact CH2-CB 4.17Å; W171-V185 HydrophobicContact CH2-CG1 3.97Å; W171-V185 HydrophobicContact CH2-CG2 4.22Å; W171-V185 HydrophobicContact CZ3-CB 3.84Å; W171-V185 HydrophobicContact CZ3-CG1 4.17Å; W171-V185 HydrophobicContact CZ3-CG2 3.8Å; T180-V185 HydrophobicContact CG2-CG2 3.89Å; D181-V185 PolarHBondContact O-N 2.83Å; F183-V185 PolarHBondContact O-N 2.88Å; V185-V187 PolarHBondContact O-N 2.82Å; V185-H188 WeakPolarHBondContact O-CB 3.4Å; V185-H188 PolarHBondContact O-N 3.44Å; V185-E189 HydrophobicContact CG1-CG 3.98Å; V185-E189 WeakPolarHBondContact O-CG 3.41Å; V185-E189 PolarHBondContact O-N 2.92Å; V185-Y210 HydrophobicContact CG2-CD2 4.05Å; V185-Y210 HydrophobicContact CG2-CE2 4.1Å
186	A	98.3	Very high	89.5	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.3	-39.1	178.5	0	0	0	0	0	113.3	L98 A101 F165 L182 F183 H188 F190	L98-A186 HydrophobicContact CD2-CB 3.75Å; A101-A186 HydrophobicContact CB-CB 3.82Å; F165-A186 HydrophobicContact CE1-CB 4.09Å; F165-A186 HydrophobicContact CZ-CB 3.83Å; L182-A186 WeakPolarHBondContact O-CB 3.39Å; L182-A186 PolarHBondContact O-N 3.28Å; F183-A186 PolarHBondContact O-N 2.99Å; A186-H188 VanDerWaalsContact C-N 3.31Å; A186-H188 PolarHBondContact O-N 3.41Å; A186-F190 HydrophobicContact CB-CD2 4.43Å; A186-F190 HydrophobicContact CB-CE2 4.17Å; A186-F190 WeakPolarHBondContact O-CB 3.12Å; A186-F190 WeakPolarHBondContact O-CD2 3.33Å; A186-F190 VanDerWaalsContact O-CG 3.23Å; A186-F190 WeakPolarHBondContact O-CG 3.38Å; A186-F190 PolarHBondContact O-N 3.49Å
187	V	98.3	Very high	90.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.5	-46.6	174.5	176.1	0	0	0	0	109.7	A101 W105 F183 T184 V185 G191 I205 Y220 L222	A101-V187 HydrophobicContact CB-CB 4.46Å; A101-V187 HydrophobicContact CB-CG2 3.66Å; W105-V187 HydrophobicContact CZ2-CG1 4.18Å; W105-V187 WeakPolarHBondContact CZ2-O 3.41Å; W105-V187 PolarHBondContact NE1-O 2.87Å; F183-V187 HydrophobicContact CD1-CG2 4.19Å; F183-V187 HydrophobicContact CD2-CG2 4.42Å; F183-V187 HydrophobicContact CE1-CG2 3.79Å; F183-V187 HydrophobicContact CE2-CG2 4.03Å; F183-V187 HydrophobicContact CZ-CG2 3.71Å; F183-V187 WeakPolarHBondContact O-CG2 3.37Å; F183-V187 PolarHBondContact O-N 3.27Å; T184-V187 PolarHBondContact O-N 3.12Å; V185-V187 PolarHBondContact O-N 2.82Å; V187-G191 PolarHBondContact O-N 2.86Å; V187-G191 VanDerWaalsContact O-N 3.16Å; V187-I205 HydrophobicContact CB-CG1 4.03Å; V187-I205 HydrophobicContact CG1-CB 4.38Å; V187-I205 HydrophobicContact CG1-CG1 3.68Å; V187-I205 HydrophobicContact CG1-CG2 3.93Å; V187-Y220 HydrophobicContact CG1-CE1 3.81Å; V187-Y220 HydrophobicContact CG2-CD1 4.41Å; V187-Y220 HydrophobicContact CG2-CE1 4.12Å; V187-L222 HydrophobicContact CG1-CD2 4.04Å
188	H	98	Very high	92.1	Very high	11 Å²	11	12.1 Å²	12.1	5%	0.051	8%	0.079	C	C	.	.	H	α-helix	trans	-59	-55.2	177.6	179.8	102.6	0	0	0	112	C57 T184 V185 A186 F190 G191 H192 H198 I205 M206 R207	C57-H188 WeakPolarHBondContact CB-NE2 3.27Å; T184-H188 PolarHBondContact O-N 2.88Å; V185-H188 WeakPolarHBondContact O-CB 3.4Å; V185-H188 PolarHBondContact O-N 3.44Å; A186-H188 VanDerWaalsContact C-N 3.31Å; A186-H188 PolarHBondContact O-N 3.41Å; H188-F190 VanDerWaalsContact C-N 3.32Å; H188-F190 PolarHBondContact O-N 2.6Å; H188-G191 WeakPolarHBondContact O-CA 3.34Å; H188-G191 PolarHBondContact O-N 2.57Å; H188-H192 AromaticContact CD2-CD2 3.79Å; H188-H192 AromaticContact CD2-NE2 3.68Å; H188-H192 AromaticContact CE1-NE2 3.98Å; H188-H192 AromaticContact NE2-CD2 3.73Å; H188-H192 AromaticContact NE2-NE2 3.13Å; H188-H192 PolarHBondContact NE2-NE2 3.1Å; H188-H192 VanDerWaalsContact NE2-NE2 3.13Å; H188-H192 PolarHBondContact O-N 2.99Å; H188-H198 AromaticContact CE1-CD2 3.51Å; H188-H198 AromaticContact CE1-NE2 3.67Å; H188-H198 AromaticContact NE2-CD2 3.53Å; H188-H198 AromaticContact NE2-NE2 3.3Å; H188-H198 PolarHBondContact NE2-NE2 3.36Å; H188-I205 HydrophobicContact CB-CG1 4.46Å; H188-I205 PolarHBondContact ND1-O 2.93Å; H188-M206 WeakPolarHBondContact O-CE 3.22Å; H188-R207 PolarHBondContact CE1-O 2.9Å; H188-R207 PolarHBondContact ND1-O 3.15Å
189	E	98.1	Very high	92.8	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.009	5%	0.047	C	C	.	.	H	α-helix	trans	-65.5	-34.7	-176.1	-60.9	-54.6	153.5	0	0	112.5	C57 A149 H150 A151 T163 V185 G191 H192 A193	C57-E189 PolarHBondContact SG-OE1 2.85Å; A149-E189 HydrophobicContact CB-CG 3.59Å; A149-E189 WeakPolarHBondContact CB-OE1 3.32Å; H150-E189 WeakPolarHBondContact CA-OE2 3.37Å; A151-E189 HydrophobicContact CB-CB 4.15Å; A151-E189 VanDerWaalsContact CB-O 3.26Å; A151-E189 WeakPolarHBondContact CB-O 3.32Å; A151-E189 PolarHBondContact N-OE2 3.23Å; T163-E189 HydrophobicContact CG2-CB 3.58Å; T163-E189 HydrophobicContact CG2-CG 4.33Å; V185-E189 HydrophobicContact CG1-CG 3.98Å; V185-E189 WeakPolarHBondContact O-CG 3.41Å; V185-E189 PolarHBondContact O-N 2.92Å; E189-G191 PolarHBondContact O-N 3.5Å; E189-H192 WeakPolarHBondContact O-CB 3.49Å; E189-H192 PolarHBondContact O-N 3.32Å; E189-H192 VanDerWaalsContact O-N 3.09Å; E189-H192 IonicContact OE2-CD2 3.59Å; E189-A193 PolarHBondContact O-N 3.5Å
190	F	98.4	Very high	92.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.3	-25.9	172.3	-67.7	-33.3	0	0	0	113	L98 A101 L102 I126 V128 T163 A186 H188 H192 A193 L194	L98-F190 HydrophobicContact CB-CE2 4.24Å; L98-F190 HydrophobicContact CB-CZ 4.28Å; L98-F190 HydrophobicContact CD2-CE2 4.05Å; L98-F190 HydrophobicContact CD2-CZ 3.87Å; L98-F190 WeakPolarHBondContact O-CE2 3.47Å; A101-F190 HydrophobicContact CB-CD2 3.76Å; A101-F190 HydrophobicContact CB-CE2 3.92Å; L102-F190 HydrophobicContact CD1-CE2 4.29Å; L102-F190 HydrophobicContact CD1-CZ 4.39Å; L102-F190 HydrophobicContact CD2-CB 4.06Å; L102-F190 HydrophobicContact CD2-CD1 3.97Å; L102-F190 HydrophobicContact CD2-CD2 3.57Å; L102-F190 HydrophobicContact CD2-CE1 4.28Å; L102-F190 HydrophobicContact CD2-CE2 3.91Å; L102-F190 HydrophobicContact CD2-CG 3.6Å; L102-F190 HydrophobicContact CD2-CZ 4.23Å; L102-F190 HydrophobicContact CG-CD2 3.65Å; L102-F190 HydrophobicContact CG-CE2 3.6Å; L102-F190 HydrophobicContact CG-CG 4.22Å; L102-F190 HydrophobicContact CG-CZ 4.11Å; I126-F190 HydrophobicContact CG2-CD1 4.06Å; I126-F190 HydrophobicContact CG2-CE1 3.69Å; V128-F190 HydrophobicContact CG2-CE1 3.83Å; V128-F190 HydrophobicContact CG2-CZ 3.86Å; T163-F190 HydrophobicContact CG2-CD1 4.45Å; T163-F190 HydrophobicContact CG2-CE1 4.24Å; A186-F190 HydrophobicContact CB-CD2 4.43Å; A186-F190 HydrophobicContact CB-CE2 4.17Å; A186-F190 WeakPolarHBondContact O-CB 3.12Å; A186-F190 WeakPolarHBondContact O-CD2 3.33Å; A186-F190 VanDerWaalsContact O-CG 3.23Å; A186-F190 WeakPolarHBondContact O-CG 3.38Å; A186-F190 PolarHBondContact O-N 3.49Å; H188-F190 VanDerWaalsContact C-N 3.32Å; H188-F190 PolarHBondContact O-N 2.6Å; F190-H192 VanDerWaalsContact C-N 3.31Å; F190-H192 PolarHBondContact O-N 2.88Å; F190-A193 PolarHBondContact O-N 3.08Å; F190-L194 VanDerWaalsContact O-CB 3.31Å; F190-L194 WeakPolarHBondContact O-CB 3.49Å; F190-L194 WeakPolarHBondContact O-CD1 3.47Å; F190-L194 WeakPolarHBondContact O-CG 3.3Å; F190-L194 PolarHBondContact O-N 2.87Å
191	G	96.3	Very high	92.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.3	-44.8	167.8	0	0	0	0	0	111.6	W105 V187 H188 E189 L194 G195 L196	W105-G191 VanDerWaalsContact CZ2-CA 3.45Å; V187-G191 PolarHBondContact O-N 2.86Å; V187-G191 VanDerWaalsContact O-N 3.16Å; H188-G191 WeakPolarHBondContact O-CA 3.34Å; H188-G191 PolarHBondContact O-N 2.57Å; E189-G191 PolarHBondContact O-N 3.5Å; G191-L194 CarbonylContact O-C 3.57Å; G191-L194 PolarHBondContact O-N 2.92Å; G191-G195 PolarHBondContact O-N 2.93Å; G191-G195 VanDerWaalsContact O-N 3.1Å; G191-L196 WeakPolarHBondContact O-CB 3.06Å; G191-L196 PolarHBondContact O-N 2.82Å
192	H	92.4	Very high	91.5	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-64.5	-46.9	174.1	-67.9	-48.8	0	0	0	112.7	L59 A151 F153 H188 E189 F190 L194 G195 L196 H198 M206	L59-H192 HydrophobicContact CD1-CB 4Å; L59-H192 VanDerWaalsContact CD1-CG 3.49Å; A151-H192 HydrophobicContact CB-CB 3.98Å; F153-H192 AromaticContact CZ-ND1 3.86Å; H188-H192 AromaticContact CD2-CD2 3.79Å; H188-H192 AromaticContact CD2-NE2 3.68Å; H188-H192 AromaticContact CE1-NE2 3.98Å; H188-H192 AromaticContact NE2-CD2 3.73Å; H188-H192 AromaticContact NE2-NE2 3.13Å; H188-H192 PolarHBondContact NE2-NE2 3.1Å; H188-H192 VanDerWaalsContact NE2-NE2 3.13Å; H188-H192 PolarHBondContact O-N 2.99Å; E189-H192 WeakPolarHBondContact O-CB 3.49Å; E189-H192 PolarHBondContact O-N 3.32Å; E189-H192 VanDerWaalsContact O-N 3.09Å; E189-H192 IonicContact OE2-CD2 3.59Å; F190-H192 VanDerWaalsContact C-N 3.31Å; F190-H192 PolarHBondContact O-N 2.88Å; H192-L194 PolarHBondContact O-N 3.45Å; H192-G195 PolarHBondContact O-N 3.46Å; H192-L196 WeakPolarHBondContact CA-O 3.42Å; H192-L196 PolarHBondContact ND1-O 3.26Å; H192-H198 AromaticContact CE1-CD2 3.4Å; H192-H198 PolarHBondContact CE1-CD2 3.26Å; H192-H198 VanDerWaalsContact CE1-CD2 3.4Å; H192-H198 AromaticContact CE1-NE2 3.73Å; H192-H198 AromaticContact NE2-CD2 3.31Å; H192-H198 PolarHBondContact NE2-CD2 3.23Å; H192-H198 VanDerWaalsContact NE2-CD2 3.31Å; H192-H198 AromaticContact NE2-NE2 3.26Å; H192-H198 PolarHBondContact NE2-NE2 3.38Å; H192-M206 VanDerWaalsContact CE1-CE 3.47Å; H192-M206 WeakPolarHBondContact CE1-CE 3.47Å
193	A	95.1	Very high	91.1	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.8	-18.8	175.2	0	0	0	0	0	113	W71 I126 A151 P154 E189 F190	W71-A193 PolarHBondContact NE1-O 3.15Å; I126-A193 HydrophobicContact CD1-CB 4.22Å; I126-A193 HydrophobicContact CG1-CB 4.37Å; A151-A193 HydrophobicContact CB-CB 4.25Å; P154-A193 WeakPolarHBondContact CG-O 3.44Å; E189-A193 PolarHBondContact O-N 3.5Å; F190-A193 PolarHBondContact O-N 3.08Å
194	L	95.1	Very high	90.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-5.1	174.4	-67.6	172.8	0	0	0	114	L76 W105 L111 F113 F190 G191 H192 I230 Y234	L76-L194 HydrophobicContact CD1-CD2 3.6Å; W105-L194 HydrophobicContact CB-CD1 3.53Å; W105-L194 HydrophobicContact CD2-CD1 4.03Å; W105-L194 HydrophobicContact CG-CD1 3.5Å; W105-L194 VanDerWaalsContact CG-CD1 3.5Å; L111-L194 HydrophobicContact CD1-CD1 3.99Å; L111-L194 HydrophobicContact CD1-CD2 3.84Å; L111-L194 HydrophobicContact CD1-CG 4.47Å; F113-L194 HydrophobicContact CE1-CD2 4.02Å; F113-L194 HydrophobicContact CZ-CD1 4.06Å; F113-L194 HydrophobicContact CZ-CD2 3.9Å; F190-L194 VanDerWaalsContact O-CB 3.31Å; F190-L194 WeakPolarHBondContact O-CB 3.49Å; F190-L194 WeakPolarHBondContact O-CD1 3.47Å; F190-L194 WeakPolarHBondContact O-CG 3.3Å; F190-L194 PolarHBondContact O-N 2.87Å; G191-L194 CarbonylContact O-C 3.57Å; G191-L194 PolarHBondContact O-N 2.92Å; H192-L194 PolarHBondContact O-N 3.45Å; L194-I230 HydrophobicContact CB-CD1 3.94Å; L194-I230 HydrophobicContact CD1-CD1 4.17Å; L194-Y234 HydrophobicContact CB-CE2 4.38Å; L194-Y234 VanDerWaalsContact O-CE2 3.23Å; L194-Y234 WeakPolarHBondContact O-CE2 3.06Å; L194-Y234 PolarHBondContact O-OH 3.05Å
195	G	85.8	Confident	90.8	Very high	6 Å²	6	20.1 Å²	20.1	6%	0.062	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.1	1.6	174.3	0	0	0	0	0	116	L69 G191 H192	L69-G195 WeakPolarHBondContact O-CA 3.43Å; G191-G195 PolarHBondContact O-N 2.93Å; G191-G195 VanDerWaalsContact O-N 3.1Å; H192-G195 PolarHBondContact O-N 3.46Å
196	L	87.3	Confident	90.7	Very high	10 Å²	10	19.9 Å²	19.9	5%	0.052	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-82.7	142.1	-179.5	-58.9	-177.7	0	0	0	111.7	W105 F153 G191 H192 M206 A229 I230 L233	W105-L196 HydrophobicContact CE3-CD1 4.12Å; W105-L196 HydrophobicContact CH2-CD1 3.31Å; W105-L196 HydrophobicContact CZ2-CD1 4.23Å; W105-L196 HydrophobicContact CZ3-CD1 3.23Å; F153-L196 WeakPolarHBondContact CE1-O 3.24Å; G191-L196 WeakPolarHBondContact O-CB 3.06Å; G191-L196 PolarHBondContact O-N 2.82Å; H192-L196 WeakPolarHBondContact CA-O 3.42Å; H192-L196 PolarHBondContact ND1-O 3.26Å; L196-M206 HydrophobicContact CB-CE 4.03Å; L196-M206 HydrophobicContact CB-CG 4.45Å; L196-M206 HydrophobicContact CB-SD 4.44Å; L196-M206 HydrophobicContact CD1-CG 4.28Å; L196-M206 HydrophobicContact CD1-SD 4.46Å; L196-A229 HydrophobicContact CD2-CB 3.77Å; L196-I230 HydrophobicContact CD1-CB 4.24Å; L196-I230 HydrophobicContact CD1-CD1 4.21Å; L196-I230 HydrophobicContact CD2-CD1 4.45Å; L196-I230 HydrophobicContact CG-CD1 4.26Å; L196-L233 HydrophobicContact CD2-CD1 3.69Å; L196-L233 HydrophobicContact CD2-CG 4.44Å; L196-L233 HydrophobicContact CG-CD1 4.48Å
197	S	83.9	Confident	90.4	Very high	42 Å²	42	21.2 Å²	21.2	29%	0.294	13%	0.127	S	C	.	.	P	Polyproline II helix	trans	-91.9	171.3	171.5	-62	0	0	0	0	111.2	L66	L66-S197 WeakPolarHBondContact CB-OG 3.36Å; L66-S197 PolarHBondContact O-OG 2.78Å
198	H	86.9	Confident	90	Very high	17 Å²	17	21.4 Å²	21.4	8%	0.079	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-58.3	142.3	169.8	-71.5	154.1	0	0	0	112.2	F35 C57 L59 D61 H188 H192 M206	F35-H198 HydrophobicContact CE1-CB 4.16Å; F35-H198 HydrophobicContact CZ-CB 3.88Å; C57-H198 WeakPolarHBondContact CB-NE2 3.2Å; L59-H198 PolarHBondContact O-CE1 2.88Å; D61-H198 IonicContact OD1-CE1 2.83Å; D61-H198 PolarHBondContact OD1-CE1 2.71Å; D61-H198 IonicContact OD1-CG 3.34Å; D61-H198 IonicContact OD1-ND1 2.87Å; D61-H198 PolarHBondContact OD1-ND1 2.63Å; H188-H198 AromaticContact CE1-CD2 3.51Å; H188-H198 AromaticContact CE1-NE2 3.67Å; H188-H198 AromaticContact NE2-CD2 3.53Å; H188-H198 AromaticContact NE2-NE2 3.3Å; H188-H198 PolarHBondContact NE2-NE2 3.36Å; H192-H198 AromaticContact CE1-CD2 3.4Å; H192-H198 PolarHBondContact CE1-CD2 3.26Å; H192-H198 VanDerWaalsContact CE1-CD2 3.4Å; H192-H198 AromaticContact CE1-NE2 3.73Å; H192-H198 AromaticContact NE2-CD2 3.31Å; H192-H198 PolarHBondContact NE2-CD2 3.23Å; H192-H198 VanDerWaalsContact NE2-CD2 3.31Å; H192-H198 AromaticContact NE2-NE2 3.26Å; H192-H198 PolarHBondContact NE2-NE2 3.38Å; H198-M206 CarbonylContact C-O 3.51Å; H198-M206 WeakPolarHBondContact CA-O 3.39Å
199	S	83.4	Confident	89.7	Confident	18 Å²	18	21.3 Å²	21.3	13%	0.126	13%	0.127	C	C	.	.			trans	-107.1	148.4	172	-176.9	0	0	0	0	110.9	T201 S204 M206 R207 D225	S199-T201 WeakPolarHBondContact OG-CB 3.23Å; S199-T201 PolarHBondContact OG-N 3.16Å; S199-T201 PolarHBondContact OG-OG1 3.42Å; S199-S204 VanDerWaalsContact CB-OG 3.31Å; S199-S204 WeakPolarHBondContact CB-OG 3.35Å; S199-M206 PolarHBondContact N-O 3.39Å; S199-R207 WeakPolarHBondContact O-CA 3.41Å; S199-D225 WeakPolarHBondContact CB-OD2 3.41Å; S199-D225 PolarHBondContact OG-OD2 3.38Å
200	S	79.6	Confident	89.5	Confident	61 Å²	61	23.4 Å²	23.4	43%	0.427	14%	0.136	S	C	.	.			trans	-93.6	-3.5	169.1	60.8	0	0	0	0	112.9	F35	F35-S200 WeakPolarHBondContact O-CB 3.32Å
201	T	79.1	Confident	89	Confident	59 Å²	59	27.7 Å²	27.7	36%	0.362	16%	0.155	S	C	.	.	S	Bend	trans	-76.1	132.4	-174.7	-58.2	0	0	0	0	110.7	S199 S204 R207 D225	S199-T201 WeakPolarHBondContact OG-CB 3.23Å; S199-T201 PolarHBondContact OG-N 3.16Å; S199-T201 PolarHBondContact OG-OG1 3.42Å; T201-S204 WeakPolarHBondContact O-CB 3.43Å; T201-S204 PolarHBondContact O-N 3.1Å; T201-R207 VanDerWaalsContact O-CD 3.22Å; T201-R207 WeakPolarHBondContact O-CD 3.04Å; T201-R207 VanDerWaalsContact O-CG 3.27Å; T201-R207 WeakPolarHBondContact O-CG 3.16Å; T201-D225 HydrophobicContact CG2-CB 4.06Å; T201-D225 PolarHBondContact OG1-OD1 3.01Å
202	D	81.3	Confident	88.7	Confident	108 Å²	108	28.5 Å²	28.5	58%	0.578	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	123.7	170.4	-163.4	-26.4	0	0	0	108.7	R207	D202-R207 IonicContact OD1-NH1 3.44Å; D202-R207 IonicContact OD2-CZ 3.13Å; D202-R207 IonicContact OD2-NH1 2.69Å; D202-R207 PolarHBondContact OD2-NH1 3.4Å
203	P	86.6	Confident	88.6	Confident	69 Å²	69	31 Å²	31	45%	0.448	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	cis	-108	60.3	11.5	39.1	-31.3	0	0	0	114.8	D223	P203-D223 VanDerWaalsContact O-OD2 3.11Å
204	S	90.6	Very high	88.2	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.195	C	C	.	.			trans	-63.9	139.2	175.7	163.3	0	0	0	0	111.9	S199 T201 M206 R207 Q211 D226	S199-S204 VanDerWaalsContact CB-OG 3.31Å; S199-S204 WeakPolarHBondContact CB-OG 3.35Å; T201-S204 WeakPolarHBondContact O-CB 3.43Å; T201-S204 PolarHBondContact O-N 3.1Å; S204-M206 PolarHBondContact O-N 3.47Å; S204-M206 WeakPolarHBondContact OG-CA 3.49Å; S204-M206 WeakPolarHBondContact OG-CB 3.36Å; S204-M206 PolarHBondContact OG-N 2.9Å; S204-R207 WeakPolarHBondContact O-CG 3.28Å; S204-R207 PolarHBondContact O-N 2.82Å; S204-Q211 PolarHBondContact O-NE2 3.32Å; S204-D226 WeakPolarHBondContact CA-OD2 3.26Å; S204-D226 WeakPolarHBondContact CB-OD1 3.49Å; S204-D226 PolarHBondContact OG-OD1 3.23Å
205	I	95.6	Very high	87.7	Confident	11 Å²	11	35.3 Å²	35.3	6%	0.056	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-26.6	170.9	-162	53.5	0	0	0	111.6	W105 T184 V187 H188 R207 V214 Y220 L222 D226	W105-I205 HydrophobicContact CH2-CG2 4.15Å; W105-I205 HydrophobicContact CZ2-CG2 4.11Å; T184-I205 HydrophobicContact CG2-CD1 3.9Å; V187-I205 HydrophobicContact CB-CG1 4.03Å; V187-I205 HydrophobicContact CG1-CB 4.38Å; V187-I205 HydrophobicContact CG1-CG1 3.68Å; V187-I205 HydrophobicContact CG1-CG2 3.93Å; H188-I205 HydrophobicContact CB-CG1 4.46Å; H188-I205 PolarHBondContact ND1-O 2.93Å; I205-R207 PolarHBondContact O-N 3.37Å; I205-V214 HydrophobicContact CD1-CG1 3.72Å; I205-Y220 WeakPolarHBondContact CB-OH 3.44Å; I205-L222 HydrophobicContact CG2-CD2 4.02Å; I205-D226 HydrophobicContact CG2-CB 4.33Å; I205-D226 PolarHBondContact N-OD2 3.13Å
206	M	93.9	Very high	87.7	Confident	3 Å²	3	38 Å²	38	2%	0.015	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	8.2	175.9	-60.1	-53.3	-56.4	0	0	113.3	W105 H188 H192 L196 H198 S199 S204 D226	W105-M206 HydrophobicContact CH2-CG 4.14Å; W105-M206 HydrophobicContact CH2-SD 3.9Å; W105-M206 HydrophobicContact CZ2-SD 3.84Å; H188-M206 WeakPolarHBondContact O-CE 3.22Å; H192-M206 VanDerWaalsContact CE1-CE 3.47Å; H192-M206 WeakPolarHBondContact CE1-CE 3.47Å; L196-M206 HydrophobicContact CB-CE 4.03Å; L196-M206 HydrophobicContact CB-CG 4.45Å; L196-M206 HydrophobicContact CB-SD 4.44Å; L196-M206 HydrophobicContact CD1-CG 4.28Å; L196-M206 HydrophobicContact CD1-SD 4.46Å; H198-M206 CarbonylContact C-O 3.51Å; H198-M206 WeakPolarHBondContact CA-O 3.39Å; S199-M206 PolarHBondContact N-O 3.39Å; S204-M206 PolarHBondContact O-N 3.47Å; S204-M206 WeakPolarHBondContact OG-CA 3.49Å; S204-M206 WeakPolarHBondContact OG-CB 3.36Å; S204-M206 PolarHBondContact OG-N 2.9Å; M206-D226 WeakPolarHBondContact CG-OD1 3.27Å; M206-D226 PolarHBondContact N-OD1 3.04Å
207	R	92.9	Very high	87.7	Confident	28 Å²	28	38.1 Å²	38.1	11%	0.106	23%	0.228	C	C	.	.			trans	-63.9	137.9	167.4	-71.1	-176.9	77.9	-174.1	11.4	110.2	G36 H188 S199 T201 D202 S204 I205 Y209	G36-R207 PolarHBondContact O-NH2 2.75Å; G36-R207 VanDerWaalsContact O-NH2 3.1Å; H188-R207 PolarHBondContact CE1-O 2.9Å; H188-R207 PolarHBondContact ND1-O 3.15Å; S199-R207 WeakPolarHBondContact O-CA 3.41Å; T201-R207 VanDerWaalsContact O-CD 3.22Å; T201-R207 WeakPolarHBondContact O-CD 3.04Å; T201-R207 VanDerWaalsContact O-CG 3.27Å; T201-R207 WeakPolarHBondContact O-CG 3.16Å; D202-R207 IonicContact OD1-NH1 3.44Å; D202-R207 IonicContact OD2-CZ 3.13Å; D202-R207 IonicContact OD2-NH1 2.69Å; D202-R207 PolarHBondContact OD2-NH1 3.4Å; S204-R207 WeakPolarHBondContact O-CG 3.28Å; S204-R207 PolarHBondContact O-N 2.82Å; I205-R207 PolarHBondContact O-N 3.37Å; R207-Y209 VanDerWaalsContact C-N 3.31Å; R207-Y209 PolarHBondContact O-N 2.58Å
208	P	90.4	Very high	87.6	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.019	24%	0.237	C	C	.	.	S	Bend	trans	-66.8	-33.5	-175.5	22.2	-31.7	0	0	0	113.1	F35 R56 C57 D61	F35-P208 HydrophobicContact CD1-CG 4.24Å; F35-P208 HydrophobicContact CE1-CG 3.82Å; R56-P208 CarbonylContact C-O 3.6Å; R56-P208 WeakPolarHBondContact CA-O 3.39Å; R56-P208 WeakPolarHBondContact CB-O 3.46Å; R56-P208 VanDerWaalsContact NH2-CB 3.34Å; C57-P208 PolarHBondContact N-O 3.07Å; D61-P208 VanDerWaalsContact OD1-CB 3.28Å; D61-P208 WeakPolarHBondContact OD1-CB 3.33Å; D61-P208 WeakPolarHBondContact OD1-CG 3.37Å
209	Y	91.5	Very high	87.5	Confident	10 Å²	10	45.2 Å²	45.2	4%	0.039	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-82.7	133.9	-176.6	-52.8	-79.6	0	0	0	110.6	W2 L51 R56 R207 Q211	W2-Y209 HydrophobicContact CH2-CE1 4.35Å; W2-Y209 WeakPolarHBondContact CH2-OH 3.41Å; W2-Y209 HydrophobicContact CZ2-CE1 4.09Å; L51-Y209 HydrophobicContact CD1-CD1 3.92Å; L51-Y209 HydrophobicContact CD1-CD2 3.83Å; L51-Y209 HydrophobicContact CD1-CE1 3.86Å; L51-Y209 HydrophobicContact CD1-CE2 3.8Å; L51-Y209 HydrophobicContact CD1-CG 3.9Å; L51-Y209 HydrophobicContact CD2-CE1 4.48Å; L51-Y209 HydrophobicContact CD2-CE2 4.23Å; L51-Y209 HydrophobicContact CG-CD1 4.29Å; L51-Y209 HydrophobicContact CG-CE1 3.75Å; L51-Y209 HydrophobicContact CG-CE2 4.13Å; L51-Y209 WeakPolarHBondContact O-CE1 3.17Å; R56-Y209 HydrophobicContact CB-CD1 4.28Å; R207-Y209 VanDerWaalsContact C-N 3.31Å; R207-Y209 PolarHBondContact O-N 2.58Å; Y209-Q211 PolarHBondContact O-N 2.89Å
210	Y	93.4	Very high	87.9	Confident	46 Å²	46	45.6 Å²	45.6	18%	0.18	26%	0.264	C	S	.	.			trans	-67.3	122.4	177.5	178.8	-114.3	0	0	0	111	P55 L148 T180 D181 T184 V185 G212	P55-Y210 WeakPolarHBondContact O-CB 3.32Å; P55-Y210 PolarHBondContact O-N 3.33Å; L148-Y210 HydrophobicContact CD1-CD1 4.36Å; L148-Y210 HydrophobicContact CD1-CD2 3.94Å; L148-Y210 HydrophobicContact CD1-CG 3.71Å; T180-Y210 HydrophobicContact CG2-CE2 4.34Å; D181-Y210 HydrophobicContact CB-CE2 4.49Å; D181-Y210 VanDerWaalsContact CB-OH 3.26Å; D181-Y210 WeakPolarHBondContact CB-OH 3.45Å; D181-Y210 PolarHBondContact N-OH 3.36Å; T184-Y210 HydrophobicContact CG2-CD2 4.27Å; T184-Y210 HydrophobicContact CG2-CE2 3.92Å; V185-Y210 HydrophobicContact CG2-CD2 4.05Å; V185-Y210 HydrophobicContact CG2-CE2 4.1Å; Y210-G212 VanDerWaalsContact CZ-CA 3.45Å
211	Q	88.4	Confident	88.5	Confident	89 Å²	89	50.6 Å²	50.6	42%	0.416	28%	0.278	S	S	.	.			trans	-100.9	2.9	-175	-66.9	170.7	99.8	0	0	113.1	S204 Y209	S204-Q211 PolarHBondContact O-NE2 3.32Å; Y209-Q211 PolarHBondContact O-N 2.89Å
212	G	89.6	Confident	89.1	Confident	17 Å²	17	48.6 Å²	48.6	18%	0.175	27%	0.265	C	S	.	.			trans	88.4	-178	-172.8	0	0	0	0	0	113.3	T184 Y210	T184-G212 WeakPolarHBondContact CG2-O 3.43Å; Y210-G212 VanDerWaalsContact CZ-CA 3.45Å
213	P	90.4	Very high	89.6	Confident	54 Å²	54	46.7 Å²	46.7	35%	0.351	25%	0.254	S	S	.	.			trans	-62	135	-176.8	-17.5	27.2	0	0	0	113.3	D181 T184 G215	D181-P213 HydrophobicContact CB-CB 4.04Å; D181-P213 HydrophobicContact CB-CG 3.96Å; T184-P213 WeakPolarHBondContact OG1-CA 3.33Å; P213-G215 PolarHBondContact O-N 3.49Å
214	V	87.4	Confident	89.3	Confident	50 Å²	50	48.3 Å²	48.3	30%	0.303	26%	0.258	S	S	.	.			trans	-80.6	16	178	-63.4	0	0	0	0	115	F183 T184 I205 Y220	F183-V214 HydrophobicContact CD1-CG2 3.61Å; F183-V214 HydrophobicContact CE1-CG2 3.54Å; T184-V214 HydrophobicContact CG2-CG1 3.93Å; T184-V214 PolarHBondContact OG1-N 2.92Å; I205-V214 HydrophobicContact CD1-CG1 3.72Å; V214-Y220 HydrophobicContact CB-CD2 3.7Å; V214-Y220 HydrophobicContact CB-CE2 3.62Å; V214-Y220 HydrophobicContact CG1-CE2 3.98Å; V214-Y220 HydrophobicContact CG2-CD2 3.46Å; V214-Y220 VanDerWaalsContact CG2-CD2 3.46Å; V214-Y220 HydrophobicContact CG2-CE2 3.67Å; V214-Y220 HydrophobicContact CG2-CG 4.09Å
215	G	84.1	Confident	89	Confident	40 Å²	40	51 Å²	51	41%	0.412	27%	0.273	S	S	.	.	S	Bend	trans	88.4	-133.9	177.4	0	0	0	0	0	114	P213 V217	P213-G215 PolarHBondContact O-N 3.49Å; G215-V217 PolarHBondContact O-N 3.47Å
216	D	84.9	Confident	88.8	Confident	64 Å²	64	50.5 Å²	50.5	34%	0.342	27%	0.271	S	S	.	.			trans	-80.4	105.7	-175.8	-166.4	-30.1	0	0	0	111.6	R174 S218 Q219 Y220	R174-D216 IonicContact NH2-OD1 2.9Å; R174-D216 PolarHBondContact NH2-OD1 3.26Å; R174-D216 IonicContact NH2-OD2 3.29Å; R174-D216 PolarHBondContact NH2-OD2 3.39Å; D216-S218 PolarHBondContact O-N 3.4Å; D216-S218 WeakPolarHBondContact OD1-CB 3.17Å; D216-S218 PolarHBondContact OD1-N 2.78Å; D216-S218 PolarHBondContact OD1-OG 3.47Å; D216-Q219 HydrophobicContact CB-CB 4.4Å; D216-Q219 CarbonylContact O-C 3.56Å; D216-Q219 PolarHBondContact O-N 3.48Å; D216-Y220 PolarHBondContact O-N 2.9Å
217	V	87.3	Confident	88.7	Confident	11 Å²	11	55.7 Å²	55.7	7%	0.067	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-28.6	178	-54.2	0	0	0	0	114.8	L97 L100 F183 G215	L97-V217 HydrophobicContact CD2-CG1 4.28Å; L97-V217 HydrophobicContact CD2-CG2 4.43Å; L100-V217 HydrophobicContact CD1-CB 4.29Å; L100-V217 HydrophobicContact CD1-CG2 3.84Å; F183-V217 HydrophobicContact CB-CG1 3.75Å; F183-V217 HydrophobicContact CD1-CB 4.09Å; F183-V217 HydrophobicContact CD1-CG1 3.55Å; F183-V217 HydrophobicContact CD2-CB 3.87Å; F183-V217 HydrophobicContact CD2-CG1 3.85Å; F183-V217 HydrophobicContact CE1-CB 4.13Å; F183-V217 HydrophobicContact CE1-CG1 4.05Å; F183-V217 HydrophobicContact CE2-CB 3.92Å; F183-V217 HydrophobicContact CE2-CG1 4.32Å; F183-V217 HydrophobicContact CG-CB 3.95Å; F183-V217 HydrophobicContact CG-CG1 3.41Å; F183-V217 VanDerWaalsContact CG-CG1 3.41Å; F183-V217 HydrophobicContact CZ-CB 4.04Å; F183-V217 HydrophobicContact CZ-CG1 4.41Å; G215-V217 PolarHBondContact O-N 3.47Å
218	S	81.7	Confident	88.1	Confident	69 Å²	69	58.9 Å²	58.9	48%	0.483	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-21.2	-179.1	69.6	0	0	0	0	113.7	D216	D216-S218 PolarHBondContact O-N 3.4Å; D216-S218 WeakPolarHBondContact OD1-CB 3.17Å; D216-S218 PolarHBondContact OD1-N 2.78Å; D216-S218 PolarHBondContact OD1-OG 3.47Å
219	Q	86.1	Confident	87.9	Confident	139 Å²	139	60.3 Å²	60.3	65%	0.65	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-1	-179.9	-60.9	-56.9	-59	0	0	112.2	D216 K221	D216-Q219 HydrophobicContact CB-CB 4.4Å; D216-Q219 CarbonylContact O-C 3.56Å; D216-Q219 PolarHBondContact O-N 3.48Å; Q219-K221 PolarHBondContact O-N 2.72Å
220	Y	90.9	Very high	87.8	Confident	27 Å²	27	59.8 Å²	59.8	11%	0.106	32%	0.318	C	S	.	.			trans	-59	134.3	-179.5	177.5	-101.1	0	0	0	110.6	A104 F183 V187 I205 V214 D216 L222	A104-Y220 HydrophobicContact CB-CD1 3.84Å; A104-Y220 HydrophobicContact CB-CE1 3.94Å; F183-Y220 AromaticContact CE1-CD1 3.81Å; F183-Y220 HydrophobicContact CE1-CD1 3.81Å; F183-Y220 HydrophobicContact CE1-CD2 4.34Å; F183-Y220 AromaticContact CE1-CG 3.7Å; F183-Y220 HydrophobicContact CE1-CG 3.7Å; F183-Y220 AromaticContact CZ-CD1 3.76Å; F183-Y220 HydrophobicContact CZ-CD1 3.76Å; F183-Y220 AromaticContact CZ-CG 3.95Å; F183-Y220 HydrophobicContact CZ-CG 3.95Å; V187-Y220 HydrophobicContact CG1-CE1 3.81Å; V187-Y220 HydrophobicContact CG2-CD1 4.41Å; V187-Y220 HydrophobicContact CG2-CE1 4.12Å; I205-Y220 WeakPolarHBondContact CB-OH 3.44Å; V214-Y220 HydrophobicContact CB-CD2 3.7Å; V214-Y220 HydrophobicContact CB-CE2 3.62Å; V214-Y220 HydrophobicContact CG1-CE2 3.98Å; V214-Y220 HydrophobicContact CG2-CD2 3.46Å; V214-Y220 VanDerWaalsContact CG2-CD2 3.46Å; V214-Y220 HydrophobicContact CG2-CE2 3.67Å; V214-Y220 HydrophobicContact CG2-CG 4.09Å; D216-Y220 PolarHBondContact O-N 2.9Å; Y220-L222 HydrophobicContact CE1-CD2 4.05Å
