G4VB58_SCHMA Loading...

alpha-1,6-mannosyl-glycoprotein 6-beta-N-acetylglucosaminyltransferase

AlphaFold DB , UniProt , Accession G4VB58, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 856 aa.

						>G4VB58_SCHMA|G4VB58
MKRYLKKARVLCIVFFVVILFGLCWVVNNGNHSLVKYRADIINLSRKYVKALAETQNVGFDDPYSAELTGYDLKKTLAVILDDMLRRIDQIELKLSNLTNSSPQLNKHYSESINSGPIIPHTARGLKMSSNEKSSYKKINYLDLLQDAQENCVVQAKEIPLYPECFSKIEWLRTRWETHSCYVELGIDGSECSFVRYLSEIESFCPQLDSRKFMKRYSEAQITRDLNGLLRILSSVKNHLSSKSFMITRLKRMWPDWLAGILHYINGVNFPQANYSSLDHCKFCSPDDIACADICQSTKLIGQPFLFGRPKLNILLHMGFLSNDFYKKSFESYISKGGPLGELVQWTDLIAALYILGHKITITYEAAEAKLNLLHPYSSSVPCQVENNKYDLIYTDITGFRNLKKVNIRTPLCKFRILDTFGTEALYNRKKELWSGLHLNLQQFYTFFPHSPDNTFLGFVAEILAPKYKVSRRSSSKPVALVYGKESYMWANKTNYLRILSDYFEIHGNVLDKVENLPKFVHIHQIQYGQPYLELMSKAQIMIGLGFPYEGPAPLEAIANGLIFLNPRFNPPHSRSNQVFFSDKPTSRSLTSQHPYIENHIGEPYSYLVDRDNETQIRLTIERILTNISNGTYRPHEYSPWGFLERLNAYLTRQNICATPFYKNLIQSPLPIAKADAPPKFNYLDVPGIAVSWPPASSLKIVLGSRGKSCADVCMNLGTSEHTLLLPSNISAYSILNKTQHQQIQNGYIYYRSIHSTPSPNLSYLYTFRCSPEHFPSVNHRLNLQYLGVSCPNITYTTSPMAPYWDDAARSCVFQASNEWFDCTASGSLGGSDGFSRFCPCRDALPNQISLCSNCL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52	Low	62	Low	204 Å²	204	156 Å²	156	100%	1.005	71%	0.712	S	S	*	*				0	-49.2	0	-85.4	179.4	-101.1	0	0	115.3	R3 Y4 L5	M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.23Å; M1-Y4 PolarHBondContact O-N 3.06Å; M1-Y4 VanDerWaalsContact O-N 3.13Å; M1-L5 PolarHBondContact O-N 2.74Å
2	K	58.3	Low	62.9	Low	194 Å²	194	150 Å²	150	84%	0.843	70%	0.7	S	S	*	*	H	α-helix	trans	-59.5	-27.9	-176.9	-76.6	-177.9	177.8	177.2	0	116.4
3	R	55.8	Low	64	Low	227 Å²	227	146.9 Å²	146.9	86%	0.857	69%	0.69	S	S	*	*	H	α-helix	trans	-75	-28.9	175.3	-93.1	-177.9	175.4	178	-1.2	114.1	M1 K7	M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.23Å; R3-K7 PolarHBondContact O-N 3.03Å
4	Y	54.8	Low	65	Low	194 Å²	194	142.4 Å²	142.4	76%	0.761	68%	0.677	S	S	*	*	H	α-helix	trans	-76.6	-36.2	177.8	-96.8	-89.9	0	0	0	111.9	M1 K6 K7 A8	M1-Y4 PolarHBondContact O-N 3.06Å; M1-Y4 VanDerWaalsContact O-N 3.13Å; Y4-K6 PolarHBondContact O-N 3.45Å; Y4-K7 PolarHBondContact O-N 2.98Å; Y4-A8 WeakPolarHBondContact O-CB 3.41Å; Y4-A8 PolarHBondContact O-N 3.22Å
5	L	58.2	Low	65.8	Low	115 Å²	115	142.1 Å²	142.1	60%	0.602	67%	0.672	S	S	*	*	H	α-helix	trans	-66.8	-32.1	175.2	-94.3	98.9	0	0	0	113.9	M1 R9	M1-L5 PolarHBondContact O-N 2.74Å; L5-R9 WeakPolarHBondContact O-CB 3.35Å; L5-R9 PolarHBondContact O-N 3.48Å
6	K	62.2	Low	66.6	Low	166 Å²	166	142.1 Å²	142.1	72%	0.722	67%	0.669	S	S	*	*	H	α-helix	trans	-69.8	-40.6	175	-87.4	-171	174.8	-173.8	0	112.1	Y4 V10	Y4-K6 PolarHBondContact O-N 3.45Å; K6-V10 WeakPolarHBondContact O-CG2 3.44Å; K6-V10 PolarHBondContact O-N 3.12Å; K6-V10 VanDerWaalsContact O-N 3.11Å
7	K	61	Low	67.3	Low	163 Å²	163	137.6 Å²	137.6	71%	0.709	65%	0.653	S	S	*	*	H	α-helix	trans	-68.7	-38	175.1	-75	-170.2	174.8	-172.7	0	112.1	R3 Y4 V10 L11	R3-K7 PolarHBondContact O-N 3.03Å; Y4-K7 PolarHBondContact O-N 2.98Å; K7-V10 PolarHBondContact O-N 3.04Å; K7-L11 WeakPolarHBondContact O-CB 3.41Å; K7-L11 PolarHBondContact O-N 2.83Å
8	A	65.8	Low	67.9	Low	53 Å²	53	135.3 Å²	135.3	44%	0.438	65%	0.649	S	S	.	*	H	α-helix	trans	-66.7	-38.8	175.1	0	0	0	0	0	112.7	Y4 L11 C12	Y4-A8 WeakPolarHBondContact O-CB 3.41Å; Y4-A8 PolarHBondContact O-N 3.22Å; A8-L11 PolarHBondContact O-N 2.86Å; A8-C12 WeakPolarHBondContact O-CB 3.12Å; A8-C12 PolarHBondContact O-N 3.04Å; A8-C12 PolarHBondContact O-SG 3.18Å; A8-C12 VanDerWaalsContact O-SG 3.33Å
9	R	67.8	Low	68.3	Low	187 Å²	187	132.5 Å²	132.5	71%	0.706	64%	0.637	S	S	*	*	H	α-helix	trans	-65.2	-41	173.8	-88.8	-176	166.4	174.2	-3.3	112.8	L5 C12 I13	L5-R9 WeakPolarHBondContact O-CB 3.35Å; L5-R9 PolarHBondContact O-N 3.48Å; R9-C12 PolarHBondContact O-N 3.42Å; R9-I13 WeakPolarHBondContact O-CB 3.45Å; R9-I13 WeakPolarHBondContact O-CD1 3.45Å; R9-I13 WeakPolarHBondContact O-CG1 3.23Å; R9-I13 PolarHBondContact O-N 3.44Å
10	V	74.3	Confident	68.5	Low	91 Å²	91	130.6 Å²	130.6	55%	0.552	63%	0.629	S	S	*	*	H	α-helix	trans	-67.3	-41.2	175.9	175.2	0	0	0	0	110.7	K6 K7 I13 V14	K6-V10 WeakPolarHBondContact O-CG2 3.44Å; K6-V10 PolarHBondContact O-N 3.12Å; K6-V10 VanDerWaalsContact O-N 3.11Å; K7-V10 PolarHBondContact O-N 3.04Å; V10-I13 PolarHBondContact O-N 2.8Å; V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 WeakPolarHBondContact O-CB 3.39Å; V10-V14 VanDerWaalsContact O-CG2 3.27Å; V10-V14 WeakPolarHBondContact O-CG2 3.29Å; V10-V14 PolarHBondContact O-N 2.94Å
11	L	71.5	Confident	68.7	Low	122 Å²	122	131.8 Å²	131.8	64%	0.639	63%	0.632	S	S	*	*	H	α-helix	trans	-62.6	-43.9	174.6	-120.5	91.7	0	0	0	111.8	K7 A8 V14 F15	K7-L11 WeakPolarHBondContact O-CB 3.41Å; K7-L11 PolarHBondContact O-N 2.83Å; A8-L11 PolarHBondContact O-N 2.86Å; L11-V14 PolarHBondContact O-N 3.3Å; L11-F15 WeakPolarHBondContact O-CB 3.43Å; L11-F15 PolarHBondContact O-N 3.32Å
12	C	73.6	Confident	69.5	Low	84 Å²	84	123.5 Å²	123.5	57%	0.568	60%	0.599	S	S	*	*	H	α-helix	trans	-64.9	-38.9	177.5	-73.9	0	0	0	0	112.3	A8 R9 F15 F16	A8-C12 WeakPolarHBondContact O-CB 3.12Å; A8-C12 PolarHBondContact O-N 3.04Å; A8-C12 PolarHBondContact O-SG 3.18Å; A8-C12 VanDerWaalsContact O-SG 3.33Å; R9-C12 PolarHBondContact O-N 3.42Å; C12-F15 PolarHBondContact O-N 3.44Å; C12-F16 WeakPolarHBondContact O-CB 3.4Å; C12-F16 PolarHBondContact O-N 3.18Å
13	I	76.5	Confident	69.9	Low	110 Å²	110	119 Å²	119	56%	0.564	58%	0.583	S	S	*	*	H	α-helix	trans	-66.9	-43.4	176.5	-68.2	164.1	0	0	0	110.4	R9 V10 F15 F16 V17	R9-I13 WeakPolarHBondContact O-CB 3.45Å; R9-I13 WeakPolarHBondContact O-CD1 3.45Å; R9-I13 WeakPolarHBondContact O-CG1 3.23Å; R9-I13 PolarHBondContact O-N 3.44Å; V10-I13 PolarHBondContact O-N 2.8Å; I13-F15 VanDerWaalsContact C-N 3.35Å; I13-F15 PolarHBondContact O-N 2.64Å; I13-F16 PolarHBondContact O-N 3.36Å; I13-V17 HydrophobicContact CG2-CG2 4.35Å; I13-V17 WeakPolarHBondContact O-CB 3.44Å; I13-V17 VanDerWaalsContact O-CG2 3.23Å; I13-V17 WeakPolarHBondContact O-CG2 3.2Å; I13-V17 PolarHBondContact O-N 3.19Å
14	V	77.7	Confident	70.1	Confident	84 Å²	84	111.9 Å²	111.9	51%	0.509	57%	0.567	S	S	.	*	H	α-helix	trans	-63.8	-41.3	175.8	174.1	0	0	0	0	110.8	V10 L11 V17 V18	V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 WeakPolarHBondContact O-CB 3.39Å; V10-V14 VanDerWaalsContact O-CG2 3.27Å; V10-V14 WeakPolarHBondContact O-CG2 3.29Å; V10-V14 PolarHBondContact O-N 2.94Å; L11-V14 PolarHBondContact O-N 3.3Å; V14-V17 PolarHBondContact O-N 3.02Å; V14-V18 HydrophobicContact CG1-CG2 4.35Å; V14-V18 WeakPolarHBondContact O-CB 3.36Å; V14-V18 VanDerWaalsContact O-CG2 3.23Å; V14-V18 WeakPolarHBondContact O-CG2 3.37Å; V14-V18 PolarHBondContact O-N 2.85Å
15	F	77.9	Confident	70.3	Confident	138 Å²	138	111.4 Å²	111.4	61%	0.605	56%	0.564	S	S	*	*	H	α-helix	trans	-64.9	-40.6	175.9	-127.4	-93.1	0	0	0	112	L11 C12 I13 V18 I19	L11-F15 WeakPolarHBondContact O-CB 3.43Å; L11-F15 PolarHBondContact O-N 3.32Å; C12-F15 PolarHBondContact O-N 3.44Å; I13-F15 VanDerWaalsContact C-N 3.35Å; I13-F15 PolarHBondContact O-N 2.64Å; F15-V18 PolarHBondContact O-N 3.13Å; F15-I19 HydrophobicContact CD1-CD1 3.73Å; F15-I19 HydrophobicContact CD1-CG1 4.32Å; F15-I19 HydrophobicContact CE1-CD1 4.23Å; F15-I19 WeakPolarHBondContact O-CB 3.45Å; F15-I19 VanDerWaalsContact O-CG1 3.24Å; F15-I19 WeakPolarHBondContact O-CG1 3.12Å; F15-I19 PolarHBondContact O-N 3.37Å
16	F	78.3	Confident	70.3	Confident	142 Å²	142	110.9 Å²	110.9	62%	0.623	57%	0.566	S	S	*	*	H	α-helix	trans	-68.1	-37.4	177	-129.9	-91.1	0	0	0	111.9	C12 I13 I19 L20	C12-F16 WeakPolarHBondContact O-CB 3.4Å; C12-F16 PolarHBondContact O-N 3.18Å; I13-F16 PolarHBondContact O-N 3.36Å; F16-I19 PolarHBondContact O-N 2.89Å; F16-L20 HydrophobicContact CD1-CD1 3.79Å; F16-L20 HydrophobicContact CD1-CG 4.43Å; F16-L20 HydrophobicContact CE1-CD1 4.35Å; F16-L20 VanDerWaalsContact O-CB 3.26Å; F16-L20 WeakPolarHBondContact O-CB 3.36Å; F16-L20 WeakPolarHBondContact O-CG 3.45Å; F16-L20 PolarHBondContact O-N 3.25Å
17	V	78.1	Confident	70.1	Confident	66 Å²	66	108.5 Å²	108.5	40%	0.4	57%	0.565	S	S	.	*	H	α-helix	trans	-70.2	-39.1	175.6	173.1	0	0	0	0	110.9	I13 V14 L20 F21	I13-V17 HydrophobicContact CG2-CG2 4.35Å; I13-V17 WeakPolarHBondContact O-CB 3.44Å; I13-V17 VanDerWaalsContact O-CG2 3.23Å; I13-V17 WeakPolarHBondContact O-CG2 3.2Å; I13-V17 PolarHBondContact O-N 3.19Å; V14-V17 PolarHBondContact O-N 3.02Å; V17-L20 PolarHBondContact O-N 2.94Å; V17-F21 HydrophobicContact CG1-CD2 3.75Å; V17-F21 HydrophobicContact CG1-CE2 4.07Å; V17-F21 WeakPolarHBondContact O-CB 3.34Å; V17-F21 WeakPolarHBondContact O-CD2 3.16Å; V17-F21 PolarHBondContact O-N 3.22Å
18	V	77.7	Confident	69.8	Low	95 Å²	95	107.9 Å²	107.9	58%	0.576	57%	0.57	S	S	*	*	H	α-helix	trans	-68.2	-36.8	174.6	172.1	0	0	0	0	111.5	V14 F15 G22	V14-V18 HydrophobicContact CG1-CG2 4.35Å; V14-V18 WeakPolarHBondContact O-CB 3.36Å; V14-V18 VanDerWaalsContact O-CG2 3.23Å; V14-V18 WeakPolarHBondContact O-CG2 3.37Å; V14-V18 PolarHBondContact O-N 2.85Å; F15-V18 PolarHBondContact O-N 3.13Å; V18-G22 WeakPolarHBondContact O-CA 3.4Å; V18-G22 PolarHBondContact O-N 3.09Å
19	I	77.3	Confident	68.9	Low	83 Å²	83	108.6 Å²	108.6	43%	0.426	57%	0.566	S	S	.	*	H	α-helix	trans	-70.4	-40.2	173.8	-71	171.4	0	0	0	110.9	F15 F16 G22 L23	F15-I19 HydrophobicContact CD1-CD1 3.73Å; F15-I19 HydrophobicContact CD1-CG1 4.32Å; F15-I19 HydrophobicContact CE1-CD1 4.23Å; F15-I19 WeakPolarHBondContact O-CB 3.45Å; F15-I19 VanDerWaalsContact O-CG1 3.24Å; F15-I19 WeakPolarHBondContact O-CG1 3.12Å; F15-I19 PolarHBondContact O-N 3.37Å; F16-I19 PolarHBondContact O-N 2.89Å; I19-G22 PolarHBondContact O-N 3.21Å; I19-L23 HydrophobicContact CG2-CD1 3.54Å; I19-L23 HydrophobicContact CG2-CG 4.18Å; I19-L23 WeakPolarHBondContact O-CB 3.31Å; I19-L23 VanDerWaalsContact O-CG 3.26Å; I19-L23 WeakPolarHBondContact O-CG 3.32Å; I19-L23 PolarHBondContact O-N 3.45Å
20	L	72.3	Confident	67.5	Low	93 Å²	93	102.5 Å²	102.5	49%	0.487	56%	0.561	S	S	.	*	H	α-helix	trans	-67.7	-40.4	174.9	-87.6	159.4	0	0	0	112	F16 V17 C24	F16-L20 HydrophobicContact CD1-CD1 3.79Å; F16-L20 HydrophobicContact CD1-CG 4.43Å; F16-L20 HydrophobicContact CE1-CD1 4.35Å; F16-L20 VanDerWaalsContact O-CB 3.26Å; F16-L20 WeakPolarHBondContact O-CB 3.36Å; F16-L20 WeakPolarHBondContact O-CG 3.45Å; F16-L20 PolarHBondContact O-N 3.25Å; V17-L20 PolarHBondContact O-N 2.94Å; L20-C24 WeakPolarHBondContact O-CB 3.38Å; L20-C24 PolarHBondContact O-N 2.75Å; L20-C24 PolarHBondContact O-SG 3.33Å; L20-C24 VanDerWaalsContact O-SG 3.33Å
21	F	71.3	Confident	66.1	Low	157 Å²	157	105.5 Å²	105.5	69%	0.689	57%	0.574	S	S	*	*	H	α-helix	trans	-68.5	-36.7	172.3	-95.7	-85.9	0	0	0	111.6	V17 W25	V17-F21 HydrophobicContact CG1-CD2 3.75Å; V17-F21 HydrophobicContact CG1-CE2 4.07Å; V17-F21 WeakPolarHBondContact O-CB 3.34Å; V17-F21 WeakPolarHBondContact O-CD2 3.16Å; V17-F21 PolarHBondContact O-N 3.22Å; F21-W25 WeakPolarHBondContact O-CB 3.49Å; F21-W25 PolarHBondContact O-N 3.17Å
22	G	69.7	Low	64.7	Low	29 Å²	29	106.2 Å²	106.2	30%	0.299	57%	0.574	S	S	.	*	H	α-helix	trans	-67.9	-42.4	175.2	0	0	0	0	0	112.6	V18 I19 W25 V26	V18-G22 WeakPolarHBondContact O-CA 3.4Å; V18-G22 PolarHBondContact O-N 3.09Å; I19-G22 PolarHBondContact O-N 3.21Å; G22-W25 PolarHBondContact O-N 2.86Å; G22-V26 VanDerWaalsContact O-CB 3.32Å; G22-V26 WeakPolarHBondContact O-CB 3.41Å; G22-V26 WeakPolarHBondContact O-CG2 3.47Å; G22-V26 PolarHBondContact O-N 3.34Å
23	L	65.2	Low	63.8	Low	99 Å²	99	105.3 Å²	105.3	52%	0.518	57%	0.568	S	S	.	*	H	α-helix	trans	-72.5	-39.1	175.9	-73.6	167.9	0	0	0	111.3	I19 W25 V26 V27	I19-L23 HydrophobicContact CG2-CD1 3.54Å; I19-L23 HydrophobicContact CG2-CG 4.18Å; I19-L23 WeakPolarHBondContact O-CB 3.31Å; I19-L23 VanDerWaalsContact O-CG 3.26Å; I19-L23 WeakPolarHBondContact O-CG 3.32Å; I19-L23 PolarHBondContact O-N 3.45Å; L23-W25 VanDerWaalsContact C-N 3.33Å; L23-V26 PolarHBondContact O-N 2.89Å; L23-V27 WeakPolarHBondContact O-CB 3.39Å; L23-V27 WeakPolarHBondContact O-CG2 3.46Å; L23-V27 PolarHBondContact O-N 2.69Å
24	C	60.8	Low	62.4	Low	78 Å²	78	105.6 Å²	105.6	53%	0.527	57%	0.571	S	S	.	*	H	α-helix	trans	-65.1	-36.1	169.9	-77.6	0	0	0	0	111.3	L20 N28	L20-C24 WeakPolarHBondContact O-CB 3.38Å; L20-C24 PolarHBondContact O-N 2.75Å; L20-C24 PolarHBondContact O-SG 3.33Å; L20-C24 VanDerWaalsContact O-SG 3.33Å; C24-N28 WeakPolarHBondContact O-CB 3.25Å; C24-N28 PolarHBondContact O-N 3.49Å
25	W	58.5	Low	61.1	Low	184 Å²	184	106.4 Å²	106.4	70%	0.697	58%	0.575	S	S	*	*	H	α-helix	trans	-71.6	-35.9	176.4	-161.8	43.4	0	0	0	112.1	F21 G22 L23 N29	F21-W25 WeakPolarHBondContact O-CB 3.49Å; F21-W25 PolarHBondContact O-N 3.17Å; G22-W25 PolarHBondContact O-N 2.86Å; L23-W25 VanDerWaalsContact C-N 3.33Å; W25-N29 PolarHBondContact NE1-ND2 3.21Å; W25-N29 VanDerWaalsContact O-CB 3.26Å; W25-N29 WeakPolarHBondContact O-CB 3.45Å; W25-N29 PolarHBondContact O-N 2.87Å; W25-N29 VanDerWaalsContact O-N 3.1Å
26	V	59.5	Low	60.2	Low	104 Å²	104	106.7 Å²	106.7	63%	0.63	58%	0.577	S	S	*	*	H	α-helix	trans	-74.1	-35	176.2	169.5	0	0	0	0	112	G22 L23	G22-V26 VanDerWaalsContact O-CB 3.32Å; G22-V26 WeakPolarHBondContact O-CB 3.41Å; G22-V26 WeakPolarHBondContact O-CG2 3.47Å; G22-V26 PolarHBondContact O-N 3.34Å; L23-V26 PolarHBondContact O-N 2.89Å
27	V	58.2	Low	59.3	Low	117 Å²	117	107.3 Å²	107.3	71%	0.709	58%	0.576	S	S	*	*	H	α-helix	trans	-81.5	-31.3	178.6	176.1	0	0	0	0	111.9	L23	L23-V27 WeakPolarHBondContact O-CB 3.39Å; L23-V27 WeakPolarHBondContact O-CG2 3.46Å; L23-V27 PolarHBondContact O-N 2.69Å
28	N	53.4	Low	58	Low	150 Å²	150	112.5 Å²	112.5	80%	0.802	59%	0.588	S	S	*	*	H	α-helix	trans	-88.8	-11.9	176.8	-119.5	5.5	0	0	0	114.8	C24	C24-N28 WeakPolarHBondContact O-CB 3.25Å; C24-N28 PolarHBondContact O-N 3.49Å
29	N	46.8	Very low	57.4	Low	68 Å²	68	110.6 Å²	110.6	36%	0.364	58%	0.583	S	S	.	*	S	Bend	trans	-106.4	16.6	174	-81.4	-27.3	0	0	0	114.5	W25 N31 H32	W25-N29 PolarHBondContact NE1-ND2 3.21Å; W25-N29 VanDerWaalsContact O-CB 3.26Å; W25-N29 WeakPolarHBondContact O-CB 3.45Å; W25-N29 PolarHBondContact O-N 2.87Å; W25-N29 VanDerWaalsContact O-N 3.1Å; N29-N31 PolarHBondContact O-N 3.27Å; N29-H32 PolarHBondContact O-N 3.35Å
30	G	39.7	Very low	57.1	Low	59 Å²	59	110.1 Å²	110.1	61%	0.608	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-4.4	-178.5	0	0	0	0	0	116.6
31	N	43.9	Very low	56.8	Low	154 Å²	154	110.9 Å²	110.9	82%	0.824	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	2.2	174.7	-107.6	-15.8	0	0	0	114.5	N29	N29-N31 PolarHBondContact O-N 3.27Å
32	H	43	Very low	56.3	Low	137 Å²	137	108.1 Å²	108.1	63%	0.634	58%	0.576	S	S	*	*	S	Bend	trans	-104	-3.1	-173.8	-112.6	-76.1	0	0	0	114.9	N29	N29-H32 PolarHBondContact O-N 3.35Å
33	S	53.7	Low	56.3	Low	64 Å²	64	110.8 Å²	110.8	45%	0.448	58%	0.583	S	S	.	*	H	α-helix	trans	-81.8	-37.4	-179.5	61.1	0	0	0	0	113.1	V35 K36 Y37	S33-V35 PolarHBondContact O-N 3.24Å; S33-K36 PolarHBondContact O-N 3.46Å; S33-Y37 WeakPolarHBondContact O-CD2 3.39Å; S33-Y37 PolarHBondContact O-N 3.07Å
34	L	47	Very low	56.6	Low	117 Å²	117	112.1 Å²	112.1	61%	0.613	59%	0.59	S	S	*	*	H	α-helix	trans	-70.2	-34.8	-175.2	-160.7	75.4	0	0	0	113.4	R38	L34-R38 WeakPolarHBondContact O-CB 3.31Å; L34-R38 PolarHBondContact O-N 3.3Å
35	V	51.6	Low	56.6	Low	100 Å²	100	111.3 Å²	111.3	61%	0.606	59%	0.585	S	S	*	*	H	α-helix	trans	-70.7	-38.6	177.2	-179.9	0	0	0	0	111	S33 R38 A39	S33-V35 PolarHBondContact O-N 3.24Å; V35-R38 PolarHBondContact O-N 3.11Å; V35-A39 PolarHBondContact O-N 3.3Å
36	K	58.8	Low	57	Low	145 Å²	145	111.1 Å²	111.1	63%	0.63	59%	0.585	S	S	*	*	H	α-helix	trans	-67.9	-43.4	176.4	-165.3	176.9	-179.9	-179.3	0	111.3	S33 R38 A39 D40	S33-K36 PolarHBondContact O-N 3.46Å; K36-R38 PolarHBondContact O-N 3.28Å; K36-A39 PolarHBondContact O-N 2.96Å; K36-D40 WeakPolarHBondContact O-CB 3.48Å; K36-D40 PolarHBondContact O-N 3.11Å
37	Y	57.9	Low	57.5	Low	155 Å²	155	113.2 Å²	113.2	61%	0.608	59%	0.585	S	S	*	*	H	α-helix	trans	-64.6	-37.1	173.6	-70.3	-57	0	0	0	112.7	S33 D40 I41	S33-Y37 WeakPolarHBondContact O-CD2 3.39Å; S33-Y37 PolarHBondContact O-N 3.07Å; Y37-D40 PolarHBondContact O-N 2.87Å; Y37-I41 WeakPolarHBondContact O-CB 3.42Å; Y37-I41 WeakPolarHBondContact O-CD1 3.29Å; Y37-I41 WeakPolarHBondContact O-CG1 3.4Å; Y37-I41 PolarHBondContact O-N 3.48Å
38	R	52.4	Low	57.8	Low	175 Å²	175	114.8 Å²	114.8	66%	0.66	58%	0.579	S	S	*	*	H	α-helix	trans	-61.1	-45.3	171.7	-90.4	-176.2	171.3	176.6	-1.1	112.2	L34 V35 K36 I41 I42	L34-R38 WeakPolarHBondContact O-CB 3.31Å; L34-R38 PolarHBondContact O-N 3.3Å; V35-R38 PolarHBondContact O-N 3.11Å; K36-R38 PolarHBondContact O-N 3.28Å; R38-I41 PolarHBondContact O-N 3.22Å; R38-I42 WeakPolarHBondContact O-CB 3.46Å; R38-I42 VanDerWaalsContact O-CG1 3.25Å; R38-I42 WeakPolarHBondContact O-CG1 3.47Å; R38-I42 PolarHBondContact O-N 3.32Å
39	A	65.4	Low	58.1	Low	55 Å²	55	111.2 Å²	111.2	46%	0.455	56%	0.563	S	S	.	*	H	α-helix	trans	-64.6	-42.1	177.6	0	0	0	0	0	111.8	V35 K36 I42 N43	V35-A39 PolarHBondContact O-N 3.3Å; K36-A39 PolarHBondContact O-N 2.96Å; A39-I42 PolarHBondContact O-N 3.03Å; A39-N43 VanDerWaalsContact O-CB 3.3Å; A39-N43 WeakPolarHBondContact O-CB 3.49Å; A39-N43 PolarHBondContact O-N 3.33Å
40	D	70.6	Confident	58.9	Low	73 Å²	73	114.6 Å²	114.6	39%	0.39	57%	0.574	S	S	.	*	H	α-helix	trans	-66.4	-41.3	177.8	-72.5	-22.3	0	0	0	111.6	K36 Y37 N43 L44	K36-D40 WeakPolarHBondContact O-CB 3.48Å; K36-D40 PolarHBondContact O-N 3.11Å; Y37-D40 PolarHBondContact O-N 2.87Å; D40-N43 PolarHBondContact O-N 3.38Å; D40-L44 WeakPolarHBondContact O-CB 3.21Å; D40-L44 PolarHBondContact O-N 3.04Å
41	I	65.9	Low	60.3	Low	108 Å²	108	114.1 Å²	114.1	55%	0.554	56%	0.564	S	S	*	*	H	α-helix	trans	-61.9	-47.6	174	-71.5	165.4	0	0	0	110.3	Y37 R38 N43 L44 S45	Y37-I41 WeakPolarHBondContact O-CB 3.42Å; Y37-I41 WeakPolarHBondContact O-CD1 3.29Å; Y37-I41 WeakPolarHBondContact O-CG1 3.4Å; Y37-I41 PolarHBondContact O-N 3.48Å; R38-I41 PolarHBondContact O-N 3.22Å; I41-N43 VanDerWaalsContact C-N 3.3Å; I41-N43 PolarHBondContact O-N 2.96Å; I41-L44 PolarHBondContact O-N 3.43Å; I41-S45 WeakPolarHBondContact O-CB 3.42Å; I41-S45 PolarHBondContact O-N 2.83Å; I41-S45 PolarHBondContact O-OG 2.87Å
42	I	60.8	Low	60.9	Low	100 Å²	100	109.1 Å²	109.1	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-61.7	-40.4	178.1	-69.2	167.4	0	0	0	110.8	R38 A39 S45 R46	R38-I42 WeakPolarHBondContact O-CB 3.46Å; R38-I42 VanDerWaalsContact O-CG1 3.25Å; R38-I42 WeakPolarHBondContact O-CG1 3.47Å; R38-I42 PolarHBondContact O-N 3.32Å; A39-I42 PolarHBondContact O-N 3.03Å; I42-S45 PolarHBondContact O-N 2.78Å; I42-R46 WeakPolarHBondContact O-CB 3.42Å; I42-R46 PolarHBondContact O-N 2.9Å
43	N	68.9	Low	61.3	Low	85 Å²	85	105.7 Å²	105.7	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-71.5	-39	-179.5	-157.5	18.1	0	0	0	112.1	A39 D40 I41 R46 K47	A39-N43 VanDerWaalsContact O-CB 3.3Å; A39-N43 WeakPolarHBondContact O-CB 3.49Å; A39-N43 PolarHBondContact O-N 3.33Å; D40-N43 PolarHBondContact O-N 3.38Å; I41-N43 VanDerWaalsContact C-N 3.3Å; I41-N43 PolarHBondContact O-N 2.96Å; N43-R46 PolarHBondContact O-N 3.21Å; N43-K47 PolarHBondContact O-N 3.18Å
44	L	71.7	Confident	61.7	Low	126 Å²	126	108.9 Å²	108.9	66%	0.66	54%	0.541	S	S	*	.	H	α-helix	trans	-63.4	-45.6	171.5	-107.9	88.4	0	0	0	111.4	D40 I41 R46 K47 Y48	D40-L44 WeakPolarHBondContact O-CB 3.21Å; D40-L44 PolarHBondContact O-N 3.04Å; I41-L44 PolarHBondContact O-N 3.43Å; L44-R46 VanDerWaalsContact C-N 3.28Å; L44-R46 PolarHBondContact O-N 3.02Å; L44-K47 PolarHBondContact O-N 2.9Å; L44-Y48 WeakPolarHBondContact O-CB 3.45Å; L44-Y48 PolarHBondContact O-N 3.49Å
45	S	61.7	Low	62.4	Low	62 Å²	62	108.7 Å²	108.7	43%	0.434	54%	0.544	S	S	.	.	H	α-helix	trans	-58.4	-41.7	175.9	-60.9	0	0	0	0	111.3	I41 I42 Y48 V49	I41-S45 WeakPolarHBondContact O-CB 3.42Å; I41-S45 PolarHBondContact O-N 2.83Å; I41-S45 PolarHBondContact O-OG 2.87Å; I42-S45 PolarHBondContact O-N 2.78Å; S45-Y48 PolarHBondContact O-N 2.95Å; S45-V49 VanDerWaalsContact O-CG2 3.3Å; S45-V49 WeakPolarHBondContact O-CG2 3.35Å; S45-V49 PolarHBondContact O-N 2.88Å
46	R	65.6	Low	62.4	Low	180 Å²	180	109.4 Å²	109.4	68%	0.679	54%	0.541	S	S	*	.	H	α-helix	trans	-66.1	-41	177.7	-157	-176.3	-71.5	-171.7	-1.9	112	I42 N43 L44 K50	I42-R46 WeakPolarHBondContact O-CB 3.42Å; I42-R46 PolarHBondContact O-N 2.9Å; N43-R46 PolarHBondContact O-N 3.21Å; L44-R46 VanDerWaalsContact C-N 3.28Å; L44-R46 PolarHBondContact O-N 3.02Å; R46-K50 WeakPolarHBondContact O-CB 3.33Å; R46-K50 PolarHBondContact O-N 3.24Å; R46-K50 VanDerWaalsContact O-N 3.09Å
47	K	71.3	Confident	61.8	Low	147 Å²	147	110 Å²	110	64%	0.639	55%	0.552	S	S	*	*	H	α-helix	trans	-64.6	-41.8	173.5	-76.9	-176.6	177.9	-178.6	0	112.2	N43 L44 K50 A51	N43-K47 PolarHBondContact O-N 3.18Å; L44-K47 PolarHBondContact O-N 2.9Å; K47-K50 PolarHBondContact O-N 2.81Å; K47-A51 WeakPolarHBondContact O-CB 3.34Å; K47-A51 PolarHBondContact O-N 3.47Å
48	Y	64.5	Low	61	Low	151 Å²	151	107.8 Å²	107.8	59%	0.592	55%	0.554	S	S	*	*	H	α-helix	trans	-64.2	-46.8	178.2	-175.6	-99.2	0	0	0	111.7	L44 S45 K50 A51 L52	L44-Y48 WeakPolarHBondContact O-CB 3.45Å; L44-Y48 PolarHBondContact O-N 3.49Å; S45-Y48 PolarHBondContact O-N 2.95Å; Y48-K50 VanDerWaalsContact C-N 3.29Å; Y48-K50 PolarHBondContact O-N 2.83Å; Y48-A51 PolarHBondContact O-N 3.48Å; Y48-L52 HydrophobicContact CE1-CD1 4.23Å; Y48-L52 WeakPolarHBondContact O-CB 3.5Å; Y48-L52 PolarHBondContact O-N 2.66Å
49	V	58.9	Low	60.3	Low	75 Å²	75	102.8 Å²	102.8	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-60.8	-39.3	175.9	171.9	0	0	0	0	111.4	S45 L52 A53	S45-V49 VanDerWaalsContact O-CG2 3.3Å; S45-V49 WeakPolarHBondContact O-CG2 3.35Å; S45-V49 PolarHBondContact O-N 2.88Å; V49-L52 PolarHBondContact O-N 2.92Å; V49-A53 WeakPolarHBondContact O-CB 3.36Å; V49-A53 PolarHBondContact O-N 2.67Å
50	K	63	Low	58.5	Low	138 Å²	138	109.7 Å²	109.7	60%	0.6	58%	0.577	S	S	*	*	H	α-helix	trans	-66.9	-43.9	177.7	-157.8	-179.7	179.6	-172.1	0	112.1	R46 K47 Y48 L52 A53 E54	R46-K50 WeakPolarHBondContact O-CB 3.33Å; R46-K50 PolarHBondContact O-N 3.24Å; R46-K50 VanDerWaalsContact O-N 3.09Å; K47-K50 PolarHBondContact O-N 2.81Å; Y48-K50 VanDerWaalsContact C-N 3.29Å; Y48-K50 PolarHBondContact O-N 2.83Å; K50-L52 VanDerWaalsContact C-N 3.32Å; K50-L52 PolarHBondContact O-N 3.47Å; K50-A53 PolarHBondContact O-N 3.48Å; K50-E54 WeakPolarHBondContact O-CG 3.25Å; K50-E54 PolarHBondContact O-N 3.24Å
51	A	70.5	Confident	56.8	Low	49 Å²	49	113.4 Å²	113.4	41%	0.405	60%	0.596	S	S	.	*	H	α-helix	trans	-64.7	-34.4	174.2	0	0	0	0	0	112.7	K47 Y48 T55	K47-A51 WeakPolarHBondContact O-CB 3.34Å; K47-A51 PolarHBondContact O-N 3.47Å; Y48-A51 PolarHBondContact O-N 3.48Å; A51-T55 WeakPolarHBondContact O-CG2 3.47Å; A51-T55 PolarHBondContact O-N 2.92Å; A51-T55 PolarHBondContact O-OG1 3.24Å
52	L	55.3	Low	55.1	Low	50 Å²	50	113.5 Å²	113.5	26%	0.262	60%	0.598	S	S	.	*	H	α-helix	trans	-70.3	-36	175.8	-147.1	81.6	0	0	0	112	Y48 V49 K50 T55 Q56 L73	Y48-L52 HydrophobicContact CE1-CD1 4.23Å; Y48-L52 WeakPolarHBondContact O-CB 3.5Å; Y48-L52 PolarHBondContact O-N 2.66Å; V49-L52 PolarHBondContact O-N 2.92Å; K50-L52 VanDerWaalsContact C-N 3.32Å; K50-L52 PolarHBondContact O-N 3.47Å; L52-T55 WeakPolarHBondContact CA-OG1 3.38Å; L52-T55 PolarHBondContact O-OG1 3.38Å; L52-Q56 PolarHBondContact O-N 3Å; L52-L73 HydrophobicContact CD2-CD1 4.19Å
53	A	51.6	Low	53.7	Low	65 Å²	65	114.4 Å²	114.4	54%	0.537	61%	0.61	S	S	.	*	H	α-helix	trans	-69.4	-39.9	174	0	0	0	0	0	112	V49 K50 T55 Q56	V49-A53 WeakPolarHBondContact O-CB 3.36Å; V49-A53 PolarHBondContact O-N 2.67Å; K50-A53 PolarHBondContact O-N 3.48Å; A53-T55 VanDerWaalsContact C-N 3.31Å; A53-T55 PolarHBondContact O-N 3.34Å; A53-Q56 PolarHBondContact O-N 3.49Å
54	E	63.3	Low	52.1	Low	131 Å²	131	120.5 Å²	120.5	61%	0.612	63%	0.629	S	S	*	*	H	α-helix	trans	-68.1	-28.5	176.7	-73.3	168.5	-171.7	0	0	112.4	K50	K50-E54 WeakPolarHBondContact O-CG 3.25Å; K50-E54 PolarHBondContact O-N 3.24Å
55	T	61.8	Low	50.3	Low	112 Å²	112	119.2 Å²	119.2	69%	0.687	63%	0.63	S	S	*	*	H	α-helix	trans	-82.4	-14.8	177.1	44.5	0	0	0	0	114.4	A51 L52 A53	A51-T55 WeakPolarHBondContact O-CG2 3.47Å; A51-T55 PolarHBondContact O-N 2.92Å; A51-T55 PolarHBondContact O-OG1 3.24Å; L52-T55 WeakPolarHBondContact CA-OG1 3.38Å; L52-T55 PolarHBondContact O-OG1 3.38Å; A53-T55 VanDerWaalsContact C-N 3.31Å; A53-T55 PolarHBondContact O-N 3.34Å
56	Q	50.5	Low	48.8	Very low	115 Å²	115	120.5 Å²	120.5	54%	0.537	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.9	0.7	-179.2	-72.8	-165.3	-25.4	0	0	115.3	L52 A53 V58	L52-Q56 PolarHBondContact O-N 3Å; A53-Q56 PolarHBondContact O-N 3.49Å; Q56-V58 VanDerWaalsContact C-N 3.28Å; Q56-V58 WeakPolarHBondContact O-CG2 3.33Å; Q56-V58 PolarHBondContact O-N 3.15Å; Q56-V58 VanDerWaalsContact O-N 3.07Å
57	N	45.9	Very low	47.4	Very low	159 Å²	159	120.5 Å²	120.5	85%	0.85	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.8	35.5	164.6	-130.7	15.6	0	0	0	115.7
58	V	41.9	Very low	45.5	Very low	108 Å²	108	121.2 Å²	121.2	66%	0.655	66%	0.662	S	S	*	*			trans	-95.1	101.1	178.5	-170.3	0	0	0	0	109.6	Q56	Q56-V58 VanDerWaalsContact C-N 3.28Å; Q56-V58 WeakPolarHBondContact O-CG2 3.33Å; Q56-V58 PolarHBondContact O-N 3.15Å; Q56-V58 VanDerWaalsContact O-N 3.07Å
59	G	36.7	Very low	44.2	Very low	70 Å²	70	119.7 Å²	119.7	72%	0.722	67%	0.669	S	S	*	*			trans	-72.1	157.5	179.1	0	0	0	0	0	114.2
60	F	29	Very low	43.2	Very low	200 Å²	200	118.4 Å²	118.4	88%	0.877	67%	0.671	S	S	*	*	S	Bend	trans	-63.5	150.9	179.5	-106	-109.9	0	0	0	113.2
61	D	34.1	Very low	42.1	Very low	150 Å²	150	120.2 Å²	120.2	80%	0.802	68%	0.675	S	S	*	*			trans	94.3	84.6	163.8	-53.7	-24.3	0	0	0	118.8
62	D	31.2	Very low	41	Very low	111 Å²	111	123 Å²	123	59%	0.594	68%	0.683	S	S	*	*			trans	166.7	116.9	132.6	-173.8	-2.2	0	0	0	110.4	Y64	D62-Y64 VanDerWaalsContact C-N 3.25Å; D62-Y64 PolarHBondContact O-N 3.07Å; D62-Y64 PolarHBondContact OD1-N 3.41Å
63	P	31.5	Very low	40.5	Very low	118 Å²	118	124 Å²	124	77%	0.766	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	7	-177.5	-11.2	27	0	0	0	116.6
64	Y	34	Very low	40.3	Very low	213 Å²	213	128.4 Å²	128.4	84%	0.835	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.8	12.5	-168.8	-79.3	-76.8	0	0	0	118.4	D62	D62-Y64 VanDerWaalsContact C-N 3.25Å; D62-Y64 PolarHBondContact O-N 3.07Å; D62-Y64 PolarHBondContact OD1-N 3.41Å
65	S	33.3	Very low	39.7	Very low	100 Å²	100	127.7 Å²	127.7	70%	0.699	69%	0.69	S	S	*	*			trans	-94.5	139.9	174.5	60.2	0	0	0	0	112.9
66	A	31	Very low	39.2	Very low	89 Å²	89	126 Å²	126	74%	0.736	68%	0.68	S	S	*	*			trans	-76.8	164.9	-171	0	0	0	0	0	113
67	E	35.6	Very low	39.2	Very low	180 Å²	180	123.4 Å²	123.4	84%	0.841	67%	0.669	S	S	*	*	S	Bend	trans	93	98.9	164.3	-56.1	-178.1	168.8	0	0	117
68	L	32.1	Very low	39.5	Very low	161 Å²	161	118.6 Å²	118.6	84%	0.843	65%	0.652	S	S	*	*	S	Bend	trans	68.8	35	144.2	-140	86.1	0	0	0	120.6
69	T	36.3	Very low	40.1	Very low	119 Å²	119	118.2 Å²	118.2	73%	0.73	65%	0.65	S	S	*	*			trans	-149.1	125.8	173.1	53.2	0	0	0	0	114.4
70	G	39.2	Very low	41.2	Very low	48 Å²	48	119.2 Å²	119.2	50%	0.495	64%	0.637	S	S	.	*	S	Bend	trans	122.2	-41.9	167.5	0	0	0	0	0	115.7
71	Y	39.7	Very low	42.5	Very low	176 Å²	176	114.2 Å²	114.2	69%	0.69	62%	0.619	S	S	*	*	H	α-helix	trans	-81.7	-36.6	-176.6	-152.3	-92.7	0	0	0	112.9	K74 K75	Y71-K74 PolarHBondContact O-N 3.14Å; Y71-K75 PolarHBondContact O-N 3Å
72	D	46.8	Very low	43.7	Very low	109 Å²	109	111.6 Å²	111.6	58%	0.583	61%	0.606	S	S	*	*	H	α-helix	trans	-68.7	-35.1	175.5	-87.7	-32.5	0	0	0	112.4	K74 K75 T76	D72-K74 VanDerWaalsContact C-N 3.35Å; D72-K74 PolarHBondContact O-N 3.47Å; D72-K75 PolarHBondContact O-N 3.38Å; D72-T76 PolarHBondContact O-N 3.25Å; D72-T76 PolarHBondContact O-OG1 2.68Å
73	L	45.2	Very low	45.3	Very low	71 Å²	71	109.9 Å²	109.9	37%	0.372	60%	0.596	S	S	.	*	H	α-helix	trans	-63.6	-40.7	176.1	-165.7	76.5	0	0	0	111.6	L52 K75 T76 L77	L52-L73 HydrophobicContact CD2-CD1 4.19Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-T76 PolarHBondContact O-N 2.91Å; L73-L77 HydrophobicContact CD2-CD1 4.41Å; L73-L77 HydrophobicContact CG-CD1 4.08Å; L73-L77 VanDerWaalsContact O-CB 3.28Å; L73-L77 WeakPolarHBondContact O-CB 3.47Å; L73-L77 PolarHBondContact O-N 3.27Å
74	K	47.9	Very low	47.1	Very low	156 Å²	156	109.5 Å²	109.5	68%	0.678	59%	0.585	S	S	*	*	H	α-helix	trans	-63.4	-39.3	174.4	-77.1	-175.8	178.6	-179.1	0	111.8	Y71 D72 A78	Y71-K74 PolarHBondContact O-N 3.14Å; D72-K74 VanDerWaalsContact C-N 3.35Å; D72-K74 PolarHBondContact O-N 3.47Å; K74-A78 VanDerWaalsContact O-CB 3.27Å; K74-A78 WeakPolarHBondContact O-CB 3.14Å; K74-A78 PolarHBondContact O-N 3.29Å
75	K	49.6	Very low	48.7	Very low	116 Å²	116	103.9 Å²	103.9	50%	0.504	57%	0.57	S	S	.	*	H	α-helix	trans	-65.8	-47.9	174.7	-103.4	-174.7	176.4	-179.8	0	111.8	Y71 D72 L73 L77 A78 V79	Y71-K75 PolarHBondContact O-N 3Å; D72-K75 PolarHBondContact O-N 3.38Å; L73-K75 VanDerWaalsContact C-N 3.34Å; K75-L77 VanDerWaalsContact C-N 3.34Å; K75-L77 PolarHBondContact O-N 3.21Å; K75-A78 PolarHBondContact O-N 3.42Å; K75-V79 VanDerWaalsContact O-CG2 3.29Å; K75-V79 WeakPolarHBondContact O-CG2 3.21Å; K75-V79 PolarHBondContact O-N 3.44Å
76	T	50.9	Low	50.1	Low	77 Å²	77	106 Å²	106	47%	0.472	56%	0.562	S	S	.	*	H	α-helix	trans	-62.3	-42.3	177.9	-51.6	0	0	0	0	111	D72 L73 V79 I80	D72-T76 PolarHBondContact O-N 3.25Å; D72-T76 PolarHBondContact O-OG1 2.68Å; L73-T76 PolarHBondContact O-N 2.91Å; T76-V79 PolarHBondContact O-N 2.97Å; T76-I80 HydrophobicContact CG2-CD1 3.93Å; T76-I80 WeakPolarHBondContact O-CB 3.13Å; T76-I80 VanDerWaalsContact O-CG1 3.27Å; T76-I80 WeakPolarHBondContact O-CG1 3.21Å; T76-I80 PolarHBondContact O-N 2.9Å
77	L	52.1	Low	52.1	Low	60 Å²	60	109 Å²	109	31%	0.314	55%	0.554	S	S	.	*	H	α-helix	trans	-62.3	-42.9	174	-88.9	157.4	0	0	0	112.2	L73 K75 I80 L81	L73-L77 HydrophobicContact CD2-CD1 4.41Å; L73-L77 HydrophobicContact CG-CD1 4.08Å; L73-L77 VanDerWaalsContact O-CB 3.28Å; L73-L77 WeakPolarHBondContact O-CB 3.47Å; L73-L77 PolarHBondContact O-N 3.27Å; K75-L77 VanDerWaalsContact C-N 3.34Å; K75-L77 PolarHBondContact O-N 3.21Å; L77-I80 PolarHBondContact O-N 2.78Å; L77-L81 WeakPolarHBondContact O-CB 3.49Å; L77-L81 PolarHBondContact O-N 2.66Å
78	A	51	Low	53.7	Low	58 Å²	58	104.3 Å²	104.3	48%	0.479	53%	0.534	S	S	.	.	H	α-helix	trans	-63.7	-42.6	177.2	0	0	0	0	0	111.7	K74 K75 L81 D82	K74-A78 VanDerWaalsContact O-CB 3.27Å; K74-A78 WeakPolarHBondContact O-CB 3.14Å; K74-A78 PolarHBondContact O-N 3.29Å; K75-A78 PolarHBondContact O-N 3.42Å; A78-L81 PolarHBondContact O-N 3.12Å; A78-D82 WeakPolarHBondContact O-CB 3.48Å; A78-D82 PolarHBondContact O-N 3.2Å
79	V	55.9	Low	55.1	Low	101 Å²	101	101 Å²	101	61%	0.612	52%	0.517	S	S	*	.	H	α-helix	trans	-65	-41.1	176.7	172.8	0	0	0	0	111.5	K75 T76 D82 D83	K75-V79 VanDerWaalsContact O-CG2 3.29Å; K75-V79 WeakPolarHBondContact O-CG2 3.21Å; K75-V79 PolarHBondContact O-N 3.44Å; T76-V79 PolarHBondContact O-N 2.97Å; V79-D82 PolarHBondContact O-N 3Å; V79-D83 PolarHBondContact O-N 3.04Å
80	I	58.3	Low	56.6	Low	90 Å²	90	100.9 Å²	100.9	46%	0.462	51%	0.509	S	S	.	.	H	α-helix	trans	-67.5	-42.8	176.8	-69.1	169.2	0	0	0	111	T76 L77 D82 D83 M84	T76-I80 HydrophobicContact CG2-CD1 3.93Å; T76-I80 WeakPolarHBondContact O-CB 3.13Å; T76-I80 VanDerWaalsContact O-CG1 3.27Å; T76-I80 WeakPolarHBondContact O-CG1 3.21Å; T76-I80 PolarHBondContact O-N 2.9Å; L77-I80 PolarHBondContact O-N 2.78Å; I80-D82 VanDerWaalsContact C-N 3.33Å; I80-D82 PolarHBondContact O-N 2.86Å; I80-D83 PolarHBondContact O-N 2.86Å; I80-M84 HydrophobicContact CG2-CG 4.44Å; I80-M84 HydrophobicContact CG2-SD 4.12Å; I80-M84 WeakPolarHBondContact O-CB 3.37Å; I80-M84 VanDerWaalsContact O-CG 3.29Å; I80-M84 WeakPolarHBondContact O-CG 3.35Å; I80-M84 PolarHBondContact O-N 3.13Å
81	L	57.3	Low	58.2	Low	95 Å²	95	103.9 Å²	103.9	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-62	-40.9	175.6	-90	153.6	0	0	0	111.6	L77 A78 M84 L85	L77-L81 WeakPolarHBondContact O-CB 3.49Å; L77-L81 PolarHBondContact O-N 2.66Å; A78-L81 PolarHBondContact O-N 3.12Å; L81-M84 PolarHBondContact O-N 2.95Å; L81-L85 WeakPolarHBondContact O-CB 3.35Å; L81-L85 WeakPolarHBondContact O-CG 3.36Å; L81-L85 PolarHBondContact O-N 2.82Å
82	D	58.7	Low	59.4	Low	96 Å²	96	101.2 Å²	101.2	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-42.4	176.3	-166.3	68.8	0	0	0	112.2	A78 V79 I80 M84 L85 R86	A78-D82 WeakPolarHBondContact O-CB 3.48Å; A78-D82 PolarHBondContact O-N 3.2Å; V79-D82 PolarHBondContact O-N 3Å; I80-D82 VanDerWaalsContact C-N 3.33Å; I80-D82 PolarHBondContact O-N 2.86Å; D82-M84 PolarHBondContact O-N 2.88Å; D82-L85 PolarHBondContact O-N 3.45Å; D82-R86 PolarHBondContact O-N 2.82Å
83	D	65.6	Low	60.3	Low	74 Å²	74	101.2 Å²	101.2	40%	0.396	51%	0.505	S	S	.	.	H	α-helix	trans	-63.4	-41.9	174.3	-171.1	66	0	0	0	111.8	V79 I80 R86 R87	V79-D83 PolarHBondContact O-N 3.04Å; I80-D83 PolarHBondContact O-N 2.86Å; D83-R86 PolarHBondContact O-N 2.86Å; D83-R87 WeakPolarHBondContact O-CG 3.41Å; D83-R87 PolarHBondContact O-N 3.21Å; D83-R87 IonicContact OD1-NE 3.93Å; D83-R87 IonicContact OD2-CZ 3.65Å; D83-R87 VanDerWaalsContact OD2-CZ 3.29Å; D83-R87 IonicContact OD2-NE 3.92Å; D83-R87 PolarHBondContact OD2-NE 3.21Å; D83-R87 IonicContact OD2-NH2 3.99Å; D83-R87 PolarHBondContact OD2-NH2 3.49Å
84	M	67.7	Low	61.4	Low	110 Å²	110	105 Å²	105	54%	0.542	52%	0.519	S	S	.	.	H	α-helix	trans	-64.3	-42.9	176.7	-72.8	-177.6	73.5	0	0	111.9	I80 L81 D82 R87 I88	I80-M84 HydrophobicContact CG2-CG 4.44Å; I80-M84 HydrophobicContact CG2-SD 4.12Å; I80-M84 WeakPolarHBondContact O-CB 3.37Å; I80-M84 VanDerWaalsContact O-CG 3.29Å; I80-M84 WeakPolarHBondContact O-CG 3.35Å; I80-M84 PolarHBondContact O-N 3.13Å; L81-M84 PolarHBondContact O-N 2.95Å; D82-M84 PolarHBondContact O-N 2.88Å; M84-R87 PolarHBondContact O-N 2.8Å; M84-I88 WeakPolarHBondContact O-CG1 3.29Å; M84-I88 PolarHBondContact O-N 3.19Å; M84-I88 VanDerWaalsContact O-N 3.08Å
85	L	67.8	Low	62.1	Low	96 Å²	96	102.9 Å²	102.9	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-65	-43.8	177	-71.8	168.9	0	0	0	111.4	L81 D82 R87 I88 D89	L81-L85 WeakPolarHBondContact O-CB 3.35Å; L81-L85 WeakPolarHBondContact O-CG 3.36Å; L81-L85 PolarHBondContact O-N 2.82Å; D82-L85 PolarHBondContact O-N 3.45Å; L85-R87 VanDerWaalsContact C-N 3.29Å; L85-R87 PolarHBondContact O-N 2.72Å; L85-I88 PolarHBondContact O-N 3.11Å; L85-I88 VanDerWaalsContact O-N 3.11Å; L85-D89 PolarHBondContact O-N 2.79Å
86	R	63.6	Low	62.2	Low	143 Å²	143	99.6 Å²	99.6	54%	0.54	51%	0.506	S	S	.	.	H	α-helix	trans	-58.9	-37.7	173.9	-83.6	-178.4	81.1	165.8	4.8	113	D82 D83 Q90	D82-R86 PolarHBondContact O-N 2.82Å; D83-R86 PolarHBondContact O-N 2.86Å; R86-Q90 WeakPolarHBondContact O-CG 3.03Å; R86-Q90 PolarHBondContact O-N 3.09Å; R86-Q90 VanDerWaalsContact O-N 3.09Å
87	R	71.9	Confident	62.5	Low	152 Å²	152	101.5 Å²	101.5	57%	0.574	51%	0.513	S	S	*	.	H	α-helix	trans	-68.1	-38	176.5	-72.4	176	-168	-135.6	4.8	111.9	D83 M84 L85 Q90 I91	D83-R87 WeakPolarHBondContact O-CG 3.41Å; D83-R87 PolarHBondContact O-N 3.21Å; D83-R87 IonicContact OD1-NE 3.93Å; D83-R87 IonicContact OD2-CZ 3.65Å; D83-R87 VanDerWaalsContact OD2-CZ 3.29Å; D83-R87 IonicContact OD2-NE 3.92Å; D83-R87 PolarHBondContact OD2-NE 3.21Å; D83-R87 IonicContact OD2-NH2 3.99Å; D83-R87 PolarHBondContact OD2-NH2 3.49Å; M84-R87 PolarHBondContact O-N 2.8Å; L85-R87 VanDerWaalsContact C-N 3.29Å; L85-R87 PolarHBondContact O-N 2.72Å; R87-Q90 PolarHBondContact O-N 3.32Å; R87-I91 VanDerWaalsContact O-CG1 3.29Å; R87-I91 WeakPolarHBondContact O-CG1 3.1Å; R87-I91 PolarHBondContact O-N 3.11Å; R87-I91 VanDerWaalsContact O-N 3.08Å
88	I	69.4	Low	62.5	Low	82 Å²	82	104.5 Å²	104.5	42%	0.421	53%	0.529	S	S	.	.	H	α-helix	trans	-63.4	-46.7	174.6	-69.4	168.7	0	0	0	110.1	M84 L85 Q90 I91 E92	M84-I88 WeakPolarHBondContact O-CG1 3.29Å; M84-I88 PolarHBondContact O-N 3.19Å; M84-I88 VanDerWaalsContact O-N 3.08Å; L85-I88 PolarHBondContact O-N 3.11Å; L85-I88 VanDerWaalsContact O-N 3.11Å; I88-Q90 VanDerWaalsContact C-N 3.31Å; I88-Q90 PolarHBondContact O-N 2.9Å; I88-I91 WeakPolarHBondContact O-CA 3.45Å; I88-I91 WeakPolarHBondContact O-CB 3.47Å; I88-I91 PolarHBondContact O-N 3.17Å; I88-E92 HydrophobicContact CG2-CG 4.43Å; I88-E92 PolarHBondContact O-N 3.38Å
89	D	62.5	Low	62.6	Low	91 Å²	91	106.6 Å²	106.6	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-58.9	-40.3	176.9	-74.1	-12.2	0	0	0	112.3	L85 I91 E92 L93	L85-D89 PolarHBondContact O-N 2.79Å; D89-I91 VanDerWaalsContact C-N 3.32Å; D89-I91 PolarHBondContact O-N 3.22Å; D89-E92 PolarHBondContact O-N 3.48Å; D89-L93 WeakPolarHBondContact O-CB 3.34Å; D89-L93 WeakPolarHBondContact O-CG 3.41Å; D89-L93 PolarHBondContact O-N 3.5Å
90	Q	68.4	Low	62	Low	117 Å²	117	108.5 Å²	108.5	55%	0.547	54%	0.543	S	S	.	.	H	α-helix	trans	-65.7	-33.9	175.3	-75.7	-169.1	-0.1	0	0	113	R86 R87 I88 K94	R86-Q90 WeakPolarHBondContact O-CG 3.03Å; R86-Q90 PolarHBondContact O-N 3.09Å; R86-Q90 VanDerWaalsContact O-N 3.09Å; R87-Q90 PolarHBondContact O-N 3.32Å; I88-Q90 VanDerWaalsContact C-N 3.31Å; I88-Q90 PolarHBondContact O-N 2.9Å; Q90-K94 WeakPolarHBondContact O-CG 3.44Å; Q90-K94 PolarHBondContact O-N 3.2Å
91	I	71	Confident	61	Low	111 Å²	111	108.4 Å²	108.4	57%	0.569	55%	0.55	S	S	*	*	H	α-helix	trans	-71	-43.1	175.5	-68.9	165.7	0	0	0	109.8	R87 I88 D89 L93 K94 L95	R87-I91 VanDerWaalsContact O-CG1 3.29Å; R87-I91 WeakPolarHBondContact O-CG1 3.1Å; R87-I91 PolarHBondContact O-N 3.11Å; R87-I91 VanDerWaalsContact O-N 3.08Å; I88-I91 WeakPolarHBondContact O-CA 3.45Å; I88-I91 WeakPolarHBondContact O-CB 3.47Å; I88-I91 PolarHBondContact O-N 3.17Å; D89-I91 VanDerWaalsContact C-N 3.32Å; D89-I91 PolarHBondContact O-N 3.22Å; I91-L93 PolarHBondContact O-N 3.08Å; I91-K94 PolarHBondContact O-N 3.06Å; I91-L95 WeakPolarHBondContact O-CB 3.23Å; I91-L95 PolarHBondContact O-N 2.84Å
92	E	66	Low	59.9	Low	120 Å²	120	109.4 Å²	109.4	56%	0.561	57%	0.565	S	S	*	*	H	α-helix	trans	-62.8	-40.3	176.1	-71.5	-171.3	173.1	0	0	112.1	I88 D89 L95 S96	I88-E92 HydrophobicContact CG2-CG 4.43Å; I88-E92 PolarHBondContact O-N 3.38Å; D89-E92 PolarHBondContact O-N 3.48Å; E92-L95 PolarHBondContact O-N 3.09Å; E92-S96 WeakPolarHBondContact O-CB 3.46Å; E92-S96 PolarHBondContact O-N 3.3Å; E92-S96 PolarHBondContact O-OG 3.01Å; E92-S96 VanDerWaalsContact O-OG 3.13Å
93	L	64.7	Low	58.8	Low	109 Å²	109	110.4 Å²	110.4	57%	0.571	58%	0.577	S	S	*	*	H	α-helix	trans	-65.4	-36.3	173.2	-81.1	164.1	0	0	0	112.9	D89 I91 S96 N97	D89-L93 WeakPolarHBondContact O-CB 3.34Å; D89-L93 WeakPolarHBondContact O-CG 3.41Å; D89-L93 PolarHBondContact O-N 3.5Å; I91-L93 PolarHBondContact O-N 3.08Å; L93-S96 PolarHBondContact O-OG 3.14Å; L93-S96 VanDerWaalsContact O-OG 3.14Å; L93-N97 WeakPolarHBondContact O-CB 3.37Å; L93-N97 PolarHBondContact O-N 3.43Å; L93-N97 PolarHBondContact O-ND2 3.15Å; L93-N97 VanDerWaalsContact O-ND2 3.1Å
94	K	68.9	Low	57.4	Low	151 Å²	151	115.9 Å²	115.9	66%	0.657	60%	0.6	S	S	*	*	H	α-helix	trans	-70.1	-37.5	173.2	-81.6	-179.1	177.2	178.7	0	111.8	Q90 I91 L98	Q90-K94 WeakPolarHBondContact O-CG 3.44Å; Q90-K94 PolarHBondContact O-N 3.2Å; I91-K94 PolarHBondContact O-N 3.06Å; K94-L98 WeakPolarHBondContact O-CG 3.22Å; K94-L98 PolarHBondContact O-N 3.19Å
95	L	63.1	Low	55.8	Low	111 Å²	111	118.8 Å²	118.8	58%	0.581	62%	0.617	S	S	*	*	H	α-helix	trans	-70.3	-40.9	179.8	-161.2	70.6	0	0	0	111.7	I91 E92 N97 L98 T99	I91-L95 WeakPolarHBondContact O-CB 3.23Å; I91-L95 PolarHBondContact O-N 2.84Å; E92-L95 PolarHBondContact O-N 3.09Å; L95-N97 VanDerWaalsContact C-N 3.34Å; L95-N97 PolarHBondContact O-N 3.24Å; L95-L98 PolarHBondContact O-N 3.08Å; L95-L98 VanDerWaalsContact O-N 3.16Å; L95-T99 PolarHBondContact O-N 2.69Å; L95-T99 VanDerWaalsContact O-N 3.11Å; L95-T99 PolarHBondContact O-OG1 3.25Å
96	S	51.1	Low	54	Low	47 Å²	47	121.6 Å²	121.6	33%	0.329	63%	0.632	S	S	.	*	H	α-helix	trans	-66.3	-34.1	177.2	61.7	0	0	0	0	113	E92 L93 L98 T99 N100	E92-S96 WeakPolarHBondContact O-CB 3.46Å; E92-S96 PolarHBondContact O-N 3.3Å; E92-S96 PolarHBondContact O-OG 3.01Å; E92-S96 VanDerWaalsContact O-OG 3.13Å; L93-S96 PolarHBondContact O-OG 3.14Å; L93-S96 VanDerWaalsContact O-OG 3.14Å; S96-L98 VanDerWaalsContact C-N 3.34Å; S96-T99 WeakPolarHBondContact CA-OG1 3.29Å; S96-T99 PolarHBondContact O-N 3.43Å; S96-T99 PolarHBondContact O-OG1 3.4Å; S96-N100 PolarHBondContact O-N 3.14Å; S96-N100 PolarHBondContact O-ND2 3.39Å
97	N	57.6	Low	52.5	Low	118 Å²	118	123.4 Å²	123.4	63%	0.631	64%	0.644	S	S	*	*	H	α-helix	trans	-70.7	-26.2	172.9	-76.3	-29	0	0	0	113.4	L93 L95	L93-N97 WeakPolarHBondContact O-CB 3.37Å; L93-N97 PolarHBondContact O-N 3.43Å; L93-N97 PolarHBondContact O-ND2 3.15Å; L93-N97 VanDerWaalsContact O-ND2 3.1Å; L95-N97 VanDerWaalsContact C-N 3.34Å; L95-N97 PolarHBondContact O-N 3.24Å
98	L	51.1	Low	50.7	Low	123 Å²	123	123.4 Å²	123.4	64%	0.644	65%	0.65	S	S	*	*	H	α-helix	trans	-78.8	-31.8	174.5	-72.1	166	0	0	0	112	K94 L95 S96 S101	K94-L98 WeakPolarHBondContact O-CG 3.22Å; K94-L98 PolarHBondContact O-N 3.19Å; L95-L98 PolarHBondContact O-N 3.08Å; L95-L98 VanDerWaalsContact O-N 3.16Å; S96-L98 VanDerWaalsContact C-N 3.34Å; L98-S101 PolarHBondContact O-OG 2.81Å
99	T	53.2	Low	48.8	Very low	101 Å²	101	129.6 Å²	129.6	62%	0.62	67%	0.67	S	S	*	*	H	α-helix	trans	-79.5	-16.8	-179.7	46.2	0	0	0	0	114.8	L95 S96 S101	L95-T99 PolarHBondContact O-N 2.69Å; L95-T99 VanDerWaalsContact O-N 3.11Å; L95-T99 PolarHBondContact O-OG1 3.25Å; S96-T99 WeakPolarHBondContact CA-OG1 3.29Å; S96-T99 PolarHBondContact O-N 3.43Å; S96-T99 PolarHBondContact O-OG1 3.4Å; T99-S101 PolarHBondContact O-N 2.92Å
100	N	43.9	Very low	47.3	Very low	141 Å²	141	129.7 Å²	129.7	75%	0.754	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	21.2	178.3	-76.7	-21.4	0	0	0	114.2	S96	S96-N100 PolarHBondContact O-N 3.14Å; S96-N100 PolarHBondContact O-ND2 3.39Å
101	S	38.4	Very low	45.5	Very low	89 Å²	89	132.6 Å²	132.6	62%	0.622	69%	0.691	S	S	*	*	S	Bend	trans	-123.9	60.8	179	54.4	0	0	0	0	112.9	L98 T99	L98-S101 PolarHBondContact O-OG 2.81Å; T99-S101 PolarHBondContact O-N 2.92Å
102	S	34	Very low	43.7	Very low	116 Å²	116	132.5 Å²	132.5	81%	0.811	70%	0.701	S	S	*	*			trans	-174.6	123.4	152.8	-110.4	0	0	0	0	112
103	P	34.1	Very low	42.1	Very low	116 Å²	116	134.3 Å²	134.3	75%	0.753	71%	0.712	S	S	*	*			trans	-97.2	123.8	173.6	33.3	-24.5	0	0	0	110.6
104	Q	37.2	Very low	40.3	Very low	190 Å²	190	135.9 Å²	135.9	89%	0.888	72%	0.722	S	S	*	*			trans	168.6	117.3	146.3	-94.3	163.5	47.5	0	0	110.8
105	L	33	Very low	38.6	Very low	171 Å²	171	134.7 Å²	134.7	90%	0.895	73%	0.732	S	S	*	*				146.7	105.1	123.5	-151.7	74.1	0	0	0	112
106	N	31.4	Very low	36.9	Very low	155 Å²	155	132.9 Å²	132.9	83%	0.829	74%	0.74	S	S	*	*			trans	-94.1	162.2	171	-102.5	-25.7	0	0	0	111
107	K	31.5	Very low	35.8	Very low	181 Å²	181	136.7 Å²	136.7	79%	0.787	76%	0.764	S	S	*	*			trans	90.6	114.8	164	-64.5	-178.2	170.8	178.8	0	116.8
108	H	35.1	Very low	34.4	Very low	151 Å²	151	138.9 Å²	138.9	70%	0.699	77%	0.774	S	S	*	*				177.1	151.3	90.6	-114.4	-83	0	0	0	112.5
109	Y	28.2	Very low	33.3	Very low	212 Å²	212	140.5 Å²	140.5	83%	0.831	78%	0.782	S	S	*	*			trans	91.8	94.7	159.4	-77.5	-76.2	0	0	0	121.2
110	S	30.3	Very low	32	Very low	94 Å²	94	140.2 Å²	140.2	66%	0.657	78%	0.782	S	S	*	*			trans	-89.5	159.9	144.9	48.1	0	0	0	0	111.3
111	E	31	Very low	31.1	Very low	177 Å²	177	141.9 Å²	141.9	83%	0.827	78%	0.784	S	S	*	*			trans	112.5	131.3	151.4	-64.1	-176.4	177.1	0	0	120.1
112	S	33.8	Very low	30.6	Very low	110 Å²	110	143.9 Å²	143.9	77%	0.769	79%	0.793	S	S	*	*			trans	87.5	136.2	158.2	76.5	0	0	0	0	118.7
113	I	31.9	Very low	30.3	Very low	157 Å²	157	143.4 Å²	143.4	81%	0.805	80%	0.796	S	S	*	*			cis	-162.3	155.5	2.1	-102	156.7	0	0	0	108.4
114	N	28.4	Very low	29.9	Very low	143 Å²	143	146.6 Å²	146.6	77%	0.765	79%	0.793	S	S	*	*			trans	-50.6	156.6	-179.1	-61.1	-47	0	0	0	119.7
115	S	32.3	Very low	29.5	Very low	125 Å²	125	140.9 Å²	140.9	87%	0.874	79%	0.786	S	S	*	*				125.6	124.4	121.3	66	0	0	0	0	118.6
116	G	26.8	Very low	29.4	Very low	73 Å²	73	137.8 Å²	137.8	75%	0.753	77%	0.77	S	S	*	*			trans	111	137.8	154.7	0	0	0	0	0	116.9
117	P	29.5	Very low	29.3	Very low	128 Å²	128	139.5 Å²	139.5	83%	0.831	77%	0.77	S	S	*	*			trans	-104	132.3	-147.1	36.3	-26.6	0	0	0	114.3
118	I	27.6	Very low	29.1	Very low	164 Å²	164	139.1 Å²	139.1	84%	0.841	77%	0.773	S	S	*	*			trans	-146.6	118	167.5	-56.7	-178.7	0	0	0	109.9
119	I	27.4	Very low	29	Very low	156 Å²	156	137.6 Å²	137.6	80%	0.8	78%	0.779	S	S	*	*			trans	-67.2	128.2	166.9	-61.1	163.9	0	0	0	107.5
120	P	27.3	Very low	29	Very low	96 Å²	96	132.9 Å²	132.9	62%	0.623	78%	0.777	S	S	*	*				-157.4	152.8	98.8	34.1	-11.5	0	0	0	118.3
121	H	24.3	Very low	29	Very low	175 Å²	175	135.6 Å²	135.6	81%	0.81	78%	0.784	S	S	*	*			trans	21.6	107.6	145.7	-55.7	-73.3	0	0	0	119.1
122	T	27	Very low	29	Very low	132 Å²	132	136.7 Å²	136.7	81%	0.81	79%	0.789	S	S	*	*			trans	-153.2	127.5	151.9	37.6	0	0	0	0	113.4
123	A	27.3	Very low	28.7	Very low	106 Å²	106	141.1 Å²	141.1	88%	0.876	80%	0.795	S	S	*	*			trans	7.4	122.9	157	0	0	0	0	0	119.4
124	R	27.7	Very low	28.5	Very low	182 Å²	182	139.3 Å²	139.3	69%	0.687	80%	0.796	S	S	*	*			trans	-130.1	99.9	166.5	-71.7	-176.3	-177.9	-156.9	-1.2	111.4
125	G	26.8	Very low	28.5	Very low	71 Å²	71	137.8 Å²	137.8	73%	0.732	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-83.3	145.3	164.4	0	0	0	0	0	111.3	K127	G125-K127 PolarHBondContact O-N 2.94Å
126	L	31	Very low	28.2	Very low	106 Å²	106	143 Å²	143	56%	0.555	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-57.1	121.6	174.9	-82.8	147.4	0	0	0	111.2
127	K	29.6	Very low	28.3	Very low	191 Å²	191	148.8 Å²	148.8	83%	0.83	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-88.2	131.8	170.4	-83	-177.2	174.1	-179.8	0	110.2	G125	G125-K127 PolarHBondContact O-N 2.94Å
128	M	28.8	Very low	28.2	Very low	173 Å²	173	153 Å²	153	85%	0.852	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-87.6	137	167.8	-67.1	165.4	66.4	0	0	109.2
129	S	31.3	Very low	28.2	Very low	119 Å²	119	151.3 Å²	151.3	83%	0.832	80%	0.799	S	S	*	*			trans	-132.1	128	177.9	175.9	0	0	0	0	111
130	S	29.3	Very low	28.1	Very low	113 Å²	113	149.2 Å²	149.2	79%	0.79	79%	0.79	S	S	*	*			trans	-84.3	138.2	169.9	50	0	0	0	0	111.3
131	N	29.5	Very low	28.2	Very low	151 Å²	151	152.4 Å²	152.4	81%	0.807	79%	0.791	S	S	*	*			trans	-21.4	130.7	176.4	-70.6	-21.9	0	0	0	118.5
132	E	31.1	Very low	28.4	Very low	199 Å²	199	149.5 Å²	149.5	93%	0.93	78%	0.781	S	S	*	*			trans	-159.9	149	136.8	-116.5	174	-170.8	0	0	113.5
133	K	27.3	Very low	28.8	Very low	204 Å²	204	148.8 Å²	148.8	89%	0.887	77%	0.772	S	S	*	*			trans	-68.6	141.1	-168.2	-62.3	162.3	174.1	172.9	0	113.2
134	S	28.6	Very low	28.9	Very low	118 Å²	118	149.1 Å²	149.1	83%	0.825	76%	0.758	S	S	*	*			trans	-174	124.5	139.8	-164.5	0	0	0	0	115.8
135	S	27.6	Very low	29.1	Very low	111 Å²	111	146.2 Å²	146.2	78%	0.776	76%	0.756	S	S	*	*			trans	29.8	117.7	139.1	-160.6	0	0	0	0	121.9
136	Y	25.8	Very low	29.3	Very low	236 Å²	236	150.6 Å²	150.6	93%	0.925	76%	0.757	S	S	*	*			trans	-70.3	134	169.8	-75.1	-91.2	0	0	0	113.3
137	K	29.7	Very low	29.1	Very low	193 Å²	193	153.5 Å²	153.5	84%	0.839	77%	0.773	S	S	*	*			trans	-126.8	134.7	164.8	-145.7	178.2	-173	-178	0	108.9
138	K	27.4	Very low	29.2	Very low	217 Å²	217	148.8 Å²	148.8	94%	0.943	77%	0.77	S	S	*	*			trans	-63.4	122.6	-177.1	-133	172.8	-177	177.1	0	110.2
139	I	27.1	Very low	29.7	Very low	128 Å²	128	147.5 Å²	147.5	66%	0.656	76%	0.762	S	S	*	*			trans	-116.6	142.2	179.6	-64.2	174.3	0	0	0	110.7	D143	I139-D143 HydrophobicContact CG2-CB 3.67Å; I139-D143 WeakPolarHBondContact CG2-OD2 3.41Å
140	N	26.5	Very low	30.4	Very low	112 Å²	112	145.6 Å²	145.6	60%	0.599	74%	0.74	S	S	*	*			trans	-78	144.6	-168.2	-170.9	-9	0	0	0	112.1	L142 D143	N140-L142 PolarHBondContact O-N 3.07Å; N140-D143 PolarHBondContact O-N 3.4Å
141	Y	28.6	Very low	31.5	Very low	163 Å²	163	146.8 Å²	146.8	64%	0.639	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-54.8	-26.8	-174.4	155.9	-97	0	0	0	114.7	L144 L145	Y141-L144 WeakPolarHBondContact O-CB 3.26Å; Y141-L144 PolarHBondContact O-N 3.4Å; Y141-L145 HydrophobicContact CE2-CD1 4.28Å
142	L	29.1	Very low	32.9	Very low	115 Å²	115	140.2 Å²	140.2	60%	0.602	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-77.8	-25.3	177.8	-110.9	71.9	0	0	0	114.1	N140 L144	N140-L142 PolarHBondContact O-N 3.07Å; L142-L144 PolarHBondContact O-N 3.39Å
143	D	34.3	Very low	34	Very low	117 Å²	117	134.5 Å²	134.5	63%	0.626	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-72.5	-11.4	173.5	-69.7	-31.2	0	0	0	111.9	I139 N140	I139-D143 HydrophobicContact CG2-CB 3.67Å; I139-D143 WeakPolarHBondContact CG2-OD2 3.41Å; N140-D143 PolarHBondContact O-N 3.4Å
144	L	30.2	Very low	35.4	Very low	113 Å²	113	125.8 Å²	125.8	59%	0.592	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-81.9	-11.6	-179.2	-131.2	92.3	0	0	0	113.8	Y141 L142	Y141-L144 WeakPolarHBondContact O-CB 3.26Å; Y141-L144 PolarHBondContact O-N 3.4Å; L142-L144 PolarHBondContact O-N 3.39Å
145	L	31.4	Very low	36.6	Very low	120 Å²	120	123.2 Å²	123.2	63%	0.628	62%	0.62	S	S	*	*	S	Bend	trans	-116.4	-7.2	-165.8	-74.3	170.5	0	0	0	115.2	Y141	Y141-L145 HydrophobicContact CE2-CD1 4.28Å
146	Q	30.7	Very low	37.7	Very low	164 Å²	164	120.9 Å²	120.9	77%	0.766	61%	0.607	S	S	*	*	S	Bend	trans	-125.2	-37.6	-171.2	-84.5	-179.9	-25.1	0	0	119.6
147	D	27.9	Very low	38.8	Very low	166 Å²	166	113.4 Å²	113.4	89%	0.888	58%	0.58	S	S	*	*			trans	-170.6	94.3	-177.4	-99.6	-37.6	0	0	0	115
148	A	30.8	Very low	39.9	Very low	92 Å²	92	106.5 Å²	106.5	76%	0.76	55%	0.55	S	S	*	*			trans	-156.8	113.1	158.1	0	0	0	0	0	111.5	E150	A148-E150 PolarHBondContact O-N 3.16Å
149	Q	38.7	Very low	41.3	Very low	147 Å²	147	97.8 Å²	97.8	69%	0.687	51%	0.514	S	S	*	.			trans	-48.3	105.8	174.6	-78.4	159.1	-2.8	0	0	111.9	N151	Q149-N151 PolarHBondContact O-N 3.14Å
150	E	47.3	Very low	42.6	Very low	78 Å²	78	96 Å²	96	36%	0.364	51%	0.511	S	S	.	.			trans	-64.6	116.9	170.5	-84.9	-175.5	155.6	0	0	108.9	A148 C152 C192 R196 R211	A148-E150 PolarHBondContact O-N 3.16Å; E150-C152 VanDerWaalsContact C-N 3.32Å; E150-C152 PolarHBondContact O-N 3.22Å; E150-C192 PolarHBondContact O-SG 2.97Å; E150-R196 IonicContact OE2-NH1 2.71Å; E150-R211 IonicContact OE1-CZ 3.27Å; E150-R211 VanDerWaalsContact OE1-CZ 3.27Å; E150-R211 IonicContact OE1-NE 3.08Å; E150-R211 PolarHBondContact OE1-NE 2.99Å; E150-R211 IonicContact OE1-NH2 2.68Å; E150-R211 PolarHBondContact OE1-NH2 3.17Å
151	N	52.2	Low	43.8	Very low	138 Å²	138	92.3 Å²	92.3	74%	0.738	49%	0.491	S	S	*	.			trans	-68.6	91.7	166.2	-80.4	-29.9	0	0	0	108.2	Q149 V153	Q149-N151 PolarHBondContact O-N 3.14Å; N151-V153 HydrophobicContact CB-CG2 3.99Å; N151-V153 PolarHBondContact O-N 2.87Å
152	C	58.6	Low	45.3	Very low	14 Å²	14	87.8 Å²	87.8	10%	0.095	47%	0.473	C	S	.	.			trans	-67.3	79.4	166.3	-81.2	0	0	0	0	109.9	E150 V154 C192 V195 L208	E150-C152 VanDerWaalsContact C-N 3.32Å; E150-C152 PolarHBondContact O-N 3.22Å; C152-V154 PolarHBondContact O-N 3.18Å; C152-C192 HydrophobicContact CB-CB 3.59Å; C152-C192 WeakPolarHBondContact CB-SG 3.43Å; C152-C192 VanDerWaalsContact SG-C 3.55Å; C152-C192 WeakPolarHBondContact SG-CA 3.45Å; C152-C192 WeakPolarHBondContact SG-CB 3.31Å; C152-C192 PolarHBondContact SG-O 2.81Å; C152-C192 CovalentContact SG-SG 2.02Å; C152-C192 PolarHBondContact SG-SG 2.75Å; C152-V195 HydrophobicContact CB-CB 4.4Å; C152-V195 HydrophobicContact CB-CG1 4.45Å; C152-L208 HydrophobicContact CB-CD1 4.2Å; C152-L208 HydrophobicContact CB-CD2 4.14Å; C152-L208 WeakPolarHBondContact SG-CD1 3.34Å
153	V	54.9	Low	46.8	Very low	78 Å²	78	87.3 Å²	87.3	47%	0.473	48%	0.477	S	S	.	.			trans	-86.5	102.1	175.3	-173.6	0	0	0	0	108.2	N151 Q155	N151-V153 HydrophobicContact CB-CG2 3.99Å; N151-V153 PolarHBondContact O-N 2.87Å; V153-Q155 PolarHBondContact O-N 2.84Å
154	V	55.7	Low	48.3	Very low	21 Å²	21	86.7 Å²	86.7	13%	0.127	47%	0.47	C	S	.	.			trans	-67.1	122.4	164.9	-173.4	0	0	0	0	107.4	C152 A156 I159 V195 P206 L208	C152-V154 PolarHBondContact O-N 3.18Å; V154-A156 PolarHBondContact O-N 3.01Å; V154-I159 HydrophobicContact CB-CD1 4.21Å; V154-I159 HydrophobicContact CB-CG1 4.37Å; V154-I159 HydrophobicContact CG1-CD1 3.9Å; V154-I159 HydrophobicContact CG1-CG1 3.52Å; V154-V195 HydrophobicContact CG2-CB 4.41Å; V154-V195 HydrophobicContact CG2-CG1 3.29Å; V154-V195 HydrophobicContact CG2-CG2 4.18Å; V154-P206 HydrophobicContact CG1-CB 3.89Å; V154-P206 HydrophobicContact CG1-CG 3.4Å; V154-P206 VanDerWaalsContact CG1-CG 3.4Å; V154-L208 HydrophobicContact CG2-CD2 4.31Å
155	Q	54.6	Low	50.4	Low	65 Å²	65	81.4 Å²	81.4	30%	0.304	44%	0.443	S	S	.	.			trans	-62.1	115.9	178.4	-65.4	-132.1	8.4	0	0	109.2	V153 K157 E158 D209	V153-Q155 PolarHBondContact O-N 2.84Å; Q155-K157 HydrophobicContact CB-CD 4.32Å; Q155-K157 HydrophobicContact CB-CG 4.03Å; Q155-K157 PolarHBondContact O-N 2.84Å; Q155-K157 VanDerWaalsContact OE1-CD 3.31Å; Q155-E158 HydrophobicContact CB-CG 4.44Å; Q155-E158 PolarHBondContact O-N 2.97Å; Q155-D209 PolarHBondContact NE2-OD2 2.88Å
156	A	50	Low	52.5	Low	61 Å²	61	81.1 Å²	81.1	50%	0.504	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.9	-176.7	0	0	0	0	0	113	V154 E158	V154-A156 PolarHBondContact O-N 3.01Å; A156-E158 VanDerWaalsContact C-N 3.29Å; A156-E158 PolarHBondContact O-N 3.27Å
157	K	48.1	Very low	54.5	Low	79 Å²	79	75.9 Å²	75.9	34%	0.343	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.6	175.3	78.2	-167.3	-174.8	-164.8	0	112.7	Q155 P160 V686 P687	Q155-K157 HydrophobicContact CB-CD 4.32Å; Q155-K157 HydrophobicContact CB-CG 4.03Å; Q155-K157 PolarHBondContact O-N 2.84Å; Q155-K157 VanDerWaalsContact OE1-CD 3.31Å; K157-P160 WeakPolarHBondContact O-CD 3.44Å; K157-V686 WeakPolarHBondContact O-CG1 3.44Å; K157-V686 WeakPolarHBondContact O-CG2 3.36Å; K157-P687 HydrophobicContact CD-CG 4.41Å
158	E	53.5	Low	56.9	Low	48 Å²	48	70.3 Å²	70.3	22%	0.224	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-19.4	-171.8	-58.6	-176	144.3	0	0	113.2	Q155 A156 P160 L161 Y162 P206	Q155-E158 HydrophobicContact CB-CG 4.44Å; Q155-E158 PolarHBondContact O-N 2.97Å; A156-E158 VanDerWaalsContact C-N 3.29Å; A156-E158 PolarHBondContact O-N 3.27Å; E158-P160 VanDerWaalsContact C-N 3.33Å; E158-L161 VanDerWaalsContact O-CB 3.23Å; E158-L161 WeakPolarHBondContact O-CB 3.39Å; E158-L161 PolarHBondContact O-N 3.02Å; E158-Y162 WeakPolarHBondContact O-CD2 3.43Å; E158-P206 HydrophobicContact CB-CB 3.63Å; E158-P206 HydrophobicContact CB-CG 3.62Å; E158-P206 VanDerWaalsContact OE2-CB 3.31Å; E158-P206 WeakPolarHBondContact OE2-CB 3.1Å
159	I	57.8	Low	59.3	Low	34 Å²	34	66.2 Å²	66.2	17%	0.174	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-51.9	-39.5	-177.8	-66.8	-178	0	0	0	113.9	V154 L161 Y162 F166 P206	V154-I159 HydrophobicContact CB-CD1 4.21Å; V154-I159 HydrophobicContact CB-CG1 4.37Å; V154-I159 HydrophobicContact CG1-CD1 3.9Å; V154-I159 HydrophobicContact CG1-CG1 3.52Å; I159-L161 PolarHBondContact O-N 3.18Å; I159-L161 VanDerWaalsContact O-N 3.13Å; I159-Y162 CarbonylContact O-C 3.53Å; I159-Y162 PolarHBondContact O-N 3.4Å; I159-F166 HydrophobicContact CD1-CE2 4.44Å; I159-F166 HydrophobicContact CD1-CZ 3.94Å; I159-F166 HydrophobicContact CG2-CD2 4.12Å; I159-F166 HydrophobicContact CG2-CE2 3.28Å; I159-F166 HydrophobicContact CG2-CZ 3.85Å; I159-P206 HydrophobicContact CG1-CG 4.39Å
160	P	53.7	Low	61.2	Low	92 Å²	92	64 Å²	64	60%	0.597	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-60.1	-22.5	176	-25.3	35.6	0	0	0	114.5	K157 E158 Y162	K157-P160 WeakPolarHBondContact O-CD 3.44Å; E158-P160 VanDerWaalsContact C-N 3.33Å; P160-Y162 PolarHBondContact O-N 3.24Å
161	L	52.5	Low	62.9	Low	34 Å²	34	64.6 Å²	64.6	18%	0.178	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-76.5	-10.7	175.7	-57.2	174.1	0	0	0	112.8	E158 I159 K663 V686 I689	E158-L161 VanDerWaalsContact O-CB 3.23Å; E158-L161 WeakPolarHBondContact O-CB 3.39Å; E158-L161 PolarHBondContact O-N 3.02Å; I159-L161 PolarHBondContact O-N 3.18Å; I159-L161 VanDerWaalsContact O-N 3.13Å; L161-K663 HydrophobicContact CD2-CD 3.81Å; L161-V686 HydrophobicContact CD1-CG1 4.19Å; L161-I689 HydrophobicContact CD2-CG1 3.89Å
162	Y	59.9	Low	64.4	Low	67 Å²	67	58.1 Å²	58.1	26%	0.263	31%	0.306	S	S	.	.			trans	-131.3	66.5	-172.6	-67.7	-91	0	0	0	110.3	E158 I159 P160 E164 C165 S203 F204 C205 P206	E158-Y162 WeakPolarHBondContact O-CD2 3.43Å; I159-Y162 CarbonylContact O-C 3.53Å; I159-Y162 PolarHBondContact O-N 3.4Å; P160-Y162 PolarHBondContact O-N 3.24Å; Y162-E164 PolarHBondContact O-N 3.28Å; Y162-E164 VanDerWaalsContact O-N 3.12Å; Y162-C165 WeakPolarHBondContact O-CB 3.17Å; Y162-C165 PolarHBondContact O-N 3.44Å; Y162-S203 WeakPolarHBondContact CE1-O 3.39Å; Y162-F204 WeakPolarHBondContact CB-O 3.27Å; Y162-C205 VanDerWaalsContact CD1-C 3.49Å; Y162-C205 VanDerWaalsContact CE1-O 3.32Å; Y162-C205 WeakPolarHBondContact CE1-O 3.38Å; Y162-P206 HydrophobicContact CD2-CB 4.16Å; Y162-P206 HydrophobicContact CD2-CG 3.52Å; Y162-P206 HydrophobicContact CE2-CB 4Å; Y162-P206 HydrophobicContact CE2-CG 3.88Å; Y162-P206 HydrophobicContact CG-CG 4.15Å
163	P	61	Low	65.8	Low	106 Å²	106	62.4 Å²	62.4	69%	0.688	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.3	-172.3	25.4	-35.1	0	0	0	113.5
164	E	65.1	Low	67.2	Low	103 Å²	103	63.3 Å²	63.3	48%	0.481	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-3.1	177.2	-63.6	-67.9	167.8	0	0	113.4	Y162 F166 S167 K168 F204	Y162-E164 PolarHBondContact O-N 3.28Å; Y162-E164 VanDerWaalsContact O-N 3.12Å; E164-F166 PolarHBondContact O-N 2.86Å; E164-S167 WeakPolarHBondContact CA-OG 3.16Å; E164-S167 PolarHBondContact O-OG 3.09Å; E164-S167 PolarHBondContact OE2-OG 3.32Å; E164-K168 HydrophobicContact CB-CD 4.28Å; E164-K168 VanDerWaalsContact O-CB 3.28Å; E164-K168 WeakPolarHBondContact O-CB 3.41Å; E164-K168 WeakPolarHBondContact O-CG 3.49Å; E164-K168 PolarHBondContact O-N 3.4Å; E164-F204 HydrophobicContact CB-CD1 3.88Å
165	C	74.6	Confident	68.6	Low	2 Å²	2	67.7 Å²	67.7	1%	0.014	34%	0.34	C	S	.	.	H	α-helix	trans	-57.5	-55.1	-178.4	-179.6	0	0	0	0	110.4	Y162 K168 I169 F204 C205	Y162-C165 WeakPolarHBondContact O-CB 3.17Å; Y162-C165 PolarHBondContact O-N 3.44Å; C165-K168 PolarHBondContact O-N 3.04Å; C165-I169 VanDerWaalsContact O-CG1 3.24Å; C165-I169 WeakPolarHBondContact O-CG1 3.38Å; C165-I169 PolarHBondContact O-N 3.24Å; C165-F204 WeakPolarHBondContact CA-O 3.35Å; C165-F204 WeakPolarHBondContact CB-O 3.34Å; C165-F204 PolarHBondContact N-O 2.99Å; C165-C205 WeakPolarHBondContact CA-SG 3.21Å; C165-C205 HydrophobicContact CB-CB 4.03Å; C165-C205 WeakPolarHBondContact CB-SG 3.06Å; C165-C205 WeakPolarHBondContact SG-CB 3.28Å; C165-C205 CovalentContact SG-SG 2.04Å; C165-C205 PolarHBondContact SG-SG 2.86Å
166	F	74.7	Confident	70	Confident	114 Å²	114	66.5 Å²	66.5	50%	0.5	33%	0.333	S	S	.	.	H	α-helix	trans	-67.3	-42.4	-177.7	-70.5	-65	0	0	0	113.5	I159 E164 K168 I169 E170	I159-F166 HydrophobicContact CD1-CE2 4.44Å; I159-F166 HydrophobicContact CD1-CZ 3.94Å; I159-F166 HydrophobicContact CG2-CD2 4.12Å; I159-F166 HydrophobicContact CG2-CE2 3.28Å; I159-F166 HydrophobicContact CG2-CZ 3.85Å; E164-F166 PolarHBondContact O-N 2.86Å; F166-K168 PolarHBondContact O-N 3.11Å; F166-I169 PolarHBondContact O-N 3.34Å; F166-E170 WeakPolarHBondContact O-CG 3.45Å; F166-E170 PolarHBondContact O-N 2.91Å
167	S	73.2	Confident	71.6	Confident	55 Å²	55	70.7 Å²	70.7	39%	0.385	34%	0.342	S	S	.	.	H	α-helix	trans	-60.3	-37	178.5	59.4	0	0	0	0	111	E164 W171	E164-S167 WeakPolarHBondContact CA-OG 3.16Å; E164-S167 PolarHBondContact O-OG 3.09Å; E164-S167 PolarHBondContact OE2-OG 3.32Å; S167-W171 WeakPolarHBondContact O-CB 3.03Å; S167-W171 PolarHBondContact O-N 3.12Å
168	K	78.3	Confident	73.1	Confident	48 Å²	48	70.5 Å²	70.5	21%	0.209	35%	0.347	C	S	.	.	H	α-helix	trans	-79.4	-32.9	177.7	-75.9	176.3	150.2	-87.2	0	114.2	E164 C165 F166 E170 W171 L172 L198 E202 F204	E164-K168 HydrophobicContact CB-CD 4.28Å; E164-K168 VanDerWaalsContact O-CB 3.28Å; E164-K168 WeakPolarHBondContact O-CB 3.41Å; E164-K168 WeakPolarHBondContact O-CG 3.49Å; E164-K168 PolarHBondContact O-N 3.4Å; C165-K168 PolarHBondContact O-N 3.04Å; F166-K168 PolarHBondContact O-N 3.11Å; K168-E170 VanDerWaalsContact C-N 3.32Å; K168-W171 WeakPolarHBondContact O-CB 3.32Å; K168-W171 PolarHBondContact O-N 2.8Å; K168-L172 WeakPolarHBondContact O-CG 3.5Å; K168-L172 PolarHBondContact O-N 2.85Å; K168-L198 HydrophobicContact CB-CD1 3.73Å; K168-L198 HydrophobicContact CB-CD2 3.73Å; K168-L198 HydrophobicContact CB-CG 4.4Å; K168-L198 HydrophobicContact CD-CD2 4.15Å; K168-E202 IonicContact NZ-OE2 2.77Å; K168-E202 PolarHBondContact NZ-OE2 3.07Å; K168-F204 HydrophobicContact CD-CB 3.56Å; K168-F204 HydrophobicContact CD-CD1 3.56Å; K168-F204 HydrophobicContact CD-CD2 3.18Å; K168-F204 HydrophobicContact CD-CE1 4.01Å; K168-F204 HydrophobicContact CD-CE2 3.71Å; K168-F204 HydrophobicContact CD-CG 3.13Å; K168-F204 HydrophobicContact CD-CZ 4.1Å; K168-F204 VanDerWaalsContact NZ-CD2 3.35Å
169	I	80.8	Confident	74	Confident	6 Å²	6	70.6 Å²	70.6	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-58.8	-48.4	168.9	-69.2	165.8	0	0	0	109.1	C165 F166 W171 L172 R173 F194 V195 L198	C165-I169 VanDerWaalsContact O-CG1 3.24Å; C165-I169 WeakPolarHBondContact O-CG1 3.38Å; C165-I169 PolarHBondContact O-N 3.24Å; F166-I169 PolarHBondContact O-N 3.34Å; I169-W171 VanDerWaalsContact C-N 3.29Å; I169-W171 PolarHBondContact O-N 3.11Å; I169-L172 PolarHBondContact O-N 2.57Å; I169-R173 WeakPolarHBondContact O-CG 3.35Å; I169-R173 PolarHBondContact O-N 3.29Å; I169-F194 HydrophobicContact CG2-CD2 4.46Å; I169-V195 HydrophobicContact CD1-CG2 3.79Å; I169-V195 HydrophobicContact CG1-CG2 4.39Å; I169-L198 HydrophobicContact CB-CD1 4.29Å; I169-L198 HydrophobicContact CG1-CD1 3.46Å; I169-L198 VanDerWaalsContact CG1-CD1 3.46Å
170	E	79.5	Confident	74.8	Confident	102 Å²	102	72.7 Å²	72.7	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-60.8	-37.8	175.4	-70.5	-67.8	174.7	0	0	112.7	F166 K168 R173	F166-E170 WeakPolarHBondContact O-CG 3.45Å; F166-E170 PolarHBondContact O-N 2.91Å; K168-E170 VanDerWaalsContact C-N 3.32Å; E170-R173 IonicContact OE1-CZ 3.91Å; E170-R173 IonicContact OE1-NH1 3.55Å; E170-R173 PolarHBondContact OE1-NH1 2.84Å; E170-R173 IonicContact OE2-CZ 3Å; E170-R173 IonicContact OE2-NH1 3.92Å; E170-R173 PolarHBondContact OE2-NH1 2.92Å
171	W	81.3	Confident	75.5	Confident	89 Å²	89	68.7 Å²	68.7	34%	0.337	34%	0.339	S	S	.	.	H	α-helix	trans	-63.1	-46.3	175.3	-172	96.3	0	0	0	111.3	S167 K168 I169 T174 R175 Y182 P382	S167-W171 WeakPolarHBondContact O-CB 3.03Å; S167-W171 PolarHBondContact O-N 3.12Å; K168-W171 WeakPolarHBondContact O-CB 3.32Å; K168-W171 PolarHBondContact O-N 2.8Å; I169-W171 VanDerWaalsContact C-N 3.29Å; I169-W171 PolarHBondContact O-N 3.11Å; W171-T174 PolarHBondContact O-N 2.82Å; W171-T174 PolarHBondContact O-OG1 3.14Å; W171-T174 VanDerWaalsContact O-OG1 3.1Å; W171-R175 HydrophobicContact CD2-CB 4.3Å; W171-R175 HydrophobicContact CE3-CB 4.21Å; W171-R175 HydrophobicContact CH2-CB 3.97Å; W171-R175 HydrophobicContact CZ2-CB 4.09Å; W171-R175 HydrophobicContact CZ2-CG 4.48Å; W171-R175 HydrophobicContact CZ3-CB 4.03Å; W171-R175 WeakPolarHBondContact O-CB 3.46Å; W171-R175 PolarHBondContact O-N 2.95Å; W171-Y182 HydrophobicContact CH2-CE2 4.43Å; W171-Y182 WeakPolarHBondContact CH2-OH 3.17Å; W171-Y182 HydrophobicContact CZ3-CE1 4.42Å; W171-Y182 HydrophobicContact CZ3-CE2 4.33Å; W171-Y182 AromaticContact CZ3-CZ 3.71Å; W171-Y182 WeakPolarHBondContact CZ3-OH 3.47Å; W171-P382 HydrophobicContact CH2-CB 4.16Å; W171-P382 HydrophobicContact CH2-CG 4.15Å
172	L	84.5	Confident	76.6	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.016	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-40.2	179	-76.2	170.6	0	0	0	112.1	K168 I169 T174 R175 W176 Y182 I187 F194 Y197 L198	K168-L172 WeakPolarHBondContact O-CG 3.5Å; K168-L172 PolarHBondContact O-N 2.85Å; I169-L172 PolarHBondContact O-N 2.57Å; L172-T174 PolarHBondContact O-N 3.28Å; L172-R175 PolarHBondContact O-N 3.02Å; L172-R175 VanDerWaalsContact O-N 3.08Å; L172-W176 HydrophobicContact CD2-CB 4.35Å; L172-W176 VanDerWaalsContact O-CB 3.3Å; L172-W176 WeakPolarHBondContact O-CB 3.43Å; L172-W176 VanDerWaalsContact O-CD1 3.23Å; L172-W176 PolarHBondContact O-N 3.28Å; L172-Y182 HydrophobicContact CD2-CD1 3.87Å; L172-Y182 HydrophobicContact CD2-CE1 3.5Å; L172-Y182 VanDerWaalsContact CD2-CE1 3.5Å; L172-I187 HydrophobicContact CD1-CD1 4.35Å; L172-I187 HydrophobicContact CD2-CD1 4.04Å; L172-F194 HydrophobicContact CB-CB 4.34Å; L172-F194 HydrophobicContact CB-CD1 3.77Å; L172-F194 HydrophobicContact CB-CE1 4.2Å; L172-F194 HydrophobicContact CB-CG 3.97Å; L172-F194 HydrophobicContact CD1-CB 4Å; L172-F194 HydrophobicContact CD1-CD1 4.3Å; L172-F194 HydrophobicContact CD1-CG 4.42Å; L172-Y197 HydrophobicContact CD1-CD1 3.69Å; L172-Y197 HydrophobicContact CD1-CE1 4.24Å; L172-Y197 HydrophobicContact CD2-CD1 4.43Å; L172-Y197 HydrophobicContact CD2-CE1 4.32Å; L172-L198 HydrophobicContact CD1-CD1 3.77Å; L172-L198 HydrophobicContact CD1-CD2 3.94Å; L172-L198 HydrophobicContact CD1-CG 3.7Å
173	R	87.8	Confident	77.5	Confident	104 Å²	104	68.1 Å²	68.1	39%	0.392	34%	0.344	S	S	.	.	H	α-helix	trans	-49.3	-35.1	175.9	-76.8	178.3	-176.1	163.2	6.5	114	I169 E170 E191 F194	I169-R173 WeakPolarHBondContact O-CG 3.35Å; I169-R173 PolarHBondContact O-N 3.29Å; E170-R173 IonicContact OE1-CZ 3.91Å; E170-R173 IonicContact OE1-NH1 3.55Å; E170-R173 PolarHBondContact OE1-NH1 2.84Å; E170-R173 IonicContact OE2-CZ 3Å; E170-R173 IonicContact OE2-NH1 3.92Å; E170-R173 PolarHBondContact OE2-NH1 2.92Å; R173-E191 IonicContact CZ-OE1 3.78Å; R173-E191 IonicContact CZ-OE2 3.55Å; R173-E191 IonicContact NE-OE1 3.22Å; R173-E191 PolarHBondContact NE-OE1 2.86Å; R173-E191 IonicContact NE-OE2 3.71Å; R173-E191 VanDerWaalsContact NH2-CD 3.3Å; R173-E191 IonicContact NH2-OE1 3.05Å; R173-E191 PolarHBondContact NH2-OE1 3.13Å; R173-E191 IonicContact NH2-OE2 3.8Å; R173-E191 PolarHBondContact NH2-OE2 2.99Å; R173-F194 HydrophobicContact CB-CE2 4.37Å; R173-F194 HydrophobicContact CG-CD2 4.08Å; R173-F194 HydrophobicContact CG-CE2 3.63Å
174	T	84.7	Confident	77.8	Confident	96 Å²	96	69.8 Å²	69.8	59%	0.589	34%	0.342	S	S	*	.	H	α-helix	trans	-101.5	-12.5	-175.5	55.3	0	0	0	0	113.9	W171 L172	W171-T174 PolarHBondContact O-N 2.82Å; W171-T174 PolarHBondContact O-OG1 3.14Å; W171-T174 VanDerWaalsContact O-OG1 3.1Å; L172-T174 PolarHBondContact O-N 3.28Å
175	R	84.1	Confident	77.9	Confident	114 Å²	114	68.5 Å²	68.5	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-136.5	-1.5	-166.8	-68	173.7	176	87.6	-3.5	115	W171 L172 E177 T178	W171-R175 HydrophobicContact CD2-CB 4.3Å; W171-R175 HydrophobicContact CE3-CB 4.21Å; W171-R175 HydrophobicContact CH2-CB 3.97Å; W171-R175 HydrophobicContact CZ2-CB 4.09Å; W171-R175 HydrophobicContact CZ2-CG 4.48Å; W171-R175 HydrophobicContact CZ3-CB 4.03Å; W171-R175 WeakPolarHBondContact O-CB 3.46Å; W171-R175 PolarHBondContact O-N 2.95Å; L172-R175 PolarHBondContact O-N 3.02Å; L172-R175 VanDerWaalsContact O-N 3.08Å; R175-E177 PolarHBondContact O-N 2.89Å; R175-T178 HydrophobicContact CB-CG2 4.08Å; R175-T178 HydrophobicContact CG-CG2 4.34Å; R175-T178 VanDerWaalsContact O-CB 3.31Å; R175-T178 WeakPolarHBondContact O-CB 3.28Å; R175-T178 WeakPolarHBondContact O-CG2 3.44Å; R175-T178 PolarHBondContact O-N 3.12Å; R175-T178 PolarHBondContact O-OG1 3.17Å
176	W	83.9	Confident	77.7	Confident	40 Å²	40	70.9 Å²	70.9	15%	0.152	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-62.4	-28	-179.8	76.4	-82.7	0	0	0	113	L172 T178 Y182 V183 I187 G189 F194	L172-W176 HydrophobicContact CD2-CB 4.35Å; L172-W176 VanDerWaalsContact O-CB 3.3Å; L172-W176 WeakPolarHBondContact O-CB 3.43Å; L172-W176 VanDerWaalsContact O-CD1 3.23Å; L172-W176 PolarHBondContact O-N 3.28Å; W176-T178 VanDerWaalsContact C-N 3.26Å; W176-T178 PolarHBondContact O-N 3.21Å; W176-Y182 HydrophobicContact CB-CG 4.39Å; W176-Y182 VanDerWaalsContact O-CB 3.25Å; W176-Y182 WeakPolarHBondContact O-CB 3.37Å; W176-Y182 WeakPolarHBondContact O-CD2 2.88Å; W176-V183 HydrophobicContact CE3-CG2 4.3Å; W176-V183 HydrophobicContact CZ3-CG2 3.71Å; W176-I187 HydrophobicContact CB-CG2 3.96Å; W176-I187 HydrophobicContact CD2-CG2 3.93Å; W176-I187 HydrophobicContact CE3-CB 4.24Å; W176-I187 HydrophobicContact CE3-CG2 3.63Å; W176-I187 HydrophobicContact CG-CG2 4.09Å; W176-I187 HydrophobicContact CZ3-CG2 4.4Å; W176-I187 VanDerWaalsContact CZ3-O 3.25Å; W176-I187 WeakPolarHBondContact CZ3-O 3.47Å; W176-G189 VanDerWaalsContact CE2-CA 3.49Å; W176-F194 HydrophobicContact CB-CE1 4.02Å; W176-F194 AromaticContact CD1-CE1 3.84Å; W176-F194 AromaticContact CD1-CZ 3.86Å; W176-F194 HydrophobicContact CD2-CE1 4.4Å; W176-F194 AromaticContact CG-CE1 3.8Å; W176-F194 HydrophobicContact CG-CE1 3.8Å; W176-F194 HydrophobicContact CG-CZ 4.28Å
177	E	83.7	Confident	78	Confident	148 Å²	148	65.6 Å²	65.6	69%	0.692	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-77.7	-10.3	176.5	-61.4	179.2	-172.2	0	0	113.4	R175 H179	R175-E177 PolarHBondContact O-N 2.89Å; E177-H179 PolarHBondContact O-N 3.13Å; E177-H179 VanDerWaalsContact O-N 3.1Å
178	T	79.7	Confident	78.4	Confident	76 Å²	76	68.1 Å²	68.1	47%	0.466	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-65	-20.5	-174.4	56.7	0	0	0	0	112.8	R175 W176	R175-T178 HydrophobicContact CB-CG2 4.08Å; R175-T178 HydrophobicContact CG-CG2 4.34Å; R175-T178 VanDerWaalsContact O-CB 3.31Å; R175-T178 WeakPolarHBondContact O-CB 3.28Å; R175-T178 WeakPolarHBondContact O-CG2 3.44Å; R175-T178 PolarHBondContact O-N 3.12Å; R175-T178 PolarHBondContact O-OG1 3.17Å; W176-T178 VanDerWaalsContact C-N 3.26Å; W176-T178 PolarHBondContact O-N 3.21Å
179	H	73.6	Confident	78.6	Confident	49 Å²	49	67.2 Å²	67.2	23%	0.227	35%	0.354	C	S	.	.	S	Bend	trans	-147	132.1	-175.5	-60.1	87.2	0	0	0	111.5	E177 C181 Y182 S380 V381 P382 C383	E177-H179 PolarHBondContact O-N 3.13Å; E177-H179 VanDerWaalsContact O-N 3.1Å; H179-C181 PolarHBondContact O-N 3.25Å; H179-Y182 HydrophobicContact CB-CD2 4.12Å; H179-Y182 HydrophobicContact CB-CE2 4.2Å; H179-Y182 PolarHBondContact O-N 3.25Å; H179-S380 PolarHBondContact CD2-O 3.23Å; H179-S380 PolarHBondContact NE2-O 3.03Å; H179-V381 HydrophobicContact CB-CG1 3.99Å; H179-P382 WeakPolarHBondContact CD2-CD 3.27Å; H179-P382 WeakPolarHBondContact CE1-CD 3.41Å; H179-P382 WeakPolarHBondContact CE1-CG 3.26Å; H179-P382 WeakPolarHBondContact ND1-CD 3.14Å; H179-P382 WeakPolarHBondContact ND1-CG 3.43Å; H179-P382 WeakPolarHBondContact NE2-CD 3.3Å; H179-C383 WeakPolarHBondContact CB-SG 3.3Å
180	S	74.9	Confident	78.7	Confident	78 Å²	78	69 Å²	69	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-56	-29.3	-174.9	66.4	0	0	0	0	113.3	Y182 V183 E184	S180-Y182 VanDerWaalsContact C-N 3.25Å; S180-Y182 PolarHBondContact O-N 3.33Å; S180-V183 WeakPolarHBondContact O-CB 3.47Å; S180-V183 PolarHBondContact O-N 2.74Å; S180-E184 WeakPolarHBondContact CB-OE1 3.48Å; S180-E184 WeakPolarHBondContact O-CG 3.38Å; S180-E184 PolarHBondContact O-N 3.03Å; S180-E184 PolarHBondContact OG-OE1 2.95Å
181	C	68.6	Low	78.6	Confident	8 Å²	8	66.5 Å²	66.5	5%	0.054	36%	0.356	C	S	.	.	H	α-helix	trans	-71.3	-14.9	-174.5	78.3	0	0	0	0	115.2	H179 L185 V381 C383	H179-C181 PolarHBondContact O-N 3.25Å; C181-L185 VanDerWaalsContact O-CB 3.3Å; C181-L185 WeakPolarHBondContact O-CB 3.46Å; C181-L185 WeakPolarHBondContact O-CD1 3.23Å; C181-L185 WeakPolarHBondContact O-CG 3.42Å; C181-L185 PolarHBondContact O-N 2.97Å; C181-V381 HydrophobicContact CB-CG1 4.34Å; C181-V381 WeakPolarHBondContact SG-CG1 3.43Å; C181-C383 WeakPolarHBondContact CA-SG 3.48Å; C181-C383 HydrophobicContact CB-CB 4.07Å; C181-C383 WeakPolarHBondContact CB-SG 3.45Å; C181-C383 PolarHBondContact N-SG 3.22Å; C181-C383 WeakPolarHBondContact SG-CA 3.25Å; C181-C383 WeakPolarHBondContact SG-CB 3.36Å; C181-C383 CovalentContact SG-SG 2Å; C181-C383 PolarHBondContact SG-SG 2.68Å
182	Y	74.8	Confident	78.6	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-65.4	-45.6	167.1	-70.5	-64.2	0	0	0	110.5	W171 L172 W176 H179 S180 L185 G186 I187 Y197 P382 C383	W171-Y182 HydrophobicContact CH2-CE2 4.43Å; W171-Y182 WeakPolarHBondContact CH2-OH 3.17Å; W171-Y182 HydrophobicContact CZ3-CE1 4.42Å; W171-Y182 HydrophobicContact CZ3-CE2 4.33Å; W171-Y182 AromaticContact CZ3-CZ 3.71Å; W171-Y182 WeakPolarHBondContact CZ3-OH 3.47Å; L172-Y182 HydrophobicContact CD2-CD1 3.87Å; L172-Y182 HydrophobicContact CD2-CE1 3.5Å; L172-Y182 VanDerWaalsContact CD2-CE1 3.5Å; W176-Y182 HydrophobicContact CB-CG 4.39Å; W176-Y182 VanDerWaalsContact O-CB 3.25Å; W176-Y182 WeakPolarHBondContact O-CB 3.37Å; W176-Y182 WeakPolarHBondContact O-CD2 2.88Å; H179-Y182 HydrophobicContact CB-CD2 4.12Å; H179-Y182 HydrophobicContact CB-CE2 4.2Å; H179-Y182 PolarHBondContact O-N 3.25Å; S180-Y182 VanDerWaalsContact C-N 3.25Å; S180-Y182 PolarHBondContact O-N 3.33Å; Y182-L185 CarbonylContact O-C 3.57Å; Y182-L185 PolarHBondContact O-N 2.65Å; Y182-G186 PolarHBondContact O-N 2.89Å; Y182-I187 HydrophobicContact CD1-CD1 3.53Å; Y182-I187 HydrophobicContact CE1-CD1 4.43Å; Y182-I187 HydrophobicContact CG-CD1 4.19Å; Y182-I187 VanDerWaalsContact O-CB 3.25Å; Y182-I187 WeakPolarHBondContact O-CB 3.48Å; Y182-I187 WeakPolarHBondContact O-CG1 3.09Å; Y182-I187 PolarHBondContact O-N 3.45Å; Y182-Y197 HydrophobicContact CD1-CE1 4.39Å; Y182-Y197 HydrophobicContact CD1-CE2 4.42Å; Y182-Y197 AromaticContact CE1-CE1 3.98Å; Y182-Y197 HydrophobicContact CE1-CE1 3.98Å; Y182-Y197 AromaticContact CE1-CZ 3.82Å; Y182-P382 HydrophobicContact CE2-CG 4.1Å; Y182-P382 WeakPolarHBondContact OH-CB 3.35Å; Y182-P382 WeakPolarHBondContact OH-CG 3.22Å; Y182-C383 HydrophobicContact CD1-CB 3.37Å; Y182-C383 HydrophobicContact CD2-CB 3.57Å; Y182-C383 HydrophobicContact CE1-CB 3.33Å; Y182-C383 HydrophobicContact CE2-CB 3.55Å; Y182-C383 HydrophobicContact CG-CB 3.5Å; Y182-C383 VanDerWaalsContact CG-CB 3.5Å; Y182-C383 PolarHBondContact N-SG 3.01Å
183	V	78.4	Confident	78.6	Confident	88 Å²	88	63.8 Å²	63.8	53%	0.533	35%	0.35	S	S	.	.	H	α-helix	trans	-62.5	-43.8	175.4	-177.3	0	0	0	0	110.5	W176 S180 L185 G186 I187	W176-V183 HydrophobicContact CE3-CG2 4.3Å; W176-V183 HydrophobicContact CZ3-CG2 3.71Å; S180-V183 WeakPolarHBondContact O-CB 3.47Å; S180-V183 PolarHBondContact O-N 2.74Å; V183-L185 VanDerWaalsContact C-N 3.26Å; V183-L185 PolarHBondContact O-N 2.95Å; V183-G186 PolarHBondContact O-N 3.12Å; V183-I187 WeakPolarHBondContact CA-O 3.48Å
184	E	67.4	Low	78.5	Confident	140 Å²	140	59 Å²	59	65%	0.654	33%	0.332	S	S	*	.	H	α-helix	trans	-62.8	-31.6	177.8	-62.8	162.6	-154.7	0	0	112.6	S180 G186	S180-E184 WeakPolarHBondContact CB-OE1 3.48Å; S180-E184 WeakPolarHBondContact O-CG 3.38Å; S180-E184 PolarHBondContact O-N 3.03Å; S180-E184 PolarHBondContact OG-OE1 2.95Å; E184-G186 PolarHBondContact O-N 2.68Å
185	L	67	Low	78.3	Confident	77 Å²	77	54.5 Å²	54.5	40%	0.403	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	8.8	175.7	-67.7	172.6	0	0	0	113.3	C181 Y182 V183 Y197 I201 C383	C181-L185 VanDerWaalsContact O-CB 3.3Å; C181-L185 WeakPolarHBondContact O-CB 3.46Å; C181-L185 WeakPolarHBondContact O-CD1 3.23Å; C181-L185 WeakPolarHBondContact O-CG 3.42Å; C181-L185 PolarHBondContact O-N 2.97Å; Y182-L185 CarbonylContact O-C 3.57Å; Y182-L185 PolarHBondContact O-N 2.65Å; V183-L185 VanDerWaalsContact C-N 3.26Å; V183-L185 PolarHBondContact O-N 2.95Å; L185-Y197 HydrophobicContact CB-CD2 4.46Å; L185-Y197 HydrophobicContact CD1-CD2 4.44Å; L185-Y197 HydrophobicContact CD1-CE2 3.74Å; L185-I201 HydrophobicContact CB-CD1 4.16Å; L185-I201 HydrophobicContact CD1-CD1 4.26Å; L185-I201 HydrophobicContact CD2-CD1 3.94Å; L185-I201 HydrophobicContact CG-CD1 4.35Å; L185-C383 WeakPolarHBondContact CD1-O 3.43Å
186	G	69.9	Low	78	Confident	52 Å²	52	53 Å²	53	54%	0.536	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	16	174.6	0	0	0	0	0	114.8	Y182 V183 E184 S193	Y182-G186 PolarHBondContact O-N 2.89Å; V183-G186 PolarHBondContact O-N 3.12Å; E184-G186 PolarHBondContact O-N 2.68Å; G186-S193 WeakPolarHBondContact O-CB 3.44Å
187	I	82.4	Confident	77.6	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.015	29%	0.293	C	S	.	.			trans	-77.2	121.1	167.4	-55.3	-169.3	0	0	0	109.2	L172 W176 Y182 V183 F194 Y197	L172-I187 HydrophobicContact CD1-CD1 4.35Å; L172-I187 HydrophobicContact CD2-CD1 4.04Å; W176-I187 HydrophobicContact CB-CG2 3.96Å; W176-I187 HydrophobicContact CD2-CG2 3.93Å; W176-I187 HydrophobicContact CE3-CB 4.24Å; W176-I187 HydrophobicContact CE3-CG2 3.63Å; W176-I187 HydrophobicContact CG-CG2 4.09Å; W176-I187 HydrophobicContact CZ3-CG2 4.4Å; W176-I187 VanDerWaalsContact CZ3-O 3.25Å; W176-I187 WeakPolarHBondContact CZ3-O 3.47Å; Y182-I187 HydrophobicContact CD1-CD1 3.53Å; Y182-I187 HydrophobicContact CE1-CD1 4.43Å; Y182-I187 HydrophobicContact CG-CD1 4.19Å; Y182-I187 VanDerWaalsContact O-CB 3.25Å; Y182-I187 WeakPolarHBondContact O-CB 3.48Å; Y182-I187 WeakPolarHBondContact O-CG1 3.09Å; Y182-I187 PolarHBondContact O-N 3.45Å; V183-I187 WeakPolarHBondContact CA-O 3.48Å; I187-F194 HydrophobicContact CG2-CD1 3.59Å; I187-F194 HydrophobicContact CG2-CE1 3.47Å; I187-F194 VanDerWaalsContact CG2-CE1 3.47Å; I187-Y197 HydrophobicContact CD1-CD1 3.91Å; I187-Y197 HydrophobicContact CD1-CD2 3.88Å; I187-Y197 HydrophobicContact CD1-CE1 4.45Å; I187-Y197 HydrophobicContact CD1-CE2 4.46Å; I187-Y197 HydrophobicContact CD1-CG 3.57Å; I187-Y197 HydrophobicContact CG1-CD2 4.28Å; I187-Y197 HydrophobicContact CG1-CG 4.2Å
188	D	82	Confident	77.3	Confident	107 Å²	107	44.4 Å²	44.4	57%	0.572	26%	0.26	S	S	*	.			trans	-114.4	8.5	-176.6	64.4	-3.4	0	0	0	112.9	S190 S193	D188-S190 VanDerWaalsContact C-N 3.31Å; D188-S190 WeakPolarHBondContact OD1-CB 3.34Å; D188-S190 PolarHBondContact OD1-N 3.11Å; D188-S190 PolarHBondContact OD1-OG 3.33Å; D188-S190 PolarHBondContact OD2-OG 2.97Å; D188-S193 PolarHBondContact N-OG 3.29Å; D188-S193 WeakPolarHBondContact OD1-CB 3.35Å; D188-S193 PolarHBondContact OD1-OG 2.89Å
189	G	81.5	Confident	77	Confident	30 Å²	30	40.8 Å²	40.8	31%	0.309	24%	0.238	S	C	.	.	S	Bend	trans	84.5	-3	-175.1	0	0	0	0	0	114.6	W176 F194	W176-G189 VanDerWaalsContact CE2-CA 3.49Å; G189-F194 WeakPolarHBondContact O-CZ 3.37Å
190	S	82.9	Confident	76.7	Confident	43 Å²	43	42 Å²	42	30%	0.301	24%	0.243	S	C	.	.	S	Bend	trans	-78.1	148.7	173.2	75.7	0	0	0	0	112.4	D188 C192 S193 F194	D188-S190 VanDerWaalsContact C-N 3.31Å; D188-S190 WeakPolarHBondContact OD1-CB 3.34Å; D188-S190 PolarHBondContact OD1-N 3.11Å; D188-S190 PolarHBondContact OD1-OG 3.33Å; D188-S190 PolarHBondContact OD2-OG 2.97Å; S190-C192 PolarHBondContact O-N 3.05Å; S190-C192 VanDerWaalsContact O-N 3.16Å; S190-S193 PolarHBondContact O-N 3.48Å; S190-S193 VanDerWaalsContact O-N 3.14Å; S190-S193 PolarHBondContact O-OG 2.91Å; S190-S193 PolarHBondContact OG-N 2.73Å; S190-S193 PolarHBondContact OG-OG 3.5Å; S190-F194 WeakPolarHBondContact O-CD2 3.23Å; S190-F194 WeakPolarHBondContact O-CG 3.5Å; S190-F194 PolarHBondContact O-N 3.29Å
191	E	77.9	Confident	76.2	Confident	50 Å²	50	40.5 Å²	40.5	23%	0.234	23%	0.229	C	C	.	.	H	α-helix	trans	-53.9	-36.4	173.2	-72	-68.5	117.1	0	0	112.3	R173 F194 V195	R173-E191 IonicContact CZ-OE1 3.78Å; R173-E191 IonicContact CZ-OE2 3.55Å; R173-E191 IonicContact NE-OE1 3.22Å; R173-E191 PolarHBondContact NE-OE1 2.86Å; R173-E191 IonicContact NE-OE2 3.71Å; R173-E191 VanDerWaalsContact NH2-CD 3.3Å; R173-E191 IonicContact NH2-OE1 3.05Å; R173-E191 PolarHBondContact NH2-OE1 3.13Å; R173-E191 IonicContact NH2-OE2 3.8Å; R173-E191 PolarHBondContact NH2-OE2 2.99Å; E191-F194 PolarHBondContact O-N 3.44Å; E191-V195 VanDerWaalsContact O-CG2 3.3Å; E191-V195 WeakPolarHBondContact O-CG2 3.29Å; E191-V195 PolarHBondContact O-N 3.24Å
192	C	80.7	Confident	76.2	Confident	24 Å²	24	41.2 Å²	41.2	16%	0.162	23%	0.232	C	C	.	.	H	α-helix	trans	-67.7	-40.6	-178.6	-171.1	0	0	0	0	111.5	E150 C152 S190 V195 R196	E150-C192 PolarHBondContact O-SG 2.97Å; C152-C192 HydrophobicContact CB-CB 3.59Å; C152-C192 WeakPolarHBondContact CB-SG 3.43Å; C152-C192 VanDerWaalsContact SG-C 3.55Å; C152-C192 WeakPolarHBondContact SG-CA 3.45Å; C152-C192 WeakPolarHBondContact SG-CB 3.31Å; C152-C192 PolarHBondContact SG-O 2.81Å; C152-C192 CovalentContact SG-SG 2.02Å; C152-C192 PolarHBondContact SG-SG 2.75Å; S190-C192 PolarHBondContact O-N 3.05Å; S190-C192 VanDerWaalsContact O-N 3.16Å; C192-V195 PolarHBondContact O-N 3.29Å; C192-R196 VanDerWaalsContact O-CB 3.25Å; C192-R196 WeakPolarHBondContact O-CB 3.3Å; C192-R196 PolarHBondContact O-N 3.1Å
193	S	84.2	Confident	75.9	Confident	11 Å²	11	44.5 Å²	44.5	8%	0.077	26%	0.255	C	S	.	.	H	α-helix	trans	-69.7	-33	177.3	69.8	0	0	0	0	112.6	G186 D188 S190 Y197	G186-S193 WeakPolarHBondContact O-CB 3.44Å; D188-S193 PolarHBondContact N-OG 3.29Å; D188-S193 WeakPolarHBondContact OD1-CB 3.35Å; D188-S193 PolarHBondContact OD1-OG 2.89Å; S190-S193 PolarHBondContact O-N 3.48Å; S190-S193 VanDerWaalsContact O-N 3.14Å; S190-S193 PolarHBondContact O-OG 2.91Å; S190-S193 PolarHBondContact OG-N 2.73Å; S190-S193 PolarHBondContact OG-OG 3.5Å; S193-Y197 VanDerWaalsContact O-CB 3.3Å; S193-Y197 WeakPolarHBondContact O-CB 3.33Å; S193-Y197 PolarHBondContact O-N 3Å
194	F	85.3	Confident	75.6	Confident	3 Å²	3	43.4 Å²	43.4	1%	0.013	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-49.9	170.8	-54.3	-30.6	0	0	0	112.2	I169 L172 R173 W176 I187 G189 S190 E191 R196 Y197 L198	I169-F194 HydrophobicContact CG2-CD2 4.46Å; L172-F194 HydrophobicContact CB-CB 4.34Å; L172-F194 HydrophobicContact CB-CD1 3.77Å; L172-F194 HydrophobicContact CB-CE1 4.2Å; L172-F194 HydrophobicContact CB-CG 3.97Å; L172-F194 HydrophobicContact CD1-CB 4Å; L172-F194 HydrophobicContact CD1-CD1 4.3Å; L172-F194 HydrophobicContact CD1-CG 4.42Å; R173-F194 HydrophobicContact CB-CE2 4.37Å; R173-F194 HydrophobicContact CG-CD2 4.08Å; R173-F194 HydrophobicContact CG-CE2 3.63Å; W176-F194 HydrophobicContact CB-CE1 4.02Å; W176-F194 AromaticContact CD1-CE1 3.84Å; W176-F194 AromaticContact CD1-CZ 3.86Å; W176-F194 HydrophobicContact CD2-CE1 4.4Å; W176-F194 AromaticContact CG-CE1 3.8Å; W176-F194 HydrophobicContact CG-CE1 3.8Å; W176-F194 HydrophobicContact CG-CZ 4.28Å; I187-F194 HydrophobicContact CG2-CD1 3.59Å; I187-F194 HydrophobicContact CG2-CE1 3.47Å; I187-F194 VanDerWaalsContact CG2-CE1 3.47Å; G189-F194 WeakPolarHBondContact O-CZ 3.37Å; S190-F194 WeakPolarHBondContact O-CD2 3.23Å; S190-F194 WeakPolarHBondContact O-CG 3.5Å; S190-F194 PolarHBondContact O-N 3.29Å; E191-F194 PolarHBondContact O-N 3.44Å; F194-R196 VanDerWaalsContact C-N 3.34Å; F194-R196 PolarHBondContact O-N 2.99Å; F194-Y197 PolarHBondContact O-N 2.9Å; F194-L198 WeakPolarHBondContact O-CB 3.16Å; F194-L198 VanDerWaalsContact O-CG 3.27Å; F194-L198 WeakPolarHBondContact O-CG 3.26Å; F194-L198 PolarHBondContact O-N 2.74Å
195	V	81.6	Confident	75.7	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-48.6	178.4	172.5	0	0	0	0	109.5	C152 V154 I169 E191 C192 Y197 L198 S199 L208	C152-V195 HydrophobicContact CB-CB 4.4Å; C152-V195 HydrophobicContact CB-CG1 4.45Å; V154-V195 HydrophobicContact CG2-CB 4.41Å; V154-V195 HydrophobicContact CG2-CG1 3.29Å; V154-V195 HydrophobicContact CG2-CG2 4.18Å; I169-V195 HydrophobicContact CD1-CG2 3.79Å; I169-V195 HydrophobicContact CG1-CG2 4.39Å; E191-V195 VanDerWaalsContact O-CG2 3.3Å; E191-V195 WeakPolarHBondContact O-CG2 3.29Å; E191-V195 PolarHBondContact O-N 3.24Å; C192-V195 PolarHBondContact O-N 3.29Å; V195-Y197 PolarHBondContact O-N 2.66Å; V195-L198 CarbonylContact O-C 3.59Å; V195-L198 PolarHBondContact O-N 2.82Å; V195-L198 VanDerWaalsContact O-N 3.14Å; V195-S199 WeakPolarHBondContact O-CB 3.24Å; V195-S199 PolarHBondContact O-N 2.59Å; V195-S199 PolarHBondContact O-OG 2.78Å; V195-L208 HydrophobicContact CG1-CD1 4.11Å; V195-L208 HydrophobicContact CG1-CD2 3.69Å; V195-L208 HydrophobicContact CG1-CG 4.12Å
196	R	77.1	Confident	75.7	Confident	83 Å²	83	33.1 Å²	33.1	31%	0.313	19%	0.193	S	C	.	.	H	α-helix	trans	-57.6	-46.5	178.7	-170.7	178.7	-171.2	163.5	3.8	112.3	E150 C192 F194 L198 S199 E200 L208	E150-R196 IonicContact OE2-NH1 2.71Å; C192-R196 VanDerWaalsContact O-CB 3.25Å; C192-R196 WeakPolarHBondContact O-CB 3.3Å; C192-R196 PolarHBondContact O-N 3.1Å; F194-R196 VanDerWaalsContact C-N 3.34Å; F194-R196 PolarHBondContact O-N 2.99Å; R196-L198 PolarHBondContact O-N 3.03Å; R196-S199 PolarHBondContact O-N 2.66Å; R196-E200 VanDerWaalsContact CG-CD 3.43Å; R196-E200 HydrophobicContact CG-CG 4.09Å; R196-E200 WeakPolarHBondContact CG-OE2 3.34Å; R196-E200 IonicContact CZ-OE2 3.89Å; R196-E200 IonicContact NE-OE1 3.93Å; R196-E200 IonicContact NE-OE2 2.89Å; R196-E200 PolarHBondContact NE-OE2 3.09Å; R196-E200 IonicContact NH2-OE2 2.81Å; R196-E200 VanDerWaalsContact O-CB 3.26Å; R196-E200 WeakPolarHBondContact O-CB 3.48Å; R196-E200 WeakPolarHBondContact O-CG 3.49Å; R196-E200 PolarHBondContact O-N 3.07Å; R196-L208 HydrophobicContact CB-CD1 3.96Å; R196-L208 HydrophobicContact CG-CD1 4.31Å
197	Y	75.8	Confident	75.6	Confident	6 Å²	6	37.1 Å²	37.1	2%	0.024	20%	0.198	C	C	.	.	I	π-helix	trans	-58.6	-46.8	175.1	174.9	-100.2	0	0	0	112	L172 Y182 L185 I187 S193 F194 V195 S199 I201 E202 C383	L172-Y197 HydrophobicContact CD1-CD1 3.69Å; L172-Y197 HydrophobicContact CD1-CE1 4.24Å; L172-Y197 HydrophobicContact CD2-CD1 4.43Å; L172-Y197 HydrophobicContact CD2-CE1 4.32Å; Y182-Y197 HydrophobicContact CD1-CE1 4.39Å; Y182-Y197 HydrophobicContact CD1-CE2 4.42Å; Y182-Y197 AromaticContact CE1-CE1 3.98Å; Y182-Y197 HydrophobicContact CE1-CE1 3.98Å; Y182-Y197 AromaticContact CE1-CZ 3.82Å; L185-Y197 HydrophobicContact CB-CD2 4.46Å; L185-Y197 HydrophobicContact CD1-CD2 4.44Å; L185-Y197 HydrophobicContact CD1-CE2 3.74Å; I187-Y197 HydrophobicContact CD1-CD1 3.91Å; I187-Y197 HydrophobicContact CD1-CD2 3.88Å; I187-Y197 HydrophobicContact CD1-CE1 4.45Å; I187-Y197 HydrophobicContact CD1-CE2 4.46Å; I187-Y197 HydrophobicContact CD1-CG 3.57Å; I187-Y197 HydrophobicContact CG1-CD2 4.28Å; I187-Y197 HydrophobicContact CG1-CG 4.2Å; S193-Y197 VanDerWaalsContact O-CB 3.3Å; S193-Y197 WeakPolarHBondContact O-CB 3.33Å; S193-Y197 PolarHBondContact O-N 3Å; F194-Y197 PolarHBondContact O-N 2.9Å; V195-Y197 PolarHBondContact O-N 2.66Å; Y197-S199 VanDerWaalsContact C-N 3.32Å; Y197-S199 PolarHBondContact O-N 2.99Å; Y197-I201 HydrophobicContact CD2-CB 4.02Å; Y197-I201 HydrophobicContact CD2-CD1 3.88Å; Y197-I201 HydrophobicContact CD2-CG1 4.22Å; Y197-I201 HydrophobicContact CD2-CG2 4.34Å; Y197-I201 HydrophobicContact CE2-CB 4.17Å; Y197-I201 HydrophobicContact CE2-CD1 4.24Å; Y197-I201 HydrophobicContact CE2-CG2 3.99Å; Y197-I201 WeakPolarHBondContact O-CA 3.37Å; Y197-I201 VanDerWaalsContact O-CB 3.25Å; Y197-I201 WeakPolarHBondContact O-CB 3.25Å; Y197-I201 PolarHBondContact O-N 3.38Å; Y197-E202 HydrophobicContact CD1-CG 4.13Å; Y197-E202 HydrophobicContact CE1-CG 3.43Å; Y197-E202 VanDerWaalsContact CE1-CG 3.43Å; Y197-E202 WeakPolarHBondContact CE1-OE1 3.3Å; Y197-E202 HydrophobicContact CE2-CG 4.49Å; Y197-E202 PolarHBondContact O-N 2.98Å; Y197-E202 PolarHBondContact OH-OE1 3.17Å; Y197-E202 VanDerWaalsContact OH-OE1 3.12Å; Y197-C383 PolarHBondContact OH-O 3.31Å; Y197-C383 VanDerWaalsContact OH-O 3.05Å
198	L	78	Confident	74.9	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.203	C	C	.	.	I	π-helix	trans	-72.6	-25.4	-179.9	-65.7	171.9	0	0	0	113	K168 I169 L172 F194 V195 R196 E202 S203 F204 C205	K168-L198 HydrophobicContact CB-CD1 3.73Å; K168-L198 HydrophobicContact CB-CD2 3.73Å; K168-L198 HydrophobicContact CB-CG 4.4Å; K168-L198 HydrophobicContact CD-CD2 4.15Å; I169-L198 HydrophobicContact CB-CD1 4.29Å; I169-L198 HydrophobicContact CG1-CD1 3.46Å; I169-L198 VanDerWaalsContact CG1-CD1 3.46Å; L172-L198 HydrophobicContact CD1-CD1 3.77Å; L172-L198 HydrophobicContact CD1-CD2 3.94Å; L172-L198 HydrophobicContact CD1-CG 3.7Å; F194-L198 WeakPolarHBondContact O-CB 3.16Å; F194-L198 VanDerWaalsContact O-CG 3.27Å; F194-L198 WeakPolarHBondContact O-CG 3.26Å; F194-L198 PolarHBondContact O-N 2.74Å; V195-L198 CarbonylContact O-C 3.59Å; V195-L198 PolarHBondContact O-N 2.82Å; V195-L198 VanDerWaalsContact O-N 3.14Å; R196-L198 PolarHBondContact O-N 3.03Å; L198-E202 HydrophobicContact CD2-CB 4.29Å; L198-E202 HydrophobicContact CD2-CG 4.45Å; L198-E202 WeakPolarHBondContact CD2-OE2 3.25Å; L198-S203 CarbonylContact O-C 3.42Å; L198-S203 VanDerWaalsContact O-CA 3.23Å; L198-S203 WeakPolarHBondContact O-CA 3.44Å; L198-S203 PolarHBondContact O-N 2.87Å; L198-F204 HydrophobicContact CB-CB 4.42Å; L198-F204 HydrophobicContact CD2-CB 4.16Å; L198-F204 HydrophobicContact CD2-CD2 4.18Å; L198-F204 PolarHBondContact O-N 3.32Å; L198-C205 HydrophobicContact CB-CB 3.94Å; L198-C205 VanDerWaalsContact CB-SG 3.5Å; L198-C205 PolarHBondContact O-N 3.23Å
199	S	72.7	Confident	73.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-84.1	-43.5	178.6	-68	0	0	0	0	112.9	V195 R196 Y197 C205 P206	V195-S199 WeakPolarHBondContact O-CB 3.24Å; V195-S199 PolarHBondContact O-N 2.59Å; V195-S199 PolarHBondContact O-OG 2.78Å; R196-S199 PolarHBondContact O-N 2.66Å; Y197-S199 VanDerWaalsContact C-N 3.32Å; Y197-S199 PolarHBondContact O-N 2.99Å; S199-C205 WeakPolarHBondContact CA-O 3.41Å; S199-C205 VanDerWaalsContact OG-CB 3.23Å; S199-C205 WeakPolarHBondContact OG-CB 3.49Å; S199-P206 WeakPolarHBondContact CB-O 3.33Å; S199-P206 PolarHBondContact OG-O 3.36Å
200	E	67.8	Low	72	Confident	73 Å²	73	41 Å²	41	34%	0.341	22%	0.217	S	C	.	.	I	π-helix	trans	-100.5	-27.2	-169.9	-60.1	-177.4	174.4	0	0	113.2	R196	R196-E200 VanDerWaalsContact CG-CD 3.43Å; R196-E200 HydrophobicContact CG-CG 4.09Å; R196-E200 WeakPolarHBondContact CG-OE2 3.34Å; R196-E200 IonicContact CZ-OE2 3.89Å; R196-E200 IonicContact NE-OE1 3.93Å; R196-E200 IonicContact NE-OE2 2.89Å; R196-E200 PolarHBondContact NE-OE2 3.09Å; R196-E200 IonicContact NH2-OE2 2.81Å; R196-E200 VanDerWaalsContact O-CB 3.26Å; R196-E200 WeakPolarHBondContact O-CB 3.48Å; R196-E200 WeakPolarHBondContact O-CG 3.49Å; R196-E200 PolarHBondContact O-N 3.07Å
201	I	64.6	Low	70	Confident	47 Å²	47	45.2 Å²	45.2	24%	0.241	23%	0.226	C	C	.	.	I	π-helix	trans	-107.4	-61.6	-176.7	-54.1	-161.1	0	0	0	111.1	L185 Y197	L185-I201 HydrophobicContact CB-CD1 4.16Å; L185-I201 HydrophobicContact CD1-CD1 4.26Å; L185-I201 HydrophobicContact CD2-CD1 3.94Å; L185-I201 HydrophobicContact CG-CD1 4.35Å; Y197-I201 HydrophobicContact CD2-CB 4.02Å; Y197-I201 HydrophobicContact CD2-CD1 3.88Å; Y197-I201 HydrophobicContact CD2-CG1 4.22Å; Y197-I201 HydrophobicContact CD2-CG2 4.34Å; Y197-I201 HydrophobicContact CE2-CB 4.17Å; Y197-I201 HydrophobicContact CE2-CD1 4.24Å; Y197-I201 HydrophobicContact CE2-CG2 3.99Å; Y197-I201 WeakPolarHBondContact O-CA 3.37Å; Y197-I201 VanDerWaalsContact O-CB 3.25Å; Y197-I201 WeakPolarHBondContact O-CB 3.25Å; Y197-I201 PolarHBondContact O-N 3.38Å
202	E	68.5	Low	68.1	Low	24 Å²	24	49.5 Å²	49.5	11%	0.112	24%	0.244	C	C	.	.	S	Bend	trans	-87.7	-10.3	-174.3	-61.1	-159.9	154	0	0	114.5	K168 Y197 L198 F204 V385	K168-E202 IonicContact NZ-OE2 2.77Å; K168-E202 PolarHBondContact NZ-OE2 3.07Å; Y197-E202 HydrophobicContact CD1-CG 4.13Å; Y197-E202 HydrophobicContact CE1-CG 3.43Å; Y197-E202 VanDerWaalsContact CE1-CG 3.43Å; Y197-E202 WeakPolarHBondContact CE1-OE1 3.3Å; Y197-E202 HydrophobicContact CE2-CG 4.49Å; Y197-E202 PolarHBondContact O-N 2.98Å; Y197-E202 PolarHBondContact OH-OE1 3.17Å; Y197-E202 VanDerWaalsContact OH-OE1 3.12Å; L198-E202 HydrophobicContact CD2-CB 4.29Å; L198-E202 HydrophobicContact CD2-CG 4.45Å; L198-E202 WeakPolarHBondContact CD2-OE2 3.25Å; E202-F204 HydrophobicContact CB-CD2 3.28Å; E202-F204 HydrophobicContact CB-CE2 3.59Å; E202-F204 HydrophobicContact CB-CG 4.42Å; E202-F204 HydrophobicContact CG-CD2 4.23Å; E202-F204 HydrophobicContact CG-CE2 4.31Å; E202-F204 WeakPolarHBondContact O-CD2 3.39Å; E202-F204 PolarHBondContact O-N 2.72Å; E202-F204 WeakPolarHBondContact OE2-CD2 3.2Å; E202-F204 WeakPolarHBondContact OE2-CE2 3.4Å; E202-V385 HydrophobicContact CG-CB 4.08Å; E202-V385 HydrophobicContact CG-CG2 3.77Å; E202-V385 WeakPolarHBondContact OE1-CG2 3.41Å
203	S	68.6	Low	66.1	Low	71 Å²	71	55.8 Å²	55.8	50%	0.497	27%	0.269	S	S	.	.			trans	55.2	29.1	-177.8	-52.6	0	0	0	0	114.8	Y162 L198	Y162-S203 WeakPolarHBondContact CE1-O 3.39Å; L198-S203 CarbonylContact O-C 3.42Å; L198-S203 VanDerWaalsContact O-CA 3.23Å; L198-S203 WeakPolarHBondContact O-CA 3.44Å; L198-S203 PolarHBondContact O-N 2.87Å
204	F	71	Confident	63.9	Low	65 Å²	65	62.1 Å²	62.1	29%	0.285	30%	0.299	S	S	.	.			trans	-89.7	-7.7	171.8	-68.2	-70	0	0	0	113.7	Y162 E164 C165 K168 L198 E202	Y162-F204 WeakPolarHBondContact CB-O 3.27Å; E164-F204 HydrophobicContact CB-CD1 3.88Å; C165-F204 WeakPolarHBondContact CA-O 3.35Å; C165-F204 WeakPolarHBondContact CB-O 3.34Å; C165-F204 PolarHBondContact N-O 2.99Å; K168-F204 HydrophobicContact CD-CB 3.56Å; K168-F204 HydrophobicContact CD-CD1 3.56Å; K168-F204 HydrophobicContact CD-CD2 3.18Å; K168-F204 HydrophobicContact CD-CE1 4.01Å; K168-F204 HydrophobicContact CD-CE2 3.71Å; K168-F204 HydrophobicContact CD-CG 3.13Å; K168-F204 HydrophobicContact CD-CZ 4.1Å; K168-F204 VanDerWaalsContact NZ-CD2 3.35Å; L198-F204 HydrophobicContact CB-CB 4.42Å; L198-F204 HydrophobicContact CD2-CB 4.16Å; L198-F204 HydrophobicContact CD2-CD2 4.18Å; L198-F204 PolarHBondContact O-N 3.32Å; E202-F204 HydrophobicContact CB-CD2 3.28Å; E202-F204 HydrophobicContact CB-CE2 3.59Å; E202-F204 HydrophobicContact CB-CG 4.42Å; E202-F204 HydrophobicContact CG-CD2 4.23Å; E202-F204 HydrophobicContact CG-CE2 4.31Å; E202-F204 WeakPolarHBondContact O-CD2 3.39Å; E202-F204 PolarHBondContact O-N 2.72Å; E202-F204 WeakPolarHBondContact OE2-CD2 3.2Å; E202-F204 WeakPolarHBondContact OE2-CE2 3.4Å
205	C	69.3	Low	62	Low	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	-126.5	158.9	172.7	-69.5	0	0	0	0	111.5	Y162 C165 L198 S199	Y162-C205 VanDerWaalsContact CD1-C 3.49Å; Y162-C205 VanDerWaalsContact CE1-O 3.32Å; Y162-C205 WeakPolarHBondContact CE1-O 3.38Å; C165-C205 WeakPolarHBondContact CA-SG 3.21Å; C165-C205 HydrophobicContact CB-CB 4.03Å; C165-C205 WeakPolarHBondContact CB-SG 3.06Å; C165-C205 WeakPolarHBondContact SG-CB 3.28Å; C165-C205 CovalentContact SG-SG 2.04Å; C165-C205 PolarHBondContact SG-SG 2.86Å; L198-C205 HydrophobicContact CB-CB 3.94Å; L198-C205 VanDerWaalsContact CB-SG 3.5Å; L198-C205 PolarHBondContact O-N 3.23Å; S199-C205 WeakPolarHBondContact CA-O 3.41Å; S199-C205 VanDerWaalsContact OG-CB 3.23Å; S199-C205 WeakPolarHBondContact OG-CB 3.49Å
206	P	68.1	Low	60.4	Low	0 Å²	0	79.4 Å²	79.4	0%	0	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-59.3	144.9	173	-19.7	29.6	0	0	0	112.4	V154 E158 I159 Y162 S199	V154-P206 HydrophobicContact CG1-CB 3.89Å; V154-P206 HydrophobicContact CG1-CG 3.4Å; V154-P206 VanDerWaalsContact CG1-CG 3.4Å; E158-P206 HydrophobicContact CB-CB 3.63Å; E158-P206 HydrophobicContact CB-CG 3.62Å; E158-P206 VanDerWaalsContact OE2-CB 3.31Å; E158-P206 WeakPolarHBondContact OE2-CB 3.1Å; I159-P206 HydrophobicContact CG1-CG 4.39Å; Y162-P206 HydrophobicContact CD2-CB 4.16Å; Y162-P206 HydrophobicContact CD2-CG 3.52Å; Y162-P206 HydrophobicContact CE2-CB 4Å; Y162-P206 HydrophobicContact CE2-CG 3.88Å; Y162-P206 HydrophobicContact CG-CG 4.15Å; S199-P206 WeakPolarHBondContact CB-O 3.33Å; S199-P206 PolarHBondContact OG-O 3.36Å
207	Q	68.5	Low	59.5	Low	137 Å²	137	81.8 Å²	81.8	64%	0.64	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-63.9	138.7	178.6	-64	-160.7	-43.8	0	0	111.2
208	L	67.2	Low	59.6	Low	23 Å²	23	85 Å²	85	12%	0.12	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-77.2	131.9	-177	-69.5	172.3	0	0	0	111	C152 V154 V195 R196 S210	C152-L208 HydrophobicContact CB-CD1 4.2Å; C152-L208 HydrophobicContact CB-CD2 4.14Å; C152-L208 WeakPolarHBondContact SG-CD1 3.34Å; V154-L208 HydrophobicContact CG2-CD2 4.31Å; V195-L208 HydrophobicContact CG1-CD1 4.11Å; V195-L208 HydrophobicContact CG1-CD2 3.69Å; V195-L208 HydrophobicContact CG1-CG 4.12Å; R196-L208 HydrophobicContact CB-CD1 3.96Å; R196-L208 HydrophobicContact CG-CD1 4.31Å; L208-S210 PolarHBondContact O-N 3.19Å; L208-S210 VanDerWaalsContact O-N 3.1Å
209	D	54.6	Low	60	Low	123 Å²	123	90.3 Å²	90.3	66%	0.658	43%	0.426	S	S	*	.	S	Bend	trans	-82.3	20	-167.4	-126.6	-7.8	0	0	0	115.1	Q155	Q155-D209 PolarHBondContact NE2-OD2 2.88Å
210	S	47	Very low	60.8	Low	74 Å²	74	90.5 Å²	90.5	52%	0.517	43%	0.427	S	S	.	.	S	Bend	trans	-140.9	110.1	-176.4	45.9	0	0	0	0	110.9	L208	L208-S210 PolarHBondContact O-N 3.19Å; L208-S210 VanDerWaalsContact O-N 3.1Å
211	R	42.2	Very low	62	Low	133 Å²	133	93 Å²	93	50%	0.502	44%	0.439	S	S	.	.			trans	83.7	93.9	-167.4	-51.1	-167.5	-141.9	-150.5	6.8	114	E150 F213	E150-R211 IonicContact OE1-CZ 3.27Å; E150-R211 VanDerWaalsContact OE1-CZ 3.27Å; E150-R211 IonicContact OE1-NE 3.08Å; E150-R211 PolarHBondContact OE1-NE 2.99Å; E150-R211 IonicContact OE1-NH2 2.68Å; E150-R211 PolarHBondContact OE1-NH2 3.17Å; R211-F213 HydrophobicContact CB-CD2 4.32Å; R211-F213 PolarHBondContact O-N 3.09Å
212	K	38.3	Very low	63.4	Low	140 Å²	140	92.6 Å²	92.6	61%	0.609	44%	0.437	S	S	*	.			trans	-58.3	77.1	154.9	-74.8	179.6	-179.5	173.6	0	109.2	M214	K212-M214 HydrophobicContact CB-CG 4.36Å; K212-M214 PolarHBondContact O-N 3.4Å
213	F	36.9	Very low	64.7	Low	156 Å²	156	93 Å²	93	68%	0.684	44%	0.441	S	S	*	.			trans	-70.5	71.8	146.2	-88.4	-82.2	0	0	0	105.7	R211 K215	R211-F213 HydrophobicContact CB-CD2 4.32Å; R211-F213 PolarHBondContact O-N 3.09Å; F213-K215 VanDerWaalsContact C-N 3.29Å; F213-K215 PolarHBondContact O-N 3.41Å
214	M	39.2	Very low	65.9	Low	143 Å²	143	95.9 Å²	95.9	70%	0.704	44%	0.441	S	S	*	.			trans	-56	105.7	163.6	-91.5	179.8	62.7	0	0	104.6	K212 R216	K212-M214 HydrophobicContact CB-CG 4.36Å; K212-M214 PolarHBondContact O-N 3.4Å; M214-R216 VanDerWaalsContact C-N 3.32Å; M214-R216 PolarHBondContact O-N 2.87Å
215	K	44.7	Very low	67.1	Low	125 Å²	125	96.3 Å²	96.3	54%	0.543	45%	0.446	S	S	.	.			trans	-48.2	109.9	163	-144	170.7	-171.3	165.1	0	103.8	F213 Y217 N387	F213-K215 VanDerWaalsContact C-N 3.29Å; F213-K215 PolarHBondContact O-N 3.41Å; K215-Y217 HydrophobicContact CB-CE2 4.28Å; K215-Y217 WeakPolarHBondContact O-CD2 3.47Å; K215-Y217 PolarHBondContact O-N 3.14Å; K215-N387 PolarHBondContact NZ-ND2 3.13Å
216	R	47.9	Very low	68.5	Low	243 Å²	243	97.7 Å²	97.7	92%	0.917	45%	0.453	S	S	*	.			trans	-70.1	85.5	-171.2	-159.9	177.4	-169.9	177.2	4.1	105.9	M214 S218	M214-R216 VanDerWaalsContact C-N 3.32Å; M214-R216 PolarHBondContact O-N 2.87Å; R216-S218 PolarHBondContact O-N 3Å
217	Y	59.1	Low	69.8	Low	133 Å²	133	103.6 Å²	103.6	52%	0.522	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-58.6	128.6	176.8	-69	-79.3	0	0	0	106.2	K215 E219 P310	K215-Y217 HydrophobicContact CB-CE2 4.28Å; K215-Y217 WeakPolarHBondContact O-CD2 3.47Å; K215-Y217 PolarHBondContact O-N 3.14Å; Y217-E219 PolarHBondContact O-N 2.68Å; Y217-P310 HydrophobicContact CG-CB 4.42Å
218	S	77.7	Confident	71.1	Confident	75 Å²	75	97.4 Å²	97.4	52%	0.524	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-56.5	135.5	167.5	53.7	0	0	0	0	107.7	R216 K311	R216-S218 PolarHBondContact O-N 3Å; S218-K311 WeakPolarHBondContact O-CA 3.4Å; S218-K311 WeakPolarHBondContact O-CB 3.2Å; S218-K311 PolarHBondContact O-N 3.42Å; S218-K311 WeakPolarHBondContact OG-CB 3.37Å
219	E	85.9	Confident	72.4	Confident	111 Å²	111	96.3 Å²	96.3	52%	0.519	45%	0.452	S	S	.	.	B	Isolated β-bridge	trans	-74.6	141.6	176.8	-66.1	179.4	-169.2	0	0	110.4	Y217 Q221 R309	Y217-E219 PolarHBondContact O-N 2.68Å; E219-Q221 PolarHBondContact O-N 3.24Å; E219-R309 CarbonylContact C-O 3.59Å; E219-R309 WeakPolarHBondContact CA-O 3.42Å
220	A	90.7	Very high	74.4	Confident	4 Å²	4	91.4 Å²	91.4	3%	0.033	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-72.4	117.7	173.2	0	0	0	0	0	109.3	R309 K311	A220-R309 HydrophobicContact CB-CB 4.46Å; A220-R309 PolarHBondContact N-O 3.46Å; A220-K311 HydrophobicContact CB-CB 4.15Å
221	Q	91.7	Very high	76.6	Confident	125 Å²	125	97.1 Å²	97.1	58%	0.584	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-103.9	131.4	177.3	-64.8	-62.3	-33.8	0	0	109.7	E219 T223 G357	E219-Q221 PolarHBondContact O-N 3.24Å; Q221-T223 PolarHBondContact O-N 3.19Å; Q221-G357 WeakPolarHBondContact O-CA 3.45Å
222	I	94.8	Very high	78.9	Confident	39 Å²	39	93.2 Å²	93.2	20%	0.2	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-58.9	126.5	178.7	-62.5	173.2	0	0	0	108.9	I261 I265 L306 F307 I355	I222-I261 HydrophobicContact CD1-CD1 4.18Å; I222-I261 HydrophobicContact CD1-CG1 4.39Å; I222-I261 HydrophobicContact CG2-CD1 4.33Å; I222-I261 HydrophobicContact CG2-CG1 3.73Å; I222-I265 HydrophobicContact CD1-CD1 3.69Å; I222-I265 HydrophobicContact CD1-CG1 3.79Å; I222-L306 HydrophobicContact CD1-CD1 4.4Å; I222-L306 HydrophobicContact CD1-CD2 4.1Å; I222-L306 HydrophobicContact CD1-CG 4.17Å; I222-F307 HydrophobicContact CD1-CE1 3.93Å; I222-I355 VanDerWaalsContact CA-O 3.3Å; I222-I355 WeakPolarHBondContact CA-O 3.22Å; I222-I355 HydrophobicContact CG2-CG2 4.46Å
223	T	94.7	Very high	81.4	Confident	32 Å²	32	86.6 Å²	86.6	20%	0.196	40%	0.395	C	S	.	.			trans	-110.1	144.8	176.6	174.7	0	0	0	0	111	Q221 D225 Y354 I355	Q221-T223 PolarHBondContact O-N 3.19Å; T223-D225 PolarHBondContact OG1-N 3.23Å; T223-Y354 HydrophobicContact CG2-CD1 3.52Å; T223-Y354 HydrophobicContact CG2-CE1 3.36Å; T223-Y354 HydrophobicContact CG2-CE2 4.41Å; T223-Y354 HydrophobicContact CG2-CG 4.12Å; T223-Y354 WeakPolarHBondContact CG2-O 3.43Å; T223-Y354 WeakPolarHBondContact OG1-CE1 3.19Å; T223-Y354 PolarHBondContact OG1-OH 2.75Å; T223-I355 PolarHBondContact N-O 2.9Å
224	R	95.4	Very high	83.3	Confident	133 Å²	133	82 Å²	82	50%	0.502	38%	0.383	S	S	.	.			trans	-121.3	5.8	178.7	-59.2	179.5	-173.4	171.7	1.2	111.5	L226 W254 L258	R224-L226 PolarHBondContact O-N 3.23Å; R224-W254 PolarHBondContact O-NE1 3.5Å; R224-W254 VanDerWaalsContact O-NE1 3.09Å; R224-L258 HydrophobicContact CB-CD2 3.63Å; R224-L258 HydrophobicContact CG-CD2 3.78Å
225	D	96.3	Very high	84.5	Confident	73 Å²	73	79.7 Å²	79.7	39%	0.39	38%	0.381	S	S	.	.			trans	-84.1	97.8	-174.2	174.9	24.4	0	0	0	111.9	T223 N227 G228 L229 Y354	T223-D225 PolarHBondContact OG1-N 3.23Å; D225-N227 VanDerWaalsContact C-N 3.31Å; D225-N227 PolarHBondContact O-N 3.19Å; D225-N227 WeakPolarHBondContact OD1-CB 3.36Å; D225-N227 PolarHBondContact OD1-N 3.45Å; D225-G228 VanDerWaalsContact CG-N 3.26Å; D225-G228 PolarHBondContact OD1-N 3.36Å; D225-G228 VanDerWaalsContact OD1-N 3.12Å; D225-G228 WeakPolarHBondContact OD2-CA 3.04Å; D225-G228 PolarHBondContact OD2-N 3.39Å; D225-L229 PolarHBondContact O-N 2.96Å; D225-Y354 WeakPolarHBondContact O-CE1 3.44Å; D225-Y354 PolarHBondContact O-OH 2.91Å
226	L	96.9	Very high	85.5	Confident	30 Å²	30	74.5 Å²	74.5	16%	0.157	36%	0.359	C	S	.	.	H	α-helix	trans	-62.8	-38.2	174.1	-179.9	57.6	0	0	0	112	R224 G228 L229 L230 L250 K251 W254	R224-L226 PolarHBondContact O-N 3.23Å; L226-G228 VanDerWaalsContact C-N 3.31Å; L226-G228 PolarHBondContact O-N 3.22Å; L226-L229 PolarHBondContact O-N 3.07Å; L226-L229 VanDerWaalsContact O-N 3.13Å; L226-L230 HydrophobicContact CD1-CD1 4.33Å; L226-L230 HydrophobicContact CD1-CD2 4.14Å; L226-L230 HydrophobicContact CD1-CG 3.94Å; L226-L230 HydrophobicContact CD2-CD1 4.37Å; L226-L230 HydrophobicContact CG-CD1 3.92Å; L226-L230 HydrophobicContact CG-CG 3.98Å; L226-L230 VanDerWaalsContact O-CG 3.31Å; L226-L230 WeakPolarHBondContact O-CG 3.13Å; L226-L230 PolarHBondContact O-N 3.04Å; L226-L250 HydrophobicContact CD1-CB 4.23Å; L226-K251 HydrophobicContact CD2-CG 4.16Å; L226-W254 HydrophobicContact CB-CD2 3.9Å; L226-W254 HydrophobicContact CB-CG 4.01Å; L226-W254 HydrophobicContact CB-CZ2 4.13Å; L226-W254 HydrophobicContact CD1-CD2 3.78Å; L226-W254 HydrophobicContact CD1-CE3 3.72Å; L226-W254 HydrophobicContact CD1-CG 4.15Å; L226-W254 HydrophobicContact CD1-CZ3 4.16Å; L226-W254 HydrophobicContact CD2-CB 4.02Å; L226-W254 HydrophobicContact CD2-CD2 4.43Å; L226-W254 HydrophobicContact CD2-CG 3.96Å; L226-W254 HydrophobicContact CG-CD2 4.23Å; L226-W254 HydrophobicContact CG-CG 4.26Å
227	N	96.4	Very high	86.3	Confident	124 Å²	124	72 Å²	72	66%	0.663	36%	0.355	S	S	*	.	H	α-helix	trans	-65.4	-38.7	-174.3	-68.3	-40.3	0	0	0	111.1	D225 L229 L230 R231	D225-N227 VanDerWaalsContact C-N 3.31Å; D225-N227 PolarHBondContact O-N 3.19Å; D225-N227 WeakPolarHBondContact OD1-CB 3.36Å; D225-N227 PolarHBondContact OD1-N 3.45Å; N227-L229 PolarHBondContact O-N 3.14Å; N227-L230 PolarHBondContact O-N 3.28Å; N227-R231 PolarHBondContact O-N 2.89Å
228	G	95.3	Very high	86.9	Confident	6 Å²	6	70.4 Å²	70.4	6%	0.062	36%	0.356	C	S	.	.	H	α-helix	trans	-57.9	-45.2	172	0	0	0	0	0	112.6	D225 L226 R231 I232	D225-G228 VanDerWaalsContact CG-N 3.26Å; D225-G228 PolarHBondContact OD1-N 3.36Å; D225-G228 VanDerWaalsContact OD1-N 3.12Å; D225-G228 WeakPolarHBondContact OD2-CA 3.04Å; D225-G228 PolarHBondContact OD2-N 3.39Å; L226-G228 VanDerWaalsContact C-N 3.31Å; L226-G228 PolarHBondContact O-N 3.22Å; G228-R231 PolarHBondContact O-N 3.04Å; G228-I232 WeakPolarHBondContact O-CG1 3.47Å; G228-I232 PolarHBondContact O-N 3.44Å
229	L	95.6	Very high	87	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-44.8	175.8	179.2	56.4	0	0	0	112.4	D225 L226 N227 R231 I232 L233 L250 W254 I350 Y354 I360	D225-L229 PolarHBondContact O-N 2.96Å; L226-L229 PolarHBondContact O-N 3.07Å; L226-L229 VanDerWaalsContact O-N 3.13Å; N227-L229 PolarHBondContact O-N 3.14Å; L229-R231 PolarHBondContact O-N 2.92Å; L229-I232 WeakPolarHBondContact O-CB 3.35Å; L229-I232 PolarHBondContact O-N 3.23Å; L229-I232 VanDerWaalsContact O-N 3.08Å; L229-L233 PolarHBondContact O-N 3.07Å; L229-L233 VanDerWaalsContact O-N 3.15Å; L229-L250 HydrophobicContact CD2-CD1 3.9Å; L229-L250 HydrophobicContact CD2-CD2 3.93Å; L229-L250 HydrophobicContact CG-CD1 4.25Å; L229-W254 HydrophobicContact CD2-CH2 4.12Å; L229-W254 HydrophobicContact CD2-CZ3 3.77Å; L229-I350 HydrophobicContact CD1-CG2 3.74Å; L229-Y354 HydrophobicContact CB-CD1 3.89Å; L229-Y354 HydrophobicContact CB-CD2 4.14Å; L229-Y354 HydrophobicContact CB-CE1 3.84Å; L229-Y354 HydrophobicContact CB-CE2 4.1Å; L229-Y354 HydrophobicContact CB-CG 4.04Å; L229-Y354 HydrophobicContact CD1-CD1 4.49Å; L229-Y354 HydrophobicContact CD1-CD2 3.91Å; L229-Y354 HydrophobicContact CD1-CG 3.86Å; L229-Y354 HydrophobicContact CD2-CD1 4.19Å; L229-Y354 HydrophobicContact CD2-CG 4.25Å; L229-Y354 HydrophobicContact CG-CD1 4.41Å; L229-Y354 HydrophobicContact CG-CG 4.27Å; L229-I360 HydrophobicContact CD1-CD1 3.93Å
230	L	95.3	Very high	86.8	Confident	20 Å²	20	67.9 Å²	67.9	11%	0.105	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-34.3	178.6	-67.5	-177.7	0	0	0	112.1	L226 N227 L233 S234 I247 K251	L226-L230 HydrophobicContact CD1-CD1 4.33Å; L226-L230 HydrophobicContact CD1-CD2 4.14Å; L226-L230 HydrophobicContact CD1-CG 3.94Å; L226-L230 HydrophobicContact CD2-CD1 4.37Å; L226-L230 HydrophobicContact CG-CD1 3.92Å; L226-L230 HydrophobicContact CG-CG 3.98Å; L226-L230 VanDerWaalsContact O-CG 3.31Å; L226-L230 WeakPolarHBondContact O-CG 3.13Å; L226-L230 PolarHBondContact O-N 3.04Å; N227-L230 PolarHBondContact O-N 3.28Å; L230-L233 PolarHBondContact O-N 3.03Å; L230-S234 VanDerWaalsContact O-CB 3.27Å; L230-S234 WeakPolarHBondContact O-CB 3.22Å; L230-S234 PolarHBondContact O-N 3.47Å; L230-S234 PolarHBondContact O-OG 3.02Å; L230-I247 HydrophobicContact CD2-CB 4.25Å; L230-I247 HydrophobicContact CD2-CG1 3.98Å; L230-I247 HydrophobicContact CD2-CG2 3.93Å; L230-K251 HydrophobicContact CD1-CG 4.31Å
231	R	93.5	Very high	86.4	Confident	194 Å²	194	69.6 Å²	69.6	73%	0.732	35%	0.35	S	S	*	.	H	α-helix	trans	-65.4	-37.8	174.3	-175.4	171.8	58.2	-177.5	-3.8	112.3	N227 G228 L229 S234 S235	N227-R231 PolarHBondContact O-N 2.89Å; G228-R231 PolarHBondContact O-N 3.04Å; L229-R231 PolarHBondContact O-N 2.92Å; R231-S234 PolarHBondContact O-N 2.76Å; R231-S235 PolarHBondContact O-N 3.29Å
232	I	91.7	Very high	86.1	Confident	52 Å²	52	63.6 Å²	63.6	27%	0.267	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-42.4	175.2	-64.1	167.7	0	0	0	110.5	G228 L229 S234 S235 Y354 I360 I362	G228-I232 WeakPolarHBondContact O-CG1 3.47Å; G228-I232 PolarHBondContact O-N 3.44Å; L229-I232 WeakPolarHBondContact O-CB 3.35Å; L229-I232 PolarHBondContact O-N 3.23Å; L229-I232 VanDerWaalsContact O-N 3.08Å; I232-S234 VanDerWaalsContact C-N 3.29Å; I232-S234 PolarHBondContact O-N 3.39Å; I232-S235 PolarHBondContact O-OG 2.94Å; I232-Y354 HydrophobicContact CD1-CD2 4.08Å; I232-Y354 HydrophobicContact CD1-CE2 3.92Å; I232-I360 HydrophobicContact CD1-CD1 4.38Å; I232-I360 HydrophobicContact CD1-CG1 4.08Å; I232-I360 HydrophobicContact CG2-CD1 4.45Å; I232-I360 HydrophobicContact CG2-CG1 4.39Å; I232-I362 HydrophobicContact CG2-CD1 4.27Å
233	L	88.7	Confident	85.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-71.2	-25.1	175.4	-69.4	171.1	0	0	0	112.9	L229 L230 K243 M246 I247 L250 I362	L229-L233 PolarHBondContact O-N 3.07Å; L229-L233 VanDerWaalsContact O-N 3.15Å; L230-L233 PolarHBondContact O-N 3.03Å; L233-K243 WeakPolarHBondContact O-CE 3.29Å; L233-M246 HydrophobicContact CD1-CB 4.4Å; L233-M246 HydrophobicContact CD2-CE 4.08Å; L233-M246 HydrophobicContact CD2-SD 4.18Å; L233-I247 HydrophobicContact CB-CG1 4.46Å; L233-I247 HydrophobicContact CD1-CG1 4.3Å; L233-L250 HydrophobicContact CD1-CD1 3.31Å; L233-I362 HydrophobicContact CD2-CD1 3.56Å; L233-I362 HydrophobicContact CG-CD1 4.5Å
234	S	77	Confident	85.5	Confident	59 Å²	59	65.1 Å²	65.1	41%	0.413	33%	0.334	S	S	.	.	H	α-helix	trans	-77	-21.7	-175.3	-65.5	0	0	0	0	114.5	L230 R231 I232 V236 K243	L230-S234 VanDerWaalsContact O-CB 3.27Å; L230-S234 WeakPolarHBondContact O-CB 3.22Å; L230-S234 PolarHBondContact O-N 3.47Å; L230-S234 PolarHBondContact O-OG 3.02Å; R231-S234 PolarHBondContact O-N 2.76Å; I232-S234 VanDerWaalsContact C-N 3.29Å; I232-S234 PolarHBondContact O-N 3.39Å; S234-V236 PolarHBondContact O-N 3.3Å; S234-K243 PolarHBondContact O-NZ 3.48Å
235	S	65.7	Low	85.2	Confident	95 Å²	95	59.9 Å²	59.9	66%	0.664	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.8	-178.4	61.4	0	0	0	0	114.1	R231 I232 K237	R231-S235 PolarHBondContact O-N 3.29Å; I232-S235 PolarHBondContact O-OG 2.94Å; S235-K237 PolarHBondContact O-N 3.27Å
236	V	65.7	Low	85	Confident	16 Å²	16	56.4 Å²	56.4	10%	0.097	30%	0.296	C	S	.	.			trans	-80.8	119.1	-178.6	-165.3	0	0	0	0	109.4	S234 N238 K243 Y364	S234-V236 PolarHBondContact O-N 3.3Å; V236-N238 VanDerWaalsContact CG1-O 3.26Å; V236-N238 WeakPolarHBondContact CG1-O 3.27Å; V236-K243 PolarHBondContact O-NZ 2.72Å; V236-Y364 HydrophobicContact CB-CE2 4.07Å; V236-Y364 HydrophobicContact CG1-CD2 3.78Å; V236-Y364 HydrophobicContact CG1-CE2 3.36Å; V236-Y364 HydrophobicContact CG2-CE2 3.58Å
237	K	64.3	Low	84.8	Confident	192 Å²	192	56.4 Å²	56.4	84%	0.835	30%	0.296	S	S	*	.	S	Bend	trans	-78	-31	179.2	-68.2	-174.7	178.9	-179	0	113	S235	S235-K237 PolarHBondContact O-N 3.27Å
238	N	71.7	Confident	84.6	Confident	98 Å²	98	53.4 Å²	53.4	52%	0.524	28%	0.282	S	S	.	.	S	Bend	trans	-102	175.1	-179.8	-62.4	-15	0	0	0	110.8	V236	V236-N238 VanDerWaalsContact CG1-O 3.26Å; V236-N238 WeakPolarHBondContact CG1-O 3.27Å
239	H	79.4	Confident	84.5	Confident	14 Å²	14	53.1 Å²	53.1	7%	0.065	28%	0.279	C	S	.	.			trans	65.1	49.6	178.7	-42.7	-80.4	0	0	0	114.5	S241 S242 K243 L321 E331 Y364 E365	H239-S241 PolarHBondContact O-N 2.93Å; H239-S242 WeakPolarHBondContact CB-OG 3.41Å; H239-S242 PolarHBondContact O-OG 3.41Å; H239-S242 VanDerWaalsContact O-OG 3.11Å; H239-K243 WeakPolarHBondContact O-CB 3.37Å; H239-K243 PolarHBondContact O-N 3.2Å; H239-L321 PolarHBondContact CE1-O 3.38Å; H239-L321 PolarHBondContact ND1-O 3.16Å; H239-L321 VanDerWaalsContact ND1-O 3.12Å; H239-E331 VanDerWaalsContact CA-CD 3.49Å; H239-E331 VanDerWaalsContact CA-OE1 3.23Å; H239-E331 WeakPolarHBondContact CA-OE1 3.45Å; H239-Y364 AromaticContact CD2-CD2 3.81Å; H239-Y364 AromaticContact CD2-CG 3.61Å; H239-Y364 WeakPolarHBondContact NE2-CB 3.25Å; H239-Y364 AromaticContact NE2-CG 3.79Å; H239-E365 IonicContact CE1-OE1 2.62Å; H239-E365 IonicContact NE2-OE1 3.85Å
240	L	81.6	Confident	84.5	Confident	120 Å²	120	53.2 Å²	53.2	63%	0.628	28%	0.279	S	S	*	.	H	α-helix	trans	-63.3	-36.1	-174.6	-64.6	176.9	0	0	0	114.3	S244 E331	L240-S244 VanDerWaalsContact O-CB 3.24Å; L240-S244 WeakPolarHBondContact O-CB 3.49Å; L240-S244 PolarHBondContact O-N 2.91Å; L240-E331 PolarHBondContact N-OE1 2.88Å; L240-E331 VanDerWaalsContact N-OE1 3.15Å
241	S	82.6	Confident	84.5	Confident	39 Å²	39	58.2 Å²	58.2	27%	0.273	30%	0.3	S	S	.	.	H	α-helix	trans	-72.7	-48.4	-177.5	-54	0	0	0	0	111.2	H239 K243 S244 F245 E331	H239-S241 PolarHBondContact O-N 2.93Å; S241-K243 VanDerWaalsContact C-N 3.34Å; S241-S244 PolarHBondContact O-N 3.34Å; S241-F245 WeakPolarHBondContact O-CB 3.34Å; S241-F245 PolarHBondContact O-N 2.99Å; S241-E331 VanDerWaalsContact CA-OE1 3.29Å; S241-E331 WeakPolarHBondContact CA-OE1 3.25Å; S241-E331 VanDerWaalsContact CB-OE1 3.22Å; S241-E331 WeakPolarHBondContact CB-OE1 3.22Å; S241-E331 PolarHBondContact N-OE1 3.35Å
242	S	86.4	Confident	84.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-42.8	174.8	48.4	0	0	0	0	111.2	H239 S244 F245 M246 E331	H239-S242 WeakPolarHBondContact CB-OG 3.41Å; H239-S242 PolarHBondContact O-OG 3.41Å; H239-S242 VanDerWaalsContact O-OG 3.11Å; S242-S244 PolarHBondContact O-N 3.24Å; S242-F245 WeakPolarHBondContact O-CB 3.4Å; S242-F245 PolarHBondContact O-N 3.21Å; S242-M246 VanDerWaalsContact O-CG 3.29Å; S242-M246 WeakPolarHBondContact O-CG 3.3Å; S242-M246 PolarHBondContact O-N 3.04Å; S242-E331 VanDerWaalsContact CB-OE2 3.23Å; S242-E331 WeakPolarHBondContact CB-OE2 3.5Å; S242-E331 PolarHBondContact N-OE1 3.13Å; S242-E331 VanDerWaalsContact N-OE1 3.08Å; S242-E331 PolarHBondContact N-OE2 3.4Å; S242-E331 PolarHBondContact OG-OE2 3.34Å
243	K	87.8	Confident	84.6	Confident	34 Å²	34	49 Å²	49	15%	0.148	26%	0.262	C	S	.	.	H	α-helix	trans	-57.2	-49.2	173.6	178.8	179.9	-177	172.1	0	112.4	L233 S234 V236 H239 S241 F245 M246 I247	L233-K243 WeakPolarHBondContact O-CE 3.29Å; S234-K243 PolarHBondContact O-NZ 3.48Å; V236-K243 PolarHBondContact O-NZ 2.72Å; H239-K243 WeakPolarHBondContact O-CB 3.37Å; H239-K243 PolarHBondContact O-N 3.2Å; S241-K243 VanDerWaalsContact C-N 3.34Å; K243-F245 VanDerWaalsContact C-N 3.32Å; K243-F245 PolarHBondContact O-N 3.49Å; K243-M246 PolarHBondContact O-N 3.32Å; K243-I247 HydrophobicContact CG-CD1 3.77Å; K243-I247 HydrophobicContact CG-CG1 4.45Å; K243-I247 WeakPolarHBondContact O-CB 3.5Å; K243-I247 VanDerWaalsContact O-CG1 3.3Å; K243-I247 WeakPolarHBondContact O-CG1 3.46Å; K243-I247 PolarHBondContact O-N 3.44Å
244	S	88.2	Confident	84.9	Confident	69 Å²	69	49.8 Å²	49.8	48%	0.483	27%	0.265	S	S	.	.	H	α-helix	trans	-58.6	-45.1	178	-178.7	0	0	0	0	111.4	L240 S241 S242 T248	L240-S244 VanDerWaalsContact O-CB 3.24Å; L240-S244 WeakPolarHBondContact O-CB 3.49Å; L240-S244 PolarHBondContact O-N 2.91Å; S241-S244 PolarHBondContact O-N 3.34Å; S242-S244 PolarHBondContact O-N 3.24Å; S244-T248 WeakPolarHBondContact O-CB 3.49Å; S244-T248 PolarHBondContact O-N 3.36Å; S244-T248 PolarHBondContact O-OG1 2.82Å
245	F	89	Confident	85.8	Confident	22 Å²	22	50.9 Å²	50.9	10%	0.096	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-53.8	175.8	176.7	-87.3	0	0	0	111.7	S241 S242 K243 I247 T248 R249 L340 L343 V344 Y528	S241-F245 WeakPolarHBondContact O-CB 3.34Å; S241-F245 PolarHBondContact O-N 2.99Å; S242-F245 WeakPolarHBondContact O-CB 3.4Å; S242-F245 PolarHBondContact O-N 3.21Å; K243-F245 VanDerWaalsContact C-N 3.32Å; K243-F245 PolarHBondContact O-N 3.49Å; F245-I247 PolarHBondContact O-N 3.48Å; F245-T248 PolarHBondContact O-N 3.33Å; F245-R249 WeakPolarHBondContact O-CB 3.26Å; F245-R249 PolarHBondContact O-N 2.95Å; F245-L340 HydrophobicContact CD2-CD2 4.26Å; F245-L340 HydrophobicContact CE2-CB 4.37Å; F245-L340 HydrophobicContact CE2-CD1 4Å; F245-L340 HydrophobicContact CE2-CD2 4.22Å; F245-L340 HydrophobicContact CE2-CG 4.42Å; F245-L340 HydrophobicContact CZ-CB 4.47Å; F245-L343 HydrophobicContact CD1-CB 3.88Å; F245-L343 HydrophobicContact CD1-CD1 4.29Å; F245-L343 HydrophobicContact CE1-CB 3.7Å; F245-L343 HydrophobicContact CG-CD1 4.5Å; F245-L343 HydrophobicContact CZ-CB 4.45Å; F245-V344 HydrophobicContact CE1-CG2 4.31Å; F245-V344 HydrophobicContact CZ-CG2 3.84Å; F245-Y528 HydrophobicContact CD2-CD1 4.39Å; F245-Y528 AromaticContact CE2-CD1 3.61Å; F245-Y528 HydrophobicContact CE2-CD1 3.61Å; F245-Y528 AromaticContact CE2-CE1 3.9Å; F245-Y528 HydrophobicContact CE2-CE1 3.9Å; F245-Y528 HydrophobicContact CZ-CD1 4.49Å; F245-Y528 HydrophobicContact CZ-CE1 4.36Å
246	M	91.7	Very high	87.2	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-48.6	-178.7	-69.9	-169.5	-77.9	0	0	111.4	L233 S242 K243 T248 R249 L250 M318 T347 I350	L233-M246 HydrophobicContact CD1-CB 4.4Å; L233-M246 HydrophobicContact CD2-CE 4.08Å; L233-M246 HydrophobicContact CD2-SD 4.18Å; S242-M246 VanDerWaalsContact O-CG 3.29Å; S242-M246 WeakPolarHBondContact O-CG 3.3Å; S242-M246 PolarHBondContact O-N 3.04Å; K243-M246 PolarHBondContact O-N 3.32Å; M246-T248 VanDerWaalsContact C-N 3.34Å; M246-T248 PolarHBondContact O-N 3.26Å; M246-R249 PolarHBondContact O-N 2.87Å; M246-L250 WeakPolarHBondContact O-CB 3.36Å; M246-L250 VanDerWaalsContact O-CG 3.23Å; M246-L250 WeakPolarHBondContact O-CG 3.39Å; M246-L250 PolarHBondContact O-N 2.81Å; M246-M318 HydrophobicContact CE-CE 4.4Å; M246-M318 HydrophobicContact SD-CE 4.49Å; M246-T347 HydrophobicContact CB-CG2 4.37Å; M246-T347 WeakPolarHBondContact CG-OG1 3.49Å; M246-I350 HydrophobicContact SD-CD1 4.09Å