221	K	91.4	Very high	87.7	Confident	166 Å²	166	60 Å²	60	72%	0.722	32%	0.321	S	S	*	.			trans	-131.5	141.6	175.1	-66.8	-174.6	-178.9	-174.8	0	108.1	Q219	Q219-K221 PolarHBondContact O-N 2.72Å
222	L	93.5	Very high	87.6	Confident	17 Å²	17	63.8 Å²	63.8	9%	0.089	34%	0.339	C	S	.	.			trans	-59.9	137.8	173.6	-66.1	172.9	0	0	0	110.5	A104 W105 A108 V187 I205 Y220 D226 R227 I230	A104-L222 HydrophobicContact CB-CG 4.48Å; A104-L222 VanDerWaalsContact O-CD1 3.3Å; A104-L222 WeakPolarHBondContact O-CD1 3.34Å; W105-L222 HydrophobicContact CD2-CD1 3.93Å; W105-L222 HydrophobicContact CD2-CD2 4.33Å; W105-L222 HydrophobicContact CE3-CD1 3.3Å; W105-L222 HydrophobicContact CE3-CD2 4.17Å; W105-L222 HydrophobicContact CE3-CG 4.38Å; W105-L222 HydrophobicContact CH2-CD1 4.27Å; W105-L222 HydrophobicContact CH2-CD2 3.83Å; W105-L222 HydrophobicContact CZ2-CD2 4.02Å; W105-L222 HydrophobicContact CZ3-CD1 3.48Å; W105-L222 VanDerWaalsContact CZ3-CD1 3.48Å; W105-L222 HydrophobicContact CZ3-CD2 3.91Å; W105-L222 HydrophobicContact CZ3-CG 4.34Å; A108-L222 HydrophobicContact CB-CD1 3.87Å; V187-L222 HydrophobicContact CG1-CD2 4.04Å; I205-L222 HydrophobicContact CG2-CD2 4.02Å; Y220-L222 HydrophobicContact CE1-CD2 4.05Å; L222-D226 HydrophobicContact CB-CB 4.16Å; L222-D226 HydrophobicContact CD2-CB 4.17Å; L222-R227 HydrophobicContact CB-CB 4.28Å; L222-I230 HydrophobicContact CD1-CG2 4.47Å
223	D	89.9	Confident	87.3	Confident	67 Å²	67	64.6 Å²	64.6	36%	0.358	34%	0.339	S	S	.	.			trans	-66.8	164.3	172.4	-90.3	-64.3	0	0	0	111.2	P203 D225 D226 R227	P203-D223 VanDerWaalsContact O-OD2 3.11Å; D223-D225 VanDerWaalsContact C-N 3.25Å; D223-D225 PolarHBondContact O-N 3.42Å; D223-D226 PolarHBondContact O-N 3.06Å; D223-R227 WeakPolarHBondContact O-CB 3.15Å; D223-R227 PolarHBondContact O-N 3.31Å
224	L	81.1	Confident	87.3	Confident	103 Å²	103	63.3 Å²	63.3	54%	0.539	33%	0.327	S	S	.	.	H	α-helix	trans	-55.8	-41.4	-171.3	179.6	63.4	0	0	0	112.5	R227 L228	L224-R227 VanDerWaalsContact CD1-NH2 3.3Å; L224-L228 HydrophobicContact CD1-CD1 3.86Å; L224-L228 HydrophobicContact CD1-CG 3.98Å; L224-L228 HydrophobicContact CG-CD1 3.95Å; L224-L228 HydrophobicContact CG-CG 4.41Å; L224-L228 WeakPolarHBondContact O-CB 3.47Å; L224-L228 VanDerWaalsContact O-CG 3.24Å; L224-L228 WeakPolarHBondContact O-CG 3.46Å; L224-L228 PolarHBondContact O-N 3.4Å
225	D	83.5	Confident	87.3	Confident	57 Å²	57	62.4 Å²	62.4	31%	0.305	33%	0.328	S	S	.	.	H	α-helix	trans	-61.1	-52.1	179.9	-167.2	66.2	0	0	0	111.4	S199 T201 D223 R227 L228 A229	S199-D225 WeakPolarHBondContact CB-OD2 3.41Å; S199-D225 PolarHBondContact OG-OD2 3.38Å; T201-D225 HydrophobicContact CG2-CB 4.06Å; T201-D225 PolarHBondContact OG1-OD1 3.01Å; D223-D225 VanDerWaalsContact C-N 3.25Å; D223-D225 PolarHBondContact O-N 3.42Å; D225-R227 PolarHBondContact O-N 2.68Å; D225-L228 PolarHBondContact O-N 3.45Å; D225-A229 WeakPolarHBondContact O-CB 3.19Å; D225-A229 PolarHBondContact O-N 3.11Å
226	D	92.3	Very high	87.6	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-42.3	-179.1	-54.7	-49.5	0	0	0	111.9	W105 S204 I205 M206 L222 D223 A229 I230	W105-D226 HydrophobicContact CH2-CB 4.13Å; W105-D226 HydrophobicContact CZ3-CB 4.26Å; S204-D226 WeakPolarHBondContact CA-OD2 3.26Å; S204-D226 WeakPolarHBondContact CB-OD1 3.49Å; S204-D226 PolarHBondContact OG-OD1 3.23Å; I205-D226 HydrophobicContact CG2-CB 4.33Å; I205-D226 PolarHBondContact N-OD2 3.13Å; M206-D226 WeakPolarHBondContact CG-OD1 3.27Å; M206-D226 PolarHBondContact N-OD1 3.04Å; L222-D226 HydrophobicContact CB-CB 4.16Å; L222-D226 HydrophobicContact CD2-CB 4.17Å; D223-D226 PolarHBondContact O-N 3.06Å; D226-A229 PolarHBondContact O-N 2.86Å; D226-I230 PolarHBondContact O-N 3.3Å
227	R	91	Very high	87.4	Confident	112 Å²	112	62.2 Å²	62.2	42%	0.423	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-45.3	178	-178.4	174.3	60.4	149.1	1.2	111.6	A108 L222 D223 L224 D225 A229 I230 Q231	A108-R227 HydrophobicContact CB-CG 4Å; L222-R227 HydrophobicContact CB-CB 4.28Å; D223-R227 WeakPolarHBondContact O-CB 3.15Å; D223-R227 PolarHBondContact O-N 3.31Å; L224-R227 VanDerWaalsContact CD1-NH2 3.3Å; D225-R227 PolarHBondContact O-N 2.68Å; R227-A229 VanDerWaalsContact C-N 3.32Å; R227-I230 WeakPolarHBondContact O-CG2 3.5Å; R227-Q231 VanDerWaalsContact O-CB 3.31Å; R227-Q231 WeakPolarHBondContact O-CB 3.41Å; R227-Q231 WeakPolarHBondContact O-CG 3.34Å; R227-Q231 PolarHBondContact O-N 3.22Å; R227-Q231 VanDerWaalsContact O-N 3.12Å
228	L	82.1	Confident	86.6	Confident	95 Å²	95	66.8 Å²	66.8	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-66.4	-38.4	177.3	-71.1	176.4	0	0	0	111.2	L224 D225 Q231 Q232	L224-L228 HydrophobicContact CD1-CD1 3.86Å; L224-L228 HydrophobicContact CD1-CG 3.98Å; L224-L228 HydrophobicContact CG-CD1 3.95Å; L224-L228 HydrophobicContact CG-CG 4.41Å; L224-L228 WeakPolarHBondContact O-CB 3.47Å; L224-L228 VanDerWaalsContact O-CG 3.24Å; L224-L228 WeakPolarHBondContact O-CG 3.46Å; L224-L228 PolarHBondContact O-N 3.4Å; D225-L228 PolarHBondContact O-N 3.45Å; L228-Q231 PolarHBondContact O-N 2.73Å; L228-Q232 WeakPolarHBondContact O-CB 3.48Å; L228-Q232 PolarHBondContact O-N 3.26Å
229	A	84.5	Confident	85.6	Confident	32 Å²	32	71.4 Å²	71.4	26%	0.264	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-47.2	179.3	0	0	0	0	0	112.1	L196 D225 D226 R227 Q231 Q232 L233	L196-A229 HydrophobicContact CD2-CB 3.77Å; D225-A229 WeakPolarHBondContact O-CB 3.19Å; D225-A229 PolarHBondContact O-N 3.11Å; D226-A229 PolarHBondContact O-N 2.86Å; R227-A229 VanDerWaalsContact C-N 3.32Å; A229-Q231 VanDerWaalsContact C-N 3.34Å; A229-Q231 PolarHBondContact O-N 3.13Å; A229-Q232 WeakPolarHBondContact O-CB 3.22Å; A229-Q232 PolarHBondContact O-N 3.4Å; A229-L233 PolarHBondContact O-N 3.26Å
230	I	91.2	Very high	83.9	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-67	-37.3	177.6	-164.5	68.5	0	0	0	111.9	W105 A108 A109 L111 L194 L196 L222 D226 R227 Q232 L233 Y234	W105-I230 HydrophobicContact CE3-CB 3.85Å; W105-I230 HydrophobicContact CE3-CD1 4.09Å; W105-I230 HydrophobicContact CE3-CG1 3.86Å; W105-I230 HydrophobicContact CE3-CG2 4.07Å; W105-I230 HydrophobicContact CZ3-CB 3.94Å; W105-I230 HydrophobicContact CZ3-CG1 4.4Å; W105-I230 HydrophobicContact CZ3-CG2 4.24Å; A108-I230 HydrophobicContact CB-CG2 3.88Å; A109-I230 HydrophobicContact CB-CG1 3.86Å; A109-I230 HydrophobicContact CB-CG2 4.26Å; L111-I230 HydrophobicContact CD1-CD1 4.37Å; L111-I230 HydrophobicContact CD1-CG1 4.45Å; L194-I230 HydrophobicContact CB-CD1 3.94Å; L194-I230 HydrophobicContact CD1-CD1 4.17Å; L196-I230 HydrophobicContact CD1-CB 4.24Å; L196-I230 HydrophobicContact CD1-CD1 4.21Å; L196-I230 HydrophobicContact CD2-CD1 4.45Å; L196-I230 HydrophobicContact CG-CD1 4.26Å; L222-I230 HydrophobicContact CD1-CG2 4.47Å; D226-I230 PolarHBondContact O-N 3.3Å; R227-I230 WeakPolarHBondContact O-CG2 3.5Å; I230-Q232 VanDerWaalsContact C-N 3.27Å; I230-Q232 PolarHBondContact O-N 2.91Å; I230-L233 PolarHBondContact O-N 2.6Å; I230-L233 VanDerWaalsContact O-N 3.13Å; I230-Y234 HydrophobicContact CD1-CD2 3.55Å; I230-Y234 HydrophobicContact CD1-CE2 3.59Å; I230-Y234 HydrophobicContact CG1-CD2 3.97Å; I230-Y234 HydrophobicContact CG1-CE2 4.5Å; I230-Y234 PolarHBondContact O-N 2.88Å
231	Q	90.9	Very high	81.7	Confident	50 Å²	50	74.8 Å²	74.8	23%	0.234	39%	0.391	C	S	.	.	H	α-helix	trans	-68.1	-27.4	177.1	-71.6	179.5	-12.5	0	0	112.6	A108 R227 L228 A229 L233 G235 A236	A108-Q231 WeakPolarHBondContact O-CG 3.33Å; A108-Q231 PolarHBondContact O-NE2 2.96Å; R227-Q231 VanDerWaalsContact O-CB 3.31Å; R227-Q231 WeakPolarHBondContact O-CB 3.41Å; R227-Q231 WeakPolarHBondContact O-CG 3.34Å; R227-Q231 PolarHBondContact O-N 3.22Å; R227-Q231 VanDerWaalsContact O-N 3.12Å; L228-Q231 PolarHBondContact O-N 2.73Å; A229-Q231 VanDerWaalsContact C-N 3.34Å; A229-Q231 PolarHBondContact O-N 3.13Å; Q231-L233 VanDerWaalsContact C-N 3.28Å; Q231-L233 PolarHBondContact O-N 3.24Å; Q231-G235 WeakPolarHBondContact CA-O 3.37Å; Q231-G235 CarbonylContact O-C 3.59Å; Q231-G235 WeakPolarHBondContact O-CA 3.31Å; Q231-G235 PolarHBondContact O-N 3.07Å; Q231-A236 HydrophobicContact CG-CB 4.31Å
232	Q	85.7	Confident	79.5	Confident	169 Å²	169	72.7 Å²	72.7	79%	0.79	40%	0.395	S	S	*	.	H	α-helix	trans	-66	-32.9	172.5	-170.8	176.5	10.9	0	0	112	L228 A229 I230	L228-Q232 WeakPolarHBondContact O-CB 3.48Å; L228-Q232 PolarHBondContact O-N 3.26Å; A229-Q232 WeakPolarHBondContact O-CB 3.22Å; A229-Q232 PolarHBondContact O-N 3.4Å; I230-Q232 VanDerWaalsContact C-N 3.27Å; I230-Q232 PolarHBondContact O-N 2.91Å
233	L	84.1	Confident	77	Confident	33 Å²	33	74 Å²	74	17%	0.173	41%	0.412	C	S	.	.	H	α-helix	trans	-81.3	-42.9	179.9	-65.7	-177.8	0	0	0	113	K70 L196 A229 I230 Q231	K70-L233 WeakPolarHBondContact CD-O 3.42Å; K70-L233 PolarHBondContact NZ-O 3.07Å; L196-L233 HydrophobicContact CD2-CD1 3.69Å; L196-L233 HydrophobicContact CD2-CG 4.44Å; L196-L233 HydrophobicContact CG-CD1 4.48Å; A229-L233 PolarHBondContact O-N 3.26Å; I230-L233 PolarHBondContact O-N 2.6Å; I230-L233 VanDerWaalsContact O-N 3.13Å; Q231-L233 VanDerWaalsContact C-N 3.28Å; Q231-L233 PolarHBondContact O-N 3.24Å
234	Y	89	Confident	75.1	Confident	27 Å²	27	72.3 Å²	72.3	11%	0.106	41%	0.411	C	S	.	.	H	α-helix	trans	-118.2	-8	-167.9	-61	-75.1	0	0	0	114.5	K70 W71 P110 L111 L194 I230	K70-Y234 HydrophobicContact CB-CE1 4.23Å; W71-Y234 HydrophobicContact CB-CE1 4.27Å; W71-Y234 PolarHBondContact N-OH 2.85Å; P110-Y234 WeakPolarHBondContact CD-O 3.42Å; P110-Y234 WeakPolarHBondContact CG-O 3.47Å; L111-Y234 HydrophobicContact CD1-CD2 4.02Å; L111-Y234 HydrophobicContact CD1-CE2 4.26Å; L111-Y234 HydrophobicContact CD1-CG 4.29Å; L111-Y234 HydrophobicContact CD2-CD1 3.72Å; L111-Y234 HydrophobicContact CD2-CD2 4.41Å; L111-Y234 HydrophobicContact CD2-CE1 3.93Å; L111-Y234 HydrophobicContact CD2-CG 3.98Å; L111-Y234 HydrophobicContact CG-CD1 4.48Å; L111-Y234 HydrophobicContact CG-CD2 4.47Å; L111-Y234 HydrophobicContact CG-CG 4.25Å; L194-Y234 HydrophobicContact CB-CE2 4.38Å; L194-Y234 VanDerWaalsContact O-CE2 3.23Å; L194-Y234 WeakPolarHBondContact O-CE2 3.06Å; L194-Y234 PolarHBondContact O-OH 3.05Å; I230-Y234 HydrophobicContact CD1-CD2 3.55Å; I230-Y234 HydrophobicContact CD1-CE2 3.59Å; I230-Y234 HydrophobicContact CG1-CD2 3.97Å; I230-Y234 HydrophobicContact CG1-CE2 4.5Å; I230-Y234 PolarHBondContact O-N 2.88Å
235	G	88.9	Confident	73.3	Confident	31 Å²	31	74.2 Å²	74.2	32%	0.32	43%	0.426	S	S	.	.			trans	87.1	168.4	-171	0	0	0	0	0	112.8	P110 Q231	P110-G235 WeakPolarHBondContact CD-O 3.21Å; Q231-G235 WeakPolarHBondContact CA-O 3.37Å; Q231-G235 CarbonylContact O-C 3.59Å; Q231-G235 WeakPolarHBondContact O-CA 3.31Å; Q231-G235 PolarHBondContact O-N 3.07Å
236	A	88.6	Confident	71.4	Confident	64 Å²	64	77 Å²	77	53%	0.529	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-76.9	141.8	170.1	0	0	0	0	0	110.3	Q231 D238	Q231-A236 HydrophobicContact CG-CB 4.31Å; A236-D238 PolarHBondContact O-N 3.06Å
237	R	80.8	Confident	68.9	Low	37 Å²	37	79 Å²	79	14%	0.14	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-65.1	131.3	169.9	-166.7	173.3	-167.2	106.4	13.1	108.9	S106 A108 A109 L111 N112 P242 G243	S106-R237 VanDerWaalsContact O-CD 3.27Å; S106-R237 WeakPolarHBondContact O-CD 3.42Å; S106-R237 PolarHBondContact O-NH1 3.24Å; A108-R237 PolarHBondContact O-N 3.11Å; A109-R237 PolarHBondContact O-NH1 3.24Å; L111-R237 PolarHBondContact O-NH1 2.9Å; L111-R237 VanDerWaalsContact O-NH1 3.11Å; N112-R237 PolarHBondContact OD1-NH2 3.43Å; R237-P242 PolarHBondContact NH2-O 3.13Å; R237-G243 VanDerWaalsContact NH2-CA 3.31Å
238	D	72.2	Confident	66.4	Low	107 Å²	107	81 Å²	81	57%	0.572	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-83.4	126.7	171.6	-163.7	14.7	0	0	0	108.4	A236 T240 Q241	A236-D238 PolarHBondContact O-N 3.06Å; D238-T240 PolarHBondContact O-N 3.42Å; D238-T240 PolarHBondContact OD2-OG1 3.02Å; D238-Q241 PolarHBondContact O-N 3.42Å
239	D	59.5	Low	64.2	Low	165 Å²	165	80.9 Å²	80.9	88%	0.882	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	1.2	-175.3	-75.7	-26.1	0	0	0	113.2
240	T	51.4	Low	61.7	Low	107 Å²	107	83.2 Å²	83.2	66%	0.656	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-11.2	-179.7	62.6	0	0	0	0	114.2	D238	D238-T240 PolarHBondContact O-N 3.42Å; D238-T240 PolarHBondContact OD2-OG1 3.02Å
241	Q	44.9	Very low	59.2	Low	130 Å²	130	91.4 Å²	91.4	61%	0.607	53%	0.534	S	S	*	.	S	Bend	trans	-110.2	126.9	177.1	-70.6	-161.3	-4.4	0	0	113	D238 G243	D238-Q241 PolarHBondContact O-N 3.42Å; Q241-G243 PolarHBondContact O-N 3.43Å
242	P	44.3	Very low	56.2	Low	123 Å²	123	93.1 Å²	93.1	80%	0.799	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-60.1	129.3	179.7	20.2	-27.7	0	0	0	111.6	R237	R237-P242 PolarHBondContact NH2-O 3.13Å
243	G	42	Very low	53.6	Low	44 Å²	44	90.4 Å²	90.4	45%	0.454	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-49.9	147.8	170.9	0	0	0	0	0	112.8	R237 Q241	R237-G243 VanDerWaalsContact NH2-CA 3.31Å; Q241-G243 PolarHBondContact O-N 3.43Å
244	G	49.1	Very low	51	Low	32 Å²	32	95.4 Å²	95.4	33%	0.33	57%	0.569	S	S	.	*	S	Bend	trans	-47.2	148.9	170.5	0	0	0	0	0	112	N246	G244-N246 PolarHBondContact O-N 2.86Å; G244-N246 VanDerWaalsContact O-N 3.12Å
245	V	43.4	Very low	48.2	Very low	142 Å²	142	98.8 Å²	98.8	86%	0.861	59%	0.594	S	S	*	*			trans	-44.4	116.5	-171.3	-166.7	0	0	0	0	110.8	P247	V245-P247 VanDerWaalsContact O-CD 3.24Å; V245-P247 WeakPolarHBondContact O-CD 3.28Å; V245-P247 VanDerWaalsContact O-N 3.16Å
246	N	43.3	Very low	45.3	Very low	116 Å²	116	105.2 Å²	105.2	62%	0.62	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-58	118	169.9	-100.5	-25.9	0	0	0	107.7	K103 G244 D248	K103-N246 WeakPolarHBondContact CE-OD1 3.31Å; G244-N246 PolarHBondContact O-N 2.86Å; G244-N246 VanDerWaalsContact O-N 3.12Å; N246-D248 PolarHBondContact O-N 3.31Å
247	P	41.1	Very low	42.5	Very low	44 Å²	44	107.3 Å²	107.3	29%	0.286	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-66.3	122.6	169.2	26.2	-29.5	0	0	0	107.8	A99 L100 V245 P249	A99-P247 HydrophobicContact CB-CG 4.21Å; L100-P247 HydrophobicContact CD2-CG 4.48Å; V245-P247 VanDerWaalsContact O-CD 3.24Å; V245-P247 WeakPolarHBondContact O-CD 3.28Å; V245-P247 VanDerWaalsContact O-N 3.16Å; P247-P249 VanDerWaalsContact O-CD 3.23Å; P247-P249 WeakPolarHBondContact O-CD 3.44Å
248	D	37.1	Very low	40.1	Very low	154 Å²	154	111.8 Å²	111.8	82%	0.824	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-60.1	116.5	172.5	-90.5	-33.1	0	0	0	108.7	N246 P250	N246-D248 PolarHBondContact O-N 3.31Å; D248-P250 VanDerWaalsContact O-CD 3.31Å; D248-P250 WeakPolarHBondContact O-CD 3.5Å
249	P	35.5	Very low	37.8	Very low	91 Å²	91	117.2 Å²	117.2	59%	0.591	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-76.2	123.2	179.7	-3.1	18	0	0	0	109.8	P247	P247-P249 VanDerWaalsContact O-CD 3.23Å; P247-P249 WeakPolarHBondContact O-CD 3.44Å
250	P	33.8	Very low	36.5	Very low	82 Å²	82	115.2 Å²	115.2	53%	0.532	67%	0.671	S	S	.	*	P	Polyproline II helix	trans	-69.9	141.6	164.6	27.5	-30.1	0	0	0	110.2	D248 F252	D248-P250 VanDerWaalsContact O-CD 3.31Å; D248-P250 WeakPolarHBondContact O-CD 3.5Å; P250-F252 PolarHBondContact O-N 3.44Å
251	L	38.2	Very low	35.4	Very low	172 Å²	172	116 Å²	116	90%	0.901	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-61.9	120.8	176.8	-76.2	156.6	0	0	0	110.7
252	F	28.1	Very low	35	Very low	86 Å²	86	121.6 Å²	121.6	38%	0.377	69%	0.692	S	S	.	*	P	Polyproline II helix	trans	-65	128	-179.8	-62.5	-81.5	0	0	0	112.5	V93 Y173 P250	V93-F252 HydrophobicContact CG1-CE1 4.25Å; V93-F252 HydrophobicContact CG2-CE1 4.29Å; Y173-F252 HydrophobicContact CD2-CE1 4.23Å; Y173-F252 HydrophobicContact CE1-CD1 4.48Å; Y173-F252 AromaticContact CE2-CD1 3.59Å; Y173-F252 HydrophobicContact CE2-CD1 3.59Å; Y173-F252 AromaticContact CE2-CE1 3.56Å; Y173-F252 HydrophobicContact CE2-CE1 3.56Å; Y173-F252 HydrophobicContact CE2-CG 4.14Å; Y173-F252 HydrophobicContact CE2-CZ 4.1Å; Y173-F252 AromaticContact CZ-CD1 3.51Å; Y173-F252 AromaticContact CZ-CE1 3.77Å; Y173-F252 WeakPolarHBondContact OH-CD1 3.2Å; P250-F252 PolarHBondContact O-N 3.44Å
253	P	31.3	Very low	34.2	Very low	111 Å²	111	123.2 Å²	123.2	72%	0.721	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-86.8	148.2	166.8	1.4	16.4	0	0	0	112.2
254	T	29.4	Very low	33.7	Very low	138 Å²	138	126.9 Å²	126.9	85%	0.847	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-71.8	144.6	-178	-5.2	0	0	0	0	113.3
255	P	29.8	Very low	33.1	Very low	98 Å²	98	133 Å²	133	64%	0.636	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-77.9	147.2	-172.8	-12.1	28.3	0	0	0	114.8
256	L	27	Very low	32.8	Very low	166 Å²	166	132 Å²	132	87%	0.869	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-91.8	153.8	168	-82.9	158.8	0	0	0	111.2
257	P	31.1	Very low	33	Very low	109 Å²	109	131.2 Å²	131.2	71%	0.708	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-75.3	158	-174.1	30.7	-34.3	0	0	0	113.6
258	P	29.2	Very low	33.5	Very low	131 Å²	131	132.4 Å²	132.4	85%	0.851	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-79.6	147.2	-165.3	30.8	-34.3	0	0	0	113.7
259	R	24.2	Very low	34.8	Very low	221 Å²	221	129.2 Å²	129.2	83%	0.834	72%	0.721	S	S	*	*			trans	-108.4	135.8	169.1	-168.1	177.2	-149.5	-130	3.3	109.2
260	P	32.2	Very low	36.5	Very low	123 Å²	123	130.4 Å²	130.4	80%	0.799	72%	0.719	S	S	*	*			trans	-82	132	177.6	31.3	-30.9	0	0	0	110.4
261	T	27.7	Very low	39	Very low	124 Å²	124	127.8 Å²	127.8	76%	0.761	70%	0.698	S	S	*	*			trans	-136.2	112.4	166.9	1.5	0	0	0	0	108.9
262	R	36.8	Very low	41.1	Very low	246 Å²	246	121.4 Å²	121.4	93%	0.928	67%	0.668	S	S	*	*			trans	-88.6	133.3	172.6	-156.7	-178.4	-169.6	-163	2.7	107.6
263	L	27.5	Very low	43.4	Very low	157 Å²	157	122.1 Å²	122.1	82%	0.822	67%	0.672	S	S	*	*			trans	-132.6	155	168.3	-81.2	169.1	0	0	0	110.2
264	P	33	Very low	45.3	Very low	121 Å²	121	116.9 Å²	116.9	79%	0.786	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-91.4	151.2	-154.8	-1.1	22.1	0	0	0	114
265	E	35.3	Very low	48	Very low	162 Å²	162	113.2 Å²	113.2	76%	0.757	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-72.4	150.3	175	-64.3	-176.6	156.8	0	0	112.9
266	P	37.9	Very low	51	Low	120 Å²	120	109 Å²	109	78%	0.779	59%	0.59	S	S	*	*	S	Bend	trans	-71.2	149.1	167.5	-4.2	20.4	0	0	0	112
267	S	46.1	Very low	54.1	Low	99 Å²	99	103.2 Å²	103.2	69%	0.692	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-46.8	124.3	-157.3	54.9	0	0	0	0	117.8	D269	S267-D269 PolarHBondContact O-N 2.83Å
268	S	53.4	Low	57.2	Low	70 Å²	70	98 Å²	98	49%	0.49	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-4.2	171.7	44.7	0	0	0	0	117.1	C272	S268-C272 PolarHBondContact O-SG 2.82Å; S268-C272 VanDerWaalsContact O-SG 3.41Å
269	D	64.1	Low	60.5	Low	87 Å²	87	91.8 Å²	91.8	47%	0.465	49%	0.486	S	S	.	.	H	α-helix	trans	-83.9	-37.7	-151.2	-70.3	-4.2	0	0	0	113.6	S267 C272 Q273	S267-D269 PolarHBondContact O-N 2.83Å; D269-C272 PolarHBondContact O-N 3.1Å; D269-Q273 WeakPolarHBondContact O-CB 3.33Å; D269-Q273 VanDerWaalsContact O-CD 3.22Å; D269-Q273 WeakPolarHBondContact O-CG 3.47Å; D269-Q273 PolarHBondContact O-N 3.25Å; D269-Q273 PolarHBondContact O-NE2 3.37Å
270	E	71.3	Confident	63.9	Low	115 Å²	115	81.3 Å²	81.3	54%	0.537	45%	0.447	S	S	.	.	H	α-helix	trans	-73.3	-39.7	-174.8	-66	-176.1	161	0	0	113.9	C272 R290 W295	E270-C272 PolarHBondContact O-N 3Å; E270-R290 PolarHBondContact O-NH1 3.07Å; E270-W295 HydrophobicContact CB-CH2 4.49Å
271	R	85.1	Confident	66.6	Low	27 Å²	27	77.5 Å²	77.5	10%	0.102	42%	0.419	C	S	.	.	H	α-helix	trans	-63.4	-32.6	177.6	177.5	-177.9	53.8	125.6	2.9	112	W295 L471 R472	R271-W295 HydrophobicContact CB-CZ2 3.79Å; R271-W295 HydrophobicContact CG-CD2 4.42Å; R271-W295 HydrophobicContact CG-CZ2 4.49Å; R271-L471 HydrophobicContact CG-CB 3.99Å; R271-L471 HydrophobicContact CG-CD1 4.32Å; R271-L471 PolarHBondContact NH1-O 2.92Å; R271-L471 WeakPolarHBondContact O-CD1 3.46Å; R271-R472 PolarHBondContact NH1-O 3.47Å; R271-R472 VanDerWaalsContact NH1-O 3.1Å
272	C	83.3	Confident	69.3	Low	39 Å²	39	71.9 Å²	71.9	26%	0.264	39%	0.385	S	S	.	.	H	α-helix	trans	-95.4	-7.3	-171.8	-61.4	0	0	0	0	114.2	S268 D269 E270 G274 C473	S268-C272 PolarHBondContact O-SG 2.82Å; S268-C272 VanDerWaalsContact O-SG 3.41Å; D269-C272 PolarHBondContact O-N 3.1Å; E270-C272 PolarHBondContact O-N 3Å; C272-G274 VanDerWaalsContact C-N 3.27Å; C272-G274 PolarHBondContact O-N 3.38Å; C272-C473 WeakPolarHBondContact CA-SG 3.23Å; C272-C473 HydrophobicContact CB-CB 3.73Å; C272-C473 WeakPolarHBondContact CB-SG 3.16Å; C272-C473 WeakPolarHBondContact SG-CB 3.42Å; C272-C473 CovalentContact SG-SG 2.03Å; C272-C473 PolarHBondContact SG-SG 3.29Å
273	Q	75.4	Confident	71.3	Confident	100 Å²	100	65.5 Å²	65.5	47%	0.467	36%	0.36	S	S	.	.	S	Bend	trans	-87.6	21.2	178.3	-79	171.1	18.9	0	0	114	D269 R290 D446	D269-Q273 WeakPolarHBondContact O-CB 3.33Å; D269-Q273 VanDerWaalsContact O-CD 3.22Å; D269-Q273 WeakPolarHBondContact O-CG 3.47Å; D269-Q273 PolarHBondContact O-N 3.25Å; D269-Q273 PolarHBondContact O-NE2 3.37Å; Q273-R290 PolarHBondContact O-NH1 2.65Å; Q273-D446 VanDerWaalsContact O-OD1 3.07Å
274	G	72.5	Confident	73.5	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.01	33%	0.327	C	S	.	.			trans	44.5	-146.1	175.2	0	0	0	0	0	115.1	C272 R290 D446	C272-G274 VanDerWaalsContact C-N 3.27Å; C272-G274 PolarHBondContact O-N 3.38Å; G274-R290 PolarHBondContact O-NH1 2.79Å; G274-D446 WeakPolarHBondContact CA-OD1 3.17Å; G274-D446 PolarHBondContact N-OD1 3.26Å
275	S	85.6	Confident	75.9	Confident	61 Å²	61	54.9 Å²	54.9	43%	0.427	30%	0.299	S	S	.	.			trans	51.9	62	171.6	-170.4	0	0	0	0	113.6	G445	S275-G445 PolarHBondContact N-O 3.47Å
276	F	92.1	Very high	78.5	Confident	10 Å²	10	47.2 Å²	47.2	4%	0.044	26%	0.263	C	S	.	.			trans	-75.9	147.5	179.2	-64.9	-75.9	0	0	0	111.1	A278 V279 F288 F289 R290 W295 T466 L471	F276-A278 VanDerWaalsContact C-N 3.33Å; F276-V279 HydrophobicContact CB-CG2 3.85Å; F276-V279 HydrophobicContact CD2-CG2 4.48Å; F276-V279 HydrophobicContact CG-CG2 4.38Å; F276-F288 HydrophobicContact CD1-CB 3.68Å; F276-F288 HydrophobicContact CD1-CD1 4.47Å; F276-F288 HydrophobicContact CD2-CB 4.43Å; F276-F288 AromaticContact CD2-CD1 3.72Å; F276-F288 HydrophobicContact CD2-CD1 3.72Å; F276-F288 HydrophobicContact CE1-CB 3.81Å; F276-F288 AromaticContact CE2-CD1 3.91Å; F276-F288 HydrophobicContact CE2-CD1 3.91Å; F276-F288 HydrophobicContact CG-CB 4.05Å; F276-F288 HydrophobicContact CG-CD1 4.06Å; F276-F288 HydrophobicContact CZ-CB 4.28Å; F276-F288 HydrophobicContact CZ-CD1 4.41Å; F276-F289 CarbonylContact C-O 3.56Å; F276-F289 WeakPolarHBondContact CA-O 3.31Å; F276-F289 WeakPolarHBondContact CB-O 3.43Å; F276-R290 HydrophobicContact CD1-CB 4.07Å; F276-R290 HydrophobicContact CE1-CB 4.47Å; F276-W295 AromaticContact CE1-CE3 3.92Å; F276-W295 HydrophobicContact CE1-CE3 3.92Å; F276-W295 AromaticContact CE1-CZ3 3.93Å; F276-W295 HydrophobicContact CE1-CZ3 3.93Å; F276-T466 HydrophobicContact CD2-CG2 4.35Å; F276-T466 HydrophobicContact CE2-CG2 3.97Å; F276-L471 HydrophobicContact CE1-CD1 4.15Å; F276-L471 HydrophobicContact CE2-CD1 3.54Å; F276-L471 HydrophobicContact CZ-CD1 3.15Å
277	D	93.6	Very high	81.2	Confident	44 Å²	44	41.7 Å²	41.7	24%	0.235	23%	0.227	C	C	.	.	S	Bend	trans	-70.1	-33.8	176.2	-67.4	-52.5	0	0	0	111.5	F289 R290 G291 K324 V325	D277-F289 PolarHBondContact N-O 3.1Å; D277-R290 VanDerWaalsContact OD2-CA 3.3Å; D277-R290 WeakPolarHBondContact OD2-CA 3.5Å; D277-G291 PolarHBondContact OD2-N 3.22Å; D277-K324 HydrophobicContact CB-CG 4.05Å; D277-K324 WeakPolarHBondContact OD1-CE 3.49Å; D277-V325 CarbonylContact C-O 3.4Å; D277-V325 VanDerWaalsContact CB-O 3.31Å; D277-V325 WeakPolarHBondContact CB-O 3.14Å
278	A	96.1	Very high	83.5	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	151.6	172.9	0	0	0	0	0	110.3	F276 F289 V325 D431	F276-A278 VanDerWaalsContact C-N 3.33Å; A278-F289 HydrophobicContact CB-CB 4.28Å; A278-F289 HydrophobicContact CB-CD2 4.15Å; A278-F289 PolarHBondContact O-N 3.29Å; A278-V325 HydrophobicContact CB-CG1 4.47Å; A278-D431 WeakPolarHBondContact CA-OD2 3.45Å
279	V	96.9	Very high	85.5	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.1	173.7	-173.4	0	0	0	0	109	F276 V286 F287 F288 D431 I433 F443	F276-V279 HydrophobicContact CB-CG2 3.85Å; F276-V279 HydrophobicContact CD2-CG2 4.48Å; F276-V279 HydrophobicContact CG-CG2 4.38Å; V279-V286 HydrophobicContact CG1-CG1 3.61Å; V279-F287 CarbonylContact C-O 3.58Å; V279-F287 VanDerWaalsContact CA-O 3.27Å; V279-F287 WeakPolarHBondContact CA-O 3.23Å; V279-F288 HydrophobicContact CB-CD1 4.47Å; V279-F288 HydrophobicContact CG1-CD1 3.84Å; V279-F288 HydrophobicContact CG1-CE1 3.65Å; V279-F288 HydrophobicContact CG1-CZ 4.18Å; V279-F288 HydrophobicContact CG2-CD1 3.8Å; V279-F288 HydrophobicContact CG2-CE1 4.15Å; V279-D431 HydrophobicContact CB-CB 3.99Å; V279-D431 HydrophobicContact CG2-CB 4.4Å; V279-D431 PolarHBondContact N-OD2 3.21Å; V279-I433 HydrophobicContact CB-CG2 4.44Å; V279-I433 HydrophobicContact CG1-CD1 4.4Å; V279-I433 HydrophobicContact CG1-CG2 4.08Å; V279-I433 WeakPolarHBondContact O-CG2 3.26Å; V279-F443 HydrophobicContact CB-CD2 4.01Å; V279-F443 HydrophobicContact CB-CE2 4.16Å; V279-F443 HydrophobicContact CB-CG 4.4Å; V279-F443 HydrophobicContact CG1-CD2 4.04Å; V279-F443 HydrophobicContact CG1-CE1 4.41Å; V279-F443 HydrophobicContact CG1-CE2 3.68Å; V279-F443 HydrophobicContact CG1-CZ 3.89Å; V279-F443 HydrophobicContact CG2-CB 4.43Å; V279-F443 HydrophobicContact CG2-CD1 4.41Å; V279-F443 HydrophobicContact CG2-CD2 4.21Å; V279-F443 HydrophobicContact CG2-CG 4.09Å
280	A	95.4	Very high	86.8	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.9	-173.8	0	0	0	0	0	112.7	I282 V286 F287 F289 V328	A280-I282 HydrophobicContact CB-CD1 4Å; A280-I282 HydrophobicContact CB-CG1 4.1Å; A280-V286 CarbonylContact O-C 3.51Å; A280-V286 WeakPolarHBondContact O-CA 3.23Å; A280-F287 PolarHBondContact N-O 3.27Å; A280-F287 PolarHBondContact O-N 2.93Å; A280-F289 HydrophobicContact CB-CE2 4.34Å; A280-V328 HydrophobicContact CB-CB 3.71Å; A280-V328 HydrophobicContact CB-CG1 3.93Å; A280-V328 VanDerWaalsContact CB-O 3.24Å; A280-V328 WeakPolarHBondContact CB-O 3.46Å