247	I	93.4	Very high	88.7	Confident	30 Å²	30	48.1 Å²	48.1	15%	0.154	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-44.6	179.4	-71.5	176.6	0	0	0	111	L230 L233 K243 F245 L250 K251	L230-I247 HydrophobicContact CD2-CB 4.25Å; L230-I247 HydrophobicContact CD2-CG1 3.98Å; L230-I247 HydrophobicContact CD2-CG2 3.93Å; L233-I247 HydrophobicContact CB-CG1 4.46Å; L233-I247 HydrophobicContact CD1-CG1 4.3Å; K243-I247 HydrophobicContact CG-CD1 3.77Å; K243-I247 HydrophobicContact CG-CG1 4.45Å; K243-I247 WeakPolarHBondContact O-CB 3.5Å; K243-I247 VanDerWaalsContact O-CG1 3.3Å; K243-I247 WeakPolarHBondContact O-CG1 3.46Å; K243-I247 PolarHBondContact O-N 3.44Å; F245-I247 PolarHBondContact O-N 3.48Å; I247-L250 PolarHBondContact O-N 2.98Å; I247-K251 HydrophobicContact CG2-CD 4.16Å; I247-K251 WeakPolarHBondContact O-CB 3.4Å; I247-K251 WeakPolarHBondContact O-CG 3.38Å; I247-K251 PolarHBondContact O-N 2.89Å
248	T	91.9	Very high	90.3	Very high	60 Å²	60	41.2 Å²	41.2	37%	0.368	22%	0.22	S	C	.	.	H	α-helix	trans	-68.1	-43.2	-177.2	-52.3	0	0	0	0	110.7	S244 F245 M246 K251 R252	S244-T248 WeakPolarHBondContact O-CB 3.49Å; S244-T248 PolarHBondContact O-N 3.36Å; S244-T248 PolarHBondContact O-OG1 2.82Å; F245-T248 PolarHBondContact O-N 3.33Å; M246-T248 VanDerWaalsContact C-N 3.34Å; M246-T248 PolarHBondContact O-N 3.26Å; T248-K251 PolarHBondContact O-N 2.62Å; T248-R252 VanDerWaalsContact CG2-NH1 3.35Å; T248-R252 WeakPolarHBondContact O-CG 3.5Å; T248-R252 PolarHBondContact O-N 3.41Å; T248-R252 VanDerWaalsContact O-N 3.09Å
249	R	93.3	Very high	91.4	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-62.4	-47.1	175	-178.9	175.1	174.8	91.6	-10.2	111.7	F245 M246 K251 R252 M253 T347 D348 V460 E462 E556	F245-R249 WeakPolarHBondContact O-CB 3.26Å; F245-R249 PolarHBondContact O-N 2.95Å; M246-R249 PolarHBondContact O-N 2.87Å; R249-K251 VanDerWaalsContact C-N 3.35Å; R249-K251 PolarHBondContact O-N 3.04Å; R249-R252 PolarHBondContact O-N 2.91Å; R249-M253 HydrophobicContact CG-CG 4.32Å; R249-M253 HydrophobicContact CG-SD 3.71Å; R249-M253 PolarHBondContact NE-SD 3.32Å; R249-M253 VanDerWaalsContact NE-SD 3.41Å; R249-M253 PolarHBondContact NH2-SD 2.89Å; R249-M253 WeakPolarHBondContact O-CB 3.33Å; R249-M253 PolarHBondContact O-N 3.14Å; R249-T347 HydrophobicContact CB-CG2 4.35Å; R249-T347 HydrophobicContact CG-CG2 4.31Å; R249-D348 IonicContact CZ-OD1 3.63Å; R249-D348 IonicContact CZ-OD2 2.68Å; R249-D348 IonicContact NE-OD1 3.43Å; R249-D348 PolarHBondContact NE-OD1 3.06Å; R249-D348 IonicContact NE-OD2 3.62Å; R249-D348 IonicContact NH2-OD1 2.66Å; R249-D348 PolarHBondContact NH2-OD1 2.88Å; R249-D348 IonicContact NH2-OD2 3.29Å; R249-D348 PolarHBondContact NH2-OD2 3.37Å; R249-V460 PolarHBondContact NH2-O 3.2Å; R249-E462 IonicContact CZ-OE2 3.59Å; R249-E462 IonicContact NH1-OE2 3.36Å; R249-E462 PolarHBondContact NH1-OE2 2.77Å; R249-E556 IonicContact NH1-OE1 2.74Å; R249-E556 PolarHBondContact NH1-OE1 3.3Å
250	L	95.5	Very high	92.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-57.4	-46.9	177.3	-75.1	170.1	0	0	0	111.7	L226 L229 L233 M246 I247 R252 M253 W254 T347 A351	L226-L250 HydrophobicContact CD1-CB 4.23Å; L229-L250 HydrophobicContact CD2-CD1 3.9Å; L229-L250 HydrophobicContact CD2-CD2 3.93Å; L229-L250 HydrophobicContact CG-CD1 4.25Å; L233-L250 HydrophobicContact CD1-CD1 3.31Å; M246-L250 WeakPolarHBondContact O-CB 3.36Å; M246-L250 VanDerWaalsContact O-CG 3.23Å; M246-L250 WeakPolarHBondContact O-CG 3.39Å; M246-L250 PolarHBondContact O-N 2.81Å; I247-L250 PolarHBondContact O-N 2.98Å; L250-R252 PolarHBondContact O-N 2.92Å; L250-M253 PolarHBondContact O-N 2.9Å; L250-W254 WeakPolarHBondContact O-CA 3.36Å; L250-W254 VanDerWaalsContact O-CB 3.3Å; L250-W254 WeakPolarHBondContact O-CB 3.49Å; L250-W254 PolarHBondContact O-N 2.79Å; L250-T347 HydrophobicContact CD1-CG2 4.43Å; L250-T347 HydrophobicContact CD2-CG2 3.95Å; L250-T347 HydrophobicContact CG-CG2 3.75Å; L250-A351 HydrophobicContact CD2-CB 3.64Å
251	K	95.1	Very high	92.9	Very high	125 Å²	125	32.6 Å²	32.6	54%	0.543	18%	0.183	S	C	.	.	H	α-helix	trans	-59.6	-43.6	177.4	-76.9	179.1	176.1	-175.8	0	112.4	L226 L230 I247 T248 R249	L226-K251 HydrophobicContact CD2-CG 4.16Å; L230-K251 HydrophobicContact CD1-CG 4.31Å; I247-K251 HydrophobicContact CG2-CD 4.16Å; I247-K251 WeakPolarHBondContact O-CB 3.4Å; I247-K251 WeakPolarHBondContact O-CG 3.38Å; I247-K251 PolarHBondContact O-N 2.89Å; T248-K251 PolarHBondContact O-N 2.62Å; R249-K251 VanDerWaalsContact C-N 3.35Å; R249-K251 PolarHBondContact O-N 3.04Å
252	R	92.4	Very high	93.5	Very high	51 Å²	51	34 Å²	34	19%	0.192	19%	0.187	C	C	.	.	H	α-helix	trans	-66.6	-44.7	178.9	-70.8	-167.6	-42.3	-91.8	-3.3	112.2	T248 R249 L250 P255 E462	T248-R252 VanDerWaalsContact CG2-NH1 3.35Å; T248-R252 WeakPolarHBondContact O-CG 3.5Å; T248-R252 PolarHBondContact O-N 3.41Å; T248-R252 VanDerWaalsContact O-N 3.09Å; R249-R252 PolarHBondContact O-N 2.91Å; L250-R252 PolarHBondContact O-N 2.92Å; R252-P255 WeakPolarHBondContact O-CD 3.36Å; R252-E462 IonicContact CZ-OE1 3.4Å; R252-E462 IonicContact CZ-OE2 3.93Å; R252-E462 IonicContact NE-OE1 2.72Å; R252-E462 PolarHBondContact NE-OE1 3.09Å; R252-E462 IonicContact NH2-OE1 3.66Å; R252-E462 PolarHBondContact NH2-OE1 2.77Å; R252-E462 VanDerWaalsContact NH2-OE1 3.09Å; R252-E462 IonicContact NH2-OE2 3.28Å; R252-E462 PolarHBondContact NH2-OE2 3.18Å
253	M	94.3	Very high	93.8	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-89.8	-8.5	-172.9	-65.6	-174.7	70.4	0	0	114.3	R249 L250 P255 D256 W257 V460 E462	R249-M253 HydrophobicContact CG-CG 4.32Å; R249-M253 HydrophobicContact CG-SD 3.71Å; R249-M253 PolarHBondContact NE-SD 3.32Å; R249-M253 VanDerWaalsContact NE-SD 3.41Å; R249-M253 PolarHBondContact NH2-SD 2.89Å; R249-M253 WeakPolarHBondContact O-CB 3.33Å; R249-M253 PolarHBondContact O-N 3.14Å; L250-M253 PolarHBondContact O-N 2.9Å; M253-P255 VanDerWaalsContact C-CD 3.44Å; M253-P255 VanDerWaalsContact C-N 3.33Å; M253-D256 WeakPolarHBondContact O-CB 3.29Å; M253-D256 PolarHBondContact O-N 3.29Å; M253-W257 VanDerWaalsContact O-CD1 3.29Å; M253-W257 PolarHBondContact O-N 3.27Å; M253-V460 HydrophobicContact CE-CB 3.86Å; M253-V460 HydrophobicContact CE-CG1 3.43Å; M253-V460 VanDerWaalsContact CE-CG1 3.43Å; M253-E462 HydrophobicContact CE-CB 4.13Å; M253-E462 HydrophobicContact CE-CG 4.42Å; M253-E462 HydrophobicContact CG-CG 3.88Å; M253-E462 HydrophobicContact SD-CB 3.98Å; M253-E462 HydrophobicContact SD-CG 3.93Å
254	W	96.7	Very high	94.1	Very high	16 Å²	16	36.3 Å²	36.3	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-54	-42.6	-177.9	-159.3	-110.5	0	0	0	113.6	R224 L226 L229 L250 D256 W257 L258 Y354 I355	R224-W254 PolarHBondContact O-NE1 3.5Å; R224-W254 VanDerWaalsContact O-NE1 3.09Å; L226-W254 HydrophobicContact CB-CD2 3.9Å; L226-W254 HydrophobicContact CB-CG 4.01Å; L226-W254 HydrophobicContact CB-CZ2 4.13Å; L226-W254 HydrophobicContact CD1-CD2 3.78Å; L226-W254 HydrophobicContact CD1-CE3 3.72Å; L226-W254 HydrophobicContact CD1-CG 4.15Å; L226-W254 HydrophobicContact CD1-CZ3 4.16Å; L226-W254 HydrophobicContact CD2-CB 4.02Å; L226-W254 HydrophobicContact CD2-CD2 4.43Å; L226-W254 HydrophobicContact CD2-CG 3.96Å; L226-W254 HydrophobicContact CG-CD2 4.23Å; L226-W254 HydrophobicContact CG-CG 4.26Å; L229-W254 HydrophobicContact CD2-CH2 4.12Å; L229-W254 HydrophobicContact CD2-CZ3 3.77Å; L250-W254 WeakPolarHBondContact O-CA 3.36Å; L250-W254 VanDerWaalsContact O-CB 3.3Å; L250-W254 WeakPolarHBondContact O-CB 3.49Å; L250-W254 PolarHBondContact O-N 2.79Å; W254-D256 VanDerWaalsContact C-N 3.3Å; W254-D256 PolarHBondContact O-N 3.14Å; W254-W257 WeakPolarHBondContact O-CB 3.31Å; W254-W257 PolarHBondContact O-N 3.45Å; W254-L258 WeakPolarHBondContact O-CG 3.47Å; W254-L258 PolarHBondContact O-N 2.89Å; W254-Y354 AromaticContact CH2-CD1 3.96Å; W254-Y354 HydrophobicContact CH2-CD1 3.96Å; W254-Y354 HydrophobicContact CH2-CE1 4.24Å; W254-I355 HydrophobicContact CH2-CD1 4.09Å; W254-I355 HydrophobicContact CH2-CG1 3.76Å; W254-I355 HydrophobicContact CZ2-CG1 4.42Å; W254-I355 HydrophobicContact CZ3-CD1 4.05Å; W254-I355 HydrophobicContact CZ3-CG1 4.19Å
255	P	95.3	Very high	94.3	Very high	82 Å²	82	34 Å²	34	53%	0.532	18%	0.18	S	C	.	.	H	α-helix	trans	-57.6	-41.3	175.1	-24.9	36.3	0	0	0	113.1	R252 M253 L258 A259	R252-P255 WeakPolarHBondContact O-CD 3.36Å; M253-P255 VanDerWaalsContact C-CD 3.44Å; M253-P255 VanDerWaalsContact C-N 3.33Å; P255-L258 PolarHBondContact O-N 3.43Å; P255-A259 PolarHBondContact O-N 2.92Å
256	D	94.5	Very high	94.3	Very high	53 Å²	53	36.9 Å²	36.9	28%	0.283	20%	0.196	S	C	.	.	H	α-helix	trans	-67.8	-39.5	177.6	-73.2	-0.3	0	0	0	111.8	M253 W254 A259 G260 P640	M253-D256 WeakPolarHBondContact O-CB 3.29Å; M253-D256 PolarHBondContact O-N 3.29Å; W254-D256 VanDerWaalsContact C-N 3.3Å; W254-D256 PolarHBondContact O-N 3.14Å; D256-A259 PolarHBondContact O-N 3.24Å; D256-G260 PolarHBondContact O-N 3.43Å; D256-P640 HydrophobicContact CB-CG 4.12Å
257	W	97.8	Very high	94.1	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-44.6	172.9	-82.7	110.6	0	0	0	111.9	M253 W254 G260 I261 D348 A351 A352 I355 V460 P640 F643 L644	M253-W257 VanDerWaalsContact O-CD1 3.29Å; M253-W257 PolarHBondContact O-N 3.27Å; W254-W257 WeakPolarHBondContact O-CB 3.31Å; W254-W257 PolarHBondContact O-N 3.45Å; W257-G260 PolarHBondContact O-N 2.93Å; W257-I261 WeakPolarHBondContact O-CG2 3.38Å; W257-I261 PolarHBondContact O-N 2.98Å; W257-D348 HydrophobicContact CH2-CB 4.41Å; W257-D348 HydrophobicContact CZ2-CB 3.9Å; W257-A351 HydrophobicContact CD2-CB 4.17Å; W257-A351 HydrophobicContact CH2-CB 4.39Å; W257-A351 HydrophobicContact CZ2-CB 3.79Å; W257-A352 HydrophobicContact CH2-CB 3.91Å; W257-A352 HydrophobicContact CZ3-CB 3.89Å; W257-I355 HydrophobicContact CB-CD1 3.66Å; W257-I355 HydrophobicContact CD2-CD1 3.89Å; W257-I355 HydrophobicContact CE3-CD1 3.69Å; W257-I355 HydrophobicContact CG-CD1 3.91Å; W257-V460 HydrophobicContact CH2-CG2 3.59Å; W257-V460 HydrophobicContact CZ2-CB 4.42Å; W257-V460 HydrophobicContact CZ2-CG2 3.59Å; W257-V460 HydrophobicContact CZ3-CG2 4.43Å; W257-P640 HydrophobicContact CD2-CB 4.16Å; W257-P640 HydrophobicContact CE3-CB 3.81Å; W257-P640 HydrophobicContact CZ3-CB 4.18Å; W257-F643 HydrophobicContact CH2-CB 4.49Å; W257-F643 AromaticContact CH2-CD1 3.86Å; W257-F643 HydrophobicContact CH2-CD1 3.86Å; W257-F643 HydrophobicContact CH2-CE1 4.42Å; W257-F643 HydrophobicContact CH2-CG 4.3Å; W257-F643 HydrophobicContact CZ3-CD1 4.36Å; W257-L644 HydrophobicContact CE3-CD1 4.24Å; W257-L644 HydrophobicContact CE3-CG 4.33Å; W257-L644 HydrophobicContact CZ3-CD1 4.33Å; W257-L644 HydrophobicContact CZ3-CD2 4.17Å; W257-L644 HydrophobicContact CZ3-CG 3.94Å
258	L	97.1	Very high	93.7	Very high	47 Å²	47	36.1 Å²	36.1	25%	0.246	19%	0.193	C	C	.	.	H	α-helix	trans	-63.4	-43.4	176	-67.4	-176.8	0	0	0	111.5	R224 W254 P255 G260 I261 L262	R224-L258 HydrophobicContact CB-CD2 3.63Å; R224-L258 HydrophobicContact CG-CD2 3.78Å; W254-L258 WeakPolarHBondContact O-CG 3.47Å; W254-L258 PolarHBondContact O-N 2.89Å; P255-L258 PolarHBondContact O-N 3.43Å; L258-G260 VanDerWaalsContact C-N 3.33Å; L258-G260 PolarHBondContact O-N 3.09Å; L258-I261 VanDerWaalsContact O-CG2 3.28Å; L258-I261 WeakPolarHBondContact O-CG2 3.4Å; L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 WeakPolarHBondContact O-CD1 3.34Å; L258-L262 WeakPolarHBondContact O-CG 3.23Å; L258-L262 PolarHBondContact O-N 2.9Å
259	A	95.3	Very high	93.3	Very high	44 Å²	44	38 Å²	38	36%	0.364	20%	0.201	S	C	.	.	H	α-helix	trans	-61	-42.8	174.2	0	0	0	0	0	111.6	P255 D256 L262 H263	P255-A259 PolarHBondContact O-N 2.92Å; D256-A259 PolarHBondContact O-N 3.24Å; A259-L262 PolarHBondContact O-N 3.34Å; A259-H263 PolarHBondContact O-CD2 3.21Å; A259-H263 VanDerWaalsContact O-CD2 3.3Å; A259-H263 PolarHBondContact O-N 2.93Å
260	G	96.2	Very high	92.7	Very high	6 Å²	6	40.9 Å²	40.9	6%	0.062	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-46.3	179	0	0	0	0	0	113.9	D256 W257 L258 L262 H263 Y264	D256-G260 PolarHBondContact O-N 3.43Å; W257-G260 PolarHBondContact O-N 2.93Å; L258-G260 VanDerWaalsContact C-N 3.33Å; L258-G260 PolarHBondContact O-N 3.09Å; G260-L262 VanDerWaalsContact C-N 3.31Å; G260-L262 PolarHBondContact O-N 3.44Å; G260-H263 PolarHBondContact O-N 3.41Å; G260-Y264 PolarHBondContact O-N 3.46Å
261	I	96.5	Very high	91.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.8	-32.9	176.4	-171.2	61	0	0	0	111.8	I222 W257 L258 Y264 I265 I355 L644	I222-I261 HydrophobicContact CD1-CD1 4.18Å; I222-I261 HydrophobicContact CD1-CG1 4.39Å; I222-I261 HydrophobicContact CG2-CD1 4.33Å; I222-I261 HydrophobicContact CG2-CG1 3.73Å; W257-I261 WeakPolarHBondContact O-CG2 3.38Å; W257-I261 PolarHBondContact O-N 2.98Å; L258-I261 VanDerWaalsContact O-CG2 3.28Å; L258-I261 WeakPolarHBondContact O-CG2 3.4Å; I261-Y264 HydrophobicContact CD1-CD1 4.05Å; I261-Y264 PolarHBondContact O-N 3.49Å; I261-I265 HydrophobicContact CG1-CD1 4.09Å; I261-I265 HydrophobicContact CG1-CG1 4.46Å; I261-I265 WeakPolarHBondContact O-CB 3.39Å; I261-I265 WeakPolarHBondContact O-CD1 3.36Å; I261-I265 VanDerWaalsContact O-CG1 3.24Å; I261-I265 WeakPolarHBondContact O-CG1 3.23Å; I261-I265 PolarHBondContact O-N 2.92Å; I261-I355 HydrophobicContact CB-CG2 3.93Å; I261-I355 HydrophobicContact CD1-CG2 4.1Å; I261-I355 HydrophobicContact CG1-CG2 3.78Å; I261-I355 HydrophobicContact CG2-CG2 4.24Å; I261-L644 HydrophobicContact CB-CD1 3.77Å; I261-L644 HydrophobicContact CD1-CD1 4Å; I261-L644 HydrophobicContact CG1-CD1 4.43Å
262	L	95.4	Very high	89.5	Confident	70 Å²	70	42.4 Å²	42.4	37%	0.366	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-46.1	173.7	-74	170.4	0	0	0	111.7	L258 A259 G260 Y264 I265 N266	L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 WeakPolarHBondContact O-CD1 3.34Å; L258-L262 WeakPolarHBondContact O-CG 3.23Å; L258-L262 PolarHBondContact O-N 2.9Å; A259-L262 PolarHBondContact O-N 3.34Å; G260-L262 VanDerWaalsContact C-N 3.31Å; G260-L262 PolarHBondContact O-N 3.44Å; L262-Y264 VanDerWaalsContact C-N 3.27Å; L262-Y264 PolarHBondContact O-N 3.41Å; L262-I265 PolarHBondContact O-N 2.73Å; L262-N266 WeakPolarHBondContact O-CB 3.49Å; L262-N266 PolarHBondContact O-N 2.92Å; L262-N266 PolarHBondContact O-ND2 3.4Å
263	H	93.1	Very high	87.3	Confident	82 Å²	82	42.8 Å²	42.8	38%	0.38	25%	0.245	S	C	.	.	H	α-helix	trans	-57.5	-42.4	172.3	-88	-69.7	0	0	0	111.9	A259 G260 N266 G267 W641 Y751	A259-H263 PolarHBondContact O-CD2 3.21Å; A259-H263 VanDerWaalsContact O-CD2 3.3Å; A259-H263 PolarHBondContact O-N 2.93Å; G260-H263 PolarHBondContact O-N 3.41Å; H263-N266 PolarHBondContact O-N 3.19Å; H263-G267 PolarHBondContact O-N 3.46Å; H263-W641 HydrophobicContact CB-CD2 4.04Å; H263-W641 HydrophobicContact CB-CE3 3.97Å; H263-W641 HydrophobicContact CB-CG 4.33Å; H263-Y751 PolarHBondContact ND1-OH 2.86Å; H263-Y751 WeakPolarHBondContact O-CE1 3.33Å
264	Y	94	Very high	84.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-47.6	178.1	-169	-165	0	0	0	112	G260 I261 L262 N266 G267 V268 P304 L306 W641 L644 E645 N648 Y748	G260-Y264 PolarHBondContact O-N 3.46Å; I261-Y264 HydrophobicContact CD1-CD1 4.05Å; I261-Y264 PolarHBondContact O-N 3.49Å; L262-Y264 VanDerWaalsContact C-N 3.27Å; L262-Y264 PolarHBondContact O-N 3.41Å; Y264-N266 PolarHBondContact O-N 2.68Å; Y264-G267 PolarHBondContact O-N 3.4Å; Y264-V268 HydrophobicContact CD2-CG2 3.99Å; Y264-V268 HydrophobicContact CE2-CG2 3.84Å; Y264-V268 WeakPolarHBondContact O-CG2 3.19Å; Y264-V268 PolarHBondContact O-N 3.48Å; Y264-P304 HydrophobicContact CE2-CB 3.86Å; Y264-P304 HydrophobicContact CE2-CG 3.86Å; Y264-P304 WeakPolarHBondContact OH-CB 3.35Å; Y264-L306 HydrophobicContact CD1-CD1 4.17Å; Y264-L306 HydrophobicContact CD1-CD2 4.04Å; Y264-L306 HydrophobicContact CE1-CD1 3.69Å; Y264-L306 HydrophobicContact CE1-CD2 4.14Å; Y264-L306 HydrophobicContact CE1-CG 4.44Å; Y264-L306 HydrophobicContact CG-CD2 4.23Å; Y264-W641 VanDerWaalsContact CB-CD1 3.47Å; Y264-W641 AromaticContact CD2-CD1 3.97Å; Y264-W641 AromaticContact CD2-NE1 3.65Å; Y264-W641 AromaticContact CG-CD1 3.78Å; Y264-W641 AromaticContact CG-NE1 3.95Å; Y264-L644 HydrophobicContact CD1-CB 3.97Å; Y264-L644 HydrophobicContact CE1-CB 4.3Å; Y264-E645 HydrophobicContact CE2-CB 4.49Å; Y264-N648 HydrophobicContact CE1-CB 4.26Å; Y264-N648 PolarHBondContact OH-ND2 3.19Å; Y264-N648 VanDerWaalsContact OH-ND2 3.14Å; Y264-Y748 AromaticContact CD2-CE2 3.77Å; Y264-Y748 HydrophobicContact CD2-CE2 3.77Å; Y264-Y748 AromaticContact CD2-CZ 3.98Å; Y264-Y748 VanDerWaalsContact CD2-OH 3.32Å; Y264-Y748 WeakPolarHBondContact CD2-OH 3.16Å; Y264-Y748 AromaticContact CE2-CE2 3.85Å; Y264-Y748 HydrophobicContact CE2-CE2 3.85Å; Y264-Y748 AromaticContact CE2-CZ 3.8Å; Y264-Y748 WeakPolarHBondContact CE2-OH 3.25Å
265	I	90.9	Very high	82.5	Confident	19 Å²	19	57 Å²	57	10%	0.097	31%	0.311	C	S	.	.	H	α-helix	trans	-59.2	-46.4	175.5	-70.3	163.7	0	0	0	110.9	I222 I261 L262 G267 V268 N269 L306 F307	I222-I265 HydrophobicContact CD1-CD1 3.69Å; I222-I265 HydrophobicContact CD1-CG1 3.79Å; I261-I265 HydrophobicContact CG1-CD1 4.09Å; I261-I265 HydrophobicContact CG1-CG1 4.46Å; I261-I265 WeakPolarHBondContact O-CB 3.39Å; I261-I265 WeakPolarHBondContact O-CD1 3.36Å; I261-I265 VanDerWaalsContact O-CG1 3.24Å; I261-I265 WeakPolarHBondContact O-CG1 3.23Å; I261-I265 PolarHBondContact O-N 2.92Å; L262-I265 PolarHBondContact O-N 2.73Å; I265-G267 VanDerWaalsContact C-N 3.3Å; I265-G267 PolarHBondContact O-N 2.92Å; I265-V268 PolarHBondContact O-N 3.39Å; I265-N269 WeakPolarHBondContact O-CB 3.47Å; I265-N269 PolarHBondContact O-N 3.27Å; I265-L306 HydrophobicContact CG1-CD2 4.03Å; I265-F307 HydrophobicContact CG1-CZ 4.28Å; I265-F307 HydrophobicContact CG2-CZ 4.17Å
266	N	89.8	Confident	80.1	Confident	83 Å²	83	58.2 Å²	58.2	44%	0.444	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-39.9	-179.9	-71.1	-15	0	0	0	111.7	L262 H263 Y264 N269 F270 Y751	L262-N266 WeakPolarHBondContact O-CB 3.49Å; L262-N266 PolarHBondContact O-N 2.92Å; L262-N266 PolarHBondContact O-ND2 3.4Å; H263-N266 PolarHBondContact O-N 3.19Å; Y264-N266 PolarHBondContact O-N 2.68Å; N266-N269 CarbonylContact O-C 3.46Å; N266-N269 PolarHBondContact O-N 3.32Å; N266-F270 PolarHBondContact O-N 3.12Å; N266-Y751 HydrophobicContact CB-CE2 4.37Å
267	G	87.7	Confident	77.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-43.7	174.1	0	0	0	0	0	112.7	H263 Y264 I265 N269 F270 Y748 Y751	H263-G267 PolarHBondContact O-N 3.46Å; Y264-G267 PolarHBondContact O-N 3.4Å; I265-G267 VanDerWaalsContact C-N 3.3Å; I265-G267 PolarHBondContact O-N 2.92Å; G267-N269 VanDerWaalsContact C-N 3.26Å; G267-N269 PolarHBondContact O-N 2.94Å; G267-F270 VanDerWaalsContact O-CB 3.25Å; G267-F270 WeakPolarHBondContact O-CB 3.27Å; G267-F270 PolarHBondContact O-N 3.49Å; G267-F270 VanDerWaalsContact O-N 3.14Å; G267-Y748 VanDerWaalsContact C-CD2 3.43Å; G267-Y751 VanDerWaalsContact CA-CE1 3.48Å; G267-Y751 VanDerWaalsContact CA-CG 3.44Å
268	V	85.6	Confident	75.3	Confident	16 Å²	16	62.1 Å²	62.1	10%	0.097	35%	0.347	C	S	.	.	H	α-helix	trans	-63.1	-36.6	177.5	171.2	0	0	0	0	110.6	Y264 I265 F270 Q303 P304 L306 F307 Y748	Y264-V268 HydrophobicContact CD2-CG2 3.99Å; Y264-V268 HydrophobicContact CE2-CG2 3.84Å; Y264-V268 WeakPolarHBondContact O-CG2 3.19Å; Y264-V268 PolarHBondContact O-N 3.48Å; I265-V268 PolarHBondContact O-N 3.39Å; V268-F270 VanDerWaalsContact C-N 3.3Å; V268-Q303 PolarHBondContact O-NE2 2.81Å; V268-P304 HydrophobicContact CG2-CB 4.19Å; V268-P304 HydrophobicContact CG2-CG 4.13Å; V268-L306 HydrophobicContact CG1-CB 4.42Å; V268-L306 HydrophobicContact CG2-CB 4.16Å; V268-L306 HydrophobicContact CG2-CD2 4.05Å; V268-F307 HydrophobicContact CG1-CD2 4.13Å; V268-F307 HydrophobicContact CG1-CE2 3.82Å; V268-Y748 HydrophobicContact CG2-CD2 4.14Å; V268-Y748 HydrophobicContact CG2-CE2 4.13Å
269	N	83.6	Confident	73	Confident	100 Å²	100	63.9 Å²	63.9	54%	0.535	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	2.6	177.5	-66.1	-16.7	0	0	0	113.6	I265 N266 G267	I265-N269 WeakPolarHBondContact O-CB 3.47Å; I265-N269 PolarHBondContact O-N 3.27Å; N266-N269 CarbonylContact O-C 3.46Å; N266-N269 PolarHBondContact O-N 3.32Å; G267-N269 VanDerWaalsContact C-N 3.26Å; G267-N269 PolarHBondContact O-N 2.94Å
270	F	80.1	Confident	70.8	Confident	60 Å²	60	68.7 Å²	68.7	26%	0.263	37%	0.371	S	S	.	.	S	Bend	trans	-66.6	131.1	-177	-167.7	-101.4	0	0	0	110.1	N266 G267 V268 Q272 Y750 Y751	N266-F270 PolarHBondContact O-N 3.12Å; G267-F270 VanDerWaalsContact O-CB 3.25Å; G267-F270 WeakPolarHBondContact O-CB 3.27Å; G267-F270 PolarHBondContact O-N 3.49Å; G267-F270 VanDerWaalsContact O-N 3.14Å; V268-F270 VanDerWaalsContact C-N 3.3Å; F270-Q272 PolarHBondContact O-N 2.94Å; F270-Y750 AromaticContact CE1-CD1 3.89Å; F270-Y750 HydrophobicContact CE1-CD1 3.89Å; F270-Y750 HydrophobicContact CE1-CE1 4.29Å; F270-Y750 HydrophobicContact CZ-CD1 4.43Å; F270-Y750 HydrophobicContact CZ-CE1 4.44Å; F270-Y751 HydrophobicContact CB-CD2 4.04Å; F270-Y751 HydrophobicContact CB-CG 4.29Å; F270-Y751 AromaticContact CD2-CD2 3.48Å; F270-Y751 HydrophobicContact CD2-CD2 3.48Å; F270-Y751 VanDerWaalsContact CD2-CD2 3.48Å; F270-Y751 HydrophobicContact CD2-CE2 4.2Å; F270-Y751 HydrophobicContact CD2-CG 4.39Å; F270-Y751 HydrophobicContact CE2-CD2 4.07Å; F270-Y751 AromaticContact CG-CD2 3.82Å; F270-Y751 HydrophobicContact CG-CD2 3.82Å; F270-Y751 HydrophobicContact CG-CG 4.31Å
271	P	63.8	Low	68.9	Low	91 Å²	91	70.2 Å²	70.2	59%	0.591	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-53.9	136.5	-173.5	-25.6	33	0	0	0	112.8	G747	P271-G747 PolarHBondContact O-N 2.9Å
272	Q	59.2	Low	66.7	Low	67 Å²	67	77.8 Å²	77.8	31%	0.313	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-102.2	120.5	166.9	-67.6	178.1	-4	0	0	107.4	F270 N274	F270-Q272 PolarHBondContact O-N 2.94Å; Q272-N274 PolarHBondContact O-N 3.35Å
273	A	45.9	Very low	64.7	Low	59 Å²	59	82.5 Å²	82.5	49%	0.488	43%	0.432	S	S	.	.	S	Bend	trans	-67.8	129.3	175.6	0	0	0	0	0	110.8	N746	A273-N746 HydrophobicContact CB-CB 4.38Å; A273-N746 WeakPolarHBondContact CB-ND2 3.27Å
274	N	43.6	Very low	63	Low	160 Å²	160	80.3 Å²	80.3	86%	0.856	43%	0.425	S	S	*	.			trans	52	64.4	161.1	-77.1	-5.6	0	0	0	118.2	Q272	Q272-N274 PolarHBondContact O-N 3.35Å
275	Y	47.8	Very low	61.1	Low	158 Å²	158	83.1 Å²	83.1	62%	0.62	45%	0.445	S	S	*	.			trans	-114	84.4	147.1	-95.5	-84.1	0	0	0	109.5	S277 L278	Y275-S277 WeakPolarHBondContact CD1-OG 3.35Å; Y275-S277 PolarHBondContact O-N 3.05Å; Y275-L278 PolarHBondContact O-N 3.42Å
276	S	43.3	Very low	59.3	Low	107 Å²	107	88.3 Å²	88.3	75%	0.748	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-60.1	-8.1	169.1	47.1	0	0	0	0	113.3
277	S	45.8	Very low	57.7	Low	65 Å²	65	91.2 Å²	91.2	46%	0.455	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-77.1	-16.3	175.6	72.2	0	0	0	0	114.1	Y275	Y275-S277 WeakPolarHBondContact CD1-OG 3.35Å; Y275-S277 PolarHBondContact O-N 3.05Å
278	L	47	Very low	56.3	Low	70 Å²	70	94.9 Å²	94.9	37%	0.366	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-80.4	-17.3	178.3	-106.7	107.1	0	0	0	113.8	Y275 H280 C281 K282 L300	Y275-L278 PolarHBondContact O-N 3.42Å; L278-H280 PolarHBondContact O-N 3.19Å; L278-C281 WeakPolarHBondContact O-CB 3.14Å; L278-C281 PolarHBondContact O-N 2.95Å; L278-K282 PolarHBondContact O-N 3.4Å; L278-L300 HydrophobicContact CD1-CD1 3.84Å
279	D	48.5	Very low	54.8	Low	84 Å²	84	98.3 Å²	98.3	45%	0.449	53%	0.532	S	S	.	.	H	α-helix	trans	-64.4	-27	172.5	-85.6	-28.6	0	0	0	111.2	C281 K282 F283	D279-C281 VanDerWaalsContact C-N 3.27Å; D279-C281 PolarHBondContact O-N 3.13Å; D279-K282 WeakPolarHBondContact O-CB 3.4Å; D279-K282 PolarHBondContact O-N 2.85Å; D279-K282 IonicContact OD1-NZ 3.04Å; D279-K282 PolarHBondContact OD1-NZ 3.48Å; D279-F283 WeakPolarHBondContact O-CD2 3.41Å
280	H	49.4	Very low	53.2	Low	145 Å²	145	96.3 Å²	96.3	67%	0.671	53%	0.529	S	S	*	.	H	α-helix	trans	-63.3	-31.9	169.5	-99.7	67.8	0	0	0	112.8	L278 K282 F283 C284	L278-H280 PolarHBondContact O-N 3.19Å; H280-K282 VanDerWaalsContact C-N 3.28Å; H280-K282 PolarHBondContact O-N 2.81Å; H280-F283 PolarHBondContact O-N 3.2Å; H280-C284 PolarHBondContact O-N 3.1Å
281	C	55.3	Low	52.1	Low	39 Å²	39	94.5 Å²	94.5	26%	0.264	52%	0.524	S	S	.	.	H	α-helix	trans	-73.1	-18.5	177.4	-65.9	0	0	0	0	113.5	L278 D279 F283 C295	L278-C281 WeakPolarHBondContact O-CB 3.14Å; L278-C281 PolarHBondContact O-N 2.95Å; D279-C281 VanDerWaalsContact C-N 3.27Å; D279-C281 PolarHBondContact O-N 3.13Å; C281-F283 VanDerWaalsContact C-N 3.27Å; C281-C295 WeakPolarHBondContact CA-SG 3.23Å; C281-C295 HydrophobicContact CB-CB 3.89Å; C281-C295 WeakPolarHBondContact CB-SG 3.45Å; C281-C295 WeakPolarHBondContact SG-CB 3.42Å; C281-C295 CovalentContact SG-SG 2.04Å; C281-C295 PolarHBondContact SG-SG 2.84Å
282	K	50.2	Low	51.8	Low	158 Å²	158	91.6 Å²	91.6	69%	0.687	51%	0.508	S	S	*	.	H	α-helix	trans	-72.9	-21	170.9	-74.5	179	-174.8	151.7	0	112.9	L278 D279 H280	L278-K282 PolarHBondContact O-N 3.4Å; D279-K282 WeakPolarHBondContact O-CB 3.4Å; D279-K282 PolarHBondContact O-N 2.85Å; D279-K282 IonicContact OD1-NZ 3.04Å; D279-K282 PolarHBondContact OD1-NZ 3.48Å; H280-K282 VanDerWaalsContact C-N 3.28Å; H280-K282 PolarHBondContact O-N 2.81Å
283	F	53.5	Low	51.3	Low	169 Å²	169	92.3 Å²	92.3	74%	0.741	51%	0.513	S	S	*	.	S	Bend	trans	-110.8	10.5	-175.7	-59	-71.3	0	0	0	113.5	D279 H280 C281 S285	D279-F283 WeakPolarHBondContact O-CD2 3.41Å; H280-F283 PolarHBondContact O-N 3.2Å; C281-F283 VanDerWaalsContact C-N 3.27Å; F283-S285 PolarHBondContact O-N 2.89Å
284	C	58.8	Low	51.3	Low	37 Å²	37	94.2 Å²	94.2	25%	0.25	51%	0.514	C	S	.	.			trans	-61.8	116.5	174	-68.4	0	0	0	0	109.7	H280 C291 C295	H280-C284 PolarHBondContact O-N 3.1Å; C284-C291 VanDerWaalsContact CA-SG 3.54Å; C284-C291 HydrophobicContact CB-CB 3.88Å; C284-C291 WeakPolarHBondContact CB-SG 3.24Å; C284-C291 VanDerWaalsContact SG-C 3.58Å; C284-C291 WeakPolarHBondContact SG-CB 3.45Å; C284-C291 CovalentContact SG-SG 2.04Å; C284-C291 PolarHBondContact SG-SG 3.41Å; C284-C295 PolarHBondContact SG-SG 3.44Å
285	S	53.1	Low	51.7	Low	59 Å²	59	88.2 Å²	88.2	41%	0.413	49%	0.485	S	S	.	.			trans	-63.4	144.2	169.2	-178.3	0	0	0	0	109.7	F283 D287 D288	F283-S285 PolarHBondContact O-N 2.89Å; S285-D287 PolarHBondContact O-N 3.15Å; S285-D288 PolarHBondContact O-N 2.65Å
286	P	52.5	Low	51.7	Low	127 Å²	127	86.6 Å²	86.6	83%	0.825	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-22.8	174.8	-25.1	33.6	0	0	0	114.6
287	D	56.6	Low	51.5	Low	145 Å²	145	85.8 Å²	85.8	78%	0.775	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-11.1	-178.1	-57.8	-35.5	0	0	0	113.3	S285 I289	S285-D287 PolarHBondContact O-N 3.15Å; D287-I289 PolarHBondContact O-N 3.21Å
288	D	58.2	Low	51.2	Low	76 Å²	76	85.6 Å²	85.6	41%	0.406	47%	0.473	S	S	.	.			trans	-92.8	82.6	-179.6	-164.9	-19.8	0	0	0	111	S285 A290 C291 A292	S285-D288 PolarHBondContact O-N 2.65Å; D288-A290 PolarHBondContact O-N 2.93Å; D288-A290 PolarHBondContact OD1-N 3.08Å; D288-C291 HydrophobicContact CB-CB 3.8Å; D288-C291 PolarHBondContact O-N 3.43Å; D288-C291 PolarHBondContact OD1-N 3.16Å; D288-A292 PolarHBondContact O-N 3.25Å
289	I	54.5	Low	51.4	Low	88 Å²	88	87.6 Å²	87.6	45%	0.451	48%	0.479	S	S	.	.	H	α-helix	trans	-60.2	-34.2	-179.6	-60.2	171.7	0	0	0	111	D287 A292 D293	D287-I289 PolarHBondContact O-N 3.21Å; I289-A292 PolarHBondContact O-N 3.17Å; I289-D293 VanDerWaalsContact O-CB 3.31Å; I289-D293 WeakPolarHBondContact O-CB 3.43Å; I289-D293 VanDerWaalsContact O-CG 3.25Å; I289-D293 PolarHBondContact O-N 3.17Å
290	A	51	Low	51.6	Low	58 Å²	58	85.9 Å²	85.9	48%	0.479	47%	0.47	S	S	.	.	H	α-helix	trans	-69.2	-42	177.5	0	0	0	0	0	111.2	D288 D293 I294	D288-A290 PolarHBondContact O-N 2.93Å; D288-A290 PolarHBondContact OD1-N 3.08Å; A290-D293 PolarHBondContact O-N 2.73Å; A290-I294 VanDerWaalsContact O-CB 3.22Å; A290-I294 WeakPolarHBondContact O-CB 3.28Å; A290-I294 WeakPolarHBondContact O-CD1 3.01Å; A290-I294 WeakPolarHBondContact O-CG1 3.3Å; A290-I294 PolarHBondContact O-N 3.08Å
291	C	56.6	Low	51.8	Low	23 Å²	23	85.5 Å²	85.5	16%	0.155	47%	0.471	C	S	.	.	H	α-helix	trans	-61.9	-44.4	172.7	-164.7	0	0	0	0	111.3	C284 D288 I294 C295	C284-C291 VanDerWaalsContact CA-SG 3.54Å; C284-C291 HydrophobicContact CB-CB 3.88Å; C284-C291 WeakPolarHBondContact CB-SG 3.24Å; C284-C291 VanDerWaalsContact SG-C 3.58Å; C284-C291 WeakPolarHBondContact SG-CB 3.45Å; C284-C291 CovalentContact SG-SG 2.04Å; C284-C291 PolarHBondContact SG-SG 3.41Å; D288-C291 HydrophobicContact CB-CB 3.8Å; D288-C291 PolarHBondContact O-N 3.43Å; D288-C291 PolarHBondContact OD1-N 3.16Å; C291-I294 PolarHBondContact O-N 3.12Å; C291-C295 VanDerWaalsContact O-CB 3.25Å; C291-C295 WeakPolarHBondContact O-CB 3.44Å; C291-C295 PolarHBondContact O-N 2.94Å; C291-C295 PolarHBondContact O-SG 2.76Å
292	A	56.3	Low	52.3	Low	30 Å²	30	83.8 Å²	83.8	25%	0.248	46%	0.46	C	S	.	.	H	α-helix	trans	-63.6	-44	177.3	0	0	0	0	0	112.5	D288 I289 C295 Q296	D288-A292 PolarHBondContact O-N 3.25Å; I289-A292 PolarHBondContact O-N 3.17Å; A292-C295 PolarHBondContact O-N 2.68Å; A292-Q296 VanDerWaalsContact O-CB 3.26Å; A292-Q296 WeakPolarHBondContact O-CB 3.36Å; A292-Q296 WeakPolarHBondContact O-CG 3.38Å; A292-Q296 PolarHBondContact O-N 3.27Å
293	D	49.1	Very low	53.4	Low	81 Å²	81	78 Å²	78	43%	0.433	44%	0.436	S	S	.	.	H	α-helix	trans	-69.6	-38.4	177.6	-72.8	-14.9	0	0	0	111.4	I289 A290 Q296 S297	I289-D293 VanDerWaalsContact O-CB 3.31Å; I289-D293 WeakPolarHBondContact O-CB 3.43Å; I289-D293 VanDerWaalsContact O-CG 3.25Å; I289-D293 PolarHBondContact O-N 3.17Å; A290-D293 PolarHBondContact O-N 2.73Å; D293-Q296 CarbonylContact O-C 3.59Å; D293-Q296 PolarHBondContact O-N 3.23Å; D293-S297 WeakPolarHBondContact O-CB 3.27Å; D293-S297 PolarHBondContact O-N 2.95Å; D293-S297 PolarHBondContact O-OG 3.35Å
294	I	47.2	Very low	54.9	Low	99 Å²	99	70.3 Å²	70.3	51%	0.508	40%	0.402	S	S	.	.	H	α-helix	trans	-62.8	-49.1	173	-71.9	165.1	0	0	0	109.7	A290 C291 Q296 S297 T298	A290-I294 VanDerWaalsContact O-CB 3.22Å; A290-I294 WeakPolarHBondContact O-CB 3.28Å; A290-I294 WeakPolarHBondContact O-CD1 3.01Å; A290-I294 WeakPolarHBondContact O-CG1 3.3Å; A290-I294 PolarHBondContact O-N 3.08Å; C291-I294 PolarHBondContact O-N 3.12Å; I294-Q296 VanDerWaalsContact C-N 3.29Å; I294-Q296 PolarHBondContact O-N 3.18Å; I294-S297 WeakPolarHBondContact CA-OG 3.46Å; I294-S297 CarbonylContact O-C 3.46Å; I294-S297 WeakPolarHBondContact O-CA 3.41Å; I294-S297 PolarHBondContact O-N 2.81Å; I294-S297 PolarHBondContact O-OG 2.94Å; I294-T298 HydrophobicContact CG2-CG2 4.16Å; I294-T298 WeakPolarHBondContact O-CG2 3.38Å; I294-T298 PolarHBondContact O-N 3.22Å; I294-T298 PolarHBondContact O-OG1 3.28Å
295	C	50.8	Low	56.1	Low	34 Å²	34	72.4 Å²	72.4	23%	0.23	41%	0.407	C	S	.	.	H	α-helix	trans	-67.2	-28.4	178.8	-69.6	0	0	0	0	113.2	C281 C284 C291 A292 T298	C281-C295 WeakPolarHBondContact CA-SG 3.23Å; C281-C295 HydrophobicContact CB-CB 3.89Å; C281-C295 WeakPolarHBondContact CB-SG 3.45Å; C281-C295 WeakPolarHBondContact SG-CB 3.42Å; C281-C295 CovalentContact SG-SG 2.04Å; C281-C295 PolarHBondContact SG-SG 2.84Å; C284-C295 PolarHBondContact SG-SG 3.44Å; C291-C295 VanDerWaalsContact O-CB 3.25Å; C291-C295 WeakPolarHBondContact O-CB 3.44Å; C291-C295 PolarHBondContact O-N 2.94Å; C291-C295 PolarHBondContact O-SG 2.76Å; A292-C295 PolarHBondContact O-N 2.68Å; C295-T298 VanDerWaalsContact CA-OG1 3.31Å; C295-T298 WeakPolarHBondContact CA-OG1 3.38Å; C295-T298 PolarHBondContact O-OG1 3.45Å
296	Q	48	Very low	57.7	Low	125 Å²	125	69.7 Å²	69.7	58%	0.584	39%	0.388	S	S	*	.	H	α-helix	trans	-75.7	-28.1	169.4	-75.1	179.1	25.5	0	0	112.8	A292 D293 I294 K299	A292-Q296 VanDerWaalsContact O-CB 3.26Å; A292-Q296 WeakPolarHBondContact O-CB 3.36Å; A292-Q296 WeakPolarHBondContact O-CG 3.38Å; A292-Q296 PolarHBondContact O-N 3.27Å; D293-Q296 CarbonylContact O-C 3.59Å; D293-Q296 PolarHBondContact O-N 3.23Å; I294-Q296 VanDerWaalsContact C-N 3.29Å; I294-Q296 PolarHBondContact O-N 3.18Å; Q296-K299 WeakPolarHBondContact O-CG 3.45Å
297	S	40	Very low	59.3	Low	89 Å²	89	68 Å²	68	62%	0.622	37%	0.368	S	S	*	.	H	α-helix	trans	-83.8	-27.3	176.8	81	0	0	0	0	113.1	D293 I294 K299	D293-S297 WeakPolarHBondContact O-CB 3.27Å; D293-S297 PolarHBondContact O-N 2.95Å; D293-S297 PolarHBondContact O-OG 3.35Å; I294-S297 WeakPolarHBondContact CA-OG 3.46Å; I294-S297 CarbonylContact O-C 3.46Å; I294-S297 WeakPolarHBondContact O-CA 3.41Å; I294-S297 PolarHBondContact O-N 2.81Å; I294-S297 PolarHBondContact O-OG 2.94Å; S297-K299 PolarHBondContact O-N 3.39Å
298	T	39.6	Very low	60.3	Low	61 Å²	61	63 Å²	63	37%	0.374	35%	0.351	S	S	.	.			trans	-77	36.4	172.8	56.9	0	0	0	0	111.7	I294 C295 L300	I294-T298 HydrophobicContact CG2-CG2 4.16Å; I294-T298 WeakPolarHBondContact O-CG2 3.38Å; I294-T298 PolarHBondContact O-N 3.22Å; I294-T298 PolarHBondContact O-OG1 3.28Å; C295-T298 VanDerWaalsContact CA-OG1 3.31Å; C295-T298 WeakPolarHBondContact CA-OG1 3.38Å; C295-T298 PolarHBondContact O-OG1 3.45Å; T298-L300 PolarHBondContact O-N 3.38Å
299	K	50.2	Low	61.7	Low	113 Å²	113	59.5 Å²	59.5	49%	0.491	33%	0.332	S	S	.	.			trans	-60.3	104.2	168.9	-88.1	171.8	179.6	174.5	0	107.6	Q296 S297 I301	Q296-K299 WeakPolarHBondContact O-CG 3.45Å; S297-K299 PolarHBondContact O-N 3.39Å; K299-I301 PolarHBondContact O-N 3.32Å
300	L	51.7	Low	63.1	Low	48 Å²	48	58.2 Å²	58.2	25%	0.251	33%	0.329	S	S	.	.			trans	-47.5	114.1	169.4	-80.8	138.5	0	0	0	108.3	L278 T298 G302 Q303	L278-L300 HydrophobicContact CD1-CD1 3.84Å; T298-L300 PolarHBondContact O-N 3.38Å; L300-G302 PolarHBondContact O-N 3.47Å; L300-Q303 HydrophobicContact CB-CB 3.89Å; L300-Q303 WeakPolarHBondContact O-CB 3.47Å; L300-Q303 PolarHBondContact O-N 3.32Å; L300-Q303 VanDerWaalsContact O-N 3.08Å
301	I	55.5	Low	65	Low	136 Å²	136	59.4 Å²	59.4	70%	0.697	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	126.8	179.6	-64.2	174.7	0	0	0	107.9	K299 N854	K299-I301 PolarHBondContact O-N 3.32Å; I301-N854 HydrophobicContact CG2-CB 4.35Å; I301-N854 WeakPolarHBondContact CG2-OD1 3.2Å
302	G	63.9	Low	66.8	Low	4 Å²	4	59.5 Å²	59.5	4%	0.041	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	11.3	-179.7	0	0	0	0	0	115.3	L300	L300-G302 PolarHBondContact O-N 3.47Å
303	Q	74.5	Confident	68.4	Low	37 Å²	37	59 Å²	59	17%	0.173	32%	0.316	C	S	.	.			trans	-103.7	117.5	176.6	-170.9	71.5	23	0	0	111.8	V268 L300 F305 L856	V268-Q303 PolarHBondContact O-NE2 2.81Å; L300-Q303 HydrophobicContact CB-CB 3.89Å; L300-Q303 WeakPolarHBondContact O-CB 3.47Å; L300-Q303 PolarHBondContact O-N 3.32Å; L300-Q303 VanDerWaalsContact O-N 3.08Å; Q303-F305 PolarHBondContact O-N 2.75Å; Q303-L856 CarbonylContact O-C 3.5Å
304	P	83.8	Confident	70.6	Confident	6 Å²	6	55.2 Å²	55.2	4%	0.039	30%	0.295	C	S	.	.			trans	-64.8	134.6	178.3	-15.5	24.5	0	0	0	112.9	Y264 V268 L306 Y748 L856	Y264-P304 HydrophobicContact CE2-CB 3.86Å; Y264-P304 HydrophobicContact CE2-CG 3.86Å; Y264-P304 WeakPolarHBondContact OH-CB 3.35Å; V268-P304 HydrophobicContact CG2-CB 4.19Å; V268-P304 HydrophobicContact CG2-CG 4.13Å; P304-L306 PolarHBondContact O-N 3.42Å; P304-L306 VanDerWaalsContact O-N 3.17Å; P304-Y748 VanDerWaalsContact CD-CD1 3.4Å; P304-Y748 HydrophobicContact CG-CD1 3.45Å; P304-Y748 VanDerWaalsContact CG-CD1 3.45Å; P304-Y748 HydrophobicContact CG-CD2 3.73Å; P304-Y748 HydrophobicContact CG-CE1 3.38Å; P304-Y748 HydrophobicContact CG-CE2 3.68Å; P304-Y748 HydrophobicContact CG-CG 3.62Å; P304-Y748 VanDerWaalsContact CG-CZ 3.48Å; P304-L856 HydrophobicContact CB-CD2 4.36Å; P304-L856 HydrophobicContact CG-CB 4.33Å; P304-L856 HydrophobicContact CG-CD1 4.16Å; P304-L856 HydrophobicContact CG-CD2 4.18Å; P304-L856 HydrophobicContact CG-CG 4.47Å
305	F	84.1	Confident	72.9	Confident	81 Å²	81	50.5 Å²	50.5	36%	0.355	27%	0.271	S	S	.	.			trans	-80.4	92.1	170	-173.8	-127.3	0	0	0	110.2	Q303 F307 G308 R309 N648 T652	Q303-F305 PolarHBondContact O-N 2.75Å; F305-F307 WeakPolarHBondContact CE2-O 3.4Å; F305-F307 WeakPolarHBondContact CZ-O 3.28Å; F305-G308 WeakPolarHBondContact CZ-O 3.48Å; F305-R309 HydrophobicContact CD1-CG 3.67Å; F305-R309 HydrophobicContact CE1-CB 4.3Å; F305-R309 HydrophobicContact CE1-CG 3.66Å; F305-R309 HydrophobicContact CG-CG 4.35Å; F305-R309 HydrophobicContact CZ-CG 4.32Å; F305-R309 VanDerWaalsContact O-CD 3.23Å; F305-R309 WeakPolarHBondContact O-CD 3.18Å; F305-N648 PolarHBondContact O-ND2 2.87Å; F305-T652 HydrophobicContact CD1-CG2 4.1Å
306	L	88	Confident	75	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	26%	0.26	C	S	.	.			trans	-103.6	-35	-177.9	-176.5	60	0	0	0	114	I222 Y264 I265 V268 P304 R309 L356	I222-L306 HydrophobicContact CD1-CD1 4.4Å; I222-L306 HydrophobicContact CD1-CD2 4.1Å; I222-L306 HydrophobicContact CD1-CG 4.17Å; Y264-L306 HydrophobicContact CD1-CD1 4.17Å; Y264-L306 HydrophobicContact CD1-CD2 4.04Å; Y264-L306 HydrophobicContact CE1-CD1 3.69Å; Y264-L306 HydrophobicContact CE1-CD2 4.14Å; Y264-L306 HydrophobicContact CE1-CG 4.44Å; Y264-L306 HydrophobicContact CG-CD2 4.23Å; I265-L306 HydrophobicContact CG1-CD2 4.03Å; V268-L306 HydrophobicContact CG1-CB 4.42Å; V268-L306 HydrophobicContact CG2-CB 4.16Å; V268-L306 HydrophobicContact CG2-CD2 4.05Å; P304-L306 PolarHBondContact O-N 3.42Å; P304-L306 VanDerWaalsContact O-N 3.17Å; L306-R309 PolarHBondContact O-NE 2.96Å; L306-L356 HydrophobicContact CD1-CD2 3.98Å
307	F	86.3	Confident	77.2	Confident	92 Å²	92	42.9 Å²	42.9	40%	0.404	23%	0.232	S	C	.	.	S	Bend	trans	-102.4	152.5	-179.5	-56.1	-70	0	0	0	111	I222 I265 V268 F305 R309	I222-F307 HydrophobicContact CD1-CE1 3.93Å; I265-F307 HydrophobicContact CG1-CZ 4.28Å; I265-F307 HydrophobicContact CG2-CZ 4.17Å; V268-F307 HydrophobicContact CG1-CD2 4.13Å; V268-F307 HydrophobicContact CG1-CE2 3.82Å; F305-F307 WeakPolarHBondContact CE2-O 3.4Å; F305-F307 WeakPolarHBondContact CZ-O 3.28Å; F307-R309 VanDerWaalsContact C-N 3.25Å; F307-R309 PolarHBondContact O-N 2.82Å
308	G	77	Confident	79.7	Confident	40 Å²	40	38.7 Å²	38.7	41%	0.412	20%	0.203	S	C	.	.	S	Bend	trans	72.1	13.8	-179	0	0	0	0	0	114.9	F305	F305-G308 WeakPolarHBondContact CZ-O 3.48Å
309	R	87.6	Confident	82.1	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.008	19%	0.185	C	C	.	.			trans	-72.9	146.8	178.2	-65.8	-179.7	-68.2	117.7	10	111.3	E219 A220 F305 L306 F307 L356 H358 N648 T652	E219-R309 CarbonylContact C-O 3.59Å; E219-R309 WeakPolarHBondContact CA-O 3.42Å; A220-R309 HydrophobicContact CB-CB 4.46Å; A220-R309 PolarHBondContact N-O 3.46Å; F305-R309 HydrophobicContact CD1-CG 3.67Å; F305-R309 HydrophobicContact CE1-CB 4.3Å; F305-R309 HydrophobicContact CE1-CG 3.66Å; F305-R309 HydrophobicContact CG-CG 4.35Å; F305-R309 HydrophobicContact CZ-CG 4.32Å; F305-R309 VanDerWaalsContact O-CD 3.23Å; F305-R309 WeakPolarHBondContact O-CD 3.18Å; L306-R309 PolarHBondContact O-NE 2.96Å; F307-R309 VanDerWaalsContact C-N 3.25Å; F307-R309 PolarHBondContact O-N 2.82Å; R309-L356 PolarHBondContact NH1-O 3.31Å; R309-L356 PolarHBondContact NH2-O 2.92Å; R309-H358 PolarHBondContact NH1-CE1 2.98Å; R309-H358 PolarHBondContact NH1-NE2 3.47Å; R309-N648 WeakPolarHBondContact CD-OD1 3.35Å; R309-N648 PolarHBondContact NE-OD1 3.4Å; R309-N648 VanDerWaalsContact NE-OD1 3.13Å; R309-N648 PolarHBondContact NH1-OD1 3.45Å; R309-T652 HydrophobicContact CG-CG2 3.78Å
310	P	83.7	Confident	83.8	Confident	61 Å²	61	31.1 Å²	31.1	40%	0.396	17%	0.165	S	C	.	.	B	Isolated β-bridge	trans	-65.2	136.5	170.9	27.5	-33.8	0	0	0	111.4	Y217 L312	Y217-P310 HydrophobicContact CG-CB 4.42Å; P310-L312 PolarHBondContact O-N 3.4Å
311	K	92	Very high	85.5	Confident	84 Å²	84	28.9 Å²	28.9	37%	0.365	15%	0.153	S	C	.	.			trans	-77	103.1	172.9	-175	172.9	-176.7	173.4	0	110.7	S218 A220 G357	S218-K311 WeakPolarHBondContact O-CA 3.4Å; S218-K311 WeakPolarHBondContact O-CB 3.2Å; S218-K311 PolarHBondContact O-N 3.42Å; S218-K311 WeakPolarHBondContact OG-CB 3.37Å; A220-K311 HydrophobicContact CB-CB 4.15Å; K311-G357 VanDerWaalsContact CE-O 3.28Å; K311-G357 WeakPolarHBondContact CE-O 3.3Å; K311-G357 WeakPolarHBondContact CG-O 3.26Å
312	L	92.6	Very high	86.8	Confident	25 Å²	25	22.5 Å²	22.5	13%	0.131	12%	0.12	C	C	.	.			trans	-71.2	144.9	173.7	-51.5	176.6	0	0	0	112.7	P310 I314 H358 K359 D391 L392 L651	P310-L312 PolarHBondContact O-N 3.4Å; L312-I314 HydrophobicContact CB-CD1 4.03Å; L312-I314 HydrophobicContact CB-CG1 3.84Å; L312-I314 HydrophobicContact CD1-CD1 4.4Å; L312-H358 PolarHBondContact N-ND1 3.22Å; L312-K359 PolarHBondContact O-N 3.02Å; L312-D391 VanDerWaalsContact CA-OD2 3.3Å; L312-D391 WeakPolarHBondContact CA-OD2 3.48Å; L312-D391 HydrophobicContact CB-CB 4.23Å; L312-D391 HydrophobicContact CD2-CB 3.99Å; L312-L392 HydrophobicContact CD1-CD1 4.1Å; L312-L651 HydrophobicContact CD1-CB 4.27Å; L312-L651 HydrophobicContact CD1-CD2 4Å
313	N	91.8	Very high	87.2	Confident	20 Å²	20	26.3 Å²	26.3	11%	0.107	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	114.9	164.2	-168.9	21.8	0	0	0	109.6	K359 K389 Y390 D391	N313-K359 CarbonylContact C-O 3.49Å; N313-K359 WeakPolarHBondContact CA-O 3.43Å; N313-K359 WeakPolarHBondContact OD1-CD 3.22Å; N313-K359 WeakPolarHBondContact OD1-CG 3.41Å; N313-K389 PolarHBondContact ND2-O 3.41Å; N313-Y390 CarbonylContact O-C 3.49Å; N313-Y390 VanDerWaalsContact O-CA 3.28Å; N313-Y390 WeakPolarHBondContact O-CA 3.44Å; N313-D391 PolarHBondContact N-OD2 3.18Å; N313-D391 PolarHBondContact O-N 2.88Å
314	I	95	Very high	86.7	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.4	-167.2	-56.8	176.4	0	0	0	109.9	L312 L316 L353 H358 K359 I360 T361 L392 Y394 L651	L312-I314 HydrophobicContact CB-CD1 4.03Å; L312-I314 HydrophobicContact CB-CG1 3.84Å; L312-I314 HydrophobicContact CD1-CD1 4.4Å; I314-L316 HydrophobicContact CG2-CD1 4.34Å; I314-L353 HydrophobicContact CD1-CD1 4.3Å; I314-L353 HydrophobicContact CD1-CD2 3.68Å; I314-L353 HydrophobicContact CG2-CD1 4.1Å; I314-H358 HydrophobicContact CD1-CB 3.88Å; I314-K359 PolarHBondContact N-O 2.95Å; I314-I360 CarbonylContact O-C 3.2Å; I314-I360 WeakPolarHBondContact O-CA 3.44Å; I314-T361 PolarHBondContact O-N 3.36Å; I314-L392 WeakPolarHBondContact CA-O 3.48Å; I314-L392 HydrophobicContact CG1-CB 4.44Å; I314-L392 HydrophobicContact CG2-CB 4.45Å; I314-Y394 HydrophobicContact CG2-CD2 3.54Å; I314-Y394 HydrophobicContact CG2-CE2 3.83Å; I314-L651 HydrophobicContact CD1-CD2 4.2Å
315	L	94.2	Very high	85.6	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.4	170.8	180	64.4	0	0	0	109.4	T361 T363 L373 Y390 L392 I393 Y394	L315-T361 HydrophobicContact CD1-CG2 4.15Å; L315-T363 HydrophobicContact CD1-CG2 3.79Å; L315-L373 HydrophobicContact CD2-CD1 3.68Å; L315-L373 HydrophobicContact CD2-CD2 3.82Å; L315-L373 HydrophobicContact CD2-CG 3.76Å; L315-Y390 HydrophobicContact CB-CD1 3.63Å; L315-Y390 HydrophobicContact CB-CD2 4Å; L315-Y390 HydrophobicContact CB-CE1 3.84Å; L315-Y390 HydrophobicContact CB-CE2 4.19Å; L315-Y390 HydrophobicContact CB-CG 3.7Å; L315-Y390 HydrophobicContact CD1-CE1 4.42Å; L315-Y390 HydrophobicContact CD1-CE2 4.42Å; L315-Y390 HydrophobicContact CD2-CD2 4.36Å; L315-Y390 HydrophobicContact CD2-CE2 4.31Å; L315-Y390 VanDerWaalsContact N-CD1 3.33Å; L315-L392 PolarHBondContact N-O 3.2Å; L315-I393 HydrophobicContact CB-CG1 4.25Å; L315-I393 HydrophobicContact CB-CG2 4.38Å; L315-I393 HydrophobicContact CD2-CD1 4.37Å; L315-I393 HydrophobicContact CD2-CG1 4.48Å; L315-I393 HydrophobicContact CD2-CG2 4.2Å; L315-I393 HydrophobicContact CG-CG2 4.4Å; L315-I393 CarbonylContact O-C 3.58Å; L315-I393 WeakPolarHBondContact O-CA 3.21Å; L315-Y394 PolarHBondContact O-N 2.76Å
316	L	95.7	Very high	84.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.4	168	-61.5	98.8	0	0	0	108.2	I314 W346 L349 I350 L353 I360 T361 I362 T363 Y394	I314-L316 HydrophobicContact CG2-CD1 4.34Å; L316-W346 HydrophobicContact CB-CZ3 4.04Å; L316-W346 HydrophobicContact CD2-CE3 4.12Å; L316-W346 HydrophobicContact CD2-CZ3 3.93Å; L316-W346 HydrophobicContact CG-CZ3 4.44Å; L316-L349 HydrophobicContact CD2-CD2 4.06Å; L316-L349 HydrophobicContact CD2-CG 4.2Å; L316-I350 HydrophobicContact CD2-CG1 3.63Å; L316-L353 HydrophobicContact CD1-CD1 4.21Å; L316-L353 HydrophobicContact CD2-CD1 4.04Å; L316-L353 HydrophobicContact CG-CD1 4.4Å; L316-I360 HydrophobicContact CD1-CB 3.77Å; L316-I360 HydrophobicContact CD1-CG2 3.93Å; L316-T361 PolarHBondContact N-O 2.73Å; L316-I362 HydrophobicContact CB-CG1 4.35Å; L316-I362 HydrophobicContact CD1-CG1 4.33Å; L316-I362 CarbonylContact O-C 3.51Å; L316-I362 WeakPolarHBondContact O-CA 3.39Å; L316-T363 PolarHBondContact O-N 2.91Å; L316-Y394 CarbonylContact C-O 3.39Å; L316-Y394 WeakPolarHBondContact CA-O 3.45Å
317	H	93.9	Very high	82.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	100.6	179.3	-178.6	61.5	0	0	0	110.7	G319 T363 Y364 Y394 T395 L403	H317-G319 PolarHBondContact O-N 3.02Å; H317-T363 WeakPolarHBondContact CA-O 3.24Å; H317-T363 PolarHBondContact ND1-OG1 2.88Å; H317-Y364 PolarHBondContact CE1-O 2.86Å; H317-Y364 VanDerWaalsContact CE1-O 3.24Å; H317-Y394 PolarHBondContact N-O 3.24Å; H317-T395 PolarHBondContact CD2-OG1 3.06Å; H317-T395 VanDerWaalsContact O-CA 3.26Å; H317-T395 WeakPolarHBondContact O-CA 3.4Å; H317-T395 WeakPolarHBondContact O-CB 3.29Å; H317-T395 PolarHBondContact O-OG1 2.93Å; H317-L403 HydrophobicContact CB-CD1 4.09Å
318	M	92.5	Very high	80.7	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.245	C	C	.	.			trans	-87.9	79.8	-177.5	-68.9	-175.8	-83.5	0	0	110.7	M246 F320 L321 W346 I350 I362 T363 Y364	M246-M318 HydrophobicContact CE-CE 4.4Å; M246-M318 HydrophobicContact SD-CE 4.49Å; M318-F320 VanDerWaalsContact C-N 3.29Å; M318-F320 HydrophobicContact CB-CD1 4.18Å; M318-F320 HydrophobicContact CB-CE1 3.9Å; M318-F320 HydrophobicContact CG-CE1 4.12Å; M318-F320 PolarHBondContact O-N 3.47Å; M318-F320 HydrophobicContact SD-CE1 4.3Å; M318-L321 HydrophobicContact CB-CD1 4.18Å; M318-L321 PolarHBondContact O-N 3.29Å; M318-L321 HydrophobicContact SD-CD1 4Å; M318-W346 HydrophobicContact CG-CD2 3.62Å; M318-W346 HydrophobicContact CG-CE3 3.68Å; M318-W346 HydrophobicContact CG-CG 4.15Å; M318-W346 HydrophobicContact CG-CH2 4.17Å; M318-W346 HydrophobicContact CG-CZ2 4.11Å; M318-W346 HydrophobicContact CG-CZ3 3.96Å; M318-W346 HydrophobicContact SD-CB 4.02Å; M318-W346 HydrophobicContact SD-CD2 3.97Å; M318-W346 HydrophobicContact SD-CE3 4.12Å; M318-W346 HydrophobicContact SD-CG 3.93Å; M318-I350 HydrophobicContact CE-CD1 4.4Å; M318-I362 HydrophobicContact CE-CG2 3.3Å; M318-T363 PolarHBondContact N-O 3.4Å; M318-Y364 HydrophobicContact CB-CD1 4.17Å; M318-Y364 HydrophobicContact CB-CE1 4.47Å; M318-Y364 HydrophobicContact CE-CD1 4.11Å; M318-Y364 HydrophobicContact CE-CE1 3.29Å; M318-Y364 HydrophobicContact SD-CE1 4.32Å
319	G	89.9	Confident	79.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-66.3	-27.5	-176.1	0	0	0	0	0	114.1	H317 L321 S322 D396	H317-G319 PolarHBondContact O-N 3.02Å; G319-L321 PolarHBondContact O-N 2.72Å; G319-S322 VanDerWaalsContact O-CB 3.3Å; G319-S322 WeakPolarHBondContact O-CB 3.48Å; G319-S322 PolarHBondContact O-N 3.48Å; G319-S322 VanDerWaalsContact O-N 3.13Å; G319-D396 PolarHBondContact N-OD2 2.98Å
320	F	86.6	Confident	78.8	Confident	15 Å²	15	50.6 Å²	50.6	7%	0.066	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-65	-16.9	176.2	81.1	-78.5	0	0	0	114.1	M318 F325 F330 E342 L343 W346 D396	M318-F320 VanDerWaalsContact C-N 3.29Å; M318-F320 HydrophobicContact CB-CD1 4.18Å; M318-F320 HydrophobicContact CB-CE1 3.9Å; M318-F320 HydrophobicContact CG-CE1 4.12Å; M318-F320 PolarHBondContact O-N 3.47Å; M318-F320 HydrophobicContact SD-CE1 4.3Å; F320-F325 WeakPolarHBondContact O-CD1 3.28Å; F320-F330 AromaticContact CD2-CD1 3.9Å; F320-F330 HydrophobicContact CD2-CD1 3.9Å; F320-F330 AromaticContact CD2-CD2 3.92Å; F320-F330 HydrophobicContact CD2-CD2 3.92Å; F320-F330 AromaticContact CD2-CE1 3.95Å; F320-F330 HydrophobicContact CD2-CE1 3.95Å; F320-F330 AromaticContact CD2-CE2 3.9Å; F320-F330 HydrophobicContact CD2-CE2 3.9Å; F320-F330 AromaticContact CD2-CG 3.89Å; F320-F330 HydrophobicContact CD2-CG 3.89Å; F320-F330 AromaticContact CD2-CZ 3.91Å; F320-F330 HydrophobicContact CD2-CZ 3.91Å; F320-F330 AromaticContact CE2-CD1 3.75Å; F320-F330 HydrophobicContact CE2-CD1 3.75Å; F320-F330 HydrophobicContact CE2-CD2 4.41Å; F320-F330 AromaticContact CE2-CE1 3.47Å; F320-F330 HydrophobicContact CE2-CE1 3.47Å; F320-F330 VanDerWaalsContact CE2-CE1 3.47Å; F320-F330 HydrophobicContact CE2-CE2 4.11Å; F320-F330 HydrophobicContact CE2-CG 4.22Å; F320-F330 AromaticContact CE2-CZ 3.62Å; F320-F330 HydrophobicContact CE2-CZ 3.62Å; F320-F330 WeakPolarHBondContact O-CB 3.3Å; F320-E342 HydrophobicContact CE2-CB 4.19Å; F320-E342 HydrophobicContact CZ-CB 4.28Å; F320-L343 HydrophobicContact CE2-CD2 4.3Å; F320-L343 HydrophobicContact CE2-CG 4.27Å; F320-L343 HydrophobicContact CZ-CD2 3.87Å; F320-L343 HydrophobicContact CZ-CG 4.18Å; F320-W346 AromaticContact CD1-NE1 3.79Å; F320-W346 AromaticContact CE1-CD1 3.3Å; F320-W346 HydrophobicContact CE1-CG 4.13Å; F320-W346 AromaticContact CE1-NE1 3.27Å; F320-W346 VanDerWaalsContact CE1-NE1 3.27Å; F320-W346 AromaticContact CZ-CD1 3.73Å; F320-D396 VanDerWaalsContact CD1-OD2 3.29Å; F320-D396 WeakPolarHBondContact CD1-OD2 3.12Å; F320-D396 PolarHBondContact N-OD2 3.28Å
321	L	86.6	Confident	78.2	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-98.2	-5.9	176.4	-67.7	176.2	0	0	0	113.4	H239 M318 G319 F330 I334 L343 Y364	H239-L321 PolarHBondContact CE1-O 3.38Å; H239-L321 PolarHBondContact ND1-O 3.16Å; H239-L321 VanDerWaalsContact ND1-O 3.12Å; M318-L321 HydrophobicContact CB-CD1 4.18Å; M318-L321 PolarHBondContact O-N 3.29Å; M318-L321 HydrophobicContact SD-CD1 4Å; G319-L321 PolarHBondContact O-N 2.72Å; L321-F330 HydrophobicContact CD2-CB 4.49Å; L321-F330 HydrophobicContact CD2-CD1 3.66Å; L321-F330 HydrophobicContact CD2-CE1 4.28Å; L321-F330 HydrophobicContact CD2-CG 4.4Å; L321-I334 HydrophobicContact CD2-CD1 4.24Å; L321-L343 HydrophobicContact CD1-CD2 4.12Å; L321-L343 HydrophobicContact CD2-CD2 4.48Å; L321-Y364 HydrophobicContact CB-CD1 3.84Å; L321-Y364 HydrophobicContact CD1-CD1 3.83Å; L321-Y364 HydrophobicContact CD1-CE1 3.66Å; L321-Y364 HydrophobicContact CG-CD1 4.5Å
322	S	82.3	Confident	77	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.014	22%	0.222	C	C	.	.			trans	-56.6	143.5	179.1	171.1	0	0	0	0	111.3	G319 D324 F325 E365	G319-S322 VanDerWaalsContact O-CB 3.3Å; G319-S322 WeakPolarHBondContact O-CB 3.48Å; G319-S322 PolarHBondContact O-N 3.48Å; G319-S322 VanDerWaalsContact O-N 3.13Å; S322-D324 PolarHBondContact O-N 2.92Å; S322-D324 PolarHBondContact OG-N 3.14Å; S322-F325 WeakPolarHBondContact O-CB 3.46Å; S322-F325 PolarHBondContact O-N 2.9Å; S322-E365 PolarHBondContact OG-OE2 3.2Å
323	N	73.2	Confident	76	Confident	84 Å²	84	49.5 Å²	49.5	45%	0.449	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.6	176.3	-67.1	-58.1	0	0	0	112.6	F325 E365	N323-F325 PolarHBondContact O-N 2.79Å; N323-E365 WeakPolarHBondContact CB-OE1 3.5Å; N323-E365 PolarHBondContact N-OE1 3.28Å; N323-E365 PolarHBondContact ND2-OE1 2.91Å
324	D	63.7	Low	75.1	Confident	141 Å²	141	49.3 Å²	49.3	75%	0.754	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-13	176	-70.2	-20.2	0	0	0	112.7	S322 Y326	S322-D324 PolarHBondContact O-N 2.92Å; S322-D324 PolarHBondContact OG-N 3.14Å; D324-Y326 PolarHBondContact O-N 2.98Å; D324-Y326 VanDerWaalsContact O-N 3.14Å
325	F	60.4	Low	73.5	Confident	43 Å²	43	51.8 Å²	51.8	19%	0.189	25%	0.248	C	C	.	.	S	Bend	trans	-81.2	96.9	-177.4	-173.9	-108.7	0	0	0	111.9	F320 S322 N323 T398 W434	F320-F325 WeakPolarHBondContact O-CD1 3.28Å; S322-F325 WeakPolarHBondContact O-CB 3.46Å; S322-F325 PolarHBondContact O-N 2.9Å; N323-F325 PolarHBondContact O-N 2.79Å; F325-T398 HydrophobicContact CD2-CG2 3.37Å; F325-T398 HydrophobicContact CE2-CG2 3.81Å; F325-T398 VanDerWaalsContact CE2-OG1 3.23Å; F325-T398 WeakPolarHBondContact CE2-OG1 3.38Å; F325-T398 HydrophobicContact CG-CG2 4.19Å; F325-W434 HydrophobicContact CE2-CH2 4.14Å; F325-W434 HydrophobicContact CZ-CH2 4.17Å
326	Y	53.1	Low	71.9	Confident	163 Å²	163	58.2 Å²	58.2	64%	0.639	28%	0.276	S	S	*	.	S	Bend	trans	55	137.5	179.5	-87.9	-90	0	0	0	114.1	D324 K328 S329	D324-Y326 PolarHBondContact O-N 2.98Å; D324-Y326 VanDerWaalsContact O-N 3.14Å; Y326-K328 CarbonylContact O-C 3.53Å; Y326-K328 PolarHBondContact O-N 3.47Å; Y326-S329 PolarHBondContact O-N 3.37Å
327	K	49.4	Very low	70	Confident	224 Å²	224	58.8 Å²	58.8	97%	0.974	28%	0.282	S	S	*	.	S	Bend	trans	-55.9	3.7	-176.7	-71.7	-179.2	175	179.6	0	116.5
328	K	52.7	Low	68.5	Low	146 Å²	146	58.9 Å²	58.9	64%	0.635	28%	0.283	S	S	*	.	S	Bend	trans	-133.6	89.3	168.3	-62	-178.7	-177.9	176.5	0	107.2	Y326 F330 Y333	Y326-K328 CarbonylContact O-C 3.53Å; Y326-K328 PolarHBondContact O-N 3.47Å; K328-F330 PolarHBondContact O-N 3.15Å; K328-Y333 HydrophobicContact CB-CE2 3.78Å; K328-Y333 WeakPolarHBondContact CD-OH 3.39Å
329	S	60.1	Low	67.2	Low	29 Å²	29	61.4 Å²	61.4	20%	0.203	30%	0.299	C	S	.	.			trans	-53.7	139.2	-173.7	58.8	0	0	0	0	111.2	Y326 E331 S332	Y326-S329 PolarHBondContact O-N 3.37Å; S329-E331 PolarHBondContact O-N 3.31Å; S329-E331 VanDerWaalsContact O-N 3.09Å; S329-S332 WeakPolarHBondContact O-CB 3.43Å; S329-S332 PolarHBondContact O-N 2.98Å; S329-S332 PolarHBondContact O-OG 3.34Å
330	F	65.2	Low	66.7	Low	25 Å²	25	62.5 Å²	62.5	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-47.8	-37.7	171.9	-174.5	-79.5	0	0	0	111.1	F320 L321 K328 S332 Y333 I334 P339 L343	F320-F330 AromaticContact CD2-CD1 3.9Å; F320-F330 HydrophobicContact CD2-CD1 3.9Å; F320-F330 AromaticContact CD2-CD2 3.92Å; F320-F330 HydrophobicContact CD2-CD2 3.92Å; F320-F330 AromaticContact CD2-CE1 3.95Å; F320-F330 HydrophobicContact CD2-CE1 3.95Å; F320-F330 AromaticContact CD2-CE2 3.9Å; F320-F330 HydrophobicContact CD2-CE2 3.9Å; F320-F330 AromaticContact CD2-CG 3.89Å; F320-F330 HydrophobicContact CD2-CG 3.89Å; F320-F330 AromaticContact CD2-CZ 3.91Å; F320-F330 HydrophobicContact CD2-CZ 3.91Å; F320-F330 AromaticContact CE2-CD1 3.75Å; F320-F330 HydrophobicContact CE2-CD1 3.75Å; F320-F330 HydrophobicContact CE2-CD2 4.41Å; F320-F330 AromaticContact CE2-CE1 3.47Å; F320-F330 HydrophobicContact CE2-CE1 3.47Å; F320-F330 VanDerWaalsContact CE2-CE1 3.47Å; F320-F330 HydrophobicContact CE2-CE2 4.11Å; F320-F330 HydrophobicContact CE2-CG 4.22Å; F320-F330 AromaticContact CE2-CZ 3.62Å; F320-F330 HydrophobicContact CE2-CZ 3.62Å; F320-F330 WeakPolarHBondContact O-CB 3.3Å; L321-F330 HydrophobicContact CD2-CB 4.49Å; L321-F330 HydrophobicContact CD2-CD1 3.66Å; L321-F330 HydrophobicContact CD2-CE1 4.28Å; L321-F330 HydrophobicContact CD2-CG 4.4Å; K328-F330 PolarHBondContact O-N 3.15Å; F330-S332 PolarHBondContact O-N 3.44Å; F330-Y333 WeakPolarHBondContact O-CB 3.42Å; F330-Y333 PolarHBondContact O-N 3.44Å; F330-I334 HydrophobicContact CD1-CD1 4.06Å; F330-I334 HydrophobicContact CD1-CG1 3.89Å; F330-I334 HydrophobicContact CE1-CD1 4.24Å; F330-I334 HydrophobicContact CE1-CG1 3.92Å; F330-I334 PolarHBondContact O-N 3.08Å; F330-P339 HydrophobicContact CD2-CG 4.09Å; F330-P339 WeakPolarHBondContact CE1-O 3.2Å; F330-P339 HydrophobicContact CE2-CB 3.97Å; F330-P339 HydrophobicContact CE2-CG 3.46Å; F330-P339 VanDerWaalsContact CE2-CG 3.46Å; F330-P339 HydrophobicContact CZ-CB 4.19Å; F330-P339 HydrophobicContact CZ-CG 3.99Å; F330-P339 WeakPolarHBondContact CZ-O 3.5Å; F330-L343 HydrophobicContact CE1-CD1 3.91Å; F330-L343 HydrophobicContact CE1-CG 4.1Å
331	E	71.4	Confident	66.6	Low	18 Å²	18	62.4 Å²	62.4	8%	0.084	31%	0.308	C	S	.	.	H	α-helix	trans	-48.9	-39	173	-171.4	62.6	-159.7	0	0	113.9	H239 L240 S241 S242 S329 Y333 I334	H239-E331 VanDerWaalsContact CA-CD 3.49Å; H239-E331 VanDerWaalsContact CA-OE1 3.23Å; H239-E331 WeakPolarHBondContact CA-OE1 3.45Å; L240-E331 PolarHBondContact N-OE1 2.88Å; L240-E331 VanDerWaalsContact N-OE1 3.15Å; S241-E331 VanDerWaalsContact CA-OE1 3.29Å; S241-E331 WeakPolarHBondContact CA-OE1 3.25Å; S241-E331 VanDerWaalsContact CB-OE1 3.22Å; S241-E331 WeakPolarHBondContact CB-OE1 3.22Å; S241-E331 PolarHBondContact N-OE1 3.35Å; S242-E331 VanDerWaalsContact CB-OE2 3.23Å; S242-E331 WeakPolarHBondContact CB-OE2 3.5Å; S242-E331 PolarHBondContact N-OE1 3.13Å; S242-E331 VanDerWaalsContact N-OE1 3.08Å; S242-E331 PolarHBondContact N-OE2 3.4Å; S242-E331 PolarHBondContact OG-OE2 3.34Å; S329-E331 PolarHBondContact O-N 3.31Å; S329-E331 VanDerWaalsContact O-N 3.09Å; E331-Y333 VanDerWaalsContact C-N 3.31Å; E331-Y333 PolarHBondContact O-N 3.34Å; E331-I334 WeakPolarHBondContact OE2-CD1 3.31Å
332	S	67.4	Low	66.7	Low	44 Å²	44	65 Å²	65	31%	0.308	32%	0.32	S	S	.	.	H	α-helix	trans	-73	-21	178.4	74.2	0	0	0	0	114.1	S329 F330 S335	S329-S332 WeakPolarHBondContact O-CB 3.43Å; S329-S332 PolarHBondContact O-N 2.98Å; S329-S332 PolarHBondContact O-OG 3.34Å; F330-S332 PolarHBondContact O-N 3.44Å; S332-S335 PolarHBondContact O-OG 3.5Å
333	Y	71.3	Confident	67.1	Low	84 Å²	84	65 Å²	65	33%	0.329	32%	0.32	S	S	.	.	H	α-helix	trans	-89.8	-23.9	179.2	-73.7	-80.7	0	0	0	112.5	K328 F330 E331 S335 K336 G337 G338	K328-Y333 HydrophobicContact CB-CE2 3.78Å; K328-Y333 WeakPolarHBondContact CD-OH 3.39Å; F330-Y333 WeakPolarHBondContact O-CB 3.42Å; F330-Y333 PolarHBondContact O-N 3.44Å; E331-Y333 VanDerWaalsContact C-N 3.31Å; E331-Y333 PolarHBondContact O-N 3.34Å; Y333-S335 VanDerWaalsContact C-N 3.3Å; Y333-S335 PolarHBondContact O-N 3.06Å; Y333-K336 CarbonylContact O-C 3.49Å; Y333-K336 WeakPolarHBondContact O-CA 3.42Å; Y333-K336 PolarHBondContact O-N 3.3Å; Y333-G337 PolarHBondContact O-N 2.69Å; Y333-G338 WeakPolarHBondContact O-CA 3.28Å; Y333-G338 PolarHBondContact O-N 2.66Å
334	I	71.7	Confident	68.1	Low	16 Å²	16	61.1 Å²	61.1	8%	0.082	30%	0.299	C	S	.	.	H	α-helix	trans	-54.2	-47.5	179.7	-63.1	169.4	0	0	0	111	L321 F330 E331 K336 G337 L340 L343	L321-I334 HydrophobicContact CD2-CD1 4.24Å; F330-I334 HydrophobicContact CD1-CD1 4.06Å; F330-I334 HydrophobicContact CD1-CG1 3.89Å; F330-I334 HydrophobicContact CE1-CD1 4.24Å; F330-I334 HydrophobicContact CE1-CG1 3.92Å; F330-I334 PolarHBondContact O-N 3.08Å; E331-I334 WeakPolarHBondContact OE2-CD1 3.31Å; I334-K336 PolarHBondContact O-N 2.84Å; I334-G337 PolarHBondContact O-N 3.05Å; I334-L340 HydrophobicContact CB-CD2 4.45Å; I334-L340 HydrophobicContact CG2-CD2 3.91Å; I334-L343 HydrophobicContact CD1-CD1 3.56Å; I334-L343 HydrophobicContact CG1-CD1 3.75Å; I334-L343 HydrophobicContact CG2-CD1 4.26Å
335	S	62.7	Low	69.6	Low	52 Å²	52	54.5 Å²	54.5	36%	0.364	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.7	179.3	59	0	0	0	0	113.9	S332 Y333 Q527	S332-S335 PolarHBondContact O-OG 3.5Å; Y333-S335 VanDerWaalsContact C-N 3.3Å; Y333-S335 PolarHBondContact O-N 3.06Å; S335-Q527 PolarHBondContact O-NE2 3.07Å