281	N	90.8	Very high	87.7	Confident	42 Å²	42	28.4 Å²	28.4	23%	0.225	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	112	163.2	-179	-3	0	0	0	108.9	G284 E285 I433 T434	N281-G284 WeakPolarHBondContact OD1-CA 3.37Å; N281-G284 PolarHBondContact OD1-N 2.99Å; N281-E285 WeakPolarHBondContact CA-O 3.25Å; N281-I433 HydrophobicContact CB-CB 4.16Å; N281-T434 PolarHBondContact ND2-O 3.24Å
282	I	83.9	Confident	87.7	Confident	6 Å²	6	28.7 Å²	28.7	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.5	177.2	-62.3	157.9	0	0	0	107	A280 G284 E285 F287 W315 V328 I337	A280-I282 HydrophobicContact CB-CD1 4Å; A280-I282 HydrophobicContact CB-CG1 4.1Å; I282-G284 PolarHBondContact O-N 3.44Å; I282-G284 VanDerWaalsContact O-N 3.14Å; I282-E285 PolarHBondContact N-O 3.35Å; I282-E285 PolarHBondContact O-N 2.81Å; I282-F287 HydrophobicContact CB-CD2 4.01Å; I282-F287 HydrophobicContact CB-CE2 3.81Å; I282-F287 HydrophobicContact CD1-CD2 3.88Å; I282-F287 HydrophobicContact CD1-CE2 4.18Å; I282-F287 HydrophobicContact CD1-CG 4.16Å; I282-F287 HydrophobicContact CG1-CD2 4.34Å; I282-F287 HydrophobicContact CG2-CE2 4.39Å; I282-W315 HydrophobicContact CD1-CH2 3.91Å; I282-W315 HydrophobicContact CD1-CZ2 3.86Å; I282-V328 HydrophobicContact CD1-CG1 3.98Å; I282-I337 HydrophobicContact CD1-CG2 4.04Å; I282-I337 HydrophobicContact CG1-CG2 4.19Å; I282-I337 HydrophobicContact CG2-CD1 3.63Å; I282-I337 HydrophobicContact CG2-CG1 3.91Å
283	R	77.6	Confident	87.9	Confident	112 Å²	112	30 Å²	30	42%	0.423	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	28.1	179	-58.6	179.9	176.2	-174.7	-2.6	113.7	E285 R299 E330 D350	R283-E285 VanDerWaalsContact C-N 3.34Å; R283-R299 PolarHBondContact O-NE 2.82Å; R283-R299 PolarHBondContact O-NH2 3.48Å; R283-E330 WeakPolarHBondContact CA-OE2 3.24Å; R283-E330 PolarHBondContact N-OE2 3.36Å; R283-D350 IonicContact CZ-OD1 3.38Å; R283-D350 IonicContact NH1-OD1 3.44Å; R283-D350 PolarHBondContact NH1-OD1 3.3Å; R283-D350 IonicContact NH2-OD1 2.69Å; R283-D350 PolarHBondContact NH2-OD1 3.45Å
284	G	74.2	Confident	88.6	Confident	11 Å²	11	25.7 Å²	25.7	11%	0.113	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	16.9	-176.7	0	0	0	0	0	113.4	N281 I282 R299 W435	N281-G284 WeakPolarHBondContact OD1-CA 3.37Å; N281-G284 PolarHBondContact OD1-N 2.99Å; I282-G284 PolarHBondContact O-N 3.44Å; I282-G284 VanDerWaalsContact O-N 3.14Å; G284-R299 WeakPolarHBondContact O-CG 3.38Å; G284-W435 VanDerWaalsContact C-CZ3 3.41Å; G284-W435 WeakPolarHBondContact O-CH2 3.36Å; G284-W435 WeakPolarHBondContact O-CZ3 3.44Å
285	E	83.1	Confident	89.5	Confident	45 Å²	45	26 Å²	26	21%	0.21	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144	162.8	-61	-176.6	108.3	0	0	108.7	N281 I282 R283 F287 R296 T297	N281-E285 WeakPolarHBondContact CA-O 3.25Å; I282-E285 PolarHBondContact N-O 3.35Å; I282-E285 PolarHBondContact O-N 2.81Å; R283-E285 VanDerWaalsContact C-N 3.34Å; E285-F287 HydrophobicContact CB-CD2 4.43Å; E285-F287 HydrophobicContact CB-CE2 3.92Å; E285-R296 HydrophobicContact CB-CG 3.92Å; E285-R296 IonicContact OE1-CZ 2.72Å; E285-R296 IonicContact OE1-NE 3.64Å; E285-R296 PolarHBondContact OE1-NE 2.94Å; E285-R296 IonicContact OE1-NH1 2.77Å; E285-R296 PolarHBondContact OE1-NH1 3.35Å; E285-R296 WeakPolarHBondContact OE2-CD 3.19Å; E285-R296 IonicContact OE2-CZ 2.76Å; E285-R296 IonicContact OE2-NE 3.42Å; E285-R296 IonicContact OE2-NH1 2.91Å; E285-R296 PolarHBondContact OE2-NH1 3.48Å; E285-T297 CarbonylContact C-O 3.58Å; E285-T297 WeakPolarHBondContact CA-O 3.34Å
286	V	91.3	Very high	89.5	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.9	178	-172.8	0	0	0	0	109.5	V279 A280 F288 R296 T297 I433 W435 W470	V279-V286 HydrophobicContact CG1-CG1 3.61Å; A280-V286 CarbonylContact O-C 3.51Å; A280-V286 WeakPolarHBondContact O-CA 3.23Å; V286-F288 HydrophobicContact CB-CE2 4Å; V286-F288 HydrophobicContact CB-CZ 4.38Å; V286-F288 HydrophobicContact CG1-CD2 4.23Å; V286-F288 HydrophobicContact CG1-CE1 4.31Å; V286-F288 HydrophobicContact CG1-CE2 3.53Å; V286-F288 HydrophobicContact CG1-CZ 3.56Å; V286-R296 CarbonylContact O-C 3.59Å; V286-R296 WeakPolarHBondContact O-CA 3.36Å; V286-T297 PolarHBondContact N-O 3.38Å; V286-T297 PolarHBondContact O-N 3.13Å; V286-I433 HydrophobicContact CB-CD1 4.32Å; V286-I433 HydrophobicContact CG1-CD1 3.57Å; V286-I433 HydrophobicContact CG2-CD1 3.71Å; V286-W435 HydrophobicContact CG2-CD2 3.84Å; V286-W435 HydrophobicContact CG2-CE3 3.34Å; V286-W435 HydrophobicContact CG2-CH2 3.74Å; V286-W435 HydrophobicContact CG2-CZ2 4.24Å; V286-W435 HydrophobicContact CG2-CZ3 3.29Å; V286-W470 HydrophobicContact CB-CE3 4.27Å; V286-W470 HydrophobicContact CB-CZ3 3.9Å; V286-W470 HydrophobicContact CG1-CE3 4.36Å; V286-W470 HydrophobicContact CG1-CZ3 4.17Å; V286-W470 HydrophobicContact CG2-CE3 4.29Å; V286-W470 HydrophobicContact CG2-CH2 4.01Å; V286-W470 HydrophobicContact CG2-CZ3 3.44Å; V286-W470 VanDerWaalsContact CG2-CZ3 3.44Å
287	F	93.6	Very high	89	Confident	4 Å²	4	25.8 Å²	25.8	2%	0.018	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.2	177.5	-70.6	-111.4	0	0	0	109.4	V279 A280 I282 E285 F289 F294 W295 R296 F314 W315	V279-F287 CarbonylContact C-O 3.58Å; V279-F287 VanDerWaalsContact CA-O 3.27Å; V279-F287 WeakPolarHBondContact CA-O 3.23Å; A280-F287 PolarHBondContact N-O 3.27Å; A280-F287 PolarHBondContact O-N 2.93Å; I282-F287 HydrophobicContact CB-CD2 4.01Å; I282-F287 HydrophobicContact CB-CE2 3.81Å; I282-F287 HydrophobicContact CD1-CD2 3.88Å; I282-F287 HydrophobicContact CD1-CE2 4.18Å; I282-F287 HydrophobicContact CD1-CG 4.16Å; I282-F287 HydrophobicContact CG1-CD2 4.34Å; I282-F287 HydrophobicContact CG2-CE2 4.39Å; E285-F287 HydrophobicContact CB-CD2 4.43Å; E285-F287 HydrophobicContact CB-CE2 3.92Å; F287-F289 HydrophobicContact CB-CD2 4.19Å; F287-F289 HydrophobicContact CB-CE2 3.45Å; F287-F289 VanDerWaalsContact CB-CE2 3.45Å; F287-F289 HydrophobicContact CB-CZ 3.79Å; F287-F289 HydrophobicContact CD1-CZ 4.09Å; F287-F289 HydrophobicContact CG-CE2 4.35Å; F287-F289 HydrophobicContact CG-CZ 4.26Å; F287-F294 AromaticContact CD1-CD2 3.58Å; F287-F294 HydrophobicContact CD1-CD2 3.58Å; F287-F294 AromaticContact CD1-CE2 3.62Å; F287-F294 HydrophobicContact CD1-CE2 3.62Å; F287-F294 HydrophobicContact CD1-CG 4.46Å; F287-F294 HydrophobicContact CE1-CD2 4.12Å; F287-F294 AromaticContact CE1-CE2 3.64Å; F287-F294 HydrophobicContact CE1-CE2 3.64Å; F287-F294 HydrophobicContact CE1-CZ 4.33Å; F287-W295 CarbonylContact C-O 3.59Å; F287-W295 WeakPolarHBondContact CA-O 3.47Å; F287-R296 HydrophobicContact CD1-CB 4.47Å; F287-R296 HydrophobicContact CD1-CG 4.44Å; F287-R296 HydrophobicContact CD2-CG 4.24Å; F287-R296 HydrophobicContact CE1-CG 4.3Å; F287-R296 HydrophobicContact CE2-CG 4.06Å; F287-R296 HydrophobicContact CG-CG 4.42Å; F287-R296 HydrophobicContact CZ-CG 4.11Å; F287-F314 HydrophobicContact CE1-CE1 4.08Å; F287-F314 HydrophobicContact CE1-CZ 4.39Å; F287-F314 HydrophobicContact CZ-CE1 4.43Å; F287-W315 HydrophobicContact CE1-CZ2 4.17Å
288	F	94.9	Very high	88.1	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	103.7	178	-66.1	-89.5	0	0	0	108.6	F276 V279 V286 F294 W295 F443 T466 W470 L471	F276-F288 HydrophobicContact CD1-CB 3.68Å; F276-F288 HydrophobicContact CD1-CD1 4.47Å; F276-F288 HydrophobicContact CD2-CB 4.43Å; F276-F288 AromaticContact CD2-CD1 3.72Å; F276-F288 HydrophobicContact CD2-CD1 3.72Å; F276-F288 HydrophobicContact CE1-CB 3.81Å; F276-F288 AromaticContact CE2-CD1 3.91Å; F276-F288 HydrophobicContact CE2-CD1 3.91Å; F276-F288 HydrophobicContact CG-CB 4.05Å; F276-F288 HydrophobicContact CG-CD1 4.06Å; F276-F288 HydrophobicContact CZ-CB 4.28Å; F276-F288 HydrophobicContact CZ-CD1 4.41Å; V279-F288 HydrophobicContact CB-CD1 4.47Å; V279-F288 HydrophobicContact CG1-CD1 3.84Å; V279-F288 HydrophobicContact CG1-CE1 3.65Å; V279-F288 HydrophobicContact CG1-CZ 4.18Å; V279-F288 HydrophobicContact CG2-CD1 3.8Å; V279-F288 HydrophobicContact CG2-CE1 4.15Å; V286-F288 HydrophobicContact CB-CE2 4Å; V286-F288 HydrophobicContact CB-CZ 4.38Å; V286-F288 HydrophobicContact CG1-CD2 4.23Å; V286-F288 HydrophobicContact CG1-CE1 4.31Å; V286-F288 HydrophobicContact CG1-CE2 3.53Å; V286-F288 HydrophobicContact CG1-CZ 3.56Å; F288-F294 CarbonylContact O-C 3.56Å; F288-F294 WeakPolarHBondContact O-CA 3.42Å; F288-F294 WeakPolarHBondContact O-CB 3.4Å; F288-W295 HydrophobicContact CB-CB 4.49Å; F288-W295 PolarHBondContact N-O 3.41Å; F288-W295 PolarHBondContact O-N 2.57Å; F288-F443 AromaticContact CE1-CE1 3.93Å; F288-F443 HydrophobicContact CE1-CE1 3.93Å; F288-F443 HydrophobicContact CE1-CZ 4.33Å; F288-F443 HydrophobicContact CZ-CE1 4.48Å; F288-T466 HydrophobicContact CD1-CG2 4.46Å; F288-T466 HydrophobicContact CE1-CG2 3.9Å; F288-W470 HydrophobicContact CE1-CB 4.21Å; F288-W470 HydrophobicContact CE1-CG 4.35Å; F288-W470 HydrophobicContact CE2-CB 3.98Å; F288-W470 HydrophobicContact CE2-CD2 4.47Å; F288-W470 HydrophobicContact CE2-CE3 4.11Å; F288-W470 HydrophobicContact CE2-CG 4.47Å; F288-W470 HydrophobicContact CZ-CB 3.48Å; F288-W470 VanDerWaalsContact CZ-CB 3.48Å; F288-W470 AromaticContact CZ-CD2 3.71Å; F288-W470 HydrophobicContact CZ-CD2 3.71Å; F288-W470 AromaticContact CZ-CE3 3.73Å; F288-W470 HydrophobicContact CZ-CE3 3.73Å; F288-W470 AromaticContact CZ-CG 3.64Å; F288-W470 HydrophobicContact CZ-CG 3.64Å; F288-L471 HydrophobicContact CB-CD2 4.48Å; F288-L471 HydrophobicContact CD2-CD2 3.7Å; F288-L471 HydrophobicContact CE2-CD2 4.06Å; F288-L471 HydrophobicContact CG-CD2 4.03Å
289	F	94.4	Very high	87.1	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.4	-176.2	-63	-88.4	0	0	0	111	F276 D277 A278 A280 F287 F294 I311 W315 V328 F339	F276-F289 CarbonylContact C-O 3.56Å; F276-F289 WeakPolarHBondContact CA-O 3.31Å; F276-F289 WeakPolarHBondContact CB-O 3.43Å; D277-F289 PolarHBondContact N-O 3.1Å; A278-F289 HydrophobicContact CB-CB 4.28Å; A278-F289 HydrophobicContact CB-CD2 4.15Å; A278-F289 PolarHBondContact O-N 3.29Å; A280-F289 HydrophobicContact CB-CE2 4.34Å; F287-F289 HydrophobicContact CB-CD2 4.19Å; F287-F289 HydrophobicContact CB-CE2 3.45Å; F287-F289 VanDerWaalsContact CB-CE2 3.45Å; F287-F289 HydrophobicContact CB-CZ 3.79Å; F287-F289 HydrophobicContact CD1-CZ 4.09Å; F287-F289 HydrophobicContact CG-CE2 4.35Å; F287-F289 HydrophobicContact CG-CZ 4.26Å; F289-F294 HydrophobicContact CD1-CB 3.63Å; F289-F294 HydrophobicContact CD1-CG 4.29Å; F289-F294 HydrophobicContact CE1-CB 3.96Å; F289-F294 HydrophobicContact CE1-CD1 4.33Å; F289-F294 HydrophobicContact CE1-CG 4.14Å; F289-F294 HydrophobicContact CG-CB 4.18Å; F289-I311 HydrophobicContact CD1-CD1 3.78Å; F289-I311 HydrophobicContact CD1-CG1 3.91Å; F289-I311 HydrophobicContact CE1-CG1 4.34Å; F289-W315 AromaticContact CE1-NE1 3.65Å; F289-W315 HydrophobicContact CZ-CZ2 4.48Å; F289-W315 AromaticContact CZ-NE1 3.87Å; F289-V328 HydrophobicContact CE2-CG2 4.23Å; F289-F339 HydrophobicContact CE1-CE1 4.17Å; F289-F339 HydrophobicContact CE1-CZ 4.29Å; F289-F339 HydrophobicContact CZ-CE1 4.21Å; F289-F339 AromaticContact CZ-CZ 3.98Å; F289-F339 HydrophobicContact CZ-CZ 3.98Å
290	R	92	Very high	86	Confident	67 Å²	67	42.5 Å²	42.5	25%	0.253	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	123.8	173.7	-170.4	173	174.7	166.1	-4.6	110.5	E270 Q273 G274 F276 D277 A292 H293 W295	E270-R290 PolarHBondContact O-NH1 3.07Å; Q273-R290 PolarHBondContact O-NH1 2.65Å; G274-R290 PolarHBondContact O-NH1 2.79Å; F276-R290 HydrophobicContact CD1-CB 4.07Å; F276-R290 HydrophobicContact CE1-CB 4.47Å; D277-R290 VanDerWaalsContact OD2-CA 3.3Å; D277-R290 WeakPolarHBondContact OD2-CA 3.5Å; R290-A292 PolarHBondContact O-N 3.47Å; R290-H293 PolarHBondContact N-O 2.03Å; R290-H293 CarbonylContact O-C 3.22Å; R290-H293 WeakPolarHBondContact O-CA 3.36Å; R290-H293 WeakPolarHBondContact O-CB 3.22Å; R290-H293 PolarHBondContact O-N 3.28Å; R290-H293 VanDerWaalsContact O-O 3.1Å; R290-W295 HydrophobicContact CB-CZ3 4.06Å
291	G	90.4	Very high	84.8	Confident	26 Å²	26	43.5 Å²	43.5	27%	0.268	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-133.5	-176.2	0	0	0	0	0	111.4	D277 H293 I311 N323	D277-G291 PolarHBondContact OD2-N 3.22Å; G291-H293 PolarHBondContact O-N 3.26Å; G291-I311 WeakPolarHBondContact O-CD1 3.34Å; G291-N323 CarbonylContact C-O 3.44Å; G291-N323 WeakPolarHBondContact CA-O 3.46Å; G291-N323 CarbonylContact O-C 3.53Å; G291-N323 VanDerWaalsContact O-O 3.09Å
292	A	85.2	Confident	83.8	Confident	32 Å²	32	43.1 Å²	43.1	26%	0.264	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	9.1	173.7	0	0	0	0	0	113.7	R290 V310 I311	R290-A292 PolarHBondContact O-N 3.47Å; A292-V310 WeakPolarHBondContact O-CA 3.49Å; A292-I311 WeakPolarHBondContact O-CG1 3.42Å; A292-I311 PolarHBondContact O-N 3.17Å
293	H	86.8	Confident	83.3	Confident	67 Å²	67	44.1 Å²	44.1	31%	0.31	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	163.4	-165.3	-63.6	109.6	0	0	0	113.6	R290 G291 P308 A309	R290-H293 PolarHBondContact N-O 2.03Å; R290-H293 CarbonylContact O-C 3.22Å; R290-H293 WeakPolarHBondContact O-CA 3.36Å; R290-H293 WeakPolarHBondContact O-CB 3.22Å; R290-H293 PolarHBondContact O-N 3.28Å; R290-H293 VanDerWaalsContact O-O 3.1Å; G291-H293 PolarHBondContact O-N 3.26Å; H293-P308 HydrophobicContact CB-CB 3.75Å; H293-P308 HydrophobicContact CB-CG 4.49Å; H293-A309 CarbonylContact C-O 3.54Å; H293-A309 WeakPolarHBondContact CA-O 3.43Å
294	F	90.7	Very high	82.7	Confident	9 Å²	9	41.8 Å²	41.8	4%	0.039	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	157.5	168.5	72.5	-85.6	0	0	0	113.5	F287 F288 F289 P308 A309 I311 F314	F287-F294 AromaticContact CD1-CD2 3.58Å; F287-F294 HydrophobicContact CD1-CD2 3.58Å; F287-F294 AromaticContact CD1-CE2 3.62Å; F287-F294 HydrophobicContact CD1-CE2 3.62Å; F287-F294 HydrophobicContact CD1-CG 4.46Å; F287-F294 HydrophobicContact CE1-CD2 4.12Å; F287-F294 AromaticContact CE1-CE2 3.64Å; F287-F294 HydrophobicContact CE1-CE2 3.64Å; F287-F294 HydrophobicContact CE1-CZ 4.33Å; F288-F294 CarbonylContact O-C 3.56Å; F288-F294 WeakPolarHBondContact O-CA 3.42Å; F288-F294 WeakPolarHBondContact O-CB 3.4Å; F289-F294 HydrophobicContact CD1-CB 3.63Å; F289-F294 HydrophobicContact CD1-CG 4.29Å; F289-F294 HydrophobicContact CE1-CB 3.96Å; F289-F294 HydrophobicContact CE1-CD1 4.33Å; F289-F294 HydrophobicContact CE1-CG 4.14Å; F289-F294 HydrophobicContact CG-CB 4.18Å; F294-P308 WeakPolarHBondContact O-CA 3.31Å; F294-A309 HydrophobicContact CD1-CB 4.17Å; F294-A309 HydrophobicContact CE1-CB 3.68Å; F294-A309 HydrophobicContact CE2-CB 4.17Å; F294-A309 HydrophobicContact CZ-CB 3.68Å; F294-A309 PolarHBondContact N-O 3.49Å; F294-A309 PolarHBondContact O-N 3.34Å; F294-I311 HydrophobicContact CD1-CG1 3.92Å; F294-F314 HydrophobicContact CE1-CB 3.67Å; F294-F314 HydrophobicContact CE1-CD1 4.42Å; F294-F314 HydrophobicContact CE1-CG 4.05Å; F294-F314 HydrophobicContact CZ-CB 3.78Å; F294-F314 AromaticContact CZ-CD1 3.99Å; F294-F314 HydrophobicContact CZ-CD1 3.99Å; F294-F314 AromaticContact CZ-CD2 3.99Å; F294-F314 HydrophobicContact CZ-CD2 3.99Å; F294-F314 AromaticContact CZ-CG 3.64Å; F294-F314 HydrophobicContact CZ-CG 3.64Å
295	W	90.8	Very high	82.4	Confident	9 Å²	9	43.8 Å²	43.8	3%	0.034	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	159.6	165.4	-63.7	-96.7	0	0	0	110.1	E270 R271 F276 F287 F288 R290 L303 L306 P308 L471	E270-W295 HydrophobicContact CB-CH2 4.49Å; R271-W295 HydrophobicContact CB-CZ2 3.79Å; R271-W295 HydrophobicContact CG-CD2 4.42Å; R271-W295 HydrophobicContact CG-CZ2 4.49Å; F276-W295 AromaticContact CE1-CE3 3.92Å; F276-W295 HydrophobicContact CE1-CE3 3.92Å; F276-W295 AromaticContact CE1-CZ3 3.93Å; F276-W295 HydrophobicContact CE1-CZ3 3.93Å; F287-W295 CarbonylContact C-O 3.59Å; F287-W295 WeakPolarHBondContact CA-O 3.47Å; F288-W295 HydrophobicContact CB-CB 4.49Å; F288-W295 PolarHBondContact N-O 3.41Å; F288-W295 PolarHBondContact O-N 2.57Å; R290-W295 HydrophobicContact CB-CZ3 4.06Å; W295-L303 HydrophobicContact CB-CD1 4.33Å; W295-L306 PolarHBondContact NE1-O 2.55Å; W295-P308 HydrophobicContact CD2-CB 4.17Å; W295-P308 HydrophobicContact CH2-CB 4.1Å; W295-P308 HydrophobicContact CH2-CG 4.35Å; W295-P308 HydrophobicContact CZ2-CB 3.59Å; W295-P308 HydrophobicContact CZ2-CG 3.67Å; W295-L471 HydrophobicContact CB-CD2 4.11Å
296	R	85.5	Confident	81.7	Confident	65 Å²	65	46.1 Å²	46.1	25%	0.245	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.5	-179.9	-175.6	175.4	66.2	166.9	-8.3	111.9	E285 V286 F287 V304	E285-R296 HydrophobicContact CB-CG 3.92Å; E285-R296 IonicContact OE1-CZ 2.72Å; E285-R296 IonicContact OE1-NE 3.64Å; E285-R296 PolarHBondContact OE1-NE 2.94Å; E285-R296 IonicContact OE1-NH1 2.77Å; E285-R296 PolarHBondContact OE1-NH1 3.35Å; E285-R296 WeakPolarHBondContact OE2-CD 3.19Å; E285-R296 IonicContact OE2-CZ 2.76Å; E285-R296 IonicContact OE2-NE 3.42Å; E285-R296 IonicContact OE2-NH1 2.91Å; E285-R296 PolarHBondContact OE2-NH1 3.48Å; V286-R296 CarbonylContact O-C 3.59Å; V286-R296 WeakPolarHBondContact O-CA 3.36Å; F287-R296 HydrophobicContact CD1-CB 4.47Å; F287-R296 HydrophobicContact CD1-CG 4.44Å; F287-R296 HydrophobicContact CD2-CG 4.24Å; F287-R296 HydrophobicContact CE1-CG 4.3Å; F287-R296 HydrophobicContact CE2-CG 4.06Å; F287-R296 HydrophobicContact CG-CG 4.42Å; F287-R296 HydrophobicContact CZ-CG 4.11Å; R296-V304 HydrophobicContact CB-CG2 4.25Å; R296-V304 HydrophobicContact CG-CG2 4.23Å; R296-V304 WeakPolarHBondContact O-CB 3.29Å; R296-V304 VanDerWaalsContact O-CG2 3.28Å; R296-V304 WeakPolarHBondContact O-CG2 3.26Å; R296-V304 PolarHBondContact O-N 2.99Å
297	T	82.1	Confident	80.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.6	176	-58.5	0	0	0	0	109.5	E285 V286 S302 W470	E285-T297 CarbonylContact C-O 3.58Å; E285-T297 WeakPolarHBondContact CA-O 3.34Å; V286-T297 PolarHBondContact N-O 3.38Å; V286-T297 PolarHBondContact O-N 3.13Å; T297-S302 CarbonylContact C-O 3.5Å; T297-S302 WeakPolarHBondContact CA-O 3.42Å; T297-S302 WeakPolarHBondContact CG2-O 3.25Å; T297-W470 HydrophobicContact CG2-CE3 4.43Å; T297-W470 PolarHBondContact OG1-O 2.87Å
298	K	75.6	Confident	80.1	Confident	94 Å²	94	55.9 Å²	55.9	41%	0.409	28%	0.282	S	S	.	.			trans	-75.7	170.3	-179.2	-58.9	-174.7	-168.9	171.2	0	111.5	D300 G301 S302 V304	K298-D300 WeakPolarHBondContact CB-OD1 3.39Å; K298-D300 PolarHBondContact O-N 2.85Å; K298-D300 VanDerWaalsContact O-N 3.15Å; K298-G301 PolarHBondContact O-N 3.44Å; K298-S302 WeakPolarHBondContact CD-OG 3.48Å; K298-S302 PolarHBondContact N-O 3.21Å; K298-V304 HydrophobicContact CD-CG2 4.4Å; K298-V304 HydrophobicContact CG-CG2 3.68Å
299	R	74.7	Confident	79	Confident	185 Å²	185	57.9 Å²	57.9	70%	0.698	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-36.3	174.8	-72.8	-172.6	-163.8	-171.5	4	114.5	R283 G284 G301 W435	R283-R299 PolarHBondContact O-NE 2.82Å; R283-R299 PolarHBondContact O-NH2 3.48Å; G284-R299 WeakPolarHBondContact O-CG 3.38Å; R299-G301 PolarHBondContact O-N 3.29Å; R299-W435 VanDerWaalsContact CA-CH2 3.46Å; R299-W435 HydrophobicContact CB-CH2 4.42Å; R299-W435 HydrophobicContact CG-CH2 4.24Å; R299-W435 WeakPolarHBondContact O-CZ2 3.33Å
300	D	72.9	Confident	78.2	Confident	118 Å²	118	60.2 Å²	60.2	63%	0.631	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	3.3	-179.5	64.5	4.8	0	0	0	113.6	K298 S302	K298-D300 WeakPolarHBondContact CB-OD1 3.39Å; K298-D300 PolarHBondContact O-N 2.85Å; K298-D300 VanDerWaalsContact O-N 3.15Å; D300-S302 VanDerWaalsContact C-N 3.27Å; D300-S302 PolarHBondContact O-N 3.36Å; D300-S302 WeakPolarHBondContact OD1-CB 3.44Å; D300-S302 PolarHBondContact OD1-N 3.46Å; D300-S302 PolarHBondContact OD1-OG 2.99Å; D300-S302 PolarHBondContact OD2-OG 2.96Å
301	G	69.8	Low	77.6	Confident	22 Å²	22	57 Å²	57	23%	0.227	30%	0.301	C	S	.	.	S	Bend	trans	76.3	10.1	-177.5	0	0	0	0	0	114	K298 R299 R472	K298-G301 PolarHBondContact O-N 3.44Å; R299-G301 PolarHBondContact O-N 3.29Å; G301-R472 PolarHBondContact O-NH2 3.16Å
302	S	71.3	Confident	76.7	Confident	34 Å²	34	57.5 Å²	57.5	24%	0.238	30%	0.299	C	S	.	.			trans	-79.5	133	171.7	66.8	0	0	0	0	110.9	T297 K298 D300	T297-S302 CarbonylContact C-O 3.5Å; T297-S302 WeakPolarHBondContact CA-O 3.42Å; T297-S302 WeakPolarHBondContact CG2-O 3.25Å; K298-S302 WeakPolarHBondContact CD-OG 3.48Å; K298-S302 PolarHBondContact N-O 3.21Å; D300-S302 VanDerWaalsContact C-N 3.27Å; D300-S302 PolarHBondContact O-N 3.36Å; D300-S302 WeakPolarHBondContact OD1-CB 3.44Å; D300-S302 PolarHBondContact OD1-N 3.46Å; D300-S302 PolarHBondContact OD1-OG 2.99Å; D300-S302 PolarHBondContact OD2-OG 2.96Å
303	L	73.6	Confident	75.9	Confident	27 Å²	27	61.8 Å²	61.8	14%	0.141	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-76.3	130.8	174	-175.7	69	0	0	0	108.7	W295 S305 L306 L471 R472	W295-L303 HydrophobicContact CB-CD1 4.33Å; L303-S305 WeakPolarHBondContact CD2-O 3.05Å; L303-S305 WeakPolarHBondContact CG-O 2.98Å; L303-L306 HydrophobicContact CD2-CD2 4.06Å; L303-L471 HydrophobicContact CD1-CD2 3.91Å; L303-R472 HydrophobicContact CB-CG 4.01Å
304	V	62.9	Low	75	Confident	62 Å²	62	61.8 Å²	61.8	38%	0.376	32%	0.316	S	S	.	.	S	Bend	trans	-68.6	-39.7	-177.1	173.9	0	0	0	0	111.9	R296 K298	R296-V304 HydrophobicContact CB-CG2 4.25Å; R296-V304 HydrophobicContact CG-CG2 4.23Å; R296-V304 WeakPolarHBondContact O-CB 3.29Å; R296-V304 VanDerWaalsContact O-CG2 3.28Å; R296-V304 WeakPolarHBondContact O-CG2 3.26Å; R296-V304 PolarHBondContact O-N 2.99Å; K298-V304 HydrophobicContact CD-CG2 4.4Å; K298-V304 HydrophobicContact CG-CG2 3.68Å
305	S	69	Low	74.3	Confident	53 Å²	53	61.5 Å²	61.5	37%	0.371	32%	0.315	S	S	.	.			trans	-153.6	142.3	-179	169.5	0	0	0	0	110.3	L303 R307	L303-S305 WeakPolarHBondContact CD2-O 3.05Å; L303-S305 WeakPolarHBondContact CG-O 2.98Å; S305-R307 VanDerWaalsContact C-N 3.28Å; S305-R307 WeakPolarHBondContact CB-O 3Å; S305-R307 PolarHBondContact OG-N 3.23Å; S305-R307 PolarHBondContact OG-O 2.97Å
306	L	68.5	Low	73.4	Confident	95 Å²	95	65.4 Å²	65.4	50%	0.497	34%	0.336	S	S	.	.	S	Bend	trans	-69.7	-29.2	170.2	-61.6	174.8	0	0	0	111.6	W295 L303	W295-L306 PolarHBondContact NE1-O 2.55Å; L303-L306 HydrophobicContact CD2-CD2 4.06Å
307	R	71.9	Confident	73	Confident	159 Å²	159	64.5 Å²	64.5	60%	0.6	35%	0.346	S	S	*	.	S	Bend	trans	-88.8	136.7	178.4	-71.8	-174.3	-92.9	-163	-7.2	111.3	L133 S305	L133-R307 VanDerWaalsContact CD1-NH2 3.27Å; S305-R307 VanDerWaalsContact C-N 3.28Å; S305-R307 WeakPolarHBondContact CB-O 3Å; S305-R307 PolarHBondContact OG-N 3.23Å; S305-R307 PolarHBondContact OG-O 2.97Å
308	P	78.3	Confident	73.1	Confident	50 Å²	50	65.1 Å²	65.1	33%	0.325	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-66.4	149.8	175.8	21	-26.5	0	0	0	112.4	H293 F294 W295	H293-P308 HydrophobicContact CB-CB 3.75Å; H293-P308 HydrophobicContact CB-CG 4.49Å; F294-P308 WeakPolarHBondContact O-CA 3.31Å; W295-P308 HydrophobicContact CD2-CB 4.17Å; W295-P308 HydrophobicContact CH2-CB 4.1Å; W295-P308 HydrophobicContact CH2-CG 4.35Å; W295-P308 HydrophobicContact CZ2-CB 3.59Å; W295-P308 HydrophobicContact CZ2-CG 3.67Å
309	A	72.1	Confident	73.5	Confident	42 Å²	42	64 Å²	64	35%	0.347	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	152.4	166.7	0	0	0	0	0	110.6	H293 F294	H293-A309 CarbonylContact C-O 3.54Å; H293-A309 WeakPolarHBondContact CA-O 3.43Å; F294-A309 HydrophobicContact CD1-CB 4.17Å; F294-A309 HydrophobicContact CE1-CB 3.68Å; F294-A309 HydrophobicContact CE2-CB 4.17Å; F294-A309 HydrophobicContact CZ-CB 3.68Å; F294-A309 PolarHBondContact N-O 3.49Å; F294-A309 PolarHBondContact O-N 3.34Å
310	V	78	Confident	73.3	Confident	48 Å²	48	61 Å²	61	29%	0.291	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	131	176.1	-179	0	0	0	0	109.9	A292 T312 N313 F314	A292-V310 WeakPolarHBondContact O-CA 3.49Å; V310-T312 WeakPolarHBondContact CG1-OG1 3.24Å; V310-T312 PolarHBondContact O-N 2.86Å; V310-N313 HydrophobicContact CB-CB 4.24Å; V310-N313 PolarHBondContact O-N 3.27Å; V310-F314 PolarHBondContact O-N 3.24Å
311	I	79.6	Confident	73.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-59.1	-49.5	-176.1	-66.1	172.1	0	0	0	111	F289 G291 A292 F294 N313 F314 W315 L318 V325	F289-I311 HydrophobicContact CD1-CD1 3.78Å; F289-I311 HydrophobicContact CD1-CG1 3.91Å; F289-I311 HydrophobicContact CE1-CG1 4.34Å; G291-I311 WeakPolarHBondContact O-CD1 3.34Å; A292-I311 WeakPolarHBondContact O-CG1 3.42Å; A292-I311 PolarHBondContact O-N 3.17Å; F294-I311 HydrophobicContact CD1-CG1 3.92Å; I311-N313 VanDerWaalsContact C-N 3.29Å; I311-N313 PolarHBondContact O-N 2.94Å; I311-F314 PolarHBondContact O-N 3.28Å; I311-F314 VanDerWaalsContact O-N 3.14Å; I311-W315 WeakPolarHBondContact O-CB 3.41Å; I311-W315 PolarHBondContact O-N 2.92Å; I311-L318 HydrophobicContact CG2-CD1 3.6Å; I311-V325 HydrophobicContact CD1-CG2 4.18Å
312	T	72.3	Confident	74.3	Confident	37 Å²	37	57.9 Å²	57.9	23%	0.227	35%	0.352	C	S	.	.	H	α-helix	trans	-69.3	-23.1	-174.8	51.5	0	0	0	0	113.9	V310 L318 P319	V310-T312 WeakPolarHBondContact CG1-OG1 3.24Å; V310-T312 PolarHBondContact O-N 2.86Å; T312-L318 HydrophobicContact CG2-CB 4.34Å; T312-P319 VanDerWaalsContact CG2-O 3.27Å; T312-P319 WeakPolarHBondContact CG2-O 3.36Å
313	N	68.1	Low	75.1	Confident	122 Å²	122	61.8 Å²	61.8	65%	0.652	37%	0.37	S	S	*	.	H	α-helix	trans	-74.8	-31.7	173.7	-70.5	-0.7	0	0	0	111.7	V310 I311	V310-N313 HydrophobicContact CB-CB 4.24Å; V310-N313 PolarHBondContact O-N 3.27Å; I311-N313 VanDerWaalsContact C-N 3.29Å; I311-N313 PolarHBondContact O-N 2.94Å
314	F	68.3	Low	75.9	Confident	66 Å²	66	64 Å²	64	29%	0.289	38%	0.378	S	S	.	.	H	α-helix	trans	-91.4	-43.8	-179.1	-169.8	-90.2	0	0	0	112.2	F287 F294 V310 I311 I316 T351	F287-F314 HydrophobicContact CE1-CE1 4.08Å; F287-F314 HydrophobicContact CE1-CZ 4.39Å; F287-F314 HydrophobicContact CZ-CE1 4.43Å; F294-F314 HydrophobicContact CE1-CB 3.67Å; F294-F314 HydrophobicContact CE1-CD1 4.42Å; F294-F314 HydrophobicContact CE1-CG 4.05Å; F294-F314 HydrophobicContact CZ-CB 3.78Å; F294-F314 AromaticContact CZ-CD1 3.99Å; F294-F314 HydrophobicContact CZ-CD1 3.99Å; F294-F314 AromaticContact CZ-CD2 3.99Å; F294-F314 HydrophobicContact CZ-CD2 3.99Å; F294-F314 AromaticContact CZ-CG 3.64Å; F294-F314 HydrophobicContact CZ-CG 3.64Å; V310-F314 PolarHBondContact O-N 3.24Å; I311-F314 PolarHBondContact O-N 3.28Å; I311-F314 VanDerWaalsContact O-N 3.14Å; F314-I316 PolarHBondContact O-N 3.02Å; F314-T351 HydrophobicContact CD1-CG2 4.04Å; F314-T351 HydrophobicContact CE1-CG2 3.57Å; F314-T351 HydrophobicContact CZ-CG2 3.89Å; F314-T351 VanDerWaalsContact O-CB 3.29Å; F314-T351 WeakPolarHBondContact O-CB 3.47Å
315	W	76.2	Confident	77.4	Confident	3 Å²	3	61 Å²	61	1%	0.011	36%	0.36	C	S	.	.	S	Bend	trans	-97.4	88.4	-178.3	-62.7	100.8	0	0	0	110.6	I282 F287 F289 I311 G317 L318 I337 F339 F348 D350 T351	I282-W315 HydrophobicContact CD1-CH2 3.91Å; I282-W315 HydrophobicContact CD1-CZ2 3.86Å; F287-W315 HydrophobicContact CE1-CZ2 4.17Å; F289-W315 AromaticContact CE1-NE1 3.65Å; F289-W315 HydrophobicContact CZ-CZ2 4.48Å; F289-W315 AromaticContact CZ-NE1 3.87Å; I311-W315 WeakPolarHBondContact O-CB 3.41Å; I311-W315 PolarHBondContact O-N 2.92Å; W315-G317 PolarHBondContact O-N 2.75Å; W315-L318 HydrophobicContact CB-CD1 3.67Å; W315-L318 HydrophobicContact CB-CG 4.23Å; W315-L318 HydrophobicContact CG-CD1 4.45Å; W315-L318 PolarHBondContact O-N 3.18Å; W315-I337 HydrophobicContact CH2-CD1 3.92Å; W315-I337 HydrophobicContact CH2-CG2 4.18Å; W315-I337 HydrophobicContact CZ3-CB 4.47Å; W315-I337 HydrophobicContact CZ3-CD1 3.94Å; W315-I337 HydrophobicContact CZ3-CG2 4.28Å; W315-F339 HydrophobicContact CD2-CE1 4.3Å; W315-F339 AromaticContact CD2-CE2 3.89Å; W315-F339 HydrophobicContact CD2-CE2 3.89Å; W315-F339 AromaticContact CD2-CZ 3.46Å; W315-F339 HydrophobicContact CD2-CZ 3.46Å; W315-F339 VanDerWaalsContact CD2-CZ 3.46Å; W315-F339 AromaticContact CE2-CZ 3.41Å; W315-F339 VanDerWaalsContact CE2-CZ 3.41Å; W315-F339 AromaticContact CE3-CE2 3.76Å; W315-F339 HydrophobicContact CE3-CE2 3.76Å; W315-F339 AromaticContact CE3-CZ 3.85Å; W315-F339 HydrophobicContact CE3-CZ 3.85Å; W315-F339 HydrophobicContact CG-CE1 4.29Å; W315-F339 AromaticContact CG-CZ 3.9Å; W315-F339 HydrophobicContact CG-CZ 3.9Å; W315-F339 AromaticContact CH2-CE2 4Å; W315-F339 HydrophobicContact CH2-CE2 4Å; W315-F339 HydrophobicContact CH2-CZ 4.15Å; W315-F339 HydrophobicContact CZ2-CE2 4.11Å; W315-F339 AromaticContact CZ2-CZ 3.79Å; W315-F339 HydrophobicContact CZ2-CZ 3.79Å; W315-F339 AromaticContact CZ3-CE2 3.8Å; W315-F339 HydrophobicContact CZ3-CE2 3.8Å; W315-F339 HydrophobicContact CZ3-CZ 4.16Å; W315-F339 AromaticContact NE1-CZ 3.73Å; W315-F348 HydrophobicContact CB-CE1 4.1Å; W315-F348 HydrophobicContact CB-CZ 4.39Å; W315-F348 HydrophobicContact CE3-CB 4.45Å; W315-F348 AromaticContact CE3-CD1 3.79Å; W315-F348 HydrophobicContact CE3-CD1 3.79Å; W315-F348 HydrophobicContact CE3-CD2 4.49Å; W315-F348 HydrophobicContact CE3-CE1 4.19Å; W315-F348 AromaticContact CE3-CG 3.98Å; W315-F348 HydrophobicContact CE3-CG 3.98Å; W315-F348 HydrophobicContact CZ3-CB 4.28Å; W315-F348 HydrophobicContact CZ3-CD1 4.43Å; W315-F348 HydrophobicContact CZ3-CG 4.28Å; W315-D350 VanDerWaalsContact CZ3-O 3.27Å; W315-D350 WeakPolarHBondContact CZ3-O 3.38Å; W315-T351 CarbonylContact C-O 3.23Å
316	I	71.9	Confident	78.7	Confident	92 Å²	92	59.3 Å²	59.3	47%	0.472	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-69.4	121.9	-171.4	-54.9	173.5	0	0	0	110.4	F314 T351 V353	F314-I316 PolarHBondContact O-N 3.02Å; I316-T351 PolarHBondContact N-O 3.19Å; I316-V353 PolarHBondContact O-N 2.89Å
317	G	76.8	Confident	80.1	Confident	45 Å²	45	54.8 Å²	54.8	46%	0.464	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.4	1.2	177.7	0	0	0	0	0	114.6	W315	W315-G317 PolarHBondContact O-N 2.75Å
318	L	83.9	Confident	81.3	Confident	14 Å²	14	47.3 Å²	47.3	7%	0.073	30%	0.295	C	S	.	.	S	Bend	trans	-68.5	146.6	158.9	-68.8	177.1	0	0	0	110.3	I311 T312 W315 T322 F339 I341 W346 F348	I311-L318 HydrophobicContact CG2-CD1 3.6Å; T312-L318 HydrophobicContact CG2-CB 4.34Å; W315-L318 HydrophobicContact CB-CD1 3.67Å; W315-L318 HydrophobicContact CB-CG 4.23Å; W315-L318 HydrophobicContact CG-CD1 4.45Å; W315-L318 PolarHBondContact O-N 3.18Å; L318-T322 HydrophobicContact CD1-CG2 4.35Å; L318-F339 HydrophobicContact CD1-CD1 4.41Å; L318-F339 HydrophobicContact CD1-CE1 4.44Å; L318-I341 HydrophobicContact CD2-CD1 3.85Å; L318-W346 HydrophobicContact CD2-CD2 4.19Å; L318-W346 HydrophobicContact CD2-CG 4.04Å; L318-F348 HydrophobicContact CD1-CZ 4.32Å; L318-F348 HydrophobicContact CD2-CE2 4.18Å; L318-F348 HydrophobicContact CD2-CZ 3.67Å; L318-F348 HydrophobicContact CG-CE1 4.48Å; L318-F348 HydrophobicContact CG-CZ 3.71Å
319	P	84.4	Confident	82.1	Confident	70 Å²	70	45.1 Å²	45.1	46%	0.455	28%	0.281	S	S	.	.			trans	-53.8	141.8	172.6	-25.4	33.6	0	0	0	112.4	T312 G321 T322	T312-P319 VanDerWaalsContact CG2-O 3.27Å; T312-P319 WeakPolarHBondContact CG2-O 3.36Å; P319-G321 PolarHBondContact O-N 3.12Å; P319-T322 WeakPolarHBondContact CD-OG1 3.27Å; P319-T322 WeakPolarHBondContact O-CB 3.35Å; P319-T322 PolarHBondContact O-N 2.98Å; P319-T322 PolarHBondContact O-OG1 3.34Å; P319-T322 VanDerWaalsContact O-OG1 3.06Å
320	S	69.6	Low	83	Confident	123 Å²	123	45 Å²	45	86%	0.86	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-19	-178.8	52.2	0	0	0	0	114.3
321	G	77.9	Confident	83.5	Confident	59 Å²	59	44.5 Å²	44.5	61%	0.608	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	7.2	175	0	0	0	0	0	115.3	P319 N323	P319-G321 PolarHBondContact O-N 3.12Å; G321-N323 PolarHBondContact O-N 3.48Å
322	T	85.6	Confident	83.6	Confident	15 Å²	15	50 Å²	50	9%	0.092	29%	0.29	C	S	.	.			trans	-64.4	109.9	179.3	-65.1	0	0	0	0	110.5	L318 P319 V325 I341	L318-T322 HydrophobicContact CD1-CG2 4.35Å; P319-T322 WeakPolarHBondContact CD-OG1 3.27Å; P319-T322 WeakPolarHBondContact O-CB 3.35Å; P319-T322 PolarHBondContact O-N 2.98Å; P319-T322 PolarHBondContact O-OG1 3.34Å; P319-T322 VanDerWaalsContact O-OG1 3.06Å; T322-V325 HydrophobicContact CG2-CG2 4.46Å; T322-I341 HydrophobicContact CG2-CD1 4.04Å
323	N	87.9	Confident	83.9	Confident	115 Å²	115	51.4 Å²	51.4	62%	0.615	30%	0.301	S	S	*	.			trans	-122.7	13.9	-177.6	68.3	-14.7	0	0	0	112.6	G291 G321	G291-N323 CarbonylContact C-O 3.44Å; G291-N323 WeakPolarHBondContact CA-O 3.46Å; G291-N323 CarbonylContact O-C 3.53Å; G291-N323 VanDerWaalsContact O-O 3.09Å; G321-N323 PolarHBondContact O-N 3.48Å
324	K	90.6	Very high	84.6	Confident	73 Å²	73	48.5 Å²	48.5	32%	0.317	29%	0.286	S	S	.	.			trans	-161.9	146	173.9	-167.2	172.3	-173.2	-118.5	0	110.1	D277 D326 I341	D277-K324 HydrophobicContact CB-CG 4.05Å; D277-K324 WeakPolarHBondContact OD1-CE 3.49Å; K324-D326 IonicContact NZ-OD1 3.64Å; K324-D326 PolarHBondContact NZ-OD1 3.25Å; K324-I341 WeakPolarHBondContact O-CG2 3.11Å
325	V	95.3	Very high	85.3	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.29	C	S	.	.			trans	-130	132.1	168.3	-179.2	0	0	0	0	107.1	D277 A278 I311 T322 V328 F339 I341	D277-V325 CarbonylContact C-O 3.4Å; D277-V325 VanDerWaalsContact CB-O 3.31Å; D277-V325 WeakPolarHBondContact CB-O 3.14Å; A278-V325 HydrophobicContact CB-CG1 4.47Å; I311-V325 HydrophobicContact CD1-CG2 4.18Å; T322-V325 HydrophobicContact CG2-CG2 4.46Å; V325-V328 HydrophobicContact CG1-CG2 3.3Å; V325-F339 HydrophobicContact CB-CD1 4.45Å; V325-F339 HydrophobicContact CG1-CD1 3.58Å; V325-F339 HydrophobicContact CG1-CE1 4.07Å; V325-F339 HydrophobicContact CG1-CG 4.4Å; V325-F339 HydrophobicContact CG2-CD1 3.96Å; V325-F339 HydrophobicContact CG2-CE1 4.1Å; V325-I341 HydrophobicContact CG1-CG1 4.26Å; V325-I341 HydrophobicContact CG2-CD1 4.19Å; V325-I341 HydrophobicContact CG2-CG1 4.43Å
326	D	96	Very high	85.9	Confident	18 Å²	18	49.8 Å²	49.8	10%	0.096	30%	0.298	C	S	.	.			trans	-91.2	-36.1	-171.3	-61.1	-52.4	0	0	0	113.1	K324 F340 G342 V377	K324-D326 IonicContact NZ-OD1 3.64Å; K324-D326 PolarHBondContact NZ-OD1 3.25Å; D326-F340 PolarHBondContact N-O 3.48Å; D326-G342 PolarHBondContact OD2-N 3.35Å; D326-V377 WeakPolarHBondContact CB-O 3.08Å
327	A	97.1	Very high	86.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	146.6	173.5	0	0	0	0	0	110.5	F340 V377 A380	A327-F340 HydrophobicContact CB-CB 4.34Å; A327-F340 HydrophobicContact CB-CD2 4.09Å; A327-F340 PolarHBondContact N-O 2.9Å; A327-F340 PolarHBondContact O-N 2.73Å; A327-V377 HydrophobicContact CB-CB 4.2Å; A327-V377 HydrophobicContact CB-CG1 3.74Å; A327-A380 HydrophobicContact CB-CB 3.95Å
328	V	97.7	Very high	87.9	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	135.8	177.6	-176	0	0	0	0	110.6	A280 I282 F289 V325 I337 I338 F339	A280-V328 HydrophobicContact CB-CB 3.71Å; A280-V328 HydrophobicContact CB-CG1 3.93Å; A280-V328 VanDerWaalsContact CB-O 3.24Å; A280-V328 WeakPolarHBondContact CB-O 3.46Å; I282-V328 HydrophobicContact CD1-CG1 3.98Å; F289-V328 HydrophobicContact CE2-CG2 4.23Å; V325-V328 HydrophobicContact CG1-CG2 3.3Å; V328-I337 HydrophobicContact CG1-CG2 3.62Å; V328-I338 VanDerWaalsContact CA-O 3.32Å; V328-I338 WeakPolarHBondContact CA-O 3.21Å; V328-F339 HydrophobicContact CG1-CD2 3.72Å; V328-F339 HydrophobicContact CG1-CE2 3.5Å; V328-F339 HydrophobicContact CG1-CG 4.31Å; V328-F339 HydrophobicContact CG1-CZ 3.91Å; V328-F339 HydrophobicContact CG2-CD1 3.69Å; V328-F339 HydrophobicContact CG2-CD2 4.1Å; V328-F339 HydrophobicContact CG2-CE1 3.74Å; V328-F339 HydrophobicContact CG2-CE2 4.16Å; V328-F339 HydrophobicContact CG2-CG 3.85Å; V328-F339 HydrophobicContact CG2-CZ 3.95Å
329	Y	96.1	Very high	88.5	Confident	5 Å²	5	42.7 Å²	42.7	2%	0.02	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.4	170.4	79.4	-78.6	0	0	0	112.5	R331 I337 I338 F340 W364 A380 V382 T389 L391 E402	Y329-R331 HydrophobicContact CE2-CB 3.86Å; Y329-I337 WeakPolarHBondContact O-CA 3.1Å; Y329-I338 HydrophobicContact CD1-CB 4.05Å; Y329-I338 HydrophobicContact CE1-CB 3.58Å; Y329-I338 HydrophobicContact CE1-CD1 4.15Å; Y329-I338 HydrophobicContact CE1-CG1 4.12Å; Y329-I338 HydrophobicContact CE1-CG2 3.94Å; Y329-I338 HydrophobicContact CE2-CD1 4.06Å; Y329-I338 PolarHBondContact N-O 3.25Å; Y329-I338 VanDerWaalsContact N-O 3.16Å; Y329-I338 PolarHBondContact O-N 3.34Å; Y329-F340 AromaticContact CD1-CE2 3.89Å; Y329-F340 HydrophobicContact CD1-CE2 3.89Å; Y329-F340 AromaticContact CE1-CE2 3.63Å; Y329-F340 HydrophobicContact CE1-CE2 3.63Å; Y329-F340 HydrophobicContact CE1-CZ 4.06Å; Y329-W364 WeakPolarHBondContact OH-CH2 3.41Å; Y329-A380 HydrophobicContact CD1-CB 3.62Å; Y329-A380 HydrophobicContact CE1-CB 4.49Å; Y329-A380 HydrophobicContact CG-CB 4.13Å; Y329-V382 HydrophobicContact CD2-CG2 3.73Å; Y329-V382 HydrophobicContact CE2-CG2 4.17Å; Y329-T389 HydrophobicContact CD2-CG2 4.05Å; Y329-T389 HydrophobicContact CE1-CG2 4.21Å; Y329-T389 HydrophobicContact CE2-CG2 3.49Å; Y329-T389 VanDerWaalsContact CE2-CG2 3.49Å; Y329-L391 HydrophobicContact CD1-CD2 4.33Å; Y329-L391 HydrophobicContact CE1-CD2 4.07Å; Y329-E402 PolarHBondContact OH-OE2 2.92Å
330	E	90.3	Very high	89.2	Confident	40 Å²	40	39.4 Å²	39.4	19%	0.187	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.6	168.4	-176.3	-175.9	176.8	0	0	110.1	R283 K332 S335 I337 V382	R283-E330 WeakPolarHBondContact CA-OE2 3.24Å; R283-E330 PolarHBondContact N-OE2 3.36Å; E330-K332 PolarHBondContact O-N 3.05Å; E330-S335 WeakPolarHBondContact OE1-CB 3.04Å; E330-S335 PolarHBondContact OE1-OG 2.95Å; E330-I337 HydrophobicContact CB-CG1 4.45Å; E330-I337 HydrophobicContact CG-CG1 4.41Å; E330-V382 VanDerWaalsContact O-CG2 3.31Å; E330-V382 WeakPolarHBondContact O-CG2 3.22Å
331	R	89.1	Confident	90.4	Very high	36 Å²	36	35 Å²	35	14%	0.136	20%	0.195	C	C	.	.			trans	-75.5	122.6	175.6	177.6	165	68.7	-168.2	1.1	110.9	Y329 S333 D334 S335 K336 I338 E402	Y329-R331 HydrophobicContact CE2-CB 3.86Å; R331-S333 VanDerWaalsContact C-N 3.32Å; R331-S333 WeakPolarHBondContact CG-OG 3.1Å; R331-S333 PolarHBondContact O-N 2.8Å; R331-D334 IonicContact CZ-OD1 3.35Å; R331-D334 IonicContact CZ-OD2 3.44Å; R331-D334 IonicContact NE-OD1 3.41Å; R331-D334 PolarHBondContact NE-OD1 3.44Å; R331-D334 IonicContact NE-OD2 3.4Å; R331-D334 PolarHBondContact NE-OD2 3.1Å; R331-D334 IonicContact NH2-OD1 3.13Å; R331-D334 PolarHBondContact NH2-OD1 3.21Å; R331-D334 IonicContact NH2-OD2 2.74Å; R331-D334 PolarHBondContact NH2-OD2 3.16Å; R331-S335 WeakPolarHBondContact O-CA 3.38Å; R331-S335 PolarHBondContact O-N 3.37Å; R331-K336 PolarHBondContact N-O 3.09Å; R331-I338 HydrophobicContact CB-CD1 3.58Å; R331-E402 WeakPolarHBondContact CD-OE1 3.35Å; R331-E402 VanDerWaalsContact CD-OE2 3.28Å; R331-E402 WeakPolarHBondContact CD-OE2 3.33Å; R331-E402 HydrophobicContact CG-CB 4.42Å; R331-E402 WeakPolarHBondContact CG-OE2 3.49Å; R331-E402 IonicContact CZ-OE1 2.61Å; R331-E402 IonicContact NE-OE1 2.65Å; R331-E402 IonicContact NH1-OE1 3.93Å; R331-E402 PolarHBondContact NH1-OE1 2.99Å; R331-E402 VanDerWaalsContact NH1-OE1 3.16Å
332	K	80.7	Confident	91.2	Very high	117 Å²	117	33.6 Å²	33.6	51%	0.509	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-26	-176.4	-76.1	-168.8	-177	178.4	0	115.1	E330 V382	E330-K332 PolarHBondContact O-N 3.05Å; K332-V382 HydrophobicContact CB-CG1 4.41Å; K332-V382 HydrophobicContact CD-CB 4.35Å; K332-V382 HydrophobicContact CD-CG1 3.54Å; K332-V382 HydrophobicContact CG-CB 4.25Å; K332-V382 HydrophobicContact CG-CG1 3.75Å; K332-V382 HydrophobicContact CG-CG2 4.43Å
333	S	79.1	Confident	91.6	Very high	66 Å²	66	36.3 Å²	36.3	46%	0.462	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-26	-173.8	55.4	0	0	0	0	114	R331 E402	R331-S333 VanDerWaalsContact C-N 3.32Å; R331-S333 WeakPolarHBondContact CG-OG 3.1Å; R331-S333 PolarHBondContact O-N 2.8Å; S333-E402 WeakPolarHBondContact CB-O 3.46Å; S333-E402 PolarHBondContact OG-O 2.89Å; S333-E402 VanDerWaalsContact OG-O 3.06Å
334	D	83	Confident	92	Very high	61 Å²	61	34.8 Å²	34.8	33%	0.326	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.4	9.4	-178.4	66.1	-3.2	0	0	0	114.8	R331 K336	R331-D334 IonicContact CZ-OD1 3.35Å; R331-D334 IonicContact CZ-OD2 3.44Å; R331-D334 IonicContact NE-OD1 3.41Å; R331-D334 PolarHBondContact NE-OD1 3.44Å; R331-D334 IonicContact NE-OD2 3.4Å; R331-D334 PolarHBondContact NE-OD2 3.1Å; R331-D334 IonicContact NH2-OD1 3.13Å; R331-D334 PolarHBondContact NH2-OD1 3.21Å; R331-D334 IonicContact NH2-OD2 2.74Å; R331-D334 PolarHBondContact NH2-OD2 3.16Å; D334-K336 HydrophobicContact CB-CG 4.32Å; D334-K336 PolarHBondContact O-N 2.8Å; D334-K336 VanDerWaalsContact O-N 3.09Å; D334-K336 WeakPolarHBondContact OD1-CB 3.31Å; D334-K336 VanDerWaalsContact OD1-CG 3.32Å; D334-K336 WeakPolarHBondContact OD1-CG 3.47Å; D334-K336 PolarHBondContact OD1-N 3.4Å; D334-K336 VanDerWaalsContact OD2-CG 3.26Å; D334-K336 WeakPolarHBondContact OD2-CG 3.33Å
335	S	82.4	Confident	92.3	Very high	54 Å²	54	31.3 Å²	31.3	38%	0.378	17%	0.174	S	C	.	.			trans	54.9	24.4	-179.6	-70.5	0	0	0	0	114.3	E330 R331	E330-S335 WeakPolarHBondContact OE1-CB 3.04Å; E330-S335 PolarHBondContact OE1-OG 2.95Å; R331-S335 WeakPolarHBondContact O-CA 3.38Å; R331-S335 PolarHBondContact O-N 3.37Å
336	K	88.8	Confident	92.4	Very high	42 Å²	42	31.9 Å²	31.9	18%	0.183	18%	0.177	C	C	.	.			trans	-76.2	147.7	170.2	-60.4	-61.6	175.1	-178	0	109.7	R331 D334 I338 V347 F348 S349 M354	R331-K336 PolarHBondContact N-O 3.09Å; D334-K336 HydrophobicContact CB-CG 4.32Å; D334-K336 PolarHBondContact O-N 2.8Å; D334-K336 VanDerWaalsContact O-N 3.09Å; D334-K336 WeakPolarHBondContact OD1-CB 3.31Å; D334-K336 VanDerWaalsContact OD1-CG 3.32Å; D334-K336 WeakPolarHBondContact OD1-CG 3.47Å; D334-K336 PolarHBondContact OD1-N 3.4Å; D334-K336 VanDerWaalsContact OD2-CG 3.26Å; D334-K336 WeakPolarHBondContact OD2-CG 3.33Å; K336-I338 HydrophobicContact CB-CD1 4.4Å; K336-I338 WeakPolarHBondContact O-CD1 3.24Å; K336-V347 HydrophobicContact CB-CG1 3.67Å; K336-V347 HydrophobicContact CD-CG1 4.43Å; K336-V347 HydrophobicContact CG-CG1 4.07Å; K336-F348 WeakPolarHBondContact CA-O 3.43Å; K336-F348 WeakPolarHBondContact CD-O 3.5Å; K336-S349 VanDerWaalsContact NZ-CB 3.25Å; K336-S349 PolarHBondContact NZ-OG 2.84Å; K336-M354 HydrophobicContact CD-SD 3.69Å; K336-M354 HydrophobicContact CG-SD 4.38Å
337	I	93.4	Very high	92.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.5	-179.7	-58.2	141.8	0	0	0	107.4	I282 W315 V328 Y329 E330 F339 F348 D350	I282-I337 HydrophobicContact CD1-CG2 4.04Å; I282-I337 HydrophobicContact CG1-CG2 4.19Å; I282-I337 HydrophobicContact CG2-CD1 3.63Å; I282-I337 HydrophobicContact CG2-CG1 3.91Å; W315-I337 HydrophobicContact CH2-CD1 3.92Å; W315-I337 HydrophobicContact CH2-CG2 4.18Å; W315-I337 HydrophobicContact CZ3-CB 4.47Å; W315-I337 HydrophobicContact CZ3-CD1 3.94Å; W315-I337 HydrophobicContact CZ3-CG2 4.28Å; V328-I337 HydrophobicContact CG1-CG2 3.62Å; Y329-I337 WeakPolarHBondContact O-CA 3.1Å; E330-I337 HydrophobicContact CB-CG1 4.45Å; E330-I337 HydrophobicContact CG-CG1 4.41Å; I337-F339 HydrophobicContact CG2-CD2 3.95Å; I337-F339 HydrophobicContact CG2-CE2 3.57Å; I337-F348 HydrophobicContact CB-CB 4.22Å; I337-F348 PolarHBondContact N-O 2.93Å; I337-F348 VanDerWaalsContact N-O 3.09Å; I337-F348 PolarHBondContact O-N 2.81Å; I337-D350 WeakPolarHBondContact CD1-O 3.45Å
338	I	96.8	Very high	91.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.3	-174.2	-63	84	0	0	0	107.7	V328 Y329 R331 K336 F340 Y345 W346 V347 W364	V328-I338 VanDerWaalsContact CA-O 3.32Å; V328-I338 WeakPolarHBondContact CA-O 3.21Å; Y329-I338 HydrophobicContact CD1-CB 4.05Å; Y329-I338 HydrophobicContact CE1-CB 3.58Å; Y329-I338 HydrophobicContact CE1-CD1 4.15Å; Y329-I338 HydrophobicContact CE1-CG1 4.12Å; Y329-I338 HydrophobicContact CE1-CG2 3.94Å; Y329-I338 HydrophobicContact CE2-CD1 4.06Å; Y329-I338 PolarHBondContact N-O 3.25Å; Y329-I338 VanDerWaalsContact N-O 3.16Å; Y329-I338 PolarHBondContact O-N 3.34Å; R331-I338 HydrophobicContact CB-CD1 3.58Å; K336-I338 HydrophobicContact CB-CD1 4.4Å; K336-I338 WeakPolarHBondContact O-CD1 3.24Å; I338-F340 HydrophobicContact CG2-CD2 4.25Å; I338-F340 HydrophobicContact CG2-CE1 4.16Å; I338-F340 HydrophobicContact CG2-CE2 3.75Å; I338-F340 HydrophobicContact CG2-CZ 3.68Å; I338-Y345 HydrophobicContact CG2-CD2 4.12Å; I338-W346 WeakPolarHBondContact CA-O 3.32Å; I338-V347 HydrophobicContact CG1-CG2 4.1Å; I338-W364 HydrophobicContact CG2-CZ2 4.32Å
339	F	97.8	Very high	91.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.6	173.5	-81.7	-121.2	0	0	0	108.5	F289 W315 L318 V325 V328 I337 Y345 W346 F348	F289-F339 HydrophobicContact CE1-CE1 4.17Å; F289-F339 HydrophobicContact CE1-CZ 4.29Å; F289-F339 HydrophobicContact CZ-CE1 4.21Å; F289-F339 AromaticContact CZ-CZ 3.98Å; F289-F339 HydrophobicContact CZ-CZ 3.98Å; W315-F339 HydrophobicContact CD2-CE1 4.3Å; W315-F339 AromaticContact CD2-CE2 3.89Å; W315-F339 HydrophobicContact CD2-CE2 3.89Å; W315-F339 AromaticContact CD2-CZ 3.46Å; W315-F339 HydrophobicContact CD2-CZ 3.46Å; W315-F339 VanDerWaalsContact CD2-CZ 3.46Å; W315-F339 AromaticContact CE2-CZ 3.41Å; W315-F339 VanDerWaalsContact CE2-CZ 3.41Å; W315-F339 AromaticContact CE3-CE2 3.76Å; W315-F339 HydrophobicContact CE3-CE2 3.76Å; W315-F339 AromaticContact CE3-CZ 3.85Å; W315-F339 HydrophobicContact CE3-CZ 3.85Å; W315-F339 HydrophobicContact CG-CE1 4.29Å; W315-F339 AromaticContact CG-CZ 3.9Å; W315-F339 HydrophobicContact CG-CZ 3.9Å; W315-F339 AromaticContact CH2-CE2 4Å; W315-F339 HydrophobicContact CH2-CE2 4Å; W315-F339 HydrophobicContact CH2-CZ 4.15Å; W315-F339 HydrophobicContact CZ2-CE2 4.11Å; W315-F339 AromaticContact CZ2-CZ 3.79Å; W315-F339 HydrophobicContact CZ2-CZ 3.79Å; W315-F339 AromaticContact CZ3-CE2 3.8Å; W315-F339 HydrophobicContact CZ3-CE2 3.8Å; W315-F339 HydrophobicContact CZ3-CZ 4.16Å; W315-F339 AromaticContact NE1-CZ 3.73Å; L318-F339 HydrophobicContact CD1-CD1 4.41Å; L318-F339 HydrophobicContact CD1-CE1 4.44Å; V325-F339 HydrophobicContact CB-CD1 4.45Å; V325-F339 HydrophobicContact CG1-CD1 3.58Å; V325-F339 HydrophobicContact CG1-CE1 4.07Å; V325-F339 HydrophobicContact CG1-CG 4.4Å; V325-F339 HydrophobicContact CG2-CD1 3.96Å; V325-F339 HydrophobicContact CG2-CE1 4.1Å; V328-F339 HydrophobicContact CG1-CD2 3.72Å; V328-F339 HydrophobicContact CG1-CE2 3.5Å; V328-F339 HydrophobicContact CG1-CG 4.31Å; V328-F339 HydrophobicContact CG1-CZ 3.91Å; V328-F339 HydrophobicContact CG2-CD1 3.69Å; V328-F339 HydrophobicContact CG2-CD2 4.1Å; V328-F339 HydrophobicContact CG2-CE1 3.74Å; V328-F339 HydrophobicContact CG2-CE2 4.16Å; V328-F339 HydrophobicContact CG2-CG 3.85Å; V328-F339 HydrophobicContact CG2-CZ 3.95Å; I337-F339 HydrophobicContact CG2-CD2 3.95Å; I337-F339 HydrophobicContact CG2-CE2 3.57Å; F339-Y345 CarbonylContact O-C 3.12Å; F339-Y345 WeakPolarHBondContact O-CA 3.08Å; F339-Y345 WeakPolarHBondContact O-CB 3.39Å; F339-W346 HydrophobicContact CB-CB 4.28Å; F339-W346 PolarHBondContact N-O 2.95Å; F339-W346 PolarHBondContact O-N 2.95Å; F339-F348 HydrophobicContact CB-CD2 4.5Å; F339-F348 HydrophobicContact CB-CE2 4.03Å; F339-F348 HydrophobicContact CD1-CE2 4.46Å; F339-F348 AromaticContact CD2-CD2 3.51Å; F339-F348 HydrophobicContact CD2-CD2 3.51Å; F339-F348 AromaticContact CD2-CE2 3.6Å; F339-F348 HydrophobicContact CD2-CE2 3.6Å; F339-F348 HydrophobicContact CE2-CD2 4Å; F339-F348 HydrophobicContact CE2-CE2 4.2Å; F339-F348 HydrophobicContact CG-CD2 4.15Å; F339-F348 AromaticContact CG-CE2 3.78Å; F339-F348 HydrophobicContact CG-CE2 3.78Å
340	F	97.6	Very high	90.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.5	167.3	-62	-80.2	0	0	0	109	D326 A327 Y329 I338 Y345 L361 W364 V377 A380 L391	D326-F340 PolarHBondContact N-O 3.48Å; A327-F340 HydrophobicContact CB-CB 4.34Å; A327-F340 HydrophobicContact CB-CD2 4.09Å; A327-F340 PolarHBondContact N-O 2.9Å; A327-F340 PolarHBondContact O-N 2.73Å; Y329-F340 AromaticContact CD1-CE2 3.89Å; Y329-F340 HydrophobicContact CD1-CE2 3.89Å; Y329-F340 AromaticContact CE1-CE2 3.63Å; Y329-F340 HydrophobicContact CE1-CE2 3.63Å; Y329-F340 HydrophobicContact CE1-CZ 4.06Å; I338-F340 HydrophobicContact CG2-CD2 4.25Å; I338-F340 HydrophobicContact CG2-CE1 4.16Å; I338-F340 HydrophobicContact CG2-CE2 3.75Å; I338-F340 HydrophobicContact CG2-CZ 3.68Å; F340-Y345 HydrophobicContact CE1-CG 4.4Å; F340-L361 HydrophobicContact CD1-CD1 3.76Å; F340-L361 HydrophobicContact CE1-CD1 3.66Å; F340-W364 HydrophobicContact CE1-CD2 4.43Å; F340-W364 AromaticContact CE1-CE2 3.88Å; F340-W364 HydrophobicContact CE1-CZ2 4.31Å; F340-W364 AromaticContact CE1-NE1 3.69Å; F340-W364 HydrophobicContact CZ-CD2 4.41Å; F340-W364 AromaticContact CZ-CE2 3.86Å; F340-W364 HydrophobicContact CZ-CH2 4.49Å; F340-W364 AromaticContact CZ-CZ2 3.89Å; F340-W364 HydrophobicContact CZ-CZ2 3.89Å; F340-V377 HydrophobicContact CB-CB 3.96Å; F340-V377 HydrophobicContact CB-CG2 4.24Å; F340-V377 HydrophobicContact CD1-CB 4.28Å; F340-V377 HydrophobicContact CD1-CG2 3.67Å; F340-V377 HydrophobicContact CD2-CB 4.11Å; F340-V377 HydrophobicContact CD2-CG1 4.1Å; F340-V377 HydrophobicContact CD2-CG2 4.22Å; F340-V377 HydrophobicContact CE1-CG2 3.99Å; F340-V377 HydrophobicContact CE2-CG1 4.41Å; F340-V377 HydrophobicContact CE2-CG2 4.48Å; F340-V377 HydrophobicContact CG-CB 3.87Å; F340-V377 HydrophobicContact CG-CG1 4.37Å; F340-V377 HydrophobicContact CG-CG2 3.79Å; F340-V377 HydrophobicContact CZ-CG2 4.38Å; F340-A380 HydrophobicContact CD2-CB 4.43Å; F340-A380 HydrophobicContact CE2-CB 4.2Å; F340-L391 HydrophobicContact CE1-CD1 4.47Å; F340-L391 HydrophobicContact CE2-CD1 4.36Å; F340-L391 HydrophobicContact CE2-CD2 3.78Å; F340-L391 HydrophobicContact CZ-CD1 3.78Å; F340-L391 HydrophobicContact CZ-CD2 4.02Å
341	I	96.3	Very high	89.4	Confident	31 Å²	31	35.5 Å²	35.5	16%	0.159	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	107.6	177.6	-45.4	176.6	0	0	0	107.3	L318 T322 K324 V325 S343 Q344 W346	L318-I341 HydrophobicContact CD2-CD1 3.85Å; T322-I341 HydrophobicContact CG2-CD1 4.04Å; K324-I341 WeakPolarHBondContact O-CG2 3.11Å; V325-I341 HydrophobicContact CG1-CG1 4.26Å; V325-I341 HydrophobicContact CG2-CD1 4.19Å; V325-I341 HydrophobicContact CG2-CG1 4.43Å; I341-S343 PolarHBondContact O-N 2.97Å; I341-Q344 PolarHBondContact N-O 3.38Å; I341-Q344 PolarHBondContact O-N 2.85Å; I341-W346 HydrophobicContact CB-CE3 4.22Å; I341-W346 HydrophobicContact CB-CH2 4.11Å; I341-W346 HydrophobicContact CB-CZ3 3.54Å; I341-W346 HydrophobicContact CD1-CE3 4.06Å; I341-W346 HydrophobicContact CD1-CH2 4.47Å; I341-W346 HydrophobicContact CD1-CZ3 4.06Å; I341-W346 HydrophobicContact CG1-CE3 4.06Å; I341-W346 HydrophobicContact CG1-CZ3 3.9Å
342	G	94.1	Very high	88.6	Confident	29 Å²	29	40.3 Å²	40.3	30%	0.299	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	-132	-169.6	0	0	0	0	0	111.9	D326 Q344 D375	D326-G342 PolarHBondContact OD2-N 3.35Å; G342-Q344 PolarHBondContact O-N 2.97Å; G342-D375 CarbonylContact C-O 3.48Å; G342-D375 VanDerWaalsContact C-O 3.23Å
343	S	94.7	Very high	89	Confident	73 Å²	73	36.2 Å²	36.2	51%	0.51	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	17.4	-179.4	60.3	0	0	0	0	113.8	I341 L361 D375	I341-S343 PolarHBondContact O-N 2.97Å; S343-L361 WeakPolarHBondContact O-CB 3.13Å; S343-L361 PolarHBondContact O-N 3.18Å; S343-D375 VanDerWaalsContact CA-O 3.26Å; S343-D375 WeakPolarHBondContact CA-O 3.42Å; S343-D375 PolarHBondContact N-O 3.23Å
344	Q	95.8	Very high	89.5	Confident	82 Å²	82	36.5 Å²	36.5	38%	0.383	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157.2	-179	-67.9	-173.7	-45.3	0	0	111.3	I341 G342 W346 P358 R359	I341-Q344 PolarHBondContact N-O 3.38Å; I341-Q344 PolarHBondContact O-N 2.85Å; G342-Q344 PolarHBondContact O-N 2.97Å; Q344-W346 HydrophobicContact CB-CE3 4.39Å; Q344-W346 HydrophobicContact CB-CH2 3.59Å; Q344-W346 HydrophobicContact CB-CZ3 3.45Å; Q344-W346 VanDerWaalsContact CB-CZ3 3.45Å; Q344-P358 HydrophobicContact CB-CB 4.07Å; Q344-P358 HydrophobicContact CG-CB 4.44Å; Q344-R359 CarbonylContact C-O 3.51Å; Q344-R359 VanDerWaalsContact CA-O 3.32Å; Q344-R359 WeakPolarHBondContact CA-O 3.2Å
345	Y	96.6	Very high	89.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.1	171.6	73.8	-75.5	0	0	0	111.9	I338 F339 F340 V347 Y357 P358 R359 P360 D363 W364	I338-Y345 HydrophobicContact CG2-CD2 4.12Å; F339-Y345 CarbonylContact O-C 3.12Å; F339-Y345 WeakPolarHBondContact O-CA 3.08Å; F339-Y345 WeakPolarHBondContact O-CB 3.39Å; F340-Y345 HydrophobicContact CE1-CG 4.4Å; Y345-V347 HydrophobicContact CD2-CG2 3.93Å; Y345-V347 HydrophobicContact CE2-CG2 3.84Å; Y345-Y357 HydrophobicContact CD2-CD1 4.41Å; Y345-Y357 HydrophobicContact CD2-CE1 4.07Å; Y345-Y357 HydrophobicContact CE2-CD1 4.17Å; Y345-Y357 AromaticContact CE2-CE1 3.45Å; Y345-Y357 HydrophobicContact CE2-CE1 3.45Å; Y345-Y357 VanDerWaalsContact CE2-CE1 3.45Å; Y345-Y357 AromaticContact CZ-CE1 3.9Å; Y345-P358 WeakPolarHBondContact O-CA 3.26Å; Y345-R359 HydrophobicContact CD1-CB 4.13Å; Y345-R359 WeakPolarHBondContact CD1-O 3.2Å; Y345-R359 HydrophobicContact CE1-CB 3.39Å; Y345-R359 HydrophobicContact CE2-CB 4.4Å; Y345-R359 PolarHBondContact N-O 2.78Å; Y345-R359 PolarHBondContact O-N 3.03Å; Y345-R359 WeakPolarHBondContact OH-CB 3.12Å; Y345-R359 PolarHBondContact OH-NH1 2.77Å; Y345-P360 VanDerWaalsContact CE1-O 3.32Å; Y345-P360 WeakPolarHBondContact CE1-O 3.49Å; Y345-D363 HydrophobicContact CE1-CB 3.98Å; Y345-D363 WeakPolarHBondContact CE1-OD2 3.44Å; Y345-D363 PolarHBondContact OH-OD2 2.89Å; Y345-W364 AromaticContact CD1-CD1 3.94Å; Y345-W364 AromaticContact CD1-NE1 3.62Å; Y345-W364 AromaticContact CD2-NE1 3.7Å; Y345-W364 AromaticContact CE1-CD1 3.9Å; Y345-W364 AromaticContact CE1-NE1 3.68Å; Y345-W364 AromaticContact CE2-NE1 3.72Å; Y345-W364 AromaticContact CG-NE1 3.66Å; Y345-W364 AromaticContact CZ-NE1 3.75Å