336	K	59.6	Low	71.3	Confident	135 Å²	135	52.6 Å²	52.6	59%	0.587	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	13.4	-179.3	-58.7	-178	-177	178.8	0	113.2	Y333 I334 L511	Y333-K336 CarbonylContact O-C 3.49Å; Y333-K336 WeakPolarHBondContact O-CA 3.42Å; Y333-K336 PolarHBondContact O-N 3.3Å; I334-K336 PolarHBondContact O-N 2.84Å; K336-L511 VanDerWaalsContact C-CD1 3.41Å; K336-L511 WeakPolarHBondContact O-CD1 3.16Å
337	G	56.6	Low	73.4	Confident	13 Å²	13	44.9 Å²	44.9	13%	0.134	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	25.3	-179.5	0	0	0	0	0	113.8	Y333 I334 K485	Y333-G337 PolarHBondContact O-N 2.69Å; I334-G337 PolarHBondContact O-N 3.05Å; G337-K485 WeakPolarHBondContact O-CD 3.33Å; G337-K485 WeakPolarHBondContact O-CE 3.48Å; G337-K485 PolarHBondContact O-NZ 3.13Å
338	G	62.7	Low	75.7	Confident	2 Å²	2	34.3 Å²	34.3	2%	0.021	18%	0.179	C	C	.	.			trans	-57.3	178.8	175.9	0	0	0	0	0	114	Y333 L340 K485	Y333-G338 WeakPolarHBondContact O-CA 3.28Å; Y333-G338 PolarHBondContact O-N 2.66Å; G338-L340 WeakPolarHBondContact O-CG 3.42Å; G338-L340 PolarHBondContact O-N 2.94Å; G338-L340 VanDerWaalsContact O-N 3.11Å; G338-K485 PolarHBondContact O-NZ 2.69Å
339	P	64.7	Low	77.9	Confident	52 Å²	52	27.3 Å²	27.3	34%	0.338	15%	0.149	S	C	.	.			trans	-50.6	119.8	171.3	20.7	-30.5	0	0	0	110.3	F330 K485	F330-P339 HydrophobicContact CD2-CG 4.09Å; F330-P339 WeakPolarHBondContact CE1-O 3.2Å; F330-P339 HydrophobicContact CE2-CB 3.97Å; F330-P339 HydrophobicContact CE2-CG 3.46Å; F330-P339 VanDerWaalsContact CE2-CG 3.46Å; F330-P339 HydrophobicContact CZ-CB 4.19Å; F330-P339 HydrophobicContact CZ-CG 3.99Å; F330-P339 WeakPolarHBondContact CZ-O 3.5Å; P339-K485 VanDerWaalsContact CA-NZ 3.28Å
340	L	79.2	Confident	79.7	Confident	24 Å²	24	26 Å²	26	13%	0.126	14%	0.14	C	C	.	.			trans	-114.9	-4.4	-179.8	-65.1	176.1	0	0	0	111.8	F245 I334 G338 L343 V344 Y528	F245-L340 HydrophobicContact CD2-CD2 4.26Å; F245-L340 HydrophobicContact CE2-CB 4.37Å; F245-L340 HydrophobicContact CE2-CD1 4Å; F245-L340 HydrophobicContact CE2-CD2 4.22Å; F245-L340 HydrophobicContact CE2-CG 4.42Å; F245-L340 HydrophobicContact CZ-CB 4.47Å; I334-L340 HydrophobicContact CB-CD2 4.45Å; I334-L340 HydrophobicContact CG2-CD2 3.91Å; G338-L340 WeakPolarHBondContact O-CG 3.42Å; G338-L340 PolarHBondContact O-N 2.94Å; G338-L340 VanDerWaalsContact O-N 3.11Å; L340-L343 HydrophobicContact CD2-CD1 4.02Å; L340-L343 PolarHBondContact O-N 2.71Å; L340-V344 WeakPolarHBondContact O-CG2 3.33Å; L340-V344 PolarHBondContact O-N 2.79Å; L340-Y528 HydrophobicContact CD1-CD1 4.12Å; L340-Y528 HydrophobicContact CD1-CD2 4.45Å; L340-Y528 HydrophobicContact CD1-CG 3.8Å
341	G	84.1	Confident	81.3	Confident	12 Å²	12	24.8 Å²	24.8	12%	0.124	13%	0.134	C	C	.	.	H	α-helix	trans	-65.8	-41.5	-173.9	0	0	0	0	0	112.4	L343 V344 Q345 F447	G341-L343 VanDerWaalsContact C-N 3.34Å; G341-L343 PolarHBondContact O-N 3.42Å; G341-V344 WeakPolarHBondContact O-CB 3.43Å; G341-V344 PolarHBondContact O-N 3.07Å; G341-Q345 PolarHBondContact O-N 3.14Å; G341-F447 WeakPolarHBondContact O-CE2 3.46Å; G341-F447 WeakPolarHBondContact O-CZ 3.5Å
342	E	89.4	Confident	82.6	Confident	57 Å²	57	24 Å²	24	27%	0.266	13%	0.13	S	C	.	.	H	α-helix	trans	-61.9	-44	175.5	-61.4	85.7	165.4	0	0	110.4	F320 V344 Q345 W346	F320-E342 HydrophobicContact CE2-CB 4.19Å; F320-E342 HydrophobicContact CZ-CB 4.28Å; E342-V344 VanDerWaalsContact C-N 3.32Å; E342-V344 PolarHBondContact O-N 2.73Å; E342-Q345 PolarHBondContact O-N 3.22Å; E342-W346 PolarHBondContact O-N 3.23Å
343	L	91.2	Very high	84.1	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.1	-37.2	175.8	-76.9	170.6	0	0	0	112.5	F245 F320 L321 F330 I334 L340 G341 T347	F245-L343 HydrophobicContact CD1-CB 3.88Å; F245-L343 HydrophobicContact CD1-CD1 4.29Å; F245-L343 HydrophobicContact CE1-CB 3.7Å; F245-L343 HydrophobicContact CG-CD1 4.5Å; F245-L343 HydrophobicContact CZ-CB 4.45Å; F320-L343 HydrophobicContact CE2-CD2 4.3Å; F320-L343 HydrophobicContact CE2-CG 4.27Å; F320-L343 HydrophobicContact CZ-CD2 3.87Å; F320-L343 HydrophobicContact CZ-CG 4.18Å; L321-L343 HydrophobicContact CD1-CD2 4.12Å; L321-L343 HydrophobicContact CD2-CD2 4.48Å; F330-L343 HydrophobicContact CE1-CD1 3.91Å; F330-L343 HydrophobicContact CE1-CG 4.1Å; I334-L343 HydrophobicContact CD1-CD1 3.56Å; I334-L343 HydrophobicContact CG1-CD1 3.75Å; I334-L343 HydrophobicContact CG2-CD1 4.26Å; L340-L343 HydrophobicContact CD2-CD1 4.02Å; L340-L343 PolarHBondContact O-N 2.71Å; G341-L343 VanDerWaalsContact C-N 3.34Å; G341-L343 PolarHBondContact O-N 3.42Å; L343-T347 VanDerWaalsContact O-CB 3.31Å; L343-T347 WeakPolarHBondContact O-CB 3.22Å; L343-T347 PolarHBondContact O-N 3.39Å; L343-T347 PolarHBondContact O-OG1 3.11Å
344	V	93.9	Very high	85.3	Confident	3 Å²	3	19.1 Å²	19.1	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-58.6	-51.8	172.3	164.5	0	0	0	0	110.2	F245 L340 G341 E342 W346 T347 D348 F459	F245-V344 HydrophobicContact CE1-CG2 4.31Å; F245-V344 HydrophobicContact CZ-CG2 3.84Å; L340-V344 WeakPolarHBondContact O-CG2 3.33Å; L340-V344 PolarHBondContact O-N 2.79Å; G341-V344 WeakPolarHBondContact O-CB 3.43Å; G341-V344 PolarHBondContact O-N 3.07Å; E342-V344 VanDerWaalsContact C-N 3.32Å; E342-V344 PolarHBondContact O-N 2.73Å; V344-W346 PolarHBondContact O-N 2.79Å; V344-T347 PolarHBondContact O-N 3.45Å; V344-D348 WeakPolarHBondContact O-CB 3.07Å; V344-D348 PolarHBondContact O-N 2.77Å; V344-F459 HydrophobicContact CG1-CB 3.96Å; V344-F459 HydrophobicContact CG1-CD2 4.04Å; V344-F459 HydrophobicContact CG1-CG 4.21Å
345	Q	96	Very high	86.6	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-58.4	-47.3	178.8	-172.4	169.8	58.4	0	0	112.6	G341 E342 D348 L349 L418 T446 F447 L457 G458	G341-Q345 PolarHBondContact O-N 3.14Å; E342-Q345 PolarHBondContact O-N 3.22Å; Q345-D348 PolarHBondContact O-N 2.97Å; Q345-L349 WeakPolarHBondContact O-CB 3.5Å; Q345-L349 PolarHBondContact O-N 3.26Å; Q345-L418 HydrophobicContact CG-CD2 3.88Å; Q345-T446 PolarHBondContact NE2-O 3.3Å; Q345-F447 HydrophobicContact CB-CD2 4.11Å; Q345-F447 HydrophobicContact CB-CE2 3.82Å; Q345-F447 HydrophobicContact CG-CD2 4.37Å; Q345-L457 HydrophobicContact CG-CD2 3.98Å; Q345-G458 WeakPolarHBondContact CG-O 3.26Å; Q345-G458 PolarHBondContact NE2-O 2.88Å
346	W	96.1	Very high	88.3	Confident	4 Å²	4	15.9 Å²	15.9	2%	0.015	8%	0.084	C	C	.	.	H	α-helix	trans	-63.8	-42.7	179.3	-81.7	108.1	0	0	0	112.2	L316 M318 F320 E342 V344 D348 L349 I350 D396 L418	L316-W346 HydrophobicContact CB-CZ3 4.04Å; L316-W346 HydrophobicContact CD2-CE3 4.12Å; L316-W346 HydrophobicContact CD2-CZ3 3.93Å; L316-W346 HydrophobicContact CG-CZ3 4.44Å; M318-W346 HydrophobicContact CG-CD2 3.62Å; M318-W346 HydrophobicContact CG-CE3 3.68Å; M318-W346 HydrophobicContact CG-CG 4.15Å; M318-W346 HydrophobicContact CG-CH2 4.17Å; M318-W346 HydrophobicContact CG-CZ2 4.11Å; M318-W346 HydrophobicContact CG-CZ3 3.96Å; M318-W346 HydrophobicContact SD-CB 4.02Å; M318-W346 HydrophobicContact SD-CD2 3.97Å; M318-W346 HydrophobicContact SD-CE3 4.12Å; M318-W346 HydrophobicContact SD-CG 3.93Å; F320-W346 AromaticContact CD1-NE1 3.79Å; F320-W346 AromaticContact CE1-CD1 3.3Å; F320-W346 HydrophobicContact CE1-CG 4.13Å; F320-W346 AromaticContact CE1-NE1 3.27Å; F320-W346 VanDerWaalsContact CE1-NE1 3.27Å; F320-W346 AromaticContact CZ-CD1 3.73Å; E342-W346 PolarHBondContact O-N 3.23Å; V344-W346 PolarHBondContact O-N 2.79Å; W346-D348 VanDerWaalsContact C-N 3.33Å; W346-D348 PolarHBondContact O-N 3.12Å; W346-L349 HydrophobicContact CE3-CD2 4.23Å; W346-L349 HydrophobicContact CZ3-CD2 4.21Å; W346-L349 PolarHBondContact O-N 3.29Å; W346-I350 WeakPolarHBondContact O-CB 3.42Å; W346-I350 WeakPolarHBondContact O-CD1 3.41Å; W346-I350 VanDerWaalsContact O-CG1 3.22Å; W346-I350 WeakPolarHBondContact O-CG1 3.41Å; W346-I350 PolarHBondContact O-N 3.14Å; W346-D396 HydrophobicContact CZ2-CB 4.37Å; W346-L418 HydrophobicContact CD2-CD2 3.75Å; W346-L418 HydrophobicContact CE3-CD2 4.15Å; W346-L418 HydrophobicContact CG-CD2 4.22Å; W346-L418 HydrophobicContact CH2-CD1 4.19Å; W346-L418 HydrophobicContact CH2-CD2 4.21Å; W346-L418 HydrophobicContact CZ2-CB 4.18Å; W346-L418 HydrophobicContact CZ2-CD1 4.31Å; W346-L418 HydrophobicContact CZ2-CD2 3.83Å; W346-L418 HydrophobicContact CZ2-CG 4.33Å; W346-L418 HydrophobicContact CZ3-CD2 4.36Å
347	T	96.1	Very high	90	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.006	6%	0.059	C	C	.	.	H	α-helix	trans	-60.5	-45.4	177.3	-53.8	0	0	0	0	111	M246 R249 L250 L343 V344 I350 A351	M246-T347 HydrophobicContact CB-CG2 4.37Å; M246-T347 WeakPolarHBondContact CG-OG1 3.49Å; R249-T347 HydrophobicContact CB-CG2 4.35Å; R249-T347 HydrophobicContact CG-CG2 4.31Å; L250-T347 HydrophobicContact CD1-CG2 4.43Å; L250-T347 HydrophobicContact CD2-CG2 3.95Å; L250-T347 HydrophobicContact CG-CG2 3.75Å; L343-T347 VanDerWaalsContact O-CB 3.31Å; L343-T347 WeakPolarHBondContact O-CB 3.22Å; L343-T347 PolarHBondContact O-N 3.39Å; L343-T347 PolarHBondContact O-OG1 3.11Å; V344-T347 PolarHBondContact O-N 3.45Å; T347-I350 PolarHBondContact O-N 3.05Å; T347-A351 WeakPolarHBondContact O-CB 3.33Å; T347-A351 PolarHBondContact O-N 3.19Å
348	D	98.1	Very high	92	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-71.9	-36.5	-175.9	-64.3	-9	0	0	0	111.3	R249 W257 V344 Q345 W346 A351 A352 V460	R249-D348 IonicContact CZ-OD1 3.63Å; R249-D348 IonicContact CZ-OD2 2.68Å; R249-D348 IonicContact NE-OD1 3.43Å; R249-D348 PolarHBondContact NE-OD1 3.06Å; R249-D348 IonicContact NE-OD2 3.62Å; R249-D348 IonicContact NH2-OD1 2.66Å; R249-D348 PolarHBondContact NH2-OD1 2.88Å; R249-D348 IonicContact NH2-OD2 3.29Å; R249-D348 PolarHBondContact NH2-OD2 3.37Å; W257-D348 HydrophobicContact CH2-CB 4.41Å; W257-D348 HydrophobicContact CZ2-CB 3.9Å; V344-D348 WeakPolarHBondContact O-CB 3.07Å; V344-D348 PolarHBondContact O-N 2.77Å; Q345-D348 PolarHBondContact O-N 2.97Å; W346-D348 VanDerWaalsContact C-N 3.33Å; W346-D348 PolarHBondContact O-N 3.12Å; D348-A351 PolarHBondContact O-N 3.36Å; D348-A352 WeakPolarHBondContact O-CB 3.48Å; D348-A352 PolarHBondContact O-N 2.57Å; D348-V460 HydrophobicContact CB-CG2 4.45Å; D348-V460 PolarHBondContact OD2-N 3.4Å
349	L	98.4	Very high	93.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-47.2	170.4	176.3	62.2	0	0	0	111.7	L316 Q345 W346 A351 A352 L353 Y394 L418 L457 L647	L316-L349 HydrophobicContact CD2-CD2 4.06Å; L316-L349 HydrophobicContact CD2-CG 4.2Å; Q345-L349 WeakPolarHBondContact O-CB 3.5Å; Q345-L349 PolarHBondContact O-N 3.26Å; W346-L349 HydrophobicContact CE3-CD2 4.23Å; W346-L349 HydrophobicContact CZ3-CD2 4.21Å; W346-L349 PolarHBondContact O-N 3.29Å; L349-A351 VanDerWaalsContact C-N 3.35Å; L349-A351 PolarHBondContact O-N 3.08Å; L349-A352 PolarHBondContact O-N 2.94Å; L349-L353 HydrophobicContact CD1-CD1 3.9Å; L349-L353 HydrophobicContact CD1-CD2 4.46Å; L349-L353 HydrophobicContact CD1-CG 3.91Å; L349-L353 HydrophobicContact CG-CD1 4Å; L349-L353 HydrophobicContact CG-CG 4.39Å; L349-L353 WeakPolarHBondContact O-CB 3.3Å; L349-L353 VanDerWaalsContact O-CG 3.29Å; L349-L353 WeakPolarHBondContact O-CG 3.47Å; L349-L353 PolarHBondContact O-N 3.19Å; L349-Y394 HydrophobicContact CD1-CD1 4.47Å; L349-Y394 HydrophobicContact CD1-CE1 4.18Å; L349-Y394 HydrophobicContact CD2-CD1 3.68Å; L349-Y394 HydrophobicContact CD2-CE1 4.2Å; L349-Y394 HydrophobicContact CD2-CG 3.9Å; L349-L418 HydrophobicContact CD2-CD1 4.16Å; L349-L418 HydrophobicContact CD2-CD2 4.17Å; L349-L457 HydrophobicContact CD1-CD1 4.41Å; L349-L457 HydrophobicContact CD1-CD2 4.48Å; L349-L457 HydrophobicContact CD2-CD2 4.35Å; L349-L647 HydrophobicContact CD1-CD1 4.03Å; L349-L647 HydrophobicContact CD1-CD2 3.91Å
350	I	97.9	Very high	94.9	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-58.4	-47.6	177	-73.6	163.8	0	0	0	110.5	L229 M246 L316 M318 W346 T347 Y354 I360 I362	L229-I350 HydrophobicContact CD1-CG2 3.74Å; M246-I350 HydrophobicContact SD-CD1 4.09Å; L316-I350 HydrophobicContact CD2-CG1 3.63Å; M318-I350 HydrophobicContact CE-CD1 4.4Å; W346-I350 WeakPolarHBondContact O-CB 3.42Å; W346-I350 WeakPolarHBondContact O-CD1 3.41Å; W346-I350 VanDerWaalsContact O-CG1 3.22Å; W346-I350 WeakPolarHBondContact O-CG1 3.41Å; W346-I350 PolarHBondContact O-N 3.14Å; T347-I350 PolarHBondContact O-N 3.05Å; I350-Y354 VanDerWaalsContact O-CB 3.3Å; I350-Y354 WeakPolarHBondContact O-CB 3.38Å; I350-Y354 PolarHBondContact O-N 3.26Å; I350-I360 HydrophobicContact CG2-CD1 4.03Å; I350-I362 HydrophobicContact CD1-CD1 3.8Å; I350-I362 HydrophobicContact CG1-CD1 4.18Å; I350-I362 HydrophobicContact CG2-CD1 4.3Å
351	A	98.4	Very high	95.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58.6	-49.8	178.4	0	0	0	0	0	111.5	L250 W257 T347 D348 L349 Y354 I355	L250-A351 HydrophobicContact CD2-CB 3.64Å; W257-A351 HydrophobicContact CD2-CB 4.17Å; W257-A351 HydrophobicContact CH2-CB 4.39Å; W257-A351 HydrophobicContact CZ2-CB 3.79Å; T347-A351 WeakPolarHBondContact O-CB 3.33Å; T347-A351 PolarHBondContact O-N 3.19Å; D348-A351 PolarHBondContact O-N 3.36Å; L349-A351 VanDerWaalsContact C-N 3.35Å; L349-A351 PolarHBondContact O-N 3.08Å; A351-Y354 PolarHBondContact O-N 2.84Å; A351-I355 WeakPolarHBondContact O-CB 2.93Å; A351-I355 WeakPolarHBondContact O-CD1 3.24Å; A351-I355 VanDerWaalsContact O-CG1 3.25Å; A351-I355 WeakPolarHBondContact O-CG1 2.94Å; A351-I355 PolarHBondContact O-N 3.3Å
352	A	98.6	Very high	96	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.4	-45.1	-176.9	0	0	0	0	0	112.6	W257 D348 L349 Y354 I355 L356 F643 L644 L647	W257-A352 HydrophobicContact CH2-CB 3.91Å; W257-A352 HydrophobicContact CZ3-CB 3.89Å; D348-A352 WeakPolarHBondContact O-CB 3.48Å; D348-A352 PolarHBondContact O-N 2.57Å; L349-A352 PolarHBondContact O-N 2.94Å; A352-Y354 VanDerWaalsContact C-N 3.31Å; A352-Y354 PolarHBondContact O-N 3.26Å; A352-I355 PolarHBondContact O-N 3.39Å; A352-L356 WeakPolarHBondContact O-CB 3.44Å; A352-L356 VanDerWaalsContact O-CG 3.24Å; A352-L356 WeakPolarHBondContact O-CG 3.28Å; A352-L356 PolarHBondContact O-N 2.74Å; A352-F643 HydrophobicContact CB-CD1 3.66Å; A352-F643 HydrophobicContact CB-CE1 3.56Å; A352-L644 HydrophobicContact CB-CD2 3.96Å; A352-L647 HydrophobicContact CB-CD2 3.52Å
353	L	98.5	Very high	96.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.3	-42.4	175.8	-71.7	177.6	0	0	0	111.7	I314 L316 L349 G357 H358 I360 Y394 L647 L651	I314-L353 HydrophobicContact CD1-CD1 4.3Å; I314-L353 HydrophobicContact CD1-CD2 3.68Å; I314-L353 HydrophobicContact CG2-CD1 4.1Å; L316-L353 HydrophobicContact CD1-CD1 4.21Å; L316-L353 HydrophobicContact CD2-CD1 4.04Å; L316-L353 HydrophobicContact CG-CD1 4.4Å; L349-L353 HydrophobicContact CD1-CD1 3.9Å; L349-L353 HydrophobicContact CD1-CD2 4.46Å; L349-L353 HydrophobicContact CD1-CG 3.91Å; L349-L353 HydrophobicContact CG-CD1 4Å; L349-L353 HydrophobicContact CG-CG 4.39Å; L349-L353 WeakPolarHBondContact O-CB 3.3Å; L349-L353 VanDerWaalsContact O-CG 3.29Å; L349-L353 WeakPolarHBondContact O-CG 3.47Å; L349-L353 PolarHBondContact O-N 3.19Å; L353-G357 PolarHBondContact O-N 2.86Å; L353-H358 WeakPolarHBondContact O-CB 3.23Å; L353-H358 PolarHBondContact O-N 3.12Å; L353-I360 HydrophobicContact CB-CG2 3.86Å; L353-I360 HydrophobicContact CD1-CG2 4.32Å; L353-Y394 HydrophobicContact CD1-CD2 4.25Å; L353-Y394 HydrophobicContact CD1-CE2 4.15Å; L353-Y394 HydrophobicContact CD2-CE2 4.46Å; L353-L647 HydrophobicContact CD2-CD1 4.49Å; L353-L647 HydrophobicContact CD2-CD2 3.85Å; L353-L647 HydrophobicContact CD2-CG 4.4Å; L353-L647 HydrophobicContact CG-CD2 4.09Å; L353-L651 HydrophobicContact CD2-CD1 3.68Å; L353-L651 HydrophobicContact CD2-CD2 4.07Å; L353-L651 HydrophobicContact CD2-CG 4.46Å
354	Y	98.2	Very high	95.9	Very high	26 Å²	26	10.9 Å²	10.9	10%	0.102	5%	0.053	C	C	.	.	H	α-helix	trans	-62.4	-55.3	176.2	-177	-94.2	0	0	0	110.3	T223 D225 L229 I232 W254 I350 A351 A352 L356 G357 I360	T223-Y354 HydrophobicContact CG2-CD1 3.52Å; T223-Y354 HydrophobicContact CG2-CE1 3.36Å; T223-Y354 HydrophobicContact CG2-CE2 4.41Å; T223-Y354 HydrophobicContact CG2-CG 4.12Å; T223-Y354 WeakPolarHBondContact CG2-O 3.43Å; T223-Y354 WeakPolarHBondContact OG1-CE1 3.19Å; T223-Y354 PolarHBondContact OG1-OH 2.75Å; D225-Y354 WeakPolarHBondContact O-CE1 3.44Å; D225-Y354 PolarHBondContact O-OH 2.91Å; L229-Y354 HydrophobicContact CB-CD1 3.89Å; L229-Y354 HydrophobicContact CB-CD2 4.14Å; L229-Y354 HydrophobicContact CB-CE1 3.84Å; L229-Y354 HydrophobicContact CB-CE2 4.1Å; L229-Y354 HydrophobicContact CB-CG 4.04Å; L229-Y354 HydrophobicContact CD1-CD1 4.49Å; L229-Y354 HydrophobicContact CD1-CD2 3.91Å; L229-Y354 HydrophobicContact CD1-CG 3.86Å; L229-Y354 HydrophobicContact CD2-CD1 4.19Å; L229-Y354 HydrophobicContact CD2-CG 4.25Å; L229-Y354 HydrophobicContact CG-CD1 4.41Å; L229-Y354 HydrophobicContact CG-CG 4.27Å; I232-Y354 HydrophobicContact CD1-CD2 4.08Å; I232-Y354 HydrophobicContact CD1-CE2 3.92Å; W254-Y354 AromaticContact CH2-CD1 3.96Å; W254-Y354 HydrophobicContact CH2-CD1 3.96Å; W254-Y354 HydrophobicContact CH2-CE1 4.24Å; I350-Y354 VanDerWaalsContact O-CB 3.3Å; I350-Y354 WeakPolarHBondContact O-CB 3.38Å; I350-Y354 PolarHBondContact O-N 3.26Å; A351-Y354 PolarHBondContact O-N 2.84Å; A352-Y354 VanDerWaalsContact C-N 3.31Å; A352-Y354 PolarHBondContact O-N 3.26Å; Y354-L356 VanDerWaalsContact C-N 3.26Å; Y354-L356 PolarHBondContact O-N 2.94Å; Y354-G357 WeakPolarHBondContact O-CA 3.42Å; Y354-G357 PolarHBondContact O-N 2.92Å; Y354-I360 HydrophobicContact CD2-CD1 4.34Å
355	I	98.4	Very high	95.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-54.9	-40.6	179.7	-71.8	164.7	0	0	0	112	I222 T223 W254 W257 I261 A351 A352 G357 L644	I222-I355 VanDerWaalsContact CA-O 3.3Å; I222-I355 WeakPolarHBondContact CA-O 3.22Å; I222-I355 HydrophobicContact CG2-CG2 4.46Å; T223-I355 PolarHBondContact N-O 2.9Å; W254-I355 HydrophobicContact CH2-CD1 4.09Å; W254-I355 HydrophobicContact CH2-CG1 3.76Å; W254-I355 HydrophobicContact CZ2-CG1 4.42Å; W254-I355 HydrophobicContact CZ3-CD1 4.05Å; W254-I355 HydrophobicContact CZ3-CG1 4.19Å; W257-I355 HydrophobicContact CB-CD1 3.66Å; W257-I355 HydrophobicContact CD2-CD1 3.89Å; W257-I355 HydrophobicContact CE3-CD1 3.69Å; W257-I355 HydrophobicContact CG-CD1 3.91Å; I261-I355 HydrophobicContact CB-CG2 3.93Å; I261-I355 HydrophobicContact CD1-CG2 4.1Å; I261-I355 HydrophobicContact CG1-CG2 3.78Å; I261-I355 HydrophobicContact CG2-CG2 4.24Å; A351-I355 WeakPolarHBondContact O-CB 2.93Å; A351-I355 WeakPolarHBondContact O-CD1 3.24Å; A351-I355 VanDerWaalsContact O-CG1 3.25Å; A351-I355 WeakPolarHBondContact O-CG1 2.94Å; A351-I355 PolarHBondContact O-N 3.3Å; A352-I355 PolarHBondContact O-N 3.39Å; I355-G357 PolarHBondContact O-N 2.98Å; I355-G357 VanDerWaalsContact O-N 3.12Å; I355-L644 HydrophobicContact CB-CD2 4.37Å; I355-L644 HydrophobicContact CG2-CD2 4.07Å
356	L	97.8	Very high	95	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-0.9	176	-70.6	172.6	0	0	0	113.7	L306 R309 A352 Y354 L644 L647 N648 L651	L306-L356 HydrophobicContact CD1-CD2 3.98Å; R309-L356 PolarHBondContact NH1-O 3.31Å; R309-L356 PolarHBondContact NH2-O 2.92Å; A352-L356 WeakPolarHBondContact O-CB 3.44Å; A352-L356 VanDerWaalsContact O-CG 3.24Å; A352-L356 WeakPolarHBondContact O-CG 3.28Å; A352-L356 PolarHBondContact O-N 2.74Å; Y354-L356 VanDerWaalsContact C-N 3.26Å; Y354-L356 PolarHBondContact O-N 2.94Å; L356-L644 HydrophobicContact CD1-CD2 4.35Å; L356-L644 HydrophobicContact CD2-CD2 4.17Å; L356-L644 HydrophobicContact CG-CD2 3.9Å; L356-L647 HydrophobicContact CD1-CD2 4.24Å; L356-L647 HydrophobicContact CD1-CG 4.29Å; L356-N648 HydrophobicContact CD1-CB 4.18Å; L356-N648 HydrophobicContact CD2-CB 4.16Å; L356-L651 HydrophobicContact CD1-CD1 3.93Å
357	G	96.8	Very high	94.4	Very high	7 Å²	7	16.3 Å²	16.3	7%	0.072	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	12.1	169.8	0	0	0	0	0	115.4	Q221 K311 L353 Y354 I355	Q221-G357 WeakPolarHBondContact O-CA 3.45Å; K311-G357 VanDerWaalsContact CE-O 3.28Å; K311-G357 WeakPolarHBondContact CE-O 3.3Å; K311-G357 WeakPolarHBondContact CG-O 3.26Å; L353-G357 PolarHBondContact O-N 2.86Å; Y354-G357 WeakPolarHBondContact O-CA 3.42Å; Y354-G357 PolarHBondContact O-N 2.92Å; I355-G357 PolarHBondContact O-N 2.98Å; I355-G357 VanDerWaalsContact O-N 3.12Å
358	H	96.9	Very high	93.7	Very high	10 Å²	10	20 Å²	20	5%	0.046	11%	0.11	C	C	.	.			trans	-79.6	153.9	-179	-62.1	-64.6	0	0	0	112.3	R309 L312 I314 L353	R309-H358 PolarHBondContact NH1-CE1 2.98Å; R309-H358 PolarHBondContact NH1-NE2 3.47Å; L312-H358 PolarHBondContact N-ND1 3.22Å; I314-H358 HydrophobicContact CD1-CB 3.88Å; L353-H358 WeakPolarHBondContact O-CB 3.23Å; L353-H358 PolarHBondContact O-N 3.12Å
359	K	94.8	Very high	93	Very high	117 Å²	117	20 Å²	20	51%	0.509	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	116.8	171.1	-178.7	178.7	177.3	-178.1	0	108	L312 N313 I314	L312-K359 PolarHBondContact O-N 3.02Å; N313-K359 CarbonylContact C-O 3.49Å; N313-K359 WeakPolarHBondContact CA-O 3.43Å; N313-K359 WeakPolarHBondContact OD1-CD 3.22Å; N313-K359 WeakPolarHBondContact OD1-CG 3.41Å; I314-K359 PolarHBondContact N-O 2.95Å
360	I	95.3	Very high	92.1	Very high	12 Å²	12	23.7 Å²	23.7	6%	0.062	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	140.6	-180	60.2	171	0	0	0	111	L229 I232 I314 L316 I350 L353 Y354	L229-I360 HydrophobicContact CD1-CD1 3.93Å; I232-I360 HydrophobicContact CD1-CD1 4.38Å; I232-I360 HydrophobicContact CD1-CG1 4.08Å; I232-I360 HydrophobicContact CG2-CD1 4.45Å; I232-I360 HydrophobicContact CG2-CG1 4.39Å; I314-I360 CarbonylContact O-C 3.2Å; I314-I360 WeakPolarHBondContact O-CA 3.44Å; L316-I360 HydrophobicContact CD1-CB 3.77Å; L316-I360 HydrophobicContact CD1-CG2 3.93Å; I350-I360 HydrophobicContact CG2-CD1 4.03Å; L353-I360 HydrophobicContact CB-CG2 3.86Å; L353-I360 HydrophobicContact CD1-CG2 4.32Å; Y354-I360 HydrophobicContact CD2-CD1 4.34Å
361	T	92.9	Very high	91	Very high	30 Å²	30	30.1 Å²	30.1	18%	0.184	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.6	166.5	-54.6	0	0	0	0	108.1	I314 L315 L316 T363 Y390	I314-T361 PolarHBondContact O-N 3.36Å; L315-T361 HydrophobicContact CD1-CG2 4.15Å; L316-T361 PolarHBondContact N-O 2.73Å; T361-T363 HydrophobicContact CG2-CG2 4.39Å; T361-Y390 WeakPolarHBondContact CB-OH 3.5Å; T361-Y390 WeakPolarHBondContact CG2-OH 3.1Å; T361-Y390 WeakPolarHBondContact OG1-CE1 3.44Å; T361-Y390 PolarHBondContact OG1-OH 3.17Å
362	I	92.2	Very high	89.6	Confident	13 Å²	13	32 Å²	32	7%	0.067	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.4	-178.6	-61.6	169.8	0	0	0	108.4	I232 L233 L316 M318 I350 Y364	I232-I362 HydrophobicContact CG2-CD1 4.27Å; L233-I362 HydrophobicContact CD2-CD1 3.56Å; L233-I362 HydrophobicContact CG-CD1 4.5Å; L316-I362 HydrophobicContact CB-CG1 4.35Å; L316-I362 HydrophobicContact CD1-CG1 4.33Å; L316-I362 CarbonylContact O-C 3.51Å; L316-I362 WeakPolarHBondContact O-CA 3.39Å; M318-I362 HydrophobicContact CE-CG2 3.3Å; I350-I362 HydrophobicContact CD1-CD1 3.8Å; I350-I362 HydrophobicContact CG1-CD1 4.18Å; I350-I362 HydrophobicContact CG2-CD1 4.3Å; I362-Y364 HydrophobicContact CG2-CE2 3.93Å
363	T	91	Very high	88	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.8	177.3	61.1	0	0	0	0	110.1	L315 L316 H317 M318 T361 E368 N372	L315-T363 HydrophobicContact CD1-CG2 3.79Å; L316-T363 PolarHBondContact O-N 2.91Å; H317-T363 WeakPolarHBondContact CA-O 3.24Å; H317-T363 PolarHBondContact ND1-OG1 2.88Å; M318-T363 PolarHBondContact N-O 3.4Å; T361-T363 HydrophobicContact CG2-CG2 4.39Å; T363-E368 HydrophobicContact CG2-CG 3.94Å; T363-N372 WeakPolarHBondContact CG2-ND2 3.4Å
364	Y	88.2	Confident	86	Confident	2 Å²	2	36 Å²	36	1%	0.008	19%	0.19	C	C	.	.			trans	-120.2	-38.4	179.6	-53.8	-92.5	0	0	0	110.9	V236 H239 H317 M318 L321 I362	V236-Y364 HydrophobicContact CB-CE2 4.07Å; V236-Y364 HydrophobicContact CG1-CD2 3.78Å; V236-Y364 HydrophobicContact CG1-CE2 3.36Å; V236-Y364 HydrophobicContact CG2-CE2 3.58Å; H239-Y364 AromaticContact CD2-CD2 3.81Å; H239-Y364 AromaticContact CD2-CG 3.61Å; H239-Y364 WeakPolarHBondContact NE2-CB 3.25Å; H239-Y364 AromaticContact NE2-CG 3.79Å; H317-Y364 PolarHBondContact CE1-O 2.86Å; H317-Y364 VanDerWaalsContact CE1-O 3.24Å; M318-Y364 HydrophobicContact CB-CD1 4.17Å; M318-Y364 HydrophobicContact CB-CE1 4.47Å; M318-Y364 HydrophobicContact CE-CD1 4.11Å; M318-Y364 HydrophobicContact CE-CE1 3.29Å; M318-Y364 HydrophobicContact SD-CE1 4.32Å; L321-Y364 HydrophobicContact CB-CD1 3.84Å; L321-Y364 HydrophobicContact CD1-CD1 3.83Å; L321-Y364 HydrophobicContact CD1-CE1 3.66Å; L321-Y364 HydrophobicContact CG-CD1 4.5Å; I362-Y364 HydrophobicContact CG2-CE2 3.93Å
365	E	86.8	Confident	83.7	Confident	37 Å²	37	39.1 Å²	39.1	17%	0.173	21%	0.206	C	C	.	.	S	Bend	trans	-95	138.8	-179.6	-58	-57	167	0	0	111.8	H239 S322 N323 A367 E368 A369	H239-E365 IonicContact CE1-OE1 2.62Å; H239-E365 IonicContact NE2-OE1 3.85Å; S322-E365 PolarHBondContact OG-OE2 3.2Å; N323-E365 WeakPolarHBondContact CB-OE1 3.5Å; N323-E365 PolarHBondContact N-OE1 3.28Å; N323-E365 PolarHBondContact ND2-OE1 2.91Å; E365-A367 PolarHBondContact O-N 3.48Å; E365-E368 HydrophobicContact CB-CB 4.3Å; E365-E368 WeakPolarHBondContact O-CB 3.44Å; E365-E368 PolarHBondContact O-N 2.81Å; E365-E368 VanDerWaalsContact O-N 3.14Å; E365-A369 PolarHBondContact O-N 3.26Å
366	A	83.3	Confident	80.9	Confident	13 Å²	13	44.6 Å²	44.6	11%	0.107	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-29.7	-179.2	0	0	0	0	0	112.3	A369 K370 N402 V406	A366-A369 PolarHBondContact O-N 2.83Å; A366-K370 VanDerWaalsContact O-CB 3.23Å; A366-K370 WeakPolarHBondContact O-CB 3.26Å; A366-K370 PolarHBondContact O-N 2.94Å; A366-N402 HydrophobicContact CB-CB 3.91Å; A366-V406 HydrophobicContact CB-CG1 4.12Å; A366-V406 HydrophobicContact CB-CG2 4.42Å
367	A	83	Confident	78.2	Confident	73 Å²	73	48.4 Å²	48.4	60%	0.603	26%	0.256	S	S	*	.	H	α-helix	trans	-66.6	-41.1	173.9	0	0	0	0	0	112.2	E365 K370 L371	E365-A367 PolarHBondContact O-N 3.48Å; A367-K370 WeakPolarHBondContact O-CB 3.21Å; A367-K370 PolarHBondContact O-N 3.37Å; A367-L371 PolarHBondContact O-N 2.96Å
368	E	83.1	Confident	75.4	Confident	78 Å²	78	51.2 Å²	51.2	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-44.5	174.5	-178.8	-171.5	-166.1	0	0	110.7	T363 E365 K370 L371 N372	T363-E368 HydrophobicContact CG2-CG 3.94Å; E365-E368 HydrophobicContact CB-CB 4.3Å; E365-E368 WeakPolarHBondContact O-CB 3.44Å; E365-E368 PolarHBondContact O-N 2.81Å; E365-E368 VanDerWaalsContact O-N 3.14Å; E368-K370 VanDerWaalsContact C-N 3.33Å; E368-K370 PolarHBondContact O-N 3.21Å; E368-L371 PolarHBondContact O-N 2.8Å; E368-N372 WeakPolarHBondContact O-CB 3.32Å; E368-N372 PolarHBondContact O-N 2.9Å; E368-N372 PolarHBondContact O-ND2 3.38Å
369	A	82	Confident	73	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60	-44.9	174.5	0	0	0	0	0	110.9	E365 A366 L371 N372 L373 L403	E365-A369 PolarHBondContact O-N 3.26Å; A366-A369 PolarHBondContact O-N 2.83Å; A369-L371 PolarHBondContact O-N 3.05Å; A369-N372 CarbonylContact O-C 3.37Å; A369-N372 PolarHBondContact O-N 3.03Å; A369-N372 VanDerWaalsContact O-N 3.14Å; A369-L373 HydrophobicContact CB-CD1 4.3Å; A369-L373 VanDerWaalsContact O-CB 3.22Å; A369-L373 WeakPolarHBondContact O-CB 3.33Å; A369-L373 VanDerWaalsContact O-CD1 3.27Å; A369-L373 WeakPolarHBondContact O-CD1 3.41Å; A369-L373 WeakPolarHBondContact O-CG 3.37Å; A369-L373 PolarHBondContact O-N 3.43Å; A369-L403 HydrophobicContact CB-CD2 3.38Å
370	K	79.3	Confident	70.7	Confident	78 Å²	78	54.8 Å²	54.8	34%	0.339	32%	0.315	S	S	.	.	H	α-helix	trans	-57.3	-48.4	174.8	-172.4	-167.7	-171.4	158.8	0	111.1	A366 A367 E368 N372 L373 L374 V406	A366-K370 VanDerWaalsContact O-CB 3.23Å; A366-K370 WeakPolarHBondContact O-CB 3.26Å; A366-K370 PolarHBondContact O-N 2.94Å; A367-K370 WeakPolarHBondContact O-CB 3.21Å; A367-K370 PolarHBondContact O-N 3.37Å; E368-K370 VanDerWaalsContact C-N 3.33Å; E368-K370 PolarHBondContact O-N 3.21Å; K370-N372 VanDerWaalsContact C-N 3.26Å; K370-N372 PolarHBondContact O-N 2.96Å; K370-L373 CarbonylContact O-C 3.46Å; K370-L373 PolarHBondContact O-N 2.85Å; K370-L373 VanDerWaalsContact O-N 3.16Å; K370-L374 HydrophobicContact CD-CD1 3.91Å; K370-L374 HydrophobicContact CG-CD1 3.51Å; K370-L374 HydrophobicContact CG-CG 3.93Å; K370-L374 WeakPolarHBondContact O-CB 3.49Å; K370-L374 VanDerWaalsContact O-CG 3.25Å; K370-L374 WeakPolarHBondContact O-CG 3.26Å; K370-L374 PolarHBondContact O-N 3.36Å; K370-V406 HydrophobicContact CB-CB 4.48Å; K370-V406 HydrophobicContact CB-CG2 4.14Å; K370-V406 HydrophobicContact CD-CB 4.1Å; K370-V406 VanDerWaalsContact CE-O 3.28Å; K370-V406 WeakPolarHBondContact CE-O 3.02Å; K370-V406 HydrophobicContact CG-CB 4.48Å; K370-V406 HydrophobicContact CG-CG2 4.43Å; K370-V406 PolarHBondContact NZ-O 2.73Å
371	L	75.9	Confident	68.6	Low	137 Å²	137	56 Å²	56	72%	0.717	32%	0.324	S	S	*	.	H	α-helix	trans	-62.9	-34.9	177.5	-174.9	68.4	0	0	0	112	A367 E368 A369	A367-L371 PolarHBondContact O-N 2.96Å; E368-L371 PolarHBondContact O-N 2.8Å; A369-L371 PolarHBondContact O-N 3.05Å
372	N	67.8	Low	66.9	Low	39 Å²	39	56.7 Å²	56.7	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-72.7	-32.4	175.4	-82.6	-63.3	0	0	0	112.8	T363 E368 A369 K370 K389 Y390	T363-N372 WeakPolarHBondContact CG2-ND2 3.4Å; E368-N372 WeakPolarHBondContact O-CB 3.32Å; E368-N372 PolarHBondContact O-N 2.9Å; E368-N372 PolarHBondContact O-ND2 3.38Å; A369-N372 CarbonylContact O-C 3.37Å; A369-N372 PolarHBondContact O-N 3.03Å; A369-N372 VanDerWaalsContact O-N 3.14Å; K370-N372 VanDerWaalsContact C-N 3.26Å; K370-N372 PolarHBondContact O-N 2.96Å; N372-K389 WeakPolarHBondContact O-CD 3.49Å; N372-K389 PolarHBondContact O-NZ 2.88Å; N372-Y390 HydrophobicContact CB-CE2 4.42Å
373	L	66.9	Low	65.1	Low	19 Å²	19	56 Å²	56	10%	0.099	33%	0.325	C	S	.	.	H	α-helix	trans	-84.6	-29.6	-179	-73.8	160.5	0	0	0	112.6	L315 A369 K370 Y390 I393 L403 I408	L315-L373 HydrophobicContact CD2-CD1 3.68Å; L315-L373 HydrophobicContact CD2-CD2 3.82Å; L315-L373 HydrophobicContact CD2-CG 3.76Å; A369-L373 HydrophobicContact CB-CD1 4.3Å; A369-L373 VanDerWaalsContact O-CB 3.22Å; A369-L373 WeakPolarHBondContact O-CB 3.33Å; A369-L373 VanDerWaalsContact O-CD1 3.27Å; A369-L373 WeakPolarHBondContact O-CD1 3.41Å; A369-L373 WeakPolarHBondContact O-CG 3.37Å; A369-L373 PolarHBondContact O-N 3.43Å; K370-L373 CarbonylContact O-C 3.46Å; K370-L373 PolarHBondContact O-N 2.85Å; K370-L373 VanDerWaalsContact O-N 3.16Å; L373-Y390 HydrophobicContact CD2-CD2 3.55Å; L373-Y390 HydrophobicContact CD2-CE2 4.03Å; L373-Y390 HydrophobicContact CG-CD2 4.37Å; L373-Y390 HydrophobicContact CG-CE2 4.37Å; L373-I393 HydrophobicContact CD2-CD1 3.76Å; L373-L403 HydrophobicContact CD1-CD2 4.28Å; L373-I408 HydrophobicContact CB-CG1 4.4Å; L373-I408 HydrophobicContact CB-CG2 4.33Å; L373-I408 HydrophobicContact CD1-CB 4.44Å; L373-I408 HydrophobicContact CD1-CD1 3.36Å; L373-I408 HydrophobicContact CD1-CG1 3.78Å; L373-I408 HydrophobicContact CD1-CG2 3.8Å; L373-I408 HydrophobicContact CD2-CG2 4.43Å; L373-I408 HydrophobicContact CG-CG2 4.43Å
374	L	56.3	Low	63.2	Low	64 Å²	64	59.5 Å²	59.5	34%	0.335	34%	0.341	S	S	.	.			trans	-91.2	109.3	172.8	-64.4	-177.8	0	0	0	108.6	K370	K370-L374 HydrophobicContact CD-CD1 3.91Å; K370-L374 HydrophobicContact CG-CD1 3.51Å; K370-L374 HydrophobicContact CG-CG 3.93Å; K370-L374 WeakPolarHBondContact O-CB 3.49Å; K370-L374 VanDerWaalsContact O-CG 3.25Å; K370-L374 WeakPolarHBondContact O-CG 3.26Å; K370-L374 PolarHBondContact O-N 3.36Å
375	H	49.7	Very low	61.3	Low	92 Å²	92	61.7 Å²	61.7	43%	0.426	36%	0.355	S	S	.	.			trans	-61.3	146	148.4	-91.8	-74.5	0	0	0	108.1	Y377 E386	H375-Y377 PolarHBondContact O-N 3.34Å; H375-E386 IonicContact CD2-OE2 3.36Å; H375-E386 IonicContact CG-OE2 2.95Å
376	P	38.9	Very low	59.4	Low	115 Å²	115	65.2 Å²	65.2	75%	0.747	37%	0.371	S	S	*	.			trans	-62	90.7	-179.9	25.6	-31.5	0	0	0	108.5	S378	P376-S378 PolarHBondContact O-N 3.36Å
377	Y	42	Very low	57.8	Low	81 Å²	81	68.2 Å²	68.2	32%	0.318	39%	0.386	S	S	.	.			trans	-61.2	118.3	164.7	-109.4	-90	0	0	0	105.6	H375 S379 V381 Q384	H375-Y377 PolarHBondContact O-N 3.34Å; Y377-S379 PolarHBondContact O-N 2.92Å; Y377-V381 VanDerWaalsContact CE1-O 3.23Å; Y377-V381 WeakPolarHBondContact CE1-O 3.37Å; Y377-Q384 VanDerWaalsContact CE2-O 3.26Å; Y377-Q384 WeakPolarHBondContact CE2-O 3.29Å; Y377-Q384 VanDerWaalsContact OH-C 3.3Å; Y377-Q384 PolarHBondContact OH-O 2.91Å
378	S	38	Very low	56.6	Low	66 Å²	66	66.7 Å²	66.7	46%	0.462	37%	0.367	S	S	.	.			trans	-55.6	123.9	151.3	-174.3	0	0	0	0	106.2	P376 S380 V381	P376-S378 PolarHBondContact O-N 3.36Å; S378-S380 PolarHBondContact O-N 2.97Å; S378-S380 PolarHBondContact OG-OG 3.5Å; S378-V381 PolarHBondContact O-N 3.48Å
379	S	45.1	Very low	56.1	Low	133 Å²	133	66.2 Å²	66.2	93%	0.93	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	11.8	-179.9	46.5	0	0	0	0	114.2	Y377	Y377-S379 PolarHBondContact O-N 2.92Å
380	S	47.3	Very low	56.3	Low	68 Å²	68	66.3 Å²	66.3	48%	0.476	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	11.4	-171.2	59.8	0	0	0	0	113.7	H179 S378	H179-S380 PolarHBondContact CD2-O 3.23Å; H179-S380 PolarHBondContact NE2-O 3.03Å; S378-S380 PolarHBondContact O-N 2.97Å; S378-S380 PolarHBondContact OG-OG 3.5Å
381	V	51.7	Low	56.7	Low	38 Å²	38	65.1 Å²	65.1	23%	0.23	36%	0.362	C	S	.	.			trans	-142.3	104.4	-172.2	-167.2	0	0	0	0	113.3	H179 C181 Y377 S378 C383	H179-V381 HydrophobicContact CB-CG1 3.99Å; C181-V381 HydrophobicContact CB-CG1 4.34Å; C181-V381 WeakPolarHBondContact SG-CG1 3.43Å; Y377-V381 VanDerWaalsContact CE1-O 3.23Å; Y377-V381 WeakPolarHBondContact CE1-O 3.37Å; S378-V381 PolarHBondContact O-N 3.48Å; V381-C383 VanDerWaalsContact C-N 3.33Å; V381-C383 WeakPolarHBondContact CG1-SG 3.34Å; V381-C383 PolarHBondContact O-N 3.09Å
382	P	56.7	Low	57.5	Low	44 Å²	44	59.6 Å²	59.6	29%	0.286	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.9	176.8	28.8	-30.4	0	0	0	114.1	W171 H179 Y182 Q384	W171-P382 HydrophobicContact CH2-CB 4.16Å; W171-P382 HydrophobicContact CH2-CG 4.15Å; H179-P382 WeakPolarHBondContact CD2-CD 3.27Å; H179-P382 WeakPolarHBondContact CE1-CD 3.41Å; H179-P382 WeakPolarHBondContact CE1-CG 3.26Å; H179-P382 WeakPolarHBondContact ND1-CD 3.14Å; H179-P382 WeakPolarHBondContact ND1-CG 3.43Å; H179-P382 WeakPolarHBondContact NE2-CD 3.3Å; Y182-P382 HydrophobicContact CE2-CG 4.1Å; Y182-P382 WeakPolarHBondContact OH-CB 3.35Å; Y182-P382 WeakPolarHBondContact OH-CG 3.22Å; P382-Q384 PolarHBondContact O-N 3.46Å
383	C	54.2	Low	58.8	Low	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.3	-172.2	38.1	0	0	0	0	116.8	H179 C181 Y182 L185 Y197 V381	H179-C383 WeakPolarHBondContact CB-SG 3.3Å; C181-C383 WeakPolarHBondContact CA-SG 3.48Å; C181-C383 HydrophobicContact CB-CB 4.07Å; C181-C383 WeakPolarHBondContact CB-SG 3.45Å; C181-C383 PolarHBondContact N-SG 3.22Å; C181-C383 WeakPolarHBondContact SG-CA 3.25Å; C181-C383 WeakPolarHBondContact SG-CB 3.36Å; C181-C383 CovalentContact SG-SG 2Å; C181-C383 PolarHBondContact SG-SG 2.68Å; Y182-C383 HydrophobicContact CD1-CB 3.37Å; Y182-C383 HydrophobicContact CD2-CB 3.57Å; Y182-C383 HydrophobicContact CE1-CB 3.33Å; Y182-C383 HydrophobicContact CE2-CB 3.55Å; Y182-C383 HydrophobicContact CG-CB 3.5Å; Y182-C383 VanDerWaalsContact CG-CB 3.5Å; Y182-C383 PolarHBondContact N-SG 3.01Å; L185-C383 WeakPolarHBondContact CD1-O 3.43Å; Y197-C383 PolarHBondContact OH-O 3.31Å; Y197-C383 VanDerWaalsContact OH-O 3.05Å; V381-C383 VanDerWaalsContact C-N 3.33Å; V381-C383 WeakPolarHBondContact CG1-SG 3.34Å; V381-C383 PolarHBondContact O-N 3.09Å
384	Q	50.4	Low	60.2	Low	73 Å²	73	56.9 Å²	56.9	34%	0.341	32%	0.318	S	S	.	.			trans	-101.4	71.6	175.3	-79.3	-165.4	-30.1	0	0	113.7	Y377 P382 E386	Y377-Q384 VanDerWaalsContact CE2-O 3.26Å; Y377-Q384 WeakPolarHBondContact CE2-O 3.29Å; Y377-Q384 VanDerWaalsContact OH-C 3.3Å; Y377-Q384 PolarHBondContact OH-O 2.91Å; P382-Q384 PolarHBondContact O-N 3.46Å; Q384-E386 PolarHBondContact O-N 2.97Å
385	V	48.6	Very low	62.2	Low	48 Å²	48	53.9 Å²	53.9	29%	0.291	30%	0.302	S	S	.	.			trans	-80.2	66.7	155.8	-159	0	0	0	0	107.5	E202 N387	E202-V385 HydrophobicContact CG-CB 4.08Å; E202-V385 HydrophobicContact CG-CG2 3.77Å; E202-V385 WeakPolarHBondContact OE1-CG2 3.41Å; V385-N387 PolarHBondContact O-N 3.12Å; V385-N387 VanDerWaalsContact O-N 3.07Å
386	E	48.1	Very low	64.3	Low	111 Å²	111	50 Å²	50	52%	0.519	29%	0.285	S	S	.	.			trans	-56.2	122.7	167.5	-80.2	-169.6	163.2	0	0	107	H375 Q384 N388	H375-E386 IonicContact CD2-OE2 3.36Å; H375-E386 IonicContact CG-OE2 2.95Å; Q384-E386 PolarHBondContact O-N 2.97Å; E386-N388 PolarHBondContact O-N 3.11Å
387	N	48.2	Very low	66.9	Low	76 Å²	76	45.1 Å²	45.1	41%	0.406	25%	0.253	S	S	.	.			trans	-23.3	120.7	175.4	-104.1	-0.9	0	0	0	110.1	K215 V385 K389	K215-N387 PolarHBondContact NZ-ND2 3.13Å; V385-N387 PolarHBondContact O-N 3.12Å; V385-N387 VanDerWaalsContact O-N 3.07Å; N387-K389 WeakPolarHBondContact O-CA 3.13Å; N387-K389 PolarHBondContact O-N 3.14Å
388	N	59.4	Low	69.2	Low	41 Å²	41	42 Å²	42	22%	0.219	24%	0.242	C	C	.	.			trans	-37.3	109	170.1	-99	-68.7	0	0	0	107.8	E386 Y390 R409 T410 P411	E386-N388 PolarHBondContact O-N 3.11Å; N388-Y390 CarbonylContact O-C 3.51Å; N388-Y390 PolarHBondContact O-N 2.94Å; N388-R409 PolarHBondContact ND2-O 3.23Å; N388-R409 PolarHBondContact OD1-O 3.22Å; N388-R409 VanDerWaalsContact OD1-O 3.05Å; N388-T410 WeakPolarHBondContact OD1-CA 3.4Å; N388-T410 PolarHBondContact OD1-OG1 3.44Å; N388-P411 WeakPolarHBondContact ND2-CD 3.36Å
389	K	72.7	Confident	71.8	Confident	67 Å²	67	38.9 Å²	38.9	29%	0.291	22%	0.22	S	C	.	.	S	Bend	trans	-50.8	-28.3	-165.3	179.4	-175.8	174.7	-175.8	0	112.1	N313 N372 N387	N313-K389 PolarHBondContact ND2-O 3.41Å; N372-K389 WeakPolarHBondContact O-CD 3.49Å; N372-K389 PolarHBondContact O-NZ 2.88Å; N387-K389 WeakPolarHBondContact O-CA 3.13Å; N387-K389 PolarHBondContact O-N 3.14Å
390	Y	85.3	Confident	74.1	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.008	18%	0.177	C	C	.	.			trans	-106	134.5	178.6	-58.8	-79.2	0	0	0	112.3	N313 L315 T361 N372 L373 N388 K414	N313-Y390 CarbonylContact O-C 3.49Å; N313-Y390 VanDerWaalsContact O-CA 3.28Å; N313-Y390 WeakPolarHBondContact O-CA 3.44Å; L315-Y390 HydrophobicContact CB-CD1 3.63Å; L315-Y390 HydrophobicContact CB-CD2 4Å; L315-Y390 HydrophobicContact CB-CE1 3.84Å; L315-Y390 HydrophobicContact CB-CE2 4.19Å; L315-Y390 HydrophobicContact CB-CG 3.7Å; L315-Y390 HydrophobicContact CD1-CE1 4.42Å; L315-Y390 HydrophobicContact CD1-CE2 4.42Å; L315-Y390 HydrophobicContact CD2-CD2 4.36Å; L315-Y390 HydrophobicContact CD2-CE2 4.31Å; L315-Y390 VanDerWaalsContact N-CD1 3.33Å; T361-Y390 WeakPolarHBondContact CB-OH 3.5Å; T361-Y390 WeakPolarHBondContact CG2-OH 3.1Å; T361-Y390 WeakPolarHBondContact OG1-CE1 3.44Å; T361-Y390 PolarHBondContact OG1-OH 3.17Å; N372-Y390 HydrophobicContact CB-CE2 4.42Å; L373-Y390 HydrophobicContact CD2-CD2 3.55Å; L373-Y390 HydrophobicContact CD2-CE2 4.03Å; L373-Y390 HydrophobicContact CG-CD2 4.37Å; L373-Y390 HydrophobicContact CG-CE2 4.37Å; N388-Y390 CarbonylContact O-C 3.51Å; N388-Y390 PolarHBondContact O-N 2.94Å; Y390-K414 PolarHBondContact O-NZ 3.27Å
391	D	87.2	Confident	76.2	Confident	54 Å²	54	32.7 Å²	32.7	29%	0.289	17%	0.166	S	C	.	.	S	Bend	trans	-73.6	-38	173.2	-59.3	-57.3	0	0	0	110.7	L312 N313 K414	L312-D391 VanDerWaalsContact CA-OD2 3.3Å; L312-D391 WeakPolarHBondContact CA-OD2 3.48Å; L312-D391 HydrophobicContact CB-CB 4.23Å; L312-D391 HydrophobicContact CD2-CB 3.99Å; N313-D391 PolarHBondContact N-OD2 3.18Å; N313-D391 PolarHBondContact O-N 2.88Å; D391-K414 WeakPolarHBondContact O-CD 3.26Å
392	L	93.1	Very high	78	Confident	21 Å²	21	32.2 Å²	32.2	11%	0.11	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.6	178.8	-67.9	174.3	0	0	0	111.5	L312 I314 L315 L651	L312-L392 HydrophobicContact CD1-CD1 4.1Å; I314-L392 WeakPolarHBondContact CA-O 3.48Å; I314-L392 HydrophobicContact CG1-CB 4.44Å; I314-L392 HydrophobicContact CG2-CB 4.45Å; L315-L392 PolarHBondContact N-O 3.2Å; L392-L651 HydrophobicContact CD1-CD2 3.67Å
393	I	94.5	Very high	79.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	113.4	173.8	-55	-176.4	0	0	0	108.8	L315 L373 L403 T410 K414 F415 R416	L315-I393 HydrophobicContact CB-CG1 4.25Å; L315-I393 HydrophobicContact CB-CG2 4.38Å; L315-I393 HydrophobicContact CD2-CD1 4.37Å; L315-I393 HydrophobicContact CD2-CG1 4.48Å; L315-I393 HydrophobicContact CD2-CG2 4.2Å; L315-I393 HydrophobicContact CG-CG2 4.4Å; L315-I393 CarbonylContact O-C 3.58Å; L315-I393 WeakPolarHBondContact O-CA 3.21Å; L373-I393 HydrophobicContact CD2-CD1 3.76Å; I393-L403 HydrophobicContact CG2-CD1 4.42Å; I393-T410 HydrophobicContact CD1-CG2 3.7Å; I393-K414 PolarHBondContact N-O 3.05Å; I393-F415 HydrophobicContact CB-CD1 4.09Å; I393-F415 HydrophobicContact CB-CE1 4.25Å; I393-F415 HydrophobicContact CD1-CE1 4.11Å; I393-F415 HydrophobicContact CD1-CZ 4.03Å; I393-F415 HydrophobicContact CG2-CD1 3.99Å; I393-F415 HydrophobicContact CG2-CE1 3.96Å; I393-F415 CarbonylContact O-C 3.58Å; I393-F415 WeakPolarHBondContact O-CA 3.35Å; I393-R416 PolarHBondContact O-N 3.28Å
394	Y	97.9	Very high	80.9	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.7	166.2	-70.9	-91.2	0	0	0	108.9	I314 L315 L316 H317 L349 L353 R416 L418 Y445	I314-Y394 HydrophobicContact CG2-CD2 3.54Å; I314-Y394 HydrophobicContact CG2-CE2 3.83Å; L315-Y394 PolarHBondContact O-N 2.76Å; L316-Y394 CarbonylContact C-O 3.39Å; L316-Y394 WeakPolarHBondContact CA-O 3.45Å; H317-Y394 PolarHBondContact N-O 3.24Å; L349-Y394 HydrophobicContact CD1-CD1 4.47Å; L349-Y394 HydrophobicContact CD1-CE1 4.18Å; L349-Y394 HydrophobicContact CD2-CD1 3.68Å; L349-Y394 HydrophobicContact CD2-CE1 4.2Å; L349-Y394 HydrophobicContact CD2-CG 3.9Å; L353-Y394 HydrophobicContact CD1-CD2 4.25Å; L353-Y394 HydrophobicContact CD1-CE2 4.15Å; L353-Y394 HydrophobicContact CD2-CE2 4.46Å; Y394-R416 WeakPolarHBondContact CA-O 3.35Å; Y394-R416 HydrophobicContact CD1-CB 3.47Å; Y394-R416 VanDerWaalsContact CD1-CB 3.47Å; Y394-R416 HydrophobicContact CD1-CG 4.17Å; Y394-R416 HydrophobicContact CE1-CB 3.57Å; Y394-R416 HydrophobicContact CE1-CG 3.84Å; Y394-R416 HydrophobicContact CG-CB 4.13Å; Y394-L418 HydrophobicContact CD1-CD1 3.85Å; Y394-Y445 HydrophobicContact CE1-CD1 4.25Å; Y394-Y445 HydrophobicContact CE1-CE1 4.03Å
395	T	96.6	Very high	82.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	178.6	175.4	-165.2	0	0	0	0	110.2	H317 G399 F400 F415 R416 I417 L418	H317-T395 PolarHBondContact CD2-OG1 3.06Å; H317-T395 VanDerWaalsContact O-CA 3.26Å; H317-T395 WeakPolarHBondContact O-CA 3.4Å; H317-T395 WeakPolarHBondContact O-CB 3.29Å; H317-T395 PolarHBondContact O-OG1 2.93Å; T395-G399 WeakPolarHBondContact OG1-CA 3.47Å; T395-F400 HydrophobicContact CG2-CB 3.82Å; T395-F400 PolarHBondContact OG1-N 3.38Å; T395-F415 HydrophobicContact CG2-CD1 3.99Å; T395-R416 PolarHBondContact N-O 3.33Å; T395-I417 HydrophobicContact CG2-CD1 3.58Å; T395-I417 CarbonylContact O-C 3.54Å; T395-I417 VanDerWaalsContact O-CA 3.28Å; T395-I417 WeakPolarHBondContact O-CA 3.28Å; T395-L418 PolarHBondContact O-N 2.77Å
396	D	94.5	Very high	84.2	Confident	12 Å²	12	40.9 Å²	40.9	6%	0.064	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	178.6	170.1	57.5	58.5	0	0	0	109.9	G319 F320 W346 T398 G399 F400	G319-D396 PolarHBondContact N-OD2 2.98Å; F320-D396 VanDerWaalsContact CD1-OD2 3.29Å; F320-D396 WeakPolarHBondContact CD1-OD2 3.12Å; F320-D396 PolarHBondContact N-OD2 3.28Å; W346-D396 HydrophobicContact CZ2-CB 4.37Å; D396-T398 VanDerWaalsContact C-N 3.28Å; D396-T398 PolarHBondContact O-N 2.98Å; D396-T398 WeakPolarHBondContact OD1-CA 3.15Å; D396-T398 VanDerWaalsContact OD1-CB 3.26Å; D396-T398 WeakPolarHBondContact OD1-CB 3.25Å; D396-T398 PolarHBondContact OD1-N 3.09Å; D396-G399 PolarHBondContact O-N 3.08Å; D396-G399 PolarHBondContact OD1-N 3.26Å; D396-F400 WeakPolarHBondContact O-CB 3.21Å; D396-F400 PolarHBondContact O-N 3.32Å
397	I	93	Very high	85.1	Confident	12 Å²	12	41.8 Å²	41.8	6%	0.062	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-40	-178.8	-65	173	0	0	0	111.8	R401 I417 D419 W434 L437	I397-R401 WeakPolarHBondContact O-CG 3.38Å; I397-R401 PolarHBondContact O-N 3.07Å; I397-I417 HydrophobicContact CG1-CG2 3.81Å; I397-D419 HydrophobicContact CD1-CB 4.34Å; I397-W434 HydrophobicContact CB-CE3 4.22Å; I397-W434 HydrophobicContact CG2-CE3 3.8Å; I397-W434 HydrophobicContact CG2-CZ3 4.36Å; I397-L437 HydrophobicContact CG1-CD1 4.26Å; I397-L437 HydrophobicContact CG2-CD1 4.28Å
398	T	90.5	Very high	86.1	Confident	15 Å²	15	39.3 Å²	39.3	9%	0.092	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-49.8	178.1	-63.2	0	0	0	0	110.4	F325 D396 R401 N402	F325-T398 HydrophobicContact CD2-CG2 3.37Å; F325-T398 HydrophobicContact CE2-CG2 3.81Å; F325-T398 VanDerWaalsContact CE2-OG1 3.23Å; F325-T398 WeakPolarHBondContact CE2-OG1 3.38Å; F325-T398 HydrophobicContact CG-CG2 4.19Å; D396-T398 VanDerWaalsContact C-N 3.28Å; D396-T398 PolarHBondContact O-N 2.98Å; D396-T398 WeakPolarHBondContact OD1-CA 3.15Å; D396-T398 VanDerWaalsContact OD1-CB 3.26Å; D396-T398 WeakPolarHBondContact OD1-CB 3.25Å; D396-T398 PolarHBondContact OD1-N 3.09Å; T398-R401 PolarHBondContact O-N 3.42Å; T398-N402 WeakPolarHBondContact O-CB 3.43Å; T398-N402 VanDerWaalsContact O-CG 3.26Å; T398-N402 PolarHBondContact O-N 2.86Å
399	G	92.4	Very high	86.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-47	179.3	0	0	0	0	0	111.6	T395 D396 R401 N402 L403	T395-G399 WeakPolarHBondContact OG1-CA 3.47Å; D396-G399 PolarHBondContact O-N 3.08Å; D396-G399 PolarHBondContact OD1-N 3.26Å; G399-R401 VanDerWaalsContact C-N 3.29Å; G399-R401 PolarHBondContact O-N 3.47Å; G399-N402 PolarHBondContact O-N 2.75Å; G399-N402 VanDerWaalsContact O-N 3.14Å; G399-L403 WeakPolarHBondContact O-CB 3.27Å; G399-L403 WeakPolarHBondContact O-CG 3.43Å; G399-L403 PolarHBondContact O-N 2.91Å
400	F	93.2	Very high	86.6	Confident	6 Å²	6	43.2 Å²	43.2	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-54.3	-45.5	175.7	179.1	-105.8	0	0	0	112.5	T395 D396 L403 K404 L412 F415 I417 L437 L439	T395-F400 HydrophobicContact CG2-CB 3.82Å; T395-F400 PolarHBondContact OG1-N 3.38Å; D396-F400 WeakPolarHBondContact O-CB 3.21Å; D396-F400 PolarHBondContact O-N 3.32Å; F400-L403 PolarHBondContact O-N 3.49Å; F400-K404 WeakPolarHBondContact O-CB 3.39Å; F400-K404 PolarHBondContact O-N 3.06Å; F400-L412 HydrophobicContact CE2-CD2 4.17Å; F400-L412 HydrophobicContact CZ-CD2 4.06Å; F400-F415 HydrophobicContact CD2-CB 4.44Å; F400-F415 AromaticContact CD2-CD1 3.62Å; F400-F415 HydrophobicContact CD2-CD1 3.62Å; F400-F415 AromaticContact CD2-CE1 3.92Å; F400-F415 HydrophobicContact CD2-CE1 3.92Å; F400-F415 AromaticContact CD2-CG 3.96Å; F400-F415 HydrophobicContact CD2-CG 3.96Å; F400-F415 HydrophobicContact CD2-CZ 4.5Å; F400-F415 HydrophobicContact CE2-CB 4.43Å; F400-F415 HydrophobicContact CE2-CD1 4.03Å; F400-F415 HydrophobicContact CE2-CD2 4.15Å; F400-F415 HydrophobicContact CE2-CE1 4.28Å; F400-F415 HydrophobicContact CE2-CE2 4.4Å; F400-F415 AromaticContact CE2-CG 3.94Å; F400-F415 HydrophobicContact CE2-CG 3.94Å; F400-F415 HydrophobicContact CE2-CZ 4.45Å; F400-I417 HydrophobicContact CB-CD1 3.86Å; F400-I417 HydrophobicContact CD2-CD1 3.79Å; F400-I417 HydrophobicContact CG-CD1 3.93Å; F400-L437 HydrophobicContact CD1-CD2 3.92Å; F400-L437 HydrophobicContact CE1-CD2 4.03Å; F400-L439 HydrophobicContact CE1-CD1 4.25Å; F400-L439 HydrophobicContact CE2-CD1 4.22Å; F400-L439 HydrophobicContact CE2-CD2 4.37Å; F400-L439 HydrophobicContact CZ-CD1 4.01Å; F400-L439 HydrophobicContact CZ-CD2 3.91Å; F400-L439 HydrophobicContact CZ-CG 4.3Å
401	R	91.2	Very high	86.4	Confident	66 Å²	66	45.8 Å²	45.8	25%	0.249	22%	0.217	C	C	.	.	H	α-helix	trans	-68.6	-40.1	178.6	-72.7	173	169.1	-177.4	-1.2	112.5	I397 T398 G399 K404 K405 E432 L433 S435 L437	I397-R401 WeakPolarHBondContact O-CG 3.38Å; I397-R401 PolarHBondContact O-N 3.07Å; T398-R401 PolarHBondContact O-N 3.42Å; G399-R401 VanDerWaalsContact C-N 3.29Å; G399-R401 PolarHBondContact O-N 3.47Å; R401-K404 PolarHBondContact O-N 3.26Å; R401-K405 WeakPolarHBondContact O-CG 3.05Å; R401-K405 PolarHBondContact O-N 3.09Å; R401-E432 PolarHBondContact NH2-O 3.05Å; R401-L433 PolarHBondContact NH1-O 3.4Å; R401-L433 PolarHBondContact NH2-O 3.38Å; R401-S435 PolarHBondContact NH2-O 2.92Å; R401-L437 HydrophobicContact CG-CD2 4.27Å
402	N	89.5	Confident	86.4	Confident	27 Å²	27	47 Å²	47	14%	0.144	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-41.2	176.6	-69.2	-13.3	0	0	0	111.2	A366 T398 G399 K404 K405 V406	A366-N402 HydrophobicContact CB-CB 3.91Å; T398-N402 WeakPolarHBondContact O-CB 3.43Å; T398-N402 VanDerWaalsContact O-CG 3.26Å; T398-N402 PolarHBondContact O-N 2.86Å; G399-N402 PolarHBondContact O-N 2.75Å; G399-N402 VanDerWaalsContact O-N 3.14Å; N402-K404 PolarHBondContact O-N 3.46Å; N402-K405 WeakPolarHBondContact O-CB 3.47Å; N402-K405 PolarHBondContact O-N 3.5Å; N402-V406 PolarHBondContact O-N 2.91Å
403	L	88.4	Confident	86.2	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-39.7	174	-66.6	174.8	0	0	0	112	H317 A369 L373 I393 G399 F400 K405 V406 I408 F415	H317-L403 HydrophobicContact CB-CD1 4.09Å; A369-L403 HydrophobicContact CB-CD2 3.38Å; L373-L403 HydrophobicContact CD1-CD2 4.28Å; I393-L403 HydrophobicContact CG2-CD1 4.42Å; G399-L403 WeakPolarHBondContact O-CB 3.27Å; G399-L403 WeakPolarHBondContact O-CG 3.43Å; G399-L403 PolarHBondContact O-N 2.91Å; F400-L403 PolarHBondContact O-N 3.49Å; L403-K405 VanDerWaalsContact C-N 3.35Å; L403-K405 PolarHBondContact O-N 2.04Å; L403-V406 WeakPolarHBondContact O-CG2 3.49Å; L403-V406 PolarHBondContact O-N 3.17Å; L403-I408 HydrophobicContact CB-CD1 3.62Å; L403-I408 HydrophobicContact CD2-CD1 3.27Å; L403-I408 HydrophobicContact CG-CD1 3.96Å; L403-F415 HydrophobicContact CD1-CE1 3.94Å
404	K	85.1	Confident	86.1	Confident	148 Å²	148	48.4 Å²	48.4	64%	0.643	23%	0.229	S	C	*	.	H	α-helix	trans	-63.1	-39.4	175.3	-168.3	175.1	-179.1	175.9	0	112.1	F400 R401 N402 V406 N407	F400-K404 WeakPolarHBondContact O-CB 3.39Å; F400-K404 PolarHBondContact O-N 3.06Å; R401-K404 PolarHBondContact O-N 3.26Å; N402-K404 PolarHBondContact O-N 3.46Å; K404-V406 VanDerWaalsContact C-N 3.29Å; K404-V406 PolarHBondContact O-N 2.82Å; K404-N407 PolarHBondContact O-N 3.1Å
405	K	85.6	Confident	85.9	Confident	165 Å²	165	48.8 Å²	48.8	72%	0.717	23%	0.231	S	C	*	.	H	α-helix	trans	-63.6	-31.4	178	-71.5	171	-175.1	172.5	0	113.3	R401 N402 L403 N407	R401-K405 WeakPolarHBondContact O-CG 3.05Å; R401-K405 PolarHBondContact O-N 3.09Å; N402-K405 WeakPolarHBondContact O-CB 3.47Å; N402-K405 PolarHBondContact O-N 3.5Å; L403-K405 VanDerWaalsContact C-N 3.35Å; L403-K405 PolarHBondContact O-N 2.04Å; K405-N407 VanDerWaalsContact C-N 3.28Å; K405-N407 PolarHBondContact O-N 2.71Å
406	V	81	Confident	86	Confident	34 Å²	34	49.2 Å²	49.2	21%	0.206	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	8.9	-178	-61.9	0	0	0	0	114.1	A366 K370 N402 L403 K404 I408	A366-V406 HydrophobicContact CB-CG1 4.12Å; A366-V406 HydrophobicContact CB-CG2 4.42Å; K370-V406 HydrophobicContact CB-CB 4.48Å; K370-V406 HydrophobicContact CB-CG2 4.14Å; K370-V406 HydrophobicContact CD-CB 4.1Å; K370-V406 VanDerWaalsContact CE-O 3.28Å; K370-V406 WeakPolarHBondContact CE-O 3.02Å; K370-V406 HydrophobicContact CG-CB 4.48Å; K370-V406 HydrophobicContact CG-CG2 4.43Å; K370-V406 PolarHBondContact NZ-O 2.73Å; N402-V406 PolarHBondContact O-N 2.91Å; L403-V406 WeakPolarHBondContact O-CG2 3.49Å; L403-V406 PolarHBondContact O-N 3.17Å; K404-V406 VanDerWaalsContact C-N 3.29Å; K404-V406 PolarHBondContact O-N 2.82Å; V406-I408 HydrophobicContact CG2-CD1 3.52Å; V406-I408 HydrophobicContact CG2-CG1 3.9Å
407	N	68.1	Low	86.2	Confident	129 Å²	129	48.6 Å²	48.6	69%	0.69	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	48.4	175.1	-159.4	21.5	0	0	0	114.3	K404 K405	K404-N407 PolarHBondContact O-N 3.1Å; K405-N407 VanDerWaalsContact C-N 3.28Å; K405-N407 PolarHBondContact O-N 2.71Å
408	I	69.2	Low	86.4	Confident	24 Å²	24	48.5 Å²	48.5	12%	0.123	23%	0.229	C	C	.	.			trans	-68.5	132.9	173.8	-75.4	153.9	0	0	0	110.4	L373 L403 V406 T410	L373-I408 HydrophobicContact CB-CG1 4.4Å; L373-I408 HydrophobicContact CB-CG2 4.33Å; L373-I408 HydrophobicContact CD1-CB 4.44Å; L373-I408 HydrophobicContact CD1-CD1 3.36Å; L373-I408 HydrophobicContact CD1-CG1 3.78Å; L373-I408 HydrophobicContact CD1-CG2 3.8Å; L373-I408 HydrophobicContact CD2-CG2 4.43Å; L373-I408 HydrophobicContact CG-CG2 4.43Å; L403-I408 HydrophobicContact CB-CD1 3.62Å; L403-I408 HydrophobicContact CD2-CD1 3.27Å; L403-I408 HydrophobicContact CG-CD1 3.96Å; V406-I408 HydrophobicContact CG2-CD1 3.52Å; V406-I408 HydrophobicContact CG2-CG1 3.9Å; I408-T410 VanDerWaalsContact C-N 3.33Å; I408-T410 VanDerWaalsContact CG2-OG1 3.26Å; I408-T410 WeakPolarHBondContact CG2-OG1 3.34Å; I408-T410 PolarHBondContact O-N 3.24Å
409	R	67.1	Low	86.6	Confident	173 Å²	173	48.4 Å²	48.4	65%	0.653	23%	0.228	S	C	*	.			trans	-88.3	54.3	178.8	-65.1	-175.7	178.6	173.4	-0.2	112.9	N388	N388-R409 PolarHBondContact ND2-O 3.23Å; N388-R409 PolarHBondContact OD1-O 3.22Å; N388-R409 VanDerWaalsContact OD1-O 3.05Å
410	T	74.6	Confident	86.7	Confident	17 Å²	17	49.6 Å²	49.6	10%	0.104	24%	0.235	C	C	.	.			trans	-114.8	131.6	178.8	-56.5	0	0	0	0	111.6	N388 I393 I408 L412 K414 F415	N388-T410 WeakPolarHBondContact OD1-CA 3.4Å; N388-T410 PolarHBondContact OD1-OG1 3.44Å; I393-T410 HydrophobicContact CD1-CG2 3.7Å; I408-T410 VanDerWaalsContact C-N 3.33Å; I408-T410 VanDerWaalsContact CG2-OG1 3.26Å; I408-T410 WeakPolarHBondContact CG2-OG1 3.34Å; I408-T410 PolarHBondContact O-N 3.24Å; T410-L412 PolarHBondContact O-N 3.27Å; T410-K414 HydrophobicContact CG2-CB 4.13Å; T410-K414 HydrophobicContact CG2-CD 3.96Å; T410-F415 HydrophobicContact CG2-CE2 4.22Å
411	P	81.6	Confident	86.8	Confident	57 Å²	57	50.4 Å²	50.4	37%	0.37	24%	0.239	S	C	.	.			trans	-53.6	133.1	175.8	-27.4	32.5	0	0	0	112.4	N388 C413 K414	N388-P411 WeakPolarHBondContact ND2-CD 3.36Å; P411-C413 PolarHBondContact O-N 3.38Å; P411-C413 VanDerWaalsContact O-N 3.14Å; P411-K414 HydrophobicContact CB-CG 4.4Å; P411-K414 WeakPolarHBondContact O-CB 3.36Å; P411-K414 PolarHBondContact O-N 3.06Å
412	L	87.9	Confident	86.9	Confident	79 Å²	79	47.2 Å²	47.2	41%	0.414	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-57.6	-32.4	-177.5	-64.3	179.7	0	0	0	112.7	F400 T410 K414 F415 L439 Q443 Y662	F400-L412 HydrophobicContact CE2-CD2 4.17Å; F400-L412 HydrophobicContact CZ-CD2 4.06Å; T410-L412 PolarHBondContact O-N 3.27Å; L412-K414 PolarHBondContact O-N 3.46Å; L412-K414 VanDerWaalsContact O-N 3.15Å; L412-F415 WeakPolarHBondContact O-CD2 3.38Å; L412-F415 PolarHBondContact O-N 3.08Å; L412-F415 VanDerWaalsContact O-N 3.17Å; L412-L439 HydrophobicContact CB-CD2 4.17Å; L412-Q443 PolarHBondContact O-NE2 3.47Å; L412-Y662 HydrophobicContact CB-CE1 3.85Å; L412-Y662 WeakPolarHBondContact CB-OH 3.07Å
413	C	89.4	Confident	87.3	Confident	12 Å²	12	46 Å²	46	8%	0.081	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-64.6	-15.5	179.2	66.3	0	0	0	0	114.9	P411 F415 R416 I656 C657 Y662	P411-C413 PolarHBondContact O-N 3.38Å; P411-C413 VanDerWaalsContact O-N 3.14Å; C413-F415 VanDerWaalsContact C-N 3.35Å; C413-R416 PolarHBondContact O-NH1 3.38Å; C413-I656 HydrophobicContact CB-CG2 4.2Å; C413-C657 HydrophobicContact CB-CB 3.78Å; C413-C657 WeakPolarHBondContact CB-SG 3.45Å; C413-C657 WeakPolarHBondContact SG-CA 3.4Å; C413-C657 WeakPolarHBondContact SG-CB 3.26Å; C413-C657 CovalentContact SG-SG 2.03Å; C413-C657 PolarHBondContact SG-SG 2.92Å; C413-Y662 VanDerWaalsContact CA-CE2 3.48Å; C413-Y662 HydrophobicContact CB-CD1 4.4Å; C413-Y662 HydrophobicContact CB-CD2 3.44Å; C413-Y662 VanDerWaalsContact CB-CD2 3.44Å; C413-Y662 HydrophobicContact CB-CE1 4.38Å; C413-Y662 HydrophobicContact CB-CE2 3.39Å; C413-Y662 HydrophobicContact CB-CG 3.95Å
414	K	91.2	Very high	87.5	Confident	38 Å²	38	47 Å²	47	17%	0.165	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-82.2	-13.2	177.4	-67.5	-167.9	170.2	-160	0	113.5	Y390 D391 I393 T410 P411 L412	Y390-K414 PolarHBondContact O-NZ 3.27Å; D391-K414 WeakPolarHBondContact O-CD 3.26Å; I393-K414 PolarHBondContact N-O 3.05Å; T410-K414 HydrophobicContact CG2-CB 4.13Å; T410-K414 HydrophobicContact CG2-CD 3.96Å; P411-K414 HydrophobicContact CB-CG 4.4Å; P411-K414 WeakPolarHBondContact O-CB 3.36Å; P411-K414 PolarHBondContact O-N 3.06Å; L412-K414 PolarHBondContact O-N 3.46Å; L412-K414 VanDerWaalsContact O-N 3.15Å
415	F	94.9	Very high	88	Confident	9 Å²	9	40 Å²	40	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	143.1	-179.7	-70.6	-94.8	0	0	0	111.5	I393 T395 F400 L403 T410 L412 C413 I417 Q443	I393-F415 HydrophobicContact CB-CD1 4.09Å; I393-F415 HydrophobicContact CB-CE1 4.25Å; I393-F415 HydrophobicContact CD1-CE1 4.11Å; I393-F415 HydrophobicContact CD1-CZ 4.03Å; I393-F415 HydrophobicContact CG2-CD1 3.99Å; I393-F415 HydrophobicContact CG2-CE1 3.96Å; I393-F415 CarbonylContact O-C 3.58Å; I393-F415 WeakPolarHBondContact O-CA 3.35Å; T395-F415 HydrophobicContact CG2-CD1 3.99Å; F400-F415 HydrophobicContact CD2-CB 4.44Å; F400-F415 AromaticContact CD2-CD1 3.62Å; F400-F415 HydrophobicContact CD2-CD1 3.62Å; F400-F415 AromaticContact CD2-CE1 3.92Å; F400-F415 HydrophobicContact CD2-CE1 3.92Å; F400-F415 AromaticContact CD2-CG 3.96Å; F400-F415 HydrophobicContact CD2-CG 3.96Å; F400-F415 HydrophobicContact CD2-CZ 4.5Å; F400-F415 HydrophobicContact CE2-CB 4.43Å; F400-F415 HydrophobicContact CE2-CD1 4.03Å; F400-F415 HydrophobicContact CE2-CD2 4.15Å; F400-F415 HydrophobicContact CE2-CE1 4.28Å; F400-F415 HydrophobicContact CE2-CE2 4.4Å; F400-F415 AromaticContact CE2-CG 3.94Å; F400-F415 HydrophobicContact CE2-CG 3.94Å; F400-F415 HydrophobicContact CE2-CZ 4.45Å; L403-F415 HydrophobicContact CD1-CE1 3.94Å; T410-F415 HydrophobicContact CG2-CE2 4.22Å; L412-F415 WeakPolarHBondContact O-CD2 3.38Å; L412-F415 PolarHBondContact O-N 3.08Å; L412-F415 VanDerWaalsContact O-N 3.17Å; C413-F415 VanDerWaalsContact C-N 3.35Å; F415-I417 HydrophobicContact CB-CD1 3.97Å; F415-Q443 PolarHBondContact O-NE2 2.93Å