346	W	97.1	Very high	90.2	Very high	13 Å²	13	39.7 Å²	39.7	5%	0.049	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.3	176.5	-70.4	-113.7	0	0	0	107.9	L318 I338 F339 I341 Q344 F348 V353 P358	L318-W346 HydrophobicContact CD2-CD2 4.19Å; L318-W346 HydrophobicContact CD2-CG 4.04Å; I338-W346 WeakPolarHBondContact CA-O 3.32Å; F339-W346 HydrophobicContact CB-CB 4.28Å; F339-W346 PolarHBondContact N-O 2.95Å; F339-W346 PolarHBondContact O-N 2.95Å; I341-W346 HydrophobicContact CB-CE3 4.22Å; I341-W346 HydrophobicContact CB-CH2 4.11Å; I341-W346 HydrophobicContact CB-CZ3 3.54Å; I341-W346 HydrophobicContact CD1-CE3 4.06Å; I341-W346 HydrophobicContact CD1-CH2 4.47Å; I341-W346 HydrophobicContact CD1-CZ3 4.06Å; I341-W346 HydrophobicContact CG1-CE3 4.06Å; I341-W346 HydrophobicContact CG1-CZ3 3.9Å; Q344-W346 HydrophobicContact CB-CE3 4.39Å; Q344-W346 HydrophobicContact CB-CH2 3.59Å; Q344-W346 HydrophobicContact CB-CZ3 3.45Å; Q344-W346 VanDerWaalsContact CB-CZ3 3.45Å; W346-F348 HydrophobicContact CB-CD2 4.15Å; W346-F348 HydrophobicContact CB-CE2 3.46Å; W346-F348 VanDerWaalsContact CB-CE2 3.46Å; W346-F348 HydrophobicContact CB-CZ 4.14Å; W346-F348 HydrophobicContact CG-CE2 4.3Å; W346-V353 HydrophobicContact CB-CG2 4.3Å; W346-V353 HydrophobicContact CG-CG2 4.36Å; W346-P358 HydrophobicContact CD2-CB 3.82Å; W346-P358 VanDerWaalsContact CE2-CB 3.44Å; W346-P358 HydrophobicContact CE3-CB 4.24Å; W346-P358 HydrophobicContact CG-CB 4.39Å; W346-P358 HydrophobicContact CH2-CB 3.87Å; W346-P358 HydrophobicContact CH2-CG 4.32Å; W346-P358 HydrophobicContact CZ2-CB 3.5Å; W346-P358 VanDerWaalsContact CZ2-CB 3.5Å; W346-P358 HydrophobicContact CZ2-CG 3.62Å; W346-P358 HydrophobicContact CZ3-CB 4.22Å
347	V	95.4	Very high	90.4	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.1	172.1	-178.3	0	0	0	0	107.9	K336 I338 Y345 M354 Y357	K336-V347 HydrophobicContact CB-CG1 3.67Å; K336-V347 HydrophobicContact CD-CG1 4.43Å; K336-V347 HydrophobicContact CG-CG1 4.07Å; I338-V347 HydrophobicContact CG1-CG2 4.1Å; Y345-V347 HydrophobicContact CD2-CG2 3.93Å; Y345-V347 HydrophobicContact CE2-CG2 3.84Å; V347-M354 HydrophobicContact CG1-SD 3.79Å; V347-M354 WeakPolarHBondContact O-CB 3.2Å; V347-M354 WeakPolarHBondContact O-CG 3.46Å; V347-M354 PolarHBondContact O-N 3.22Å; V347-Y357 HydrophobicContact CB-CD1 4.21Å; V347-Y357 HydrophobicContact CB-CD2 4.03Å; V347-Y357 HydrophobicContact CB-CE1 3.87Å; V347-Y357 HydrophobicContact CB-CE2 3.64Å; V347-Y357 HydrophobicContact CB-CG 4.29Å; V347-Y357 HydrophobicContact CG2-CD1 3.94Å; V347-Y357 HydrophobicContact CG2-CE1 3.31Å; V347-Y357 HydrophobicContact CG2-CE2 3.96Å; V347-Y357 WeakPolarHBondContact CG2-OH 3.31Å
348	F	86.2	Confident	90.5	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.4	178.3	-70.7	-96.1	0	0	0	110.2	W315 L318 K336 I337 F339 W346 K352 V353	W315-F348 HydrophobicContact CB-CE1 4.1Å; W315-F348 HydrophobicContact CB-CZ 4.39Å; W315-F348 HydrophobicContact CE3-CB 4.45Å; W315-F348 AromaticContact CE3-CD1 3.79Å; W315-F348 HydrophobicContact CE3-CD1 3.79Å; W315-F348 HydrophobicContact CE3-CD2 4.49Å; W315-F348 HydrophobicContact CE3-CE1 4.19Å; W315-F348 AromaticContact CE3-CG 3.98Å; W315-F348 HydrophobicContact CE3-CG 3.98Å; W315-F348 HydrophobicContact CZ3-CB 4.28Å; W315-F348 HydrophobicContact CZ3-CD1 4.43Å; W315-F348 HydrophobicContact CZ3-CG 4.28Å; L318-F348 HydrophobicContact CD1-CZ 4.32Å; L318-F348 HydrophobicContact CD2-CE2 4.18Å; L318-F348 HydrophobicContact CD2-CZ 3.67Å; L318-F348 HydrophobicContact CG-CE1 4.48Å; L318-F348 HydrophobicContact CG-CZ 3.71Å; K336-F348 WeakPolarHBondContact CA-O 3.43Å; K336-F348 WeakPolarHBondContact CD-O 3.5Å; I337-F348 HydrophobicContact CB-CB 4.22Å; I337-F348 PolarHBondContact N-O 2.93Å; I337-F348 VanDerWaalsContact N-O 3.09Å; I337-F348 PolarHBondContact O-N 2.81Å; F339-F348 HydrophobicContact CB-CD2 4.5Å; F339-F348 HydrophobicContact CB-CE2 4.03Å; F339-F348 HydrophobicContact CD1-CE2 4.46Å; F339-F348 AromaticContact CD2-CD2 3.51Å; F339-F348 HydrophobicContact CD2-CD2 3.51Å; F339-F348 AromaticContact CD2-CE2 3.6Å; F339-F348 HydrophobicContact CD2-CE2 3.6Å; F339-F348 HydrophobicContact CE2-CD2 4Å; F339-F348 HydrophobicContact CE2-CE2 4.2Å; F339-F348 HydrophobicContact CG-CD2 4.15Å; F339-F348 AromaticContact CG-CE2 3.78Å; F339-F348 HydrophobicContact CG-CE2 3.78Å; W346-F348 HydrophobicContact CB-CD2 4.15Å; W346-F348 HydrophobicContact CB-CE2 3.46Å; W346-F348 VanDerWaalsContact CB-CE2 3.46Å; W346-F348 HydrophobicContact CB-CZ 4.14Å; W346-F348 HydrophobicContact CG-CE2 4.3Å; F348-K352 WeakPolarHBondContact CA-O 3.31Å; F348-K352 VanDerWaalsContact CD1-C 3.4Å; F348-V353 HydrophobicContact CD1-CB 4.34Å; F348-V353 VanDerWaalsContact CD1-N 3.35Å; F348-V353 HydrophobicContact CE1-CB 3.91Å; F348-V353 HydrophobicContact CZ-CB 4.2Å
349	S	82.3	Confident	90.4	Very high	32 Å²	32	47.6 Å²	47.6	22%	0.224	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.6	154.9	-164.6	0	0	0	0	106.9	K336 T351 K352	K336-S349 VanDerWaalsContact NZ-CB 3.25Å; K336-S349 PolarHBondContact NZ-OG 2.84Å; S349-T351 PolarHBondContact O-N 3.43Å; S349-T351 VanDerWaalsContact O-N 3.16Å; S349-K352 PolarHBondContact N-O 3.26Å; S349-K352 PolarHBondContact O-N 2.81Å
350	D	76.1	Confident	90.3	Very high	54 Å²	54	50.5 Å²	50.5	29%	0.289	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	-118.7	-173.4	-50.3	-74.8	0	0	0	109.5	R283 W315 I337	R283-D350 IonicContact CZ-OD1 3.38Å; R283-D350 IonicContact NH1-OD1 3.44Å; R283-D350 PolarHBondContact NH1-OD1 3.3Å; R283-D350 IonicContact NH2-OD1 2.69Å; R283-D350 PolarHBondContact NH2-OD1 3.45Å; W315-D350 VanDerWaalsContact CZ3-O 3.27Å; W315-D350 WeakPolarHBondContact CZ3-O 3.38Å; I337-D350 WeakPolarHBondContact CD1-O 3.45Å
351	T	73.6	Confident	90.2	Very high	50 Å²	50	50.7 Å²	50.7	31%	0.307	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	0.8	178.4	54.9	0	0	0	0	113.8	F314 W315 I316 S349	F314-T351 HydrophobicContact CD1-CG2 4.04Å; F314-T351 HydrophobicContact CE1-CG2 3.57Å; F314-T351 HydrophobicContact CZ-CG2 3.89Å; F314-T351 VanDerWaalsContact O-CB 3.29Å; F314-T351 WeakPolarHBondContact O-CB 3.47Å; W315-T351 CarbonylContact C-O 3.23Å; I316-T351 PolarHBondContact N-O 3.19Å; S349-T351 PolarHBondContact O-N 3.43Å; S349-T351 VanDerWaalsContact O-N 3.16Å
352	K	73.7	Confident	90	Very high	137 Å²	137	53 Å²	53	60%	0.596	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.5	-175.9	-169.5	176.2	-179.7	172.9	0	111.8	F348 S349 M354	F348-K352 WeakPolarHBondContact CA-O 3.31Å; F348-K352 VanDerWaalsContact CD1-C 3.4Å; S349-K352 PolarHBondContact N-O 3.26Å; S349-K352 PolarHBondContact O-N 2.81Å; K352-M354 PolarHBondContact O-N 3.07Å
353	V	87.3	Confident	90	Very high	31 Å²	31	53.2 Å²	53.2	19%	0.188	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	136	173.7	73.3	0	0	0	0	110.4	I316 W346 F348	I316-V353 PolarHBondContact O-N 2.89Å; W346-V353 HydrophobicContact CB-CG2 4.3Å; W346-V353 HydrophobicContact CG-CG2 4.36Å; F348-V353 HydrophobicContact CD1-CB 4.34Å; F348-V353 VanDerWaalsContact CD1-N 3.35Å; F348-V353 HydrophobicContact CE1-CB 3.91Å; F348-V353 HydrophobicContact CZ-CB 4.2Å
354	M	89.9	Confident	89.9	Confident	72 Å²	72	49.8 Å²	49.8	36%	0.355	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-71.6	152	173.2	-69.9	-175.4	57.5	0	0	111.2	K336 V347 K352 Y357	K336-M354 HydrophobicContact CD-SD 3.69Å; K336-M354 HydrophobicContact CG-SD 4.38Å; V347-M354 HydrophobicContact CG1-SD 3.79Å; V347-M354 WeakPolarHBondContact O-CB 3.2Å; V347-M354 WeakPolarHBondContact O-CG 3.46Å; V347-M354 PolarHBondContact O-N 3.22Å; K352-M354 PolarHBondContact O-N 3.07Å; M354-Y357 HydrophobicContact CB-CD2 3.73Å; M354-Y357 HydrophobicContact CB-CE2 3.89Å; M354-Y357 WeakPolarHBondContact O-CD2 3.11Å; M354-Y357 PolarHBondContact O-N 3.04Å
355	S	89.9	Confident	89.8	Confident	125 Å²	125	51.7 Å²	51.7	87%	0.874	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	140.6	173.7	-171.4	0	0	0	0	110.7
356	G	89.8	Confident	89.6	Confident	58 Å²	58	52 Å²	52	60%	0.598	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	3.8	-178.2	0	0	0	0	0	115.2	R359	G356-R359 WeakPolarHBondContact O-CG 3.21Å
357	Y	93.2	Very high	89.5	Confident	59 Å²	59	55 Å²	55	23%	0.231	31%	0.31	C	S	.	.			trans	-110.9	151.8	174.7	-66.3	-81.7	0	0	0	111.6	Y345 V347 M354 R359	Y345-Y357 HydrophobicContact CD2-CD1 4.41Å; Y345-Y357 HydrophobicContact CD2-CE1 4.07Å; Y345-Y357 HydrophobicContact CE2-CD1 4.17Å; Y345-Y357 AromaticContact CE2-CE1 3.45Å; Y345-Y357 HydrophobicContact CE2-CE1 3.45Å; Y345-Y357 VanDerWaalsContact CE2-CE1 3.45Å; Y345-Y357 AromaticContact CZ-CE1 3.9Å; V347-Y357 HydrophobicContact CB-CD1 4.21Å; V347-Y357 HydrophobicContact CB-CD2 4.03Å; V347-Y357 HydrophobicContact CB-CE1 3.87Å; V347-Y357 HydrophobicContact CB-CE2 3.64Å; V347-Y357 HydrophobicContact CB-CG 4.29Å; V347-Y357 HydrophobicContact CG2-CD1 3.94Å; V347-Y357 HydrophobicContact CG2-CE1 3.31Å; V347-Y357 HydrophobicContact CG2-CE2 3.96Å; V347-Y357 WeakPolarHBondContact CG2-OH 3.31Å; M354-Y357 HydrophobicContact CB-CD2 3.73Å; M354-Y357 HydrophobicContact CB-CE2 3.89Å; M354-Y357 WeakPolarHBondContact O-CD2 3.11Å; M354-Y357 PolarHBondContact O-N 3.04Å; Y357-R359 HydrophobicContact CD1-CB 3.96Å; Y357-R359 HydrophobicContact CD1-CG 3.73Å; Y357-R359 HydrophobicContact CE1-CB 4.04Å; Y357-R359 HydrophobicContact CE1-CG 3.76Å; Y357-R359 HydrophobicContact CG-CG 4.49Å
358	P	96.4	Very high	89.4	Confident	54 Å²	54	57 Å²	57	35%	0.351	32%	0.319	S	S	.	.	S	Bend	cis	-67.8	154.3	3.7	23	-29.9	0	0	0	114.6	Q344 Y345 W346	Q344-P358 HydrophobicContact CB-CB 4.07Å; Q344-P358 HydrophobicContact CG-CB 4.44Å; Y345-P358 WeakPolarHBondContact O-CA 3.26Å; W346-P358 HydrophobicContact CD2-CB 3.82Å; W346-P358 VanDerWaalsContact CE2-CB 3.44Å; W346-P358 HydrophobicContact CE3-CB 4.24Å; W346-P358 HydrophobicContact CG-CB 4.39Å; W346-P358 HydrophobicContact CH2-CB 3.87Å; W346-P358 HydrophobicContact CH2-CG 4.32Å; W346-P358 HydrophobicContact CZ2-CB 3.5Å; W346-P358 VanDerWaalsContact CZ2-CB 3.5Å; W346-P358 HydrophobicContact CZ2-CG 3.62Å; W346-P358 HydrophobicContact CZ3-CB 4.22Å
359	R	95.5	Very high	89.6	Confident	97 Å²	97	61.6 Å²	61.6	37%	0.366	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.2	170	-74.2	-164.6	70.6	-152.9	-1.2	110.6	Q344 Y345 G356 Y357 D363	Q344-R359 CarbonylContact C-O 3.51Å; Q344-R359 VanDerWaalsContact CA-O 3.32Å; Q344-R359 WeakPolarHBondContact CA-O 3.2Å; Y345-R359 HydrophobicContact CD1-CB 4.13Å; Y345-R359 WeakPolarHBondContact CD1-O 3.2Å; Y345-R359 HydrophobicContact CE1-CB 3.39Å; Y345-R359 HydrophobicContact CE2-CB 4.4Å; Y345-R359 PolarHBondContact N-O 2.78Å; Y345-R359 PolarHBondContact O-N 3.03Å; Y345-R359 WeakPolarHBondContact OH-CB 3.12Å; Y345-R359 PolarHBondContact OH-NH1 2.77Å; G356-R359 WeakPolarHBondContact O-CG 3.21Å; Y357-R359 HydrophobicContact CD1-CB 3.96Å; Y357-R359 HydrophobicContact CD1-CG 3.73Å; Y357-R359 HydrophobicContact CE1-CB 4.04Å; Y357-R359 HydrophobicContact CE1-CG 3.76Å; Y357-R359 HydrophobicContact CG-CG 4.49Å; R359-D363 WeakPolarHBondContact CB-OD2 3.5Å; R359-D363 VanDerWaalsContact CZ-CG 3.4Å; R359-D363 IonicContact CZ-OD1 2.75Å; R359-D363 IonicContact CZ-OD2 2.71Å; R359-D363 IonicContact NE-OD2 3.61Å; R359-D363 PolarHBondContact NE-OD2 2.8Å; R359-D363 IonicContact NH1-OD2 2.68Å; R359-D363 PolarHBondContact NH1-OD2 3.14Å; R359-D363 IonicContact NH2-OD1 3.4Å; R359-D363 PolarHBondContact NH2-OD1 3.32Å; R359-D363 IonicContact NH2-OD2 3.09Å; R359-D363 PolarHBondContact NH2-OD2 3.03Å
360	P	95.7	Very high	90	Very high	61 Å²	61	65 Å²	65	40%	0.396	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	141.7	-177.4	30.7	-35.6	0	0	0	111.9	Y345 S362 D363	Y345-P360 VanDerWaalsContact CE1-O 3.32Å; Y345-P360 WeakPolarHBondContact CE1-O 3.49Å; P360-S362 PolarHBondContact O-N 2.62Å; P360-D363 WeakPolarHBondContact O-CB 3.44Å; P360-D363 VanDerWaalsContact O-CG 3.27Å; P360-D363 PolarHBondContact O-N 3.04Å
361	L	94.8	Very high	90.7	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.021	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-58.5	-23.6	178.7	-176.2	58.5	0	0	0	112.9	F340 S343 D363 W364 V374 V377	F340-L361 HydrophobicContact CD1-CD1 3.76Å; F340-L361 HydrophobicContact CE1-CD1 3.66Å; S343-L361 WeakPolarHBondContact O-CB 3.13Å; S343-L361 PolarHBondContact O-N 3.18Å; L361-D363 PolarHBondContact O-N 2.89Å; L361-W364 HydrophobicContact CD1-CB 4.41Å; L361-W364 HydrophobicContact CD1-CG 4.18Å; L361-W364 WeakPolarHBondContact O-CB 3.34Å; L361-W364 PolarHBondContact O-N 2.94Å; L361-V374 HydrophobicContact CD2-CG1 4.11Å; L361-V377 HydrophobicContact CD1-CG2 3.91Å; L361-V377 HydrophobicContact CD2-CG2 4.09Å
362	S	92.8	Very high	91.6	Very high	79 Å²	79	65.3 Å²	65.3	55%	0.552	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-57.3	-20.7	174.3	56.7	0	0	0	0	114.2	P360 W364 R365	P360-S362 PolarHBondContact O-N 2.62Å; S362-W364 PolarHBondContact O-N 2.89Å; S362-R365 PolarHBondContact O-N 2.87Å; S362-R365 VanDerWaalsContact O-N 3.09Å
363	D	92.9	Very high	92.4	Very high	34 Å²	34	62.2 Å²	62.2	18%	0.182	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-58.5	-28.6	172.4	-69.4	-28.5	0	0	0	113.2	Y345 R359 P360 L361 R365	Y345-D363 HydrophobicContact CE1-CB 3.98Å; Y345-D363 WeakPolarHBondContact CE1-OD2 3.44Å; Y345-D363 PolarHBondContact OH-OD2 2.89Å; R359-D363 WeakPolarHBondContact CB-OD2 3.5Å; R359-D363 VanDerWaalsContact CZ-CG 3.4Å; R359-D363 IonicContact CZ-OD1 2.75Å; R359-D363 IonicContact CZ-OD2 2.71Å; R359-D363 IonicContact NE-OD2 3.61Å; R359-D363 PolarHBondContact NE-OD2 2.8Å; R359-D363 IonicContact NH1-OD2 2.68Å; R359-D363 PolarHBondContact NH1-OD2 3.14Å; R359-D363 IonicContact NH2-OD1 3.4Å; R359-D363 PolarHBondContact NH2-OD1 3.32Å; R359-D363 IonicContact NH2-OD2 3.09Å; R359-D363 PolarHBondContact NH2-OD2 3.03Å; P360-D363 WeakPolarHBondContact O-CB 3.44Å; P360-D363 VanDerWaalsContact O-CG 3.27Å; P360-D363 PolarHBondContact O-N 3.04Å; L361-D363 PolarHBondContact O-N 2.89Å; D363-R365 PolarHBondContact O-N 2.96Å
364	W	92.8	Very high	92.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-79.8	-3.9	179.5	-69.6	79.6	0	0	0	113.5	Y329 I338 F340 Y345 L361 S362 M366 L391 F400 Q409	Y329-W364 WeakPolarHBondContact OH-CH2 3.41Å; I338-W364 HydrophobicContact CG2-CZ2 4.32Å; F340-W364 HydrophobicContact CE1-CD2 4.43Å; F340-W364 AromaticContact CE1-CE2 3.88Å; F340-W364 HydrophobicContact CE1-CZ2 4.31Å; F340-W364 AromaticContact CE1-NE1 3.69Å; F340-W364 HydrophobicContact CZ-CD2 4.41Å; F340-W364 AromaticContact CZ-CE2 3.86Å; F340-W364 HydrophobicContact CZ-CH2 4.49Å; F340-W364 AromaticContact CZ-CZ2 3.89Å; F340-W364 HydrophobicContact CZ-CZ2 3.89Å; Y345-W364 AromaticContact CD1-CD1 3.94Å; Y345-W364 AromaticContact CD1-NE1 3.62Å; Y345-W364 AromaticContact CD2-NE1 3.7Å; Y345-W364 AromaticContact CE1-CD1 3.9Å; Y345-W364 AromaticContact CE1-NE1 3.68Å; Y345-W364 AromaticContact CE2-NE1 3.72Å; Y345-W364 AromaticContact CG-NE1 3.66Å; Y345-W364 AromaticContact CZ-NE1 3.75Å; L361-W364 HydrophobicContact CD1-CB 4.41Å; L361-W364 HydrophobicContact CD1-CG 4.18Å; L361-W364 WeakPolarHBondContact O-CB 3.34Å; L361-W364 PolarHBondContact O-N 2.94Å; S362-W364 PolarHBondContact O-N 2.89Å; W364-M366 HydrophobicContact CB-CG 4.1Å; W364-M366 HydrophobicContact CB-SD 4.01Å; W364-M366 PolarHBondContact O-N 2.86Å; W364-L391 HydrophobicContact CD2-CD1 4.02Å; W364-L391 HydrophobicContact CE3-CD1 3.51Å; W364-L391 HydrophobicContact CZ3-CD1 3.82Å; W364-F400 HydrophobicContact CE3-CD1 4.11Å; W364-F400 HydrophobicContact CE3-CD2 4.37Å; W364-F400 AromaticContact CE3-CE1 3.78Å; W364-F400 HydrophobicContact CE3-CE1 3.78Å; W364-F400 HydrophobicContact CE3-CE2 4.07Å; W364-F400 HydrophobicContact CE3-CG 4.41Å; W364-F400 AromaticContact CE3-CZ 3.76Å; W364-F400 HydrophobicContact CE3-CZ 3.76Å; W364-F400 HydrophobicContact CZ3-CD1 4.22Å; W364-F400 HydrophobicContact CZ3-CD2 4.32Å; W364-F400 HydrophobicContact CZ3-CE1 4.34Å; W364-F400 HydrophobicContact CZ3-CE2 4.45Å; W364-F400 HydrophobicContact CZ3-CG 4.22Å; W364-F400 HydrophobicContact CZ3-CZ 4.47Å; W364-Q409 CarbonylContact C-O 3.23Å; W364-Q409 VanDerWaalsContact C-O 3.23Å; W364-Q409 WeakPolarHBondContact CA-O 3.39Å; W364-Q409 HydrophobicContact CE3-CB 4.47Å; W364-Q409 VanDerWaalsContact O-O 3.13Å
365	R	93	Very high	92.9	Very high	123 Å²	123	63 Å²	63	46%	0.464	40%	0.399	S	S	.	.			trans	49.1	34.4	177.2	-59.7	-173.9	-178.9	178.4	6	114	S362 D363 E410	S362-R365 PolarHBondContact O-N 2.87Å; S362-R365 VanDerWaalsContact O-N 3.09Å; D363-R365 PolarHBondContact O-N 2.96Å; R365-E410 HydrophobicContact CB-CG 4.37Å; R365-E410 WeakPolarHBondContact CD-OE1 3.31Å; R365-E410 HydrophobicContact CG-CG 4.46Å; R365-E410 IonicContact CZ-OE1 3.16Å; R365-E410 IonicContact NE-OE1 3.55Å; R365-E410 IonicContact NH1-OE1 3.91Å; R365-E410 PolarHBondContact NH1-OE1 3.04Å
366	M	94.1	Very high	93.1	Very high	7 Å²	7	62.6 Å²	62.6	3%	0.034	38%	0.378	C	S	.	.			trans	-83.1	121.4	176.6	-65.2	166.2	69.5	0	0	110.3	W364 V374 L391 W398 F400	W364-M366 HydrophobicContact CB-CG 4.1Å; W364-M366 HydrophobicContact CB-SD 4.01Å; W364-M366 PolarHBondContact O-N 2.86Å; M366-V374 HydrophobicContact CB-CB 3.94Å; M366-V374 HydrophobicContact CB-CG2 3.71Å; M366-V374 HydrophobicContact CE-CG1 4.32Å; M366-V374 PolarHBondContact O-N 3.29Å; M366-V374 VanDerWaalsContact O-N 3.13Å; M366-L391 HydrophobicContact CE-CB 3.85Å; M366-L391 HydrophobicContact CE-CD1 4.4Å; M366-L391 HydrophobicContact SD-CB 4.33Å; M366-L391 HydrophobicContact SD-CD1 3.79Å; M366-W398 HydrophobicContact CB-CD2 4.28Å; M366-W398 HydrophobicContact CB-CZ2 4.35Å; M366-W398 HydrophobicContact CE-CB 4.31Å; M366-W398 HydrophobicContact CE-CD2 3.46Å; M366-W398 VanDerWaalsContact CE-CD2 3.46Å; M366-W398 HydrophobicContact CE-CE3 3.17Å; M366-W398 HydrophobicContact CE-CG 3.99Å; M366-W398 HydrophobicContact CE-CH2 4.34Å; M366-W398 HydrophobicContact CE-CZ3 3.69Å; M366-W398 HydrophobicContact CG-CB 4.49Å; M366-W398 HydrophobicContact CG-CD2 4.11Å; M366-W398 HydrophobicContact CG-CG 3.98Å; M366-F400 HydrophobicContact CG-CE2 4.45Å; M366-F400 HydrophobicContact CG-CZ 3.79Å; M366-F400 HydrophobicContact SD-CE2 4.38Å; M366-F400 HydrophobicContact SD-CZ 4.13Å
367	T	93.9	Very high	93.4	Very high	74 Å²	74	59.9 Å²	59.9	45%	0.454	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-121.7	132.1	176.5	55.6	0	0	0	0	110.7	A372 W398	T367-A372 CarbonylContact C-O 3.56Å; T367-A372 WeakPolarHBondContact CA-O 3.42Å; T367-W398 WeakPolarHBondContact O-CZ2 3.38Å
368	M	92.6	Very high	93.5	Very high	45 Å²	45	58.4 Å²	58.4	22%	0.222	35%	0.346	C	S	.	.			trans	-63.6	159	171.6	-67.2	-62.5	-83.5	0	0	110.8	S370 G371 A372 V374 Q396 W398	M368-S370 PolarHBondContact O-N 3.45Å; M368-G371 PolarHBondContact O-N 3.47Å; M368-A372 PolarHBondContact N-O 3.1Å; M368-V374 HydrophobicContact CG-CG2 4.05Å; M368-V374 HydrophobicContact SD-CG2 4.01Å; M368-Q396 HydrophobicContact CE-CG 4.46Å; M368-W398 HydrophobicContact SD-CH2 3.65Å; M368-W398 HydrophobicContact SD-CZ2 4.19Å
369	P	91.1	Very high	93.4	Very high	98 Å²	98	55.8 Å²	55.8	64%	0.636	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.5	173.5	-27.1	35.4	0	0	0	114.5	G371 Q396 P416	P369-G371 PolarHBondContact O-N 2.77Å; P369-Q396 HydrophobicContact CG-CG 4.28Å; P369-P416 HydrophobicContact CG-CG 4.28Å
370	S	91.6	Very high	93.4	Very high	103 Å²	103	51.3 Å²	51.3	72%	0.72	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-8	174.2	58.8	0	0	0	0	114.4	M368 A372	M368-S370 PolarHBondContact O-N 3.45Å; S370-A372 VanDerWaalsContact C-N 3.32Å
371	G	89.8	Confident	93.3	Very high	59 Å²	59	48.6 Å²	48.6	61%	0.608	30%	0.295	S	S	*	.	S	Bend	trans	85.8	-3.4	-173.4	0	0	0	0	0	114.5	M368 P369	M368-G371 PolarHBondContact O-N 3.47Å; P369-G371 PolarHBondContact O-N 2.77Å
372	A	91.8	Very high	93	Very high	52 Å²	52	49 Å²	49	43%	0.43	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-71.1	144.3	174.2	0	0	0	0	0	111.4	T367 M368 S370	T367-A372 CarbonylContact C-O 3.56Å; T367-A372 WeakPolarHBondContact CA-O 3.42Å; M368-A372 PolarHBondContact N-O 3.1Å; S370-A372 VanDerWaalsContact C-N 3.32Å
373	A	92.4	Very high	92.6	Very high	72 Å²	72	46.3 Å²	46.3	60%	0.595	28%	0.275	S	S	*	.	B	Isolated β-bridge	trans	-68.1	144	170.1	0	0	0	0	0	110.2
374	V	94.4	Very high	92.1	Very high	10 Å²	10	46.4 Å²	46.4	6%	0.061	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-72	133.1	174.5	175.8	0	0	0	0	110	L361 M366 M368 R376 S393 W398	L361-V374 HydrophobicContact CD2-CG1 4.11Å; M366-V374 HydrophobicContact CB-CB 3.94Å; M366-V374 HydrophobicContact CB-CG2 3.71Å; M366-V374 HydrophobicContact CE-CG1 4.32Å; M366-V374 PolarHBondContact O-N 3.29Å; M366-V374 VanDerWaalsContact O-N 3.13Å; M368-V374 HydrophobicContact CG-CG2 4.05Å; M368-V374 HydrophobicContact SD-CG2 4.01Å; V374-R376 WeakPolarHBondContact CG1-O 3.24Å; V374-S393 WeakPolarHBondContact CG1-OG 3.42Å; V374-W398 HydrophobicContact CG2-CH2 3.59Å; V374-W398 HydrophobicContact CG2-CZ2 3.63Å; V374-W398 HydrophobicContact CG2-CZ3 4.39Å
375	D	92	Very high	91.4	Very high	110 Å²	110	51.2 Å²	51.2	59%	0.588	30%	0.303	S	S	*	.			trans	-108.6	-10.2	-174.8	63.8	-12.5	0	0	0	114.2	G342 S343	G342-D375 CarbonylContact C-O 3.48Å; G342-D375 VanDerWaalsContact C-O 3.23Å; S343-D375 VanDerWaalsContact CA-O 3.26Å; S343-D375 WeakPolarHBondContact CA-O 3.42Å; S343-D375 PolarHBondContact N-O 3.23Å
376	R	94.3	Very high	90.9	Very high	116 Å²	116	48.2 Å²	48.2	44%	0.438	30%	0.296	S	S	.	.			trans	-155.3	158.3	175.3	61.5	-178.5	-93.4	178.1	-4.1	112	V374 D378 S393	V374-R376 WeakPolarHBondContact CG1-O 3.24Å; R376-D378 IonicContact CZ-OD1 3.34Å; R376-D378 IonicContact NE-OD1 3.45Å; R376-D378 PolarHBondContact NE-OD1 3.19Å; R376-D378 IonicContact NH2-OD1 2.72Å; R376-D378 PolarHBondContact NH2-OD1 2.74Å; R376-S393 VanDerWaalsContact O-CB 3.24Å; R376-S393 WeakPolarHBondContact O-CB 3.12Å; R376-S393 PolarHBondContact O-OG 3.45Å
377	V	96.3	Very high	90.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	31%	0.312	C	S	.	.			trans	-112.8	126	171.1	-179.7	0	0	0	0	107.8	D326 A327 F340 L361 A379 A380 L391 F392	D326-V377 WeakPolarHBondContact CB-O 3.08Å; A327-V377 HydrophobicContact CB-CB 4.2Å; A327-V377 HydrophobicContact CB-CG1 3.74Å; F340-V377 HydrophobicContact CB-CB 3.96Å; F340-V377 HydrophobicContact CB-CG2 4.24Å; F340-V377 HydrophobicContact CD1-CB 4.28Å; F340-V377 HydrophobicContact CD1-CG2 3.67Å; F340-V377 HydrophobicContact CD2-CB 4.11Å; F340-V377 HydrophobicContact CD2-CG1 4.1Å; F340-V377 HydrophobicContact CD2-CG2 4.22Å; F340-V377 HydrophobicContact CE1-CG2 3.99Å; F340-V377 HydrophobicContact CE2-CG1 4.41Å; F340-V377 HydrophobicContact CE2-CG2 4.48Å; F340-V377 HydrophobicContact CG-CB 3.87Å; F340-V377 HydrophobicContact CG-CG1 4.37Å; F340-V377 HydrophobicContact CG-CG2 3.79Å; F340-V377 HydrophobicContact CZ-CG2 4.38Å; L361-V377 HydrophobicContact CD1-CG2 3.91Å; L361-V377 HydrophobicContact CD2-CG2 4.09Å; V377-A379 WeakPolarHBondContact CG1-O 3.37Å; V377-A380 HydrophobicContact CG1-CB 4.37Å; V377-L391 HydrophobicContact CG1-CB 4.28Å; V377-L391 HydrophobicContact CG1-CD2 4.39Å; V377-F392 CarbonylContact C-O 3.54Å
378	D	94.2	Very high	89.9	Confident	28 Å²	28	48.1 Å²	48.1	15%	0.15	30%	0.299	C	S	.	.	S	Bend	trans	-85.6	-34.5	-178.7	-64.3	-31.5	0	0	0	112.5	R376 F392 S393 G394	R376-D378 IonicContact CZ-OD1 3.34Å; R376-D378 IonicContact NE-OD1 3.45Å; R376-D378 PolarHBondContact NE-OD1 3.19Å; R376-D378 IonicContact NH2-OD1 2.72Å; R376-D378 PolarHBondContact NH2-OD1 2.74Å; D378-F392 PolarHBondContact N-O 3.21Å; D378-S393 VanDerWaalsContact OD2-CA 3.31Å; D378-S393 WeakPolarHBondContact OD2-CA 3.19Å; D378-G394 PolarHBondContact OD2-N 3.37Å
379	A	95.3	Very high	89.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	149.9	-179.9	0	0	0	0	0	109.8	V377 F392 M429 D431 V432	V377-A379 WeakPolarHBondContact CG1-O 3.37Å; A379-F392 HydrophobicContact CB-CB 4.04Å; A379-F392 HydrophobicContact CB-CD2 4.04Å; A379-F392 HydrophobicContact CB-CG 4.29Å; A379-F392 PolarHBondContact O-N 3.15Å; A379-M429 HydrophobicContact CB-CE 3.85Å; A379-M429 HydrophobicContact CB-CG 4.27Å; A379-D431 VanDerWaalsContact CA-OD1 3.29Å; A379-D431 WeakPolarHBondContact CA-OD1 2.94Å; A379-D431 WeakPolarHBondContact CB-OD1 3.4Å; A379-V432 HydrophobicContact CB-CG2 4.35Å
380	A	95.8	Very high	90	Very high	2 Å²	2	41.7 Å²	41.7	2%	0.017	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	129.5	179.6	0	0	0	0	0	111.8	A327 Y329 F340 V377 Y390 L391 D431	A327-A380 HydrophobicContact CB-CB 3.95Å; Y329-A380 HydrophobicContact CD1-CB 3.62Å; Y329-A380 HydrophobicContact CE1-CB 4.49Å; Y329-A380 HydrophobicContact CG-CB 4.13Å; F340-A380 HydrophobicContact CD2-CB 4.43Å; F340-A380 HydrophobicContact CE2-CB 4.2Å; V377-A380 HydrophobicContact CG1-CB 4.37Å; A380-Y390 WeakPolarHBondContact CA-O 3.41Å; A380-L391 HydrophobicContact CB-CD2 3.47Å; A380-L391 VanDerWaalsContact CB-CD2 3.47Å; A380-D431 PolarHBondContact N-OD1 3.17Å; A380-D431 VanDerWaalsContact N-OD1 3.14Å
381	F	94.3	Very high	90.3	Very high	5 Å²	5	36.8 Å²	36.8	2%	0.022	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	161.5	175.4	83.6	-78	0	0	0	113.6	W383 Y390 F392 W422 V432 T434 A440	F381-W383 HydrophobicContact CD2-CB 4.35Å; F381-W383 HydrophobicContact CE2-CB 3.63Å; F381-W383 AromaticContact CE2-CD1 3.75Å; F381-W383 AromaticContact CE2-CG 3.84Å; F381-W383 HydrophobicContact CE2-CG 3.84Å; F381-W383 HydrophobicContact CZ-CB 4.22Å; F381-W383 HydrophobicContact CZ-CG 4.3Å; F381-Y390 HydrophobicContact CE1-CG 4.22Å; F381-Y390 HydrophobicContact CZ-CD2 4.49Å; F381-Y390 HydrophobicContact CZ-CG 4.44Å; F381-Y390 PolarHBondContact N-O 3.45Å; F381-Y390 PolarHBondContact O-N 3.42Å; F381-F392 AromaticContact CD1-CE2 3.73Å; F381-F392 HydrophobicContact CD1-CE2 3.73Å; F381-F392 HydrophobicContact CD1-CZ 4.47Å; F381-F392 AromaticContact CE1-CE2 3.5Å; F381-F392 HydrophobicContact CE1-CE2 3.5Å; F381-F392 VanDerWaalsContact CE1-CE2 3.5Å; F381-F392 AromaticContact CE1-CZ 3.8Å; F381-F392 HydrophobicContact CE1-CZ 3.8Å; F381-W422 AromaticContact CZ-CH2 3.98Å; F381-W422 HydrophobicContact CZ-CH2 3.98Å; F381-W422 HydrophobicContact CZ-CZ2 4.49Å; F381-V432 HydrophobicContact CB-CB 4.42Å; F381-V432 HydrophobicContact CB-CG1 4.48Å; F381-V432 VanDerWaalsContact CB-O 3.24Å; F381-V432 WeakPolarHBondContact CB-O 3.39Å; F381-V432 HydrophobicContact CD1-CB 3.71Å; F381-V432 HydrophobicContact CD1-CG1 3.61Å; F381-V432 HydrophobicContact CD2-CG1 4.17Å; F381-V432 HydrophobicContact CE1-CB 4.13Å; F381-V432 HydrophobicContact CE1-CG1 3.69Å; F381-V432 HydrophobicContact CE2-CG1 4.24Å; F381-V432 HydrophobicContact CG-CB 4.15Å; F381-V432 HydrophobicContact CG-CG1 3.86Å; F381-V432 HydrophobicContact CZ-CG1 4.02Å; F381-T434 WeakPolarHBondContact CD2-OG1 3.33Å; F381-A440 HydrophobicContact CE2-CB 4.4Å
382	V	88.5	Confident	90.5	Very high	12 Å²	12	34.1 Å²	34.1	7%	0.073	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	116.3	171	-172.5	0	0	0	0	109.3	Y329 E330 K332 A384 G387 K388 T434	Y329-V382 HydrophobicContact CD2-CG2 3.73Å; Y329-V382 HydrophobicContact CE2-CG2 4.17Å; E330-V382 VanDerWaalsContact O-CG2 3.31Å; E330-V382 WeakPolarHBondContact O-CG2 3.22Å; K332-V382 HydrophobicContact CB-CG1 4.41Å; K332-V382 HydrophobicContact CD-CB 4.35Å; K332-V382 HydrophobicContact CD-CG1 3.54Å; K332-V382 HydrophobicContact CG-CB 4.25Å; K332-V382 HydrophobicContact CG-CG1 3.75Å; K332-V382 HydrophobicContact CG-CG2 4.43Å; V382-A384 PolarHBondContact O-N 3.21Å; V382-G387 WeakPolarHBondContact CG1-O 3.35Å; V382-K388 WeakPolarHBondContact CA-O 3.38Å; V382-T434 PolarHBondContact O-OG1 3.06Å
383	W	84.1	Confident	90.7	Very high	22 Å²	22	31.9 Å²	31.9	8%	0.083	18%	0.179	C	C	.	.			trans	-73	128.4	-176.1	-162.2	20.3	0	0	0	111	F381 H385 G387 K388 Y390 W422 I456	F381-W383 HydrophobicContact CD2-CB 4.35Å; F381-W383 HydrophobicContact CE2-CB 3.63Å; F381-W383 AromaticContact CE2-CD1 3.75Å; F381-W383 AromaticContact CE2-CG 3.84Å; F381-W383 HydrophobicContact CE2-CG 3.84Å; F381-W383 HydrophobicContact CZ-CB 4.22Å; F381-W383 HydrophobicContact CZ-CG 4.3Å; W383-H385 VanDerWaalsContact C-N 3.29Å; W383-H385 AromaticContact CD1-CD2 3.88Å; W383-H385 HydrophobicContact CD2-CB 4.46Å; W383-H385 AromaticContact CE2-CD2 3.79Å; W383-H385 AromaticContact NE1-CD2 3.35Å; W383-H385 PolarHBondContact NE1-CD2 3.22Å; W383-H385 PolarHBondContact O-N 3.43Å; W383-G387 VanDerWaalsContact O-CA 3.25Å; W383-G387 WeakPolarHBondContact O-CA 3.44Å; W383-G387 PolarHBondContact O-N 3.44Å; W383-K388 PolarHBondContact N-O 3.29Å; W383-Y390 HydrophobicContact CB-CD2 4Å; W383-Y390 HydrophobicContact CB-CE2 3.72Å; W383-Y390 HydrophobicContact CD2-CE2 4.49Å; W383-Y390 AromaticContact CE3-CE2 3.91Å; W383-Y390 HydrophobicContact CE3-CE2 3.91Å; W383-Y390 AromaticContact CE3-CZ 3.73Å; W383-Y390 VanDerWaalsContact CE3-OH 3.3Å; W383-Y390 HydrophobicContact CG-CE2 4.5Å; W383-W422 HydrophobicContact CD2-CH2 4.39Å; W383-W422 HydrophobicContact CE3-CH2 4.34Å; W383-W422 HydrophobicContact CH2-CZ3 4.44Å; W383-W422 HydrophobicContact CZ2-CZ3 4.21Å; W383-W422 HydrophobicContact CZ3-CH2 4.41Å; W383-I456 HydrophobicContact CH2-CD1 3.74Å; W383-I456 HydrophobicContact CH2-CG1 3.86Å; W383-I456 HydrophobicContact CZ2-CG1 4.32Å; W383-I456 HydrophobicContact CZ3-CD1 4.24Å
384	A	82.3	Confident	90.5	Very high	37 Å²	37	30.5 Å²	30.5	31%	0.306	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-39.7	-178.8	0	0	0	0	0	113.3	V382 N386 T434 G438	V382-A384 PolarHBondContact O-N 3.21Å; A384-N386 PolarHBondContact O-N 2.87Å; A384-T434 HydrophobicContact CB-CG2 3.56Å; A384-G438 VanDerWaalsContact CB-CA 3.42Å; A384-G438 WeakPolarHBondContact CB-O 3.32Å
385	H	77.4	Confident	90.4	Very high	100 Å²	100	30.6 Å²	30.6	46%	0.463	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-33.3	-169.3	-66.9	-82.4	0	0	0	114.2	W383 G454	W383-H385 VanDerWaalsContact C-N 3.29Å; W383-H385 AromaticContact CD1-CD2 3.88Å; W383-H385 HydrophobicContact CD2-CB 4.46Å; W383-H385 AromaticContact CE2-CD2 3.79Å; W383-H385 AromaticContact NE1-CD2 3.35Å; W383-H385 PolarHBondContact NE1-CD2 3.22Å; W383-H385 PolarHBondContact O-N 3.43Å; H385-G454 PolarHBondContact CE1-N 2.94Å; H385-G454 VanDerWaalsContact NE2-CA 3.3Å; H385-G454 WeakPolarHBondContact NE2-CA 3.01Å; H385-G454 PolarHBondContact NE2-N 2.76Å; H385-G454 VanDerWaalsContact NE2-N 3.12Å
386	N	82.6	Confident	90.5	Very high	61 Å²	61	27.2 Å²	27.2	33%	0.326	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-4.6	-179	69.2	10.5	0	0	0	114	A384 K388 Y390	A384-N386 PolarHBondContact O-N 2.87Å; N386-K388 HydrophobicContact CB-CG 4.33Å; N386-K388 PolarHBondContact O-N 3.28Å; N386-K388 WeakPolarHBondContact OD1-CB 3.18Å; N386-K388 PolarHBondContact OD1-N 3.19Å; N386-Y390 PolarHBondContact ND2-OH 2.9Å
387	G	80	Confident	90.5	Very high	35 Å²	35	21.9 Å²	21.9	36%	0.361	14%	0.136	S	C	.	.			trans	67.4	9.6	179.1	0	0	0	0	0	115	V382 W383	V382-G387 WeakPolarHBondContact CG1-O 3.35Å; W383-G387 VanDerWaalsContact O-CA 3.25Å; W383-G387 WeakPolarHBondContact O-CA 3.44Å; W383-G387 PolarHBondContact O-N 3.44Å
388	K	86.9	Confident	90.5	Very high	43 Å²	43	22 Å²	22	19%	0.187	14%	0.136	C	C	.	.			trans	-84.6	150.5	179.6	-55.5	-65.7	174.1	-171.7	0	110.8	V382 W383 N386 Y390 R399 D401	V382-K388 WeakPolarHBondContact CA-O 3.38Å; W383-K388 PolarHBondContact N-O 3.29Å; N386-K388 HydrophobicContact CB-CG 4.33Å; N386-K388 PolarHBondContact O-N 3.28Å; N386-K388 WeakPolarHBondContact OD1-CB 3.18Å; N386-K388 PolarHBondContact OD1-N 3.19Å; K388-Y390 HydrophobicContact CB-CD2 4.47Å; K388-Y390 HydrophobicContact CB-CE2 3.82Å; K388-Y390 VanDerWaalsContact O-CD2 3.29Å; K388-Y390 WeakPolarHBondContact O-CD2 3.3Å; K388-R399 HydrophobicContact CB-CG 3.64Å; K388-R399 HydrophobicContact CG-CG 4.2Å; K388-D401 HydrophobicContact CD-CB 4.02Å; K388-D401 IonicContact NZ-OD1 2.78Å; K388-D401 PolarHBondContact NZ-OD1 2.93Å; K388-D401 IonicContact NZ-OD2 3.45Å; K388-D401 PolarHBondContact NZ-OD2 2.85Å
389	T	93.1	Very high	90.5	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.018	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.6	175.8	-58	0	0	0	0	109.3	Y329 L391 R399 F400 E402	Y329-T389 HydrophobicContact CD2-CG2 4.05Å; Y329-T389 HydrophobicContact CE1-CG2 4.21Å; Y329-T389 HydrophobicContact CE2-CG2 3.49Å; Y329-T389 VanDerWaalsContact CE2-CG2 3.49Å; T389-L391 HydrophobicContact CG2-CD2 4.11Å; T389-L391 HydrophobicContact CG2-CG 4.48Å; T389-R399 CarbonylContact O-C 3.6Å; T389-R399 VanDerWaalsContact O-CA 3.3Å; T389-R399 WeakPolarHBondContact O-CA 3.38Å; T389-F400 PolarHBondContact N-O 3.47Å; T389-F400 VanDerWaalsContact N-O 3.09Å; T389-F400 PolarHBondContact O-N 3.15Å; T389-E402 WeakPolarHBondContact CB-OE2 3.14Å; T389-E402 PolarHBondContact OG1-OE2 3.23Å
390	Y	93.7	Very high	90.3	Very high	6 Å²	6	24 Å²	24	2%	0.024	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123	179	-70.5	-106.1	0	0	0	109.1	A380 F381 W383 N386 K388 F397 W398 R399 W422	A380-Y390 WeakPolarHBondContact CA-O 3.41Å; F381-Y390 HydrophobicContact CE1-CG 4.22Å; F381-Y390 HydrophobicContact CZ-CD2 4.49Å; F381-Y390 HydrophobicContact CZ-CG 4.44Å; F381-Y390 PolarHBondContact N-O 3.45Å; F381-Y390 PolarHBondContact O-N 3.42Å; W383-Y390 HydrophobicContact CB-CD2 4Å; W383-Y390 HydrophobicContact CB-CE2 3.72Å; W383-Y390 HydrophobicContact CD2-CE2 4.49Å; W383-Y390 AromaticContact CE3-CE2 3.91Å; W383-Y390 HydrophobicContact CE3-CE2 3.91Å; W383-Y390 AromaticContact CE3-CZ 3.73Å; W383-Y390 VanDerWaalsContact CE3-OH 3.3Å; W383-Y390 HydrophobicContact CG-CE2 4.5Å; N386-Y390 PolarHBondContact ND2-OH 2.9Å; K388-Y390 HydrophobicContact CB-CD2 4.47Å; K388-Y390 HydrophobicContact CB-CE2 3.82Å; K388-Y390 VanDerWaalsContact O-CD2 3.29Å; K388-Y390 WeakPolarHBondContact O-CD2 3.3Å; Y390-F397 AromaticContact CD1-CD2 3.66Å; Y390-F397 HydrophobicContact CD1-CD2 3.66Å; Y390-F397 AromaticContact CD1-CE2 3.67Å; Y390-F397 HydrophobicContact CD1-CE2 3.67Å; Y390-F397 HydrophobicContact CE1-CD2 4.18Å; Y390-F397 AromaticContact CE1-CE2 3.71Å; Y390-F397 HydrophobicContact CE1-CE2 3.71Å; Y390-W398 VanDerWaalsContact CA-O 3.31Å; Y390-W398 WeakPolarHBondContact CA-O 3.27Å; Y390-R399 HydrophobicContact CD1-CB 4.38Å; Y390-R399 HydrophobicContact CD1-CG 4.4Å; Y390-R399 HydrophobicContact CD2-CG 4.45Å; Y390-R399 HydrophobicContact CE1-CB 4.18Å; Y390-R399 HydrophobicContact CE1-CG 3.97Å; Y390-R399 HydrophobicContact CE2-CG 3.99Å; Y390-R399 VanDerWaalsContact OH-CD 3.26Å; Y390-R399 WeakPolarHBondContact OH-CD 3.23Å; Y390-W422 HydrophobicContact CD1-CH2 4.39Å; Y390-W422 AromaticContact CD1-CZ2 3.85Å; Y390-W422 HydrophobicContact CD1-CZ2 3.85Å; Y390-W422 HydrophobicContact CE1-CH2 4.22Å; Y390-W422 AromaticContact CE1-CZ2 3.9Å; Y390-W422 HydrophobicContact CE1-CZ2 3.9Å
391	L	96.3	Very high	90	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133	175.6	-56.7	-174.4	0	0	0	109	Y329 F340 W364 M366 V377 A380 T389 F397 W398 F400	Y329-L391 HydrophobicContact CD1-CD2 4.33Å; Y329-L391 HydrophobicContact CE1-CD2 4.07Å; F340-L391 HydrophobicContact CE1-CD1 4.47Å; F340-L391 HydrophobicContact CE2-CD1 4.36Å; F340-L391 HydrophobicContact CE2-CD2 3.78Å; F340-L391 HydrophobicContact CZ-CD1 3.78Å; F340-L391 HydrophobicContact CZ-CD2 4.02Å; W364-L391 HydrophobicContact CD2-CD1 4.02Å; W364-L391 HydrophobicContact CE3-CD1 3.51Å; W364-L391 HydrophobicContact CZ3-CD1 3.82Å; M366-L391 HydrophobicContact CE-CB 3.85Å; M366-L391 HydrophobicContact CE-CD1 4.4Å; M366-L391 HydrophobicContact SD-CB 4.33Å; M366-L391 HydrophobicContact SD-CD1 3.79Å; V377-L391 HydrophobicContact CG1-CB 4.28Å; V377-L391 HydrophobicContact CG1-CD2 4.39Å; A380-L391 HydrophobicContact CB-CD2 3.47Å; A380-L391 VanDerWaalsContact CB-CD2 3.47Å; T389-L391 HydrophobicContact CG2-CD2 4.11Å; T389-L391 HydrophobicContact CG2-CG 4.48Å; L391-F397 CarbonylContact O-C 2.99Å; L391-F397 WeakPolarHBondContact O-CA 3.48Å; L391-F397 WeakPolarHBondContact O-CB 3.38Å; L391-W398 PolarHBondContact N-O 2.85Å; L391-W398 PolarHBondContact O-N 2.85Å; L391-F400 HydrophobicContact CB-CE2 4.29Å; L391-F400 HydrophobicContact CD1-CD2 4.26Å; L391-F400 HydrophobicContact CD1-CE2 3.7Å; L391-F400 HydrophobicContact CD1-CZ 4.32Å; L391-F400 HydrophobicContact CG-CD2 4.21Å; L391-F400 HydrophobicContact CG-CE2 3.93Å
392	F	95.3	Very high	89.5	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.009	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.1	-177.4	-63.1	-101.8	0	0	0	110.2	V377 D378 A379 F381 Q396 F397 N419 W422 M429	V377-F392 CarbonylContact C-O 3.54Å; D378-F392 PolarHBondContact N-O 3.21Å; A379-F392 HydrophobicContact CB-CB 4.04Å; A379-F392 HydrophobicContact CB-CD2 4.04Å; A379-F392 HydrophobicContact CB-CG 4.29Å; A379-F392 PolarHBondContact O-N 3.15Å; F381-F392 AromaticContact CD1-CE2 3.73Å; F381-F392 HydrophobicContact CD1-CE2 3.73Å; F381-F392 HydrophobicContact CD1-CZ 4.47Å; F381-F392 AromaticContact CE1-CE2 3.5Å; F381-F392 HydrophobicContact CE1-CE2 3.5Å; F381-F392 VanDerWaalsContact CE1-CE2 3.5Å; F381-F392 AromaticContact CE1-CZ 3.8Å; F381-F392 HydrophobicContact CE1-CZ 3.8Å; F392-Q396 CarbonylContact C-O 3.59Å; F392-Q396 WeakPolarHBondContact CA-O 3.36Å; F392-F397 HydrophobicContact CD1-CB 3.29Å; F392-F397 HydrophobicContact CD1-CG 4.13Å; F392-F397 HydrophobicContact CD2-CB 4.41Å; F392-F397 HydrophobicContact CE1-CB 3.38Å; F392-F397 HydrophobicContact CE1-CD1 4.06Å; F392-F397 HydrophobicContact CE1-CD2 4.39Å; F392-F397 AromaticContact CE1-CG 3.73Å; F392-F397 HydrophobicContact CE1-CG 3.73Å; F392-F397 HydrophobicContact CE2-CB 4.45Å; F392-F397 HydrophobicContact CG-CB 3.84Å; F392-F397 HydrophobicContact CZ-CB 3.99Å; F392-F397 HydrophobicContact CZ-CD2 4.47Å; F392-F397 HydrophobicContact CZ-CG 4.24Å; F392-N419 WeakPolarHBondContact CD1-OD1 3.37Å; F392-W422 AromaticContact CE1-NE1 3.47Å; F392-W422 AromaticContact CZ-CE2 3.97Å; F392-W422 HydrophobicContact CZ-CZ2 4.01Å; F392-W422 AromaticContact CZ-NE1 3.75Å; F392-M429 HydrophobicContact CB-CE 3.78Å; F392-M429 HydrophobicContact CD1-CE 3.04Å; F392-M429 HydrophobicContact CD2-CE 3.49Å; F392-M429 VanDerWaalsContact CD2-CE 3.49Å; F392-M429 HydrophobicContact CE1-CE 3.36Å; F392-M429 HydrophobicContact CE2-CE 3.79Å; F392-M429 HydrophobicContact CG-CE 3.12Å; F392-M429 HydrophobicContact CZ-CE 3.73Å
393	S	94.8	Very high	88.8	Confident	5 Å²	5	31.2 Å²	31.2	4%	0.035	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	127.8	175.3	-177.5	0	0	0	0	110.2	V374 R376 D378 G395 Q396	V374-S393 WeakPolarHBondContact CG1-OG 3.42Å; R376-S393 VanDerWaalsContact O-CB 3.24Å; R376-S393 WeakPolarHBondContact O-CB 3.12Å; R376-S393 PolarHBondContact O-OG 3.45Å; D378-S393 VanDerWaalsContact OD2-CA 3.31Å; D378-S393 WeakPolarHBondContact OD2-CA 3.19Å; S393-G395 VanDerWaalsContact C-N 3.35Å; S393-G395 PolarHBondContact O-N 3.12Å; S393-Q396 PolarHBondContact N-O 3.45Å; S393-Q396 PolarHBondContact O-N 2.68Å
394	G	90	Very high	87.6	Confident	44 Å²	44	36.3 Å²	36.3	45%	0.454	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	35.8	169.6	0	0	0	0	0	114.9	D378 Q396	D378-G394 PolarHBondContact OD2-N 3.37Å; G394-Q396 VanDerWaalsContact C-N 3.27Å; G394-Q396 PolarHBondContact O-N 3.11Å
395	G	90.7	Very high	86.3	Confident	12 Å²	12	46.2 Å²	46.2	12%	0.124	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	7.3	-177.6	0	0	0	0	0	114.5	S393 N419	S393-G395 VanDerWaalsContact C-N 3.35Å; S393-G395 PolarHBondContact O-N 3.12Å; G395-N419 WeakPolarHBondContact CA-ND2 3.32Å; G395-N419 WeakPolarHBondContact O-CB 3.17Å; G395-N419 VanDerWaalsContact O-CG 3.28Å; G395-N419 PolarHBondContact O-N 3.04Å; G395-N419 PolarHBondContact O-OD1 3.18Å
396	Q	94.4	Very high	84.9	Confident	39 Å²	39	46.3 Å²	46.3	18%	0.182	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	162.9	175.2	-60	-62.9	-52.4	0	0	110.3	M368 P369 F392 S393 G394 W398 P416 R417 N419	M368-Q396 HydrophobicContact CE-CG 4.46Å; P369-Q396 HydrophobicContact CG-CG 4.28Å; F392-Q396 CarbonylContact C-O 3.59Å; F392-Q396 WeakPolarHBondContact CA-O 3.36Å; S393-Q396 PolarHBondContact N-O 3.45Å; S393-Q396 PolarHBondContact O-N 2.68Å; G394-Q396 VanDerWaalsContact C-N 3.27Å; G394-Q396 PolarHBondContact O-N 3.11Å; Q396-W398 HydrophobicContact CB-CH2 3.82Å; Q396-W398 HydrophobicContact CB-CZ3 3.9Å; Q396-P416 HydrophobicContact CB-CB 4.03Å; Q396-R417 CarbonylContact C-O 3.51Å; Q396-R417 WeakPolarHBondContact CA-O 3.28Å; Q396-R417 PolarHBondContact OE1-O 2.76Å; Q396-N419 PolarHBondContact O-OD1 3.02Å
397	F	94.8	Very high	83.3	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	153.7	173.2	75.6	-87.1	0	0	0	113.2	Y390 L391 F392 Y415 P416 R417 S418 V421 W422	Y390-F397 AromaticContact CD1-CD2 3.66Å; Y390-F397 HydrophobicContact CD1-CD2 3.66Å; Y390-F397 AromaticContact CD1-CE2 3.67Å; Y390-F397 HydrophobicContact CD1-CE2 3.67Å; Y390-F397 HydrophobicContact CE1-CD2 4.18Å; Y390-F397 AromaticContact CE1-CE2 3.71Å; Y390-F397 HydrophobicContact CE1-CE2 3.71Å; L391-F397 CarbonylContact O-C 2.99Å; L391-F397 WeakPolarHBondContact O-CA 3.48Å; L391-F397 WeakPolarHBondContact O-CB 3.38Å; F392-F397 HydrophobicContact CD1-CB 3.29Å; F392-F397 HydrophobicContact CD1-CG 4.13Å; F392-F397 HydrophobicContact CD2-CB 4.41Å; F392-F397 HydrophobicContact CE1-CB 3.38Å; F392-F397 HydrophobicContact CE1-CD1 4.06Å; F392-F397 HydrophobicContact CE1-CD2 4.39Å; F392-F397 AromaticContact CE1-CG 3.73Å; F392-F397 HydrophobicContact CE1-CG 3.73Å; F392-F397 HydrophobicContact CE2-CB 4.45Å; F392-F397 HydrophobicContact CG-CB 3.84Å; F392-F397 HydrophobicContact CZ-CB 3.99Å; F392-F397 HydrophobicContact CZ-CD2 4.47Å; F392-F397 HydrophobicContact CZ-CG 4.24Å; F397-Y415 HydrophobicContact CD2-CD1 4.27Å; F397-Y415 AromaticContact CD2-CE1 3.87Å; F397-Y415 HydrophobicContact CD2-CE1 3.87Å; F397-Y415 HydrophobicContact CE2-CD1 4.22Å; F397-Y415 AromaticContact CE2-CE1 3.42Å; F397-Y415 HydrophobicContact CE2-CE1 3.42Å; F397-Y415 VanDerWaalsContact CE2-CE1 3.42Å; F397-Y415 HydrophobicContact CZ-CE1 4.07Å; F397-Y415 WeakPolarHBondContact O-CD1 3.36Å; F397-P416 CarbonylContact O-C 3.55Å; F397-P416 VanDerWaalsContact O-CA 3.23Å; F397-P416 WeakPolarHBondContact O-CA 3.49Å; F397-R417 HydrophobicContact CD1-CB 4.18Å; F397-R417 WeakPolarHBondContact CD1-O 3.4Å; F397-R417 HydrophobicContact CE1-CB 3.64Å; F397-R417 HydrophobicContact CZ-CB 3.84Å; F397-R417 PolarHBondContact N-O 2.92Å; F397-R417 PolarHBondContact O-N 3.33Å; F397-S418 WeakPolarHBondContact CE1-O 3.2Å; F397-V421 HydrophobicContact CE1-CB 4.35Å; F397-W422 AromaticContact CD1-NE1 3.64Å; F397-W422 AromaticContact CE1-NE1 3.38Å; F397-W422 HydrophobicContact CE2-CZ2 4.16Å; F397-W422 HydrophobicContact CZ-CZ2 4.31Å; F397-W422 AromaticContact CZ-NE1 3.59Å
398	W	96.1	Very high	82.1	Confident	1 Å²	1	50.4 Å²	50.4	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.3	178.7	-65.7	-103.4	0	0	0	109	M366 T367 M368 V374 Y390 L391 Q396 F400 P411 P416	M366-W398 HydrophobicContact CB-CD2 4.28Å; M366-W398 HydrophobicContact CB-CZ2 4.35Å; M366-W398 HydrophobicContact CE-CB 4.31Å; M366-W398 HydrophobicContact CE-CD2 3.46Å; M366-W398 VanDerWaalsContact CE-CD2 3.46Å; M366-W398 HydrophobicContact CE-CE3 3.17Å; M366-W398 HydrophobicContact CE-CG 3.99Å; M366-W398 HydrophobicContact CE-CH2 4.34Å; M366-W398 HydrophobicContact CE-CZ3 3.69Å; M366-W398 HydrophobicContact CG-CB 4.49Å; M366-W398 HydrophobicContact CG-CD2 4.11Å; M366-W398 HydrophobicContact CG-CG 3.98Å; T367-W398 WeakPolarHBondContact O-CZ2 3.38Å; M368-W398 HydrophobicContact SD-CH2 3.65Å; M368-W398 HydrophobicContact SD-CZ2 4.19Å; V374-W398 HydrophobicContact CG2-CH2 3.59Å; V374-W398 HydrophobicContact CG2-CZ2 3.63Å; V374-W398 HydrophobicContact CG2-CZ3 4.39Å; Y390-W398 VanDerWaalsContact CA-O 3.31Å; Y390-W398 WeakPolarHBondContact CA-O 3.27Å; L391-W398 PolarHBondContact N-O 2.85Å; L391-W398 PolarHBondContact O-N 2.85Å; Q396-W398 HydrophobicContact CB-CH2 3.82Å; Q396-W398 HydrophobicContact CB-CZ3 3.9Å; W398-F400 HydrophobicContact CB-CD2 4.41Å; W398-F400 HydrophobicContact CB-CE2 3.58Å; W398-F400 HydrophobicContact CB-CZ 4.08Å; W398-P411 HydrophobicContact CB-CB 4.17Å; W398-P411 HydrophobicContact CG-CB 4.35Å; W398-P416 HydrophobicContact CD2-CB 4.01Å; W398-P416 HydrophobicContact CG-CB 4.45Å; W398-P416 HydrophobicContact CH2-CB 4.24Å; W398-P416 HydrophobicContact CZ2-CB 3.68Å; W398-P416 HydrophobicContact CZ2-CG 3.9Å
399	R	94.1	Very high	81.5	Confident	67 Å²	67	50.4 Å²	50.4	25%	0.253	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.4	175.5	-170.9	-177.4	74.1	-162.5	2.3	109.5	K388 T389 Y390 P411 D412 Y415	K388-R399 HydrophobicContact CB-CG 3.64Å; K388-R399 HydrophobicContact CG-CG 4.2Å; T389-R399 CarbonylContact O-C 3.6Å; T389-R399 VanDerWaalsContact O-CA 3.3Å; T389-R399 WeakPolarHBondContact O-CA 3.38Å; Y390-R399 HydrophobicContact CD1-CB 4.38Å; Y390-R399 HydrophobicContact CD1-CG 4.4Å; Y390-R399 HydrophobicContact CD2-CG 4.45Å; Y390-R399 HydrophobicContact CE1-CB 4.18Å; Y390-R399 HydrophobicContact CE1-CG 3.97Å; Y390-R399 HydrophobicContact CE2-CG 3.99Å; Y390-R399 VanDerWaalsContact OH-CD 3.26Å; Y390-R399 WeakPolarHBondContact OH-CD 3.23Å; R399-P411 WeakPolarHBondContact O-CA 3.12Å; R399-D412 IonicContact CZ-OD2 3.19Å; R399-D412 IonicContact NE-OD2 2.84Å; R399-D412 PolarHBondContact NE-OD2 2.84Å; R399-D412 IonicContact NH2-OD2 2.66Å; R399-D412 PolarHBondContact NH2-OD2 2.86Å; R399-D412 PolarHBondContact O-N 2.87Å; R399-Y415 HydrophobicContact CB-CD1 4.1Å; R399-Y415 HydrophobicContact CB-CD2 3.96Å; R399-Y415 HydrophobicContact CB-CE1 3.7Å; R399-Y415 HydrophobicContact CB-CE2 3.53Å; R399-Y415 HydrophobicContact CB-CG 4.22Å; R399-Y415 WeakPolarHBondContact CD-OH 3.33Å; R399-Y415 HydrophobicContact CG-CE2 4.45Å; R399-Y415 PolarHBondContact NH1-OH 3.3Å; R399-Y415 VanDerWaalsContact NH1-OH 3.14Å
400	F	92.4	Very high	81.2	Confident	3 Å²	3	55.1 Å²	55.1	1%	0.013	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136	179.8	-63.3	-96.6	0	0	0	110.8	W364 M366 T389 L391 W398 E402 E410 P411	W364-F400 HydrophobicContact CE3-CD1 4.11Å; W364-F400 HydrophobicContact CE3-CD2 4.37Å; W364-F400 AromaticContact CE3-CE1 3.78Å; W364-F400 HydrophobicContact CE3-CE1 3.78Å; W364-F400 HydrophobicContact CE3-CE2 4.07Å; W364-F400 HydrophobicContact CE3-CG 4.41Å; W364-F400 AromaticContact CE3-CZ 3.76Å; W364-F400 HydrophobicContact CE3-CZ 3.76Å; W364-F400 HydrophobicContact CZ3-CD1 4.22Å; W364-F400 HydrophobicContact CZ3-CD2 4.32Å; W364-F400 HydrophobicContact CZ3-CE1 4.34Å; W364-F400 HydrophobicContact CZ3-CE2 4.45Å; W364-F400 HydrophobicContact CZ3-CG 4.22Å; W364-F400 HydrophobicContact CZ3-CZ 4.47Å; M366-F400 HydrophobicContact CG-CE2 4.45Å; M366-F400 HydrophobicContact CG-CZ 3.79Å; M366-F400 HydrophobicContact SD-CE2 4.38Å; M366-F400 HydrophobicContact SD-CZ 4.13Å; T389-F400 PolarHBondContact N-O 3.47Å; T389-F400 VanDerWaalsContact N-O 3.09Å; T389-F400 PolarHBondContact O-N 3.15Å; L391-F400 HydrophobicContact CB-CE2 4.29Å; L391-F400 HydrophobicContact CD1-CD2 4.26Å; L391-F400 HydrophobicContact CD1-CE2 3.7Å; L391-F400 HydrophobicContact CD1-CZ 4.32Å; L391-F400 HydrophobicContact CG-CD2 4.21Å; L391-F400 HydrophobicContact CG-CE2 3.93Å; W398-F400 HydrophobicContact CB-CD2 4.41Å; W398-F400 HydrophobicContact CB-CE2 3.58Å; W398-F400 HydrophobicContact CB-CZ 4.08Å; F400-E402 HydrophobicContact CB-CG 4.21Å; F400-E410 VanDerWaalsContact CD1-O 3.29Å; F400-E410 WeakPolarHBondContact CD1-O 3.31Å; F400-E410 VanDerWaalsContact CE1-C 3.5Å; F400-P411 HydrophobicContact CD1-CB 4.47Å; F400-P411 HydrophobicContact CE1-CB 3.95Å; F400-P411 HydrophobicContact CE1-CG 4.5Å; F400-P411 VanDerWaalsContact CE1-N 3.32Å; F400-P411 HydrophobicContact CZ-CB 3.95Å
401	D	88.4	Confident	81.1	Confident	54 Å²	54	56.2 Å²	56.2	29%	0.289	31%	0.311	S	S	.	.			trans	-93.2	91.6	167.1	-171.3	4.8	0	0	0	111.6	K388 S403 D412	K388-D401 HydrophobicContact CD-CB 4.02Å; K388-D401 IonicContact NZ-OD1 2.78Å; K388-D401 PolarHBondContact NZ-OD1 2.93Å; K388-D401 IonicContact NZ-OD2 3.45Å; K388-D401 PolarHBondContact NZ-OD2 2.85Å; D401-S403 PolarHBondContact O-N 2.81Å; D401-S403 VanDerWaalsContact OD1-CB 3.27Å; D401-S403 WeakPolarHBondContact OD1-CB 3.43Å; D401-S403 PolarHBondContact OD1-N 3.13Å; D401-S403 VanDerWaalsContact OD1-N 3.14Å; D401-S403 PolarHBondContact OD1-OG 3.34Å; D401-S403 PolarHBondContact OD2-OG 2.86Å; D401-D412 PolarHBondContact N-OD1 2.86Å
402	E	83.3	Confident	80.9	Confident	32 Å²	32	57.5 Å²	57.5	15%	0.15	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	13	179.2	-61.2	-168.4	100.5	0	0	113.6	Y329 R331 S333 T389 F400	Y329-E402 PolarHBondContact OH-OE2 2.92Å; R331-E402 WeakPolarHBondContact CD-OE1 3.35Å; R331-E402 VanDerWaalsContact CD-OE2 3.28Å; R331-E402 WeakPolarHBondContact CD-OE2 3.33Å; R331-E402 HydrophobicContact CG-CB 4.42Å; R331-E402 WeakPolarHBondContact CG-OE2 3.49Å; R331-E402 IonicContact CZ-OE1 2.61Å; R331-E402 IonicContact NE-OE1 2.65Å; R331-E402 IonicContact NH1-OE1 3.93Å; R331-E402 PolarHBondContact NH1-OE1 2.99Å; R331-E402 VanDerWaalsContact NH1-OE1 3.16Å; S333-E402 WeakPolarHBondContact CB-O 3.46Å; S333-E402 PolarHBondContact OG-O 2.89Å; S333-E402 VanDerWaalsContact OG-O 3.06Å; T389-E402 WeakPolarHBondContact CB-OE2 3.14Å; T389-E402 PolarHBondContact OG1-OE2 3.23Å; F400-E402 HydrophobicContact CB-CG 4.21Å
403	S	73.3	Confident	80.7	Confident	85 Å²	85	63.3 Å²	63.3	59%	0.594	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-26.1	176.9	70.7	0	0	0	0	113.5	D401	D401-S403 PolarHBondContact O-N 2.81Å; D401-S403 VanDerWaalsContact OD1-CB 3.27Å; D401-S403 WeakPolarHBondContact OD1-CB 3.43Å; D401-S403 PolarHBondContact OD1-N 3.13Å; D401-S403 VanDerWaalsContact OD1-N 3.14Å; D401-S403 PolarHBondContact OD1-OG 3.34Å; D401-S403 PolarHBondContact OD2-OG 2.86Å
404	Q	60.9	Low	80.5	Confident	130 Å²	130	65.7 Å²	65.7	61%	0.607	38%	0.381	S	S	*	.	S	Bend	trans	-99.8	120.2	179.4	-58.2	-152.2	15.6	0	0	110.5	T406	Q404-T406 PolarHBondContact O-N 3.17Å
405	R	53.8	Low	80.6	Confident	245 Å²	245	65.1 Å²	65.1	93%	0.925	37%	0.365	S	S	*	.			trans	-71.7	36.7	177.7	-80.8	-175.1	171.1	-178.7	-1.1	113.5	G407	R405-G407 PolarHBondContact O-N 2.88Å
406	T	47.4	Very low	80.9	Confident	101 Å²	101	66.2 Å²	66.2	62%	0.62	37%	0.37	S	S	*	.			trans	-85.1	113.1	171	46.5	0	0	0	0	107.3	Q404 N408	Q404-T406 PolarHBondContact O-N 3.17Å; T406-N408 PolarHBondContact O-N 3.26Å
407	G	49.2	Very low	80.8	Confident	82 Å²	82	70.2 Å²	70.2	85%	0.845	38%	0.383	S	S	*	.	S	Bend	trans	-62.5	28	-166.4	0	0	0	0	0	118.9	R405	R405-G407 PolarHBondContact O-N 2.88Å
408	N	56	Low	80.7	Confident	100 Å²	100	71.8 Å²	71.8	54%	0.535	40%	0.395	S	S	.	.			trans	-116.4	116.8	170	-67.9	-18.6	0	0	0	109.3	T406 E410	T406-N408 PolarHBondContact O-N 3.26Å; N408-E410 VanDerWaalsContact C-N 3.28Å; N408-E410 PolarHBondContact O-N 3Å
409	Q	73.3	Confident	80.4	Confident	43 Å²	43	72.2 Å²	72.2	20%	0.201	40%	0.397	C	S	.	.			trans	-78.2	80.1	171.1	-72.5	168.3	-61.5	0	0	108.6	W364	W364-Q409 CarbonylContact C-O 3.23Å; W364-Q409 VanDerWaalsContact C-O 3.23Å; W364-Q409 WeakPolarHBondContact CA-O 3.39Å; W364-Q409 HydrophobicContact CE3-CB 4.47Å; W364-Q409 VanDerWaalsContact O-O 3.13Å
410	E	86.8	Confident	80.1	Confident	102 Å²	102	74 Å²	74	48%	0.477	41%	0.412	S	S	.	.			trans	-105.4	141.8	173.6	-79.7	-176.6	167	0	0	110.8	R365 F400 N408	R365-E410 HydrophobicContact CB-CG 4.37Å; R365-E410 WeakPolarHBondContact CD-OE1 3.31Å; R365-E410 HydrophobicContact CG-CG 4.46Å; R365-E410 IonicContact CZ-OE1 3.16Å; R365-E410 IonicContact NE-OE1 3.55Å; R365-E410 IonicContact NH1-OE1 3.91Å; R365-E410 PolarHBondContact NH1-OE1 3.04Å; F400-E410 VanDerWaalsContact CD1-O 3.29Å; F400-E410 WeakPolarHBondContact CD1-O 3.31Å; F400-E410 VanDerWaalsContact CE1-C 3.5Å; N408-E410 VanDerWaalsContact C-N 3.28Å; N408-E410 PolarHBondContact O-N 3Å
411	P	92.3	Very high	79.8	Confident	30 Å²	30	76.4 Å²	76.4	20%	0.195	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-67.2	150.2	172.1	28.7	-33.5	0	0	0	110.5	W398 R399 F400	W398-P411 HydrophobicContact CB-CB 4.17Å; W398-P411 HydrophobicContact CG-CB 4.35Å; R399-P411 WeakPolarHBondContact O-CA 3.12Å; F400-P411 HydrophobicContact CD1-CB 4.47Å; F400-P411 HydrophobicContact CE1-CB 3.95Å; F400-P411 HydrophobicContact CE1-CG 4.5Å; F400-P411 VanDerWaalsContact CE1-N 3.32Å; F400-P411 HydrophobicContact CZ-CB 3.95Å
412	D	91.9	Very high	79.7	Confident	26 Å²	26	74.2 Å²	74.2	14%	0.139	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-56.2	150.1	175.3	-79	-1.6	0	0	0	111	R399 D401 G414 Y415	R399-D412 IonicContact CZ-OD2 3.19Å; R399-D412 IonicContact NE-OD2 2.84Å; R399-D412 PolarHBondContact NE-OD2 2.84Å; R399-D412 IonicContact NH2-OD2 2.66Å; R399-D412 PolarHBondContact NH2-OD2 2.86Å; R399-D412 PolarHBondContact O-N 2.87Å; D401-D412 PolarHBondContact N-OD1 2.86Å; D412-G414 PolarHBondContact O-N 3.11Å; D412-Y415 HydrophobicContact CB-CD2 3.83Å; D412-Y415 HydrophobicContact CB-CE2 4.05Å; D412-Y415 WeakPolarHBondContact O-CD2 3.42Å; D412-Y415 PolarHBondContact O-N 2.8Å