416	R	97.8	Very high	88.3	Confident	9 Å²	9	36 Å²	36	3%	0.034	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.8	168.7	-58.5	-60.3	-175.6	-84.5	-1.4	106.9	I393 Y394 T395 C413 Y445 Q654 I656	I393-R416 PolarHBondContact O-N 3.28Å; Y394-R416 WeakPolarHBondContact CA-O 3.35Å; Y394-R416 HydrophobicContact CD1-CB 3.47Å; Y394-R416 VanDerWaalsContact CD1-CB 3.47Å; Y394-R416 HydrophobicContact CD1-CG 4.17Å; Y394-R416 HydrophobicContact CE1-CB 3.57Å; Y394-R416 HydrophobicContact CE1-CG 3.84Å; Y394-R416 HydrophobicContact CG-CB 4.13Å; T395-R416 PolarHBondContact N-O 3.33Å; C413-R416 PolarHBondContact O-NH1 3.38Å; R416-Y445 HydrophobicContact CB-CD2 4.36Å; R416-Y445 HydrophobicContact CB-CE2 4.21Å; R416-Y445 VanDerWaalsContact CD-CE2 3.48Å; R416-Y445 WeakPolarHBondContact CD-OH 3.05Å; R416-Y445 HydrophobicContact CG-CE2 4.27Å; R416-Y445 PolarHBondContact NE-OH 3.37Å; R416-Q654 PolarHBondContact NH2-O 3.35Å; R416-I656 VanDerWaalsContact CZ-CD1 3.41Å
417	I	97.9	Very high	88.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	106.4	-169.7	-49.3	-53.8	0	0	0	108.9	T395 I397 F400 F415 D419 L439 Q443 F444 Y445	T395-I417 HydrophobicContact CG2-CD1 3.58Å; T395-I417 CarbonylContact O-C 3.54Å; T395-I417 VanDerWaalsContact O-CA 3.28Å; T395-I417 WeakPolarHBondContact O-CA 3.28Å; I397-I417 HydrophobicContact CG1-CG2 3.81Å; F400-I417 HydrophobicContact CB-CD1 3.86Å; F400-I417 HydrophobicContact CD2-CD1 3.79Å; F400-I417 HydrophobicContact CG-CD1 3.93Å; F415-I417 HydrophobicContact CB-CD1 3.97Å; I417-D419 PolarHBondContact O-N 2.96Å; I417-L439 HydrophobicContact CD1-CD1 4.22Å; I417-L439 HydrophobicContact CG1-CD1 3.71Å; I417-Q443 PolarHBondContact N-O 3.48Å; I417-F444 HydrophobicContact CB-CD1 3.92Å; I417-F444 HydrophobicContact CB-CE1 4.19Å; I417-F444 HydrophobicContact CG1-CE1 4.38Å; I417-F444 HydrophobicContact CG2-CD1 4Å; I417-F444 HydrophobicContact CG2-CE1 4.1Å; I417-F444 CarbonylContact O-C 3.28Å; I417-F444 WeakPolarHBondContact O-CA 3.41Å; I417-Y445 PolarHBondContact O-N 2.97Å
418	L	97.8	Very high	90.2	Very high	9 Å²	9	28.8 Å²	28.8	5%	0.047	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	116.9	171.5	-82.2	68.8	0	0	0	108.5	Q345 W346 L349 Y394 T395 L457	Q345-L418 HydrophobicContact CG-CD2 3.88Å; W346-L418 HydrophobicContact CD2-CD2 3.75Å; W346-L418 HydrophobicContact CE3-CD2 4.15Å; W346-L418 HydrophobicContact CG-CD2 4.22Å; W346-L418 HydrophobicContact CH2-CD1 4.19Å; W346-L418 HydrophobicContact CH2-CD2 4.21Å; W346-L418 HydrophobicContact CZ2-CB 4.18Å; W346-L418 HydrophobicContact CZ2-CD1 4.31Å; W346-L418 HydrophobicContact CZ2-CD2 3.83Å; W346-L418 HydrophobicContact CZ2-CG 4.33Å; W346-L418 HydrophobicContact CZ3-CD2 4.36Å; L349-L418 HydrophobicContact CD2-CD1 4.16Å; L349-L418 HydrophobicContact CD2-CD2 4.17Å; Y394-L418 HydrophobicContact CD1-CD1 3.85Å; T395-L418 PolarHBondContact O-N 2.77Å; L418-L457 HydrophobicContact CD1-CD2 4.33Å; L418-L457 HydrophobicContact CD2-CD2 4.11Å; L418-L457 HydrophobicContact CG-CD2 4.08Å
419	D	95.9	Very high	91.4	Very high	14 Å²	14	29.1 Å²	29.1	8%	0.075	14%	0.14	C	C	.	.			trans	-140.5	97.8	-175.7	174.9	13	0	0	0	108.6	I397 I417 F421 G422 T423 F444 Y445 T446	I397-D419 HydrophobicContact CD1-CB 4.34Å; I417-D419 PolarHBondContact O-N 2.96Å; D419-F421 VanDerWaalsContact C-N 3.33Å; D419-F421 PolarHBondContact O-N 3.41Å; D419-G422 PolarHBondContact O-N 2.84Å; D419-G422 VanDerWaalsContact O-N 3.16Å; D419-G422 PolarHBondContact OD1-N 2.78Å; D419-G422 VanDerWaalsContact OD2-CA 3.28Å; D419-G422 WeakPolarHBondContact OD2-CA 3.46Å; D419-T423 PolarHBondContact OD2-N 3.32Å; D419-T423 PolarHBondContact OD2-OG1 3.43Å; D419-F444 HydrophobicContact CB-CD1 4.2Å; D419-Y445 PolarHBondContact N-O 3.35Å; D419-T446 WeakPolarHBondContact O-CA 3.43Å
420	T	93.9	Very high	92.4	Very high	25 Å²	25	25.3 Å²	25.3	15%	0.153	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-48.5	-169.4	-57.9	0	0	0	0	113.2	F447 H450	T420-F447 HydrophobicContact CG2-CB 3.77Å; T420-F447 HydrophobicContact CG2-CD1 3.88Å; T420-F447 HydrophobicContact CG2-CG 4.04Å; T420-F447 PolarHBondContact O-N 3.49Å; T420-H450 PolarHBondContact O-CE1 2.81Å; T420-H450 PolarHBondContact O-NE2 3.08Å; T420-H450 VanDerWaalsContact O-NE2 3.17Å
421	F	94	Very high	92.9	Very high	22 Å²	22	34 Å²	34	10%	0.096	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-9.2	-174.1	-67.2	-79.1	0	0	0	113.4	D419 H450 S451 F580 F581 K584	D419-F421 VanDerWaalsContact C-N 3.33Å; D419-F421 PolarHBondContact O-N 3.41Å; F421-H450 PolarHBondContact O-CE1 2.79Å; F421-H450 PolarHBondContact O-ND1 2.83Å; F421-S451 PolarHBondContact O-OG 3.48Å; F421-F580 HydrophobicContact CE1-CE1 4.24Å; F421-F580 HydrophobicContact CE2-CE1 4.01Å; F421-F580 AromaticContact CE2-CZ 3.94Å; F421-F580 HydrophobicContact CE2-CZ 3.94Å; F421-F580 AromaticContact CZ-CE1 3.63Å; F421-F580 HydrophobicContact CZ-CE1 3.63Å; F421-F580 AromaticContact CZ-CZ 3.81Å; F421-F580 HydrophobicContact CZ-CZ 3.81Å; F421-F581 HydrophobicContact CD1-CE1 4Å; F421-F581 HydrophobicContact CE1-CE1 4.08Å; F421-F581 HydrophobicContact CE1-CZ 4.38Å; F421-K584 HydrophobicContact CB-CD 4.22Å; F421-K584 HydrophobicContact CD2-CD 3.69Å; F421-K584 HydrophobicContact CE2-CD 4.21Å; F421-K584 HydrophobicContact CG-CD 3.89Å
422	G	95.1	Very high	93	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.158	C	C	.	.			trans	79.3	165.4	-179.9	0	0	0	0	0	113.9	D419 N454	D419-G422 PolarHBondContact O-N 2.84Å; D419-G422 VanDerWaalsContact O-N 3.16Å; D419-G422 PolarHBondContact OD1-N 2.78Å; D419-G422 VanDerWaalsContact OD2-CA 3.28Å; D419-G422 WeakPolarHBondContact OD2-CA 3.46Å; G422-N454 VanDerWaalsContact CA-OD1 3.3Å; G422-N454 WeakPolarHBondContact CA-OD1 3.49Å
423	T	96.1	Very high	92.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	16%	0.16	C	C	.	.			trans	-125	118	-176.5	-71.7	0	0	0	0	109.1	D419 N428 L441 F444 N454 P585	D419-T423 PolarHBondContact OD2-N 3.32Å; D419-T423 PolarHBondContact OD2-OG1 3.43Å; T423-N428 HydrophobicContact CG2-CB 3.86Å; T423-L441 HydrophobicContact CG2-CD2 4.46Å; T423-F444 HydrophobicContact CG2-CD2 4.33Å; T423-F444 HydrophobicContact CG2-CE1 4.37Å; T423-F444 HydrophobicContact CG2-CE2 3.99Å; T423-F444 HydrophobicContact CG2-CZ 4.01Å; T423-N454 PolarHBondContact N-OD1 3.07Å; T423-N454 PolarHBondContact O-ND2 3.24Å; T423-N454 PolarHBondContact O-OD1 3.01Å; T423-P585 WeakPolarHBondContact CA-O 3.36Å; T423-P585 HydrophobicContact CG2-CB 4.19Å; T423-P585 VanDerWaalsContact OG1-CG 3.29Å; T423-P585 WeakPolarHBondContact OG1-CG 3.27Å
424	E	94.5	Very high	92.5	Very high	23 Å²	23	36.2 Å²	36.2	11%	0.107	17%	0.167	C	C	.	.			trans	-80.1	157.3	173.9	-71.5	165.2	-165	0	0	111.6	L426 Y427 N428 P585 T586 S587 R588	E424-L426 VanDerWaalsContact C-N 3.27Å; E424-L426 PolarHBondContact O-N 3.14Å; E424-Y427 HydrophobicContact CB-CD2 4.09Å; E424-Y427 PolarHBondContact O-N 3.2Å; E424-N428 PolarHBondContact O-N 3.26Å; E424-P585 PolarHBondContact N-O 3.14Å; E424-T586 PolarHBondContact OE1-OG1 2.93Å; E424-S587 PolarHBondContact OE1-N 2.71Å; E424-S587 WeakPolarHBondContact OE2-CB 3.13Å; E424-S587 PolarHBondContact OE2-N 3.13Å; E424-S587 PolarHBondContact OE2-OG 2.86Å; E424-S587 VanDerWaalsContact OE2-OG 3.09Å; E424-R588 PolarHBondContact OE1-N 3.46Å; E424-R588 VanDerWaalsContact OE1-N 3.1Å
425	A	93.9	Very high	92.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-54.4	-41.1	-175.9	0	0	0	0	0	112.9	Y427 N428 R429 L441 D822	A425-Y427 PolarHBondContact O-N 2.92Å; A425-N428 PolarHBondContact O-N 2.82Å; A425-R429 VanDerWaalsContact C-NH1 3.32Å; A425-R429 VanDerWaalsContact CB-NH1 3.28Å; A425-R429 WeakPolarHBondContact O-CG 3.46Å; A425-R429 VanDerWaalsContact O-CZ 3.29Å; A425-R429 PolarHBondContact O-N 2.94Å; A425-R429 PolarHBondContact O-NH1 2.77Å; A425-R429 VanDerWaalsContact O-NH1 3.14Å; A425-L441 HydrophobicContact CB-CD1 3.55Å; A425-D822 HydrophobicContact CB-CB 3.93Å; A425-D822 WeakPolarHBondContact CB-OD2 3.14Å
426	L	92.6	Very high	92.2	Very high	81 Å²	81	35.1 Å²	35.1	42%	0.424	17%	0.168	S	C	.	.	H	α-helix	trans	-54.2	-49.8	176.1	176.5	62	0	0	0	112.4	E424 R429 K430	E424-L426 VanDerWaalsContact C-N 3.27Å; E424-L426 PolarHBondContact O-N 3.14Å; L426-R429 PolarHBondContact O-N 2.82Å; L426-K430 WeakPolarHBondContact O-CB 3.34Å; L426-K430 PolarHBondContact O-N 3.4Å
427	Y	93.9	Very high	92	Very high	9 Å²	9	35.4 Å²	35.4	4%	0.035	17%	0.17	C	C	.	.	H	α-helix	trans	-81.9	-23.4	-176.7	-56.3	-82.3	0	0	0	112.2	E424 A425 R429 K430 S435 G436 R575 P585 S587	E424-Y427 HydrophobicContact CB-CD2 4.09Å; E424-Y427 PolarHBondContact O-N 3.2Å; A425-Y427 PolarHBondContact O-N 2.92Å; Y427-R429 PolarHBondContact O-N 2.98Å; Y427-K430 PolarHBondContact O-N 2.76Å; Y427-S435 WeakPolarHBondContact O-CA 3.14Å; Y427-S435 WeakPolarHBondContact O-CB 3.38Å; Y427-G436 PolarHBondContact O-N 3.14Å; Y427-R575 PolarHBondContact OH-NE 3.05Å; Y427-R575 VanDerWaalsContact OH-NE 3.16Å; Y427-P585 WeakPolarHBondContact CD2-O 3.44Å; Y427-P585 VanDerWaalsContact CG-C 3.48Å; Y427-P585 HydrophobicContact CG-CB 4.21Å; Y427-S587 WeakPolarHBondContact CE2-OG 3.42Å; Y427-S587 PolarHBondContact OH-OG 3.07Å
428	N	95.2	Very high	91.8	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.011	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-33.3	169	-173.2	42	0	0	0	111.8	T423 E424 A425 G436 L437 H438 L439 L441	T423-N428 HydrophobicContact CG2-CB 3.86Å; E424-N428 PolarHBondContact O-N 3.26Å; A425-N428 PolarHBondContact O-N 2.82Å; N428-G436 CarbonylContact O-C 3.56Å; N428-G436 VanDerWaalsContact O-CA 3.27Å; N428-G436 WeakPolarHBondContact O-CA 3.33Å; N428-L437 PolarHBondContact O-N 3.29Å; N428-L437 VanDerWaalsContact O-N 3.1Å; N428-H438 PolarHBondContact O-N 2.67Å; N428-H438 VanDerWaalsContact O-N 3.15Å; N428-H438 PolarHBondContact OD1-N 3.46Å; N428-L439 PolarHBondContact ND2-O 2.89Å; N428-L439 PolarHBondContact OD1-N 2.86Å; N428-L441 HydrophobicContact CB-CD2 3.63Å
429	R	93.6	Very high	91.6	Very high	32 Å²	32	38.9 Å²	38.9	12%	0.121	19%	0.186	C	C	.	.	H	α-helix	trans	-87.2	-39.8	177	-61.2	-177	-62.4	-91	1.8	113.3	A425 L426 Y427 H438 E819	A425-R429 VanDerWaalsContact C-NH1 3.32Å; A425-R429 VanDerWaalsContact CB-NH1 3.28Å; A425-R429 WeakPolarHBondContact O-CG 3.46Å; A425-R429 VanDerWaalsContact O-CZ 3.29Å; A425-R429 PolarHBondContact O-N 2.94Å; A425-R429 PolarHBondContact O-NH1 2.77Å; A425-R429 VanDerWaalsContact O-NH1 3.14Å; L426-R429 PolarHBondContact O-N 2.82Å; Y427-R429 PolarHBondContact O-N 2.98Å; R429-H438 PolarHBondContact O-CE1 2.83Å; R429-E819 HydrophobicContact CG-CB 4.44Å; R429-E819 PolarHBondContact NH1-O 2.66Å
430	K	89.5	Confident	91.6	Very high	93 Å²	93	39.3 Å²	39.3	40%	0.404	19%	0.188	S	C	.	.	S	Bend	trans	-75.6	128.1	-174.7	-166.9	-177.3	-177	-166.1	0	111.2	L426 Y427 E432 S435 G436	L426-K430 WeakPolarHBondContact O-CB 3.34Å; L426-K430 PolarHBondContact O-N 3.4Å; Y427-K430 PolarHBondContact O-N 2.76Å; K430-E432 HydrophobicContact CD-CG 4.16Å; K430-E432 WeakPolarHBondContact CD-OE1 3.38Å; K430-E432 WeakPolarHBondContact CE-OE1 3.32Å; K430-E432 HydrophobicContact CG-CG 4.19Å; K430-E432 IonicContact NZ-OE1 3.92Å; K430-E432 PolarHBondContact NZ-OE1 3.17Å; K430-E432 PolarHBondContact O-N 3.15Å; K430-S435 CarbonylContact O-C 3.58Å; K430-S435 WeakPolarHBondContact O-CB 3.44Å; K430-G436 WeakPolarHBondContact O-CA 3.4Å; K430-G436 PolarHBondContact O-N 2.9Å
431	K	84.8	Confident	91.7	Very high	199 Å²	199	38.9 Å²	38.9	87%	0.865	19%	0.185	S	C	*	.			trans	-76.3	105.2	177.4	-168.5	177.3	-178.7	-178.2	0	111
432	E	83.7	Confident	91.8	Very high	50 Å²	50	38.5 Å²	38.5	23%	0.234	18%	0.183	C	C	.	.	S	Bend	trans	-141.5	-178.7	172.8	-58	-172	168.1	0	0	110.5	R401 K430 W434 S435 R575	R401-E432 PolarHBondContact NH2-O 3.05Å; K430-E432 HydrophobicContact CD-CG 4.16Å; K430-E432 WeakPolarHBondContact CD-OE1 3.38Å; K430-E432 WeakPolarHBondContact CE-OE1 3.32Å; K430-E432 HydrophobicContact CG-CG 4.19Å; K430-E432 IonicContact NZ-OE1 3.92Å; K430-E432 PolarHBondContact NZ-OE1 3.17Å; K430-E432 PolarHBondContact O-N 3.15Å; E432-W434 VanDerWaalsContact C-N 3.32Å; E432-W434 PolarHBondContact O-N 2.86Å; E432-S435 PolarHBondContact O-N 3.14Å; E432-R575 IonicContact OE1-NH1 3.21Å; E432-R575 IonicContact OE2-NH1 3.76Å; E432-R575 PolarHBondContact OE2-NH1 3.35Å
433	L	83.4	Confident	91.9	Very high	90 Å²	90	38.5 Å²	38.5	47%	0.471	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.3	-173	-179	63	0	0	0	113.5	R401	R401-L433 PolarHBondContact NH1-O 3.4Å; R401-L433 PolarHBondContact NH2-O 3.38Å
434	W	83.1	Confident	92	Very high	55 Å²	55	38.4 Å²	38.4	21%	0.208	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	10.5	177.6	-60.7	106	0	0	0	113.1	F325 I397 E432 D583 P585	F325-W434 HydrophobicContact CE2-CH2 4.14Å; F325-W434 HydrophobicContact CZ-CH2 4.17Å; I397-W434 HydrophobicContact CB-CE3 4.22Å; I397-W434 HydrophobicContact CG2-CE3 3.8Å; I397-W434 HydrophobicContact CG2-CZ3 4.36Å; E432-W434 VanDerWaalsContact C-N 3.32Å; E432-W434 PolarHBondContact O-N 2.86Å; W434-D583 VanDerWaalsContact CD1-O 3.3Å; W434-D583 VanDerWaalsContact CD1-OD2 3.3Å; W434-D583 PolarHBondContact NE1-OD2 3.19Å; W434-P585 HydrophobicContact CB-CG 4.32Å
435	S	88.4	Confident	92.2	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.021	18%	0.178	C	C	.	.			trans	-119.1	-174.7	-162.8	-55.1	0	0	0	0	111.5	R401 Y427 K430 E432	R401-S435 PolarHBondContact NH2-O 2.92Å; Y427-S435 WeakPolarHBondContact O-CA 3.14Å; Y427-S435 WeakPolarHBondContact O-CB 3.38Å; K430-S435 CarbonylContact O-C 3.58Å; K430-S435 WeakPolarHBondContact O-CB 3.44Å; E432-S435 PolarHBondContact O-N 3.14Å
436	G	91.4	Very high	92.4	Very high	21 Å²	21	37.4 Å²	37.4	22%	0.216	18%	0.178	C	C	.	.			trans	68.8	40.7	170.5	0	0	0	0	0	113.9	Y427 N428 K430	Y427-G436 PolarHBondContact O-N 3.14Å; N428-G436 CarbonylContact O-C 3.56Å; N428-G436 VanDerWaalsContact O-CA 3.27Å; N428-G436 WeakPolarHBondContact O-CA 3.33Å; K430-G436 WeakPolarHBondContact O-CA 3.4Å; K430-G436 PolarHBondContact O-N 2.9Å
437	L	92.9	Very high	92.5	Very high	14 Å²	14	33.8 Å²	33.8	7%	0.073	16%	0.159	C	C	.	.			trans	-92.5	-20.2	-177.6	-61.2	-177.6	0	0	0	113.1	I397 F400 R401 N428 L439 F444	I397-L437 HydrophobicContact CG1-CD1 4.26Å; I397-L437 HydrophobicContact CG2-CD1 4.28Å; F400-L437 HydrophobicContact CD1-CD2 3.92Å; F400-L437 HydrophobicContact CE1-CD2 4.03Å; R401-L437 HydrophobicContact CG-CD2 4.27Å; N428-L437 PolarHBondContact O-N 3.29Å; N428-L437 VanDerWaalsContact O-N 3.1Å; L437-L439 HydrophobicContact CB-CD1 4.33Å; L437-L439 HydrophobicContact CB-CG 4.18Å; L437-L439 PolarHBondContact O-N 3.1Å; L437-F444 HydrophobicContact CB-CZ 4.21Å; L437-F444 HydrophobicContact CD1-CE1 3.67Å; L437-F444 HydrophobicContact CD1-CZ 3.93Å
438	H	93.8	Very high	92.6	Very high	83 Å²	83	33.4 Å²	33.4	38%	0.384	16%	0.158	S	C	.	.			trans	49.9	42.4	179.2	-58.8	-89.4	0	0	0	113.2	N428 R429 E819	N428-H438 PolarHBondContact O-N 2.67Å; N428-H438 VanDerWaalsContact O-N 3.15Å; N428-H438 PolarHBondContact OD1-N 3.46Å; R429-H438 PolarHBondContact O-CE1 2.83Å; H438-E819 IonicContact CE1-OE2 3.23Å; H438-E819 IonicContact ND1-OE1 2.86Å; H438-E819 IonicContact ND1-OE2 3.8Å; H438-E819 PolarHBondContact ND1-OE2 3.47Å
439	L	94.8	Very high	92.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.164	C	C	.	.			trans	-98.5	164.2	176.2	-64.2	-179.7	0	0	0	110.7	F400 L412 I417 N428 L437 L441 F444	F400-L439 HydrophobicContact CE1-CD1 4.25Å; F400-L439 HydrophobicContact CE2-CD1 4.22Å; F400-L439 HydrophobicContact CE2-CD2 4.37Å; F400-L439 HydrophobicContact CZ-CD1 4.01Å; F400-L439 HydrophobicContact CZ-CD2 3.91Å; F400-L439 HydrophobicContact CZ-CG 4.3Å; L412-L439 HydrophobicContact CB-CD2 4.17Å; I417-L439 HydrophobicContact CD1-CD1 4.22Å; I417-L439 HydrophobicContact CG1-CD1 3.71Å; N428-L439 PolarHBondContact ND2-O 2.89Å; N428-L439 PolarHBondContact OD1-N 2.86Å; L437-L439 HydrophobicContact CB-CD1 4.33Å; L437-L439 HydrophobicContact CB-CG 4.18Å; L437-L439 PolarHBondContact O-N 3.1Å; L439-L441 PolarHBondContact O-N 2.89Å; L439-F444 HydrophobicContact CB-CE2 4.21Å; L439-F444 HydrophobicContact CB-CZ 4.21Å; L439-F444 HydrophobicContact CD1-CZ 4.29Å
440	N	94.9	Very high	92.5	Very high	22 Å²	22	34.5 Å²	34.5	12%	0.118	17%	0.166	C	C	.	.			trans	-62.8	130.7	165	-177.1	-41.9	0	0	0	107.8	Q442 Q443 I656 T659 F661 Y662	N440-Q442 PolarHBondContact O-N 2.97Å; N440-Q442 VanDerWaalsContact O-N 3.08Å; N440-Q442 WeakPolarHBondContact OD1-CB 3.09Å; N440-Q442 PolarHBondContact OD1-N 3.31Å; N440-Q443 HydrophobicContact CB-CG 4.3Å; N440-Q443 VanDerWaalsContact O-CB 3.26Å; N440-Q443 WeakPolarHBondContact O-CB 3.45Å; N440-Q443 WeakPolarHBondContact O-CG 3.46Å; N440-Q443 PolarHBondContact O-N 3.16Å; N440-I656 HydrophobicContact CB-CG2 4.29Å; N440-T659 PolarHBondContact ND2-OG1 3Å; N440-F661 HydrophobicContact CB-CB 4.33Å; N440-F661 HydrophobicContact CB-CD1 3.87Å; N440-F661 HydrophobicContact CB-CD2 4.23Å; N440-F661 HydrophobicContact CB-CE1 4.23Å; N440-F661 HydrophobicContact CB-CG 3.89Å; N440-F661 WeakPolarHBondContact ND2-CB 3.21Å; N440-Y662 HydrophobicContact CB-CE2 4.13Å
441	L	96.4	Very high	92.8	Very high	17 Å²	17	30.5 Å²	30.5	9%	0.089	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-60.9	-23	-175	-67.9	171.5	0	0	0	113.4	T423 A425 N428 L439 Q443 F444 D453 N454	T423-L441 HydrophobicContact CG2-CD2 4.46Å; A425-L441 HydrophobicContact CB-CD1 3.55Å; N428-L441 HydrophobicContact CB-CD2 3.63Å; L439-L441 PolarHBondContact O-N 2.89Å; L441-Q443 PolarHBondContact O-N 3.06Å; L441-F444 HydrophobicContact CD2-CD2 4.21Å; L441-F444 HydrophobicContact CD2-CE2 4.09Å; L441-F444 WeakPolarHBondContact O-CD2 3.49Å; L441-F444 PolarHBondContact O-N 2.98Å; L441-D453 CarbonylContact C-O 3.57Å; L441-D453 HydrophobicContact CB-CB 4.04Å; L441-D453 WeakPolarHBondContact CB-O 3.38Å; L441-D453 HydrophobicContact CD1-CB 3.77Å; L441-D453 HydrophobicContact CG-CB 4.47Å; L441-N454 WeakPolarHBondContact O-CA 3.21Å; L441-N454 PolarHBondContact O-ND2 2.92Å; L441-N454 VanDerWaalsContact O-ND2 3.08Å
442	Q	96	Very high	93.2	Very high	13 Å²	13	22.9 Å²	22.9	6%	0.061	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-69.8	-4.4	172.2	-67.5	-59.3	-42.6	0	0	114.1	N440 D453 T455 P772 E773	N440-Q442 PolarHBondContact O-N 2.97Å; N440-Q442 VanDerWaalsContact O-N 3.08Å; N440-Q442 WeakPolarHBondContact OD1-CB 3.09Å; N440-Q442 PolarHBondContact OD1-N 3.31Å; Q442-D453 PolarHBondContact N-O 2.82Å; Q442-D453 VanDerWaalsContact NE2-C 3.26Å; Q442-D453 PolarHBondContact NE2-O 3.43Å; Q442-T455 PolarHBondContact O-OG1 3.28Å; Q442-T455 PolarHBondContact OE1-OG1 2.97Å; Q442-P772 HydrophobicContact CG-CG 4.46Å; Q442-E773 HydrophobicContact CG-CG 4.18Å; Q442-E773 PolarHBondContact OE1-OE1 3.39Å
443	Q	97.5	Very high	93.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-84.6	-13.2	173.4	-66.3	178.4	-96.1	0	0	113.2	L412 F415 I417 N440 L441 Y445 I656 Y662	L412-Q443 PolarHBondContact O-NE2 3.47Å; F415-Q443 PolarHBondContact O-NE2 2.93Å; I417-Q443 PolarHBondContact N-O 3.48Å; N440-Q443 HydrophobicContact CB-CG 4.3Å; N440-Q443 VanDerWaalsContact O-CB 3.26Å; N440-Q443 WeakPolarHBondContact O-CB 3.45Å; N440-Q443 WeakPolarHBondContact O-CG 3.46Å; N440-Q443 PolarHBondContact O-N 3.16Å; L441-Q443 PolarHBondContact O-N 3.06Å; Q443-Y445 WeakPolarHBondContact O-CD2 3.13Å; Q443-I656 HydrophobicContact CB-CD1 4.45Å; Q443-I656 HydrophobicContact CG-CD1 3.47Å; Q443-I656 VanDerWaalsContact CG-CD1 3.47Å; Q443-I656 HydrophobicContact CG-CG2 3.89Å; Q443-Y662 PolarHBondContact OE1-OH 2.76Å
444	F	98.2	Very high	94.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.6	176.3	-61.3	-76.6	0	0	0	110.2	I417 D419 T423 L437 L439 L441 N454 T455	I417-F444 HydrophobicContact CB-CD1 3.92Å; I417-F444 HydrophobicContact CB-CE1 4.19Å; I417-F444 HydrophobicContact CG1-CE1 4.38Å; I417-F444 HydrophobicContact CG2-CD1 4Å; I417-F444 HydrophobicContact CG2-CE1 4.1Å; I417-F444 CarbonylContact O-C 3.28Å; I417-F444 WeakPolarHBondContact O-CA 3.41Å; D419-F444 HydrophobicContact CB-CD1 4.2Å; T423-F444 HydrophobicContact CG2-CD2 4.33Å; T423-F444 HydrophobicContact CG2-CE1 4.37Å; T423-F444 HydrophobicContact CG2-CE2 3.99Å; T423-F444 HydrophobicContact CG2-CZ 4.01Å; L437-F444 HydrophobicContact CB-CZ 4.21Å; L437-F444 HydrophobicContact CD1-CE1 3.67Å; L437-F444 HydrophobicContact CD1-CZ 3.93Å; L439-F444 HydrophobicContact CB-CE2 4.21Å; L439-F444 HydrophobicContact CB-CZ 4.21Å; L439-F444 HydrophobicContact CD1-CZ 4.29Å; L441-F444 HydrophobicContact CD2-CD2 4.21Å; L441-F444 HydrophobicContact CD2-CE2 4.09Å; L441-F444 WeakPolarHBondContact O-CD2 3.49Å; L441-F444 PolarHBondContact O-N 2.98Å; F444-N454 HydrophobicContact CB-CB 4.1Å; F444-N454 WeakPolarHBondContact O-CB 3.3Å; F444-T455 PolarHBondContact O-N 3.38Å
445	Y	98.3	Very high	95.2	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	105.8	-170.5	-87	-131.2	0	0	0	109.3	Y394 R416 I417 D419 Q443 T455 L457 Y650 Q654	Y394-Y445 HydrophobicContact CE1-CD1 4.25Å; Y394-Y445 HydrophobicContact CE1-CE1 4.03Å; R416-Y445 HydrophobicContact CB-CD2 4.36Å; R416-Y445 HydrophobicContact CB-CE2 4.21Å; R416-Y445 VanDerWaalsContact CD-CE2 3.48Å; R416-Y445 WeakPolarHBondContact CD-OH 3.05Å; R416-Y445 HydrophobicContact CG-CE2 4.27Å; R416-Y445 PolarHBondContact NE-OH 3.37Å; I417-Y445 PolarHBondContact O-N 2.97Å; D419-Y445 PolarHBondContact N-O 3.35Å; Q443-Y445 WeakPolarHBondContact O-CD2 3.13Å; Y445-T455 CarbonylContact C-O 3.6Å; Y445-T455 WeakPolarHBondContact CA-O 2.83Å; Y445-T455 HydrophobicContact CD1-CG2 4.25Å; Y445-T455 HydrophobicContact CD2-CG2 3.99Å; Y445-T455 HydrophobicContact CE1-CG2 3.88Å; Y445-T455 HydrophobicContact CE2-CG2 3.59Å; Y445-T455 HydrophobicContact CG-CG2 4.29Å; Y445-L457 HydrophobicContact CD1-CB 3.73Å; Y445-L457 HydrophobicContact CD1-CD1 3.99Å; Y445-L457 HydrophobicContact CD1-CD2 4.05Å; Y445-L457 HydrophobicContact CD1-CG 4.11Å; Y445-L457 HydrophobicContact CE1-CD1 4.36Å; Y445-L457 HydrophobicContact CG-CB 4.28Å; Y445-Y650 HydrophobicContact CE1-CD2 4.17Å; Y445-Q654 PolarHBondContact OH-OE1 3.19Å
446	T	97.9	Very high	95.6	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	162.3	-169.1	66.1	0	0	0	0	113.8	Q345 D419 F448 N454 T455 L457 G458	Q345-T446 PolarHBondContact NE2-O 3.3Å; D419-T446 WeakPolarHBondContact O-CA 3.43Å; T446-F448 WeakPolarHBondContact CB-O 3.24Å; T446-F448 PolarHBondContact OG1-O 3.3Å; T446-N454 HydrophobicContact CG2-CB 3.74Å; T446-T455 PolarHBondContact N-O 2.72Å; T446-L457 PolarHBondContact O-N 2.98Å; T446-L457 VanDerWaalsContact O-N 3.12Å; T446-G458 PolarHBondContact O-N 3.05Å; T446-G458 VanDerWaalsContact O-N 3.08Å
447	F	94.2	Very high	96	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.018	7%	0.073	C	C	.	.	S	Bend	trans	-80.8	-31.6	179.3	-152	-144	0	0	0	112.7	G341 Q345 T420 F456 G458 F459 P552	G341-F447 WeakPolarHBondContact O-CE2 3.46Å; G341-F447 WeakPolarHBondContact O-CZ 3.5Å; Q345-F447 HydrophobicContact CB-CD2 4.11Å; Q345-F447 HydrophobicContact CB-CE2 3.82Å; Q345-F447 HydrophobicContact CG-CD2 4.37Å; T420-F447 HydrophobicContact CG2-CB 3.77Å; T420-F447 HydrophobicContact CG2-CD1 3.88Å; T420-F447 HydrophobicContact CG2-CG 4.04Å; T420-F447 PolarHBondContact O-N 3.49Å; F447-F456 WeakPolarHBondContact O-CE2 3.46Å; F447-G458 WeakPolarHBondContact O-CA 3.28Å; F447-F459 HydrophobicContact CD1-CD1 4.42Å; F447-F459 HydrophobicContact CD1-CE1 4.06Å; F447-F459 AromaticContact CD2-CD1 3.38Å; F447-F459 HydrophobicContact CD2-CD1 3.38Å; F447-F459 AromaticContact CD2-CE1 3.84Å; F447-F459 HydrophobicContact CD2-CE1 3.84Å; F447-F459 HydrophobicContact CD2-CG 4.33Å; F447-F459 HydrophobicContact CE1-CD1 4.22Å; F447-F459 AromaticContact CE1-CE1 3.87Å; F447-F459 HydrophobicContact CE1-CE1 3.87Å; F447-F459 HydrophobicContact CE2-CB 4.04Å; F447-F459 AromaticContact CE2-CD1 3.09Å; F447-F459 HydrophobicContact CE2-CD1 3.09Å; F447-F459 AromaticContact CE2-CE1 3.62Å; F447-F459 HydrophobicContact CE2-CE1 3.62Å; F447-F459 AromaticContact CE2-CG 3.7Å; F447-F459 HydrophobicContact CE2-CG 3.7Å; F447-F459 HydrophobicContact CG-CD1 4.04Å; F447-F459 HydrophobicContact CG-CE1 4.04Å; F447-F459 AromaticContact CZ-CD1 3.58Å; F447-F459 HydrophobicContact CZ-CD1 3.58Å; F447-F459 AromaticContact CZ-CE1 3.64Å; F447-F459 HydrophobicContact CZ-CE1 3.64Å; F447-F459 HydrophobicContact CZ-CG 4.15Å; F447-F459 HydrophobicContact CZ-CZ 4.3Å; F447-P552 HydrophobicContact CE1-CG 4.49Å; F447-P552 HydrophobicContact CZ-CB 4.18Å; F447-P552 HydrophobicContact CZ-CG 4.22Å
448	F	95.7	Very high	96.2	Very high	1 Å²	1	13.1 Å²	13.1	0%	0.004	7%	0.069	C	C	.	.	S	Bend	trans	-134.3	159.9	173.9	-66	-87.6	0	0	0	109.8	T446 H450 F459 E550 L555 H594 Y596 Y638	T446-F448 WeakPolarHBondContact CB-O 3.24Å; T446-F448 PolarHBondContact OG1-O 3.3Å; F448-H450 PolarHBondContact O-N 2.96Å; F448-F459 HydrophobicContact CE1-CE1 4.08Å; F448-F459 HydrophobicContact CE1-CZ 4.19Å; F448-F459 HydrophobicContact CE2-CE1 4.01Å; F448-F459 HydrophobicContact CE2-CZ 4.49Å; F448-F459 AromaticContact CZ-CE1 3.62Å; F448-F459 HydrophobicContact CZ-CE1 3.62Å; F448-F459 AromaticContact CZ-CZ 3.74Å; F448-F459 HydrophobicContact CZ-CZ 3.74Å; F448-E550 HydrophobicContact CD2-CB 4.04Å; F448-E550 HydrophobicContact CE2-CB 4.03Å; F448-E550 WeakPolarHBondContact CE2-O 3.36Å; F448-L555 HydrophobicContact CE1-CD1 3.56Å; F448-L555 HydrophobicContact CE1-CG 4.34Å; F448-L555 HydrophobicContact CZ-CD1 4.18Å; F448-H594 AromaticContact CD1-CE1 3.9Å; F448-H594 AromaticContact CE1-CE1 3.25Å; F448-H594 WeakPolarHBondContact CE1-CE1 3.25Å; F448-H594 AromaticContact CE1-NE2 3.61Å; F448-H594 AromaticContact CZ-CE1 3.37Å; F448-H594 WeakPolarHBondContact CZ-CE1 3.22Å; F448-H594 AromaticContact CZ-NE2 3.27Å; F448-H594 VanDerWaalsContact CZ-NE2 3.27Å; F448-H594 WeakPolarHBondContact CZ-NE2 3.34Å; F448-Y596 AromaticContact CD1-CD1 3.93Å; F448-Y596 HydrophobicContact CD1-CD1 3.93Å; F448-Y596 HydrophobicContact CD1-CD2 4.07Å; F448-Y596 AromaticContact CD1-CG 3.58Å; F448-Y596 HydrophobicContact CD1-CG 3.58Å; F448-Y596 HydrophobicContact CE1-CD1 4.06Å; F448-Y596 HydrophobicContact CE1-CG 4.17Å; F448-Y638 HydrophobicContact CD1-CE1 4.29Å; F448-Y638 AromaticContact CD1-CZ 3.85Å; F448-Y638 WeakPolarHBondContact CD1-OH 3.36Å; F448-Y638 HydrophobicContact CE1-CE1 4.06Å; F448-Y638 AromaticContact CE1-CZ 3.93Å
449	P	94.3	Very high	96.3	Very high	24 Å²	24	9.1 Å²	9.1	16%	0.156	5%	0.051	C	C	.	.	S	Bend	trans	-79.3	52.2	-178.8	36.2	-40.8	0	0	0	113	F456 Y596 I849	P449-F456 HydrophobicContact CB-CB 4.03Å; P449-F456 HydrophobicContact CB-CD1 4.04Å; P449-F456 HydrophobicContact CB-CD2 4.25Å; P449-F456 HydrophobicContact CB-CG 3.85Å; P449-Y596 HydrophobicContact CG-CD2 3.85Å; P449-Y596 HydrophobicContact CG-CE2 3.89Å; P449-I849 HydrophobicContact CB-CB 4.45Å; P449-I849 HydrophobicContact CB-CD1 3.81Å; P449-I849 HydrophobicContact CB-CG1 4.38Å; P449-I849 HydrophobicContact CB-CG2 3.4Å; P449-I849 VanDerWaalsContact CB-CG2 3.4Å; P449-I849 HydrophobicContact CG-CD1 4.04Å; P449-I849 HydrophobicContact CG-CG2 3.79Å
450	H	93.5	Very high	96.4	Very high	33 Å²	33	9.1 Å²	9.1	15%	0.153	5%	0.051	C	C	.	.			trans	-98.5	-9.6	-175.7	53.7	47.3	0	0	0	114.5	T420 F421 F448 E550 R588	T420-H450 PolarHBondContact O-CE1 2.81Å; T420-H450 PolarHBondContact O-NE2 3.08Å; T420-H450 VanDerWaalsContact O-NE2 3.17Å; F421-H450 PolarHBondContact O-CE1 2.79Å; F421-H450 PolarHBondContact O-ND1 2.83Å; F448-H450 PolarHBondContact O-N 2.96Å; H450-E550 IonicContact CD2-OE1 3.96Å; H450-E550 IonicContact CD2-OE2 2.83Å; H450-R588 PolarHBondContact CD2-NH2 3.23Å; H450-R588 VanDerWaalsContact CD2-NH2 3.32Å; H450-R588 VanDerWaalsContact CG-CZ 3.4Å; H450-R588 WeakPolarHBondContact O-CD 2.81Å
451	S	95	Very high	96.4	Very high	9 Å²	9	8.1 Å²	8.1	6%	0.063	5%	0.046	C	C	.	.			trans	-122.3	96.1	-178.4	-55.7	0	0	0	0	109.2	F421 D453 N454	F421-S451 PolarHBondContact O-OG 3.48Å; S451-D453 PolarHBondContact O-N 3.12Å; S451-N454 WeakPolarHBondContact CB-OD1 3.34Å; S451-N454 PolarHBondContact O-N 3.21Å
452	P	94.4	Very high	96.2	Very high	40 Å²	40	7.7 Å²	7.7	26%	0.26	4%	0.043	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.2	-169.8	25.2	-34.4	0	0	0	114	N454 A711 C770 C823 T824	P452-N454 VanDerWaalsContact C-N 3.26Å; P452-A711 HydrophobicContact CG-CB 3.97Å; P452-C770 HydrophobicContact CB-CB 4.49Å; P452-C823 HydrophobicContact CB-CB 4.11Å; P452-C823 HydrophobicContact CG-CB 3.9Å; P452-T824 HydrophobicContact CG-CG2 3.65Å
453	D	96.1	Very high	95.9	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.021	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.9	173.9	-67.8	-67.5	0	0	0	113.6	L441 Q442 S451 C823	L441-D453 CarbonylContact C-O 3.57Å; L441-D453 HydrophobicContact CB-CB 4.04Å; L441-D453 WeakPolarHBondContact CB-O 3.38Å; L441-D453 HydrophobicContact CD1-CB 3.77Å; L441-D453 HydrophobicContact CG-CB 4.47Å; Q442-D453 PolarHBondContact N-O 2.82Å; Q442-D453 VanDerWaalsContact NE2-C 3.26Å; Q442-D453 PolarHBondContact NE2-O 3.43Å; S451-D453 PolarHBondContact O-N 3.12Å; D453-C823 WeakPolarHBondContact OD1-CB 3.17Å; D453-C823 PolarHBondContact OD1-N 2.91Å; D453-C823 PolarHBondContact OD1-SG 3.07Å; D453-C823 VanDerWaalsContact OD1-SG 3.37Å; D453-C823 WeakPolarHBondContact OD2-CB 3.06Å; D453-C823 PolarHBondContact OD2-N 3.29Å; D453-C823 VanDerWaalsContact OD2-N 3.1Å
454	N	97.8	Very high	95.1	Very high	10 Å²	10	10.6 Å²	10.6	5%	0.053	6%	0.058	C	C	.	.	S	Bend	trans	-104.8	168.5	-177.9	-55.4	148.2	0	0	0	111.6	G422 T423 L441 F444 T446 S451 P452	G422-N454 VanDerWaalsContact CA-OD1 3.3Å; G422-N454 WeakPolarHBondContact CA-OD1 3.49Å; T423-N454 PolarHBondContact N-OD1 3.07Å; T423-N454 PolarHBondContact O-ND2 3.24Å; T423-N454 PolarHBondContact O-OD1 3.01Å; L441-N454 WeakPolarHBondContact O-CA 3.21Å; L441-N454 PolarHBondContact O-ND2 2.92Å; L441-N454 VanDerWaalsContact O-ND2 3.08Å; F444-N454 HydrophobicContact CB-CB 4.1Å; F444-N454 WeakPolarHBondContact O-CB 3.3Å; T446-N454 HydrophobicContact CG2-CB 3.74Å; S451-N454 WeakPolarHBondContact CB-OD1 3.34Å; S451-N454 PolarHBondContact O-N 3.21Å; P452-N454 VanDerWaalsContact C-N 3.26Å
455	T	97.8	Very high	93.8	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.018	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.3	173.8	-72.1	0	0	0	0	109.9	Q442 F444 Y445 T446 L457 Y650 Q654	Q442-T455 PolarHBondContact O-OG1 3.28Å; Q442-T455 PolarHBondContact OE1-OG1 2.97Å; F444-T455 PolarHBondContact O-N 3.38Å; Y445-T455 CarbonylContact C-O 3.6Å; Y445-T455 WeakPolarHBondContact CA-O 2.83Å; Y445-T455 HydrophobicContact CD1-CG2 4.25Å; Y445-T455 HydrophobicContact CD2-CG2 3.99Å; Y445-T455 HydrophobicContact CE1-CG2 3.88Å; Y445-T455 HydrophobicContact CE2-CG2 3.59Å; Y445-T455 HydrophobicContact CG-CG2 4.29Å; T446-T455 PolarHBondContact N-O 2.72Å; T455-L457 PolarHBondContact O-N 2.71Å; T455-Y650 HydrophobicContact CG2-CD1 4.39Å; T455-Y650 HydrophobicContact CG2-CD2 4.16Å; T455-Y650 HydrophobicContact CG2-CE1 3.81Å; T455-Y650 HydrophobicContact CG2-CE2 3.53Å; T455-Y650 WeakPolarHBondContact CG2-OH 3.43Å; T455-Q654 PolarHBondContact OG1-NE2 2.9Å
456	F	97.6	Very high	92.1	Very high	9 Å²	9	18.4 Å²	18.4	4%	0.039	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	114.2	174.4	163.3	-126	0	0	0	110.7	F447 P449 E637 Y638 R646 Y650 I849 S850	F447-F456 WeakPolarHBondContact O-CE2 3.46Å; P449-F456 HydrophobicContact CB-CB 4.03Å; P449-F456 HydrophobicContact CB-CD1 4.04Å; P449-F456 HydrophobicContact CB-CD2 4.25Å; P449-F456 HydrophobicContact CB-CG 3.85Å; F456-E637 HydrophobicContact CE1-CB 4.12Å; F456-E637 HydrophobicContact CE1-CG 4.32Å; F456-E637 WeakPolarHBondContact CE1-OE2 3.37Å; F456-Y638 HydrophobicContact CE2-CE1 4.41Å; F456-Y638 HydrophobicContact CZ-CE1 4.2Å; F456-Y638 HydrophobicContact CZ-CE2 4.26Å; F456-Y638 AromaticContact CZ-CZ 3.74Å; F456-Y638 WeakPolarHBondContact CZ-OH 3.49Å; F456-R646 VanDerWaalsContact O-CD 3.26Å; F456-R646 WeakPolarHBondContact O-CD 3.46Å; F456-Y650 WeakPolarHBondContact O-CE2 3.17Å; F456-Y650 PolarHBondContact O-OH 2.78Å; F456-I849 HydrophobicContact CD1-CG2 3.61Å; F456-I849 HydrophobicContact CE1-CG2 4.03Å; F456-I849 HydrophobicContact CG-CG2 4.49Å; F456-S850 WeakPolarHBondContact CB-OG 3.28Å; F456-S850 WeakPolarHBondContact CD1-OG 3.37Å; F456-S850 PolarHBondContact O-OG 3.49Å
457	L	98	Very high	90.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.154	C	C	.	.			trans	-90.6	-47.2	173.9	-179.4	59.9	0	0	0	111.8	Q345 L349 L418 Y445 T446 T455 F643 R646 L647	Q345-L457 HydrophobicContact CG-CD2 3.98Å; L349-L457 HydrophobicContact CD1-CD1 4.41Å; L349-L457 HydrophobicContact CD1-CD2 4.48Å; L349-L457 HydrophobicContact CD2-CD2 4.35Å; L418-L457 HydrophobicContact CD1-CD2 4.33Å; L418-L457 HydrophobicContact CD2-CD2 4.11Å; L418-L457 HydrophobicContact CG-CD2 4.08Å; Y445-L457 HydrophobicContact CD1-CB 3.73Å; Y445-L457 HydrophobicContact CD1-CD1 3.99Å; Y445-L457 HydrophobicContact CD1-CD2 4.05Å; Y445-L457 HydrophobicContact CD1-CG 4.11Å; Y445-L457 HydrophobicContact CE1-CD1 4.36Å; Y445-L457 HydrophobicContact CG-CB 4.28Å; T446-L457 PolarHBondContact O-N 2.98Å; T446-L457 VanDerWaalsContact O-N 3.12Å; T455-L457 PolarHBondContact O-N 2.71Å; L457-F643 HydrophobicContact CD1-CE2 4.29Å; L457-F643 HydrophobicContact CD1-CZ 3.85Å; L457-F643 HydrophobicContact CG-CE2 4.31Å; L457-F643 HydrophobicContact CG-CZ 4.15Å; L457-F643 WeakPolarHBondContact O-CE2 3.23Å; L457-R646 PolarHBondContact O-NE 3.25Å; L457-R646 PolarHBondContact O-NH2 3.25Å; L457-L647 HydrophobicContact CD1-CD1 4.26Å
458	G	97.1	Very high	88.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.			trans	72.2	-156.6	-176.1	0	0	0	0	0	114	Q345 T446 F447	Q345-G458 WeakPolarHBondContact CG-O 3.26Å; Q345-G458 PolarHBondContact NE2-O 2.88Å; T446-G458 PolarHBondContact O-N 3.05Å; T446-G458 VanDerWaalsContact O-N 3.08Å; F447-G458 WeakPolarHBondContact O-CA 3.28Å
459	F	97.4	Very high	86.4	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.			trans	-160.9	-178.7	178.1	56.9	-84.7	0	0	0	108.6	V344 F447 F448 P552 L555 Y638	V344-F459 HydrophobicContact CG1-CB 3.96Å; V344-F459 HydrophobicContact CG1-CD2 4.04Å; V344-F459 HydrophobicContact CG1-CG 4.21Å; F447-F459 HydrophobicContact CD1-CD1 4.42Å; F447-F459 HydrophobicContact CD1-CE1 4.06Å; F447-F459 AromaticContact CD2-CD1 3.38Å; F447-F459 HydrophobicContact CD2-CD1 3.38Å; F447-F459 AromaticContact CD2-CE1 3.84Å; F447-F459 HydrophobicContact CD2-CE1 3.84Å; F447-F459 HydrophobicContact CD2-CG 4.33Å; F447-F459 HydrophobicContact CE1-CD1 4.22Å; F447-F459 AromaticContact CE1-CE1 3.87Å; F447-F459 HydrophobicContact CE1-CE1 3.87Å; F447-F459 HydrophobicContact CE2-CB 4.04Å; F447-F459 AromaticContact CE2-CD1 3.09Å; F447-F459 HydrophobicContact CE2-CD1 3.09Å; F447-F459 AromaticContact CE2-CE1 3.62Å; F447-F459 HydrophobicContact CE2-CE1 3.62Å; F447-F459 AromaticContact CE2-CG 3.7Å; F447-F459 HydrophobicContact CE2-CG 3.7Å; F447-F459 HydrophobicContact CG-CD1 4.04Å; F447-F459 HydrophobicContact CG-CE1 4.04Å; F447-F459 AromaticContact CZ-CD1 3.58Å; F447-F459 HydrophobicContact CZ-CD1 3.58Å; F447-F459 AromaticContact CZ-CE1 3.64Å; F447-F459 HydrophobicContact CZ-CE1 3.64Å; F447-F459 HydrophobicContact CZ-CG 4.15Å; F447-F459 HydrophobicContact CZ-CZ 4.3Å; F448-F459 HydrophobicContact CE1-CE1 4.08Å; F448-F459 HydrophobicContact CE1-CZ 4.19Å; F448-F459 HydrophobicContact CE2-CE1 4.01Å; F448-F459 HydrophobicContact CE2-CZ 4.49Å; F448-F459 AromaticContact CZ-CE1 3.62Å; F448-F459 HydrophobicContact CZ-CE1 3.62Å; F448-F459 AromaticContact CZ-CZ 3.74Å; F448-F459 HydrophobicContact CZ-CZ 3.74Å; F459-P552 HydrophobicContact CD2-CB 4.1Å; F459-P552 HydrophobicContact CE1-CB 4.44Å; F459-P552 HydrophobicContact CE2-CB 3.43Å; F459-P552 VanDerWaalsContact CE2-CB 3.43Å; F459-P552 HydrophobicContact CZ-CB 3.63Å; F459-L555 HydrophobicContact CZ-CD1 3.98Å; F459-Y638 HydrophobicContact CD1-CD1 4.26Å; F459-Y638 HydrophobicContact CD1-CE1 4.01Å; F459-Y638 HydrophobicContact CD2-CD1 4.29Å; F459-Y638 HydrophobicContact CE1-CD1 4.08Å; F459-Y638 AromaticContact CE1-CE1 3.65Å; F459-Y638 HydrophobicContact CE1-CE1 3.65Å; F459-Y638 HydrophobicContact CE2-CD1 4.08Å; F459-Y638 HydrophobicContact CE2-CE1 4.44Å; F459-Y638 HydrophobicContact CG-CD1 4.37Å; F459-Y638 AromaticContact CZ-CD1 3.98Å; F459-Y638 HydrophobicContact CZ-CD1 3.98Å; F459-Y638 AromaticContact CZ-CE1 3.88Å; F459-Y638 HydrophobicContact CZ-CE1 3.88Å; F459-Y638 WeakPolarHBondContact O-CA 3.44Å; F459-Y638 WeakPolarHBondContact O-CD1 3.48Å
460	V	97.2	Very high	84.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.			trans	-104.4	126.3	175.7	-179.1	0	0	0	0	110.6	R249 M253 W257 D348 E462 Y638 P640 F643	R249-V460 PolarHBondContact NH2-O 3.2Å; M253-V460 HydrophobicContact CE-CB 3.86Å; M253-V460 HydrophobicContact CE-CG1 3.43Å; M253-V460 VanDerWaalsContact CE-CG1 3.43Å; W257-V460 HydrophobicContact CH2-CG2 3.59Å; W257-V460 HydrophobicContact CZ2-CB 4.42Å; W257-V460 HydrophobicContact CZ2-CG2 3.59Å; W257-V460 HydrophobicContact CZ3-CG2 4.43Å; D348-V460 HydrophobicContact CB-CG2 4.45Å; D348-V460 PolarHBondContact OD2-N 3.4Å; V460-E462 PolarHBondContact O-N 2.86Å; V460-Y638 WeakPolarHBondContact CA-O 3.39Å; V460-P640 HydrophobicContact CG1-CG 3.8Å; V460-F643 HydrophobicContact CG2-CB 3.95Å; V460-F643 HydrophobicContact CG2-CD2 4.3Å; V460-F643 HydrophobicContact CG2-CG 4.13Å
461	A	94.8	Very high	82.6	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.008	25%	0.245	C	C	.	.			trans	-76.7	115.6	171.7	0	0	0	0	0	110.1	E556 A559 R634 Y638	A461-E556 HydrophobicContact CB-CG 4.3Å; A461-A559 HydrophobicContact CB-CB 4.26Å; A461-R634 HydrophobicContact CB-CG 4.23Å; A461-R634 WeakPolarHBondContact O-CD 3.48Å; A461-R634 PolarHBondContact O-NH1 3.04Å; A461-Y638 PolarHBondContact N-O 2.88Å
462	E	92.4	Very high	80.7	Confident	7 Å²	7	51.3 Å²	51.3	3%	0.033	27%	0.268	C	S	.	.			trans	-69.4	128.8	-177.3	-172.7	168	175.4	0	0	111.1	R249 R252 M253 V460 L533 N560	R249-E462 IonicContact CZ-OE2 3.59Å; R249-E462 IonicContact NH1-OE2 3.36Å; R249-E462 PolarHBondContact NH1-OE2 2.77Å; R252-E462 IonicContact CZ-OE1 3.4Å; R252-E462 IonicContact CZ-OE2 3.93Å; R252-E462 IonicContact NE-OE1 2.72Å; R252-E462 PolarHBondContact NE-OE1 3.09Å; R252-E462 IonicContact NH2-OE1 3.66Å; R252-E462 PolarHBondContact NH2-OE1 2.77Å; R252-E462 VanDerWaalsContact NH2-OE1 3.09Å; R252-E462 IonicContact NH2-OE2 3.28Å; R252-E462 PolarHBondContact NH2-OE2 3.18Å; M253-E462 HydrophobicContact CE-CB 4.13Å; M253-E462 HydrophobicContact CE-CG 4.42Å; M253-E462 HydrophobicContact CG-CG 3.88Å; M253-E462 HydrophobicContact SD-CB 3.98Å; M253-E462 HydrophobicContact SD-CG 3.93Å; V460-E462 PolarHBondContact O-N 2.86Å; E462-L533 WeakPolarHBondContact OE1-CD1 3.43Å; E462-N560 PolarHBondContact O-ND2 3.38Å
463	I	88.1	Confident	78.8	Confident	58 Å²	58	59.4 Å²	59.4	30%	0.297	29%	0.293	S	S	.	.			trans	-110.8	134	175.2	-64	-179.9	0	0	0	108.6	A559 R634	I463-A559 HydrophobicContact CD1-CB 4.35Å; I463-A559 HydrophobicContact CG1-CB 3.91Å; I463-R634 HydrophobicContact CD1-CB 4.32Å; I463-R634 VanDerWaalsContact CD1-CZ 3.49Å
464	L	80.9	Confident	76.7	Confident	16 Å²	16	65.3 Å²	65.3	8%	0.084	34%	0.335	C	S	.	.			trans	-75.3	140	177.4	-73.3	164	0	0	0	111.7	L533 M536 N560	L464-L533 HydrophobicContact CD1-CB 3.89Å; L464-L533 WeakPolarHBondContact CD1-O 3.28Å; L464-L533 HydrophobicContact CD2-CB 3.42Å; L464-L533 VanDerWaalsContact CD2-CB 3.42Å; L464-L533 HydrophobicContact CD2-CD1 4Å; L464-L533 HydrophobicContact CD2-CG 4.18Å; L464-L533 HydrophobicContact CG-CB 4.07Å; L464-M536 HydrophobicContact CD1-CE 4.3Å; L464-N560 WeakPolarHBondContact CB-OD1 3.09Å; L464-N560 PolarHBondContact N-OD1 3.04Å
465	A	71.3	Confident	74.8	Confident	55 Å²	55	70.4 Å²	70.4	46%	0.455	37%	0.371	S	S	.	.			trans	-56.4	140.4	171.8	0	0	0	0	0	110.4	K467 Y468	A465-K467 PolarHBondContact O-N 2.78Å; A465-Y468 PolarHBondContact O-N 3.49Å
466	P	63.5	Low	73.8	Confident	110 Å²	110	73.5 Å²	73.5	71%	0.714	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-54.6	-22.3	-174.3	-28	33.5	0	0	0	115.7	Y468 K469	P466-Y468 PolarHBondContact O-N 2.93Å; P466-K469 PolarHBondContact O-N 2.71Å; P466-K469 VanDerWaalsContact O-N 3.17Å
467	K	58.9	Low	73.3	Confident	198 Å²	198	77.9 Å²	77.9	86%	0.861	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-55.9	-18.2	-178.8	-68	-173.9	177.8	-178	0	114.4	A465	A465-K467 PolarHBondContact O-N 2.78Å
468	Y	55.6	Low	73	Confident	90 Å²	90	79.4 Å²	79.4	35%	0.353	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-104.3	3.9	-175.4	-60.3	-79.6	0	0	0	114.7	A465 P466 V470 Q530 E534 S537	A465-Y468 PolarHBondContact O-N 3.49Å; P466-Y468 PolarHBondContact O-N 2.93Å; Y468-V470 PolarHBondContact O-N 2.89Å; Y468-V470 VanDerWaalsContact O-N 3.12Å; Y468-Q530 PolarHBondContact OH-NE2 3.33Å; Y468-E534 HydrophobicContact CD1-CG 3.8Å; Y468-E534 HydrophobicContact CE1-CG 4.02Å; Y468-E534 VanDerWaalsContact CE1-OE1 3.25Å; Y468-E534 WeakPolarHBondContact CE1-OE1 3.36Å; Y468-E534 HydrophobicContact CG-CG 4.46Å; Y468-S537 PolarHBondContact O-OG 2.99Å
469	K	54	Low	72.8	Confident	130 Å²	130	80.4 Å²	80.4	57%	0.565	43%	0.428	S	S	*	.			trans	-78.7	96.8	175.1	-70.6	-167.4	176.1	-173	0	109.4	P466	P466-K469 PolarHBondContact O-N 2.71Å; P466-K469 VanDerWaalsContact O-N 3.17Å
470	V	54.3	Low	72.7	Confident	97 Å²	97	80.4 Å²	80.4	59%	0.588	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-71.5	132.7	178.5	-176.7	0	0	0	0	109.4	Y468 K538	Y468-V470 PolarHBondContact O-N 2.89Å; Y468-V470 VanDerWaalsContact O-N 3.12Å; V470-K538 HydrophobicContact CG2-CG 4.45Å
471	S	52.2	Low	72.7	Confident	103 Å²	103	80.5 Å²	80.5	72%	0.72	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-63.1	140.9	174.6	58.2	0	0	0	0	110.8	R473	S471-R473 PolarHBondContact O-N 2.94Å
472	R	54.9	Low	72.8	Confident	146 Å²	146	80.6 Å²	80.6	55%	0.551	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-49.3	123.6	177.3	-85	179.1	163.5	136.4	-2.3	110.3	S474	R472-S474 PolarHBondContact O-N 3.01Å
473	R	54.7	Low	72.9	Confident	210 Å²	210	81.3 Å²	81.3	79%	0.792	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-72.5	123	158.9	-74.5	-175.8	175.2	-179.7	-2.4	107.5	S471 S475	S471-R473 PolarHBondContact O-N 2.94Å; R473-S475 PolarHBondContact O-N 2.77Å
474	S	53.4	Low	73.1	Confident	128 Å²	128	78.7 Å²	78.7	90%	0.895	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	16.5	-169	78.2	0	0	0	0	114.9	R472	R472-S474 PolarHBondContact O-N 3.01Å
475	S	56.6	Low	73.3	Confident	117 Å²	117	80.5 Å²	80.5	82%	0.818	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.9	4.3	-173	65.1	0	0	0	0	116.1	R473	R473-S475 PolarHBondContact O-N 2.77Å
476	S	76.9	Confident	74.1	Confident	67 Å²	67	80 Å²	80	47%	0.469	42%	0.415	S	S	.	.	S	Bend	trans	-119.3	158.3	178.7	64.6	0	0	0	0	112
477	K	88.1	Confident	75.4	Confident	102 Å²	102	75.7 Å²	75.7	44%	0.443	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-52.7	144	168.8	-71.9	179.4	174.7	-178.5	0	109.7	S501 D502	K477-S501 PolarHBondContact NZ-O 3.02Å; K477-D502 WeakPolarHBondContact CE-O 3.1Å; K477-D502 PolarHBondContact NZ-O 3.16Å
478	P	90.5	Very high	76.9	Confident	33 Å²	33	72.1 Å²	72.1	21%	0.214	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-57.7	146.5	170	17.4	-24.5	0	0	0	110.8	F504 E505 L625	P478-F504 HydrophobicContact CB-CD1 3.93Å; P478-F504 HydrophobicContact CB-CE1 4.16Å; P478-F504 HydrophobicContact CG-CD1 3.58Å; P478-F504 HydrophobicContact CG-CE1 3.69Å; P478-F504 CarbonylContact O-C 3.55Å; P478-F504 VanDerWaalsContact O-CA 3.25Å; P478-F504 WeakPolarHBondContact O-CA 3.05Å; P478-F504 WeakPolarHBondContact O-CB 3.43Å; P478-E505 PolarHBondContact O-N 3.29Å; P478-L625 HydrophobicContact CG-CD2 3.95Å
479	V	93	Very high	78.7	Confident	21 Å²	21	68.3 Å²	68.3	13%	0.127	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.5	-179.9	174.2	0	0	0	0	109.3	E505 A539 Q540	V479-E505 WeakPolarHBondContact CA-O 3.44Å; V479-A539 HydrophobicContact CG1-CB 4.02Å; V479-A539 CarbonylContact O-C 3.37Å; V479-A539 WeakPolarHBondContact O-CA 3.47Å; V479-Q540 PolarHBondContact O-N 3.4Å; V479-Q540 PolarHBondContact O-OE1 2.91Å; V479-Q540 VanDerWaalsContact O-OE1 3.09Å
480	A	95.6	Very high	80.6	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.1	172.3	0	0	0	0	0	110.3	F504 E505 H507 I541 I543	A480-F504 HydrophobicContact CB-CB 3.68Å; A480-F504 HydrophobicContact CB-CD1 4.2Å; A480-F504 HydrophobicContact CB-CD2 4.4Å; A480-F504 HydrophobicContact CB-CG 3.84Å; A480-E505 PolarHBondContact N-O 2.94Å; A480-H507 PolarHBondContact O-N 2.87Å; A480-I541 CarbonylContact C-O 3.55Å; A480-I541 WeakPolarHBondContact CA-O 3.33Å; A480-I541 HydrophobicContact CB-CB 3.96Å; A480-I541 HydrophobicContact CB-CG2 4.48Å; A480-I543 HydrophobicContact CB-CD1 3.56Å; A480-I543 HydrophobicContact CB-CG1 4.01Å
481	L	96.4	Very high	82.4	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.5	178.4	-178.2	62.9	0	0	0	110.1	H507 Y532 L535 M536 A539 I541 M542 I543	L481-H507 HydrophobicContact CD1-CB 4.08Å; L481-Y532 HydrophobicContact CD2-CE2 4.26Å; L481-L535 HydrophobicContact CD1-CD2 3.79Å; L481-L535 HydrophobicContact CD1-CG 4.1Å; L481-L535 HydrophobicContact CD2-CG 4.49Å; L481-M536 HydrophobicContact CD2-CB 4.14Å; L481-M536 HydrophobicContact CD2-CG 4.4Å; L481-A539 HydrophobicContact CB-CB 3.83Å; L481-I541 PolarHBondContact N-O 3.05Å; L481-M542 CarbonylContact O-C 3.55Å; L481-M542 VanDerWaalsContact O-CA 3.29Å; L481-M542 WeakPolarHBondContact O-CA 3.27Å; L481-I543 PolarHBondContact O-N 3.39Å
482	V	97.4	Very high	84.3	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.024	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	129.3	179.8	-179.9	0	0	0	0	111.3	G484 W490 L497 I506 H507 I543 L545	V482-G484 PolarHBondContact O-N 3.27Å; V482-W490 HydrophobicContact CB-CH2 3.34Å; V482-W490 HydrophobicContact CB-CZ2 3.72Å; V482-W490 HydrophobicContact CB-CZ3 4.08Å; V482-W490 HydrophobicContact CG1-CD2 4.5Å; V482-W490 HydrophobicContact CG1-CE3 4.38Å; V482-W490 HydrophobicContact CG1-CH2 3.37Å; V482-W490 HydrophobicContact CG1-CZ2 3.47Å; V482-W490 VanDerWaalsContact CG1-CZ2 3.47Å; V482-W490 HydrophobicContact CG1-CZ3 3.85Å; V482-W490 HydrophobicContact CG2-CH2 3.59Å; V482-W490 HydrophobicContact CG2-CZ2 4.45Å; V482-W490 HydrophobicContact CG2-CZ3 3.94Å; V482-L497 HydrophobicContact CG2-CD2 3.89Å; V482-I506 HydrophobicContact CG2-CG2 3.45Å; V482-I506 VanDerWaalsContact CG2-CG2 3.45Å; V482-H507 WeakPolarHBondContact CG2-O 3.47Å; V482-H507 PolarHBondContact N-O 3.5Å; V482-I543 HydrophobicContact CG2-CB 4.3Å; V482-I543 HydrophobicContact CG2-CD1 4.1Å; V482-L545 HydrophobicContact CG1-CD1 3.56Å; V482-L545 HydrophobicContact CG1-CD2 3.71Å; V482-L545 HydrophobicContact CG1-CG 3.57Å
483	Y	95.4	Very high	86.2	Confident	21 Å²	21	57.9 Å²	57.9	8%	0.082	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	85.8	170.7	-175.9	-144.4	0	0	0	110.8	I543 P548 G551 A553 P554 Q593	Y483-I543 WeakPolarHBondContact CB-O 3.43Å; Y483-I543 PolarHBondContact N-O 2.98Å; Y483-P548 HydrophobicContact CE1-CG 3.83Å; Y483-P548 HydrophobicContact CE2-CG 3.92Å; Y483-P548 WeakPolarHBondContact OH-CG 3.43Å; Y483-G551 WeakPolarHBondContact OH-CA 3.27Å; Y483-A553 HydrophobicContact CD2-CB 4.07Å; Y483-A553 HydrophobicContact CE2-CB 3.59Å; Y483-P554 HydrophobicContact CD1-CG 3.72Å; Y483-P554 HydrophobicContact CE1-CG 3.53Å; Y483-Q593 VanDerWaalsContact CD1-NE2 3.34Å
484	G	91.4	Very high	88.1	Confident	4 Å²	4	51.3 Å²	51.3	4%	0.041	29%	0.293	C	S	.	.			trans	-170.5	107.1	176.1	0	0	0	0	0	110.2	V482 W490 V510	V482-G484 PolarHBondContact O-N 3.27Å; G484-W490 PolarHBondContact O-NE1 2.9Å; G484-V510 WeakPolarHBondContact O-CG2 3.45Å
485	K	86.3	Confident	90.1	Very high	54 Å²	54	49.1 Å²	49.1	24%	0.235	27%	0.272	C	S	.	.			trans	-95.2	-12	-168.4	73.2	-161.5	-175.6	172.1	0	114.8	G337 G338 P339 M489 N509 V510	G337-K485 WeakPolarHBondContact O-CD 3.33Å; G337-K485 WeakPolarHBondContact O-CE 3.48Å; G337-K485 PolarHBondContact O-NZ 3.13Å; G338-K485 PolarHBondContact O-NZ 2.69Å; P339-K485 VanDerWaalsContact CA-NZ 3.28Å; K485-M489 HydrophobicContact CD-CE 4.46Å; K485-M489 HydrophobicContact CG-CE 3.92Å; K485-M489 HydrophobicContact CG-SD 4.22Å; K485-M489 PolarHBondContact N-SD 3.37Å; K485-M489 VanDerWaalsContact N-SD 3.43Å; K485-N509 WeakPolarHBondContact CA-O 3.46Å; K485-V510 WeakPolarHBondContact O-CA 3.47Å
486	E	87.4	Confident	92	Very high	45 Å²	45	43.9 Å²	43.9	21%	0.21	23%	0.234	C	C	.	.	S	Bend	trans	-126.1	144.6	178.2	-65	177.7	96.3	0	0	110.5	Y488 M489 W490 D512	E486-Y488 VanDerWaalsContact C-N 3.28Å; E486-Y488 HydrophobicContact CB-CD1 3.67Å; E486-Y488 HydrophobicContact CB-CE1 3.45Å; E486-Y488 VanDerWaalsContact CB-CE1 3.45Å; E486-Y488 VanDerWaalsContact CD-CE1 3.48Å; E486-Y488 HydrophobicContact CG-CE1 4.09Å; E486-Y488 PolarHBondContact O-N 2.79Å; E486-Y488 VanDerWaalsContact OE2-CE1 3.29Å; E486-Y488 WeakPolarHBondContact OE2-CE1 3.45Å; E486-Y488 PolarHBondContact OE2-OH 3.49Å; E486-M489 HydrophobicContact CB-CE 4.03Å; E486-M489 HydrophobicContact CB-CG 4.31Å; E486-M489 HydrophobicContact CB-SD 4.43Å; E486-M489 HydrophobicContact CG-CE 4.19Å; E486-M489 VanDerWaalsContact O-CB 3.31Å; E486-M489 WeakPolarHBondContact O-CB 3.45Å; E486-M489 WeakPolarHBondContact O-CG 3.48Å; E486-M489 PolarHBondContact O-N 2.85Å; E486-M489 WeakPolarHBondContact OE2-CE 3.37Å; E486-W490 VanDerWaalsContact O-CD1 3.24Å; E486-D512 WeakPolarHBondContact CA-OD1 3.39Å
487	S	90.8	Very high	93	Very high	19 Å²	19	40.7 Å²	40.7	13%	0.133	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-52.5	-40	-174.1	61.1	0	0	0	0	114.2	M489 W490 D512	S487-M489 PolarHBondContact O-N 2.98Å; S487-W490 WeakPolarHBondContact O-CB 3.44Å; S487-W490 PolarHBondContact O-N 3.01Å; S487-W490 VanDerWaalsContact O-N 3.09Å; S487-D512 PolarHBondContact N-OD1 3.43Å; S487-D512 PolarHBondContact N-OD2 2.89Å; S487-D512 PolarHBondContact OG-OD2 3.35Å
488	Y	90.2	Very high	93.4	Very high	122 Å²	122	41.3 Å²	41.3	48%	0.478	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-64	-25.4	-178.8	75.2	-92.3	0	0	0	113.2	E486 W490 A491 F547	E486-Y488 VanDerWaalsContact C-N 3.28Å; E486-Y488 HydrophobicContact CB-CD1 3.67Å; E486-Y488 HydrophobicContact CB-CE1 3.45Å; E486-Y488 VanDerWaalsContact CB-CE1 3.45Å; E486-Y488 VanDerWaalsContact CD-CE1 3.48Å; E486-Y488 HydrophobicContact CG-CE1 4.09Å; E486-Y488 PolarHBondContact O-N 2.79Å; E486-Y488 VanDerWaalsContact OE2-CE1 3.29Å; E486-Y488 WeakPolarHBondContact OE2-CE1 3.45Å; E486-Y488 PolarHBondContact OE2-OH 3.49Å; Y488-W490 PolarHBondContact O-N 2.82Å; Y488-A491 VanDerWaalsContact O-CB 3.29Å; Y488-A491 WeakPolarHBondContact O-CB 3.29Å; Y488-A491 PolarHBondContact O-N 2.87Å; Y488-F547 HydrophobicContact CE2-CD1 4.17Å; Y488-F547 HydrophobicContact CE2-CE1 4.16Å; Y488-F547 WeakPolarHBondContact OH-CE1 3.28Å
489	M	92.9	Very high	93.7	Very high	11 Å²	11	39.8 Å²	39.8	5%	0.054	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-66	-20.4	178.4	-54.8	-178.2	178.7	0	0	111.9	K485 E486 S487 F547	K485-M489 HydrophobicContact CD-CE 4.46Å; K485-M489 HydrophobicContact CG-CE 3.92Å; K485-M489 HydrophobicContact CG-SD 4.22Å; K485-M489 PolarHBondContact N-SD 3.37Å; K485-M489 VanDerWaalsContact N-SD 3.43Å; E486-M489 HydrophobicContact CB-CE 4.03Å; E486-M489 HydrophobicContact CB-CG 4.31Å; E486-M489 HydrophobicContact CB-SD 4.43Å; E486-M489 HydrophobicContact CG-CE 4.19Å; E486-M489 VanDerWaalsContact O-CB 3.31Å; E486-M489 WeakPolarHBondContact O-CB 3.45Å; E486-M489 WeakPolarHBondContact O-CG 3.48Å; E486-M489 PolarHBondContact O-N 2.85Å; E486-M489 WeakPolarHBondContact OE2-CE 3.37Å; S487-M489 PolarHBondContact O-N 2.98Å; M489-F547 HydrophobicContact CE-CD1 3.95Å; M489-F547 HydrophobicContact CE-CE1 3.89Å; M489-F547 HydrophobicContact CG-CD1 4.04Å; M489-F547 HydrophobicContact SD-CD1 4.2Å
490	W	94.9	Very high	93.9	Very high	9 Å²	9	38.8 Å²	38.8	3%	0.034	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-90.4	-6.4	-178.6	-60.9	69.4	0	0	0	112.8	V482 G484 E486 S487 Y488 N492 K493 L497 V510 L517 V521 I523 L545	V482-W490 HydrophobicContact CB-CH2 3.34Å; V482-W490 HydrophobicContact CB-CZ2 3.72Å; V482-W490 HydrophobicContact CB-CZ3 4.08Å; V482-W490 HydrophobicContact CG1-CD2 4.5Å; V482-W490 HydrophobicContact CG1-CE3 4.38Å; V482-W490 HydrophobicContact CG1-CH2 3.37Å; V482-W490 HydrophobicContact CG1-CZ2 3.47Å; V482-W490 VanDerWaalsContact CG1-CZ2 3.47Å; V482-W490 HydrophobicContact CG1-CZ3 3.85Å; V482-W490 HydrophobicContact CG2-CH2 3.59Å; V482-W490 HydrophobicContact CG2-CZ2 4.45Å; V482-W490 HydrophobicContact CG2-CZ3 3.94Å; G484-W490 PolarHBondContact O-NE1 2.9Å; E486-W490 VanDerWaalsContact O-CD1 3.24Å; S487-W490 WeakPolarHBondContact O-CB 3.44Å; S487-W490 PolarHBondContact O-N 3.01Å; S487-W490 VanDerWaalsContact O-N 3.09Å; Y488-W490 PolarHBondContact O-N 2.82Å; W490-N492 PolarHBondContact O-N 2.95Å; W490-K493 WeakPolarHBondContact O-CB 3.26Å; W490-K493 PolarHBondContact O-N 2.89Å; W490-L497 HydrophobicContact CE3-CD1 3.52Å; W490-L497 HydrophobicContact CZ3-CD1 3.59Å; W490-V510 HydrophobicContact CZ2-CG2 3.72Å; W490-L517 HydrophobicContact CB-CD2 3.6Å; W490-L517 HydrophobicContact CD2-CD2 3.96Å; W490-L517 HydrophobicContact CE3-CD2 4.37Å; W490-L517 HydrophobicContact CG-CD2 3.61Å; W490-V521 HydrophobicContact CH2-CG1 3.97Å; W490-V521 HydrophobicContact CZ3-CG1 4Å; W490-V521 HydrophobicContact CZ3-CG2 4.33Å; W490-I523 HydrophobicContact CH2-CD1 4.14Å; W490-I523 HydrophobicContact CZ2-CD1 4.45Å; W490-L545 HydrophobicContact CD2-CD1 3.87Å; W490-L545 HydrophobicContact CE3-CD1 4.4Å; W490-L545 HydrophobicContact CG-CD1 3.95Å
491	A	92.5	Very high	93.9	Very high	56 Å²	56	40 Å²	40	46%	0.463	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	130.4	-179.4	0	0	0	0	0	111.4	Y488 K493	Y488-A491 VanDerWaalsContact O-CB 3.29Å; Y488-A491 WeakPolarHBondContact O-CB 3.29Å; Y488-A491 PolarHBondContact O-N 2.87Å; A491-K493 VanDerWaalsContact C-N 3.29Å; A491-K493 PolarHBondContact O-N 2.05Å; A491-K493 PolarHBondContact O-NZ 2.83Å
492	N	92	Very high	93.9	Very high	157 Å²	157	43.5 Å²	43.5	84%	0.84	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	39.1	-177.7	-53.8	-23.9	0	0	0	113.1	W490	W490-N492 PolarHBondContact O-N 2.95Å
493	K	94.9	Very high	93.7	Very high	35 Å²	35	45.4 Å²	45.4	15%	0.152	23%	0.229	C	C	.	.			trans	-120.9	-0.8	175.9	-54.3	-65.1	162.2	-76.2	0	113.8	W490 A491 N495 Y496 L497 L545	W490-K493 WeakPolarHBondContact O-CB 3.26Å; W490-K493 PolarHBondContact O-N 2.89Å; A491-K493 VanDerWaalsContact C-N 3.29Å; A491-K493 PolarHBondContact O-N 2.05Å; A491-K493 PolarHBondContact O-NZ 2.83Å; K493-N495 VanDerWaalsContact C-N 3.33Å; K493-N495 PolarHBondContact O-N 3.35Å; K493-Y496 PolarHBondContact O-N 2.79Å; K493-L497 WeakPolarHBondContact O-CG 3.25Å; K493-L497 PolarHBondContact O-N 3.46Å; K493-L545 HydrophobicContact CB-CD2 4.25Å; K493-L545 VanDerWaalsContact CE-O 3.32Å; K493-L545 WeakPolarHBondContact CE-O 3.03Å; K493-L545 HydrophobicContact CG-CD2 4.32Å
494	T	94.4	Very high	93.7	Very high	72 Å²	72	44.6 Å²	44.6	44%	0.442	23%	0.226	S	C	.	.	H	α-helix	trans	-58.5	-41.2	-176.6	-50.4	0	0	0	0	112.8	L497 R498 P518 F520	T494-L497 PolarHBondContact O-N 2.79Å; T494-R498 VanDerWaalsContact O-CB 3.23Å; T494-R498 WeakPolarHBondContact O-CB 3.27Å; T494-R498 PolarHBondContact O-N 2.77Å; T494-P518 HydrophobicContact CG2-CB 4.29Å; T494-P518 HydrophobicContact CG2-CG 4.06Å; T494-F520 HydrophobicContact CG2-CE1 4.31Å; T494-F520 HydrophobicContact CG2-CZ 4.44Å
495	N	94.8	Very high	93.9	Very high	82 Å²	82	47.4 Å²	47.4	44%	0.439	24%	0.239	S	C	.	.	H	α-helix	trans	-64.8	-47.4	179.8	-168.7	48.6	0	0	0	112	K493 L497 R498 I499	K493-N495 VanDerWaalsContact C-N 3.33Å; K493-N495 PolarHBondContact O-N 3.35Å; N495-L497 PolarHBondContact O-N 3.34Å; N495-R498 WeakPolarHBondContact O-CB 3.46Å; N495-R498 PolarHBondContact O-N 2.87Å; N495-R498 PolarHBondContact OD1-NE 2.99Å; N495-R498 PolarHBondContact OD1-NH2 2.84Å; N495-I499 WeakPolarHBondContact O-CG1 2.97Å; N495-I499 PolarHBondContact O-N 3Å
496	Y	97	Very high	94.4	Very high	7 Å²	7	45 Å²	45	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-56.6	-47.8	175.5	171.9	-126.5	0	0	0	111.8	K493 R498 I499 L500 I543 G544 R611 I617	K493-Y496 PolarHBondContact O-N 2.79Å; Y496-R498 PolarHBondContact O-N 2.03Å; Y496-I499 PolarHBondContact O-N 2.82Å; Y496-L500 HydrophobicContact CD2-CD1 4.27Å; Y496-L500 HydrophobicContact CE1-CD1 4.09Å; Y496-L500 HydrophobicContact CE2-CD1 3.72Å; Y496-L500 HydrophobicContact CE2-CG 4.2Å; Y496-L500 WeakPolarHBondContact O-CG 3.03Å; Y496-L500 PolarHBondContact O-N 3.48Å; Y496-I543 HydrophobicContact CE1-CG2 3.65Å; Y496-G544 WeakPolarHBondContact CE1-O 3.39Å; Y496-R611 HydrophobicContact CD1-CG 4.22Å; Y496-R611 HydrophobicContact CD2-CB 4.26Å; Y496-R611 HydrophobicContact CD2-CG 4.31Å; Y496-R611 HydrophobicContact CE1-CG 4.19Å; Y496-R611 HydrophobicContact CE2-CG 4.3Å; Y496-R611 HydrophobicContact CG-CB 4.25Å; Y496-R611 HydrophobicContact CG-CG 4.27Å; Y496-I617 HydrophobicContact CD2-CD1 3.71Å; Y496-I617 HydrophobicContact CD2-CG1 4.48Å; Y496-I617 HydrophobicContact CE2-CD1 4.03Å; Y496-I617 HydrophobicContact CE2-CG1 4.32Å
497	L	97.3	Very high	94.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.1	-34.9	177.3	-66.4	173.4	0	0	0	112.7	V482 W490 K493 T494 N495 L500 S501 I506 P518 F520 I543 L545	V482-L497 HydrophobicContact CG2-CD2 3.89Å; W490-L497 HydrophobicContact CE3-CD1 3.52Å; W490-L497 HydrophobicContact CZ3-CD1 3.59Å; K493-L497 WeakPolarHBondContact O-CG 3.25Å; K493-L497 PolarHBondContact O-N 3.46Å; T494-L497 PolarHBondContact O-N 2.79Å; N495-L497 PolarHBondContact O-N 3.34Å; L497-L500 PolarHBondContact O-N 3.43Å; L497-S501 WeakPolarHBondContact O-CB 3.05Å; L497-S501 PolarHBondContact O-N 2.83Å; L497-I506 HydrophobicContact CB-CD1 4.37Å; L497-I506 HydrophobicContact CD2-CD1 4.45Å; L497-I506 WeakPolarHBondContact O-CD1 3.45Å; L497-P518 HydrophobicContact CD1-CG 4.42Å; L497-F520 HydrophobicContact CB-CE2 4.04Å; L497-F520 HydrophobicContact CB-CZ 4.17Å; L497-I543 HydrophobicContact CD2-CD1 4.48Å; L497-I543 HydrophobicContact CD2-CG2 4.23Å; L497-L545 HydrophobicContact CD2-CD2 4.15Å
498	R	96.5	Very high	95	Very high	115 Å²	115	42.9 Å²	42.9	43%	0.434	22%	0.216	S	C	.	.	H	α-helix	trans	-62.6	-44.9	176.4	-176.7	-180	65.2	85.3	1.4	111.1	T494 N495 Y496 L500 S501 F520	T494-R498 VanDerWaalsContact O-CB 3.23Å; T494-R498 WeakPolarHBondContact O-CB 3.27Å; T494-R498 PolarHBondContact O-N 2.77Å; N495-R498 WeakPolarHBondContact O-CB 3.46Å; N495-R498 PolarHBondContact O-N 2.87Å; N495-R498 PolarHBondContact OD1-NE 2.99Å; N495-R498 PolarHBondContact OD1-NH2 2.84Å; Y496-R498 PolarHBondContact O-N 2.03Å; R498-L500 VanDerWaalsContact C-N 3.32Å; R498-L500 PolarHBondContact O-N 3.41Å; R498-S501 WeakPolarHBondContact O-CB 3.48Å; R498-S501 PolarHBondContact O-N 2.81Å; R498-S501 VanDerWaalsContact O-N 3.13Å; R498-S501 PolarHBondContact O-OG 3.04Å; R498-F520 HydrophobicContact CB-CE1 4.47Å; R498-F520 HydrophobicContact CB-CZ 4.07Å