413	P	91.3	Very high	79.6	Confident	125 Å²	125	75.3 Å²	75.3	81%	0.812	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	135.6	175	-25.8	34.4	0	0	0	112.6
414	G	89.9	Confident	80	Confident	54 Å²	54	72.5 Å²	72.5	56%	0.557	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	19.8	179.7	0	0	0	0	0	115	D412 R417	D412-G414 PolarHBondContact O-N 3.11Å; G414-R417 WeakPolarHBondContact O-CG 3.41Å; G414-R417 PolarHBondContact O-NE 2.59Å
415	Y	93.3	Very high	81.3	Confident	33 Å²	33	67.1 Å²	67.1	13%	0.129	38%	0.383	C	S	.	.			trans	-116.6	150.9	169	-71.9	-85.5	0	0	0	110.8	F397 R399 D412 R417	F397-Y415 HydrophobicContact CD2-CD1 4.27Å; F397-Y415 AromaticContact CD2-CE1 3.87Å; F397-Y415 HydrophobicContact CD2-CE1 3.87Å; F397-Y415 HydrophobicContact CE2-CD1 4.22Å; F397-Y415 AromaticContact CE2-CE1 3.42Å; F397-Y415 HydrophobicContact CE2-CE1 3.42Å; F397-Y415 VanDerWaalsContact CE2-CE1 3.42Å; F397-Y415 HydrophobicContact CZ-CE1 4.07Å; F397-Y415 WeakPolarHBondContact O-CD1 3.36Å; R399-Y415 HydrophobicContact CB-CD1 4.1Å; R399-Y415 HydrophobicContact CB-CD2 3.96Å; R399-Y415 HydrophobicContact CB-CE1 3.7Å; R399-Y415 HydrophobicContact CB-CE2 3.53Å; R399-Y415 HydrophobicContact CB-CG 4.22Å; R399-Y415 WeakPolarHBondContact CD-OH 3.33Å; R399-Y415 HydrophobicContact CG-CE2 4.45Å; R399-Y415 PolarHBondContact NH1-OH 3.3Å; R399-Y415 VanDerWaalsContact NH1-OH 3.14Å; D412-Y415 HydrophobicContact CB-CD2 3.83Å; D412-Y415 HydrophobicContact CB-CE2 4.05Å; D412-Y415 WeakPolarHBondContact O-CD2 3.42Å; D412-Y415 PolarHBondContact O-N 2.8Å; Y415-R417 HydrophobicContact CD1-CB 4.25Å; Y415-R417 HydrophobicContact CD1-CG 3.87Å; Y415-R417 HydrophobicContact CE1-CB 4.27Å; Y415-R417 HydrophobicContact CE1-CG 3.89Å
416	P	95.5	Very high	82.9	Confident	34 Å²	34	56.4 Å²	56.4	22%	0.221	35%	0.345	C	S	.	.			cis	-69.5	162	6.2	24.9	-31	0	0	0	115	P369 Q396 F397 W398	P369-P416 HydrophobicContact CG-CG 4.28Å; Q396-P416 HydrophobicContact CB-CB 4.03Å; F397-P416 CarbonylContact O-C 3.55Å; F397-P416 VanDerWaalsContact O-CA 3.23Å; F397-P416 WeakPolarHBondContact O-CA 3.49Å; W398-P416 HydrophobicContact CD2-CB 4.01Å; W398-P416 HydrophobicContact CG-CB 4.45Å; W398-P416 HydrophobicContact CH2-CB 4.24Å; W398-P416 HydrophobicContact CZ2-CB 3.68Å; W398-P416 HydrophobicContact CZ2-CG 3.9Å
417	R	93.4	Very high	84.4	Confident	123 Å²	123	54.3 Å²	54.3	46%	0.464	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.4	168.5	-68.3	-170.5	177.4	-153.3	-0.1	110.8	Q396 F397 G414 Y415	Q396-R417 CarbonylContact C-O 3.51Å; Q396-R417 WeakPolarHBondContact CA-O 3.28Å; Q396-R417 PolarHBondContact OE1-O 2.76Å; F397-R417 HydrophobicContact CD1-CB 4.18Å; F397-R417 WeakPolarHBondContact CD1-O 3.4Å; F397-R417 HydrophobicContact CE1-CB 3.64Å; F397-R417 HydrophobicContact CZ-CB 3.84Å; F397-R417 PolarHBondContact N-O 2.92Å; F397-R417 PolarHBondContact O-N 3.33Å; G414-R417 WeakPolarHBondContact O-CG 3.41Å; G414-R417 PolarHBondContact O-NE 2.59Å; Y415-R417 HydrophobicContact CD1-CB 4.25Å; Y415-R417 HydrophobicContact CD1-CG 3.87Å; Y415-R417 HydrophobicContact CE1-CB 4.27Å; Y415-R417 HydrophobicContact CE1-CG 3.89Å
418	S	92.3	Very high	86.1	Confident	37 Å²	37	56 Å²	56	26%	0.259	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	139.8	176.3	-170.6	0	0	0	0	111.5	F397 D420 V421	F397-S418 WeakPolarHBondContact CE1-O 3.2Å; S418-D420 PolarHBondContact O-N 3.08Å; S418-D420 VanDerWaalsContact O-N 3.16Å; S418-D420 VanDerWaalsContact OG-CG 3.26Å; S418-D420 PolarHBondContact OG-N 2.65Å; S418-D420 PolarHBondContact OG-OD2 2.94Å; S418-V421 WeakPolarHBondContact O-CG2 3.43Å; S418-V421 PolarHBondContact O-N 2.98Å
419	N	89.8	Confident	87.7	Confident	10 Å²	10	51.9 Å²	51.9	5%	0.053	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-60.5	-20.4	173.2	-71.4	0.7	0	0	0	113	F392 G395 Q396 V421 W422 T427	F392-N419 WeakPolarHBondContact CD1-OD1 3.37Å; G395-N419 WeakPolarHBondContact CA-ND2 3.32Å; G395-N419 WeakPolarHBondContact O-CB 3.17Å; G395-N419 VanDerWaalsContact O-CG 3.28Å; G395-N419 PolarHBondContact O-N 3.04Å; G395-N419 PolarHBondContact O-OD1 3.18Å; Q396-N419 PolarHBondContact O-OD1 3.02Å; N419-V421 PolarHBondContact O-N 3.43Å; N419-W422 VanDerWaalsContact O-CD1 3.3Å; N419-W422 PolarHBondContact O-N 2.67Å; N419-T427 PolarHBondContact ND2-O 3.31Å
420	D	87.3	Confident	88.5	Confident	105 Å²	105	52.3 Å²	52.3	56%	0.561	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-59.3	-17.3	178.4	-54.1	-40.5	0	0	0	113.5	S418 W422 T427	S418-D420 PolarHBondContact O-N 3.08Å; S418-D420 VanDerWaalsContact O-N 3.16Å; S418-D420 VanDerWaalsContact OG-CG 3.26Å; S418-D420 PolarHBondContact OG-N 2.65Å; S418-D420 PolarHBondContact OG-OD2 2.94Å; D420-W422 PolarHBondContact O-N 2.87Å; D420-T427 WeakPolarHBondContact OD1-CG2 3.49Å
421	V	86.8	Confident	88.9	Confident	53 Å²	53	47.4 Å²	47.4	32%	0.321	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-57.6	-37.6	172.6	173.2	0	0	0	0	110.5	F397 S418 N419 T423 I456	F397-V421 HydrophobicContact CE1-CB 4.35Å; S418-V421 WeakPolarHBondContact O-CG2 3.43Å; S418-V421 PolarHBondContact O-N 2.98Å; N419-V421 PolarHBondContact O-N 3.43Å; V421-T423 VanDerWaalsContact C-N 3.26Å; V421-T423 PolarHBondContact O-N 3.2Å; V421-T423 PolarHBondContact O-OG1 3.17Å; V421-I456 HydrophobicContact CG1-CD1 4.47Å; V421-I456 HydrophobicContact CG1-CG2 3.53Å; V421-I456 WeakPolarHBondContact O-CG2 3.23Å
422	W	85.4	Confident	89	Confident	8 Å²	8	46 Å²	46	3%	0.03	27%	0.267	C	S	.	.	S	Bend	trans	-76.5	71.2	-179.9	-54.6	95.5	0	0	0	111.5	F381 W383 Y390 F392 F397 N419 D420 G424 M425 F442 M451 I456	F381-W422 AromaticContact CZ-CH2 3.98Å; F381-W422 HydrophobicContact CZ-CH2 3.98Å; F381-W422 HydrophobicContact CZ-CZ2 4.49Å; W383-W422 HydrophobicContact CD2-CH2 4.39Å; W383-W422 HydrophobicContact CE3-CH2 4.34Å; W383-W422 HydrophobicContact CH2-CZ3 4.44Å; W383-W422 HydrophobicContact CZ2-CZ3 4.21Å; W383-W422 HydrophobicContact CZ3-CH2 4.41Å; Y390-W422 HydrophobicContact CD1-CH2 4.39Å; Y390-W422 AromaticContact CD1-CZ2 3.85Å; Y390-W422 HydrophobicContact CD1-CZ2 3.85Å; Y390-W422 HydrophobicContact CE1-CH2 4.22Å; Y390-W422 AromaticContact CE1-CZ2 3.9Å; Y390-W422 HydrophobicContact CE1-CZ2 3.9Å; F392-W422 AromaticContact CE1-NE1 3.47Å; F392-W422 AromaticContact CZ-CE2 3.97Å; F392-W422 HydrophobicContact CZ-CZ2 4.01Å; F392-W422 AromaticContact CZ-NE1 3.75Å; F397-W422 AromaticContact CD1-NE1 3.64Å; F397-W422 AromaticContact CE1-NE1 3.38Å; F397-W422 HydrophobicContact CE2-CZ2 4.16Å; F397-W422 HydrophobicContact CZ-CZ2 4.31Å; F397-W422 AromaticContact CZ-NE1 3.59Å; N419-W422 VanDerWaalsContact O-CD1 3.3Å; N419-W422 PolarHBondContact O-N 2.67Å; D420-W422 PolarHBondContact O-N 2.87Å; W422-G424 PolarHBondContact O-N 3.43Å; W422-M425 HydrophobicContact CB-CB 4.11Å; W422-M425 HydrophobicContact CB-CG 4.25Å; W422-M425 WeakPolarHBondContact O-CB 3.19Å; W422-M425 PolarHBondContact O-N 2.73Å; W422-M425 VanDerWaalsContact O-N 3.09Å; W422-F442 HydrophobicContact CB-CE1 4.46Å; W422-F442 HydrophobicContact CD2-CE1 4.37Å; W422-F442 HydrophobicContact CD2-CZ 4.06Å; W422-F442 HydrophobicContact CE3-CE1 4.47Å; W422-F442 AromaticContact CE3-CZ 3.72Å; W422-F442 HydrophobicContact CE3-CZ 3.72Å; W422-F442 HydrophobicContact CG-CE1 4.38Å; W422-F442 HydrophobicContact CG-CZ 4.43Å; W422-F442 HydrophobicContact CZ3-CZ 4.23Å; W422-M451 HydrophobicContact CB-CE 4.46Å; W422-M451 HydrophobicContact CE3-CE 3.84Å; W422-M451 HydrophobicContact CE3-SD 3.88Å; W422-M451 HydrophobicContact CZ3-SD 4.07Å; W422-I456 HydrophobicContact CE3-CG1 4.2Å; W422-I456 HydrophobicContact CZ3-CD1 4.45Å; W422-I456 HydrophobicContact CZ3-CG1 4.13Å
423	T	82.6	Confident	89.1	Confident	55 Å²	55	44.9 Å²	44.9	34%	0.337	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-62	133.4	-174.4	-53.9	0	0	0	0	110.9	V421 M425 I456 Q458	V421-T423 VanDerWaalsContact C-N 3.26Å; V421-T423 PolarHBondContact O-N 3.2Å; V421-T423 PolarHBondContact O-OG1 3.17Å; T423-M425 VanDerWaalsContact C-N 3.28Å; T423-I456 WeakPolarHBondContact CB-O 3.32Å; T423-I456 PolarHBondContact N-O 3.07Å; T423-Q458 CarbonylContact C-O 3.58Å; T423-Q458 PolarHBondContact O-N 2.97Å
424	G	81.9	Confident	88.9	Confident	27 Å²	27	40 Å²	40	28%	0.278	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-8.5	-176.8	0	0	0	0	0	114.4	W422 Q458	W422-G424 PolarHBondContact O-N 3.43Å; G424-Q458 WeakPolarHBondContact CA-O 3.24Å; G424-Q458 PolarHBondContact N-O 3.02Å
425	M	88.1	Confident	88.6	Confident	17 Å²	17	39 Å²	39	8%	0.084	21%	0.208	C	C	.	.	S	Bend	trans	-98	159.4	175.2	-58.6	-60.6	116.8	0	0	111.7	W422 T423 T427 F442 W449 M451 V461	W422-M425 HydrophobicContact CB-CB 4.11Å; W422-M425 HydrophobicContact CB-CG 4.25Å; W422-M425 WeakPolarHBondContact O-CB 3.19Å; W422-M425 PolarHBondContact O-N 2.73Å; W422-M425 VanDerWaalsContact O-N 3.09Å; T423-M425 VanDerWaalsContact C-N 3.28Å; M425-T427 PolarHBondContact O-N 2.67Å; M425-F442 HydrophobicContact CB-CD1 3.87Å; M425-F442 HydrophobicContact CB-CD2 4.45Å; M425-F442 HydrophobicContact CB-CE1 4.1Å; M425-F442 HydrophobicContact CB-CG 4.08Å; M425-F442 HydrophobicContact CB-CZ 4.49Å; M425-F442 HydrophobicContact CG-CD1 3.97Å; M425-F442 HydrophobicContact CG-CD2 3.72Å; M425-F442 HydrophobicContact CG-CE1 4Å; M425-F442 HydrophobicContact CG-CE2 3.74Å; M425-F442 HydrophobicContact CG-CG 3.86Å; M425-F442 HydrophobicContact CG-CZ 3.89Å; M425-F442 HydrophobicContact SD-CB 4Å; M425-F442 HydrophobicContact SD-CD1 4.33Å; M425-F442 HydrophobicContact SD-CD2 3.27Å; M425-F442 WeakPolarHBondContact SD-CD2 3.27Å; M425-F442 HydrophobicContact SD-CE2 3.78Å; M425-F442 HydrophobicContact SD-CG 3.61Å; M425-W449 HydrophobicContact CE-CB 4.09Å; M425-W449 HydrophobicContact SD-CB 3.63Å; M425-M451 HydrophobicContact CE-CB 4.06Å; M425-M451 HydrophobicContact CE-CE 4.22Å; M425-M451 HydrophobicContact CG-CE 3.56Å; M425-M451 HydrophobicContact SD-CB 4.27Å; M425-M451 HydrophobicContact SD-CE 4.34Å; M425-V461 HydrophobicContact CE-CB 3.76Å; M425-V461 HydrophobicContact CE-CG1 3.92Å; M425-V461 HydrophobicContact CE-CG2 3.49Å; M425-V461 VanDerWaalsContact CE-CG2 3.49Å
426	P	86.1	Confident	87.8	Confident	19 Å²	19	40.2 Å²	40.2	12%	0.123	23%	0.231	C	C	.	.			trans	-65.2	134.1	173.4	-16	29	0	0	0	112.2	H428 K444 W449	P426-H428 PolarHBondContact O-N 2.84Å; P426-K444 HydrophobicContact CB-CB 4.3Å; P426-K444 HydrophobicContact CB-CD 3.55Å; P426-K444 HydrophobicContact CG-CB 4.14Å; P426-K444 HydrophobicContact CG-CD 4.12Å; P426-W449 HydrophobicContact CG-CD2 3.77Å; P426-W449 HydrophobicContact CG-CE3 3.48Å; P426-W449 VanDerWaalsContact CG-CE3 3.48Å; P426-W449 HydrophobicContact CG-CH2 3.98Å; P426-W449 HydrophobicContact CG-CZ2 4.18Å; P426-W449 HydrophobicContact CG-CZ3 3.65Å
427	T	80.4	Confident	86.6	Confident	58 Å²	58	47.7 Å²	47.7	36%	0.356	26%	0.263	S	S	.	.	S	Bend	trans	-69	-31.8	178.8	52.1	0	0	0	0	113.8	N419 D420 M425	N419-T427 PolarHBondContact ND2-O 3.31Å; D420-T427 WeakPolarHBondContact OD1-CG2 3.49Å; M425-T427 PolarHBondContact O-N 2.67Å
428	H	84.2	Confident	85.7	Confident	117 Å²	117	42.1 Å²	42.1	54%	0.542	24%	0.244	S	C	.	.	S	Bend	trans	-119.7	94.9	172.6	-57.5	-70.2	0	0	0	108.3	P426 K444	P426-H428 PolarHBondContact O-N 2.84Å; H428-K444 WeakPolarHBondContact O-CD 3.42Å; H428-K444 WeakPolarHBondContact O-CE 3.22Å; H428-K444 PolarHBondContact O-NZ 3.43Å
429	M	89.3	Confident	85.5	Confident	14 Å²	14	41.6 Å²	41.6	7%	0.069	24%	0.238	C	C	.	.			trans	-99.2	158.9	177.8	64.3	-133.7	-177.4	0	0	110.9	A379 F392 V432 F442 F443	A379-M429 HydrophobicContact CB-CE 3.85Å; A379-M429 HydrophobicContact CB-CG 4.27Å; F392-M429 HydrophobicContact CB-CE 3.78Å; F392-M429 HydrophobicContact CD1-CE 3.04Å; F392-M429 HydrophobicContact CD2-CE 3.49Å; F392-M429 VanDerWaalsContact CD2-CE 3.49Å; F392-M429 HydrophobicContact CE1-CE 3.36Å; F392-M429 HydrophobicContact CE2-CE 3.79Å; F392-M429 HydrophobicContact CG-CE 3.12Å; F392-M429 HydrophobicContact CZ-CE 3.73Å; M429-V432 HydrophobicContact CE-CG2 3.36Å; M429-V432 HydrophobicContact CG-CG2 3.93Å; M429-V432 HydrophobicContact SD-CG2 3.51Å; M429-V432 VanDerWaalsContact SD-CG2 3.51Å; M429-F442 HydrophobicContact CE-CE1 4.48Å; M429-F442 HydrophobicContact SD-CD1 3.53Å; M429-F442 VanDerWaalsContact SD-CD1 3.53Å; M429-F442 HydrophobicContact SD-CE1 3.89Å; M429-F443 WeakPolarHBondContact CB-O 3.25Å
430	D	90.9	Very high	85.4	Confident	51 Å²	51	41.1 Å²	41.1	27%	0.273	24%	0.236	S	C	.	.	S	Bend	trans	-85.5	-36.5	176.8	-58.1	-25.5	0	0	0	111.2	F443 K444 G445	D430-F443 PolarHBondContact N-O 3.36Å; D430-K444 WeakPolarHBondContact OD2-CA 3.21Å; D430-G445 PolarHBondContact OD2-N 3Å
431	D	94.8	Very high	85.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	173.4	167	-142.7	-26.9	0	0	0	111.5	A278 V279 A379 A380 F443	A278-D431 WeakPolarHBondContact CA-OD2 3.45Å; V279-D431 HydrophobicContact CB-CB 3.99Å; V279-D431 HydrophobicContact CG2-CB 4.4Å; V279-D431 PolarHBondContact N-OD2 3.21Å; A379-D431 VanDerWaalsContact CA-OD1 3.29Å; A379-D431 WeakPolarHBondContact CA-OD1 2.94Å; A379-D431 WeakPolarHBondContact CB-OD1 3.4Å; A380-D431 PolarHBondContact N-OD1 3.17Å; A380-D431 VanDerWaalsContact N-OD1 3.14Å; D431-F443 PolarHBondContact O-N 3.3Å
432	V	94	Very high	86	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	139.1	173.3	-174.4	0	0	0	0	109.3	A379 F381 M429 Y441 F442	A379-V432 HydrophobicContact CB-CG2 4.35Å; F381-V432 HydrophobicContact CB-CB 4.42Å; F381-V432 HydrophobicContact CB-CG1 4.48Å; F381-V432 VanDerWaalsContact CB-O 3.24Å; F381-V432 WeakPolarHBondContact CB-O 3.39Å; F381-V432 HydrophobicContact CD1-CB 3.71Å; F381-V432 HydrophobicContact CD1-CG1 3.61Å; F381-V432 HydrophobicContact CD2-CG1 4.17Å; F381-V432 HydrophobicContact CE1-CB 4.13Å; F381-V432 HydrophobicContact CE1-CG1 3.69Å; F381-V432 HydrophobicContact CE2-CG1 4.24Å; F381-V432 HydrophobicContact CG-CB 4.15Å; F381-V432 HydrophobicContact CG-CG1 3.86Å; F381-V432 HydrophobicContact CZ-CG1 4.02Å; M429-V432 HydrophobicContact CE-CG2 3.36Å; M429-V432 HydrophobicContact CG-CG2 3.93Å; M429-V432 HydrophobicContact SD-CG2 3.51Å; M429-V432 VanDerWaalsContact SD-CG2 3.51Å; V432-Y441 CarbonylContact C-O 3.58Å; V432-Y441 VanDerWaalsContact CA-O 3.27Å; V432-Y441 WeakPolarHBondContact CA-O 3.37Å; V432-F442 HydrophobicContact CB-CD1 4.5Å; V432-F442 HydrophobicContact CG1-CD1 4.22Å; V432-F442 HydrophobicContact CG1-CD2 4.21Å; V432-F442 HydrophobicContact CG1-CE1 4.13Å; V432-F442 HydrophobicContact CG1-CE2 4.13Å; V432-F442 HydrophobicContact CG1-CG 4.25Å; V432-F442 HydrophobicContact CG1-CZ 4.07Å; V432-F442 HydrophobicContact CG2-CD1 3.44Å; V432-F442 VanDerWaalsContact CG2-CD1 3.44Å; V432-F442 HydrophobicContact CG2-CE1 3.69Å; V432-F442 HydrophobicContact CG2-CG 4.01Å; V432-F442 HydrophobicContact CG2-CZ 4.45Å
433	I	93.9	Very high	86.4	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157.2	169.7	74.2	-173.6	0	0	0	110.9	V279 N281 V286 W435 A440 Y441 F443 W470	V279-I433 HydrophobicContact CB-CG2 4.44Å; V279-I433 HydrophobicContact CG1-CD1 4.4Å; V279-I433 HydrophobicContact CG1-CG2 4.08Å; V279-I433 WeakPolarHBondContact O-CG2 3.26Å; N281-I433 HydrophobicContact CB-CB 4.16Å; V286-I433 HydrophobicContact CB-CD1 4.32Å; V286-I433 HydrophobicContact CG1-CD1 3.57Å; V286-I433 HydrophobicContact CG2-CD1 3.71Å; I433-W435 HydrophobicContact CD1-CB 4.28Å; I433-W435 HydrophobicContact CG1-CB 4.33Å; I433-A440 CarbonylContact O-C 3.49Å; I433-A440 WeakPolarHBondContact O-CA 3.46Å; I433-Y441 PolarHBondContact N-O 2.8Å; I433-Y441 PolarHBondContact O-N 3.21Å; I433-F443 HydrophobicContact CD1-CE2 3.83Å; I433-F443 HydrophobicContact CD1-CZ 3.99Å; I433-F443 HydrophobicContact CG1-CE2 3.86Å; I433-F443 HydrophobicContact CG1-CZ 4.44Å; I433-F443 HydrophobicContact CG2-CE2 4.33Å; I433-W470 HydrophobicContact CD1-CH2 4.2Å
434	T	88.1	Confident	86.9	Confident	21 Å²	21	36.1 Å²	36.1	13%	0.129	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131	161.7	-69.3	0	0	0	0	108.8	N281 F381 V382 A384 D439	N281-T434 PolarHBondContact ND2-O 3.24Å; F381-T434 WeakPolarHBondContact CD2-OG1 3.33Å; V382-T434 PolarHBondContact O-OG1 3.06Å; A384-T434 HydrophobicContact CB-CG2 3.56Å; T434-D439 WeakPolarHBondContact CA-O 3.47Å
435	W	83.5	Confident	87.3	Confident	33 Å²	33	36 Å²	36	13%	0.125	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	159.1	-177.9	-177.6	-103.3	0	0	0	112.8	G284 V286 R299 I433 E437 G438 D439 Y441 W470	G284-W435 VanDerWaalsContact C-CZ3 3.41Å; G284-W435 WeakPolarHBondContact O-CH2 3.36Å; G284-W435 WeakPolarHBondContact O-CZ3 3.44Å; V286-W435 HydrophobicContact CG2-CD2 3.84Å; V286-W435 HydrophobicContact CG2-CE3 3.34Å; V286-W435 HydrophobicContact CG2-CH2 3.74Å; V286-W435 HydrophobicContact CG2-CZ2 4.24Å; V286-W435 HydrophobicContact CG2-CZ3 3.29Å; R299-W435 VanDerWaalsContact CA-CH2 3.46Å; R299-W435 HydrophobicContact CB-CH2 4.42Å; R299-W435 HydrophobicContact CG-CH2 4.24Å; R299-W435 WeakPolarHBondContact O-CZ2 3.33Å; I433-W435 HydrophobicContact CD1-CB 4.28Å; I433-W435 HydrophobicContact CG1-CB 4.33Å; W435-E437 PolarHBondContact O-N 3.44Å; W435-G438 PolarHBondContact O-N 3.38Å; W435-D439 PolarHBondContact N-O 2.86Å; W435-D439 PolarHBondContact O-N 2.9Å; W435-Y441 HydrophobicContact CB-CD2 3.74Å; W435-Y441 HydrophobicContact CB-CE2 3.59Å; W435-Y441 AromaticContact CD1-CZ 3.99Å; W435-Y441 HydrophobicContact CG-CE2 4.3Å; W435-W470 HydrophobicContact CB-CH2 4.37Å; W435-W470 AromaticContact CD1-CH2 3.6Å; W435-W470 HydrophobicContact CD2-CH2 4.11Å; W435-W470 HydrophobicContact CD2-CZ3 4.36Å; W435-W470 AromaticContact CG-CH2 3.78Å; W435-W470 HydrophobicContact CG-CH2 3.78Å; W435-W470 HydrophobicContact CG-CZ3 4.48Å; W435-W470 HydrophobicContact CZ2-CZ3 4.47Å; W435-W470 AromaticContact NE1-CH2 3.81Å
436	G	75.4	Confident	87.4	Confident	60 Å²	60	38.9 Å²	38.9	62%	0.619	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	-126.9	178.8	0	0	0	0	0	112.4	G438	G436-G438 PolarHBondContact O-N 3.36Å; G436-G438 VanDerWaalsContact O-N 3.1Å
437	E	70.9	Confident	87.7	Confident	190 Å²	190	42.5 Å²	42.5	89%	0.888	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	9.6	-179.7	-59.8	-58.5	142.1	0	0	113.8	W435	W435-E437 PolarHBondContact O-N 3.44Å
438	G	75.1	Confident	88.4	Confident	6 Å²	6	40.3 Å²	40.3	6%	0.062	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.6	9.4	-179.7	0	0	0	0	0	114.7	A384 W435 G436	A384-G438 VanDerWaalsContact CB-CA 3.42Å; A384-G438 WeakPolarHBondContact CB-O 3.32Å; W435-G438 PolarHBondContact O-N 3.38Å; G436-G438 PolarHBondContact O-N 3.36Å; G436-G438 VanDerWaalsContact O-N 3.1Å
439	D	86.4	Confident	88.8	Confident	26 Å²	26	36.6 Å²	36.6	14%	0.139	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	147	174.2	-70.6	-17.8	0	0	0	110.9	T434 W435 Y441 V450 K452	T434-D439 WeakPolarHBondContact CA-O 3.47Å; W435-D439 PolarHBondContact N-O 2.86Å; W435-D439 PolarHBondContact O-N 2.9Å; D439-Y441 HydrophobicContact CB-CD2 4.31Å; D439-Y441 HydrophobicContact CB-CE2 3.7Å; D439-Y441 WeakPolarHBondContact O-CD2 3.37Å; D439-V450 HydrophobicContact CB-CG1 3.95Å; D439-K452 WeakPolarHBondContact OD1-CA 3.34Å
440	A	88.8	Confident	88.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.1	176.8	0	0	0	0	0	110.6	F381 I433 F442 M451	F381-A440 HydrophobicContact CE2-CB 4.4Å; I433-A440 CarbonylContact O-C 3.49Å; I433-A440 WeakPolarHBondContact O-CA 3.46Å; A440-F442 HydrophobicContact CB-CD2 4.43Å; A440-F442 HydrophobicContact CB-CE2 3.72Å; A440-M451 HydrophobicContact CB-CB 4.34Å; A440-M451 PolarHBondContact N-O 3.37Å; A440-M451 VanDerWaalsContact N-O 3.07Å; A440-M451 PolarHBondContact O-N 3.38Å
441	Y	93	Very high	88.6	Confident	35 Å²	35	34.3 Å²	34.3	14%	0.137	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.2	-177	-70.1	-113.1	0	0	0	108.7	V432 I433 W435 D439 Y448 W449 V450 W470	V432-Y441 CarbonylContact C-O 3.58Å; V432-Y441 VanDerWaalsContact CA-O 3.27Å; V432-Y441 WeakPolarHBondContact CA-O 3.37Å; I433-Y441 PolarHBondContact N-O 2.8Å; I433-Y441 PolarHBondContact O-N 3.21Å; W435-Y441 HydrophobicContact CB-CD2 3.74Å; W435-Y441 HydrophobicContact CB-CE2 3.59Å; W435-Y441 AromaticContact CD1-CZ 3.99Å; W435-Y441 HydrophobicContact CG-CE2 4.3Å; D439-Y441 HydrophobicContact CB-CD2 4.31Å; D439-Y441 HydrophobicContact CB-CE2 3.7Å; D439-Y441 WeakPolarHBondContact O-CD2 3.37Å; Y441-Y448 AromaticContact CD1-CD2 3.68Å; Y441-Y448 HydrophobicContact CD1-CD2 3.68Å; Y441-Y448 AromaticContact CD1-CE2 3.67Å; Y441-Y448 HydrophobicContact CD1-CE2 3.67Å; Y441-Y448 HydrophobicContact CE1-CD2 4.35Å; Y441-Y448 AromaticContact CE1-CE2 3.87Å; Y441-Y448 HydrophobicContact CE1-CE2 3.87Å; Y441-W449 CarbonylContact C-O 3.52Å; Y441-W449 WeakPolarHBondContact CA-O 3.38Å; Y441-V450 HydrophobicContact CD1-CG1 4.41Å; Y441-V450 HydrophobicContact CD1-CG2 3.57Å; Y441-V450 HydrophobicContact CD2-CG1 4.39Å; Y441-V450 HydrophobicContact CE1-CB 4.44Å; Y441-V450 HydrophobicContact CE1-CG1 4.1Å; Y441-V450 HydrophobicContact CE1-CG2 3.48Å; Y441-V450 VanDerWaalsContact CE1-CG2 3.48Å; Y441-V450 HydrophobicContact CE2-CG1 4.06Å; Y441-V450 HydrophobicContact CG-CG2 4.31Å; Y441-W470 HydrophobicContact CD1-CH2 4.46Å; Y441-W470 AromaticContact CD1-CZ2 3.6Å; Y441-W470 HydrophobicContact CD1-CZ2 3.6Å; Y441-W470 HydrophobicContact CE1-CH2 4.43Å; Y441-W470 AromaticContact CE1-CZ2 3.71Å; Y441-W470 HydrophobicContact CE1-CZ2 3.71Å; Y441-W470 HydrophobicContact CG-CZ2 4.35Å
442	F	93.6	Very high	88	Confident	1 Å²	1	39.7 Å²	39.7	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.3	-178.3	-68.4	-108.5	0	0	0	108.8	W422 M425 M429 V432 A440 Y448 W449 M451	W422-F442 HydrophobicContact CB-CE1 4.46Å; W422-F442 HydrophobicContact CD2-CE1 4.37Å; W422-F442 HydrophobicContact CD2-CZ 4.06Å; W422-F442 HydrophobicContact CE3-CE1 4.47Å; W422-F442 AromaticContact CE3-CZ 3.72Å; W422-F442 HydrophobicContact CE3-CZ 3.72Å; W422-F442 HydrophobicContact CG-CE1 4.38Å; W422-F442 HydrophobicContact CG-CZ 4.43Å; W422-F442 HydrophobicContact CZ3-CZ 4.23Å; M425-F442 HydrophobicContact CB-CD1 3.87Å; M425-F442 HydrophobicContact CB-CD2 4.45Å; M425-F442 HydrophobicContact CB-CE1 4.1Å; M425-F442 HydrophobicContact CB-CG 4.08Å; M425-F442 HydrophobicContact CB-CZ 4.49Å; M425-F442 HydrophobicContact CG-CD1 3.97Å; M425-F442 HydrophobicContact CG-CD2 3.72Å; M425-F442 HydrophobicContact CG-CE1 4Å; M425-F442 HydrophobicContact CG-CE2 3.74Å; M425-F442 HydrophobicContact CG-CG 3.86Å; M425-F442 HydrophobicContact CG-CZ 3.89Å; M425-F442 HydrophobicContact SD-CB 4Å; M425-F442 HydrophobicContact SD-CD1 4.33Å; M425-F442 HydrophobicContact SD-CD2 3.27Å; M425-F442 WeakPolarHBondContact SD-CD2 3.27Å; M425-F442 HydrophobicContact SD-CE2 3.78Å; M425-F442 HydrophobicContact SD-CG 3.61Å; M429-F442 HydrophobicContact CE-CE1 4.48Å; M429-F442 HydrophobicContact SD-CD1 3.53Å; M429-F442 VanDerWaalsContact SD-CD1 3.53Å; M429-F442 HydrophobicContact SD-CE1 3.89Å; V432-F442 HydrophobicContact CB-CD1 4.5Å; V432-F442 HydrophobicContact CG1-CD1 4.22Å; V432-F442 HydrophobicContact CG1-CD2 4.21Å; V432-F442 HydrophobicContact CG1-CE1 4.13Å; V432-F442 HydrophobicContact CG1-CE2 4.13Å; V432-F442 HydrophobicContact CG1-CG 4.25Å; V432-F442 HydrophobicContact CG1-CZ 4.07Å; V432-F442 HydrophobicContact CG2-CD1 3.44Å; V432-F442 VanDerWaalsContact CG2-CD1 3.44Å; V432-F442 HydrophobicContact CG2-CE1 3.69Å; V432-F442 HydrophobicContact CG2-CG 4.01Å; V432-F442 HydrophobicContact CG2-CZ 4.45Å; A440-F442 HydrophobicContact CB-CD2 4.43Å; A440-F442 HydrophobicContact CB-CE2 3.72Å; F442-Y448 CarbonylContact O-C 3.58Å; F442-Y448 WeakPolarHBondContact O-CA 3.38Å; F442-Y448 WeakPolarHBondContact O-CB 3.39Å; F442-W449 HydrophobicContact CB-CB 4.43Å; F442-W449 PolarHBondContact N-O 2.87Å; F442-W449 PolarHBondContact O-N 2.9Å; F442-M451 HydrophobicContact CE2-CB 4.07Å; F442-M451 HydrophobicContact CE2-CE 4.29Å; F442-M451 HydrophobicContact CE2-SD 4.5Å; F442-M451 HydrophobicContact CZ-CE 4.44Å
443	F	94.3	Very high	86.6	Confident	5 Å²	5	46.4 Å²	46.4	2%	0.022	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137.8	-178.5	-64.1	-90.6	0	0	0	111	V279 F288 M429 D430 D431 I433 Y448 T466 W470	V279-F443 HydrophobicContact CB-CD2 4.01Å; V279-F443 HydrophobicContact CB-CE2 4.16Å; V279-F443 HydrophobicContact CB-CG 4.4Å; V279-F443 HydrophobicContact CG1-CD2 4.04Å; V279-F443 HydrophobicContact CG1-CE1 4.41Å; V279-F443 HydrophobicContact CG1-CE2 3.68Å; V279-F443 HydrophobicContact CG1-CZ 3.89Å; V279-F443 HydrophobicContact CG2-CB 4.43Å; V279-F443 HydrophobicContact CG2-CD1 4.41Å; V279-F443 HydrophobicContact CG2-CD2 4.21Å; V279-F443 HydrophobicContact CG2-CG 4.09Å; F288-F443 AromaticContact CE1-CE1 3.93Å; F288-F443 HydrophobicContact CE1-CE1 3.93Å; F288-F443 HydrophobicContact CE1-CZ 4.33Å; F288-F443 HydrophobicContact CZ-CE1 4.48Å; M429-F443 WeakPolarHBondContact CB-O 3.25Å; D430-F443 PolarHBondContact N-O 3.36Å; D431-F443 PolarHBondContact O-N 3.3Å; I433-F443 HydrophobicContact CD1-CE2 3.83Å; I433-F443 HydrophobicContact CD1-CZ 3.99Å; I433-F443 HydrophobicContact CG1-CE2 3.86Å; I433-F443 HydrophobicContact CG1-CZ 4.44Å; I433-F443 HydrophobicContact CG2-CE2 4.33Å; F443-Y448 HydrophobicContact CD1-CG 4.46Å; F443-Y448 HydrophobicContact CE1-CG 4.17Å; F443-T466 HydrophobicContact CD1-CG2 4.04Å; F443-T466 HydrophobicContact CE1-CG2 4.06Å; F443-W470 AromaticContact CE1-NE1 3.96Å; F443-W470 HydrophobicContact CZ-CZ2 4.23Å
444	K	92.6	Very high	85	Confident	76 Å²	76	47.2 Å²	47.2	33%	0.33	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	121.1	171.6	-177.3	179.9	-174.7	149.4	0	111.2	P426 H428 D430 D446 F447 W449	P426-K444 HydrophobicContact CB-CB 4.3Å; P426-K444 HydrophobicContact CB-CD 3.55Å; P426-K444 HydrophobicContact CG-CB 4.14Å; P426-K444 HydrophobicContact CG-CD 4.12Å; H428-K444 WeakPolarHBondContact O-CD 3.42Å; H428-K444 WeakPolarHBondContact O-CE 3.22Å; H428-K444 PolarHBondContact O-NZ 3.43Å; D430-K444 WeakPolarHBondContact OD2-CA 3.21Å; K444-D446 PolarHBondContact O-N 3.46Å; K444-F447 PolarHBondContact N-O 2.88Å; K444-F447 PolarHBondContact O-N 2.9Å; K444-F447 VanDerWaalsContact O-N 3.1Å; K444-F447 VanDerWaalsContact O-O 3.13Å; K444-W449 HydrophobicContact CB-CH2 4.19Å; K444-W449 HydrophobicContact CB-CZ3 3.69Å