499	I	96.7	Very high	95.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-59.3	-45.3	175.4	-64.4	158	0	0	0	110.5	N495 Y496 S501 D502 E614 I617 R618	N495-I499 WeakPolarHBondContact O-CG1 2.97Å; N495-I499 PolarHBondContact O-N 3Å; Y496-I499 PolarHBondContact O-N 2.82Å; I499-S501 VanDerWaalsContact C-N 3.27Å; I499-S501 PolarHBondContact O-N 3.43Å; I499-D502 WeakPolarHBondContact O-CB 3.34Å; I499-D502 PolarHBondContact O-N 3.17Å; I499-E614 HydrophobicContact CD1-CB 3.8Å; I499-E614 HydrophobicContact CD1-CG 3.63Å; I499-E614 HydrophobicContact CG1-CG 4.02Å; I499-E614 HydrophobicContact CG2-CG 4.3Å; I499-I617 HydrophobicContact CD1-CD1 4.43Å; I499-I617 HydrophobicContact CG2-CB 4.45Å; I499-I617 HydrophobicContact CG2-CG2 3.84Å; I499-R618 HydrophobicContact CG2-CG 4Å
500	L	97.1	Very high	95.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-29.2	177.8	-65.9	177.9	0	0	0	112.8	Y496 L497 R498 D502 Y503 F504 I506 I543 L565 I617 I621	Y496-L500 HydrophobicContact CD2-CD1 4.27Å; Y496-L500 HydrophobicContact CE1-CD1 4.09Å; Y496-L500 HydrophobicContact CE2-CD1 3.72Å; Y496-L500 HydrophobicContact CE2-CG 4.2Å; Y496-L500 WeakPolarHBondContact O-CG 3.03Å; Y496-L500 PolarHBondContact O-N 3.48Å; L497-L500 PolarHBondContact O-N 3.43Å; R498-L500 VanDerWaalsContact C-N 3.32Å; R498-L500 PolarHBondContact O-N 3.41Å; L500-D502 PolarHBondContact O-N 2.68Å; L500-Y503 PolarHBondContact O-N 3.19Å; L500-F504 HydrophobicContact CB-CD2 4.4Å; L500-F504 HydrophobicContact CD2-CE2 4.43Å; L500-F504 WeakPolarHBondContact O-CD2 3.46Å; L500-F504 PolarHBondContact O-N 3.2Å; L500-I506 HydrophobicContact CB-CD1 4.04Å; L500-I543 HydrophobicContact CD1-CD1 3.76Å; L500-I543 HydrophobicContact CD1-CG1 4.04Å; L500-I543 HydrophobicContact CD1-CG2 3.68Å; L500-L565 HydrophobicContact CD1-CD1 4.08Å; L500-L565 HydrophobicContact CD2-CD1 4.04Å; L500-I617 HydrophobicContact CD2-CG2 3.78Å; L500-I621 HydrophobicContact CD2-CD1 3.77Å; L500-I621 HydrophobicContact CD2-CG1 3.66Å
501	S	96	Very high	94.7	Very high	26 Å²	26	39.2 Å²	39.2	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-67.5	-18.7	-180	78.5	0	0	0	0	113.2	K477 L497 R498 I499 Y503	K477-S501 PolarHBondContact NZ-O 3.02Å; L497-S501 WeakPolarHBondContact O-CB 3.05Å; L497-S501 PolarHBondContact O-N 2.83Å; R498-S501 WeakPolarHBondContact O-CB 3.48Å; R498-S501 PolarHBondContact O-N 2.81Å; R498-S501 VanDerWaalsContact O-N 3.13Å; R498-S501 PolarHBondContact O-OG 3.04Å; I499-S501 VanDerWaalsContact C-N 3.27Å; I499-S501 PolarHBondContact O-N 3.43Å; S501-Y503 PolarHBondContact O-N 3.14Å
502	D	95.2	Very high	94.4	Very high	74 Å²	74	38.8 Å²	38.8	40%	0.396	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.8	171.3	-65.4	-17.4	0	0	0	110.9	K477 I499 L500 R618	K477-D502 WeakPolarHBondContact CE-O 3.1Å; K477-D502 PolarHBondContact NZ-O 3.16Å; I499-D502 WeakPolarHBondContact O-CB 3.34Å; I499-D502 PolarHBondContact O-N 3.17Å; L500-D502 PolarHBondContact O-N 2.68Å; D502-R618 IonicContact OD2-CZ 3.35Å; D502-R618 IonicContact OD2-NH1 2.83Å; D502-R618 PolarHBondContact OD2-NH1 2.8Å; D502-R618 IonicContact OD2-NH2 2.94Å; D502-R618 PolarHBondContact OD2-NH2 3.48Å
503	Y	94.5	Very high	94	Very high	43 Å²	43	38.2 Å²	38.2	17%	0.169	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-30.3	-173.8	-57.3	-89	0	0	0	113.8	L500 S501 R618 I621 E622 L625	L500-Y503 PolarHBondContact O-N 3.19Å; S501-Y503 PolarHBondContact O-N 3.14Å; Y503-R618 HydrophobicContact CE2-CG 4.3Å; Y503-I621 HydrophobicContact CD1-CG2 3.78Å; Y503-I621 HydrophobicContact CD2-CB 4.47Å; Y503-I621 HydrophobicContact CD2-CG2 3.87Å; Y503-I621 HydrophobicContact CE1-CG2 4.33Å; Y503-I621 HydrophobicContact CE2-CG2 4.43Å; Y503-I621 HydrophobicContact CG-CG2 3.52Å; Y503-E622 HydrophobicContact CE1-CG 4.05Å; Y503-E622 PolarHBondContact OH-OE1 2.96Å; Y503-E622 VanDerWaalsContact OH-OE1 3.11Å; Y503-L625 HydrophobicContact CD1-CD1 3.71Å; Y503-L625 HydrophobicContact CG-CD1 4.38Å
504	F	94.9	Very high	93.7	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.018	19%	0.189	C	C	.	.	S	Bend	trans	-122.9	149.6	-172.2	-56.8	-72.9	0	0	0	113.4	P478 A480 L500 I506 I541 I621 L625	P478-F504 HydrophobicContact CB-CD1 3.93Å; P478-F504 HydrophobicContact CB-CE1 4.16Å; P478-F504 HydrophobicContact CG-CD1 3.58Å; P478-F504 HydrophobicContact CG-CE1 3.69Å; P478-F504 CarbonylContact O-C 3.55Å; P478-F504 VanDerWaalsContact O-CA 3.25Å; P478-F504 WeakPolarHBondContact O-CA 3.05Å; P478-F504 WeakPolarHBondContact O-CB 3.43Å; A480-F504 HydrophobicContact CB-CB 3.68Å; A480-F504 HydrophobicContact CB-CD1 4.2Å; A480-F504 HydrophobicContact CB-CD2 4.4Å; A480-F504 HydrophobicContact CB-CG 3.84Å; L500-F504 HydrophobicContact CB-CD2 4.4Å; L500-F504 HydrophobicContact CD2-CE2 4.43Å; L500-F504 WeakPolarHBondContact O-CD2 3.46Å; L500-F504 PolarHBondContact O-N 3.2Å; F504-I506 HydrophobicContact CB-CG1 4.4Å; F504-I541 HydrophobicContact CD1-CG1 4.13Å; F504-I541 HydrophobicContact CE1-CD1 4.37Å; F504-I541 HydrophobicContact CE1-CG1 3.5Å; F504-I541 VanDerWaalsContact CE1-CG1 3.5Å; F504-I541 HydrophobicContact CZ-CD1 4.38Å; F504-I541 HydrophobicContact CZ-CG1 3.73Å; F504-I621 HydrophobicContact CE2-CD1 3.87Å; F504-I621 HydrophobicContact CE2-CG1 4.16Å; F504-I621 HydrophobicContact CE2-CG2 3.56Å; F504-I621 HydrophobicContact CZ-CD1 4.31Å; F504-I621 HydrophobicContact CZ-CG2 3.71Å; F504-L625 HydrophobicContact CE1-CD2 3.98Å; F504-L625 HydrophobicContact CZ-CD2 4.2Å
505	E	95.5	Very high	93.3	Very high	64 Å²	64	43.6 Å²	43.6	30%	0.299	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	114.2	157.8	-172.7	-179.7	164	0	0	107.8	P478 V479 A480 H507 H522	P478-E505 PolarHBondContact O-N 3.29Å; V479-E505 WeakPolarHBondContact CA-O 3.44Å; A480-E505 PolarHBondContact N-O 2.94Å; E505-H507 IonicContact OE1-CE1 2.97Å; E505-H507 IonicContact OE1-NE2 2.73Å; E505-H507 PolarHBondContact OE1-NE2 3.45Å; E505-H522 IonicContact OE1-CD2 3.79Å; E505-H522 IonicContact OE1-NE2 2.86Å
506	I	97.1	Very high	93	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.1	-171.5	-54.8	-174.8	0	0	0	110.5	V482 L497 L500 F504 F520 V521 H522 I543	V482-I506 HydrophobicContact CG2-CG2 3.45Å; V482-I506 VanDerWaalsContact CG2-CG2 3.45Å; L497-I506 HydrophobicContact CB-CD1 4.37Å; L497-I506 HydrophobicContact CD2-CD1 4.45Å; L497-I506 WeakPolarHBondContact O-CD1 3.45Å; L500-I506 HydrophobicContact CB-CD1 4.04Å; F504-I506 HydrophobicContact CB-CG1 4.4Å; I506-F520 HydrophobicContact CD1-CE2 4.42Å; I506-V521 HydrophobicContact CB-CG1 4.49Å; I506-V521 HydrophobicContact CB-CG2 4.24Å; I506-V521 HydrophobicContact CG2-CB 4.48Å; I506-V521 HydrophobicContact CG2-CG1 3.93Å; I506-V521 HydrophobicContact CG2-CG2 3.94Å; I506-V521 WeakPolarHBondContact O-CA 3.36Å; I506-H522 PolarHBondContact O-N 3.37Å; I506-I543 HydrophobicContact CD1-CD1 4.48Å; I506-I543 HydrophobicContact CG2-CD1 4.28Å
507	H	96.8	Very high	92.7	Very high	21 Å²	21	46.6 Å²	46.6	10%	0.097	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149.3	176.9	-70.6	-131.1	0	0	0	110.1	A480 L481 V482 E505 H522 H524	A480-H507 PolarHBondContact O-N 2.87Å; L481-H507 HydrophobicContact CD1-CB 4.08Å; V482-H507 WeakPolarHBondContact CG2-O 3.47Å; V482-H507 PolarHBondContact N-O 3.5Å; E505-H507 IonicContact OE1-CE1 2.97Å; E505-H507 IonicContact OE1-NE2 2.73Å; E505-H507 PolarHBondContact OE1-NE2 3.45Å; H507-H522 CarbonylContact C-O 3.56Å; H507-H522 VanDerWaalsContact CA-O 3.31Å; H507-H522 WeakPolarHBondContact CA-O 3.33Å; H507-H524 AromaticContact CE1-NE2 3.71Å; H507-H524 AromaticContact CG-NE2 3.73Å; H507-H524 AromaticContact ND1-CD2 3.9Å; H507-H524 AromaticContact ND1-CE1 3.61Å; H507-H524 AromaticContact ND1-NE2 2.88Å; H507-H524 PolarHBondContact ND1-NE2 3.3Å
508	G	94.8	Very high	92.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	160.5	173.8	0	0	0	0	0	112	H522 I523 H524	G508-H522 PolarHBondContact N-O 2.76Å; G508-I523 WeakPolarHBondContact O-CA 3.4Å; G508-H524 PolarHBondContact O-CD2 3.42Å; G508-H524 PolarHBondContact O-N 2.95Å
509	N	93.2	Very high	92.4	Very high	16 Å²	16	52.1 Å²	52.1	9%	0.086	25%	0.254	C	S	.	.			trans	-131.1	87.9	175.3	-171.8	41.2	0	0	0	110.8	K485 Q525 I526 Y532	K485-N509 WeakPolarHBondContact CA-O 3.46Å; N509-Q525 PolarHBondContact OD1-N 3.39Å; N509-I526 PolarHBondContact ND2-O 3.17Å; N509-I526 WeakPolarHBondContact OD1-CG1 3.43Å; N509-I526 PolarHBondContact OD1-N 3.18Å; N509-I526 PolarHBondContact OD1-O 3.1Å; N509-Y532 HydrophobicContact CB-CD2 4.13Å; N509-Y532 HydrophobicContact CB-CE2 4Å; N509-Y532 WeakPolarHBondContact ND2-CD2 3.25Å
510	V	91.1	Very high	92.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.27	C	S	.	.			trans	-117	132.2	-178.5	-177.7	0	0	0	0	108.8	G484 K485 W490 D512 L517 I523 Q525	G484-V510 WeakPolarHBondContact O-CG2 3.45Å; K485-V510 WeakPolarHBondContact O-CA 3.47Å; W490-V510 HydrophobicContact CZ2-CG2 3.72Å; V510-D512 WeakPolarHBondContact CG1-O 3.27Å; V510-D512 WeakPolarHBondContact CG1-OD1 3.34Å; V510-L517 HydrophobicContact CB-CD1 3.9Å; V510-L517 HydrophobicContact CG1-CD1 4.11Å; V510-L517 HydrophobicContact CG2-CD1 3.77Å; V510-I523 HydrophobicContact CB-CG2 4.29Å; V510-Q525 WeakPolarHBondContact O-CG 3.36Å
511	L	85.6	Confident	92.3	Very high	49 Å²	49	56.3 Å²	56.3	26%	0.257	27%	0.273	S	S	.	.			trans	-95.6	-18.3	-178.2	-65.6	178.1	0	0	0	113.5	K336 Q525	K336-L511 VanDerWaalsContact C-CD1 3.41Å; K336-L511 WeakPolarHBondContact O-CD1 3.16Å; L511-Q525 VanDerWaalsContact CD2-C 3.44Å; L511-Q525 HydrophobicContact CD2-CB 4.32Å; L511-Q525 WeakPolarHBondContact CD2-O 3.38Å
512	D	86.2	Confident	92.2	Very high	47 Å²	47	59.7 Å²	59.7	25%	0.251	29%	0.286	S	S	.	.	S	Bend	trans	-116.2	149.9	-177.3	73.4	-49.5	0	0	0	113.1	E486 S487 V510 V514	E486-D512 WeakPolarHBondContact CA-OD1 3.39Å; S487-D512 PolarHBondContact N-OD1 3.43Å; S487-D512 PolarHBondContact N-OD2 2.89Å; S487-D512 PolarHBondContact OG-OD2 3.35Å; V510-D512 WeakPolarHBondContact CG1-O 3.27Å; V510-D512 WeakPolarHBondContact CG1-OD1 3.34Å; D512-V514 VanDerWaalsContact C-N 3.31Å; D512-V514 PolarHBondContact O-N 2.87Å
513	K	84.7	Confident	92.2	Very high	145 Å²	145	58 Å²	58	63%	0.63	28%	0.276	S	S	*	.			trans	42	48.2	166.5	-56.8	-179.1	179	-179.4	0	115.6	E515	K513-E515 PolarHBondContact O-N 3.13Å
514	V	87.5	Confident	92.1	Very high	36 Å²	36	59.5 Å²	59.5	22%	0.218	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-64.3	-24.7	-175.9	178.2	0	0	0	0	112.9	D512 N516 L517 I523 Q525	D512-V514 VanDerWaalsContact C-N 3.31Å; D512-V514 PolarHBondContact O-N 2.87Å; V514-N516 PolarHBondContact O-N 3.18Å; V514-N516 VanDerWaalsContact O-N 3.12Å; V514-L517 HydrophobicContact CG1-CD1 4.35Å; V514-L517 WeakPolarHBondContact O-CB 3.4Å; V514-L517 PolarHBondContact O-N 3.47Å; V514-I523 HydrophobicContact CG1-CB 3.97Å; V514-I523 HydrophobicContact CG1-CG1 4.06Å; V514-I523 HydrophobicContact CG1-CG2 3.86Å; V514-I523 HydrophobicContact CG2-CG2 4.05Å; V514-Q525 HydrophobicContact CG2-CG 4.05Å
515	E	87.7	Confident	91.9	Very high	183 Å²	183	64.7 Å²	64.7	86%	0.855	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-56.4	-28.9	-177.4	-63	159.4	-153.6	0	0	114.2	K513	K513-E515 PolarHBondContact O-N 3.13Å
516	N	86.6	Confident	91.5	Very high	137 Å²	137	63.5 Å²	63.5	73%	0.733	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-90.4	-1.4	-178.1	-66	-38.8	0	0	0	113.6	V514	V514-N516 PolarHBondContact O-N 3.18Å; V514-N516 VanDerWaalsContact O-N 3.12Å
517	L	92.6	Very high	90.6	Very high	15 Å²	15	69.7 Å²	69.7	8%	0.079	33%	0.333	C	S	.	.	S	Bend	trans	-83.1	155.1	-177.3	-60.1	-178.7	0	0	0	111.4	W490 V510 V514 K519 I523	W490-L517 HydrophobicContact CB-CD2 3.6Å; W490-L517 HydrophobicContact CD2-CD2 3.96Å; W490-L517 HydrophobicContact CE3-CD2 4.37Å; W490-L517 HydrophobicContact CG-CD2 3.61Å; V510-L517 HydrophobicContact CB-CD1 3.9Å; V510-L517 HydrophobicContact CG1-CD1 4.11Å; V510-L517 HydrophobicContact CG2-CD1 3.77Å; V514-L517 HydrophobicContact CG1-CD1 4.35Å; V514-L517 WeakPolarHBondContact O-CB 3.4Å; V514-L517 PolarHBondContact O-N 3.47Å; L517-K519 PolarHBondContact O-N 3.45Å; L517-I523 HydrophobicContact CD1-CD1 3.8Å; L517-I523 HydrophobicContact CD1-CG1 4.03Å
518	P	93.9	Very high	89.7	Confident	17 Å²	17	71.6 Å²	71.6	11%	0.11	34%	0.34	C	S	.	.			trans	-61.1	124.6	-179.4	-19.5	30.9	0	0	0	111.7	T494 L497 F520 V521	T494-P518 HydrophobicContact CG2-CB 4.29Å; T494-P518 HydrophobicContact CG2-CG 4.06Å; L497-P518 HydrophobicContact CD1-CG 4.42Å; P518-F520 HydrophobicContact CB-CD1 3.91Å; P518-F520 HydrophobicContact CB-CE1 3.43Å; P518-F520 VanDerWaalsContact CB-CE1 3.43Å; P518-F520 HydrophobicContact CB-CE2 4.12Å; P518-F520 HydrophobicContact CB-CG 4.44Å; P518-F520 HydrophobicContact CB-CZ 3.55Å; P518-F520 HydrophobicContact CG-CE1 4.5Å; P518-F520 HydrophobicContact CG-CZ 4.28Å; P518-F520 PolarHBondContact O-N 2.72Å; P518-V521 HydrophobicContact CB-CG2 4.18Å; P518-V521 WeakPolarHBondContact O-CB 3.37Å; P518-V521 PolarHBondContact O-N 3.18Å
519	K	93.2	Very high	88.9	Confident	214 Å²	214	71.9 Å²	71.9	93%	0.93	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.3	-173.9	-63.9	-174.1	179.5	-178.1	0	114.9	L517 V521	L517-K519 PolarHBondContact O-N 3.45Å; K519-V521 PolarHBondContact O-N 3.29Å
520	F	94.5	Very high	88.4	Confident	78 Å²	78	73.7 Å²	73.7	34%	0.342	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	0.5	176.3	60.4	-100.7	0	0	0	113.4	T494 L497 R498 I506 P518	T494-F520 HydrophobicContact CG2-CE1 4.31Å; T494-F520 HydrophobicContact CG2-CZ 4.44Å; L497-F520 HydrophobicContact CB-CE2 4.04Å; L497-F520 HydrophobicContact CB-CZ 4.17Å; R498-F520 HydrophobicContact CB-CE1 4.47Å; R498-F520 HydrophobicContact CB-CZ 4.07Å; I506-F520 HydrophobicContact CD1-CE2 4.42Å; P518-F520 HydrophobicContact CB-CD1 3.91Å; P518-F520 HydrophobicContact CB-CE1 3.43Å; P518-F520 VanDerWaalsContact CB-CE1 3.43Å; P518-F520 HydrophobicContact CB-CE2 4.12Å; P518-F520 HydrophobicContact CB-CG 4.44Å; P518-F520 HydrophobicContact CB-CZ 3.55Å; P518-F520 HydrophobicContact CG-CE1 4.5Å; P518-F520 HydrophobicContact CG-CZ 4.28Å; P518-F520 PolarHBondContact O-N 2.72Å
521	V	95.7	Very high	88.2	Confident	11 Å²	11	77.1 Å²	77.1	7%	0.067	37%	0.373	C	S	.	.	S	Bend	trans	-103	129.5	177.2	-179	0	0	0	0	110.2	W490 I506 P518 K519 I523	W490-V521 HydrophobicContact CH2-CG1 3.97Å; W490-V521 HydrophobicContact CZ3-CG1 4Å; W490-V521 HydrophobicContact CZ3-CG2 4.33Å; I506-V521 HydrophobicContact CB-CG1 4.49Å; I506-V521 HydrophobicContact CB-CG2 4.24Å; I506-V521 HydrophobicContact CG2-CB 4.48Å; I506-V521 HydrophobicContact CG2-CG1 3.93Å; I506-V521 HydrophobicContact CG2-CG2 3.94Å; I506-V521 WeakPolarHBondContact O-CA 3.36Å; P518-V521 HydrophobicContact CB-CG2 4.18Å; P518-V521 WeakPolarHBondContact O-CB 3.37Å; P518-V521 PolarHBondContact O-N 3.18Å; K519-V521 PolarHBondContact O-N 3.29Å; V521-I523 HydrophobicContact CB-CD1 4.38Å; V521-I523 HydrophobicContact CG1-CD1 3.64Å; V521-I523 HydrophobicContact CG1-CG1 4.42Å; V521-I523 PolarHBondContact O-N 3.25Å
522	H	95	Very high	88.3	Confident	98 Å²	98	75.7 Å²	75.7	45%	0.454	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	104	176.9	-61.5	-80	0	0	0	111.1	E505 I506 H507 G508 H524	E505-H522 IonicContact OE1-CD2 3.79Å; E505-H522 IonicContact OE1-NE2 2.86Å; I506-H522 PolarHBondContact O-N 3.37Å; H507-H522 CarbonylContact C-O 3.56Å; H507-H522 VanDerWaalsContact CA-O 3.31Å; H507-H522 WeakPolarHBondContact CA-O 3.33Å; G508-H522 PolarHBondContact N-O 2.76Å; H522-H524 PolarHBondContact O-CD2 2.79Å; H522-H524 VanDerWaalsContact O-CD2 3.27Å
523	I	95.1	Very high	88.3	Confident	38 Å²	38	73.5 Å²	73.5	20%	0.195	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.3	-178.1	-54.6	-63.8	0	0	0	111.1	W490 G508 V510 V514 L517 V521 Q525	W490-I523 HydrophobicContact CH2-CD1 4.14Å; W490-I523 HydrophobicContact CZ2-CD1 4.45Å; G508-I523 WeakPolarHBondContact O-CA 3.4Å; V510-I523 HydrophobicContact CB-CG2 4.29Å; V514-I523 HydrophobicContact CG1-CB 3.97Å; V514-I523 HydrophobicContact CG1-CG1 4.06Å; V514-I523 HydrophobicContact CG1-CG2 3.86Å; V514-I523 HydrophobicContact CG2-CG2 4.05Å; L517-I523 HydrophobicContact CD1-CD1 3.8Å; L517-I523 HydrophobicContact CD1-CG1 4.03Å; V521-I523 HydrophobicContact CB-CD1 4.38Å; V521-I523 HydrophobicContact CG1-CD1 3.64Å; V521-I523 HydrophobicContact CG1-CG1 4.42Å; V521-I523 PolarHBondContact O-N 3.25Å; I523-Q525 HydrophobicContact CG2-CG 3.95Å
524	H	92.4	Very high	88.3	Confident	75 Å²	75	69.6 Å²	69.6	35%	0.347	34%	0.337	S	S	.	.			trans	-93.9	-23.2	-171.8	-69.8	-98.3	0	0	0	115.2	H507 G508 H522 I526 L535	H507-H524 AromaticContact CE1-NE2 3.71Å; H507-H524 AromaticContact CG-NE2 3.73Å; H507-H524 AromaticContact ND1-CD2 3.9Å; H507-H524 AromaticContact ND1-CE1 3.61Å; H507-H524 AromaticContact ND1-NE2 2.88Å; H507-H524 PolarHBondContact ND1-NE2 3.3Å; G508-H524 PolarHBondContact O-CD2 3.42Å; G508-H524 PolarHBondContact O-N 2.95Å; H522-H524 PolarHBondContact O-CD2 2.79Å; H522-H524 VanDerWaalsContact O-CD2 3.27Å; H524-I526 VanDerWaalsContact C-N 3.29Å; H524-I526 HydrophobicContact CB-CD1 4.2Å; H524-I526 HydrophobicContact CB-CG1 4.08Å; H524-I526 HydrophobicContact CB-CG2 4.4Å; H524-I526 PolarHBondContact O-N 2.69Å; H524-L535 HydrophobicContact CB-CD2 4.06Å
525	Q	90.2	Very high	88.4	Confident	112 Å²	112	68.3 Å²	68.3	52%	0.523	33%	0.328	S	S	.	.			trans	48.3	42	-178.3	-51.2	-167.5	-112.1	0	0	115.2	N509 V510 L511 V514 I523	N509-Q525 PolarHBondContact OD1-N 3.39Å; V510-Q525 WeakPolarHBondContact O-CG 3.36Å; L511-Q525 VanDerWaalsContact CD2-C 3.44Å; L511-Q525 HydrophobicContact CD2-CB 4.32Å; L511-Q525 WeakPolarHBondContact CD2-O 3.38Å; V514-Q525 HydrophobicContact CG2-CG 4.05Å; I523-Q525 HydrophobicContact CG2-CG 3.95Å
526	I	87.6	Confident	88.5	Confident	40 Å²	40	59.7 Å²	59.7	21%	0.205	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-101.2	143.4	-178.3	53.5	179.7	0	0	0	112.3	N509 H524 P531 L535	N509-I526 PolarHBondContact ND2-O 3.17Å; N509-I526 WeakPolarHBondContact OD1-CG1 3.43Å; N509-I526 PolarHBondContact OD1-N 3.18Å; N509-I526 PolarHBondContact OD1-O 3.1Å; H524-I526 VanDerWaalsContact C-N 3.29Å; H524-I526 HydrophobicContact CB-CD1 4.2Å; H524-I526 HydrophobicContact CB-CG1 4.08Å; H524-I526 HydrophobicContact CB-CG2 4.4Å; H524-I526 PolarHBondContact O-N 2.69Å; I526-P531 HydrophobicContact CD1-CB 4.31Å; I526-L535 HydrophobicContact CD1-CB 4.09Å; I526-L535 HydrophobicContact CD1-CD2 3.94Å
527	Q	78.3	Confident	88.5	Confident	131 Å²	131	54.3 Å²	54.3	61%	0.612	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-67.5	150.3	171.8	-71.9	-175.5	-14.8	0	0	111.3	S335	S335-Q527 PolarHBondContact O-NE2 3.07Å
528	Y	77.5	Confident	88.3	Confident	61 Å²	61	59.1 Å²	59.1	24%	0.239	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	136.5	176.2	-172.9	-90.4	0	0	0	111.2	F245 L340 Y532 E556	F245-Y528 HydrophobicContact CD2-CD1 4.39Å; F245-Y528 AromaticContact CE2-CD1 3.61Å; F245-Y528 HydrophobicContact CE2-CD1 3.61Å; F245-Y528 AromaticContact CE2-CE1 3.9Å; F245-Y528 HydrophobicContact CE2-CE1 3.9Å; F245-Y528 HydrophobicContact CZ-CD1 4.49Å; F245-Y528 HydrophobicContact CZ-CE1 4.36Å; L340-Y528 HydrophobicContact CD1-CD1 4.12Å; L340-Y528 HydrophobicContact CD1-CD2 4.45Å; L340-Y528 HydrophobicContact CD1-CG 3.8Å; Y528-Y532 AromaticContact CD2-CD1 3.59Å; Y528-Y532 HydrophobicContact CD2-CD1 3.59Å; Y528-Y532 HydrophobicContact CD2-CE1 4.04Å; Y528-Y532 HydrophobicContact CD2-CG 4.1Å; Y528-Y532 AromaticContact CE2-CD1 3.56Å; Y528-Y532 HydrophobicContact CE2-CD1 3.56Å; Y528-Y532 AromaticContact CE2-CE1 3.8Å; Y528-Y532 HydrophobicContact CE2-CE1 3.8Å; Y528-Y532 HydrophobicContact CE2-CG 4.5Å; Y528-E556 PolarHBondContact OH-OE2 2.67Å
529	G	78.9	Confident	88.2	Confident	6 Å²	6	58.6 Å²	58.6	6%	0.062	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	146.3	-153.8	-176.8	0	0	0	0	0	110.5	P531 Y532 L533	G529-P531 VanDerWaalsContact C-CD 3.49Å; G529-Y532 PolarHBondContact O-N 3.3Å; G529-Y532 VanDerWaalsContact O-N 3.14Å; G529-L533 WeakPolarHBondContact O-CG 3.48Å; G529-L533 PolarHBondContact O-N 3.1Å
530	Q	81.9	Confident	88.1	Confident	55 Å²	55	50.6 Å²	50.6	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-51.2	-46	-178.5	-174.1	67.1	26.6	0	0	113.5	Y468 Y532 L533 E534	Y468-Q530 PolarHBondContact OH-NE2 3.33Å; Q530-Y532 PolarHBondContact O-N 3.08Å; Q530-L533 PolarHBondContact O-N 2.94Å; Q530-E534 WeakPolarHBondContact CG-OE1 3.44Å; Q530-E534 PolarHBondContact NE2-OE1 3.38Å; Q530-E534 WeakPolarHBondContact O-CG 3.37Å; Q530-E534 PolarHBondContact O-N 3.16Å
531	P	87.2	Confident	88.1	Confident	71 Å²	71	47 Å²	47	46%	0.461	23%	0.229	S	C	.	.	H	α-helix	trans	-63.8	-38.8	-180	-22.6	35.2	0	0	0	113.5	I526 G529 E534 L535	I526-P531 HydrophobicContact CD1-CB 4.31Å; G529-P531 VanDerWaalsContact C-CD 3.49Å; P531-E534 PolarHBondContact O-N 3.14Å; P531-L535 PolarHBondContact O-N 2.87Å
532	Y	88	Confident	88.1	Confident	20 Å²	20	46.5 Å²	46.5	8%	0.078	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-39.9	177.2	176.8	-97	0	0	0	111.5	L481 N509 Y528 G529 Q530 E534 L535 M536	L481-Y532 HydrophobicContact CD2-CE2 4.26Å; N509-Y532 HydrophobicContact CB-CD2 4.13Å; N509-Y532 HydrophobicContact CB-CE2 4Å; N509-Y532 WeakPolarHBondContact ND2-CD2 3.25Å; Y528-Y532 AromaticContact CD2-CD1 3.59Å; Y528-Y532 HydrophobicContact CD2-CD1 3.59Å; Y528-Y532 HydrophobicContact CD2-CE1 4.04Å; Y528-Y532 HydrophobicContact CD2-CG 4.1Å; Y528-Y532 AromaticContact CE2-CD1 3.56Å; Y528-Y532 HydrophobicContact CE2-CD1 3.56Å; Y528-Y532 AromaticContact CE2-CE1 3.8Å; Y528-Y532 HydrophobicContact CE2-CE1 3.8Å; Y528-Y532 HydrophobicContact CE2-CG 4.5Å; G529-Y532 PolarHBondContact O-N 3.3Å; G529-Y532 VanDerWaalsContact O-N 3.14Å; Q530-Y532 PolarHBondContact O-N 3.08Å; Y532-E534 VanDerWaalsContact C-N 3.33Å; Y532-E534 PolarHBondContact O-N 3.48Å; Y532-L535 WeakPolarHBondContact O-CB 3.27Å; Y532-L535 PolarHBondContact O-N 3.02Å; Y532-M536 PolarHBondContact O-N 2.91Å
533	L	85.1	Confident	88.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.4	-38.1	176.4	-63.8	170	0	0	0	111.3	E462 L464 G529 Q530 L535 M536 S537	E462-L533 WeakPolarHBondContact OE1-CD1 3.43Å; L464-L533 HydrophobicContact CD1-CB 3.89Å; L464-L533 WeakPolarHBondContact CD1-O 3.28Å; L464-L533 HydrophobicContact CD2-CB 3.42Å; L464-L533 VanDerWaalsContact CD2-CB 3.42Å; L464-L533 HydrophobicContact CD2-CD1 4Å; L464-L533 HydrophobicContact CD2-CG 4.18Å; L464-L533 HydrophobicContact CG-CB 4.07Å; G529-L533 WeakPolarHBondContact O-CG 3.48Å; G529-L533 PolarHBondContact O-N 3.1Å; Q530-L533 PolarHBondContact O-N 2.94Å; L533-L535 VanDerWaalsContact C-N 3.33Å; L533-L535 PolarHBondContact O-N 3.14Å; L533-M536 HydrophobicContact CD2-CE 3.69Å; L533-M536 WeakPolarHBondContact O-CB 3.22Å; L533-M536 PolarHBondContact O-N 2.03Å; L533-S537 PolarHBondContact O-N 3.33Å
534	E	86.2	Confident	88.4	Confident	64 Å²	64	40 Å²	40	30%	0.299	20%	0.195	S	C	.	.	H	α-helix	trans	-66.7	-29.9	172.5	-72.3	172.3	-169	0	0	113.7	Y468 Q530 P531 Y532 S537 K538	Y468-E534 HydrophobicContact CD1-CG 3.8Å; Y468-E534 HydrophobicContact CE1-CG 4.02Å; Y468-E534 VanDerWaalsContact CE1-OE1 3.25Å; Y468-E534 WeakPolarHBondContact CE1-OE1 3.36Å; Y468-E534 HydrophobicContact CG-CG 4.46Å; Q530-E534 WeakPolarHBondContact CG-OE1 3.44Å; Q530-E534 PolarHBondContact NE2-OE1 3.38Å; Q530-E534 WeakPolarHBondContact O-CG 3.37Å; Q530-E534 PolarHBondContact O-N 3.16Å; P531-E534 PolarHBondContact O-N 3.14Å; Y532-E534 VanDerWaalsContact C-N 3.33Å; Y532-E534 PolarHBondContact O-N 3.48Å; E534-S537 PolarHBondContact O-OG 3.49Å; E534-S537 VanDerWaalsContact O-OG 3.08Å; E534-K538 WeakPolarHBondContact O-CG 3.38Å
535	L	89.8	Confident	88.6	Confident	9 Å²	9	36.6 Å²	36.6	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-68.2	-46.5	169	174.5	62.8	0	0	0	110.4	L481 H524 I526 P531 Y532 L533 S537 K538	L481-L535 HydrophobicContact CD1-CD2 3.79Å; L481-L535 HydrophobicContact CD1-CG 4.1Å; L481-L535 HydrophobicContact CD2-CG 4.49Å; H524-L535 HydrophobicContact CB-CD2 4.06Å; I526-L535 HydrophobicContact CD1-CB 4.09Å; I526-L535 HydrophobicContact CD1-CD2 3.94Å; P531-L535 PolarHBondContact O-N 2.87Å; Y532-L535 WeakPolarHBondContact O-CB 3.27Å; Y532-L535 PolarHBondContact O-N 3.02Å; L533-L535 VanDerWaalsContact C-N 3.33Å; L533-L535 PolarHBondContact O-N 3.14Å; L535-S537 VanDerWaalsContact C-N 3.3Å; L535-S537 PolarHBondContact O-N 3.18Å; L535-K538 PolarHBondContact O-N 3.09Å; L535-K538 VanDerWaalsContact O-N 3.17Å
536	M	89.9	Confident	88.9	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-60.1	-38.6	178.3	-173.4	175.4	65.2	0	0	111.7	L464 L481 Y532 L533 K538 A539 M542 N560 L562	L464-M536 HydrophobicContact CD1-CE 4.3Å; L481-M536 HydrophobicContact CD2-CB 4.14Å; L481-M536 HydrophobicContact CD2-CG 4.4Å; Y532-M536 PolarHBondContact O-N 2.91Å; L533-M536 HydrophobicContact CD2-CE 3.69Å; L533-M536 WeakPolarHBondContact O-CB 3.22Å; L533-M536 PolarHBondContact O-N 2.03Å; M536-K538 PolarHBondContact O-N 3.19Å; M536-K538 VanDerWaalsContact O-N 3.13Å; M536-A539 PolarHBondContact O-N 3.34Å; M536-A539 VanDerWaalsContact O-N 3.11Å; M536-M542 HydrophobicContact SD-CE 4.12Å; M536-N560 HydrophobicContact CE-CB 4.22Å; M536-N560 WeakPolarHBondContact CE-ND2 3.45Å; M536-L562 HydrophobicContact CG-CD1 4.28Å; M536-L562 HydrophobicContact CG-CD2 3.8Å
537	S	86.6	Confident	89.2	Confident	25 Å²	25	31.7 Å²	31.7	18%	0.175	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.5	179.4	76.7	0	0	0	0	114.7	Y468 L533 E534 L535	Y468-S537 PolarHBondContact O-OG 2.99Å; L533-S537 PolarHBondContact O-N 3.33Å; E534-S537 PolarHBondContact O-OG 3.49Å; E534-S537 VanDerWaalsContact O-OG 3.08Å; L535-S537 VanDerWaalsContact C-N 3.3Å; L535-S537 PolarHBondContact O-N 3.18Å
538	K	87.7	Confident	89.9	Confident	115 Å²	115	26.4 Å²	26.4	50%	0.5	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-20.8	176.4	-64.7	170.7	-172.6	173.2	0	112.8	V470 E534 L535 M536	V470-K538 HydrophobicContact CG2-CG 4.45Å; E534-K538 WeakPolarHBondContact O-CG 3.38Å; L535-K538 PolarHBondContact O-N 3.09Å; L535-K538 VanDerWaalsContact O-N 3.17Å; M536-K538 PolarHBondContact O-N 3.19Å; M536-K538 VanDerWaalsContact O-N 3.13Å
539	A	91.5	Very high	90.7	Very high	7 Å²	7	24.4 Å²	24.4	6%	0.058	13%	0.125	C	C	.	.			trans	-83.2	150.1	-179.6	0	0	0	0	0	111.4	V479 L481 M536 L562	V479-A539 HydrophobicContact CG1-CB 4.02Å; V479-A539 CarbonylContact O-C 3.37Å; V479-A539 WeakPolarHBondContact O-CA 3.47Å; L481-A539 HydrophobicContact CB-CB 3.83Å; M536-A539 PolarHBondContact O-N 3.34Å; M536-A539 VanDerWaalsContact O-N 3.11Å; A539-L562 HydrophobicContact CB-CD2 3.89Å; A539-L562 HydrophobicContact CB-CG 4.47Å; A539-L562 WeakPolarHBondContact O-CD1 3.39Å; A539-L562 WeakPolarHBondContact O-CG 3.5Å
540	Q	91.5	Very high	91.4	Very high	46 Å²	46	24.3 Å²	24.3	22%	0.215	12%	0.123	C	C	.	.	S	Bend	trans	-102.3	-25.3	170	-64	86.8	4.8	0	0	112	V479 L562 I563	V479-Q540 PolarHBondContact O-N 3.4Å; V479-Q540 PolarHBondContact O-OE1 2.91Å; V479-Q540 VanDerWaalsContact O-OE1 3.09Å; Q540-L562 VanDerWaalsContact O-CA 3.3Å; Q540-L562 WeakPolarHBondContact O-CA 3.49Å; Q540-I563 PolarHBondContact O-N 3.18Å
541	I	94.2	Very high	91.9	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.015	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.1	-177.2	-53	-61.3	0	0	0	109.7	A480 L481 F504 I543 I563 L565 I624	A480-I541 CarbonylContact C-O 3.55Å; A480-I541 WeakPolarHBondContact CA-O 3.33Å; A480-I541 HydrophobicContact CB-CB 3.96Å; A480-I541 HydrophobicContact CB-CG2 4.48Å; L481-I541 PolarHBondContact N-O 3.05Å; F504-I541 HydrophobicContact CD1-CG1 4.13Å; F504-I541 HydrophobicContact CE1-CD1 4.37Å; F504-I541 HydrophobicContact CE1-CG1 3.5Å; F504-I541 VanDerWaalsContact CE1-CG1 3.5Å; F504-I541 HydrophobicContact CZ-CD1 4.38Å; F504-I541 HydrophobicContact CZ-CG1 3.73Å; I541-I543 HydrophobicContact CG2-CG1 4.18Å; I541-I563 CarbonylContact C-O 3.58Å; I541-I563 WeakPolarHBondContact CA-O 3.3Å; I541-I563 HydrophobicContact CD1-CB 3.73Å; I541-I563 HydrophobicContact CD1-CD1 4.19Å; I541-I563 HydrophobicContact CD1-CG1 4.4Å; I541-I563 HydrophobicContact CD1-CG2 4.31Å; I541-L565 HydrophobicContact CG2-CD1 3.93Å; I541-L565 HydrophobicContact CG2-CD2 4.43Å; I541-L565 HydrophobicContact CG2-CG 3.74Å; I541-I624 HydrophobicContact CD1-CG2 3.87Å
542	M	96.5	Very high	92.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121	164.1	-179.9	88	80	0	0	108.5	L481 M536 A557 L562 I563 F564 L565	L481-M542 CarbonylContact O-C 3.55Å; L481-M542 VanDerWaalsContact O-CA 3.29Å; L481-M542 WeakPolarHBondContact O-CA 3.27Å; M536-M542 HydrophobicContact SD-CE 4.12Å; M542-A557 HydrophobicContact CB-CB 3.91Å; M542-A557 HydrophobicContact CE-CB 3.29Å; M542-A557 HydrophobicContact CG-CB 4.2Å; M542-L562 HydrophobicContact CB-CD2 4.23Å; M542-I563 PolarHBondContact N-O 2.74Å; M542-F564 HydrophobicContact CB-CD2 4.06Å; M542-F564 HydrophobicContact CG-CD2 3.81Å; M542-F564 HydrophobicContact CG-CE2 4.26Å; M542-F564 WeakPolarHBondContact O-CA 3.46Å; M542-F564 WeakPolarHBondContact O-CD2 3.48Å; M542-L565 PolarHBondContact O-N 3.2Å
543	I	98.1	Very high	92.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	111.2	-178	-57.5	168.2	0	0	0	109.6	A480 L481 V482 Y483 Y496 L497 L500 I506 I541 L565	A480-I543 HydrophobicContact CB-CD1 3.56Å; A480-I543 HydrophobicContact CB-CG1 4.01Å; L481-I543 PolarHBondContact O-N 3.39Å; V482-I543 HydrophobicContact CG2-CB 4.3Å; V482-I543 HydrophobicContact CG2-CD1 4.1Å; Y483-I543 WeakPolarHBondContact CB-O 3.43Å; Y483-I543 PolarHBondContact N-O 2.98Å; Y496-I543 HydrophobicContact CE1-CG2 3.65Å; L497-I543 HydrophobicContact CD2-CD1 4.48Å; L497-I543 HydrophobicContact CD2-CG2 4.23Å; L500-I543 HydrophobicContact CD1-CD1 3.76Å; L500-I543 HydrophobicContact CD1-CG1 4.04Å; L500-I543 HydrophobicContact CD1-CG2 3.68Å; I506-I543 HydrophobicContact CD1-CD1 4.48Å; I506-I543 HydrophobicContact CG2-CD1 4.28Å; I541-I543 HydrophobicContact CG2-CG1 4.18Å; I543-L565 HydrophobicContact CG1-CD1 4.24Å
544	G	98	Very high	92.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	136.1	169.3	0	0	0	0	0	112.4	Y496 L565 P567 Q593	Y496-G544 WeakPolarHBondContact CE1-O 3.39Å; G544-L565 WeakPolarHBondContact CA-O 3.04Å; G544-L565 PolarHBondContact N-O 3.22Å; G544-P567 WeakPolarHBondContact O-CG 3.43Å; G544-Q593 VanDerWaalsContact C-OE1 3.32Å
545	L	97.2	Very high	93.3	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	9%	0.086	C	C	.	.			trans	-97.6	-8.4	175.5	-64	-174.9	0	0	0	113.8	V482 W490 K493 L497 R611	V482-L545 HydrophobicContact CG1-CD1 3.56Å; V482-L545 HydrophobicContact CG1-CD2 3.71Å; V482-L545 HydrophobicContact CG1-CG 3.57Å; W490-L545 HydrophobicContact CD2-CD1 3.87Å; W490-L545 HydrophobicContact CE3-CD1 4.4Å; W490-L545 HydrophobicContact CG-CD1 3.95Å; K493-L545 HydrophobicContact CB-CD2 4.25Å; K493-L545 VanDerWaalsContact CE-O 3.32Å; K493-L545 WeakPolarHBondContact CE-O 3.03Å; K493-L545 HydrophobicContact CG-CD2 4.32Å; L497-L545 HydrophobicContact CD2-CD2 4.15Å; L545-R611 PolarHBondContact O-NH1 2.76Å
546	G	95.2	Very high	93.4	Very high	4 Å²	4	16 Å²	16	4%	0.041	9%	0.085	C	C	.	.	S	Bend	trans	102.7	-15	-173.6	0	0	0	0	0	114.6	Y549 F569	G546-Y549 WeakPolarHBondContact O-CD1 3.5Å; G546-Y549 WeakPolarHBondContact O-CE1 3.48Å; G546-F569 WeakPolarHBondContact O-CZ 3.22Å
547	F	93.5	Very high	93.6	Very high	45 Å²	45	16 Å²	16	20%	0.197	9%	0.085	C	C	.	.			trans	-148.2	142.3	175.2	-170.3	-91.8	0	0	0	108.6	Y488 M489 Y549 F580	Y488-F547 HydrophobicContact CE2-CD1 4.17Å; Y488-F547 HydrophobicContact CE2-CE1 4.16Å; Y488-F547 WeakPolarHBondContact OH-CE1 3.28Å; M489-F547 HydrophobicContact CE-CD1 3.95Å; M489-F547 HydrophobicContact CE-CE1 3.89Å; M489-F547 HydrophobicContact CG-CD1 4.04Å; M489-F547 HydrophobicContact SD-CD1 4.2Å; F547-Y549 AromaticContact CD2-CD2 3.6Å; F547-Y549 HydrophobicContact CD2-CD2 3.6Å; F547-Y549 HydrophobicContact CD2-CE1 4.45Å; F547-Y549 AromaticContact CD2-CE2 3.42Å; F547-Y549 HydrophobicContact CD2-CE2 3.42Å; F547-Y549 VanDerWaalsContact CD2-CE2 3.42Å; F547-Y549 HydrophobicContact CD2-CG 4.22Å; F547-Y549 AromaticContact CD2-CZ 3.88Å; F547-Y549 AromaticContact CE2-CD2 3.63Å; F547-Y549 HydrophobicContact CE2-CD2 3.63Å; F547-Y549 AromaticContact CE2-CE2 3.65Å; F547-Y549 HydrophobicContact CE2-CE2 3.65Å; F547-F580 HydrophobicContact CE2-CD1 4.42Å; F547-F580 AromaticContact CE2-CD2 3.8Å; F547-F580 HydrophobicContact CE2-CD2 3.8Å; F547-F580 AromaticContact CE2-CE2 3.94Å; F547-F580 HydrophobicContact CE2-CE2 3.94Å; F547-F580 HydrophobicContact CE2-CG 4.06Å; F547-F580 HydrophobicContact CE2-CZ 4.29Å; F547-F580 HydrophobicContact CZ-CD2 4.02Å; F547-F580 AromaticContact CZ-CE2 3.93Å; F547-F580 HydrophobicContact CZ-CE2 3.93Å
548	P	93.1	Very high	94	Very high	21 Å²	21	14.9 Å²	14.9	14%	0.136	8%	0.076	C	C	.	.	S	Bend	cis	-73.5	156.5	3.3	33.7	-38.7	0	0	0	113.8	Y483 Q593	Y483-P548 HydrophobicContact CE1-CG 3.83Å; Y483-P548 HydrophobicContact CE2-CG 3.92Å; Y483-P548 WeakPolarHBondContact OH-CG 3.43Å; P548-Q593 WeakPolarHBondContact O-CG 3.45Å; P548-Q593 PolarHBondContact O-NE2 2.73Å
549	Y	94.3	Very high	94.2	Very high	18 Å²	18	9.4 Å²	9.4	7%	0.071	5%	0.053	C	C	.	.	S	Bend	trans	-81.6	139.6	176.9	-55.1	-63.7	0	0	0	110.9	G546 F547 G551 F569 H573 F580 F581 L590	G546-Y549 WeakPolarHBondContact O-CD1 3.5Å; G546-Y549 WeakPolarHBondContact O-CE1 3.48Å; F547-Y549 AromaticContact CD2-CD2 3.6Å; F547-Y549 HydrophobicContact CD2-CD2 3.6Å; F547-Y549 HydrophobicContact CD2-CE1 4.45Å; F547-Y549 AromaticContact CD2-CE2 3.42Å; F547-Y549 HydrophobicContact CD2-CE2 3.42Å; F547-Y549 VanDerWaalsContact CD2-CE2 3.42Å; F547-Y549 HydrophobicContact CD2-CG 4.22Å; F547-Y549 AromaticContact CD2-CZ 3.88Å; F547-Y549 AromaticContact CE2-CD2 3.63Å; F547-Y549 HydrophobicContact CE2-CD2 3.63Å; F547-Y549 AromaticContact CE2-CE2 3.65Å; F547-Y549 HydrophobicContact CE2-CE2 3.65Å; Y549-G551 VanDerWaalsContact C-N 3.28Å; Y549-G551 PolarHBondContact O-N 3.38Å; Y549-G551 VanDerWaalsContact O-N 3.11Å; Y549-F569 AromaticContact CD1-CE2 3.81Å; Y549-F569 HydrophobicContact CD1-CE2 3.81Å; Y549-F569 HydrophobicContact CD1-CZ 4.05Å; Y549-F569 AromaticContact CE1-CE2 3.55Å; Y549-F569 HydrophobicContact CE1-CE2 3.55Å; Y549-F569 AromaticContact CE1-CZ 3.63Å; Y549-F569 HydrophobicContact CE1-CZ 3.63Å; Y549-H573 AromaticContact CE1-ND1 3.54Å; Y549-H573 AromaticContact CZ-ND1 3.63Å; Y549-H573 PolarHBondContact OH-ND1 3.07Å; Y549-F580 AromaticContact CD2-CD1 3.49Å; Y549-F580 HydrophobicContact CD2-CD1 3.49Å; Y549-F580 VanDerWaalsContact CD2-CD1 3.49Å; Y549-F580 AromaticContact CD2-CE1 3.66Å; Y549-F580 HydrophobicContact CD2-CE1 3.66Å; Y549-F580 HydrophobicContact CD2-CG 4.2Å; Y549-F580 HydrophobicContact CE2-CB 4.16Å; Y549-F580 AromaticContact CE2-CD1 3.65Å; Y549-F580 HydrophobicContact CE2-CD1 3.65Å; Y549-F580 HydrophobicContact CE2-CE1 4.29Å; Y549-F580 HydrophobicContact CE2-CG 4.02Å; Y549-F581 AromaticContact CD2-CE2 3.6Å; Y549-F581 HydrophobicContact CD2-CE2 3.6Å; Y549-F581 AromaticContact CD2-CZ 3.69Å; Y549-F581 HydrophobicContact CD2-CZ 3.69Å; Y549-F581 HydrophobicContact CE2-CD2 4.35Å; Y549-F581 AromaticContact CE2-CE2 3.56Å; Y549-F581 HydrophobicContact CE2-CE2 3.56Å; Y549-F581 HydrophobicContact CE2-CZ 4.16Å; Y549-F581 HydrophobicContact CG-CE2 4.12Å; Y549-F581 HydrophobicContact CG-CZ 4Å; Y549-L590 HydrophobicContact CD1-CD2 4.12Å; Y549-L590 HydrophobicContact CG-CD2 4.13Å
550	E	94	Very high	94.2	Very high	5 Å²	5	9.9 Å²	9.9	2%	0.023	5%	0.054	C	C	.	.	S	Bend	trans	45.2	49	169.1	-63.8	179.4	133.5	0	0	113.4	F448 H450 R588 L590 Q593	F448-E550 HydrophobicContact CD2-CB 4.04Å; F448-E550 HydrophobicContact CE2-CB 4.03Å; F448-E550 WeakPolarHBondContact CE2-O 3.36Å; H450-E550 IonicContact CD2-OE1 3.96Å; H450-E550 IonicContact CD2-OE2 2.83Å; E550-R588 IonicContact OE1-CZ 3.59Å; E550-R588 IonicContact OE1-NH1 3.24Å; E550-R588 PolarHBondContact OE1-NH1 2.9Å; E550-R588 IonicContact OE1-NH2 3.7Å; E550-R588 IonicContact OE2-CZ 3.94Å; E550-R588 IonicContact OE2-NH1 3.39Å; E550-R588 PolarHBondContact OE2-NH1 2.93Å; E550-R588 IonicContact OE2-NH2 2.74Å; E550-R588 PolarHBondContact OE2-NH2 2.9Å; E550-L590 HydrophobicContact CG-CD2 4.19Å; E550-Q593 PolarHBondContact N-O 3.4Å
551	G	92.4	Very high	94.2	Very high	8 Å²	8	8.6 Å²	8.6	8%	0.082	5%	0.053	C	C	.	.			trans	-92.1	168.2	174.8	0	0	0	0	0	112.7	Y483 Y549 P554 H594	Y483-G551 WeakPolarHBondContact OH-CA 3.27Å; Y549-G551 VanDerWaalsContact C-N 3.28Å; Y549-G551 PolarHBondContact O-N 3.38Å; Y549-G551 VanDerWaalsContact O-N 3.11Å; G551-P554 WeakPolarHBondContact O-CD 3.32Å; G551-H594 PolarHBondContact O-NE2 3.36Å
552	P	93.3	Very high	94.1	Very high	17 Å²	17	8.7 Å²	8.7	11%	0.11	5%	0.054	C	C	.	.	S	Bend	trans	-75.2	-27.6	-177.4	30.7	-34.3	0	0	0	113.5	F447 F459 L555 E556	F447-P552 HydrophobicContact CE1-CG 4.49Å; F447-P552 HydrophobicContact CZ-CB 4.18Å; F447-P552 HydrophobicContact CZ-CG 4.22Å; F459-P552 HydrophobicContact CD2-CB 4.1Å; F459-P552 HydrophobicContact CE1-CB 4.44Å; F459-P552 HydrophobicContact CE2-CB 3.43Å; F459-P552 VanDerWaalsContact CE2-CB 3.43Å; F459-P552 HydrophobicContact CZ-CB 3.63Å; P552-L555 PolarHBondContact O-N 2.73Å; P552-L555 VanDerWaalsContact O-N 3.07Å; P552-E556 PolarHBondContact O-N 3.14Å
553	A	92.6	Very high	94	Very high	12 Å²	12	9.2 Å²	9.2	10%	0.099	6%	0.057	C	C	.	.	H	α-helix	trans	-59.9	-40.4	-169	0	0	0	0	0	114.4	Y483 L555 E556 A557	Y483-A553 HydrophobicContact CD2-CB 4.07Å; Y483-A553 HydrophobicContact CE2-CB 3.59Å; A553-L555 VanDerWaalsContact C-N 3.35Å; A553-L555 PolarHBondContact O-N 3.44Å; A553-E556 PolarHBondContact O-N 2.87Å; A553-A557 WeakPolarHBondContact O-CB 3.32Å; A553-A557 PolarHBondContact O-N 3.44Å
554	P	95.3	Very high	94	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.006	6%	0.057	C	C	.	.	H	α-helix	trans	-60.9	-38.4	174.1	-29	40	0	0	0	113.9	Y483 G551 A557 I558 F564 I597	Y483-P554 HydrophobicContact CD1-CG 3.72Å; Y483-P554 HydrophobicContact CE1-CG 3.53Å; G551-P554 WeakPolarHBondContact O-CD 3.32Å; P554-A557 VanDerWaalsContact O-CB 3.3Å; P554-A557 WeakPolarHBondContact O-CB 3.21Å; P554-A557 PolarHBondContact O-N 3.05Å; P554-I558 WeakPolarHBondContact O-CG1 3.32Å; P554-I558 PolarHBondContact O-N 3.46Å; P554-I558 VanDerWaalsContact O-N 3.14Å; P554-F564 HydrophobicContact CB-CD1 3.88Å; P554-F564 HydrophobicContact CB-CD2 4Å; P554-F564 HydrophobicContact CB-CE1 3.86Å; P554-F564 HydrophobicContact CB-CE2 3.98Å; P554-F564 HydrophobicContact CB-CG 3.95Å; P554-F564 HydrophobicContact CB-CZ 3.93Å; P554-F564 HydrophobicContact CG-CD2 4.36Å; P554-F564 HydrophobicContact CG-CE1 4.19Å; P554-F564 HydrophobicContact CG-CE2 3.89Å; P554-F564 HydrophobicContact CG-CZ 3.8Å; P554-I597 HydrophobicContact CB-CD1 3.46Å; P554-I597 VanDerWaalsContact CB-CD1 3.46Å
555	L	94.4	Very high	94	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.021	6%	0.057	C	C	.	.	H	α-helix	trans	-68.3	-40.6	174.4	-80.5	-171	0	0	0	112.2	F448 F459 P552 A553 A557 I558 A559 Y596 I597 I601 Y638	F448-L555 HydrophobicContact CE1-CD1 3.56Å; F448-L555 HydrophobicContact CE1-CG 4.34Å; F448-L555 HydrophobicContact CZ-CD1 4.18Å; F459-L555 HydrophobicContact CZ-CD1 3.98Å; P552-L555 PolarHBondContact O-N 2.73Å; P552-L555 VanDerWaalsContact O-N 3.07Å; A553-L555 VanDerWaalsContact C-N 3.35Å; A553-L555 PolarHBondContact O-N 3.44Å; L555-A557 VanDerWaalsContact C-N 3.29Å; L555-A557 PolarHBondContact O-N 3.13Å; L555-I558 PolarHBondContact O-N 2.9Å; L555-A559 WeakPolarHBondContact O-CB 3.46Å; L555-A559 PolarHBondContact O-N 3.39Å; L555-Y596 HydrophobicContact CD1-CD1 4.34Å; L555-Y596 HydrophobicContact CD1-CE1 4.24Å; L555-Y596 HydrophobicContact CD2-CD1 4.23Å; L555-Y596 HydrophobicContact CD2-CE1 4.06Å; L555-I597 HydrophobicContact CD2-CD1 3.9Å; L555-I597 HydrophobicContact CD2-CG1 3.62Å; L555-I597 HydrophobicContact CG-CD1 4.13Å; L555-I597 HydrophobicContact CG-CG1 4.22Å; L555-I601 HydrophobicContact CD2-CD1 3.35Å; L555-Y638 HydrophobicContact CD1-CD1 3.8Å; L555-Y638 HydrophobicContact CD1-CD2 3.99Å; L555-Y638 HydrophobicContact CD1-CE1 3.76Å; L555-Y638 HydrophobicContact CD1-CE2 3.99Å; L555-Y638 HydrophobicContact CD1-CG 3.93Å
556	E	93	Very high	94	Very high	3 Å²	3	9.1 Å²	9.1	1%	0.014	6%	0.056	C	C	.	.	H	α-helix	trans	-62.6	-38	174.3	-67.8	178.9	152.4	0	0	111.1	R249 A461 Y528 P552 A553 A559 N560	R249-E556 IonicContact NH1-OE1 2.74Å; R249-E556 PolarHBondContact NH1-OE1 3.3Å; A461-E556 HydrophobicContact CB-CG 4.3Å; Y528-E556 PolarHBondContact OH-OE2 2.67Å; P552-E556 PolarHBondContact O-N 3.14Å; A553-E556 PolarHBondContact O-N 2.87Å; E556-A559 PolarHBondContact O-N 3.36Å; E556-N560 WeakPolarHBondContact O-CB 3.1Å; E556-N560 PolarHBondContact O-N 3.12Å; E556-N560 PolarHBondContact O-ND2 3.25Å
557	A	94	Very high	94.1	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-56.9	-53	173.7	0	0	0	0	0	111.7	M542 A553 P554 L555 A559 N560 G561 L562	M542-A557 HydrophobicContact CB-CB 3.91Å; M542-A557 HydrophobicContact CE-CB 3.29Å; M542-A557 HydrophobicContact CG-CB 4.2Å; A553-A557 WeakPolarHBondContact O-CB 3.32Å; A553-A557 PolarHBondContact O-N 3.44Å; P554-A557 VanDerWaalsContact O-CB 3.3Å; P554-A557 WeakPolarHBondContact O-CB 3.21Å; P554-A557 PolarHBondContact O-N 3.05Å; L555-A557 VanDerWaalsContact C-N 3.29Å; L555-A557 PolarHBondContact O-N 3.13Å; A557-A559 VanDerWaalsContact C-N 3.32Å; A557-A559 PolarHBondContact O-N 2.87Å; A557-N560 CarbonylContact O-C 3.59Å; A557-N560 WeakPolarHBondContact O-CA 3.36Å; A557-N560 PolarHBondContact O-N 3.01Å; A557-G561 PolarHBondContact O-N 3.44Å; A557-L562 HydrophobicContact CB-CB 3.92Å; A557-L562 HydrophobicContact CB-CD2 4.2Å; A557-L562 WeakPolarHBondContact O-CB 3.24Å; A557-L562 PolarHBondContact O-N 2.73Å
558	I	94	Very high	94.3	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-63.7	-40.2	-178.5	-66	167.2	0	0	0	110.5	P554 L555 N560 G561 L562 F564 I597 I601 Y605 Y633	P554-I558 WeakPolarHBondContact O-CG1 3.32Å; P554-I558 PolarHBondContact O-N 3.46Å; P554-I558 VanDerWaalsContact O-N 3.14Å; L555-I558 PolarHBondContact O-N 2.9Å; I558-N560 PolarHBondContact O-N 2.9Å; I558-G561 PolarHBondContact O-N 3.31Å; I558-L562 WeakPolarHBondContact CA-O 3.24Å; I558-F564 HydrophobicContact CD1-CB 4.07Å; I558-F564 HydrophobicContact CG1-CB 4.17Å; I558-I597 HydrophobicContact CD1-CD1 3.88Å; I558-I597 HydrophobicContact CD1-CG1 4.26Å; I558-I597 HydrophobicContact CD1-CG2 3.85Å; I558-I601 HydrophobicContact CD1-CD1 4.42Å; I558-Y605 HydrophobicContact CG2-CD1 4.18Å; I558-Y605 HydrophobicContact CG2-CG 4.07Å; I558-Y633 CarbonylContact C-O 3.5Å; I558-Y633 HydrophobicContact CG2-CD1 4.43Å; I558-Y633 WeakPolarHBondContact CG2-O 3.46Å; I558-Y633 PolarHBondContact O-N 3.33Å
559	A	92.6	Very high	94.5	Very high	1 Å²	1	12 Å²	12	1%	0.008	6%	0.062	C	C	.	.	H	α-helix	trans	-61.9	-29.7	174.6	0	0	0	0	0	112.7	A461 I463 L555 E556 A557 Y633 R634	A461-A559 HydrophobicContact CB-CB 4.26Å; I463-A559 HydrophobicContact CD1-CB 4.35Å; I463-A559 HydrophobicContact CG1-CB 3.91Å; L555-A559 WeakPolarHBondContact O-CB 3.46Å; L555-A559 PolarHBondContact O-N 3.39Å; E556-A559 PolarHBondContact O-N 3.36Å; A557-A559 VanDerWaalsContact C-N 3.32Å; A557-A559 PolarHBondContact O-N 2.87Å; A559-Y633 VanDerWaalsContact CA-O 3.23Å; A559-Y633 WeakPolarHBondContact CA-O 3.41Å; A559-Y633 PolarHBondContact N-O 3.1Å; A559-R634 HydrophobicContact CB-CB 4.03Å; A559-R634 HydrophobicContact CB-CG 4.37Å
560	N	91.4	Very high	94.5	Very high	16 Å²	16	18 Å²	18	9%	0.086	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	0.9	175.7	-74.4	-79.8	0	0	0	114.2	E462 L464 M536 E556 A557 I558 L562	E462-N560 PolarHBondContact O-ND2 3.38Å; L464-N560 WeakPolarHBondContact CB-OD1 3.09Å; L464-N560 PolarHBondContact N-OD1 3.04Å; M536-N560 HydrophobicContact CE-CB 4.22Å; M536-N560 WeakPolarHBondContact CE-ND2 3.45Å; E556-N560 WeakPolarHBondContact O-CB 3.1Å; E556-N560 PolarHBondContact O-N 3.12Å; E556-N560 PolarHBondContact O-ND2 3.25Å; A557-N560 CarbonylContact O-C 3.59Å; A557-N560 WeakPolarHBondContact O-CA 3.36Å; A557-N560 PolarHBondContact O-N 3.01Å; I558-N560 PolarHBondContact O-N 2.9Å; N560-L562 HydrophobicContact CB-CD1 4.32Å
561	G	90.5	Very high	94.5	Very high	19 Å²	19	21.8 Å²	21.8	20%	0.196	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	15.5	173.9	0	0	0	0	0	115	A557 I558	A557-G561 PolarHBondContact O-N 3.44Å; I558-G561 PolarHBondContact O-N 3.31Å
562	L	93.6	Very high	94.7	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.026	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-85.8	145.3	171.9	-74.8	65.4	0	0	0	109.9	M536 A539 Q540 M542 A557 I558 N560	M536-L562 HydrophobicContact CG-CD1 4.28Å; M536-L562 HydrophobicContact CG-CD2 3.8Å; A539-L562 HydrophobicContact CB-CD2 3.89Å; A539-L562 HydrophobicContact CB-CG 4.47Å; A539-L562 WeakPolarHBondContact O-CD1 3.39Å; A539-L562 WeakPolarHBondContact O-CG 3.5Å; Q540-L562 VanDerWaalsContact O-CA 3.3Å; Q540-L562 WeakPolarHBondContact O-CA 3.49Å; M542-L562 HydrophobicContact CB-CD2 4.23Å; A557-L562 HydrophobicContact CB-CB 3.92Å; A557-L562 HydrophobicContact CB-CD2 4.2Å; A557-L562 WeakPolarHBondContact O-CB 3.24Å; A557-L562 PolarHBondContact O-N 2.73Å; I558-L562 WeakPolarHBondContact CA-O 3.24Å; N560-L562 HydrophobicContact CB-CD1 4.32Å
563	I	94.7	Very high	94.9	Very high	12 Å²	12	24.3 Å²	24.3	6%	0.062	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.8	168.8	-62.7	169.6	0	0	0	108.8	Q540 I541 M542 Y605 Y607 I624	Q540-I563 PolarHBondContact O-N 3.18Å; I541-I563 CarbonylContact C-O 3.58Å; I541-I563 WeakPolarHBondContact CA-O 3.3Å; I541-I563 HydrophobicContact CD1-CB 3.73Å; I541-I563 HydrophobicContact CD1-CD1 4.19Å; I541-I563 HydrophobicContact CD1-CG1 4.4Å; I541-I563 HydrophobicContact CD1-CG2 4.31Å; M542-I563 PolarHBondContact N-O 2.74Å; I563-Y605 CarbonylContact C-O 3.49Å; I563-Y605 WeakPolarHBondContact CA-O 3.15Å; I563-Y607 HydrophobicContact CD1-CE2 4.5Å; I563-Y607 HydrophobicContact CG2-CD2 3.41Å; I563-Y607 VanDerWaalsContact CG2-CD2 3.41Å; I563-Y607 HydrophobicContact CG2-CE2 3.61Å; I563-I624 HydrophobicContact CD1-CG2 3.68Å; I563-I624 HydrophobicContact CG2-CD1 4.31Å
564	F	96.5	Very high	94.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.4	177.7	179.5	-125.9	0	0	0	112.2	M542 P554 I558 N566 H594 I597 Y605 S606 Y607	M542-F564 HydrophobicContact CB-CD2 4.06Å; M542-F564 HydrophobicContact CG-CD2 3.81Å; M542-F564 HydrophobicContact CG-CE2 4.26Å; M542-F564 WeakPolarHBondContact O-CA 3.46Å; M542-F564 WeakPolarHBondContact O-CD2 3.48Å; P554-F564 HydrophobicContact CB-CD1 3.88Å; P554-F564 HydrophobicContact CB-CD2 4Å; P554-F564 HydrophobicContact CB-CE1 3.86Å; P554-F564 HydrophobicContact CB-CE2 3.98Å; P554-F564 HydrophobicContact CB-CG 3.95Å; P554-F564 HydrophobicContact CB-CZ 3.93Å; P554-F564 HydrophobicContact CG-CD2 4.36Å; P554-F564 HydrophobicContact CG-CE1 4.19Å; P554-F564 HydrophobicContact CG-CE2 3.89Å; P554-F564 HydrophobicContact CG-CZ 3.8Å; I558-F564 HydrophobicContact CD1-CB 4.07Å; I558-F564 HydrophobicContact CG1-CB 4.17Å; F564-N566 HydrophobicContact CD1-CB 3.69Å; F564-N566 HydrophobicContact CE1-CB 3.47Å; F564-N566 VanDerWaalsContact CE1-CB 3.47Å; F564-N566 HydrophobicContact CZ-CB 4.29Å; F564-N566 PolarHBondContact O-N 2.73Å; F564-H594 HydrophobicContact CE1-CB 4.02Å; F564-I597 HydrophobicContact CD1-CD1 4.06Å; F564-I597 HydrophobicContact CD1-CG2 4.22Å; F564-I597 HydrophobicContact CE1-CD1 4.41Å; F564-Y605 PolarHBondContact N-O 3.27Å; F564-S606 CarbonylContact O-C 3.51Å; F564-S606 WeakPolarHBondContact O-CA 3.27Å; F564-S606 WeakPolarHBondContact O-CB 3.13Å; F564-S606 PolarHBondContact O-OG 2.92Å; F564-Y607 PolarHBondContact O-N 3.19Å
565	L	97.7	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	107.3	166.8	-56.2	-176.1	0	0	0	108.4	L500 I541 M542 I543 G544 P567 V609 I621 I624	L500-L565 HydrophobicContact CD1-CD1 4.08Å; L500-L565 HydrophobicContact CD2-CD1 4.04Å; I541-L565 HydrophobicContact CG2-CD1 3.93Å; I541-L565 HydrophobicContact CG2-CD2 4.43Å; I541-L565 HydrophobicContact CG2-CG 3.74Å; M542-L565 PolarHBondContact O-N 3.2Å; I543-L565 HydrophobicContact CG1-CD1 4.24Å; G544-L565 WeakPolarHBondContact CA-O 3.04Å; G544-L565 PolarHBondContact N-O 3.22Å; L565-P567 WeakPolarHBondContact O-CD 3.18Å; L565-V609 HydrophobicContact CB-CG1 4.37Å; L565-V609 HydrophobicContact CB-CG2 4.26Å; L565-V609 HydrophobicContact CD2-CG1 4.3Å; L565-I621 HydrophobicContact CD1-CD1 3.84Å; L565-I621 HydrophobicContact CD2-CD1 4.05Å; L565-I624 HydrophobicContact CD2-CD1 3.63Å
566	N	98	Very high	94.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	107.1	-174.1	-175.8	15.9	0	0	0	110.5	F564 R568 S592 Q593 H594 Y607 L608 V609	F564-N566 HydrophobicContact CD1-CB 3.69Å; F564-N566 HydrophobicContact CE1-CB 3.47Å; F564-N566 VanDerWaalsContact CE1-CB 3.47Å; F564-N566 HydrophobicContact CZ-CB 4.29Å; F564-N566 PolarHBondContact O-N 2.73Å; N566-R568 PolarHBondContact O-N 3.36Å; N566-S592 WeakPolarHBondContact ND2-CB 3.23Å; N566-S592 PolarHBondContact ND2-OG 2.9Å; N566-Q593 WeakPolarHBondContact OD1-CB 3.49Å; N566-Q593 PolarHBondContact OD1-N 3.12Å; N566-H594 PolarHBondContact ND2-O 2.97Å; N566-H594 PolarHBondContact OD1-N 2.56Å; N566-H594 VanDerWaalsContact OD1-N 3.11Å; N566-Y607 PolarHBondContact N-O 2.99Å; N566-L608 HydrophobicContact CB-CD2 4.26Å; N566-L608 WeakPolarHBondContact O-CA 3.36Å; N566-V609 PolarHBondContact O-N 3.34Å
567	P	98	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	125.6	178.7	-28.7	39.1	0	0	0	112.2	G544 L565 F569 S592 Q593 V609 R611	G544-P567 WeakPolarHBondContact O-CG 3.43Å; L565-P567 WeakPolarHBondContact O-CD 3.18Å; P567-F569 HydrophobicContact CB-CE1 4.26Å; P567-S592 CarbonylContact O-C 3.31Å; P567-S592 WeakPolarHBondContact O-CA 3.48Å; P567-S592 VanDerWaalsContact O-CB 3.27Å; P567-S592 WeakPolarHBondContact O-CB 3.32Å; P567-Q593 VanDerWaalsContact CD-OE1 3.28Å; P567-Q593 HydrophobicContact CG-CB 4.48Å; P567-Q593 PolarHBondContact O-N 3.47Å; P567-V609 WeakPolarHBondContact CA-O 3.43Å; P567-V609 HydrophobicContact CG-CG2 4.42Å; P567-R611 HydrophobicContact CB-CG 4.08Å; P567-R611 HydrophobicContact CG-CG 4.34Å
568	R	97.7	Very high	94.6	Very high	122 Å²	122	38.8 Å²	38.8	46%	0.46	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	145.9	170.2	-176.9	180	-70.4	179.6	-1.3	110	N566 V609	N566-R568 PolarHBondContact O-N 3.36Å; R568-V609 PolarHBondContact N-O 3.28Å
569	F	96.7	Very high	94.6	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.035	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115.7	172.2	-57.2	-32.9	0	0	0	109.8	G546 Y549 P567 P571 H573 L590 T591 S592 Q593	G546-F569 WeakPolarHBondContact O-CZ 3.22Å; Y549-F569 AromaticContact CD1-CE2 3.81Å; Y549-F569 HydrophobicContact CD1-CE2 3.81Å; Y549-F569 HydrophobicContact CD1-CZ 4.05Å; Y549-F569 AromaticContact CE1-CE2 3.55Å; Y549-F569 HydrophobicContact CE1-CE2 3.55Å; Y549-F569 AromaticContact CE1-CZ 3.63Å; Y549-F569 HydrophobicContact CE1-CZ 3.63Å; P567-F569 HydrophobicContact CB-CE1 4.26Å; F569-P571 CarbonylContact C-O 3.41Å; F569-P571 VanDerWaalsContact C-O 3.28Å; F569-P571 CarbonylContact O-C 3.15Å; F569-H573 AromaticContact CD1-CE1 3.6Å; F569-H573 AromaticContact CD1-ND1 3.99Å; F569-H573 AromaticContact CD1-NE2 3.72Å; F569-H573 HydrophobicContact CD2-CB 3.82Å; F569-H573 AromaticContact CD2-CD2 4Å; F569-H573 AromaticContact CD2-CG 3.55Å; F569-H573 AromaticContact CD2-ND1 3.61Å; F569-H573 AromaticContact CE1-CE1 3.78Å; F569-H573 HydrophobicContact CE2-CB 4.34Å; F569-H573 AromaticContact CE2-ND1 3.66Å; F569-H573 HydrophobicContact CG-CB 4.37Å; F569-H573 AromaticContact CG-CD2 3.66Å; F569-H573 AromaticContact CG-CE1 3.78Å; F569-H573 AromaticContact CG-CG 3.71Å; F569-H573 AromaticContact CG-ND1 3.79Å; F569-H573 AromaticContact CG-NE2 3.73Å; F569-H573 AromaticContact CZ-ND1 3.92Å; F569-L590 HydrophobicContact CD2-CB 4.4Å; F569-T591 PolarHBondContact N-O 3.11Å; F569-S592 VanDerWaalsContact CD2-C 3.43Å; F569-S592 WeakPolarHBondContact CD2-O 3.44Å; F569-S592 WeakPolarHBondContact CE2-O 3.14Å; F569-Q593 HydrophobicContact CE2-CB 4.47Å; F569-Q593 VanDerWaalsContact CE2-N 3.29Å; F569-Q593 VanDerWaalsContact CZ-CA 3.44Å; F569-Q593 HydrophobicContact CZ-CB 3.87Å; F569-Q593 VanDerWaalsContact CZ-N 3.35Å
570	N	94.2	Very high	94.4	Very high	143 Å²	143	48 Å²	48	77%	0.765	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	105.8	173.9	-172.1	18.1	0	0	0	109.1
571	P	95	Very high	94.4	Very high	86 Å²	86	47.3 Å²	47.3	56%	0.558	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	cis	-69.2	160	1.8	30.8	-36.6	0	0	0	113.1	F569	F569-P571 CarbonylContact C-O 3.41Å; F569-P571 VanDerWaalsContact C-O 3.28Å; F569-P571 CarbonylContact O-C 3.15Å
572	P	96.3	Very high	94.3	Very high	49 Å²	49	49.1 Å²	49.1	32%	0.318	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	142.7	172.2	-28.9	37.3	0	0	0	112.7	N577 L590 T591	P572-N577 PolarHBondContact O-ND2 3.27Å; P572-L590 CarbonylContact C-O 3.39Å; P572-L590 VanDerWaalsContact CA-O 3.26Å; P572-L590 WeakPolarHBondContact CA-O 3.4Å; P572-L590 WeakPolarHBondContact CB-O 3.45Å; P572-T591 HydrophobicContact CG-CG2 4.39Å
573	H	96.2	Very high	94	Very high	29 Å²	29	51.4 Å²	51.4	13%	0.134	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	130.4	-179.2	-78.4	-166.7	0	0	0	111.2	Y549 F569 N577 Q578 S589 L590	Y549-H573 AromaticContact CE1-ND1 3.54Å; Y549-H573 AromaticContact CZ-ND1 3.63Å; Y549-H573 PolarHBondContact OH-ND1 3.07Å; F569-H573 AromaticContact CD1-CE1 3.6Å; F569-H573 AromaticContact CD1-ND1 3.99Å; F569-H573 AromaticContact CD1-NE2 3.72Å; F569-H573 HydrophobicContact CD2-CB 3.82Å; F569-H573 AromaticContact CD2-CD2 4Å; F569-H573 AromaticContact CD2-CG 3.55Å; F569-H573 AromaticContact CD2-ND1 3.61Å; F569-H573 AromaticContact CE1-CE1 3.78Å; F569-H573 HydrophobicContact CE2-CB 4.34Å; F569-H573 AromaticContact CE2-ND1 3.66Å; F569-H573 HydrophobicContact CG-CB 4.37Å; F569-H573 AromaticContact CG-CD2 3.66Å; F569-H573 AromaticContact CG-CE1 3.78Å; F569-H573 AromaticContact CG-CG 3.71Å; F569-H573 AromaticContact CG-ND1 3.79Å; F569-H573 AromaticContact CG-NE2 3.73Å; F569-H573 AromaticContact CZ-ND1 3.92Å; H573-N577 WeakPolarHBondContact CA-OD1 3.01Å; H573-Q578 HydrophobicContact CB-CG 3.63Å; H573-Q578 PolarHBondContact CD2-NE2 3.42Å; H573-Q578 PolarHBondContact CE1-NE2 3.35Å; H573-Q578 VanDerWaalsContact CE1-NE2 3.29Å; H573-Q578 PolarHBondContact NE2-NE2 2.78Å; H573-S589 CarbonylContact O-C 3.51Å; H573-S589 WeakPolarHBondContact O-CA 2.98Å; H573-L590 HydrophobicContact CB-CB 4.47Å; H573-L590 PolarHBondContact N-O 2.89Å; H573-L590 PolarHBondContact O-N 3.01Å
574	S	93.5	Very high	93.8	Very high	8 Å²	8	52.4 Å²	52.4	6%	0.056	28%	0.282	C	S	.	.			trans	-152.7	-177.4	-177.1	79.5	0	0	0	0	111.6	S576 N577 Q578 S589	S574-S576 PolarHBondContact O-N 2Å; S574-S576 VanDerWaalsContact O-N 3.14Å; S574-S576 PolarHBondContact OG-N 3.34Å; S574-S576 PolarHBondContact OG-OG 3.49Å; S574-N577 PolarHBondContact N-OD1 3.22Å; S574-N577 PolarHBondContact O-N 2.83Å; S574-N577 PolarHBondContact O-OD1 2.91Å; S574-Q578 WeakPolarHBondContact O-CB 3.11Å; S574-Q578 PolarHBondContact O-N 3.05Å; S574-S589 VanDerWaalsContact CB-OG 3.25Å; S574-S589 WeakPolarHBondContact CB-OG 3.39Å
575	R	92.7	Very high	93.7	Very high	83 Å²	83	52.6 Å²	52.6	31%	0.313	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-25	173.5	-165.4	170.3	101.3	107.1	1.8	113.7	Y427 E432 F581 S582	Y427-R575 PolarHBondContact OH-NE 3.05Å; Y427-R575 VanDerWaalsContact OH-NE 3.16Å; E432-R575 IonicContact OE1-NH1 3.21Å; E432-R575 IonicContact OE2-NH1 3.76Å; E432-R575 PolarHBondContact OE2-NH1 3.35Å; R575-F581 HydrophobicContact CB-CB 4.4Å; R575-F581 VanDerWaalsContact CG-O 3.31Å; R575-F581 WeakPolarHBondContact CG-O 3.28Å; R575-S582 WeakPolarHBondContact CD-O 3.29Å; R575-S582 PolarHBondContact NH1-O 2.84Å; R575-S582 VanDerWaalsContact NH1-O 3.09Å
576	S	91.1	Very high	93.4	Very high	110 Å²	110	52.7 Å²	52.7	77%	0.769	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-18	-176.9	66	0	0	0	0	114.5	S574	S574-S576 PolarHBondContact O-N 2Å; S574-S576 VanDerWaalsContact O-N 3.14Å; S574-S576 PolarHBondContact OG-N 3.34Å; S574-S576 PolarHBondContact OG-OG 3.49Å
577	N	94.1	Very high	93.1	Very high	66 Å²	66	55.2 Å²	55.2	35%	0.353	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-4	-174.2	64	15.2	0	0	0	114.7	P572 H573 S574	P572-N577 PolarHBondContact O-ND2 3.27Å; H573-N577 WeakPolarHBondContact CA-OD1 3.01Å; S574-N577 PolarHBondContact N-OD1 3.22Å; S574-N577 PolarHBondContact O-N 2.83Å; S574-N577 PolarHBondContact O-OD1 2.91Å
578	Q	93.3	Very high	92.8	Very high	56 Å²	56	57 Å²	57	26%	0.262	31%	0.308	S	S	.	.			trans	-127.6	122.8	178	-69.7	-58.5	-32.2	0	0	112	H573 S574 F580 F581 S582	H573-Q578 HydrophobicContact CB-CG 3.63Å; H573-Q578 PolarHBondContact CD2-NE2 3.42Å; H573-Q578 PolarHBondContact CE1-NE2 3.35Å; H573-Q578 VanDerWaalsContact CE1-NE2 3.29Å; H573-Q578 PolarHBondContact NE2-NE2 2.78Å; S574-Q578 WeakPolarHBondContact O-CB 3.11Å; S574-Q578 PolarHBondContact O-N 3.05Å; Q578-F580 PolarHBondContact O-N 2.93Å; Q578-F581 HydrophobicContact CB-CD2 3.88Å; Q578-F581 PolarHBondContact O-N 3.2Å; Q578-S582 PolarHBondContact O-N 2.03Å
579	V	92.1	Very high	92.6	Very high	125 Å²	125	54.2 Å²	54.2	76%	0.758	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-57.6	-36.5	-180	179.1	0	0	0	0	111.9	F581 S582	V579-F581 PolarHBondContact O-N 2.98Å; V579-S582 WeakPolarHBondContact O-CB 3.02Å; V579-S582 PolarHBondContact O-N 3.01Å; V579-S582 VanDerWaalsContact O-N 3.12Å; V579-S582 PolarHBondContact O-OG 2.94Å
580	F	90.2	Very high	92.6	Very high	71 Å²	71	53.9 Å²	53.9	31%	0.311	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-58	-29.5	177.7	178.7	-97.3	0	0	0	114	F421 F547 Y549 Q578 K584	F421-F580 HydrophobicContact CE1-CE1 4.24Å; F421-F580 HydrophobicContact CE2-CE1 4.01Å; F421-F580 AromaticContact CE2-CZ 3.94Å; F421-F580 HydrophobicContact CE2-CZ 3.94Å; F421-F580 AromaticContact CZ-CE1 3.63Å; F421-F580 HydrophobicContact CZ-CE1 3.63Å; F421-F580 AromaticContact CZ-CZ 3.81Å; F421-F580 HydrophobicContact CZ-CZ 3.81Å; F547-F580 HydrophobicContact CE2-CD1 4.42Å; F547-F580 AromaticContact CE2-CD2 3.8Å; F547-F580 HydrophobicContact CE2-CD2 3.8Å; F547-F580 AromaticContact CE2-CE2 3.94Å; F547-F580 HydrophobicContact CE2-CE2 3.94Å; F547-F580 HydrophobicContact CE2-CG 4.06Å; F547-F580 HydrophobicContact CE2-CZ 4.29Å; F547-F580 HydrophobicContact CZ-CD2 4.02Å; F547-F580 AromaticContact CZ-CE2 3.93Å; F547-F580 HydrophobicContact CZ-CE2 3.93Å; Y549-F580 AromaticContact CD2-CD1 3.49Å; Y549-F580 HydrophobicContact CD2-CD1 3.49Å; Y549-F580 VanDerWaalsContact CD2-CD1 3.49Å; Y549-F580 AromaticContact CD2-CE1 3.66Å; Y549-F580 HydrophobicContact CD2-CE1 3.66Å; Y549-F580 HydrophobicContact CD2-CG 4.2Å; Y549-F580 HydrophobicContact CE2-CB 4.16Å; Y549-F580 AromaticContact CE2-CD1 3.65Å; Y549-F580 HydrophobicContact CE2-CD1 3.65Å; Y549-F580 HydrophobicContact CE2-CE1 4.29Å; Y549-F580 HydrophobicContact CE2-CG 4.02Å; Q578-F580 PolarHBondContact O-N 2.93Å; F580-K584 HydrophobicContact CE1-CD 4.34Å; F580-K584 VanDerWaalsContact CZ-CE 3.45Å; F580-K584 VanDerWaalsContact O-CE 3.28Å; F580-K584 WeakPolarHBondContact O-CE 2.99Å
581	F	90.9	Very high	92.8	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.009	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-95.3	-8.2	-179.4	-72.6	-73.5	0	0	0	113.2	F421 Y549 R575 Q578 V579 D583 K584 L590	F421-F581 HydrophobicContact CD1-CE1 4Å; F421-F581 HydrophobicContact CE1-CE1 4.08Å; F421-F581 HydrophobicContact CE1-CZ 4.38Å; Y549-F581 AromaticContact CD2-CE2 3.6Å; Y549-F581 HydrophobicContact CD2-CE2 3.6Å; Y549-F581 AromaticContact CD2-CZ 3.69Å; Y549-F581 HydrophobicContact CD2-CZ 3.69Å; Y549-F581 HydrophobicContact CE2-CD2 4.35Å; Y549-F581 AromaticContact CE2-CE2 3.56Å; Y549-F581 HydrophobicContact CE2-CE2 3.56Å; Y549-F581 HydrophobicContact CE2-CZ 4.16Å; Y549-F581 HydrophobicContact CG-CE2 4.12Å; Y549-F581 HydrophobicContact CG-CZ 4Å; R575-F581 HydrophobicContact CB-CB 4.4Å; R575-F581 VanDerWaalsContact CG-O 3.31Å; R575-F581 WeakPolarHBondContact CG-O 3.28Å; Q578-F581 HydrophobicContact CB-CD2 3.88Å; Q578-F581 PolarHBondContact O-N 3.2Å; V579-F581 PolarHBondContact O-N 2.98Å; F581-D583 VanDerWaalsContact C-N 3.26Å; F581-D583 PolarHBondContact O-N 3.38Å; F581-D583 VanDerWaalsContact O-N 3.12Å; F581-K584 HydrophobicContact CD1-CD 3.73Å; F581-K584 HydrophobicContact CD1-CG 4.44Å; F581-K584 HydrophobicContact CE1-CD 4.1Å; F581-K584 PolarHBondContact O-N 2.84Å; F581-L590 HydrophobicContact CE1-CD1 4.07Å; F581-L590 HydrophobicContact CE2-CD1 4.33Å; F581-L590 HydrophobicContact CE2-CD2 4.33Å; F581-L590 HydrophobicContact CZ-CD1 3.74Å; F581-L590 HydrophobicContact CZ-CD2 3.72Å; F581-L590 HydrophobicContact CZ-CG 4.36Å
582	S	88.8	Confident	92.9	Very high	57 Å²	57	45.4 Å²	45.4	40%	0.399	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-38.5	-169.5	62.2	0	0	0	0	114.7	R575 Q578 V579	R575-S582 WeakPolarHBondContact CD-O 3.29Å; R575-S582 PolarHBondContact NH1-O 2.84Å; R575-S582 VanDerWaalsContact NH1-O 3.09Å; Q578-S582 PolarHBondContact O-N 2.03Å; V579-S582 WeakPolarHBondContact O-CB 3.02Å; V579-S582 PolarHBondContact O-N 3.01Å; V579-S582 VanDerWaalsContact O-N 3.12Å; V579-S582 PolarHBondContact O-OG 2.94Å
583	D	87.2	Confident	93	Very high	52 Å²	52	43.1 Å²	43.1	28%	0.278	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-5.3	-178	66.7	-22.7	0	0	0	114.2	W434 F581	W434-D583 VanDerWaalsContact CD1-O 3.3Å; W434-D583 VanDerWaalsContact CD1-OD2 3.3Å; W434-D583 PolarHBondContact NE1-OD2 3.19Å; F581-D583 VanDerWaalsContact C-N 3.26Å; F581-D583 PolarHBondContact O-N 3.38Å; F581-D583 VanDerWaalsContact O-N 3.12Å
584	K	90.6	Very high	93	Very high	33 Å²	33	41.8 Å²	41.8	14%	0.143	24%	0.237	C	C	.	.	S	Bend	trans	-72.3	144.5	-177.2	-63.7	-159.7	-169	-56.3	0	111.3	F421 F580 F581 T586	F421-K584 HydrophobicContact CB-CD 4.22Å; F421-K584 HydrophobicContact CD2-CD 3.69Å; F421-K584 HydrophobicContact CE2-CD 4.21Å; F421-K584 HydrophobicContact CG-CD 3.89Å; F580-K584 HydrophobicContact CE1-CD 4.34Å; F580-K584 VanDerWaalsContact CZ-CE 3.45Å; F580-K584 VanDerWaalsContact O-CE 3.28Å; F580-K584 WeakPolarHBondContact O-CE 2.99Å; F581-K584 HydrophobicContact CD1-CD 3.73Å; F581-K584 HydrophobicContact CD1-CG 4.44Å; F581-K584 HydrophobicContact CE1-CD 4.1Å; F581-K584 PolarHBondContact O-N 2.84Å; K584-T586 HydrophobicContact CB-CG2 4.28Å; K584-T586 PolarHBondContact O-N 3.21Å
585	P	92.8	Very high	93.2	Very high	4 Å²	4	42 Å²	42	3%	0.026	24%	0.238	C	C	.	.	S	Bend	trans	-80.1	42.5	-174.3	35	-36.1	0	0	0	113.1	T423 E424 Y427 W434	T423-P585 WeakPolarHBondContact CA-O 3.36Å; T423-P585 HydrophobicContact CG2-CB 4.19Å; T423-P585 VanDerWaalsContact OG1-CG 3.29Å; T423-P585 WeakPolarHBondContact OG1-CG 3.27Å; E424-P585 PolarHBondContact N-O 3.14Å; Y427-P585 WeakPolarHBondContact CD2-O 3.44Å; Y427-P585 VanDerWaalsContact CG-C 3.48Å; Y427-P585 HydrophobicContact CG-CB 4.21Å; W434-P585 HydrophobicContact CB-CG 4.32Å
586	T	91.7	Very high	93.2	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	23%	0.225	C	C	.	.			trans	-151.2	144.3	-179.1	174.7	0	0	0	0	111.2	E424 K584 R588	E424-T586 PolarHBondContact OE1-OG1 2.93Å; K584-T586 HydrophobicContact CB-CG2 4.28Å; K584-T586 PolarHBondContact O-N 3.21Å; T586-R588 WeakPolarHBondContact OG1-CB 3.15Å; T586-R588 PolarHBondContact OG1-N 3.38Å; T586-R588 VanDerWaalsContact OG1-N 3.07Å
587	S	91.4	Very high	93.4	Very high	53 Å²	53	33.2 Å²	33.2	37%	0.371	19%	0.188	S	C	.	.			trans	-98.2	-0.6	172.7	-40.8	0	0	0	0	112.2	E424 Y427 S589	E424-S587 PolarHBondContact OE1-N 2.71Å; E424-S587 WeakPolarHBondContact OE2-CB 3.13Å; E424-S587 PolarHBondContact OE2-N 3.13Å; E424-S587 PolarHBondContact OE2-OG 2.86Å; E424-S587 VanDerWaalsContact OE2-OG 3.09Å; Y427-S587 WeakPolarHBondContact CE2-OG 3.42Å; Y427-S587 PolarHBondContact OH-OG 3.07Å; S587-S589 PolarHBondContact O-N 3.46Å
588	R	93.1	Very high	93.4	Very high	39 Å²	39	32 Å²	32	15%	0.147	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-52.9	132	-179.9	-176.4	173.7	61.8	93.4	-3.3	110.9	E424 H450 E550 T586	E424-R588 PolarHBondContact OE1-N 3.46Å; E424-R588 VanDerWaalsContact OE1-N 3.1Å; H450-R588 PolarHBondContact CD2-NH2 3.23Å; H450-R588 VanDerWaalsContact CD2-NH2 3.32Å; H450-R588 VanDerWaalsContact CG-CZ 3.4Å; H450-R588 WeakPolarHBondContact O-CD 2.81Å; E550-R588 IonicContact OE1-CZ 3.59Å; E550-R588 IonicContact OE1-NH1 3.24Å; E550-R588 PolarHBondContact OE1-NH1 2.9Å; E550-R588 IonicContact OE1-NH2 3.7Å; E550-R588 IonicContact OE2-CZ 3.94Å; E550-R588 IonicContact OE2-NH1 3.39Å; E550-R588 PolarHBondContact OE2-NH1 2.93Å; E550-R588 IonicContact OE2-NH2 2.74Å; E550-R588 PolarHBondContact OE2-NH2 2.9Å; T586-R588 WeakPolarHBondContact OG1-CB 3.15Å; T586-R588 PolarHBondContact OG1-N 3.38Å; T586-R588 VanDerWaalsContact OG1-N 3.07Å
589	S	93.8	Very high	93.2	Very high	63 Å²	63	33 Å²	33	44%	0.441	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-98.9	135.7	175.7	-59.1	0	0	0	0	110.4	H573 S574 S587	H573-S589 CarbonylContact O-C 3.51Å; H573-S589 WeakPolarHBondContact O-CA 2.98Å; S574-S589 VanDerWaalsContact CB-OG 3.25Å; S574-S589 WeakPolarHBondContact CB-OG 3.39Å; S587-S589 PolarHBondContact O-N 3.46Å
590	L	96.3	Very high	92.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.4	178.8	-77.5	69	0	0	0	109.7	Y549 E550 F569 P572 H573 F581 P595	Y549-L590 HydrophobicContact CD1-CD2 4.12Å; Y549-L590 HydrophobicContact CG-CD2 4.13Å; E550-L590 HydrophobicContact CG-CD2 4.19Å; F569-L590 HydrophobicContact CD2-CB 4.4Å; P572-L590 CarbonylContact C-O 3.39Å; P572-L590 VanDerWaalsContact CA-O 3.26Å; P572-L590 WeakPolarHBondContact CA-O 3.4Å; P572-L590 WeakPolarHBondContact CB-O 3.45Å; H573-L590 HydrophobicContact CB-CB 4.47Å; H573-L590 PolarHBondContact N-O 2.89Å; H573-L590 PolarHBondContact O-N 3.01Å; F581-L590 HydrophobicContact CE1-CD1 4.07Å; F581-L590 HydrophobicContact CE2-CD1 4.33Å; F581-L590 HydrophobicContact CE2-CD2 4.33Å; F581-L590 HydrophobicContact CZ-CD1 3.74Å; F581-L590 HydrophobicContact CZ-CD2 3.72Å; F581-L590 HydrophobicContact CZ-CG 4.36Å; L590-P595 HydrophobicContact CB-CG 3.98Å; L590-P595 HydrophobicContact CD2-CG 4.44Å; L590-P595 HydrophobicContact CG-CG 3.94Å
591	T	97	Very high	92.9	Very high	51 Å²	51	24.6 Å²	24.6	31%	0.313	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-20.2	179.1	47	0	0	0	0	113.7	F569 P572 E598	F569-T591 PolarHBondContact N-O 3.11Å; P572-T591 HydrophobicContact CG-CG2 4.39Å; T591-E598 WeakPolarHBondContact CB-OE2 3.35Å; T591-E598 PolarHBondContact OG1-OE2 2.05Å
592	S	98	Very high	92.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	175.4	178	62.7	0	0	0	0	110.8	N566 P567 F569 H594 P595 E598	N566-S592 WeakPolarHBondContact ND2-CB 3.23Å; N566-S592 PolarHBondContact ND2-OG 2.9Å; P567-S592 CarbonylContact O-C 3.31Å; P567-S592 WeakPolarHBondContact O-CA 3.48Å; P567-S592 VanDerWaalsContact O-CB 3.27Å; P567-S592 WeakPolarHBondContact O-CB 3.32Å; F569-S592 VanDerWaalsContact CD2-C 3.43Å; F569-S592 WeakPolarHBondContact CD2-O 3.44Å; F569-S592 WeakPolarHBondContact CE2-O 3.14Å; S592-H594 PolarHBondContact O-N 3.47Å; S592-P595 WeakPolarHBondContact O-CD 2.99Å; S592-E598 WeakPolarHBondContact CB-OE2 3.05Å; S592-E598 PolarHBondContact OG-OE2 3.18Å
593	Q	97.7	Very high	92.9	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.15	C	C	.	.	S	Bend	trans	-56.8	-31.4	174.8	-175.2	174.8	-0.9	0	0	111.8	Y483 G544 P548 E550 N566 P567 F569	Y483-Q593 VanDerWaalsContact CD1-NE2 3.34Å; G544-Q593 VanDerWaalsContact C-OE1 3.32Å; P548-Q593 WeakPolarHBondContact O-CG 3.45Å; P548-Q593 PolarHBondContact O-NE2 2.73Å; E550-Q593 PolarHBondContact N-O 3.4Å; N566-Q593 WeakPolarHBondContact OD1-CB 3.49Å; N566-Q593 PolarHBondContact OD1-N 3.12Å; P567-Q593 VanDerWaalsContact CD-OE1 3.28Å; P567-Q593 HydrophobicContact CG-CB 4.48Å; P567-Q593 PolarHBondContact O-N 3.47Å; F569-Q593 HydrophobicContact CE2-CB 4.47Å; F569-Q593 VanDerWaalsContact CE2-N 3.29Å; F569-Q593 VanDerWaalsContact CZ-CA 3.44Å; F569-Q593 HydrophobicContact CZ-CB 3.87Å; F569-Q593 VanDerWaalsContact CZ-N 3.35Å
594	H	97.7	Very high	93	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.151	C	C	.	.			trans	-141	81.3	-179.7	-157.4	-47.6	0	0	0	112.7	F448 G551 F564 N566 S592 Y596 I597 E598	F448-H594 AromaticContact CD1-CE1 3.9Å; F448-H594 AromaticContact CE1-CE1 3.25Å; F448-H594 WeakPolarHBondContact CE1-CE1 3.25Å; F448-H594 AromaticContact CE1-NE2 3.61Å; F448-H594 AromaticContact CZ-CE1 3.37Å; F448-H594 WeakPolarHBondContact CZ-CE1 3.22Å; F448-H594 AromaticContact CZ-NE2 3.27Å; F448-H594 VanDerWaalsContact CZ-NE2 3.27Å; F448-H594 WeakPolarHBondContact CZ-NE2 3.34Å; G551-H594 PolarHBondContact O-NE2 3.36Å; F564-H594 HydrophobicContact CE1-CB 4.02Å; N566-H594 PolarHBondContact ND2-O 2.97Å; N566-H594 PolarHBondContact OD1-N 2.56Å; N566-H594 VanDerWaalsContact OD1-N 3.11Å; S592-H594 PolarHBondContact O-N 3.47Å; H594-Y596 VanDerWaalsContact C-N 3.28Å; H594-Y596 PolarHBondContact O-N 3.38Å; H594-I597 HydrophobicContact CB-CB 4.25Å; H594-I597 HydrophobicContact CB-CD1 4.11Å; H594-I597 HydrophobicContact CB-CG1 4.4Å; H594-I597 VanDerWaalsContact CD2-CD1 3.49Å; H594-I597 WeakPolarHBondContact CD2-CD1 3.43Å; H594-I597 WeakPolarHBondContact ND1-CG1 3.12Å; H594-I597 PolarHBondContact ND1-N 2.94Å; H594-I597 PolarHBondContact O-N 3.35Å; H594-E598 PolarHBondContact O-N 3.09Å; H594-E598 VanDerWaalsContact O-N 3.09Å
595	P	95.8	Very high	93.1	Very high	12 Å²	12	27.4 Å²	27.4	8%	0.078	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-30.6	-175.3	-26.7	37	0	0	0	114.7	L590 S592 E598 N599	L590-P595 HydrophobicContact CB-CG 3.98Å; L590-P595 HydrophobicContact CD2-CG 4.44Å; L590-P595 HydrophobicContact CG-CG 3.94Å; S592-P595 WeakPolarHBondContact O-CD 2.99Å; P595-E598 PolarHBondContact O-N 3.19Å; P595-N599 WeakPolarHBondContact O-CB 3.27Å; P595-N599 PolarHBondContact O-N 3.02Å; P595-N599 PolarHBondContact O-ND2 3Å; P595-N599 VanDerWaalsContact O-ND2 3.12Å
596	Y	94.3	Very high	93.2	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.035	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-45.5	172.6	173.7	-87	0	0	0	111.8	F448 P449 L555 H594 N599 H600 I601 P635 E637 Y638	F448-Y596 AromaticContact CD1-CD1 3.93Å; F448-Y596 HydrophobicContact CD1-CD1 3.93Å; F448-Y596 HydrophobicContact CD1-CD2 4.07Å; F448-Y596 AromaticContact CD1-CG 3.58Å; F448-Y596 HydrophobicContact CD1-CG 3.58Å; F448-Y596 HydrophobicContact CE1-CD1 4.06Å; F448-Y596 HydrophobicContact CE1-CG 4.17Å; P449-Y596 HydrophobicContact CG-CD2 3.85Å; P449-Y596 HydrophobicContact CG-CE2 3.89Å; L555-Y596 HydrophobicContact CD1-CD1 4.34Å; L555-Y596 HydrophobicContact CD1-CE1 4.24Å; L555-Y596 HydrophobicContact CD2-CD1 4.23Å; L555-Y596 HydrophobicContact CD2-CE1 4.06Å; H594-Y596 VanDerWaalsContact C-N 3.28Å; H594-Y596 PolarHBondContact O-N 3.38Å; Y596-N599 PolarHBondContact O-N 3.15Å; Y596-H600 HydrophobicContact CD2-CB 4.29Å; Y596-H600 AromaticContact CD2-CD2 3.66Å; Y596-H600 AromaticContact CD2-CE1 3.75Å; Y596-H600 AromaticContact CD2-CG 3.72Å; Y596-H600 AromaticContact CD2-ND1 3.75Å; Y596-H600 AromaticContact CD2-NE2 3.65Å; Y596-H600 HydrophobicContact CE1-CB 4.23Å; Y596-H600 HydrophobicContact CE2-CB 3.94Å; Y596-H600 AromaticContact CE2-CD2 3.24Å; Y596-H600 WeakPolarHBondContact CE2-CD2 3.48Å; Y596-H600 AromaticContact CE2-CG 3.56Å; Y596-H600 AromaticContact CE2-NE2 3.64Å; Y596-H600 AromaticContact CZ-CD2 3.95Å; Y596-H600 VanDerWaalsContact O-CB 3.24Å; Y596-H600 WeakPolarHBondContact O-CB 3.46Å; Y596-H600 PolarHBondContact O-N 2.98Å; Y596-H600 PolarHBondContact O-ND1 2.86Å; Y596-I601 HydrophobicContact CE1-CD1 4.2Å; Y596-I601 HydrophobicContact CE1-CG1 4.25Å; Y596-P635 HydrophobicContact CE1-CG 4.44Å; Y596-E637 VanDerWaalsContact CE2-OE1 3.23Å; Y596-E637 WeakPolarHBondContact CE2-OE1 3.23Å; Y596-E637 VanDerWaalsContact CZ-OE1 3.27Å; Y596-E637 PolarHBondContact OH-OE1 3.04Å; Y596-Y638 HydrophobicContact CD1-CE2 4.49Å; Y596-Y638 HydrophobicContact CE1-CD2 4.42Å; Y596-Y638 AromaticContact CE1-CE2 3.67Å; Y596-Y638 HydrophobicContact CE1-CE2 3.67Å; Y596-Y638 AromaticContact CE2-CE2 3.95Å; Y596-Y638 HydrophobicContact CE2-CE2 3.95Å; Y596-Y638 AromaticContact CZ-CE2 3.37Å; Y596-Y638 VanDerWaalsContact OH-CE2 3.28Å; Y596-Y638 WeakPolarHBondContact OH-CE2 3.47Å
597	I	94.9	Very high	93.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.1	-42	178.6	-70.8	172.7	0	0	0	110	P554 L555 I558 F564 H594 N599 I601 G602 S606	P554-I597 HydrophobicContact CB-CD1 3.46Å; P554-I597 VanDerWaalsContact CB-CD1 3.46Å; L555-I597 HydrophobicContact CD2-CD1 3.9Å; L555-I597 HydrophobicContact CD2-CG1 3.62Å; L555-I597 HydrophobicContact CG-CD1 4.13Å; L555-I597 HydrophobicContact CG-CG1 4.22Å; I558-I597 HydrophobicContact CD1-CD1 3.88Å; I558-I597 HydrophobicContact CD1-CG1 4.26Å; I558-I597 HydrophobicContact CD1-CG2 3.85Å; F564-I597 HydrophobicContact CD1-CD1 4.06Å; F564-I597 HydrophobicContact CD1-CG2 4.22Å; F564-I597 HydrophobicContact CE1-CD1 4.41Å; H594-I597 HydrophobicContact CB-CB 4.25Å; H594-I597 HydrophobicContact CB-CD1 4.11Å; H594-I597 HydrophobicContact CB-CG1 4.4Å; H594-I597 VanDerWaalsContact CD2-CD1 3.49Å; H594-I597 WeakPolarHBondContact CD2-CD1 3.43Å; H594-I597 WeakPolarHBondContact ND1-CG1 3.12Å; H594-I597 PolarHBondContact ND1-N 2.94Å; H594-I597 PolarHBondContact O-N 3.35Å; I597-N599 PolarHBondContact O-N 2.86Å; I597-I601 HydrophobicContact CG1-CD1 4.21Å; I597-I601 HydrophobicContact CG2-CB 4.3Å; I597-I601 WeakPolarHBondContact O-CB 3.22Å; I597-I601 PolarHBondContact O-N 2.93Å; I597-I601 VanDerWaalsContact O-N 3.13Å; I597-G602 PolarHBondContact O-N 2.9Å; I597-S606 WeakPolarHBondContact CG2-OG 3.46Å
598	E	94.3	Very high	93.6	Very high	41 Å²	41	27.1 Å²	27.1	19%	0.192	15%	0.147	C	C	.	.	H	α-helix	trans	-54	-51.2	173.9	175.6	176.6	-165.3	0	0	112.1	T591 S592 H594 P595 L608	T591-E598 WeakPolarHBondContact CB-OE2 3.35Å; T591-E598 PolarHBondContact OG1-OE2 2.05Å; S592-E598 WeakPolarHBondContact CB-OE2 3.05Å; S592-E598 PolarHBondContact OG-OE2 3.18Å; H594-E598 PolarHBondContact O-N 3.09Å; H594-E598 VanDerWaalsContact O-N 3.09Å; P595-E598 PolarHBondContact O-N 3.19Å; E598-L608 HydrophobicContact CB-CD2 4.33Å; E598-L608 HydrophobicContact CG-CD1 3.99Å; E598-L608 HydrophobicContact CG-CD2 4Å; E598-L608 HydrophobicContact CG-CG 4.33Å; E598-L608 WeakPolarHBondContact OE1-CD1 3.43Å
599	N	88.8	Confident	93.8	Very high	77 Å²	77	25.3 Å²	25.3	41%	0.412	14%	0.14	S	C	.	.	H	α-helix	trans	-87.1	-31.2	-169.7	-65.2	-35.4	0	0	0	114	P595 Y596 I597 N761	P595-N599 WeakPolarHBondContact O-CB 3.27Å; P595-N599 PolarHBondContact O-N 3.02Å; P595-N599 PolarHBondContact O-ND2 3Å; P595-N599 VanDerWaalsContact O-ND2 3.12Å; Y596-N599 PolarHBondContact O-N 3.15Å; I597-N599 PolarHBondContact O-N 2.86Å; N599-N761 PolarHBondContact O-ND2 3.09Å
600	H	86.2	Confident	93.9	Very high	17 Å²	17	25 Å²	25	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-108.9	-20	-170.2	-58.1	56.2	0	0	0	113.8	Y596 S759 Y764	Y596-H600 HydrophobicContact CD2-CB 4.29Å; Y596-H600 AromaticContact CD2-CD2 3.66Å; Y596-H600 AromaticContact CD2-CE1 3.75Å; Y596-H600 AromaticContact CD2-CG 3.72Å; Y596-H600 AromaticContact CD2-ND1 3.75Å; Y596-H600 AromaticContact CD2-NE2 3.65Å; Y596-H600 HydrophobicContact CE1-CB 4.23Å; Y596-H600 HydrophobicContact CE2-CB 3.94Å; Y596-H600 AromaticContact CE2-CD2 3.24Å; Y596-H600 WeakPolarHBondContact CE2-CD2 3.48Å; Y596-H600 AromaticContact CE2-CG 3.56Å; Y596-H600 AromaticContact CE2-NE2 3.64Å; Y596-H600 AromaticContact CZ-CD2 3.95Å; Y596-H600 VanDerWaalsContact O-CB 3.24Å; Y596-H600 WeakPolarHBondContact O-CB 3.46Å; Y596-H600 PolarHBondContact O-N 2.98Å; Y596-H600 PolarHBondContact O-ND1 2.86Å; H600-S759 PolarHBondContact O-OG 2.71Å; H600-Y764 AromaticContact CD2-CD1 3.48Å; H600-Y764 VanDerWaalsContact CD2-CD1 3.48Å; H600-Y764 WeakPolarHBondContact CD2-CD1 3.29Å; H600-Y764 AromaticContact CD2-CE1 2.94Å; H600-Y764 WeakPolarHBondContact CD2-CE1 3.41Å; H600-Y764 AromaticContact CD2-CZ 3.51Å; H600-Y764 AromaticContact CE1-CE1 3.63Å; H600-Y764 AromaticContact CE1-CE2 3.94Å; H600-Y764 AromaticContact CE1-CZ 3.28Å; H600-Y764 PolarHBondContact CE1-OH 3.01Å; H600-Y764 AromaticContact CG-CD1 3.9Å; H600-Y764 AromaticContact CG-CE1 3.69Å; H600-Y764 AromaticContact ND1-CZ 3.95Å; H600-Y764 AromaticContact NE2-CD1 3.91Å; H600-Y764 AromaticContact NE2-CE1 2.93Å; H600-Y764 WeakPolarHBondContact NE2-CE1 3.42Å; H600-Y764 AromaticContact NE2-CZ 2.98Å; H600-Y764 PolarHBondContact NE2-OH 3.47Å
601	I	89.4	Confident	93.7	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-63	-177.9	-54.6	-166.3	0	0	0	110.2	L555 I558 Y596 I597 Y605 Y633 P635 P760	L555-I601 HydrophobicContact CD2-CD1 3.35Å; I558-I601 HydrophobicContact CD1-CD1 4.42Å; Y596-I601 HydrophobicContact CE1-CD1 4.2Å; Y596-I601 HydrophobicContact CE1-CG1 4.25Å; I597-I601 HydrophobicContact CG1-CD1 4.21Å; I597-I601 HydrophobicContact CG2-CB 4.3Å; I597-I601 WeakPolarHBondContact O-CB 3.22Å; I597-I601 PolarHBondContact O-N 2.93Å; I597-I601 VanDerWaalsContact O-N 3.13Å; I601-Y605 HydrophobicContact CG2-CD2 3.9Å; I601-Y605 HydrophobicContact CG2-CG 4.18Å; I601-Y633 HydrophobicContact CB-CE1 4.44Å; I601-Y633 HydrophobicContact CD1-CD1 4.27Å; I601-Y633 HydrophobicContact CD1-CE1 4.09Å; I601-Y633 HydrophobicContact CG1-CE1 4Å; I601-Y633 HydrophobicContact CG2-CD1 3.82Å; I601-Y633 HydrophobicContact CG2-CE1 3.98Å; I601-P635 HydrophobicContact CD1-CG 3.79Å; I601-P635 HydrophobicContact CG1-CG 4.27Å; I601-P760 WeakPolarHBondContact O-CG 3.37Å
602	G	89.6	Confident	93.5	Very high	16 Å²	16	31.5 Å²	31.5	17%	0.165	16%	0.163	C	C	.	.			trans	59.5	-157.2	178.9	0	0	0	0	0	114.5	I597 Y605 S606	I597-G602 PolarHBondContact O-N 2.9Å; G602-Y605 PolarHBondContact O-N 3.22Å; G602-Y605 VanDerWaalsContact O-N 3.14Å; G602-S606 CarbonylContact C-O 3.56Å; G602-S606 PolarHBondContact O-N 3.4Å
603	E	90.4	Very high	93.4	Very high	96 Å²	96	34.7 Å²	34.7	45%	0.449	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	144.3	176.4	-61.1	-173.4	-167.6	0	0	110.3	S606 Y607 R623	E603-S606 WeakPolarHBondContact CA-O 3.42Å; E603-S606 WeakPolarHBondContact CG-O 3.23Å; E603-S606 PolarHBondContact N-O 2.81Å; E603-Y607 HydrophobicContact CB-CE1 4.21Å; E603-Y607 VanDerWaalsContact CD-CD1 3.41Å; E603-Y607 HydrophobicContact CG-CD1 3.58Å; E603-Y607 HydrophobicContact CG-CE1 3.58Å; E603-Y607 HydrophobicContact CG-CG 4.24Å; E603-Y607 WeakPolarHBondContact OE1-CD1 3.49Å; E603-Y607 WeakPolarHBondContact OE2-CE1 3.39Å; E603-R623 VanDerWaalsContact CD-NH2 3.28Å; E603-R623 IonicContact OE1-CZ 3.66Å; E603-R623 IonicContact OE1-NH1 2.96Å; E603-R623 IonicContact OE1-NH2 3.29Å; E603-R623 PolarHBondContact OE1-NH2 3.47Å; E603-R623 IonicContact OE2-CZ 3.92Å; E603-R623 IonicContact OE2-NH1 3.37Å; E603-R623 PolarHBondContact OE2-NH1 3.08Å; E603-R623 IonicContact OE2-NH2 3.91Å; E603-R623 PolarHBondContact OE2-NH2 2.88Å
604	P	90.5	Very high	93.3	Very high	45 Å²	45	38 Å²	38	29%	0.292	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.8	2.9	7.8	36.7	-36.8	0	0	0	114.6	Y607	P604-Y607 WeakPolarHBondContact O-CE2 3.5Å
605	Y	92.4	Very high	93.3	Very high	47 Å²	47	42.6 Å²	42.6	18%	0.184	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-24	-174.3	-56.5	-71.4	0	0	0	113.5	I558 I563 F564 I601 G602 G631 Y633 P760	I558-Y605 HydrophobicContact CG2-CD1 4.18Å; I558-Y605 HydrophobicContact CG2-CG 4.07Å; I563-Y605 CarbonylContact C-O 3.49Å; I563-Y605 WeakPolarHBondContact CA-O 3.15Å; F564-Y605 PolarHBondContact N-O 3.27Å; I601-Y605 HydrophobicContact CG2-CD2 3.9Å; I601-Y605 HydrophobicContact CG2-CG 4.18Å; G602-Y605 PolarHBondContact O-N 3.22Å; G602-Y605 VanDerWaalsContact O-N 3.14Å; Y605-G631 WeakPolarHBondContact CE1-O 3.25Å; Y605-Y633 HydrophobicContact CD2-CD1 4.05Å; Y605-Y633 HydrophobicContact CD2-CG 4.19Å; Y605-Y633 VanDerWaalsContact CE1-CB 3.45Å; Y605-Y633 HydrophobicContact CE1-CG 4.45Å; Y605-Y633 HydrophobicContact CE2-CD1 4.13Å; Y605-Y633 HydrophobicContact CE2-CD2 4.49Å; Y605-Y633 AromaticContact CE2-CG 3.87Å; Y605-Y633 HydrophobicContact CE2-CG 3.87Å; Y605-Y633 VanDerWaalsContact CZ-CB 3.43Å; Y605-P760 HydrophobicContact CD2-CG 3.96Å; Y605-P760 HydrophobicContact CE2-CB 3.99Å; Y605-P760 HydrophobicContact CE2-CG 3.73Å
606	S	94.1	Very high	93.3	Very high	5 Å²	5	44.6 Å²	44.6	4%	0.035	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	142.6	175.1	-174.4	0	0	0	0	111.3	F564 I597 G602 E603	F564-S606 CarbonylContact O-C 3.51Å; F564-S606 WeakPolarHBondContact O-CA 3.27Å; F564-S606 WeakPolarHBondContact O-CB 3.13Å; F564-S606 PolarHBondContact O-OG 2.92Å; I597-S606 WeakPolarHBondContact CG2-OG 3.46Å; G602-S606 CarbonylContact C-O 3.56Å; G602-S606 PolarHBondContact O-N 3.4Å; E603-S606 WeakPolarHBondContact CA-O 3.42Å; E603-S606 WeakPolarHBondContact CG-O 3.23Å; E603-S606 PolarHBondContact N-O 2.81Å
607	Y	95.3	Very high	93.4	Very high	10 Å²	10	44.2 Å²	44.2	4%	0.039	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.7	179.3	-67.8	-93.1	0	0	0	109.8	I563 F564 N566 E603 P604 T620 R623 I624	I563-Y607 HydrophobicContact CD1-CE2 4.5Å; I563-Y607 HydrophobicContact CG2-CD2 3.41Å; I563-Y607 VanDerWaalsContact CG2-CD2 3.41Å; I563-Y607 HydrophobicContact CG2-CE2 3.61Å; F564-Y607 PolarHBondContact O-N 3.19Å; N566-Y607 PolarHBondContact N-O 2.99Å; E603-Y607 HydrophobicContact CB-CE1 4.21Å; E603-Y607 VanDerWaalsContact CD-CD1 3.41Å; E603-Y607 HydrophobicContact CG-CD1 3.58Å; E603-Y607 HydrophobicContact CG-CE1 3.58Å; E603-Y607 HydrophobicContact CG-CG 4.24Å; E603-Y607 WeakPolarHBondContact OE1-CD1 3.49Å; E603-Y607 WeakPolarHBondContact OE2-CE1 3.39Å; P604-Y607 WeakPolarHBondContact O-CE2 3.5Å; Y607-T620 HydrophobicContact CD1-CG2 4.02Å; Y607-T620 HydrophobicContact CG-CG2 4.1Å; Y607-R623 VanDerWaalsContact CE1-NH2 3.32Å; Y607-I624 HydrophobicContact CD1-CD1 4.42Å; Y607-I624 HydrophobicContact CD1-CG1 4.32Å; Y607-I624 HydrophobicContact CD2-CD1 3.52Å; Y607-I624 HydrophobicContact CD2-CG1 3.69Å; Y607-I624 HydrophobicContact CE1-CG1 4.14Å; Y607-I624 HydrophobicContact CE2-CD1 3.89Å; Y607-I624 HydrophobicContact CE2-CG1 3.5Å; Y607-I624 VanDerWaalsContact CE2-CG1 3.5Å; Y607-I624 HydrophobicContact CG-CD1 3.81Å; Y607-I624 HydrophobicContact CG-CG1 4.09Å
608	L	96.6	Very high	93.5	Very high	38 Å²	38	47 Å²	47	20%	0.199	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.3	171.2	-72.7	175.2	0	0	0	109.9	N566 E598 Q616	N566-L608 HydrophobicContact CB-CD2 4.26Å; N566-L608 WeakPolarHBondContact O-CA 3.36Å; E598-L608 HydrophobicContact CB-CD2 4.33Å; E598-L608 HydrophobicContact CG-CD1 3.99Å; E598-L608 HydrophobicContact CG-CD2 4Å; E598-L608 HydrophobicContact CG-CG 4.33Å; E598-L608 WeakPolarHBondContact OE1-CD1 3.43Å; L608-Q616 PolarHBondContact O-NE2 2.95Å
609	V	96.7	Very high	93.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.5	178.2	-65.4	0	0	0	0	110.5	L565 N566 P567 R568 T620	L565-V609 HydrophobicContact CB-CG1 4.37Å; L565-V609 HydrophobicContact CB-CG2 4.26Å; L565-V609 HydrophobicContact CD2-CG1 4.3Å; N566-V609 PolarHBondContact O-N 3.34Å; P567-V609 WeakPolarHBondContact CA-O 3.43Å; P567-V609 HydrophobicContact CG-CG2 4.42Å; R568-V609 PolarHBondContact N-O 3.28Å; V609-T620 HydrophobicContact CG1-CG2 4.37Å
610	D	95.8	Very high	93.9	Very high	57 Å²	57	46.9 Å²	46.9	31%	0.305	24%	0.241	S	C	.	.			trans	-91.3	108.5	166.6	-176	-9.7	0	0	0	107.6	D612 N613 I617	D610-D612 PolarHBondContact O-N 3.12Å; D610-D612 VanDerWaalsContact O-N 3.11Å; D610-D612 PolarHBondContact OD1-N 3.2Å; D610-N613 HydrophobicContact CB-CB 3.9Å; D610-N613 PolarHBondContact O-N 3.47Å; D610-I617 WeakPolarHBondContact O-CD1 3.3Å
611	R	93.4	Very high	94.3	Very high	42 Å²	42	46.1 Å²	46.1	16%	0.158	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.2	-169.9	-63.9	-173.3	-52.6	-113.7	-17.6	113.3	Y496 L545 P567	Y496-R611 HydrophobicContact CD1-CG 4.22Å; Y496-R611 HydrophobicContact CD2-CB 4.26Å; Y496-R611 HydrophobicContact CD2-CG 4.31Å; Y496-R611 HydrophobicContact CE1-CG 4.19Å; Y496-R611 HydrophobicContact CE2-CG 4.3Å; Y496-R611 HydrophobicContact CG-CB 4.25Å; Y496-R611 HydrophobicContact CG-CG 4.27Å; L545-R611 PolarHBondContact O-NH1 2.76Å; P567-R611 HydrophobicContact CB-CG 4.08Å; P567-R611 HydrophobicContact CG-CG 4.34Å
612	D	91.6	Very high	94.5	Very high	146 Å²	146	50.5 Å²	50.5	78%	0.781	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-5.5	-177.6	-58	-41.5	0	0	0	111.9	D610	D610-D612 PolarHBondContact O-N 3.12Å; D610-D612 VanDerWaalsContact O-N 3.11Å; D610-D612 PolarHBondContact OD1-N 3.2Å
613	N	95.7	Very high	94.7	Very high	67 Å²	67	54.4 Å²	54.4	36%	0.358	27%	0.268	S	S	.	.			trans	-102.7	87	178.2	-170.1	-27.5	0	0	0	111.2	D610 T615 Q616 I617	D610-N613 HydrophobicContact CB-CB 3.9Å; D610-N613 PolarHBondContact O-N 3.47Å; N613-T615 VanDerWaalsContact C-N 3.3Å; N613-T615 PolarHBondContact O-N 2.98Å; N613-T615 PolarHBondContact OD1-N 3.14Å; N613-Q616 HydrophobicContact CB-CB 3.94Å; N613-Q616 VanDerWaalsContact CG-CB 3.46Å; N613-Q616 PolarHBondContact O-N 3.31Å; N613-Q616 VanDerWaalsContact O-N 3.15Å; N613-Q616 WeakPolarHBondContact OD1-CB 3.37Å; N613-Q616 PolarHBondContact OD1-N 3.32Å; N613-I617 WeakPolarHBondContact O-CG1 3.38Å; N613-I617 PolarHBondContact O-N 2.79Å
614	E	96	Very high	94.7	Very high	72 Å²	72	49.8 Å²	49.8	34%	0.336	25%	0.247	S	C	.	.	H	α-helix	trans	-55.2	-41.9	-178.4	177.2	166	172.2	0	0	113	I499 Q616 I617 R618	I499-E614 HydrophobicContact CD1-CB 3.8Å; I499-E614 HydrophobicContact CD1-CG 3.63Å; I499-E614 HydrophobicContact CG1-CG 4.02Å; I499-E614 HydrophobicContact CG2-CG 4.3Å; E614-Q616 PolarHBondContact O-N 3.36Å; E614-I617 PolarHBondContact O-N 3.5Å; E614-R618 HydrophobicContact CG-CG 4.39Å; E614-R618 WeakPolarHBondContact O-CG 3.1Å; E614-R618 PolarHBondContact O-N 3.17Å; E614-R618 IonicContact OE1-CZ 3.25Å; E614-R618 VanDerWaalsContact OE1-CZ 3.25Å; E614-R618 IonicContact OE1-NE 3.48Å; E614-R618 PolarHBondContact OE1-NE 3.2Å; E614-R618 IonicContact OE1-NH2 2.8Å; E614-R618 PolarHBondContact OE1-NH2 3.42Å
615	T	96.7	Very high	94.7	Very high	96 Å²	96	50.6 Å²	50.6	59%	0.589	25%	0.248	S	C	*	.	H	α-helix	trans	-61.9	-45.3	178.6	-53.5	0	0	0	0	111.4	N613 I617 R618 L619	N613-T615 VanDerWaalsContact C-N 3.3Å; N613-T615 PolarHBondContact O-N 2.98Å; N613-T615 PolarHBondContact OD1-N 3.14Å; T615-I617 VanDerWaalsContact C-N 3.33Å; T615-I617 PolarHBondContact O-N 3.41Å; T615-R618 PolarHBondContact O-N 3.4Å; T615-L619 HydrophobicContact CG2-CD1 4.04Å; T615-L619 WeakPolarHBondContact O-CG 3.18Å; T615-L619 PolarHBondContact O-N 2.94Å; T615-L619 VanDerWaalsContact O-N 3.07Å
616	Q	96.3	Very high	94.3	Very high	54 Å²	54	53.4 Å²	53.4	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-39.3	178	-171.7	-92.5	-13	0	0	111.7	L608 N613 E614 T620	L608-Q616 PolarHBondContact O-NE2 2.95Å; N613-Q616 HydrophobicContact CB-CB 3.94Å; N613-Q616 VanDerWaalsContact CG-CB 3.46Å; N613-Q616 PolarHBondContact O-N 3.31Å; N613-Q616 VanDerWaalsContact O-N 3.15Å; N613-Q616 WeakPolarHBondContact OD1-CB 3.37Å; N613-Q616 PolarHBondContact OD1-N 3.32Å; E614-Q616 PolarHBondContact O-N 3.36Å; Q616-T620 PolarHBondContact NE2-OG1 2.99Å; Q616-T620 VanDerWaalsContact O-CB 3.25Å; Q616-T620 WeakPolarHBondContact O-CB 3.47Å; Q616-T620 PolarHBondContact O-N 3.1Å; Q616-T620 PolarHBondContact O-OG1 3.04Å
617	I	96.6	Very high	93.3	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-54.5	175.5	-66.1	158.1	0	0	0	110.1	Y496 I499 L500 D610 N613 E614 T615 L619 T620 I621	Y496-I617 HydrophobicContact CD2-CD1 3.71Å; Y496-I617 HydrophobicContact CD2-CG1 4.48Å; Y496-I617 HydrophobicContact CE2-CD1 4.03Å; Y496-I617 HydrophobicContact CE2-CG1 4.32Å; I499-I617 HydrophobicContact CD1-CD1 4.43Å; I499-I617 HydrophobicContact CG2-CB 4.45Å; I499-I617 HydrophobicContact CG2-CG2 3.84Å; L500-I617 HydrophobicContact CD2-CG2 3.78Å; D610-I617 WeakPolarHBondContact O-CD1 3.3Å; N613-I617 WeakPolarHBondContact O-CG1 3.38Å; N613-I617 PolarHBondContact O-N 2.79Å; E614-I617 PolarHBondContact O-N 3.5Å; T615-I617 VanDerWaalsContact C-N 3.33Å; T615-I617 PolarHBondContact O-N 3.41Å; I617-L619 PolarHBondContact O-N 2.88Å; I617-T620 PolarHBondContact O-N 3.3Å; I617-T620 VanDerWaalsContact O-N 3.14Å; I617-I621 HydrophobicContact CG2-CG1 4.26Å; I617-I621 WeakPolarHBondContact O-CG1 3.46Å; I617-I621 PolarHBondContact O-N 3.49Å
618	R	97.1	Very high	92	Very high	59 Å²	59	60 Å²	60	22%	0.223	31%	0.305	C	S	.	.	H	α-helix	trans	-57.8	-48.7	-177	-70.5	-177.2	-179.2	-72.3	-2	112.1	I499 D502 Y503 E614 T615 T620 I621 E622	I499-R618 HydrophobicContact CG2-CG 4Å; D502-R618 IonicContact OD2-CZ 3.35Å; D502-R618 IonicContact OD2-NH1 2.83Å; D502-R618 PolarHBondContact OD2-NH1 2.8Å; D502-R618 IonicContact OD2-NH2 2.94Å; D502-R618 PolarHBondContact OD2-NH2 3.48Å; Y503-R618 HydrophobicContact CE2-CG 4.3Å; E614-R618 HydrophobicContact CG-CG 4.39Å; E614-R618 WeakPolarHBondContact O-CG 3.1Å; E614-R618 PolarHBondContact O-N 3.17Å; E614-R618 IonicContact OE1-CZ 3.25Å; E614-R618 VanDerWaalsContact OE1-CZ 3.25Å; E614-R618 IonicContact OE1-NE 3.48Å; E614-R618 PolarHBondContact OE1-NE 3.2Å; E614-R618 IonicContact OE1-NH2 2.8Å; E614-R618 PolarHBondContact OE1-NH2 3.42Å; T615-R618 PolarHBondContact O-N 3.4Å; R618-T620 VanDerWaalsContact C-N 3.32Å; R618-T620 PolarHBondContact O-N 3.21Å; R618-I621 PolarHBondContact O-N 2.74Å; R618-E622 WeakPolarHBondContact O-CB 3.33Å; R618-E622 WeakPolarHBondContact O-CG 3.27Å; R618-E622 PolarHBondContact O-N 3.21Å
619	L	95.9	Very high	90.3	Very high	106 Å²	106	61.1 Å²	61.1	56%	0.555	32%	0.316	S	S	*	.	H	α-helix	trans	-61.4	-39.3	176.9	-68.6	174.4	0	0	0	112.5	T615 I617 R623	T615-L619 HydrophobicContact CG2-CD1 4.04Å; T615-L619 WeakPolarHBondContact O-CG 3.18Å; T615-L619 PolarHBondContact O-N 2.94Å; T615-L619 VanDerWaalsContact O-N 3.07Å; I617-L619 PolarHBondContact O-N 2.88Å; L619-R623 WeakPolarHBondContact O-CB 3.31Å; L619-R623 PolarHBondContact O-N 3Å; L619-R623 VanDerWaalsContact O-N 3.07Å
620	T	95.4	Very high	88.7	Confident	9 Å²	9	66.4 Å²	66.4	6%	0.055	34%	0.344	C	S	.	.	H	α-helix	trans	-65.7	-44.2	177.5	-59.7	0	0	0	0	111.1	Y607 V609 Q616 I617 R618 R623 I624	Y607-T620 HydrophobicContact CD1-CG2 4.02Å; Y607-T620 HydrophobicContact CG-CG2 4.1Å; V609-T620 HydrophobicContact CG1-CG2 4.37Å; Q616-T620 PolarHBondContact NE2-OG1 2.99Å; Q616-T620 VanDerWaalsContact O-CB 3.25Å; Q616-T620 WeakPolarHBondContact O-CB 3.47Å; Q616-T620 PolarHBondContact O-N 3.1Å; Q616-T620 PolarHBondContact O-OG1 3.04Å; I617-T620 PolarHBondContact O-N 3.3Å; I617-T620 VanDerWaalsContact O-N 3.14Å; R618-T620 VanDerWaalsContact C-N 3.32Å; R618-T620 PolarHBondContact O-N 3.21Å; T620-R623 PolarHBondContact O-N 3.02Å; T620-I624 HydrophobicContact CG2-CD1 4.02Å; T620-I624 VanDerWaalsContact O-CG1 3.28Å; T620-I624 WeakPolarHBondContact O-CG1 3.45Å; T620-I624 PolarHBondContact O-N 2.87Å
621	I	94.9	Very high	87.7	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-66	-43.4	178.5	-63.7	-44.8	0	0	0	111.3	L500 Y503 F504 L565 I617 R618 R623 I624 L625	L500-I621 HydrophobicContact CD2-CD1 3.77Å; L500-I621 HydrophobicContact CD2-CG1 3.66Å; Y503-I621 HydrophobicContact CD1-CG2 3.78Å; Y503-I621 HydrophobicContact CD2-CB 4.47Å; Y503-I621 HydrophobicContact CD2-CG2 3.87Å; Y503-I621 HydrophobicContact CE1-CG2 4.33Å; Y503-I621 HydrophobicContact CE2-CG2 4.43Å; Y503-I621 HydrophobicContact CG-CG2 3.52Å; F504-I621 HydrophobicContact CE2-CD1 3.87Å; F504-I621 HydrophobicContact CE2-CG1 4.16Å; F504-I621 HydrophobicContact CE2-CG2 3.56Å; F504-I621 HydrophobicContact CZ-CD1 4.31Å; F504-I621 HydrophobicContact CZ-CG2 3.71Å; L565-I621 HydrophobicContact CD1-CD1 3.84Å; L565-I621 HydrophobicContact CD2-CD1 4.05Å; I617-I621 HydrophobicContact CG2-CG1 4.26Å; I617-I621 WeakPolarHBondContact O-CG1 3.46Å; I617-I621 PolarHBondContact O-N 3.49Å; R618-I621 PolarHBondContact O-N 2.74Å; I621-R623 VanDerWaalsContact C-N 3.31Å; I621-R623 PolarHBondContact O-N 2.81Å; I621-I624 HydrophobicContact CD1-CD1 4.1Å; I621-I624 WeakPolarHBondContact O-CB 3.14Å; I621-I624 PolarHBondContact O-N 3.19Å; I621-I624 VanDerWaalsContact O-N 3.13Å; I621-L625 HydrophobicContact CG2-CD1 3.99Å; I621-L625 HydrophobicContact CG2-CG 4.16Å; I621-L625 WeakPolarHBondContact O-CG 3.34Å; I621-L625 PolarHBondContact O-N 3.24Å
622	E	93.7	Very high	87.3	Confident	93 Å²	93	66.2 Å²	66.2	44%	0.435	36%	0.355	S	S	.	.	H	α-helix	trans	-57.4	-45.3	175.6	-74.5	167.3	-171.7	0	0	111.2	Y503 R618 I624 L625 T626	Y503-E622 HydrophobicContact CE1-CG 4.05Å; Y503-E622 PolarHBondContact OH-OE1 2.96Å; Y503-E622 VanDerWaalsContact OH-OE1 3.11Å; R618-E622 WeakPolarHBondContact O-CB 3.33Å; R618-E622 WeakPolarHBondContact O-CG 3.27Å; R618-E622 PolarHBondContact O-N 3.21Å; E622-I624 PolarHBondContact O-N 3.23Å; E622-L625 PolarHBondContact O-N 3.25Å; E622-T626 WeakPolarHBondContact O-CG2 3.09Å; E622-T626 PolarHBondContact O-N 3.37Å; E622-T626 PolarHBondContact O-OG1 3.12Å
623	R	92.7	Very high	87.3	Confident	98 Å²	98	59.7 Å²	59.7	37%	0.37	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-38.3	175.1	-175.2	176.6	64	164	2.8	113.2	E603 Y607 L619 T620 I621 T626 N627	E603-R623 VanDerWaalsContact CD-NH2 3.28Å; E603-R623 IonicContact OE1-CZ 3.66Å; E603-R623 IonicContact OE1-NH1 2.96Å; E603-R623 IonicContact OE1-NH2 3.29Å; E603-R623 PolarHBondContact OE1-NH2 3.47Å; E603-R623 IonicContact OE2-CZ 3.92Å; E603-R623 IonicContact OE2-NH1 3.37Å; E603-R623 PolarHBondContact OE2-NH1 3.08Å; E603-R623 IonicContact OE2-NH2 3.91Å; E603-R623 PolarHBondContact OE2-NH2 2.88Å; Y607-R623 VanDerWaalsContact CE1-NH2 3.32Å; L619-R623 WeakPolarHBondContact O-CB 3.31Å; L619-R623 PolarHBondContact O-N 3Å; L619-R623 VanDerWaalsContact O-N 3.07Å; T620-R623 PolarHBondContact O-N 3.02Å; I621-R623 VanDerWaalsContact C-N 3.31Å; I621-R623 PolarHBondContact O-N 2.81Å; R623-T626 WeakPolarHBondContact CA-OG1 3.34Å; R623-T626 PolarHBondContact O-OG1 2.82Å; R623-N627 PolarHBondContact O-N 3.37Å
624	I	91.8	Very high	87.1	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64	-48.1	175.1	-72.5	166.4	0	0	0	109.7	I541 I563 L565 Y607 T620 I621 E622 T626 N627 I628	I541-I624 HydrophobicContact CD1-CG2 3.87Å; I563-I624 HydrophobicContact CD1-CG2 3.68Å; I563-I624 HydrophobicContact CG2-CD1 4.31Å; L565-I624 HydrophobicContact CD2-CD1 3.63Å; Y607-I624 HydrophobicContact CD1-CD1 4.42Å; Y607-I624 HydrophobicContact CD1-CG1 4.32Å; Y607-I624 HydrophobicContact CD2-CD1 3.52Å; Y607-I624 HydrophobicContact CD2-CG1 3.69Å; Y607-I624 HydrophobicContact CE1-CG1 4.14Å; Y607-I624 HydrophobicContact CE2-CD1 3.89Å; Y607-I624 HydrophobicContact CE2-CG1 3.5Å; Y607-I624 VanDerWaalsContact CE2-CG1 3.5Å; Y607-I624 HydrophobicContact CG-CD1 3.81Å; Y607-I624 HydrophobicContact CG-CG1 4.09Å; T620-I624 HydrophobicContact CG2-CD1 4.02Å; T620-I624 VanDerWaalsContact O-CG1 3.28Å; T620-I624 WeakPolarHBondContact O-CG1 3.45Å; T620-I624 PolarHBondContact O-N 2.87Å; I621-I624 HydrophobicContact CD1-CD1 4.1Å; I621-I624 WeakPolarHBondContact O-CB 3.14Å; I621-I624 PolarHBondContact O-N 3.19Å; I621-I624 VanDerWaalsContact O-N 3.13Å; E622-I624 PolarHBondContact O-N 3.23Å; I624-T626 VanDerWaalsContact C-N 3.32Å; I624-T626 PolarHBondContact O-N 2.55Å; I624-N627 CarbonylContact O-C 3.54Å; I624-N627 PolarHBondContact O-N 3.02Å; I624-I628 WeakPolarHBondContact O-CG1 3.47Å; I624-I628 PolarHBondContact O-N 3.04Å
625	L	88.9	Confident	86.9	Confident	61 Å²	61	55.7 Å²	55.7	32%	0.319	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-33.1	-177.7	-68.4	178.6	0	0	0	112.8	P478 Y503 F504 I621 E622 I628	P478-L625 HydrophobicContact CG-CD2 3.95Å; Y503-L625 HydrophobicContact CD1-CD1 3.71Å; Y503-L625 HydrophobicContact CG-CD1 4.38Å; F504-L625 HydrophobicContact CE1-CD2 3.98Å; F504-L625 HydrophobicContact CZ-CD2 4.2Å; I621-L625 HydrophobicContact CG2-CD1 3.99Å; I621-L625 HydrophobicContact CG2-CG 4.16Å; I621-L625 WeakPolarHBondContact O-CG 3.34Å; I621-L625 PolarHBondContact O-N 3.24Å; E622-L625 PolarHBondContact O-N 3.25Å; L625-I628 HydrophobicContact CD2-CD1 3.84Å
626	T	85.2	Confident	86.7	Confident	106 Å²	106	51.3 Å²	51.3	65%	0.65	27%	0.27	S	S	*	.	H	α-helix	trans	-70.6	-33	174.6	52.9	0	0	0	0	113	E622 R623 I624	E622-T626 WeakPolarHBondContact O-CG2 3.09Å; E622-T626 PolarHBondContact O-N 3.37Å; E622-T626 PolarHBondContact O-OG1 3.12Å; R623-T626 WeakPolarHBondContact CA-OG1 3.34Å; R623-T626 PolarHBondContact O-OG1 2.82Å; I624-T626 VanDerWaalsContact C-N 3.32Å; I624-T626 PolarHBondContact O-N 2.55Å
627	N	72.6	Confident	86.5	Confident	105 Å²	105	49 Å²	49	56%	0.561	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	32.9	-171.5	-67.1	-33.1	0	0	0	112.6	R623 I624 S629	R623-N627 PolarHBondContact O-N 3.37Å; I624-N627 CarbonylContact O-C 3.54Å; I624-N627 PolarHBondContact O-N 3.02Å; N627-S629 PolarHBondContact O-N 3.33Å
628	I	69	Low	86.5	Confident	49 Å²	49	48.9 Å²	48.9	25%	0.251	26%	0.258	S	S	.	.			trans	-63.9	90.6	179.3	-55.1	178.2	0	0	0	109	I624 L625	I624-I628 WeakPolarHBondContact O-CG1 3.47Å; I624-I628 PolarHBondContact O-N 3.04Å; L625-I628 HydrophobicContact CD2-CD1 3.84Å
629	S	60.8	Low	86.4	Confident	61 Å²	61	46.6 Å²	46.6	43%	0.427	25%	0.251	S	S	.	.			trans	-86	123.3	166.4	64.8	0	0	0	0	107.5	N627 G631	N627-S629 PolarHBondContact O-N 3.33Å; S629-G631 PolarHBondContact O-N 3.39Å
630	N	61.9	Low	86.5	Confident	111 Å²	111	41.7 Å²	41.7	59%	0.594	23%	0.226	S	C	*	.			trans	-77.4	45	176.6	-74.3	-6.2	0	0	0	111.3
631	G	74.4	Confident	86.6	Confident	25 Å²	25	41.9 Å²	41.9	26%	0.258	23%	0.226	S	C	.	.			trans	-78.1	122.4	-179.3	0	0	0	0	0	111	Y605 S629	Y605-G631 WeakPolarHBondContact CE1-O 3.25Å; S629-G631 PolarHBondContact O-N 3.39Å
632	T	86.3	Confident	86.6	Confident	71 Å²	71	41.9 Å²	41.9	44%	0.436	23%	0.225	S	C	.	.			trans	-83.7	135.9	164.1	54.2	0	0	0	0	109.2
633	Y	90.8	Very high	86.8	Confident	9 Å²	9	37.5 Å²	37.5	4%	0.035	21%	0.205	C	C	.	.			trans	-137.5	128	173.3	177.7	-112.8	0	0	0	111.5	I558 A559 I601 Y605 P635 P758 S759 P760	I558-Y633 CarbonylContact C-O 3.5Å; I558-Y633 HydrophobicContact CG2-CD1 4.43Å; I558-Y633 WeakPolarHBondContact CG2-O 3.46Å; I558-Y633 PolarHBondContact O-N 3.33Å; A559-Y633 VanDerWaalsContact CA-O 3.23Å; A559-Y633 WeakPolarHBondContact CA-O 3.41Å; A559-Y633 PolarHBondContact N-O 3.1Å; I601-Y633 HydrophobicContact CB-CE1 4.44Å; I601-Y633 HydrophobicContact CD1-CD1 4.27Å; I601-Y633 HydrophobicContact CD1-CE1 4.09Å; I601-Y633 HydrophobicContact CG1-CE1 4Å; I601-Y633 HydrophobicContact CG2-CD1 3.82Å; I601-Y633 HydrophobicContact CG2-CE1 3.98Å; Y605-Y633 HydrophobicContact CD2-CD1 4.05Å; Y605-Y633 HydrophobicContact CD2-CG 4.19Å; Y605-Y633 VanDerWaalsContact CE1-CB 3.45Å; Y605-Y633 HydrophobicContact CE1-CG 4.45Å; Y605-Y633 HydrophobicContact CE2-CD1 4.13Å; Y605-Y633 HydrophobicContact CE2-CD2 4.49Å; Y605-Y633 AromaticContact CE2-CG 3.87Å; Y605-Y633 HydrophobicContact CE2-CG 3.87Å; Y605-Y633 VanDerWaalsContact CZ-CB 3.43Å; Y633-P635 HydrophobicContact CD1-CG 4.49Å; Y633-P635 HydrophobicContact CE1-CB 4.49Å; Y633-P635 HydrophobicContact CE1-CG 3.74Å; Y633-P758 VanDerWaalsContact CE2-O 3.24Å; Y633-P758 WeakPolarHBondContact CE2-O 3.28Å; Y633-S759 WeakPolarHBondContact OH-CA 3.29Å; Y633-P760 HydrophobicContact CE1-CG 4.34Å; Y633-P760 VanDerWaalsContact CZ-CD 3.46Å
634	R	92.1	Very high	87.1	Confident	52 Å²	52	32.8 Å²	32.8	20%	0.196	19%	0.187	C	C	.	.			trans	-129.3	116.5	172.3	-178.2	173.4	66.4	-177.3	-2.7	107.6	A461 I463 A559 T757	A461-R634 HydrophobicContact CB-CG 4.23Å; A461-R634 WeakPolarHBondContact O-CD 3.48Å; A461-R634 PolarHBondContact O-NH1 3.04Å; I463-R634 HydrophobicContact CD1-CB 4.32Å; I463-R634 VanDerWaalsContact CD1-CZ 3.49Å; A559-R634 HydrophobicContact CB-CB 4.03Å; A559-R634 HydrophobicContact CB-CG 4.37Å; R634-T757 PolarHBondContact O-OG1 3.11Å
635	P	91.9	Very high	87.2	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.019	19%	0.187	C	C	.	.			trans	-59.3	141.6	173.7	-16.5	25.9	0	0	0	110.4	Y596 I601 Y633 E637 Y638	Y596-P635 HydrophobicContact CE1-CG 4.44Å; I601-P635 HydrophobicContact CD1-CG 3.79Å; I601-P635 HydrophobicContact CG1-CG 4.27Å; Y633-P635 HydrophobicContact CD1-CG 4.49Å; Y633-P635 HydrophobicContact CE1-CB 4.49Å; Y633-P635 HydrophobicContact CE1-CG 3.74Å; P635-E637 VanDerWaalsContact C-N 3.27Å; P635-E637 HydrophobicContact CB-CG 4.31Å; P635-E637 PolarHBondContact O-N 3.22Å; P635-Y638 HydrophobicContact CB-CD2 4.09Å; P635-Y638 HydrophobicContact CG-CD2 4.2Å; P635-Y638 PolarHBondContact O-N 3.11Å
636	H	91.9	Very high	87.6	Confident	4 Å²	4	30 Å²	30	2%	0.019	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-55.8	-39.6	-175	176.4	82.9	0	0	0	113	Y638 S639 W641 G642 E645 R752 N847	H636-Y638 PolarHBondContact O-N 3.27Å; H636-Y638 VanDerWaalsContact O-N 3.12Å; H636-S639 VanDerWaalsContact O-CB 3.32Å; H636-S639 WeakPolarHBondContact O-CB 3.05Å; H636-S639 PolarHBondContact O-N 3.15Å; H636-S639 PolarHBondContact O-OG 3.21Å; H636-W641 AromaticContact CE1-CD2 3.45Å; H636-W641 VanDerWaalsContact CE1-CD2 3.45Å; H636-W641 AromaticContact CE1-CE2 3.78Å; H636-W641 AromaticContact CE1-CE3 3.51Å; H636-W641 AromaticContact CE1-CG 3.88Å; H636-W641 AromaticContact CE1-CZ3 3.91Å; H636-W641 AromaticContact ND1-CE3 3.97Å; H636-G642 WeakPolarHBondContact NE2-CA 3.23Å; H636-G642 WeakPolarHBondContact O-CA 3.4Å; H636-E645 IonicContact NE2-OE1 3.56Å; H636-R752 PolarHBondContact CD2-NH2 2.6Å; H636-R752 VanDerWaalsContact CD2-NH2 3.25Å; H636-N847 HydrophobicContact CB-CB 3.76Å
637	E	93.5	Very high	88.3	Confident	4 Å²	4	25 Å²	25	2%	0.019	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-61.7	-15.3	176.8	55.5	-175	-173.9	0	0	115.5	F456 Y596 P635 R646 N847 I849	F456-E637 HydrophobicContact CE1-CB 4.12Å; F456-E637 HydrophobicContact CE1-CG 4.32Å; F456-E637 WeakPolarHBondContact CE1-OE2 3.37Å; Y596-E637 VanDerWaalsContact CE2-OE1 3.23Å; Y596-E637 WeakPolarHBondContact CE2-OE1 3.23Å; Y596-E637 VanDerWaalsContact CZ-OE1 3.27Å; Y596-E637 PolarHBondContact OH-OE1 3.04Å; P635-E637 VanDerWaalsContact C-N 3.27Å; P635-E637 HydrophobicContact CB-CG 4.31Å; P635-E637 PolarHBondContact O-N 3.22Å; E637-R646 PolarHBondContact O-NH1 2.99Å; E637-R646 PolarHBondContact O-NH2 3.49Å; E637-N847 VanDerWaalsContact CB-O 3.28Å; E637-N847 WeakPolarHBondContact CB-O 3.4Å; E637-N847 PolarHBondContact N-O 2.94Å; E637-I849 VanDerWaalsContact OE2-CG2 3.3Å; E637-I849 WeakPolarHBondContact OE2-CG2 3.41Å; E637-I849 PolarHBondContact OE2-N 2.93Å
638	Y	95.9	Very high	89.4	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-107.4	13	172.1	-62.3	-86.8	0	0	0	113.1	F448 F456 F459 V460 A461 L555 Y596 P635 H636	F448-Y638 HydrophobicContact CD1-CE1 4.29Å; F448-Y638 AromaticContact CD1-CZ 3.85Å; F448-Y638 WeakPolarHBondContact CD1-OH 3.36Å; F448-Y638 HydrophobicContact CE1-CE1 4.06Å; F448-Y638 AromaticContact CE1-CZ 3.93Å; F456-Y638 HydrophobicContact CE2-CE1 4.41Å; F456-Y638 HydrophobicContact CZ-CE1 4.2Å; F456-Y638 HydrophobicContact CZ-CE2 4.26Å; F456-Y638 AromaticContact CZ-CZ 3.74Å; F456-Y638 WeakPolarHBondContact CZ-OH 3.49Å; F459-Y638 HydrophobicContact CD1-CD1 4.26Å; F459-Y638 HydrophobicContact CD1-CE1 4.01Å; F459-Y638 HydrophobicContact CD2-CD1 4.29Å; F459-Y638 HydrophobicContact CE1-CD1 4.08Å; F459-Y638 AromaticContact CE1-CE1 3.65Å; F459-Y638 HydrophobicContact CE1-CE1 3.65Å; F459-Y638 HydrophobicContact CE2-CD1 4.08Å; F459-Y638 HydrophobicContact CE2-CE1 4.44Å; F459-Y638 HydrophobicContact CG-CD1 4.37Å; F459-Y638 AromaticContact CZ-CD1 3.98Å; F459-Y638 HydrophobicContact CZ-CD1 3.98Å; F459-Y638 AromaticContact CZ-CE1 3.88Å; F459-Y638 HydrophobicContact CZ-CE1 3.88Å; F459-Y638 WeakPolarHBondContact O-CA 3.44Å; F459-Y638 WeakPolarHBondContact O-CD1 3.48Å; V460-Y638 WeakPolarHBondContact CA-O 3.39Å; A461-Y638 PolarHBondContact N-O 2.88Å; L555-Y638 HydrophobicContact CD1-CD1 3.8Å; L555-Y638 HydrophobicContact CD1-CD2 3.99Å; L555-Y638 HydrophobicContact CD1-CE1 3.76Å; L555-Y638 HydrophobicContact CD1-CE2 3.99Å; L555-Y638 HydrophobicContact CD1-CG 3.93Å; Y596-Y638 HydrophobicContact CD1-CE2 4.49Å; Y596-Y638 HydrophobicContact CE1-CD2 4.42Å; Y596-Y638 AromaticContact CE1-CE2 3.67Å; Y596-Y638 HydrophobicContact CE1-CE2 3.67Å; Y596-Y638 AromaticContact CE2-CE2 3.95Å; Y596-Y638 HydrophobicContact CE2-CE2 3.95Å; Y596-Y638 AromaticContact CZ-CE2 3.37Å; Y596-Y638 VanDerWaalsContact OH-CE2 3.28Å; Y596-Y638 WeakPolarHBondContact OH-CE2 3.47Å; P635-Y638 HydrophobicContact CB-CD2 4.09Å; P635-Y638 HydrophobicContact CG-CD2 4.2Å; P635-Y638 PolarHBondContact O-N 3.11Å; H636-Y638 PolarHBondContact O-N 3.27Å; H636-Y638 VanDerWaalsContact O-N 3.12Å
639	S	95.8	Very high	90.6	Very high	11 Å²	11	17.8 Å²	17.8	8%	0.077	10%	0.104	C	C	.	.	S	Bend	trans	-91	157.1	169.1	75	0	0	0	0	110.9	H636 W641 G642 F643	H636-S639 VanDerWaalsContact O-CB 3.32Å; H636-S639 WeakPolarHBondContact O-CB 3.05Å; H636-S639 PolarHBondContact O-N 3.15Å; H636-S639 PolarHBondContact O-OG 3.21Å; S639-W641 PolarHBondContact O-N 3.1Å; S639-G642 PolarHBondContact O-N 3.47Å; S639-G642 PolarHBondContact OG-N 2.94Å; S639-F643 WeakPolarHBondContact O-CB 3.31Å; S639-F643 PolarHBondContact O-N 3.36Å
640	P	97.4	Very high	92.3	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.019	9%	0.086	C	C	.	.	H	α-helix	trans	-56	-39.5	174.6	-21.5	29	0	0	0	112.9	D256 W257 V460 L644	D256-P640 HydrophobicContact CB-CG 4.12Å; W257-P640 HydrophobicContact CD2-CB 4.16Å; W257-P640 HydrophobicContact CE3-CB 3.81Å; W257-P640 HydrophobicContact CZ3-CB 4.18Å; V460-P640 HydrophobicContact CG1-CG 3.8Å; P640-L644 WeakPolarHBondContact O-CB 3.14Å; P640-L644 WeakPolarHBondContact O-CD1 3.37Å; P640-L644 WeakPolarHBondContact O-CG 3.38Å; P640-L644 PolarHBondContact O-N 2.91Å
641	W	96.4	Very high	93.9	Very high	13 Å²	13	11.2 Å²	11.2	5%	0.049	6%	0.063	C	C	.	.	H	α-helix	trans	-63.2	-53.1	176.2	174.6	16.5	0	0	0	111.6	H263 Y264 H636 S639 F643 L644 E645 Y748 Y751 R752 H755	H263-W641 HydrophobicContact CB-CD2 4.04Å; H263-W641 HydrophobicContact CB-CE3 3.97Å; H263-W641 HydrophobicContact CB-CG 4.33Å; Y264-W641 VanDerWaalsContact CB-CD1 3.47Å; Y264-W641 AromaticContact CD2-CD1 3.97Å; Y264-W641 AromaticContact CD2-NE1 3.65Å; Y264-W641 AromaticContact CG-CD1 3.78Å; Y264-W641 AromaticContact CG-NE1 3.95Å; H636-W641 AromaticContact CE1-CD2 3.45Å; H636-W641 VanDerWaalsContact CE1-CD2 3.45Å; H636-W641 AromaticContact CE1-CE2 3.78Å; H636-W641 AromaticContact CE1-CE3 3.51Å; H636-W641 AromaticContact CE1-CG 3.88Å; H636-W641 AromaticContact CE1-CZ3 3.91Å; H636-W641 AromaticContact ND1-CE3 3.97Å; S639-W641 PolarHBondContact O-N 3.1Å; W641-F643 VanDerWaalsContact C-N 3.27Å; W641-F643 PolarHBondContact O-N 2.82Å; W641-L644 PolarHBondContact O-N 3.5Å; W641-L644 VanDerWaalsContact O-N 3.16Å; W641-E645 PolarHBondContact O-N 3.3Å; W641-Y748 HydrophobicContact CZ2-CE2 4.42Å; W641-Y748 PolarHBondContact NE1-OH 3.38Å; W641-Y748 VanDerWaalsContact NE1-OH 3.12Å; W641-Y751 AromaticContact CH2-CD1 3.74Å; W641-Y751 HydrophobicContact CH2-CD1 3.74Å; W641-Y751 AromaticContact CH2-CE1 3.59Å; W641-Y751 HydrophobicContact CH2-CE1 3.59Å; W641-Y751 AromaticContact CZ2-CD1 3.92Å; W641-Y751 HydrophobicContact CZ2-CD1 3.92Å; W641-Y751 AromaticContact CZ2-CE1 3.89Å; W641-Y751 HydrophobicContact CZ2-CE1 3.89Å; W641-Y751 HydrophobicContact CZ3-CE1 4.33Å; W641-R752 HydrophobicContact CH2-CB 4.4Å; W641-R752 HydrophobicContact CH2-CG 4.38Å; W641-R752 HydrophobicContact CZ2-CB 4.35Å; W641-R752 HydrophobicContact CZ2-CG 4.3Å; W641-H755 HydrophobicContact CH2-CB 4.03Å; W641-H755 HydrophobicContact CZ3-CB 3.86Å
642	G	95.6	Very high	94.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.8	-32.1	-179.8	0	0	0	0	0	113.1	H636 S639 R646 Q848	H636-G642 WeakPolarHBondContact NE2-CA 3.23Å; H636-G642 WeakPolarHBondContact O-CA 3.4Å; S639-G642 PolarHBondContact O-N 3.47Å; S639-G642 PolarHBondContact OG-N 2.94Å; G642-R646 WeakPolarHBondContact O-CB 3.48Å; G642-R646 PolarHBondContact O-N 3.28Å; G642-R646 VanDerWaalsContact O-N 3.1Å; G642-Q848 PolarHBondContact O-NE2 3.42Å
643	F	97.9	Very high	94.7	Very high	1 Å²	1	11 Å²	11	0%	0.004	5%	0.051	C	C	.	.	H	α-helix	trans	-67.2	-44.7	173.1	-166.7	-81.3	0	0	0	111.8	W257 A352 L457 V460 S639 W641 R646 L647	W257-F643 HydrophobicContact CH2-CB 4.49Å; W257-F643 AromaticContact CH2-CD1 3.86Å; W257-F643 HydrophobicContact CH2-CD1 3.86Å; W257-F643 HydrophobicContact CH2-CE1 4.42Å; W257-F643 HydrophobicContact CH2-CG 4.3Å; W257-F643 HydrophobicContact CZ3-CD1 4.36Å; A352-F643 HydrophobicContact CB-CD1 3.66Å; A352-F643 HydrophobicContact CB-CE1 3.56Å; L457-F643 HydrophobicContact CD1-CE2 4.29Å; L457-F643 HydrophobicContact CD1-CZ 3.85Å; L457-F643 HydrophobicContact CG-CE2 4.31Å; L457-F643 HydrophobicContact CG-CZ 4.15Å; L457-F643 WeakPolarHBondContact O-CE2 3.23Å; V460-F643 HydrophobicContact CG2-CB 3.95Å; V460-F643 HydrophobicContact CG2-CD2 4.3Å; V460-F643 HydrophobicContact CG2-CG 4.13Å; S639-F643 WeakPolarHBondContact O-CB 3.31Å; S639-F643 PolarHBondContact O-N 3.36Å; W641-F643 VanDerWaalsContact C-N 3.27Å; W641-F643 PolarHBondContact O-N 2.82Å; F643-R646 VanDerWaalsContact CD2-NH2 3.27Å; F643-R646 PolarHBondContact O-N 2.97Å; F643-L647 HydrophobicContact CE1-CD2 4.11Å; F643-L647 WeakPolarHBondContact O-CB 3.15Å; F643-L647 PolarHBondContact O-N 3.37Å
644	L	98.1	Very high	94.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.4	-42.3	175.8	-72.3	162.5	0	0	0	112.4	W257 I261 Y264 A352 I355 L356 P640 W641 N648	W257-L644 HydrophobicContact CE3-CD1 4.24Å; W257-L644 HydrophobicContact CE3-CG 4.33Å; W257-L644 HydrophobicContact CZ3-CD1 4.33Å; W257-L644 HydrophobicContact CZ3-CD2 4.17Å; W257-L644 HydrophobicContact CZ3-CG 3.94Å; I261-L644 HydrophobicContact CB-CD1 3.77Å; I261-L644 HydrophobicContact CD1-CD1 4Å; I261-L644 HydrophobicContact CG1-CD1 4.43Å; Y264-L644 HydrophobicContact CD1-CB 3.97Å; Y264-L644 HydrophobicContact CE1-CB 4.3Å; A352-L644 HydrophobicContact CB-CD2 3.96Å; I355-L644 HydrophobicContact CB-CD2 4.37Å; I355-L644 HydrophobicContact CG2-CD2 4.07Å; L356-L644 HydrophobicContact CD1-CD2 4.35Å; L356-L644 HydrophobicContact CD2-CD2 4.17Å; L356-L644 HydrophobicContact CG-CD2 3.9Å; P640-L644 WeakPolarHBondContact O-CB 3.14Å; P640-L644 WeakPolarHBondContact O-CD1 3.37Å; P640-L644 WeakPolarHBondContact O-CG 3.38Å; P640-L644 PolarHBondContact O-N 2.91Å; W641-L644 PolarHBondContact O-N 3.5Å; W641-L644 VanDerWaalsContact O-N 3.16Å; L644-N648 WeakPolarHBondContact O-CB 2.99Å; L644-N648 PolarHBondContact O-N 3.45Å
645	E	95.9	Very high	94.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-56.6	-53.9	175.6	179	-167.7	56.3	0	0	110.4	Y264 H636 W641 N648 A649 Y748 R752 Q848 L851 L856	Y264-E645 HydrophobicContact CE2-CB 4.49Å; H636-E645 IonicContact NE2-OE1 3.56Å; W641-E645 PolarHBondContact O-N 3.3Å; E645-N648 PolarHBondContact O-N 2.99Å; E645-A649 PolarHBondContact O-N 2.99Å; E645-Y748 VanDerWaalsContact OE2-CE1 3.22Å; E645-Y748 WeakPolarHBondContact OE2-CE1 3.25Å; E645-Y748 PolarHBondContact OE2-OH 3.09Å; E645-R752 IonicContact OE1-NE 3.09Å; E645-R752 PolarHBondContact OE1-NE 2.87Å; E645-R752 IonicContact OE1-NH2 3.95Å; E645-R752 VanDerWaalsContact OE2-CD 3.27Å; E645-R752 WeakPolarHBondContact OE2-CD 3.3Å; E645-R752 IonicContact OE2-NE 2.92Å; E645-R752 PolarHBondContact OE2-NE 3.34Å; E645-R752 VanDerWaalsContact OE2-NE 3.08Å; E645-Q848 WeakPolarHBondContact OE1-CG 3.35Å; E645-Q848 PolarHBondContact OE1-NE2 3.49Å; E645-L851 HydrophobicContact CG-CD1 3.94Å; E645-L856 HydrophobicContact CG-CD2 3.97Å
646	R	97.3	Very high	94.4	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	7%	0.067	C	C	.	.	H	α-helix	trans	-60.4	-51.7	179.9	-179.7	168.7	62	-104.7	2.9	112.5	F456 L457 E637 G642 F643 N648 A649 Y650 S850	F456-R646 VanDerWaalsContact O-CD 3.26Å; F456-R646 WeakPolarHBondContact O-CD 3.46Å; L457-R646 PolarHBondContact O-NE 3.25Å; L457-R646 PolarHBondContact O-NH2 3.25Å; E637-R646 PolarHBondContact O-NH1 2.99Å; E637-R646 PolarHBondContact O-NH2 3.49Å; G642-R646 WeakPolarHBondContact O-CB 3.48Å; G642-R646 PolarHBondContact O-N 3.28Å; G642-R646 VanDerWaalsContact O-N 3.1Å; F643-R646 VanDerWaalsContact CD2-NH2 3.27Å; F643-R646 PolarHBondContact O-N 2.97Å; R646-N648 VanDerWaalsContact C-N 3.34Å; R646-N648 PolarHBondContact O-N 3.26Å; R646-A649 PolarHBondContact O-N 3.48Å; R646-Y650 HydrophobicContact CG-CD2 4.17Å; R646-Y650 HydrophobicContact CG-CE2 3.43Å; R646-Y650 VanDerWaalsContact CG-CE2 3.43Å; R646-Y650 WeakPolarHBondContact O-CD2 3.39Å; R646-Y650 PolarHBondContact O-N 2.93Å; R646-Y650 VanDerWaalsContact O-N 3.14Å; R646-S850 WeakPolarHBondContact CD-OG 3.43Å
647	L	98	Very high	93.9	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-64.7	-40.4	-178.7	-176.1	61.8	0	0	0	111.5	L349 A352 L353 L356 L457 F643 A649 Y650 L651	L349-L647 HydrophobicContact CD1-CD1 4.03Å; L349-L647 HydrophobicContact CD1-CD2 3.91Å; A352-L647 HydrophobicContact CB-CD2 3.52Å; L353-L647 HydrophobicContact CD2-CD1 4.49Å; L353-L647 HydrophobicContact CD2-CD2 3.85Å; L353-L647 HydrophobicContact CD2-CG 4.4Å; L353-L647 HydrophobicContact CG-CD2 4.09Å; L356-L647 HydrophobicContact CD1-CD2 4.24Å; L356-L647 HydrophobicContact CD1-CG 4.29Å; L457-L647 HydrophobicContact CD1-CD1 4.26Å; F643-L647 HydrophobicContact CE1-CD2 4.11Å; F643-L647 WeakPolarHBondContact O-CB 3.15Å; F643-L647 PolarHBondContact O-N 3.37Å; L647-A649 VanDerWaalsContact C-N 3.33Å; L647-A649 PolarHBondContact O-N 3.28Å; L647-Y650 PolarHBondContact O-N 3.38Å; L647-L651 HydrophobicContact CD1-CD1 4.34Å; L647-L651 HydrophobicContact CD1-CG 4.31Å; L647-L651 HydrophobicContact CD2-CD1 4.5Å; L647-L651 HydrophobicContact CG-CD1 3.91Å; L647-L651 HydrophobicContact CG-CG 4.34Å; L647-L651 VanDerWaalsContact O-CG 3.27Å; L647-L651 WeakPolarHBondContact O-CG 3.3Å; L647-L651 PolarHBondContact O-N 3.38Å
648	N	96.7	Very high	93.2	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.011	9%	0.093	C	C	.	.	H	α-helix	trans	-62.2	-40.4	177.1	-174.3	66.2	0	0	0	112.1	Y264 F305 R309 L356 L644 E645 R646 L651 T652	Y264-N648 HydrophobicContact CE1-CB 4.26Å; Y264-N648 PolarHBondContact OH-ND2 3.19Å; Y264-N648 VanDerWaalsContact OH-ND2 3.14Å; F305-N648 PolarHBondContact O-ND2 2.87Å; R309-N648 WeakPolarHBondContact CD-OD1 3.35Å; R309-N648 PolarHBondContact NE-OD1 3.4Å; R309-N648 VanDerWaalsContact NE-OD1 3.13Å; R309-N648 PolarHBondContact NH1-OD1 3.45Å; L356-N648 HydrophobicContact CD1-CB 4.18Å; L356-N648 HydrophobicContact CD2-CB 4.16Å; L644-N648 WeakPolarHBondContact O-CB 2.99Å; L644-N648 PolarHBondContact O-N 3.45Å; E645-N648 PolarHBondContact O-N 2.99Å; R646-N648 VanDerWaalsContact C-N 3.34Å; R646-N648 PolarHBondContact O-N 3.26Å; N648-L651 PolarHBondContact O-N 3.49Å; N648-T652 WeakPolarHBondContact O-CB 3.43Å; N648-T652 WeakPolarHBondContact O-CG2 3.47Å; N648-T652 PolarHBondContact O-N 2.86Å; N648-T652 PolarHBondContact O-OG1 3.42Å
649	A	94.9	Very high	92.5	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.017	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-43.8	174.6	0	0	0	0	0	111.5	E645 R646 L647 T652 R653 W693 L851	E645-A649 PolarHBondContact O-N 2.99Å; R646-A649 PolarHBondContact O-N 3.48Å; L647-A649 VanDerWaalsContact C-N 3.33Å; L647-A649 PolarHBondContact O-N 3.28Å; A649-T652 PolarHBondContact O-N 3.38Å; A649-T652 PolarHBondContact O-OG1 2.92Å; A649-R653 VanDerWaalsContact O-CB 3.28Å; A649-R653 WeakPolarHBondContact O-CB 3.45Å; A649-R653 WeakPolarHBondContact O-CG 3.14Å; A649-R653 PolarHBondContact O-N 3.26Å; A649-W693 HydrophobicContact CB-CZ2 4.49Å; A649-L851 HydrophobicContact CB-CD1 4.11Å; A649-L851 HydrophobicContact CB-CD2 3.59Å
650	Y	96.1	Very high	91.8	Very high	10 Å²	10	17.8 Å²	17.8	4%	0.039	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-46.5	175.6	-61.7	-34.7	0	0	0	112.9	Y445 T455 F456 R646 L647 T652 Q654 W693 S850	Y445-Y650 HydrophobicContact CE1-CD2 4.17Å; T455-Y650 HydrophobicContact CG2-CD1 4.39Å; T455-Y650 HydrophobicContact CG2-CD2 4.16Å; T455-Y650 HydrophobicContact CG2-CE1 3.81Å; T455-Y650 HydrophobicContact CG2-CE2 3.53Å; T455-Y650 WeakPolarHBondContact CG2-OH 3.43Å; F456-Y650 WeakPolarHBondContact O-CE2 3.17Å; F456-Y650 PolarHBondContact O-OH 2.78Å; R646-Y650 HydrophobicContact CG-CD2 4.17Å; R646-Y650 HydrophobicContact CG-CE2 3.43Å; R646-Y650 VanDerWaalsContact CG-CE2 3.43Å; R646-Y650 WeakPolarHBondContact O-CD2 3.39Å; R646-Y650 PolarHBondContact O-N 2.93Å; R646-Y650 VanDerWaalsContact O-N 3.14Å; L647-Y650 PolarHBondContact O-N 3.38Å; Y650-T652 VanDerWaalsContact C-N 3.27Å; Y650-T652 PolarHBondContact O-N 3.21Å; Y650-Q654 HydrophobicContact CD1-CB 4.42Å; Y650-Q654 WeakPolarHBondContact O-CB 3.45Å; Y650-Q654 PolarHBondContact O-N 2.83Å; Y650-Q654 VanDerWaalsContact O-N 3.09Å; Y650-W693 AromaticContact CD1-CH2 3.77Å; Y650-W693 HydrophobicContact CD1-CH2 3.77Å; Y650-W693 HydrophobicContact CD1-CZ3 4.2Å; Y650-W693 AromaticContact CE1-CH2 3.79Å; Y650-W693 HydrophobicContact CE1-CH2 3.79Å; Y650-W693 HydrophobicContact CE1-CZ3 4.33Å; Y650-S850 WeakPolarHBondContact OH-CB 3.4Å; Y650-S850 PolarHBondContact OH-OG 2.95Å