445	G	90.6	Very high	83.8	Confident	25 Å²	25	47.6 Å²	47.6	26%	0.258	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-127.8	-176	0	0	0	0	0	110.9	S275 D430 F447	S275-G445 PolarHBondContact N-O 3.47Å; D430-G445 PolarHBondContact OD2-N 3Å; G445-F447 PolarHBondContact O-N 2.99Å
446	D	90.4	Very high	82.9	Confident	77 Å²	77	48.3 Å²	48.3	41%	0.412	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	0.8	-179.8	-60.4	-38.4	0	0	0	114.1	Q273 G274 K444 T466	Q273-D446 VanDerWaalsContact O-OD1 3.07Å; G274-D446 WeakPolarHBondContact CA-OD1 3.17Å; G274-D446 PolarHBondContact N-OD1 3.26Å; K444-D446 PolarHBondContact O-N 3.46Å; D446-T466 PolarHBondContact O-N 3.2Å; D446-T466 PolarHBondContact O-OG1 3.1Å
447	F	92.5	Very high	82.3	Confident	94 Å²	94	51.7 Å²	51.7	41%	0.412	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	160.2	-168	-58.5	-79	0	0	0	113.3	K444 G445 W449 P463 K464 T466	K444-F447 PolarHBondContact N-O 2.88Å; K444-F447 PolarHBondContact O-N 2.9Å; K444-F447 VanDerWaalsContact O-N 3.1Å; K444-F447 VanDerWaalsContact O-O 3.13Å; G445-F447 PolarHBondContact O-N 2.99Å; F447-W449 HydrophobicContact CB-CH2 3.62Å; F447-W449 HydrophobicContact CB-CZ2 4.41Å; F447-W449 HydrophobicContact CB-CZ3 3.68Å; F447-P463 HydrophobicContact CB-CB 3.99Å; F447-P463 HydrophobicContact CD1-CB 4.02Å; F447-P463 HydrophobicContact CG-CB 4.15Å; F447-K464 CarbonylContact C-O 3.4Å; F447-K464 WeakPolarHBondContact CA-O 3.31Å; F447-T466 PolarHBondContact O-OG1 2.93Å
448	Y	93.8	Very high	82.2	Confident	13 Å²	13	44.7 Å²	44.7	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154.5	168.6	75.5	-82	0	0	0	111.8	Y441 F442 F443 V450 K464 D469 W470	Y441-Y448 AromaticContact CD1-CD2 3.68Å; Y441-Y448 HydrophobicContact CD1-CD2 3.68Å; Y441-Y448 AromaticContact CD1-CE2 3.67Å; Y441-Y448 HydrophobicContact CD1-CE2 3.67Å; Y441-Y448 HydrophobicContact CE1-CD2 4.35Å; Y441-Y448 AromaticContact CE1-CE2 3.87Å; Y441-Y448 HydrophobicContact CE1-CE2 3.87Å; F442-Y448 CarbonylContact O-C 3.58Å; F442-Y448 WeakPolarHBondContact O-CA 3.38Å; F442-Y448 WeakPolarHBondContact O-CB 3.39Å; F443-Y448 HydrophobicContact CD1-CG 4.46Å; F443-Y448 HydrophobicContact CE1-CG 4.17Å; Y448-V450 HydrophobicContact CD2-CG2 3.85Å; Y448-V450 HydrophobicContact CE2-CG2 3.53Å; Y448-K464 HydrophobicContact CD1-CB 3.87Å; Y448-K464 WeakPolarHBondContact CD1-O 3.47Å; Y448-K464 HydrophobicContact CD2-CB 4.49Å; Y448-K464 HydrophobicContact CE1-CB 3.31Å; Y448-K464 HydrophobicContact CE1-CD 4.37Å; Y448-K464 HydrophobicContact CE1-CG 4.5Å; Y448-K464 HydrophobicContact CE2-CB 4.04Å; Y448-K464 HydrophobicContact CE2-CD 3.91Å; Y448-K464 HydrophobicContact CG-CB 4.42Å; Y448-K464 VanDerWaalsContact CZ-CB 3.41Å; Y448-K464 PolarHBondContact N-O 3.36Å; Y448-K464 PolarHBondContact O-N 2.96Å; Y448-K464 WeakPolarHBondContact OH-CD 3.24Å; Y448-D469 HydrophobicContact CE1-CB 3.88Å; Y448-D469 WeakPolarHBondContact CE1-OD2 3.31Å; Y448-D469 PolarHBondContact OH-OD2 3.41Å; Y448-W470 AromaticContact CD1-CD1 3.85Å; Y448-W470 AromaticContact CD1-NE1 3.63Å; Y448-W470 AromaticContact CD2-NE1 3.92Å; Y448-W470 AromaticContact CE1-CD1 3.62Å; Y448-W470 AromaticContact CE1-NE1 3.41Å; Y448-W470 AromaticContact CE2-NE1 3.69Å; Y448-W470 AromaticContact CG-NE1 3.88Å; Y448-W470 AromaticContact CZ-NE1 3.44Å
449	W	93	Very high	81.5	Confident	39 Å²	39	53.6 Å²	53.6	15%	0.148	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.9	178.7	-67	-107.3	0	0	0	108.8	M425 P426 Y441 F442 K444 F447 V461 P463	M425-W449 HydrophobicContact CE-CB 4.09Å; M425-W449 HydrophobicContact SD-CB 3.63Å; P426-W449 HydrophobicContact CG-CD2 3.77Å; P426-W449 HydrophobicContact CG-CE3 3.48Å; P426-W449 VanDerWaalsContact CG-CE3 3.48Å; P426-W449 HydrophobicContact CG-CH2 3.98Å; P426-W449 HydrophobicContact CG-CZ2 4.18Å; P426-W449 HydrophobicContact CG-CZ3 3.65Å; Y441-W449 CarbonylContact C-O 3.52Å; Y441-W449 WeakPolarHBondContact CA-O 3.38Å; F442-W449 HydrophobicContact CB-CB 4.43Å; F442-W449 PolarHBondContact N-O 2.87Å; F442-W449 PolarHBondContact O-N 2.9Å; K444-W449 HydrophobicContact CB-CH2 4.19Å; K444-W449 HydrophobicContact CB-CZ3 3.69Å; F447-W449 HydrophobicContact CB-CH2 3.62Å; F447-W449 HydrophobicContact CB-CZ2 4.41Å; F447-W449 HydrophobicContact CB-CZ3 3.68Å; W449-V461 HydrophobicContact CB-CG1 4.11Å; W449-V461 HydrophobicContact CG-CG1 4.49Å; W449-V461 PolarHBondContact NE1-O 2.96Å; W449-P463 HydrophobicContact CD2-CB 4.32Å; W449-P463 HydrophobicContact CH2-CB 4.26Å; W449-P463 HydrophobicContact CZ2-CB 3.64Å; W449-P463 HydrophobicContact CZ2-CG 4.35Å
450	V	90.6	Very high	80.8	Confident	14 Å²	14	61.1 Å²	61.1	9%	0.085	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.2	-178.7	-171.4	0	0	0	0	109.3	D439 Y441 Y448 K452	D439-V450 HydrophobicContact CB-CG1 3.95Å; Y441-V450 HydrophobicContact CD1-CG1 4.41Å; Y441-V450 HydrophobicContact CD1-CG2 3.57Å; Y441-V450 HydrophobicContact CD2-CG1 4.39Å; Y441-V450 HydrophobicContact CE1-CB 4.44Å; Y441-V450 HydrophobicContact CE1-CG1 4.1Å; Y441-V450 HydrophobicContact CE1-CG2 3.48Å; Y441-V450 VanDerWaalsContact CE1-CG2 3.48Å; Y441-V450 HydrophobicContact CE2-CG1 4.06Å; Y441-V450 HydrophobicContact CG-CG2 4.31Å; Y448-V450 HydrophobicContact CD2-CG2 3.85Å; Y448-V450 HydrophobicContact CE2-CG2 3.53Å; V450-K452 HydrophobicContact CG1-CG 4.29Å
451	M	85.9	Confident	80.4	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	111.8	170.3	179.2	178.9	-68.3	0	0	109.2	W422 M425 A440 F442	W422-M451 HydrophobicContact CB-CE 4.46Å; W422-M451 HydrophobicContact CE3-CE 3.84Å; W422-M451 HydrophobicContact CE3-SD 3.88Å; W422-M451 HydrophobicContact CZ3-SD 4.07Å; M425-M451 HydrophobicContact CE-CB 4.06Å; M425-M451 HydrophobicContact CE-CE 4.22Å; M425-M451 HydrophobicContact CG-CE 3.56Å; M425-M451 HydrophobicContact SD-CB 4.27Å; M425-M451 HydrophobicContact SD-CE 4.34Å; A440-M451 HydrophobicContact CB-CB 4.34Å; A440-M451 PolarHBondContact N-O 3.37Å; A440-M451 VanDerWaalsContact N-O 3.07Å; A440-M451 PolarHBondContact O-N 3.38Å; F442-M451 HydrophobicContact CE2-CB 4.07Å; F442-M451 HydrophobicContact CE2-CE 4.29Å; F442-M451 HydrophobicContact CE2-SD 4.5Å; F442-M451 HydrophobicContact CZ-CE 4.44Å
452	K	81.3	Confident	79.8	Confident	113 Å²	113	63.8 Å²	63.8	49%	0.491	33%	0.327	S	S	.	.			trans	-88.5	157.4	176.8	-62.5	-167.6	169.6	-168.3	0	113.5	D439 V450 G454 G455 Q458	D439-K452 WeakPolarHBondContact OD1-CA 3.34Å; V450-K452 HydrophobicContact CG1-CG 4.29Å; K452-G454 PolarHBondContact O-N 3.47Å; K452-G455 PolarHBondContact O-N 3.09Å; K452-Q458 PolarHBondContact O-NE2 2.85Å
453	D	64.7	Low	79.7	Confident	142 Å²	142	66.7 Å²	66.7	76%	0.759	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	18.1	164	-54.8	-47.6	0	0	0	115.7	G455	D453-G455 PolarHBondContact O-N 3.48Å; D453-G455 VanDerWaalsContact O-N 3.1Å
454	G	59.8	Low	79.5	Confident	19 Å²	19	71.2 Å²	71.2	20%	0.196	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	7.9	178.2	0	0	0	0	0	115.1	H385 K452 I456	H385-G454 PolarHBondContact CE1-N 2.94Å; H385-G454 VanDerWaalsContact NE2-CA 3.3Å; H385-G454 WeakPolarHBondContact NE2-CA 3.01Å; H385-G454 PolarHBondContact NE2-N 2.76Å; H385-G454 VanDerWaalsContact NE2-N 3.12Å; K452-G454 PolarHBondContact O-N 3.47Å; G454-I456 PolarHBondContact O-N 3.21Å
455	G	63.2	Low	79.4	Confident	30 Å²	30	69 Å²	69	31%	0.309	36%	0.362	S	S	.	.			trans	-79.8	108.6	179.8	0	0	0	0	0	111.7	K452 D453 N457	K452-G455 PolarHBondContact O-N 3.09Å; D453-G455 PolarHBondContact O-N 3.48Å; D453-G455 VanDerWaalsContact O-N 3.1Å; G455-N457 PolarHBondContact O-N 2.93Å
456	I	64.7	Low	79.5	Confident	47 Å²	47	67.9 Å²	67.9	24%	0.241	35%	0.35	C	S	.	.	S	Bend	trans	-68.3	-15.5	178.1	-72.2	178.7	0	0	0	112.8	W383 V421 W422 T423 G454	W383-I456 HydrophobicContact CH2-CD1 3.74Å; W383-I456 HydrophobicContact CH2-CG1 3.86Å; W383-I456 HydrophobicContact CZ2-CG1 4.32Å; W383-I456 HydrophobicContact CZ3-CD1 4.24Å; V421-I456 HydrophobicContact CG1-CD1 4.47Å; V421-I456 HydrophobicContact CG1-CG2 3.53Å; V421-I456 WeakPolarHBondContact O-CG2 3.23Å; W422-I456 HydrophobicContact CE3-CG1 4.2Å; W422-I456 HydrophobicContact CZ3-CD1 4.45Å; W422-I456 HydrophobicContact CZ3-CG1 4.13Å; T423-I456 WeakPolarHBondContact CB-O 3.32Å; T423-I456 PolarHBondContact N-O 3.07Å; G454-I456 PolarHBondContact O-N 3.21Å
457	N	63.5	Low	79.3	Confident	131 Å²	131	64.7 Å²	64.7	70%	0.701	34%	0.335	S	S	*	.	B	Isolated β-bridge	trans	-108.6	81	-177.4	-69.2	-11.5	0	0	0	111.8	G455	G455-N457 PolarHBondContact O-N 2.93Å
458	Q	67.8	Low	79.1	Confident	44 Å²	44	63.6 Å²	63.6	21%	0.206	33%	0.332	C	S	.	.			trans	-113.5	105.7	173	-64.7	-174.2	6.7	0	0	109.6	T423 G424 K452 Y460 V461	T423-Q458 CarbonylContact C-O 3.58Å; T423-Q458 PolarHBondContact O-N 2.97Å; G424-Q458 WeakPolarHBondContact CA-O 3.24Å; G424-Q458 PolarHBondContact N-O 3.02Å; K452-Q458 PolarHBondContact O-NE2 2.85Å; Q458-Y460 PolarHBondContact O-N 3.26Å; Q458-V461 HydrophobicContact CB-CG2 3.73Å; Q458-V461 VanDerWaalsContact OE1-CG2 3.3Å
459	E	61.4	Low	78.7	Confident	193 Å²	193	66.8 Å²	66.8	90%	0.902	35%	0.35	S	S	*	.	S	Bend	trans	-61.4	-29.4	-172.9	-72.4	-174.7	166.3	0	0	113.6
460	Y	70.7	Confident	78.5	Confident	183 Å²	183	65.6 Å²	65.6	72%	0.718	35%	0.346	S	S	*	.			trans	-146.9	121.9	176	-170	-98.4	0	0	0	112.2	Q458 S462	Q458-Y460 PolarHBondContact O-N 3.26Å; Y460-S462 WeakPolarHBondContact CE1-OG 3.33Å
461	V	80.3	Confident	78.4	Confident	22 Å²	22	65 Å²	65	13%	0.133	34%	0.342	C	S	.	.			trans	-124.9	119.5	172.3	-177.8	0	0	0	0	108.7	M425 W449 Q458	M425-V461 HydrophobicContact CE-CB 3.76Å; M425-V461 HydrophobicContact CE-CG1 3.92Å; M425-V461 HydrophobicContact CE-CG2 3.49Å; M425-V461 VanDerWaalsContact CE-CG2 3.49Å; W449-V461 HydrophobicContact CB-CG1 4.11Å; W449-V461 HydrophobicContact CG-CG1 4.49Å; W449-V461 PolarHBondContact NE1-O 2.96Å; Q458-V461 HydrophobicContact CB-CG2 3.73Å; Q458-V461 VanDerWaalsContact OE1-CG2 3.3Å
462	S	82.1	Confident	78.3	Confident	70 Å²	70	71.9 Å²	71.9	49%	0.49	37%	0.368	S	S	.	.			trans	-71	133.1	178.9	-57.5	0	0	0	0	111	Y460	Y460-S462 WeakPolarHBondContact CE1-OG 3.33Å
463	P	90.8	Very high	78.4	Confident	62 Å²	62	67.3 Å²	67.3	40%	0.403	35%	0.35	S	S	.	.			trans	-66	148.6	172.2	25.8	-31.9	0	0	0	111.2	F447 W449	F447-P463 HydrophobicContact CB-CB 3.99Å; F447-P463 HydrophobicContact CD1-CB 4.02Å; F447-P463 HydrophobicContact CG-CB 4.15Å; W449-P463 HydrophobicContact CD2-CB 4.32Å; W449-P463 HydrophobicContact CH2-CB 4.26Å; W449-P463 HydrophobicContact CZ2-CB 3.64Å; W449-P463 HydrophobicContact CZ2-CG 4.35Å
464	K	90.5	Very high	79.2	Confident	99 Å²	99	65.4 Å²	65.4	43%	0.43	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	152.9	172.5	-65.6	-178.8	-177.5	-179.9	0	110	F447 Y448 T466	F447-K464 CarbonylContact C-O 3.4Å; F447-K464 WeakPolarHBondContact CA-O 3.31Å; Y448-K464 HydrophobicContact CD1-CB 3.87Å; Y448-K464 WeakPolarHBondContact CD1-O 3.47Å; Y448-K464 HydrophobicContact CD2-CB 4.49Å; Y448-K464 HydrophobicContact CE1-CB 3.31Å; Y448-K464 HydrophobicContact CE1-CD 4.37Å; Y448-K464 HydrophobicContact CE1-CG 4.5Å; Y448-K464 HydrophobicContact CE2-CB 4.04Å; Y448-K464 HydrophobicContact CE2-CD 3.91Å; Y448-K464 HydrophobicContact CG-CB 4.42Å; Y448-K464 VanDerWaalsContact CZ-CB 3.41Å; Y448-K464 PolarHBondContact N-O 3.36Å; Y448-K464 PolarHBondContact O-N 2.96Å; Y448-K464 WeakPolarHBondContact OH-CD 3.24Å; K464-T466 PolarHBondContact O-N 2.88Å
465	A	90.9	Very high	79.6	Confident	31 Å²	31	68.5 Å²	68.5	26%	0.256	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	117.5	-174.9	0	0	0	0	0	111.2	G467 M468 D469	A465-G467 PolarHBondContact O-N 3.03Å; A465-M468 HydrophobicContact CB-CB 4.03Å; A465-M468 HydrophobicContact CB-CG 4.06Å; A465-M468 HydrophobicContact CB-SD 4.13Å; A465-M468 PolarHBondContact O-N 3.12Å; A465-D469 PolarHBondContact O-N 3.33Å; A465-D469 VanDerWaalsContact O-N 3.1Å
466	T	90.9	Very high	79.5	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.006	38%	0.38	C	S	.	.	H	α-helix	trans	-61.5	-48.5	-178.3	-58.4	0	0	0	0	111	F276 F288 F443 D446 F447 K464 M468 W470	F276-T466 HydrophobicContact CD2-CG2 4.35Å; F276-T466 HydrophobicContact CE2-CG2 3.97Å; F288-T466 HydrophobicContact CD1-CG2 4.46Å; F288-T466 HydrophobicContact CE1-CG2 3.9Å; F443-T466 HydrophobicContact CD1-CG2 4.04Å; F443-T466 HydrophobicContact CE1-CG2 4.06Å; D446-T466 PolarHBondContact O-N 3.2Å; D446-T466 PolarHBondContact O-OG1 3.1Å; F447-T466 PolarHBondContact O-OG1 2.93Å; K464-T466 PolarHBondContact O-N 2.88Å; T466-M468 VanDerWaalsContact C-N 3.31Å; T466-M468 PolarHBondContact O-N 3.28Å; T466-W470 WeakPolarHBondContact O-CB 3.44Å; T466-W470 PolarHBondContact O-N 2.97Å
467	G	87.8	Confident	78.8	Confident	9 Å²	9	74.9 Å²	74.9	9%	0.093	40%	0.403	C	S	.	.	H	α-helix	trans	-58.9	-39.9	-179.6	0	0	0	0	0	113.4	A465 L471 R472 C473	A465-G467 PolarHBondContact O-N 3.03Å; G467-L471 CarbonylContact O-C 3.58Å; G467-L471 WeakPolarHBondContact O-CA 3.44Å; G467-L471 WeakPolarHBondContact O-CB 3.31Å; G467-L471 PolarHBondContact O-N 2.76Å; G467-R472 PolarHBondContact O-N 3.43Å; G467-R472 VanDerWaalsContact O-N 3.13Å; G467-C473 VanDerWaalsContact O-CB 3.25Å; G467-C473 WeakPolarHBondContact O-CB 3.41Å; G467-C473 PolarHBondContact O-N 3.02Å; G467-C473 PolarHBondContact O-SG 3Å
468	M	87.5	Confident	77.8	Confident	71 Å²	71	74.7 Å²	74.7	35%	0.35	41%	0.409	S	S	.	.	H	α-helix	trans	-72.6	-51.8	-178.8	-70.6	-176.4	56	0	0	111.8	A465 T466 S475	A465-M468 HydrophobicContact CB-CB 4.03Å; A465-M468 HydrophobicContact CB-CG 4.06Å; A465-M468 HydrophobicContact CB-SD 4.13Å; A465-M468 PolarHBondContact O-N 3.12Å; T466-M468 VanDerWaalsContact C-N 3.31Å; T466-M468 PolarHBondContact O-N 3.28Å; M468-S475 VanDerWaalsContact CE-OG 3.24Å; M468-S475 WeakPolarHBondContact CE-OG 3.31Å
469	D	86.4	Confident	76.5	Confident	80 Å²	80	79 Å²	79	43%	0.428	44%	0.439	S	S	.	.	H	α-helix	trans	-79.3	-36.9	-169.1	-67.9	-8.9	0	0	0	112.4	Y448 A465	Y448-D469 HydrophobicContact CE1-CB 3.88Å; Y448-D469 WeakPolarHBondContact CE1-OD2 3.31Å; Y448-D469 PolarHBondContact OH-OD2 3.41Å; A465-D469 PolarHBondContact O-N 3.33Å; A465-D469 VanDerWaalsContact O-N 3.1Å
470	W	88	Confident	75.4	Confident	15 Å²	15	74.1 Å²	74.1	6%	0.057	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-32.6	-174	-66.8	90.4	0	0	0	113.5	V286 F288 T297 I433 W435 Y441 F443 Y448 T466	V286-W470 HydrophobicContact CB-CE3 4.27Å; V286-W470 HydrophobicContact CB-CZ3 3.9Å; V286-W470 HydrophobicContact CG1-CE3 4.36Å; V286-W470 HydrophobicContact CG1-CZ3 4.17Å; V286-W470 HydrophobicContact CG2-CE3 4.29Å; V286-W470 HydrophobicContact CG2-CH2 4.01Å; V286-W470 HydrophobicContact CG2-CZ3 3.44Å; V286-W470 VanDerWaalsContact CG2-CZ3 3.44Å; F288-W470 HydrophobicContact CE1-CB 4.21Å; F288-W470 HydrophobicContact CE1-CG 4.35Å; F288-W470 HydrophobicContact CE2-CB 3.98Å; F288-W470 HydrophobicContact CE2-CD2 4.47Å; F288-W470 HydrophobicContact CE2-CE3 4.11Å; F288-W470 HydrophobicContact CE2-CG 4.47Å; F288-W470 HydrophobicContact CZ-CB 3.48Å; F288-W470 VanDerWaalsContact CZ-CB 3.48Å; F288-W470 AromaticContact CZ-CD2 3.71Å; F288-W470 HydrophobicContact CZ-CD2 3.71Å; F288-W470 AromaticContact CZ-CE3 3.73Å; F288-W470 HydrophobicContact CZ-CE3 3.73Å; F288-W470 AromaticContact CZ-CG 3.64Å; F288-W470 HydrophobicContact CZ-CG 3.64Å; T297-W470 HydrophobicContact CG2-CE3 4.43Å; T297-W470 PolarHBondContact OG1-O 2.87Å; I433-W470 HydrophobicContact CD1-CH2 4.2Å; W435-W470 HydrophobicContact CB-CH2 4.37Å; W435-W470 AromaticContact CD1-CH2 3.6Å; W435-W470 HydrophobicContact CD2-CH2 4.11Å; W435-W470 HydrophobicContact CD2-CZ3 4.36Å; W435-W470 AromaticContact CG-CH2 3.78Å; W435-W470 HydrophobicContact CG-CH2 3.78Å; W435-W470 HydrophobicContact CG-CZ3 4.48Å; W435-W470 HydrophobicContact CZ2-CZ3 4.47Å; W435-W470 AromaticContact NE1-CH2 3.81Å; Y441-W470 HydrophobicContact CD1-CH2 4.46Å; Y441-W470 AromaticContact CD1-CZ2 3.6Å; Y441-W470 HydrophobicContact CD1-CZ2 3.6Å; Y441-W470 HydrophobicContact CE1-CH2 4.43Å; Y441-W470 AromaticContact CE1-CZ2 3.71Å; Y441-W470 HydrophobicContact CE1-CZ2 3.71Å; Y441-W470 HydrophobicContact CG-CZ2 4.35Å; F443-W470 AromaticContact CE1-NE1 3.96Å; F443-W470 HydrophobicContact CZ-CZ2 4.23Å; Y448-W470 AromaticContact CD1-CD1 3.85Å; Y448-W470 AromaticContact CD1-NE1 3.63Å; Y448-W470 AromaticContact CD2-NE1 3.92Å; Y448-W470 AromaticContact CE1-CD1 3.62Å; Y448-W470 AromaticContact CE1-NE1 3.41Å; Y448-W470 AromaticContact CE2-NE1 3.69Å; Y448-W470 AromaticContact CG-NE1 3.88Å; Y448-W470 AromaticContact CZ-NE1 3.44Å; T466-W470 WeakPolarHBondContact O-CB 3.44Å; T466-W470 PolarHBondContact O-N 2.97Å
471	L	87.4	Confident	73.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	9.3	-166.7	-59	173.2	0	0	0	113.3	R271 F276 F288 W295 L303 G467 C473	R271-L471 HydrophobicContact CG-CB 3.99Å; R271-L471 HydrophobicContact CG-CD1 4.32Å; R271-L471 PolarHBondContact NH1-O 2.92Å; R271-L471 WeakPolarHBondContact O-CD1 3.46Å; F276-L471 HydrophobicContact CE1-CD1 4.15Å; F276-L471 HydrophobicContact CE2-CD1 3.54Å; F276-L471 HydrophobicContact CZ-CD1 3.15Å; F288-L471 HydrophobicContact CB-CD2 4.48Å; F288-L471 HydrophobicContact CD2-CD2 3.7Å; F288-L471 HydrophobicContact CE2-CD2 4.06Å; F288-L471 HydrophobicContact CG-CD2 4.03Å; W295-L471 HydrophobicContact CB-CD2 4.11Å; L303-L471 HydrophobicContact CD1-CD2 3.91Å; G467-L471 CarbonylContact O-C 3.58Å; G467-L471 WeakPolarHBondContact O-CA 3.44Å; G467-L471 WeakPolarHBondContact O-CB 3.31Å; G467-L471 PolarHBondContact O-N 2.76Å; L471-C473 VanDerWaalsContact C-N 3.33Å; L471-C473 PolarHBondContact O-N 3.46Å
472	R	84.9	Confident	71.3	Confident	148 Å²	148	74.2 Å²	74.2	56%	0.558	46%	0.461	S	S	*	.			trans	55.2	44.8	174.7	-55	-66.7	177.3	166	-1.6	113.1	R271 G301 L303 G467	R271-R472 PolarHBondContact NH1-O 3.47Å; R271-R472 VanDerWaalsContact NH1-O 3.1Å; G301-R472 PolarHBondContact O-NH2 3.16Å; L303-R472 HydrophobicContact CB-CG 4.01Å; G467-R472 PolarHBondContact O-N 3.43Å; G467-R472 VanDerWaalsContact O-N 3.13Å
473	C	84.1	Confident	69.1	Low	16 Å²	16	79.9 Å²	79.9	11%	0.108	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-88.8	147.8	173	-67.3	0	0	0	0	111.8	C272 G467 L471	C272-C473 WeakPolarHBondContact CA-SG 3.23Å; C272-C473 HydrophobicContact CB-CB 3.73Å; C272-C473 WeakPolarHBondContact CB-SG 3.16Å; C272-C473 WeakPolarHBondContact SG-CB 3.42Å; C272-C473 CovalentContact SG-SG 2.03Å; C272-C473 PolarHBondContact SG-SG 3.29Å; G467-C473 VanDerWaalsContact O-CB 3.25Å; G467-C473 WeakPolarHBondContact O-CB 3.41Å; G467-C473 PolarHBondContact O-N 3.02Å; G467-C473 PolarHBondContact O-SG 3Å; L471-C473 VanDerWaalsContact C-N 3.33Å; L471-C473 PolarHBondContact O-N 3.46Å
474	P	79.9	Confident	66.3	Low	103 Å²	103	84.5 Å²	84.5	67%	0.669	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-63.8	150.8	175.4	27.4	-33.3	0	0	0	110.7
475	S	68.4	Low	63.6	Low	84 Å²	84	86 Å²	86	59%	0.587	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-58.7	136.4	170.9	-56	0	0	0	0	109.6	M468	M468-S475 VanDerWaalsContact CE-OG 3.24Å; M468-S475 WeakPolarHBondContact CE-OG 3.31Å
476	P	61.3	Low	60.8	Low	100 Å²	100	87.9 Å²	87.9	65%	0.649	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-55.7	140.4	173.9	22.1	-31.4	0	0	0	109.3
477	P	50.5	Low	58.3	Low	110 Å²	110	97.4 Å²	97.4	71%	0.714	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-57.1	138.4	176.9	22.1	-30.4	0	0	0	108.7	T479	P477-T479 PolarHBondContact O-N 2.93Å
478	P	42.8	Very low	56.4	Low	127 Å²	127	102.1 Å²	102.1	83%	0.825	61%	0.614	S	S	*	*			trans	-55.3	115.7	176.3	21.5	-30.4	0	0	0	107.5	A480	P478-A480 PolarHBondContact O-N 2.71Å
479	T	40.1	Very low	53.7	Low	136 Å²	136	107.7 Å²	107.7	83%	0.834	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-57.7	118.5	-179.3	-31.3	0	0	0	0	106.7	P477 A481	P477-T479 PolarHBondContact O-N 2.93Å; T479-A481 PolarHBondContact O-N 2.9Å
480	A	38.6	Very low	51.1	Low	90 Å²	90	112.5 Å²	112.5	74%	0.744	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-53.3	119.4	169.5	0	0	0	0	0	106.5	P478	P478-A480 PolarHBondContact O-N 2.71Å
481	A	32.4	Very low	48.4	Very low	81 Å²	81	117.8 Å²	117.8	67%	0.669	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-47.3	134.3	177.1	0	0	0	0	0	108.6	T479 Q483	T479-A481 PolarHBondContact O-N 2.9Å; A481-Q483 PolarHBondContact O-N 3.27Å; A481-Q483 VanDerWaalsContact O-N 3.08Å
482	P	33	Very low	45.7	Very low	125 Å²	125	125.7 Å²	125.7	81%	0.812	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-51.8	124.4	178	12.2	-22	0	0	0	109.1	N484	P482-N484 PolarHBondContact O-N 3.41Å
483	Q	35.3	Very low	43.1	Very low	190 Å²	190	124.6 Å²	124.6	89%	0.888	75%	0.748	S	S	*	*			trans	-60.8	109.1	175.4	-73.7	-175.3	-0.1	0	0	108	A481 P485	A481-Q483 PolarHBondContact O-N 3.27Å; A481-Q483 VanDerWaalsContact O-N 3.08Å; Q483-P485 WeakPolarHBondContact O-CD 3.33Å
484	N	30.8	Very low	40.5	Very low	159 Å²	159	128.5 Å²	128.5	85%	0.85	78%	0.782	S	S	*	*			trans	-60.6	120.4	170.6	-127	-11.1	0	0	0	108.3	P482 G486	P482-N484 PolarHBondContact O-N 3.41Å; N484-G486 PolarHBondContact O-N 3.41Å
485	P	34.7	Very low	38.2	Very low	130 Å²	130	132.8 Å²	132.8	84%	0.844	79%	0.79	S	S	*	*	S	Bend	trans	-78.4	97.5	177.4	30.5	-29.7	0	0	0	108.8	Q483	Q483-P485 WeakPolarHBondContact O-CD 3.33Å
486	G	32.7	Very low	36.3	Very low	71 Å²	71	135.8 Å²	135.8	73%	0.732	80%	0.8	S	S	*	*			trans	178.5	76.7	176.3	0	0	0	0	0	113.6	N484	N484-G486 PolarHBondContact O-N 3.41Å
487	K	36.8	Very low	34.8	Very low	201 Å²	201	141.6 Å²	141.6	87%	0.874	81%	0.809	S	S	*	*			trans	-58.4	176.5	169.1	-74.7	-173.8	176.7	-180	0	112.5
488	P	48.5	Very low	33.8	Very low	107 Å²	107	142 Å²	142	70%	0.695	81%	0.814	S	S	*	*				-135.9	170.7	-50.3	38.2	-22.5	0	0	0	111.2
489	K	31.9	Very low	33.3	Very low	189 Å²	189	140.7 Å²	140.7	82%	0.822	81%	0.808	S	S	*	*			trans	-168.9	108.4	130.5	-103.7	169.4	-170.5	-170.3	0	111.4
490	E	31.8	Very low	33	Very low	180 Å²	180	141.5 Å²	141.5	84%	0.841	81%	0.806	S	S	*	*			trans	59.5	103.7	139.4	-66.8	174.5	174.9	0	0	119.8
491	C	30.1	Very low	32.7	Very low	126 Å²	126	147.5 Å²	147.5	85%	0.851	81%	0.81	S	S	*	*			trans	-76.4	137.4	154.3	-67.6	0	0	0	0	110.4
492	I	32	Very low	32.9	Very low	166 Å²	166	149.6 Å²	149.6	85%	0.851	81%	0.81	S	S	*	*			trans	-146.6	106.8	132.8	-54.3	-176.7	0	0	0	108.2
493	C	29.1	Very low	33.1	Very low	126 Å²	126	149.9 Å²	149.9	85%	0.851	80%	0.804	S	S	*	*			trans	-112.5	109.6	158.9	-71	0	0	0	0	108
494	A	30.1	Very low	33.3	Very low	98 Å²	98	146.3 Å²	146.3	81%	0.81	80%	0.799	S	S	*	*			trans	-88.3	113	165.1	0	0	0	0	0	108.6
495	F	31.8	Very low	33.8	Very low	192 Å²	192	145.7 Å²	145.7	84%	0.842	80%	0.795	S	S	*	*			trans	-76.3	138.1	166.8	-105.3	-91.5	0	0	0	109.9
496	N	28.6	Very low	34.2	Very low	148 Å²	148	145.2 Å²	145.2	79%	0.791	78%	0.784	S	S	*	*				-157.2	120.8	128.7	-115.3	-22.8	0	0	0	114.9
497	R	29.9	Very low	34.7	Very low	222 Å²	222	148.6 Å²	148.6	84%	0.838	79%	0.785	S	S	*	*			trans	42.4	119.9	142.5	-78.3	-180	168.8	-172.9	-2.5	121.3
498	S	28.5	Very low	35.2	Very low	118 Å²	118	144 Å²	144	83%	0.825	77%	0.774	S	S	*	*				155.9	113.2	112	52.9	0	0	0	0	108.7
499	S	32.4	Very low	35.2	Very low	99 Å²	99	141.9 Å²	141.9	69%	0.692	77%	0.765	S	S	*	*				86.6	109.4	82.3	-174.1	0	0	0	0	114
500	L	33.8	Very low	36.1	Very low	154 Å²	154	137.4 Å²	137.4	81%	0.806	75%	0.753	S	S	*	*			trans	71.6	115.8	138	-77	165.3	0	0	0	120.9
501	R	33.5	Very low	36.8	Very low	216 Å²	216	135.9 Å²	135.9	82%	0.815	75%	0.748	S	S	*	*				105.8	139.7	111.5	-166.9	177.6	177.2	-171	0.4	117.9
502	N	35.2	Very low	37.8	Very low	125 Å²	125	136.6 Å²	136.6	67%	0.668	74%	0.743	S	S	*	*			trans	77.5	112.8	170.1	-80	5.5	0	0	0	117.2
503	D	37.3	Very low	38.8	Very low	131 Å²	131	134.7 Å²	134.7	70%	0.701	73%	0.733	S	S	*	*				-170.3	79.1	129.1	-91.3	-20.3	0	0	0	110.9
504	C	39.5	Very low	40	Very low	115 Å²	115	134 Å²	134	78%	0.777	72%	0.72	S	S	*	*			trans	-115.5	32.4	164.5	-150.2	0	0	0	0	110.6
505	L	41.6	Very low	40.9	Very low	145 Å²	145	136.5 Å²	136.5	76%	0.759	72%	0.719	S	S	*	*	S	Bend	trans	-113.4	-4.8	176	-83.9	164.1	0	0	0	113.3
506	L	43.2	Very low	41.9	Very low	120 Å²	120	130.4 Å²	130.4	63%	0.628	71%	0.711	S	S	*	*	S	Bend	trans	-92.7	-12.1	-177.7	-91.4	150.5	0	0	0	114.7
507	L	42.7	Very low	43	Very low	143 Å²	143	130.3 Å²	130.3	75%	0.749	71%	0.709	S	S	*	*	S	Bend	trans	-86.9	-15.4	179.9	-87.9	157.8	0	0	0	114.4
508	V	48	Very low	44.1	Very low	105 Å²	105	127 Å²	127	64%	0.636	71%	0.706	S	S	*	*	S	Bend	trans	-82.8	-20.4	177.4	-178.8	0	0	0	0	112
509	A	48.1	Very low	45.2	Very low	61 Å²	61	126.6 Å²	126.6	50%	0.504	70%	0.704	S	S	.	*	S	Bend	trans	-79.6	-18.8	-179.4	0	0	0	0	0	114.3
510	V	50.7	Low	46	Very low	95 Å²	95	128 Å²	128	58%	0.576	71%	0.708	S	S	*	*	S	Bend	trans	-89	-21.9	-175.8	-178.9	0	0	0	0	112.7
511	M	47.5	Very low	46.5	Very low	148 Å²	148	127.7 Å²	127.7	73%	0.729	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-14.9	179.7	-82.6	-70.5	-149.9	0	0	114.7
512	L	50.1	Low	46.8	Very low	142 Å²	142	129 Å²	129	74%	0.743	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-7.8	179.9	-79.1	167.4	0	0	0	114.4
513	I	52.9	Low	47.4	Very low	125 Å²	125	129.3 Å²	129.3	64%	0.641	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-19.4	179.9	-61.6	-179.9	0	0	0	112.1
514	I	53.9	Low	47.9	Very low	113 Å²	113	129.2 Å²	129.2	58%	0.579	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-25.2	-177.7	-61.2	178	0	0	0	112.7	G516	I514-G516 PolarHBondContact O-N 3.3Å
515	N	48.5	Very low	48.4	Very low	150 Å²	150	129.9 Å²	129.9	80%	0.802	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-0.1	178.1	-81.1	-9.4	0	0	0	115
516	G	54.2	Low	48.7	Very low	64 Å²	64	129.1 Å²	129.1	66%	0.66	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-6.1	179.2	0	0	0	0	0	115.7	I514	I514-G516 PolarHBondContact O-N 3.3Å
517	L	51.6	Low	49.1	Very low	145 Å²	145	129.6 Å²	129.6	76%	0.759	74%	0.738	S	S	*	*	S	Bend	trans	-113.2	8.5	-169.4	-94.2	153.1	0	0	0	115.1
518	I	53.4	Low	49.5	Very low	153 Å²	153	128.7 Å²	128.7	79%	0.785	74%	0.737	S	S	*	*	S	Bend	trans	-107.4	2.1	178.2	-58.3	177.7	0	0	0	112.8
519	S	51.5	Low	49.6	Very low	110 Å²	110	130.4 Å²	130.4	77%	0.769	74%	0.744	S	S	*	*	S	Bend	trans	-119.9	46.8	-179.8	-170.7	0	0	0	0	114.2
520	V	48.9	Very low	49.7	Very low	128 Å²	128	135.8 Å²	135.8	78%	0.776	76%	0.763	S	S	*	*	S	Bend	trans	-149.9	122.7	155.9	-175.9	0	0	0	0	108.5
521	N	44	Very low	49.7	Very low	148 Å²	148	139.2 Å²	139.2	79%	0.791	78%	0.778	S	S	*	*			trans	87.6	65.6	175.3	-62.2	-9.3	0	0	0	118.7
522	N	39.4	Very low	49.9	Very low	244 Å²	244	138.4 Å²	138.4	100%	1.305	78%	0.783	S	S	*	*				176.7	0	104.1	-105.8	-11.1	0	0	0	110.7

Retrieved 522 of 522 residues in 102.2 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).