651	L	94.4	Very high	91.3	Very high	23 Å²	23	18.7 Å²	18.7	12%	0.12	10%	0.103	C	C	.	.	H	α-helix	trans	-66.4	-28.6	-178.2	-65.1	168.9	0	0	0	113.1	L312 I314 L353 L356 L392 L647 N648	L312-L651 HydrophobicContact CD1-CB 4.27Å; L312-L651 HydrophobicContact CD1-CD2 4Å; I314-L651 HydrophobicContact CD1-CD2 4.2Å; L353-L651 HydrophobicContact CD2-CD1 3.68Å; L353-L651 HydrophobicContact CD2-CD2 4.07Å; L353-L651 HydrophobicContact CD2-CG 4.46Å; L356-L651 HydrophobicContact CD1-CD1 3.93Å; L392-L651 HydrophobicContact CD1-CD2 3.67Å; L647-L651 HydrophobicContact CD1-CD1 4.34Å; L647-L651 HydrophobicContact CD1-CG 4.31Å; L647-L651 HydrophobicContact CD2-CD1 4.5Å; L647-L651 HydrophobicContact CG-CD1 3.91Å; L647-L651 HydrophobicContact CG-CG 4.34Å; L647-L651 VanDerWaalsContact O-CG 3.27Å; L647-L651 WeakPolarHBondContact O-CG 3.3Å; L647-L651 PolarHBondContact O-N 3.38Å; N648-L651 PolarHBondContact O-N 3.49Å
652	T	89.2	Confident	90.5	Very high	42 Å²	42	21 Å²	21	26%	0.258	11%	0.113	S	C	.	.	H	α-helix	trans	-98.2	-27.1	-176.4	55	0	0	0	0	114.1	F305 R309 N648 A649 Y650	F305-T652 HydrophobicContact CD1-CG2 4.1Å; R309-T652 HydrophobicContact CG-CG2 3.78Å; N648-T652 WeakPolarHBondContact O-CB 3.43Å; N648-T652 WeakPolarHBondContact O-CG2 3.47Å; N648-T652 PolarHBondContact O-N 2.86Å; N648-T652 PolarHBondContact O-OG1 3.42Å; A649-T652 PolarHBondContact O-N 3.38Å; A649-T652 PolarHBondContact O-OG1 2.92Å; Y650-T652 VanDerWaalsContact C-N 3.27Å; Y650-T652 PolarHBondContact O-N 3.21Å
653	R	88.9	Confident	89.6	Confident	49 Å²	49	23.6 Å²	23.6	19%	0.185	12%	0.124	C	C	.	.	H	α-helix	trans	-119.4	-34.1	-170.9	-50.5	-58.9	-168.8	144	6.3	114.4	A649 N655 W693 L856	A649-R653 VanDerWaalsContact O-CB 3.28Å; A649-R653 WeakPolarHBondContact O-CB 3.45Å; A649-R653 WeakPolarHBondContact O-CG 3.14Å; A649-R653 PolarHBondContact O-N 3.26Å; R653-N655 PolarHBondContact O-N 3.18Å; R653-W693 HydrophobicContact CB-CB 4.3Å; R653-W693 VanDerWaalsContact CB-CD1 3.45Å; R653-W693 HydrophobicContact CB-CD2 3.8Å; R653-W693 HydrophobicContact CB-CG 3.6Å; R653-L856 PolarHBondContact NE-OXT 3.19Å; R653-L856 PolarHBondContact NH2-O 3.13Å; R653-L856 PolarHBondContact NH2-OXT 3.41Å
654	Q	90.2	Very high	88.5	Confident	18 Å²	18	29.4 Å²	29.4	8%	0.084	16%	0.155	C	C	.	.			trans	-81.9	84.7	-172.9	-165.1	-163.7	50	0	0	111.6	R416 Y445 T455 Y650 I656 W693	R416-Q654 PolarHBondContact NH2-O 3.35Å; Y445-Q654 PolarHBondContact OH-OE1 3.19Å; T455-Q654 PolarHBondContact OG1-NE2 2.9Å; Y650-Q654 HydrophobicContact CD1-CB 4.42Å; Y650-Q654 WeakPolarHBondContact O-CB 3.45Å; Y650-Q654 PolarHBondContact O-N 2.83Å; Y650-Q654 VanDerWaalsContact O-N 3.09Å; Q654-I656 HydrophobicContact CG-CG1 4.17Å; Q654-I656 PolarHBondContact O-N 2.93Å; Q654-W693 HydrophobicContact CB-CE3 3.95Å; Q654-W693 HydrophobicContact CB-CZ3 3.88Å; Q654-W693 HydrophobicContact CG-CE3 4.09Å; Q654-W693 HydrophobicContact CG-CZ3 3.93Å
655	N	88.3	Confident	87.4	Confident	93 Å²	93	31.6 Å²	31.6	50%	0.497	17%	0.167	S	C	.	.			trans	-91.4	86.7	176.6	-172.1	-8.2	0	0	0	112	R653 C657 A658	R653-N655 PolarHBondContact O-N 3.18Å; N655-C657 VanDerWaalsContact C-N 3.25Å; N655-C657 PolarHBondContact O-N 3.01Å; N655-C657 PolarHBondContact OD1-N 3.13Å; N655-A658 HydrophobicContact CB-CB 4.16Å; N655-A658 PolarHBondContact O-N 3.38Å; N655-A658 VanDerWaalsContact O-N 3.14Å; N655-A658 PolarHBondContact OD1-N 3.44Å
656	I	90.1	Very high	86.8	Confident	2 Å²	2	34 Å²	34	1%	0.01	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-61.4	-33.1	179.3	-60.9	-172.9	0	0	0	112.2	C413 R416 N440 Q443 Q654 A658 T659 Y662	C413-I656 HydrophobicContact CB-CG2 4.2Å; R416-I656 VanDerWaalsContact CZ-CD1 3.41Å; N440-I656 HydrophobicContact CB-CG2 4.29Å; Q443-I656 HydrophobicContact CB-CD1 4.45Å; Q443-I656 HydrophobicContact CG-CD1 3.47Å; Q443-I656 VanDerWaalsContact CG-CD1 3.47Å; Q443-I656 HydrophobicContact CG-CG2 3.89Å; Q654-I656 HydrophobicContact CG-CG1 4.17Å; Q654-I656 PolarHBondContact O-N 2.93Å; I656-A658 PolarHBondContact O-N 2.82Å; I656-T659 WeakPolarHBondContact O-CB 3.45Å; I656-T659 WeakPolarHBondContact O-CG2 3.47Å; I656-T659 PolarHBondContact O-N 3.37Å; I656-T659 VanDerWaalsContact O-N 3.16Å; I656-T659 PolarHBondContact O-OG1 3.14Å; I656-Y662 HydrophobicContact CG2-CD2 4.04Å; I656-Y662 HydrophobicContact CG2-CE2 3.66Å
657	C	81.9	Confident	86.2	Confident	48 Å²	48	36.5 Å²	36.5	32%	0.324	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-67.8	-24.7	178.9	-60.3	0	0	0	0	113.2	C413 N655	C413-C657 HydrophobicContact CB-CB 3.78Å; C413-C657 WeakPolarHBondContact CB-SG 3.45Å; C413-C657 WeakPolarHBondContact SG-CA 3.4Å; C413-C657 WeakPolarHBondContact SG-CB 3.26Å; C413-C657 CovalentContact SG-SG 2.03Å; C413-C657 PolarHBondContact SG-SG 2.92Å; N655-C657 VanDerWaalsContact C-N 3.25Å; N655-C657 PolarHBondContact O-N 3.01Å; N655-C657 PolarHBondContact OD1-N 3.13Å
658	A	78.3	Confident	85.2	Confident	31 Å²	31	36.4 Å²	36.4	26%	0.256	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-86.5	-7.4	176.2	0	0	0	0	0	113.5	N655 I656 K663	N655-A658 HydrophobicContact CB-CB 4.16Å; N655-A658 PolarHBondContact O-N 3.38Å; N655-A658 VanDerWaalsContact O-N 3.14Å; N655-A658 PolarHBondContact OD1-N 3.44Å; I656-A658 PolarHBondContact O-N 2.82Å; A658-K663 WeakPolarHBondContact O-CE 3.29Å; A658-K663 PolarHBondContact O-NZ 2.97Å
659	T	81.5	Confident	84.2	Confident	30 Å²	30	37 Å²	37	18%	0.184	19%	0.194	C	C	.	.	S	Bend	trans	-65.8	153	-175.3	62.4	0	0	0	0	112.6	N440 I656 F661 Y662	N440-T659 PolarHBondContact ND2-OG1 3Å; I656-T659 WeakPolarHBondContact O-CB 3.45Å; I656-T659 WeakPolarHBondContact O-CG2 3.47Å; I656-T659 PolarHBondContact O-N 3.37Å; I656-T659 VanDerWaalsContact O-N 3.16Å; I656-T659 PolarHBondContact O-OG1 3.14Å; T659-F661 PolarHBondContact O-N 3.28Å; T659-F661 VanDerWaalsContact O-N 3.13Å; T659-Y662 PolarHBondContact O-N 2.93Å
660	P	81	Confident	83.1	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.032	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.2	173	-31.1	38.6	0	0	0	114.1	Y662 K663 N664 L665 V691 P776	P660-Y662 PolarHBondContact O-N 3.34Å; P660-K663 CarbonylContact O-C 3.41Å; P660-K663 PolarHBondContact O-N 3.08Å; P660-N664 PolarHBondContact O-N 2.99Å; P660-N664 VanDerWaalsContact O-N 3.1Å; P660-L665 HydrophobicContact CB-CB 3.9Å; P660-L665 VanDerWaalsContact CB-O 3.31Å; P660-L665 WeakPolarHBondContact CB-O 3.29Å; P660-L665 PolarHBondContact O-N 3.25Å; P660-V691 HydrophobicContact CG-CG2 4.05Å; P660-P776 HydrophobicContact CB-CB 4.2Å; P660-P776 HydrophobicContact CB-CG 3.89Å; P660-P776 HydrophobicContact CG-CB 4.13Å; P660-P776 HydrophobicContact CG-CG 3.99Å
661	F	85.7	Confident	81.4	Confident	21 Å²	21	41.6 Å²	41.6	9%	0.092	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-54.9	-179.1	-176.6	-85.2	0	0	0	112.5	N440 T659 K663 N664 N818 E819	N440-F661 HydrophobicContact CB-CB 4.33Å; N440-F661 HydrophobicContact CB-CD1 3.87Å; N440-F661 HydrophobicContact CB-CD2 4.23Å; N440-F661 HydrophobicContact CB-CE1 4.23Å; N440-F661 HydrophobicContact CB-CG 3.89Å; N440-F661 WeakPolarHBondContact ND2-CB 3.21Å; T659-F661 PolarHBondContact O-N 3.28Å; T659-F661 VanDerWaalsContact O-N 3.13Å; F661-K663 PolarHBondContact O-N 2.94Å; F661-N664 PolarHBondContact O-N 3.3Å; F661-N818 HydrophobicContact CD2-CB 4.24Å; F661-N818 WeakPolarHBondContact CD2-OD1 3.14Å; F661-N818 PolarHBondContact N-ND2 3.13Å; F661-E819 HydrophobicContact CE2-CG 3.73Å; F661-E819 HydrophobicContact CZ-CG 3.99Å
662	Y	81.3	Confident	79.5	Confident	63 Å²	63	43.1 Å²	43.1	25%	0.247	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-10.6	-177.9	-76.5	-66.9	0	0	0	114	L412 C413 N440 Q443 I656 T659 P660	L412-Y662 HydrophobicContact CB-CE1 3.85Å; L412-Y662 WeakPolarHBondContact CB-OH 3.07Å; C413-Y662 VanDerWaalsContact CA-CE2 3.48Å; C413-Y662 HydrophobicContact CB-CD1 4.4Å; C413-Y662 HydrophobicContact CB-CD2 3.44Å; C413-Y662 VanDerWaalsContact CB-CD2 3.44Å; C413-Y662 HydrophobicContact CB-CE1 4.38Å; C413-Y662 HydrophobicContact CB-CE2 3.39Å; C413-Y662 HydrophobicContact CB-CG 3.95Å; N440-Y662 HydrophobicContact CB-CE2 4.13Å; Q443-Y662 PolarHBondContact OE1-OH 2.76Å; I656-Y662 HydrophobicContact CG2-CD2 4.04Å; I656-Y662 HydrophobicContact CG2-CE2 3.66Å; T659-Y662 PolarHBondContact O-N 2.93Å; P660-Y662 PolarHBondContact O-N 3.34Å
663	K	75.2	Confident	77.5	Confident	54 Å²	54	44.9 Å²	44.9	24%	0.235	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	2.4	172.3	-66.4	169.9	169.8	170.7	0	112.4	L161 A658 P660 F661 L665 G688	L161-K663 HydrophobicContact CD2-CD 3.81Å; A658-K663 WeakPolarHBondContact O-CE 3.29Å; A658-K663 PolarHBondContact O-NZ 2.97Å; P660-K663 CarbonylContact O-C 3.41Å; P660-K663 PolarHBondContact O-N 3.08Å; F661-K663 PolarHBondContact O-N 2.94Å; K663-L665 HydrophobicContact CB-CD1 3.77Å; K663-L665 HydrophobicContact CB-CG 3.76Å; K663-L665 HydrophobicContact CD-CD1 4.17Å; K663-L665 PolarHBondContact O-N 3.41Å; K663-G688 PolarHBondContact NZ-O 2.62Å
664	N	75.5	Confident	75.2	Confident	123 Å²	123	49.1 Å²	49.1	66%	0.658	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	27.6	-172.9	-63	-53.1	0	0	0	113.9	P660 F661	P660-N664 PolarHBondContact O-N 2.99Å; P660-N664 VanDerWaalsContact O-N 3.1Å; F661-N664 PolarHBondContact O-N 3.3Å
665	L	75.8	Confident	73	Confident	46 Å²	46	53.1 Å²	53.1	24%	0.241	31%	0.305	C	S	.	.			trans	-90.7	124.9	178.4	-59.4	175.5	0	0	0	109.1	P660 K663 I689 N818	P660-L665 HydrophobicContact CB-CB 3.9Å; P660-L665 VanDerWaalsContact CB-O 3.31Å; P660-L665 WeakPolarHBondContact CB-O 3.29Å; P660-L665 PolarHBondContact O-N 3.25Å; K663-L665 HydrophobicContact CB-CD1 3.77Å; K663-L665 HydrophobicContact CB-CG 3.76Å; K663-L665 HydrophobicContact CD-CD1 4.17Å; K663-L665 PolarHBondContact O-N 3.41Å; L665-I689 HydrophobicContact CD1-CB 4.24Å; L665-I689 HydrophobicContact CD1-CD1 4.28Å; L665-I689 HydrophobicContact CD1-CG1 3.9Å; L665-I689 HydrophobicContact CD1-CG2 3.68Å; L665-N818 PolarHBondContact O-ND2 3.1Å
666	I	82.4	Confident	70.7	Confident	49 Å²	49	56.4 Å²	56.4	25%	0.251	32%	0.323	S	S	.	.	S	Bend	trans	-94.8	-9	177.2	52.7	159.8	0	0	0	112.7	N779 Y796	I666-N779 WeakPolarHBondContact O-CB 3.48Å; I666-N779 PolarHBondContact O-ND2 3.23Å; I666-Y796 HydrophobicContact CD1-CD1 4.32Å; I666-Y796 HydrophobicContact CD1-CE1 4.05Å
667	Q	83.7	Confident	68.1	Low	54 Å²	54	58.5 Å²	58.5	25%	0.252	34%	0.34	S	S	.	.			trans	-135.6	148.4	-177.9	-62.7	-175.1	-21.4	0	0	110.1	P776 N779 H780 Y796	Q667-P776 CarbonylContact C-O 3.57Å; Q667-P776 WeakPolarHBondContact CA-O 3.47Å; Q667-N779 VanDerWaalsContact CD-O 3.27Å; Q667-N779 HydrophobicContact CG-CB 4.47Å; Q667-N779 WeakPolarHBondContact CG-O 3.46Å; Q667-N779 PolarHBondContact NE2-O 2.94Å; Q667-H780 HydrophobicContact CB-CB 4.47Å; Q667-Y796 PolarHBondContact NE2-OH 3.32Å
668	S	78.7	Confident	65.8	Low	0 Å²	0	61.4 Å²	61.4	0%	0	36%	0.359	C	S	.	.			trans	-138.5	129.2	177.6	171.3	0	0	0	0	109.6	A690 V691 P776 S777 N783	S668-A690 WeakPolarHBondContact OG-CA 3.36Å; S668-V691 PolarHBondContact OG-N 2.92Å; S668-P776 PolarHBondContact N-O 3.07Å; S668-S777 WeakPolarHBondContact O-CA 3.16Å; S668-N783 PolarHBondContact O-ND2 2.97Å
669	P	74.4	Confident	64	Low	15 Å²	15	63.5 Å²	63.5	10%	0.097	37%	0.37	C	S	.	.			trans	-66.1	153.6	169.4	30.2	-32	0	0	0	109.7	D685	P669-D685 HydrophobicContact CB-CB 4.37Å; P669-D685 HydrophobicContact CG-CB 4.08Å
670	L	71.9	Confident	61.8	Low	29 Å²	29	71.6 Å²	71.6	15%	0.152	40%	0.402	C	S	.	.			trans	-99.7	139.4	167.5	-74.9	171.3	0	0	0	109.3	I672 A696 L699 I701 N783	L670-I672 VanDerWaalsContact C-N 3.29Å; L670-I672 HydrophobicContact CB-CG1 4.11Å; L670-I672 PolarHBondContact O-N 3.24Å; L670-A696 HydrophobicContact CD2-CB 3.82Å; L670-L699 HydrophobicContact CD1-CD2 4.27Å; L670-L699 HydrophobicContact CD2-CD2 4.05Å; L670-I701 HydrophobicContact CD1-CD1 3.98Å; L670-N783 HydrophobicContact CD1-CB 4.2Å; L670-N783 PolarHBondContact N-ND2 3.48Å; L670-N783 PolarHBondContact N-OD1 2.02Å
671	P	61.7	Low	59.9	Low	78 Å²	78	77.4 Å²	77.4	51%	0.506	43%	0.427	S	S	.	.			trans	-69.4	90.5	169	27.7	-30.8	0	0	0	108.8	A673 A696	P671-A673 PolarHBondContact O-N 2.04Å; P671-A696 HydrophobicContact CG-CB 4.14Å
672	I	53.4	Low	57.5	Low	55 Å²	55	81.7 Å²	81.7	28%	0.282	45%	0.452	S	S	.	.			trans	-86.9	100.1	179.6	-64.2	161.6	0	0	0	108.2	L670 Y786	L670-I672 VanDerWaalsContact C-N 3.29Å; L670-I672 HydrophobicContact CB-CG1 4.11Å; L670-I672 PolarHBondContact O-N 3.24Å; I672-Y786 HydrophobicContact CB-CE1 4.49Å; I672-Y786 HydrophobicContact CD1-CD1 3.76Å; I672-Y786 HydrophobicContact CD1-CD2 4.17Å; I672-Y786 HydrophobicContact CD1-CE1 4.34Å; I672-Y786 HydrophobicContact CD1-CG 3.67Å; I672-Y786 HydrophobicContact CG1-CD1 4.07Å; I672-Y786 HydrophobicContact CG1-CE1 4.2Å; I672-Y786 HydrophobicContact CG1-CG 4.4Å; I672-Y786 HydrophobicContact CG2-CD1 3.99Å; I672-Y786 HydrophobicContact CG2-CD2 3.9Å; I672-Y786 HydrophobicContact CG2-CE1 3.46Å; I672-Y786 VanDerWaalsContact CG2-CE1 3.46Å; I672-Y786 HydrophobicContact CG2-CE2 3.37Å; I672-Y786 HydrophobicContact CG2-CG 4.18Å; I672-Y786 WeakPolarHBondContact CG2-OH 3.43Å
673	A	46.8	Very low	55.2	Low	79 Å²	79	89.6 Å²	89.6	65%	0.653	48%	0.483	S	S	*	.			trans	-83.9	120.2	167.4	0	0	0	0	0	109.2	P671	P671-A673 PolarHBondContact O-N 2.04Å
674	K	40.9	Very low	53.5	Low	139 Å²	139	93.9 Å²	93.9	60%	0.604	51%	0.507	S	S	*	.	B	Isolated β-bridge	trans	-74.4	134.8	161.6	-79.5	-172.8	176.5	-174.5	0	107.4	D676 A677	K674-D676 PolarHBondContact O-N 2.99Å; K674-A677 HydrophobicContact CB-CB 4.1Å; K674-A677 PolarHBondContact O-N 2.99Å
675	A	44	Very low	51.9	Low	101 Å²	101	90.7 Å²	90.7	84%	0.835	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-25.3	-177.1	0	0	0	0	0	114.1
676	D	40.1	Very low	50.3	Low	162 Å²	162	89.7 Å²	89.7	87%	0.866	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	22.4	-175.5	-55.2	-54.1	0	0	0	114.3	K674	K674-D676 PolarHBondContact O-N 2.99Å
677	A	35.9	Very low	48.2	Very low	46 Å²	46	91.1 Å²	91.1	38%	0.38	50%	0.498	S	S	.	.	B	Isolated β-bridge	trans	-141.9	141.5	175.4	0	0	0	0	0	112	K674	K674-A677 HydrophobicContact CB-CB 4.1Å; K674-A677 PolarHBondContact O-N 2.99Å
678	P	33.7	Very low	46.6	Very low	109 Å²	109	90.5 Å²	90.5	71%	0.708	51%	0.507	S	S	*	.			trans	-54.8	140.6	171.3	23.7	-31.8	0	0	0	108.6	K680	P678-K680 PolarHBondContact O-N 3.49Å
679	P	40.1	Very low	45.6	Very low	76 Å²	76	92 Å²	92	49%	0.494	51%	0.514	S	S	.	.			trans	-57.7	104.9	-178.3	23.3	-31.9	0	0	0	108.2	F681	P679-F681 HydrophobicContact CB-CD2 4.09Å; P679-F681 HydrophobicContact CB-CE2 3.93Å; P679-F681 HydrophobicContact CG-CD2 4.37Å; P679-F681 HydrophobicContact CG-CE2 4.04Å; P679-F681 PolarHBondContact O-N 3.36Å
680	K	35.2	Very low	45.3	Very low	199 Å²	199	93.2 Å²	93.2	87%	0.865	53%	0.525	S	S	*	.			trans	-72.4	84.4	166.3	-80.5	-172.2	176	-176.5	0	106	P678 N682	P678-K680 PolarHBondContact O-N 3.49Å; K680-N682 PolarHBondContact O-N 2.94Å; K680-N682 VanDerWaalsContact O-N 3.15Å
681	F	40.9	Very low	45.6	Very low	127 Å²	127	92.6 Å²	92.6	56%	0.557	52%	0.523	S	S	*	.			trans	-55.9	116.3	159.2	-77.2	-87.1	0	0	0	106.4	P679 Y683	P679-F681 HydrophobicContact CB-CD2 4.09Å; P679-F681 HydrophobicContact CB-CE2 3.93Å; P679-F681 HydrophobicContact CG-CD2 4.37Å; P679-F681 HydrophobicContact CG-CE2 4.04Å; P679-F681 PolarHBondContact O-N 3.36Å; F681-Y683 PolarHBondContact O-N 2.74Å
682	N	34.9	Very low	46.4	Very low	112 Å²	112	93 Å²	93	60%	0.599	53%	0.527	S	S	*	.			trans	-61.9	128.2	160.5	-85.6	-17.9	0	0	0	105.8	K680 L684 D685	K680-N682 PolarHBondContact O-N 2.94Å; K680-N682 VanDerWaalsContact O-N 3.15Å; N682-L684 PolarHBondContact O-N 3.45Å; N682-D685 PolarHBondContact O-N 3.28Å
683	Y	33.9	Very low	48	Very low	229 Å²	229	91.6 Å²	91.6	90%	0.898	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	24.4	-166.1	-108.6	-97.3	0	0	0	115.9	F681	F681-Y683 PolarHBondContact O-N 2.74Å
684	L	39.3	Very low	50.1	Low	144 Å²	144	88 Å²	88	75%	0.754	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	0.4	179.4	-67.4	173	0	0	0	114	N682	N682-L684 PolarHBondContact O-N 3.45Å
685	D	41	Very low	52.2	Low	55 Å²	55	82.7 Å²	82.7	29%	0.294	47%	0.468	S	S	.	.			trans	-97.3	103.6	-179.6	-67	-36.6	0	0	0	111.1	P669 N682 P687	P669-D685 HydrophobicContact CB-CB 4.37Å; P669-D685 HydrophobicContact CG-CB 4.08Å; N682-D685 PolarHBondContact O-N 3.28Å; D685-P687 WeakPolarHBondContact O-CD 3.33Å
686	V	42.3	Very low	54.1	Low	25 Å²	25	79.3 Å²	79.3	15%	0.152	44%	0.44	C	S	.	.			trans	-63.1	123	178.3	174.9	0	0	0	0	110.2	K157 L161 G688 I689	K157-V686 WeakPolarHBondContact O-CG1 3.44Å; K157-V686 WeakPolarHBondContact O-CG2 3.36Å; L161-V686 HydrophobicContact CD1-CG1 4.19Å; V686-G688 PolarHBondContact O-N 3.47Å; V686-G688 VanDerWaalsContact O-N 3.16Å; V686-I689 HydrophobicContact CB-CD1 3.56Å; V686-I689 HydrophobicContact CB-CG1 3.91Å; V686-I689 HydrophobicContact CG1-CD1 4.34Å; V686-I689 HydrophobicContact CG1-CG1 4.31Å; V686-I689 HydrophobicContact CG2-CD1 3.95Å; V686-I689 PolarHBondContact O-N 3.14Å; V686-I689 VanDerWaalsContact O-N 3.14Å
687	P	40.2	Very low	55.9	Low	79 Å²	79	75.4 Å²	75.4	51%	0.513	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	121.4	167.2	-21	31.9	0	0	0	109.4	K157 D685	K157-P687 HydrophobicContact CD-CG 4.41Å; D685-P687 WeakPolarHBondContact O-CD 3.33Å
688	G	48.1	Very low	58.1	Low	42 Å²	42	73.5 Å²	73.5	43%	0.433	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.8	-1.2	-174.9	0	0	0	0	0	115.7	K663 V686	K663-G688 PolarHBondContact NZ-O 2.62Å; V686-G688 PolarHBondContact O-N 3.47Å; V686-G688 VanDerWaalsContact O-N 3.16Å
689	I	59.3	Low	60.7	Low	31 Å²	31	69.3 Å²	69.3	16%	0.159	38%	0.381	C	S	.	.			trans	-90.8	-25.8	169.8	-67.3	-178.6	0	0	0	112.3	L161 L665 V686	L161-I689 HydrophobicContact CD2-CG1 3.89Å; L665-I689 HydrophobicContact CD1-CB 4.24Å; L665-I689 HydrophobicContact CD1-CD1 4.28Å; L665-I689 HydrophobicContact CD1-CG1 3.9Å; L665-I689 HydrophobicContact CD1-CG2 3.68Å; V686-I689 HydrophobicContact CB-CD1 3.56Å; V686-I689 HydrophobicContact CB-CG1 3.91Å; V686-I689 HydrophobicContact CG1-CD1 4.34Å; V686-I689 HydrophobicContact CG1-CG1 4.31Å; V686-I689 HydrophobicContact CG2-CD1 3.95Å; V686-I689 PolarHBondContact O-N 3.14Å; V686-I689 VanDerWaalsContact O-N 3.14Å
690	A	66.7	Low	62.9	Low	40 Å²	40	66.9 Å²	66.9	33%	0.331	36%	0.363	S	S	.	.	S	Bend	trans	-68.8	141.1	-177.9	0	0	0	0	0	112.8	S668 S692	S668-A690 WeakPolarHBondContact OG-CA 3.36Å; A690-S692 PolarHBondContact O-N 2.93Å
691	V	79.7	Confident	65.4	Low	16 Å²	16	57.7 Å²	57.7	10%	0.097	32%	0.323	C	S	.	.			trans	-61	116.5	166.9	-179.9	0	0	0	0	108.8	P660 S668 E773 H774	P660-V691 HydrophobicContact CG-CG2 4.05Å; S668-V691 PolarHBondContact OG-N 2.92Å; V691-E773 HydrophobicContact CG1-CB 4.02Å; V691-E773 WeakPolarHBondContact CG2-O 3.09Å; V691-H774 VanDerWaalsContact CG1-CE1 3.5Å; V691-H774 WeakPolarHBondContact CG1-CE1 2.91Å
692	S	77.7	Confident	67.7	Low	86 Å²	86	51.7 Å²	51.7	60%	0.601	30%	0.297	S	S	*	.			trans	-94.6	-25.3	-173.9	58.5	0	0	0	0	114	A690	A690-S692 PolarHBondContact O-N 2.93Å
693	W	87.3	Confident	70.3	Confident	27 Å²	27	48.6 Å²	48.6	10%	0.102	28%	0.28	C	S	.	.	S	Bend	trans	-150.6	131.5	179.6	-168	86	0	0	0	111.3	A649 Y650 R653 Q654 L851 C855	A649-W693 HydrophobicContact CB-CZ2 4.49Å; Y650-W693 AromaticContact CD1-CH2 3.77Å; Y650-W693 HydrophobicContact CD1-CH2 3.77Å; Y650-W693 HydrophobicContact CD1-CZ3 4.2Å; Y650-W693 AromaticContact CE1-CH2 3.79Å; Y650-W693 HydrophobicContact CE1-CH2 3.79Å; Y650-W693 HydrophobicContact CE1-CZ3 4.33Å; R653-W693 HydrophobicContact CB-CB 4.3Å; R653-W693 VanDerWaalsContact CB-CD1 3.45Å; R653-W693 HydrophobicContact CB-CD2 3.8Å; R653-W693 HydrophobicContact CB-CG 3.6Å; Q654-W693 HydrophobicContact CB-CE3 3.95Å; Q654-W693 HydrophobicContact CB-CZ3 3.88Å; Q654-W693 HydrophobicContact CG-CE3 4.09Å; Q654-W693 HydrophobicContact CG-CZ3 3.93Å; W693-L851 HydrophobicContact CH2-CD2 4.29Å; W693-L851 HydrophobicContact CZ2-CD2 3.99Å; W693-C855 HydrophobicContact CZ2-CB 4Å; W693-C855 PolarHBondContact NE1-O 2.86Å
694	P	90.6	Very high	72.8	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.013	24%	0.238	C	C	.	.	S	Bend	cis	-51.8	151	-8.4	-27.5	37.6	0	0	0	113	H774	P694-H774 PolarHBondContact O-CE1 3.14Å; P694-H774 PolarHBondContact O-NE2 3.37Å
695	P	85.5	Confident	75	Confident	28 Å²	28	32.6 Å²	32.6	18%	0.182	21%	0.214	C	C	.	.			trans	-74	148.5	-178.4	29.8	-34.3	0	0	0	110.6	S697 S698 N854	P695-S697 PolarHBondContact O-N 2.89Å; P695-S698 PolarHBondContact O-N 3.39Å; P695-S698 PolarHBondContact O-OG 3.01Å; P695-N854 HydrophobicContact CG-CB 3.82Å; P695-N854 WeakPolarHBondContact CG-O 3.35Å
696	A	82.7	Confident	77.2	Confident	30 Å²	30	37.2 Å²	37.2	25%	0.248	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-53.6	-25.7	176.6	0	0	0	0	0	113.8	L670 P671 S698 L699	L670-A696 HydrophobicContact CD2-CB 3.82Å; P671-A696 HydrophobicContact CG-CB 4.14Å; A696-S698 PolarHBondContact O-N 2.79Å; A696-L699 WeakPolarHBondContact O-CB 3.37Å; A696-L699 PolarHBondContact O-N 2.7Å; A696-L699 VanDerWaalsContact O-N 3.12Å
697	S	79.2	Confident	79.2	Confident	81 Å²	81	37.1 Å²	37.1	57%	0.566	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-66.1	-18.7	176.3	59.3	0	0	0	0	114.4	P695 N854	P695-S697 PolarHBondContact O-N 2.89Å; S697-N854 WeakPolarHBondContact CB-ND2 3.36Å; S697-N854 PolarHBondContact OG-ND2 3.11Å
698	S	82.5	Confident	81.6	Confident	5 Å²	5	38.6 Å²	38.6	4%	0.035	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-92.4	-11.1	174.1	66.2	0	0	0	0	113.3	P695 A696 R842 D843 C852	P695-S698 PolarHBondContact O-N 3.39Å; P695-S698 PolarHBondContact O-OG 3.01Å; A696-S698 PolarHBondContact O-N 2.79Å; S698-R842 WeakPolarHBondContact O-CA 3.35Å; S698-D843 WeakPolarHBondContact CB-OD1 3.47Å; S698-C852 WeakPolarHBondContact CB-SG 2.92Å; S698-C852 PolarHBondContact OG-SG 2.95Å; S698-C852 VanDerWaalsContact OG-SG 3.4Å
699	L	86.9	Confident	83.8	Confident	22 Å²	22	36.8 Å²	36.8	12%	0.115	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	131.1	-171.4	-174.3	68.3	0	0	0	111.2	L670 A696 I701 H774 P840 C841	L670-L699 HydrophobicContact CD1-CD2 4.27Å; L670-L699 HydrophobicContact CD2-CD2 4.05Å; A696-L699 WeakPolarHBondContact O-CB 3.37Å; A696-L699 PolarHBondContact O-N 2.7Å; A696-L699 VanDerWaalsContact O-N 3.12Å; L699-I701 HydrophobicContact CD2-CD1 3.91Å; L699-I701 HydrophobicContact CD2-CG1 4Å; L699-I701 HydrophobicContact CG-CG1 4.07Å; L699-H774 HydrophobicContact CD1-CB 3.7Å; L699-H774 HydrophobicContact CD2-CB 3.99Å; L699-P840 HydrophobicContact CD1-CB 3.76Å; L699-C841 CarbonylContact C-O 3.5Å; L699-C841 WeakPolarHBondContact CA-O 3.49Å
700	K	86.3	Confident	85.5	Confident	24 Å²	24	35.3 Å²	35.3	10%	0.104	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.3	163.5	-64.8	-163.9	-178.7	178.7	0	108.6	L726 F768 C841	K700-L726 HydrophobicContact CD-CD1 4.35Å; K700-L726 HydrophobicContact CG-CD1 4.28Å; K700-F768 HydrophobicContact CB-CE1 4.47Å; K700-F768 HydrophobicContact CD-CD1 4.05Å; K700-F768 HydrophobicContact CD-CE1 3.34Å; K700-F768 HydrophobicContact CD-CE2 4.44Å; K700-F768 HydrophobicContact CD-CZ 3.61Å; K700-F768 HydrophobicContact CG-CD1 4.36Å; K700-F768 HydrophobicContact CG-CE1 3.79Å; K700-F768 HydrophobicContact CG-CZ 4.5Å; K700-C841 HydrophobicContact CB-CB 4.48Å; K700-C841 PolarHBondContact N-O 3.36Å; K700-C841 WeakPolarHBondContact O-CA 3.14Å; K700-C841 WeakPolarHBondContact O-CB 3.47Å; K700-C841 PolarHBondContact O-N 3.5Å; K700-C841 VanDerWaalsContact O-O 3.1Å
701	I	88.7	Confident	86.7	Confident	7 Å²	7	33.8 Å²	33.8	4%	0.036	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.5	176.8	-65.7	170.2	0	0	0	108.1	L670 L699 L725 V778 L784 L787	L670-I701 HydrophobicContact CD1-CD1 3.98Å; L699-I701 HydrophobicContact CD2-CD1 3.91Å; L699-I701 HydrophobicContact CD2-CG1 4Å; L699-I701 HydrophobicContact CG-CG1 4.07Å; I701-L725 HydrophobicContact CG2-CD1 4.41Å; I701-V778 HydrophobicContact CB-CG1 4.16Å; I701-V778 HydrophobicContact CD1-CG1 3.55Å; I701-V778 HydrophobicContact CG1-CG1 3.49Å; I701-V778 VanDerWaalsContact CG1-CG1 3.49Å; I701-V778 HydrophobicContact CG2-CG1 3.63Å; I701-L784 HydrophobicContact CG2-CD2 4.35Å; I701-L787 HydrophobicContact CB-CD1 3.82Å; I701-L787 HydrophobicContact CD1-CD1 3.34Å; I701-L787 HydrophobicContact CG1-CD1 4.09Å; I701-L787 HydrophobicContact CG2-CD1 4.05Å
702	V	89.1	Confident	87.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.2	-169.5	-175	0	0	0	0	109	G704 V713 L717 H722 C839 C841	V702-G704 PolarHBondContact O-N 2.83Å; V702-V713 HydrophobicContact CB-CG1 4.12Å; V702-V713 HydrophobicContact CG1-CG1 3.58Å; V702-L717 HydrophobicContact CB-CD2 4.29Å; V702-L717 HydrophobicContact CG1-CD2 3.67Å; V702-L717 HydrophobicContact CG2-CD1 3.65Å; V702-L717 HydrophobicContact CG2-CD2 3.65Å; V702-L717 HydrophobicContact CG2-CG 4.18Å; V702-H722 HydrophobicContact CG1-CB 4.33Å; V702-C839 PolarHBondContact N-O 2.81Å; V702-C839 PolarHBondContact O-N 2.78Å; V702-C841 HydrophobicContact CG2-CB 4.41Å
703	L	89.6	Confident	87.9	Confident	47 Å²	47	32 Å²	32	25%	0.246	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	108.4	164.6	-171.5	62	0	0	0	108	L725 W805 S836 F838	L703-L725 HydrophobicContact CB-CD1 4.03Å; L703-L725 HydrophobicContact CB-CG 4.44Å; L703-W805 HydrophobicContact CD1-CB 4.09Å; L703-S836 WeakPolarHBondContact CD1-O 3.43Å; L703-F838 HydrophobicContact CD1-CD1 3.82Å; L703-F838 HydrophobicContact CD1-CE1 3.71Å; L703-F838 HydrophobicContact CD1-CZ 4.47Å
704	G	86.5	Confident	88.2	Confident	2 Å²	2	30.7 Å²	30.7	2%	0.021	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-68.4	148.9	-177.6	0	0	0	0	0	112.7	V702 V713 S836 R837	V702-G704 PolarHBondContact O-N 2.83Å; G704-V713 VanDerWaalsContact CA-CG2 3.46Å; G704-S836 VanDerWaalsContact O-CB 3.26Å; G704-S836 WeakPolarHBondContact O-CB 3.23Å; G704-S836 PolarHBondContact O-OG 2.87Å; G704-R837 PolarHBondContact N-O 2.89Å
705	S	85.5	Confident	88	Confident	36 Å²	36	33.9 Å²	33.9	25%	0.252	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-59.4	148.8	170.8	-50.1	0	0	0	0	110.8	G707 K708 H722	S705-G707 PolarHBondContact O-N 3.33Å; S705-K708 WeakPolarHBondContact O-CB 3.35Å; S705-K708 PolarHBondContact O-N 3.49Å; S705-K708 VanDerWaalsContact O-N 3.14Å; S705-H722 PolarHBondContact OG-CE1 3.35Å; S705-H722 VanDerWaalsContact OG-CE1 3.27Å; S705-H722 PolarHBondContact OG-ND1 3.03Å; S705-H722 VanDerWaalsContact OG-ND1 3.13Å
706	R	86.6	Confident	88	Confident	152 Å²	152	36 Å²	36	57%	0.574	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	133.3	-176.3	-75.3	171.6	178.8	150.3	4.1	112.7	K708 D807 D833 F835	R706-K708 PolarHBondContact O-N 3.25Å; R706-K708 VanDerWaalsContact O-N 3.11Å; R706-D807 IonicContact CZ-OD2 3.32Å; R706-D807 IonicContact NE-OD2 2.91Å; R706-D807 PolarHBondContact NE-OD2 3.45Å; R706-D807 IonicContact NH2-OD2 3.04Å; R706-D807 PolarHBondContact NH2-OD2 3.02Å; R706-D833 VanDerWaalsContact CB-O 3.25Å; R706-D833 WeakPolarHBondContact CB-O 3.16Å; R706-D833 WeakPolarHBondContact CD-O 3.26Å; R706-D833 WeakPolarHBondContact CG-O 3.32Å; R706-F835 WeakPolarHBondContact CA-O 3.37Å
707	G	85.4	Confident	87.8	Confident	23 Å²	23	35.5 Å²	35.5	24%	0.237	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	-4	178	0	0	0	0	0	116.4	S705 S826 G827	S705-G707 PolarHBondContact O-N 3.33Å; G707-S826 WeakPolarHBondContact O-CB 3.23Å; G707-G827 PolarHBondContact O-N 3.03Å; G707-G827 VanDerWaalsContact O-N 3.07Å
708	K	90.2	Very high	86.9	Confident	110 Å²	110	34.9 Å²	34.9	48%	0.478	19%	0.193	S	C	.	.			trans	-82.6	148.5	-179.8	-61.9	-63.3	-174.7	176.6	0	112.4	S705 R706 V713	S705-K708 WeakPolarHBondContact O-CB 3.35Å; S705-K708 PolarHBondContact O-N 3.49Å; S705-K708 VanDerWaalsContact O-N 3.14Å; R706-K708 PolarHBondContact O-N 3.25Å; R706-K708 VanDerWaalsContact O-N 3.11Å; K708-V713 HydrophobicContact CB-CG2 3.83Å
709	S	93.5	Very high	85.6	Confident	4 Å²	4	38.4 Å²	38.4	3%	0.028	22%	0.215	C	C	.	.			trans	-73.6	157.4	172	74.7	0	0	0	0	111.3	A711 D712 V713 C823 T824 A825	S709-A711 VanDerWaalsContact C-N 3.25Å; S709-A711 PolarHBondContact O-N 3.1Å; S709-D712 PolarHBondContact O-N 3.15Å; S709-D712 PolarHBondContact OG-N 3.29Å; S709-D712 PolarHBondContact OG-OD2 3.32Å; S709-V713 WeakPolarHBondContact O-CG2 3.37Å; S709-V713 PolarHBondContact O-N 2.96Å; S709-C823 WeakPolarHBondContact CB-O 3.36Å; S709-T824 WeakPolarHBondContact CB-O 3.41Å; S709-A825 WeakPolarHBondContact CA-O 3.44Å; S709-A825 WeakPolarHBondContact CB-O 3.5Å
710	C	95	Very high	83.5	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.8	-29.6	173.5	-71.2	0	0	0	0	112.6	C714 C823 C839	C710-C714 WeakPolarHBondContact O-CB 3.16Å; C710-C714 PolarHBondContact O-N 3.33Å; C710-C714 PolarHBondContact O-SG 3.3Å; C710-C823 PolarHBondContact N-O 2.88Å; C710-C823 VanDerWaalsContact N-O 3.09Å; C710-C839 WeakPolarHBondContact CA-SG 3.28Å; C710-C839 HydrophobicContact CB-CB 3.6Å; C710-C839 WeakPolarHBondContact CB-SG 3.11Å; C710-C839 WeakPolarHBondContact SG-CA 3.47Å; C710-C839 WeakPolarHBondContact SG-CB 3.43Å; C710-C839 CovalentContact SG-SG 2.05Å; C710-C839 PolarHBondContact SG-SG 2.79Å
711	A	93.2	Very high	81.6	Confident	7 Å²	7	49 Å²	49	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-48.5	171.5	0	0	0	0	0	111.6	P452 S709 M715 C823	P452-A711 HydrophobicContact CG-CB 3.97Å; S709-A711 VanDerWaalsContact C-N 3.25Å; S709-A711 PolarHBondContact O-N 3.1Å; A711-M715 HydrophobicContact CB-CE 4Å; A711-M715 WeakPolarHBondContact O-CB 3.44Å; A711-M715 WeakPolarHBondContact O-CE 3.06Å; A711-M715 WeakPolarHBondContact O-CG 3.24Å; A711-M715 PolarHBondContact O-N 2.77Å; A711-C823 PolarHBondContact N-O 3.01Å
712	D	90.9	Very high	79.6	Confident	65 Å²	65	50.2 Å²	50.2	35%	0.348	28%	0.282	S	S	.	.	H	α-helix	trans	-67.3	-43.9	179.3	-59.8	-39	0	0	0	111.9	S709 C714 M715 N716	S709-D712 PolarHBondContact O-N 3.15Å; S709-D712 PolarHBondContact OG-N 3.29Å; S709-D712 PolarHBondContact OG-OD2 3.32Å; D712-C714 PolarHBondContact O-N 3.32Å; D712-M715 PolarHBondContact O-N 2.96Å; D712-N716 WeakPolarHBondContact O-CB 3.08Å; D712-N716 PolarHBondContact O-N 3.3Å; D712-N716 VanDerWaalsContact O-N 3.08Å; D712-N716 PolarHBondContact O-ND2 2.91Å
713	V	91.6	Very high	77.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59	-48.5	179	169.4	0	0	0	0	110.3	V702 G704 K708 S709 N716 L717 C839	V702-V713 HydrophobicContact CB-CG1 4.12Å; V702-V713 HydrophobicContact CG1-CG1 3.58Å; G704-V713 VanDerWaalsContact CA-CG2 3.46Å; K708-V713 HydrophobicContact CB-CG2 3.83Å; S709-V713 WeakPolarHBondContact O-CG2 3.37Å; S709-V713 PolarHBondContact O-N 2.96Å; V713-N716 PolarHBondContact O-N 3.08Å; V713-L717 WeakPolarHBondContact O-CG 3.08Å; V713-L717 PolarHBondContact O-N 3.5Å; V713-C839 HydrophobicContact CG1-CB 4.28Å
714	C	92.5	Very high	75.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65	-43	179.3	-60.9	0	0	0	0	111.6	C710 D712 N716 L717 F768 C841	C710-C714 WeakPolarHBondContact O-CB 3.16Å; C710-C714 PolarHBondContact O-N 3.33Å; C710-C714 PolarHBondContact O-SG 3.3Å; D712-C714 PolarHBondContact O-N 3.32Å; C714-N716 PolarHBondContact O-N 3.33Å; C714-L717 PolarHBondContact O-N 3.39Å; C714-F768 CarbonylContact C-O 3.59Å; C714-F768 HydrophobicContact CB-CB 4.26Å; C714-F768 VanDerWaalsContact O-CB 3.27Å; C714-F768 WeakPolarHBondContact O-CB 3.08Å; C714-C841 WeakPolarHBondContact CA-SG 3.43Å; C714-C841 HydrophobicContact CB-CB 3.77Å; C714-C841 WeakPolarHBondContact CB-SG 3.24Å; C714-C841 WeakPolarHBondContact SG-CA 3.22Å; C714-C841 WeakPolarHBondContact SG-CB 3.27Å; C714-C841 CovalentContact SG-SG 2.03Å; C714-C841 PolarHBondContact SG-SG 2.88Å
715	M	87.5	Confident	73.9	Confident	69 Å²	69	56.9 Å²	56.9	34%	0.34	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-32.2	-180	-76.2	-170.9	-104.4	0	0	112.8	A711 D712 F768	A711-M715 HydrophobicContact CB-CE 4Å; A711-M715 WeakPolarHBondContact O-CB 3.44Å; A711-M715 WeakPolarHBondContact O-CE 3.06Å; A711-M715 WeakPolarHBondContact O-CG 3.24Å; A711-M715 PolarHBondContact O-N 2.77Å; D712-M715 PolarHBondContact O-N 2.96Å; M715-F768 PolarHBondContact N-O 2.83Å
716	N	84.1	Confident	71.8	Confident	73 Å²	73	57.6 Å²	57.6	39%	0.39	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	10.9	-176.7	-64.5	-52.2	0	0	0	114.8	D712 V713 C714 G718 T719 H722	D712-N716 WeakPolarHBondContact O-CB 3.08Å; D712-N716 PolarHBondContact O-N 3.3Å; D712-N716 VanDerWaalsContact O-N 3.08Å; D712-N716 PolarHBondContact O-ND2 2.91Å; V713-N716 PolarHBondContact O-N 3.08Å; C714-N716 PolarHBondContact O-N 3.33Å; N716-G718 PolarHBondContact O-N 3.46Å; N716-T719 PolarHBondContact O-N 3.05Å; N716-T719 PolarHBondContact O-OG1 3.37Å; N716-H722 PolarHBondContact O-CD2 3.37Å
717	L	78.8	Confident	69.3	Low	19 Å²	19	53.8 Å²	53.8	10%	0.099	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-12.7	-177.6	-86.4	-177.8	0	0	0	116.5	V702 V713 C714 H722 L724 F768 C841	V702-L717 HydrophobicContact CB-CD2 4.29Å; V702-L717 HydrophobicContact CG1-CD2 3.67Å; V702-L717 HydrophobicContact CG2-CD1 3.65Å; V702-L717 HydrophobicContact CG2-CD2 3.65Å; V702-L717 HydrophobicContact CG2-CG 4.18Å; V713-L717 WeakPolarHBondContact O-CG 3.08Å; V713-L717 PolarHBondContact O-N 3.5Å; C714-L717 PolarHBondContact O-N 3.39Å; L717-H722 HydrophobicContact CD2-CB 3.96Å; L717-L724 HydrophobicContact CD2-CD2 4.04Å; L717-F768 HydrophobicContact CB-CB 4.5Å; L717-F768 HydrophobicContact CB-CD2 4.03Å; L717-F768 HydrophobicContact CB-CG 4.44Å; L717-F768 HydrophobicContact CD1-CB 3.81Å; L717-F768 HydrophobicContact CD1-CD1 4.19Å; L717-F768 HydrophobicContact CD1-CD2 4.1Å; L717-F768 HydrophobicContact CD1-CG 3.76Å; L717-C841 HydrophobicContact CD1-CB 3.81Å
718	G	60.6	Low	66.8	Low	67 Å²	67	58.5 Å²	58.5	69%	0.691	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-5.1	177.1	0	0	0	0	0	115.2	N716	N716-G718 PolarHBondContact O-N 3.46Å
719	T	54.4	Low	64.2	Low	80 Å²	80	60.9 Å²	60.9	49%	0.491	36%	0.364	S	S	.	.	S	Bend	trans	-107.9	64.2	-174.5	58.8	0	0	0	0	110.7	N716 E721	N716-T719 PolarHBondContact O-N 3.05Å; N716-T719 PolarHBondContact O-OG1 3.37Å; T719-E721 PolarHBondContact O-N 2.87Å
720	S	44.6	Very low	61.3	Low	118 Å²	118	65.8 Å²	65.8	83%	0.825	39%	0.389	S	S	*	.	S	Bend	trans	46.1	1.3	163.9	57.3	0	0	0	0	122.2
721	E	45.7	Very low	58.2	Low	149 Å²	149	69.6 Å²	69.6	70%	0.696	42%	0.416	S	S	*	.			trans	-107.4	4.6	-170.8	-71.9	-168	168.1	0	0	115.6	T719	T719-E721 PolarHBondContact O-N 2.87Å
722	H	47.2	Very low	55.2	Low	34 Å²	34	70.9 Å²	70.9	16%	0.157	43%	0.426	C	S	.	.			trans	-123.7	133.9	-170.9	-58.3	-52.1	0	0	0	113.4	V702 S705 N716 L717 L724	V702-H722 HydrophobicContact CG1-CB 4.33Å; S705-H722 PolarHBondContact OG-CE1 3.35Å; S705-H722 VanDerWaalsContact OG-CE1 3.27Å; S705-H722 PolarHBondContact OG-ND1 3.03Å; S705-H722 VanDerWaalsContact OG-ND1 3.13Å; N716-H722 PolarHBondContact O-CD2 3.37Å; L717-H722 HydrophobicContact CD2-CB 3.96Å; H722-L724 PolarHBondContact O-N 3.44Å
723	T	44.9	Very low	52.3	Low	104 Å²	104	76.2 Å²	76.2	64%	0.638	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	108.5	172.4	-48.6	0	0	0	0	109.6	L725	T723-L725 PolarHBondContact O-N 2.77Å
724	L	51.3	Low	49.4	Very low	62 Å²	62	78.3 Å²	78.3	33%	0.325	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	121.5	173.6	-69.2	167.1	0	0	0	109.7	L717 H722 L726 A732	L717-L724 HydrophobicContact CD2-CD2 4.04Å; H722-L724 PolarHBondContact O-N 3.44Å; L724-L726 VanDerWaalsContact C-N 3.27Å; L724-L726 PolarHBondContact O-N 2.9Å; L724-L726 VanDerWaalsContact O-N 3.11Å; L724-A732 HydrophobicContact CD1-CB 3.61Å
725	L	48.8	Very low	46.6	Very low	23 Å²	23	82.2 Å²	82.2	12%	0.12	48%	0.477	C	S	.	.			trans	-85.8	69.1	173.4	-62.6	169.5	0	0	0	109.2	I701 L703 T723 L787 V789	I701-L725 HydrophobicContact CG2-CD1 4.41Å; L703-L725 HydrophobicContact CB-CD1 4.03Å; L703-L725 HydrophobicContact CB-CG 4.44Å; T723-L725 PolarHBondContact O-N 2.77Å; L725-L787 HydrophobicContact CB-CB 4.4Å; L725-V789 HydrophobicContact CD1-CG2 3.43Å; L725-V789 VanDerWaalsContact CD1-CG2 3.43Å; L725-V789 HydrophobicContact CD2-CG2 3.69Å; L725-V789 HydrophobicContact CG-CG2 4.14Å
726	L	42.2	Very low	44.1	Very low	51 Å²	51	85.5 Å²	85.5	27%	0.267	50%	0.496	S	S	.	.	S	Bend	trans	-138.9	147.1	176.4	-74.9	171	0	0	0	111.1	K700 L724 L787	K700-L726 HydrophobicContact CD-CD1 4.35Å; K700-L726 HydrophobicContact CG-CD1 4.28Å; L724-L726 VanDerWaalsContact C-N 3.27Å; L724-L726 PolarHBondContact O-N 2.9Å; L724-L726 VanDerWaalsContact O-N 3.11Å; L726-L787 HydrophobicContact CD2-CD2 4.3Å
727	P	32.3	Very low	41.5	Very low	72 Å²	72	88 Å²	88	47%	0.468	51%	0.509	S	S	.	.			trans	-56.3	143.2	169.2	-18.1	29.6	0	0	0	110.6	N729 I730	P727-N729 PolarHBondContact O-N 3.32Å; P727-I730 PolarHBondContact O-N 2.9Å
728	S	33.7	Very low	39.3	Very low	122 Å²	122	91.3 Å²	91.3	85%	0.853	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	0	-173.8	28.4	0	0	0	0	116.9
729	N	35.5	Very low	38	Very low	159 Å²	159	93.6 Å²	93.6	85%	0.85	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	4.7	179.5	-81	-7.7	0	0	0	115	P727	P727-N729 PolarHBondContact O-N 3.32Å
730	I	33.3	Very low	36.9	Very low	107 Å²	107	98 Å²	98	55%	0.549	54%	0.538	S	S	.	.	S	Bend	trans	-128.4	73.6	174.5	-50.4	177.1	0	0	0	108.7	P727 A732	P727-I730 PolarHBondContact O-N 2.9Å; I730-A732 PolarHBondContact O-N 2.85Å
731	S	29.9	Very low	36.3	Very low	81 Å²	81	97 Å²	97	57%	0.566	52%	0.521	S	S	*	.			trans	-67.5	125.5	177	66.7	0	0	0	0	110.2	Y733	S731-Y733 PolarHBondContact O-N 3.38Å
732	A	29.8	Very low	35.6	Very low	34 Å²	34	98.3 Å²	98.3	28%	0.281	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	8	177.5	0	0	0	0	0	113.9	L724 I730	L724-A732 HydrophobicContact CD1-CB 3.61Å; I730-A732 PolarHBondContact O-N 2.85Å
733	Y	29.5	Very low	35.1	Very low	177 Å²	177	105.1 Å²	105.1	69%	0.694	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-0.3	-176.8	-87.5	-85.9	0	0	0	114.8	S731	S731-Y733 PolarHBondContact O-N 3.38Å
734	S	30.2	Very low	35.3	Very low	44 Å²	44	105 Å²	105	31%	0.308	55%	0.553	S	S	.	*	S	Bend	trans	-89.7	0.1	-177.4	87	0	0	0	0	116.1	K738	S734-K738 VanDerWaalsContact O-CB 3.29Å; S734-K738 WeakPolarHBondContact O-CB 3.32Å; S734-K738 WeakPolarHBondContact O-CD 3.48Å; S734-K738 WeakPolarHBondContact O-CG 3.23Å; S734-K738 WeakPolarHBondContact OG-CE 3.41Å; S734-K738 PolarHBondContact OG-NZ 3.48Å
735	I	35.5	Very low	35.1	Very low	81 Å²	81	107.5 Å²	107.5	42%	0.415	56%	0.563	S	S	.	*	S	Bend	trans	-88.8	-26.5	-173.5	-59.5	176.6	0	0	0	112.2	N737 K738 Y766	I735-N737 PolarHBondContact O-N 2.87Å; I735-N737 VanDerWaalsContact O-N 3.13Å; I735-K738 PolarHBondContact O-N 3.42Å; I735-Y766 HydrophobicContact CG2-CD1 3.95Å; I735-Y766 HydrophobicContact CG2-CE1 4.38Å
736	L	34.7	Very low	35.3	Very low	138 Å²	138	109.8 Å²	109.8	72%	0.723	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-14.7	-176.6	-88.9	141.1	0	0	0	115
737	N	29.7	Very low	36.7	Very low	126 Å²	126	107.6 Å²	107.6	67%	0.674	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.1	11.5	178.4	-93.1	-17.5	0	0	0	114.2	I735 T739 Q740	I735-N737 PolarHBondContact O-N 2.87Å; I735-N737 VanDerWaalsContact O-N 3.13Å; N737-T739 PolarHBondContact O-N 3.4Å; N737-Q740 PolarHBondContact O-N 2.97Å
738	K	31.2	Very low	39.2	Very low	88 Å²	88	104.3 Å²	104.3	38%	0.383	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-83.1	-4.6	-176.4	-101.2	179.4	-173.1	173.6	0	115.9	S734 I735 Q740 H741	S734-K738 VanDerWaalsContact O-CB 3.29Å; S734-K738 WeakPolarHBondContact O-CB 3.32Å; S734-K738 WeakPolarHBondContact O-CD 3.48Å; S734-K738 WeakPolarHBondContact O-CG 3.23Å; S734-K738 WeakPolarHBondContact OG-CE 3.41Å; S734-K738 PolarHBondContact OG-NZ 3.48Å; I735-K738 PolarHBondContact O-N 3.42Å; K738-Q740 PolarHBondContact O-N 3.37Å; K738-H741 WeakPolarHBondContact CE-NE2 3.04Å; K738-H741 HydrophobicContact CG-CB 3.99Å; K738-H741 WeakPolarHBondContact CG-CD2 3.47Å; K738-H741 PolarHBondContact O-N 3.16Å
739	T	34.3	Very low	41.4	Very low	115 Å²	115	101.1 Å²	101.1	71%	0.706	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-73.5	-5.9	163.3	39.1	0	0	0	0	113	N737	N737-T739 PolarHBondContact O-N 3.4Å
740	Q	31.3	Very low	43.4	Very low	173 Å²	173	97.1 Å²	97.1	81%	0.808	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-110.2	10.1	166.4	-79.4	-172.7	-14.7	0	0	114.1	N737 K738 Q742	N737-Q740 PolarHBondContact O-N 2.97Å; K738-Q740 PolarHBondContact O-N 3.37Å; Q740-Q742 PolarHBondContact O-N 2.91Å
741	H	31.4	Very low	45.9	Very low	98 Å²	98	92.7 Å²	92.7	45%	0.454	47%	0.466	S	S	.	.			trans	-74.9	122.5	168.7	-100.6	-93.5	0	0	0	109.8	K738 Q743 I744	K738-H741 WeakPolarHBondContact CE-NE2 3.04Å; K738-H741 HydrophobicContact CG-CB 3.99Å; K738-H741 WeakPolarHBondContact CG-CD2 3.47Å; K738-H741 PolarHBondContact O-N 3.16Å; H741-Q743 PolarHBondContact O-N 2.87Å; H741-I744 PolarHBondContact O-N 3.01Å
742	Q	31.5	Very low	48.5	Very low	175 Å²	175	89.1 Å²	89.1	82%	0.818	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	2	177.5	-79.6	175.5	-33.1	0	0	115.9	Q740	Q740-Q742 PolarHBondContact O-N 2.91Å
743	Q	36.2	Very low	50.8	Low	177 Å²	177	90.4 Å²	90.4	83%	0.827	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-7	-174.3	-74.1	-177.3	-22.6	0	0	115.5	H741	H741-Q743 PolarHBondContact O-N 2.87Å
744	I	48.3	Very low	53.3	Low	103 Å²	103	86 Å²	86	53%	0.528	44%	0.435	S	S	.	.			trans	-122.5	64.7	173.4	-46.5	176	0	0	0	109.4	H741 Y750	H741-I744 PolarHBondContact O-N 3.01Å; I744-Y750 WeakPolarHBondContact O-CD2 3.44Å
745	Q	48.6	Very low	55.9	Low	113 Å²	113	88 Å²	88	53%	0.528	44%	0.439	S	S	.	.			trans	-97.8	3.2	175.7	-70	-163	-17.1	0	0	113.6	Y750	Q745-Y750 VanDerWaalsContact O-CD1 3.28Å; Q745-Y750 WeakPolarHBondContact O-CD1 3.36Å; Q745-Y750 WeakPolarHBondContact O-CE1 3.26Å
746	N	53.2	Low	58	Low	72 Å²	72	85 Å²	85	39%	0.385	43%	0.425	S	S	.	.	S	Bend	trans	-142.8	159.9	-170.9	-60.1	-63.1	0	0	0	112	A273	A273-N746 HydrophobicContact CB-CB 4.38Å; A273-N746 WeakPolarHBondContact CB-ND2 3.27Å
747	G	71.7	Confident	59.9	Low	5 Å²	5	81.3 Å²	81.3	5%	0.052	41%	0.409	C	S	.	.	S	Bend	trans	90.4	-179.9	178.7	0	0	0	0	0	115.9	P271 I749 Y750 Y751	P271-G747 PolarHBondContact O-N 2.9Å; G747-I749 PolarHBondContact O-N 2.74Å; G747-Y750 PolarHBondContact O-N 3.28Å; G747-Y751 PolarHBondContact O-N 2.68Å
748	Y	83.9	Confident	61.8	Low	2 Å²	2	80.4 Å²	80.4	1%	0.008	41%	0.41	C	S	.	.	H	α-helix	trans	-61.3	-45.6	-169.8	180	-98	0	0	0	114.3	Y264 G267 V268 P304 W641 E645 Y750 Y751 R752 L856	Y264-Y748 AromaticContact CD2-CE2 3.77Å; Y264-Y748 HydrophobicContact CD2-CE2 3.77Å; Y264-Y748 AromaticContact CD2-CZ 3.98Å; Y264-Y748 VanDerWaalsContact CD2-OH 3.32Å; Y264-Y748 WeakPolarHBondContact CD2-OH 3.16Å; Y264-Y748 AromaticContact CE2-CE2 3.85Å; Y264-Y748 HydrophobicContact CE2-CE2 3.85Å; Y264-Y748 AromaticContact CE2-CZ 3.8Å; Y264-Y748 WeakPolarHBondContact CE2-OH 3.25Å; G267-Y748 VanDerWaalsContact C-CD2 3.43Å; V268-Y748 HydrophobicContact CG2-CD2 4.14Å; V268-Y748 HydrophobicContact CG2-CE2 4.13Å; P304-Y748 VanDerWaalsContact CD-CD1 3.4Å; P304-Y748 HydrophobicContact CG-CD1 3.45Å; P304-Y748 VanDerWaalsContact CG-CD1 3.45Å; P304-Y748 HydrophobicContact CG-CD2 3.73Å; P304-Y748 HydrophobicContact CG-CE1 3.38Å; P304-Y748 HydrophobicContact CG-CE2 3.68Å; P304-Y748 HydrophobicContact CG-CG 3.62Å; P304-Y748 VanDerWaalsContact CG-CZ 3.48Å; W641-Y748 HydrophobicContact CZ2-CE2 4.42Å; W641-Y748 PolarHBondContact NE1-OH 3.38Å; W641-Y748 VanDerWaalsContact NE1-OH 3.12Å; E645-Y748 VanDerWaalsContact OE2-CE1 3.22Å; E645-Y748 WeakPolarHBondContact OE2-CE1 3.25Å; E645-Y748 PolarHBondContact OE2-OH 3.09Å; Y748-Y750 VanDerWaalsContact C-N 3.26Å; Y748-Y750 PolarHBondContact O-N 2.56Å; Y748-Y751 WeakPolarHBondContact O-CB 3.45Å; Y748-Y751 PolarHBondContact O-N 3.02Å; Y748-R752 WeakPolarHBondContact O-CB 3.45Å; Y748-R752 PolarHBondContact O-N 3.1Å; Y748-L856 HydrophobicContact CD1-CD1 3.74Å; Y748-L856 HydrophobicContact CE1-CD1 3.59Å
749	I	80.1	Confident	63.6	Low	55 Å²	55	76.7 Å²	76.7	28%	0.282	40%	0.395	S	S	.	.	H	α-helix	trans	-61.5	-37.2	-179.8	-62.5	-60.5	0	0	0	111.4	G747 R752 S753 L845 L856	G747-I749 PolarHBondContact O-N 2.74Å; I749-R752 WeakPolarHBondContact O-CB 3.3Å; I749-R752 PolarHBondContact O-N 3.2Å; I749-S753 PolarHBondContact O-N 3.18Å; I749-L845 HydrophobicContact CD1-CD1 4.31Å; I749-L845 HydrophobicContact CD1-CD2 3.79Å; I749-L856 HydrophobicContact CD1-CD1 3.75Å
750	Y	77.4	Confident	65.1	Low	76 Å²	76	73.6 Å²	73.6	30%	0.298	38%	0.377	S	S	.	.	H	α-helix	trans	-69	-46.1	174.4	178	-99.2	0	0	0	111.4	F270 I744 Q745 G747 Y748 R752 S753 I754	F270-Y750 AromaticContact CE1-CD1 3.89Å; F270-Y750 HydrophobicContact CE1-CD1 3.89Å; F270-Y750 HydrophobicContact CE1-CE1 4.29Å; F270-Y750 HydrophobicContact CZ-CD1 4.43Å; F270-Y750 HydrophobicContact CZ-CE1 4.44Å; I744-Y750 WeakPolarHBondContact O-CD2 3.44Å; Q745-Y750 VanDerWaalsContact O-CD1 3.28Å; Q745-Y750 WeakPolarHBondContact O-CD1 3.36Å; Q745-Y750 WeakPolarHBondContact O-CE1 3.26Å; G747-Y750 PolarHBondContact O-N 3.28Å; Y748-Y750 VanDerWaalsContact C-N 3.26Å; Y748-Y750 PolarHBondContact O-N 2.56Å; Y750-R752 PolarHBondContact O-N 2.95Å; Y750-S753 PolarHBondContact O-N 3.18Å; Y750-S753 VanDerWaalsContact O-N 3.1Å; Y750-S753 PolarHBondContact O-OG 3Å; Y750-I754 HydrophobicContact CD1-CD1 4.38Å; Y750-I754 HydrophobicContact CE1-CD1 3.99Å; Y750-I754 HydrophobicContact CE1-CG2 4.23Å; Y750-I754 HydrophobicContact CE2-CG2 4.07Å; Y750-I754 PolarHBondContact O-N 2.72Å
751	Y	85	Confident	66.7	Low	13 Å²	13	67.7 Å²	67.7	5%	0.051	35%	0.35	C	S	.	.	H	α-helix	trans	-54.7	-40	172.7	179.4	-88.5	0	0	0	111.8	H263 N266 G267 F270 W641 G747 Y748 I754 H755	H263-Y751 PolarHBondContact ND1-OH 2.86Å; H263-Y751 WeakPolarHBondContact O-CE1 3.33Å; N266-Y751 HydrophobicContact CB-CE2 4.37Å; G267-Y751 VanDerWaalsContact CA-CE1 3.48Å; G267-Y751 VanDerWaalsContact CA-CG 3.44Å; F270-Y751 HydrophobicContact CB-CD2 4.04Å; F270-Y751 HydrophobicContact CB-CG 4.29Å; F270-Y751 AromaticContact CD2-CD2 3.48Å; F270-Y751 HydrophobicContact CD2-CD2 3.48Å; F270-Y751 VanDerWaalsContact CD2-CD2 3.48Å; F270-Y751 HydrophobicContact CD2-CE2 4.2Å; F270-Y751 HydrophobicContact CD2-CG 4.39Å; F270-Y751 HydrophobicContact CE2-CD2 4.07Å; F270-Y751 AromaticContact CG-CD2 3.82Å; F270-Y751 HydrophobicContact CG-CD2 3.82Å; F270-Y751 HydrophobicContact CG-CG 4.31Å; W641-Y751 AromaticContact CH2-CD1 3.74Å; W641-Y751 HydrophobicContact CH2-CD1 3.74Å; W641-Y751 AromaticContact CH2-CE1 3.59Å; W641-Y751 HydrophobicContact CH2-CE1 3.59Å; W641-Y751 AromaticContact CZ2-CD1 3.92Å; W641-Y751 HydrophobicContact CZ2-CD1 3.92Å; W641-Y751 AromaticContact CZ2-CE1 3.89Å; W641-Y751 HydrophobicContact CZ2-CE1 3.89Å; W641-Y751 HydrophobicContact CZ3-CE1 4.33Å; G747-Y751 PolarHBondContact O-N 2.68Å; Y748-Y751 WeakPolarHBondContact O-CB 3.45Å; Y748-Y751 PolarHBondContact O-N 3.02Å; Y751-I754 VanDerWaalsContact O-CG1 3.27Å; Y751-I754 WeakPolarHBondContact O-CG1 3.47Å; Y751-H755 AromaticContact CD1-ND1 3.79Å; Y751-H755 AromaticContact CD2-CE1 3.36Å; Y751-H755 WeakPolarHBondContact CD2-CE1 3.44Å; Y751-H755 AromaticContact CD2-ND1 3.32Å; Y751-H755 VanDerWaalsContact CD2-ND1 3.32Å; Y751-H755 WeakPolarHBondContact CD2-ND1 3.49Å; Y751-H755 HydrophobicContact CE1-CB 4.27Å; Y751-H755 AromaticContact CE1-ND1 3.7Å; Y751-H755 AromaticContact CE2-CE1 3.1Å; Y751-H755 WeakPolarHBondContact CE2-CE1 3.25Å; Y751-H755 AromaticContact CE2-ND1 3.24Å; Y751-H755 WeakPolarHBondContact CE2-ND1 3.25Å; Y751-H755 AromaticContact CE2-NE2 3.8Å; Y751-H755 AromaticContact CG-ND1 3.61Å; Y751-H755 AromaticContact CZ-CE1 3.66Å; Y751-H755 AromaticContact CZ-CG 3.82Å; Y751-H755 AromaticContact CZ-ND1 3.41Å; Y751-H755 WeakPolarHBondContact O-CB 3.09Å; Y751-H755 PolarHBondContact O-N 3.4Å; Y751-H755 VanDerWaalsContact O-N 3.14Å; Y751-H755 PolarHBondContact O-ND1 3.41Å
752	R	85.6	Confident	67.9	Low	6 Å²	6	68.3 Å²	68.3	2%	0.023	36%	0.357	C	S	.	.	H	α-helix	trans	-65.6	-43.8	176.9	-171.2	-179	177.7	-72	-10	112.1	H636 W641 E645 Y748 I749 Y750 I754 H755 S756 P846	H636-R752 PolarHBondContact CD2-NH2 2.6Å; H636-R752 VanDerWaalsContact CD2-NH2 3.25Å; W641-R752 HydrophobicContact CH2-CB 4.4Å; W641-R752 HydrophobicContact CH2-CG 4.38Å; W641-R752 HydrophobicContact CZ2-CB 4.35Å; W641-R752 HydrophobicContact CZ2-CG 4.3Å; E645-R752 IonicContact OE1-NE 3.09Å; E645-R752 PolarHBondContact OE1-NE 2.87Å; E645-R752 IonicContact OE1-NH2 3.95Å; E645-R752 VanDerWaalsContact OE2-CD 3.27Å; E645-R752 WeakPolarHBondContact OE2-CD 3.3Å; E645-R752 IonicContact OE2-NE 2.92Å; E645-R752 PolarHBondContact OE2-NE 3.34Å; E645-R752 VanDerWaalsContact OE2-NE 3.08Å; Y748-R752 WeakPolarHBondContact O-CB 3.45Å; Y748-R752 PolarHBondContact O-N 3.1Å; I749-R752 WeakPolarHBondContact O-CB 3.3Å; I749-R752 PolarHBondContact O-N 3.2Å; Y750-R752 PolarHBondContact O-N 2.95Å; R752-I754 VanDerWaalsContact C-N 3.29Å; R752-I754 PolarHBondContact O-N 3.14Å; R752-H755 PolarHBondContact O-N 3.16Å; R752-S756 WeakPolarHBondContact O-CB 3.37Å; R752-S756 PolarHBondContact O-N 2.86Å; R752-S756 PolarHBondContact O-OG 2.97Å; R752-P846 VanDerWaalsContact CZ-O 3.23Å; R752-P846 PolarHBondContact NH1-O 3.42Å; R752-P846 PolarHBondContact NH2-O 2.9Å
753	S	78	Confident	69.1	Low	62 Å²	62	64.3 Å²	64.3	43%	0.434	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-32	-179.2	68.5	0	0	0	0	113.1	I749 Y750	I749-S753 PolarHBondContact O-N 3.18Å; Y750-S753 PolarHBondContact O-N 3.18Å; Y750-S753 VanDerWaalsContact O-N 3.1Å; Y750-S753 PolarHBondContact O-OG 3Å
754	I	81.3	Confident	70.2	Confident	84 Å²	84	58 Å²	58	43%	0.431	32%	0.317	S	S	.	.	H	α-helix	trans	-86.3	-27.5	-179.8	68.3	-179.5	0	0	0	113.6	Y750 Y751 R752	Y750-I754 HydrophobicContact CD1-CD1 4.38Å; Y750-I754 HydrophobicContact CE1-CD1 3.99Å; Y750-I754 HydrophobicContact CE1-CG2 4.23Å; Y750-I754 HydrophobicContact CE2-CG2 4.07Å; Y750-I754 PolarHBondContact O-N 2.72Å; Y751-I754 VanDerWaalsContact O-CG1 3.27Å; Y751-I754 WeakPolarHBondContact O-CG1 3.47Å; R752-I754 VanDerWaalsContact C-N 3.29Å; R752-I754 PolarHBondContact O-N 3.14Å
755	H	85.1	Confident	70.5	Confident	87 Å²	87	54 Å²	54	40%	0.403	30%	0.296	S	S	.	.	H	α-helix	trans	-104.9	-17.1	-176.1	-65.4	96.8	0	0	0	114.5	W641 Y751 R752	W641-H755 HydrophobicContact CH2-CB 4.03Å; W641-H755 HydrophobicContact CZ3-CB 3.86Å; Y751-H755 AromaticContact CD1-ND1 3.79Å; Y751-H755 AromaticContact CD2-CE1 3.36Å; Y751-H755 WeakPolarHBondContact CD2-CE1 3.44Å; Y751-H755 AromaticContact CD2-ND1 3.32Å; Y751-H755 VanDerWaalsContact CD2-ND1 3.32Å; Y751-H755 WeakPolarHBondContact CD2-ND1 3.49Å; Y751-H755 HydrophobicContact CE1-CB 4.27Å; Y751-H755 AromaticContact CE1-ND1 3.7Å; Y751-H755 AromaticContact CE2-CE1 3.1Å; Y751-H755 WeakPolarHBondContact CE2-CE1 3.25Å; Y751-H755 AromaticContact CE2-ND1 3.24Å; Y751-H755 WeakPolarHBondContact CE2-ND1 3.25Å; Y751-H755 AromaticContact CE2-NE2 3.8Å; Y751-H755 AromaticContact CG-ND1 3.61Å; Y751-H755 AromaticContact CZ-CE1 3.66Å; Y751-H755 AromaticContact CZ-CG 3.82Å; Y751-H755 AromaticContact CZ-ND1 3.41Å; Y751-H755 WeakPolarHBondContact O-CB 3.09Å; Y751-H755 PolarHBondContact O-N 3.4Å; Y751-H755 VanDerWaalsContact O-N 3.14Å; Y751-H755 PolarHBondContact O-ND1 3.41Å; R752-H755 PolarHBondContact O-N 3.16Å
756	S	80	Confident	71.1	Confident	17 Å²	17	53.2 Å²	53.2	12%	0.119	29%	0.289	C	S	.	.	S	Bend	trans	-76.4	146.3	174.5	64.7	0	0	0	0	110.8	R752 P758	R752-S756 WeakPolarHBondContact O-CB 3.37Å; R752-S756 PolarHBondContact O-N 2.86Å; R752-S756 PolarHBondContact O-OG 2.97Å; S756-P758 WeakPolarHBondContact O-CD 3.47Å
757	T	73.7	Confident	72	Confident	61 Å²	61	51.1 Å²	51.1	37%	0.374	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-64.6	120.5	173.7	39.2	0	0	0	0	109.2	R634 N847	R634-T757 PolarHBondContact O-OG1 3.11Å; T757-N847 PolarHBondContact O-ND2 2.84Å
758	P	69.5	Low	72.8	Confident	107 Å²	107	51.9 Å²	51.9	70%	0.695	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-66.1	144.4	177.7	26.7	-32.9	0	0	0	110	Y633 S756	Y633-P758 VanDerWaalsContact CE2-O 3.24Å; Y633-P758 WeakPolarHBondContact CE2-O 3.28Å; S756-P758 WeakPolarHBondContact O-CD 3.47Å
759	S	69.6	Low	73.2	Confident	9 Å²	9	52.8 Å²	52.8	6%	0.063	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-74.5	139.8	173.3	-177.6	0	0	0	0	110.7	H600 Y633 N761 N847	H600-S759 PolarHBondContact O-OG 2.71Å; Y633-S759 WeakPolarHBondContact OH-CA 3.29Å; S759-N761 PolarHBondContact O-N 3.42Å; S759-N761 PolarHBondContact OG-N 3.31Å; S759-N761 VanDerWaalsContact OG-N 3.11Å; S759-N847 WeakPolarHBondContact CB-OD1 3.48Å; S759-N847 PolarHBondContact N-ND2 3.08Å
760	P	67.1	Low	74	Confident	51 Å²	51	50.4 Å²	50.4	33%	0.331	27%	0.273	S	S	.	.	S	Bend	trans	-63.1	-27.8	168.2	29.6	-37.8	0	0	0	112	I601 Y605 Y633	I601-P760 WeakPolarHBondContact O-CG 3.37Å; Y605-P760 HydrophobicContact CD2-CG 3.96Å; Y605-P760 HydrophobicContact CE2-CB 3.99Å; Y605-P760 HydrophobicContact CE2-CG 3.73Å; Y633-P760 HydrophobicContact CE1-CG 4.34Å; Y633-P760 VanDerWaalsContact CZ-CD 3.46Å
761	N	64	Low	74.8	Confident	48 Å²	48	46.8 Å²	46.8	26%	0.257	26%	0.258	S	S	.	.			trans	-102.8	85	-178.4	-167.6	-6.6	0	0	0	111.3	N599 S759 S763 Y764	N599-N761 PolarHBondContact O-ND2 3.09Å; S759-N761 PolarHBondContact O-N 3.42Å; S759-N761 PolarHBondContact OG-N 3.31Å; S759-N761 VanDerWaalsContact OG-N 3.11Å; N761-S763 PolarHBondContact O-N 3.37Å; N761-S763 PolarHBondContact OD1-N 3.3Å; N761-S763 PolarHBondContact OD1-OG 2.71Å; N761-Y764 PolarHBondContact O-N 3.15Å
762	L	57.3	Low	75.3	Confident	112 Å²	112	47 Å²	47	59%	0.586	26%	0.262	S	S	*	.	H	α-helix	trans	-61.1	-28.4	-180	-80.2	125.8	0	0	0	113.7	Y764 L765 Y766	L762-Y764 PolarHBondContact O-N 3.25Å; L762-L765 PolarHBondContact O-N 3.4Å; L762-Y766 HydrophobicContact CD2-CE2 4.39Å
763	S	56.2	Low	75.6	Confident	91 Å²	91	48.4 Å²	48.4	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-61.1	-31.6	-175.9	70.6	0	0	0	0	112.4	N761 T767	N761-S763 PolarHBondContact O-N 3.37Å; N761-S763 PolarHBondContact OD1-N 3.3Å; N761-S763 PolarHBondContact OD1-OG 2.71Å; S763-T767 WeakPolarHBondContact O-CG2 3.21Å
764	Y	58.1	Low	76.4	Confident	45 Å²	45	45.5 Å²	45.5	18%	0.176	25%	0.248	C	C	.	.	H	α-helix	trans	-84.7	-23.9	-177	-166.4	-95.5	0	0	0	113.4	H600 N761 L762 Y766 T767 R769 I849	H600-Y764 AromaticContact CD2-CD1 3.48Å; H600-Y764 VanDerWaalsContact CD2-CD1 3.48Å; H600-Y764 WeakPolarHBondContact CD2-CD1 3.29Å; H600-Y764 AromaticContact CD2-CE1 2.94Å; H600-Y764 WeakPolarHBondContact CD2-CE1 3.41Å; H600-Y764 AromaticContact CD2-CZ 3.51Å; H600-Y764 AromaticContact CE1-CE1 3.63Å; H600-Y764 AromaticContact CE1-CE2 3.94Å; H600-Y764 AromaticContact CE1-CZ 3.28Å; H600-Y764 PolarHBondContact CE1-OH 3.01Å; H600-Y764 AromaticContact CG-CD1 3.9Å; H600-Y764 AromaticContact CG-CE1 3.69Å; H600-Y764 AromaticContact ND1-CZ 3.95Å; H600-Y764 AromaticContact NE2-CD1 3.91Å; H600-Y764 AromaticContact NE2-CE1 2.93Å; H600-Y764 WeakPolarHBondContact NE2-CE1 3.42Å; H600-Y764 AromaticContact NE2-CZ 2.98Å; H600-Y764 PolarHBondContact NE2-OH 3.47Å; N761-Y764 PolarHBondContact O-N 3.15Å; L762-Y764 PolarHBondContact O-N 3.25Å; Y764-Y766 VanDerWaalsContact C-N 3.28Å; Y764-Y766 PolarHBondContact O-N 2.97Å; Y764-T767 PolarHBondContact O-OG1 2.96Å; Y764-R769 PolarHBondContact OH-NH2 2.92Å; Y764-R769 VanDerWaalsContact OH-NH2 3.14Å; Y764-I849 HydrophobicContact CE1-CD1 4.05Å; Y764-I849 VanDerWaalsContact OH-CD1 3.3Å; Y764-I849 WeakPolarHBondContact OH-CD1 3.17Å
765	L	54.7	Low	77	Confident	18 Å²	18	41.5 Å²	41.5	9%	0.094	23%	0.227	C	C	.	.	H	α-helix	trans	-66.3	-24.2	-171.2	-72.2	178.5	0	0	0	115	L762 P846 N847	L762-L765 PolarHBondContact O-N 3.4Å; L765-P846 HydrophobicContact CB-CB 4.4Å; L765-P846 HydrophobicContact CD1-CB 4.48Å; L765-P846 HydrophobicContact CD2-CB 4.03Å; L765-N847 HydrophobicContact CD2-CB 4.45Å; L765-N847 VanDerWaalsContact CD2-N 3.3Å; L765-N847 VanDerWaalsContact CD2-OD1 3.26Å; L765-N847 WeakPolarHBondContact CD2-OD1 3.34Å
766	Y	61.2	Low	77.3	Confident	96 Å²	96	37.5 Å²	37.5	38%	0.376	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	13.8	-171.7	-58	-75.1	0	0	0	113.5	I735 L762 Y764 P846	I735-Y766 HydrophobicContact CG2-CD1 3.95Å; I735-Y766 HydrophobicContact CG2-CE1 4.38Å; L762-Y766 HydrophobicContact CD2-CE2 4.39Å; Y764-Y766 VanDerWaalsContact C-N 3.28Å; Y764-Y766 PolarHBondContact O-N 2.97Å; Y766-P846 HydrophobicContact CE1-CG 4.16Å
767	T	72.4	Confident	77.7	Confident	29 Å²	29	36.7 Å²	36.7	18%	0.178	20%	0.204	C	C	.	.			trans	-81.2	139.8	-178	48.1	0	0	0	0	110.1	S763 Y764 R769	S763-T767 WeakPolarHBondContact O-CG2 3.21Å; Y764-T767 PolarHBondContact O-OG1 2.96Å; T767-R769 PolarHBondContact O-NH1 3.43Å; T767-R769 PolarHBondContact OG1-NH1 3.38Å; T767-R769 PolarHBondContact OG1-NH2 3.05Å
768	F	89.6	Confident	78.5	Confident	20 Å²	20	33.8 Å²	33.8	9%	0.088	19%	0.186	C	C	.	.			trans	-73.7	158.2	176.7	-73.8	-104.2	0	0	0	110.4	K700 C714 M715 L717 C841 R842 D843	K700-F768 HydrophobicContact CB-CE1 4.47Å; K700-F768 HydrophobicContact CD-CD1 4.05Å; K700-F768 HydrophobicContact CD-CE1 3.34Å; K700-F768 HydrophobicContact CD-CE2 4.44Å; K700-F768 HydrophobicContact CD-CZ 3.61Å; K700-F768 HydrophobicContact CG-CD1 4.36Å; K700-F768 HydrophobicContact CG-CE1 3.79Å; K700-F768 HydrophobicContact CG-CZ 4.5Å; C714-F768 CarbonylContact C-O 3.59Å; C714-F768 HydrophobicContact CB-CB 4.26Å; C714-F768 VanDerWaalsContact O-CB 3.27Å; C714-F768 WeakPolarHBondContact O-CB 3.08Å; M715-F768 PolarHBondContact N-O 2.83Å; L717-F768 HydrophobicContact CB-CB 4.5Å; L717-F768 HydrophobicContact CB-CD2 4.03Å; L717-F768 HydrophobicContact CB-CG 4.44Å; L717-F768 HydrophobicContact CD1-CB 3.81Å; L717-F768 HydrophobicContact CD1-CD1 4.19Å; L717-F768 HydrophobicContact CD1-CD2 4.1Å; L717-F768 HydrophobicContact CD1-CG 3.76Å; F768-C841 HydrophobicContact CB-CB 4.23Å; F768-C841 HydrophobicContact CD1-CB 4.39Å; F768-R842 CarbonylContact C-O 3.33Å; F768-R842 VanDerWaalsContact CA-O 3.27Å; F768-R842 WeakPolarHBondContact CA-O 3.4Å; F768-R842 WeakPolarHBondContact CB-O 3.4Å; F768-R842 WeakPolarHBondContact CD1-O 3.3Å; F768-D843 HydrophobicContact CD1-CB 4.35Å; F768-D843 HydrophobicContact CE1-CB 3.87Å; F768-D843 HydrophobicContact CZ-CB 4.24Å
769	R	92.3	Very high	79.6	Confident	21 Å²	21	28.7 Å²	28.7	8%	0.079	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.3	178.2	-64.4	-66.6	174.1	-84.4	-8.5	110.3	Y764 T767 S771 C841 R842 A844 I849	Y764-R769 PolarHBondContact OH-NH2 2.92Å; Y764-R769 VanDerWaalsContact OH-NH2 3.14Å; T767-R769 PolarHBondContact O-NH1 3.43Å; T767-R769 PolarHBondContact OG1-NH1 3.38Å; T767-R769 PolarHBondContact OG1-NH2 3.05Å; R769-S771 PolarHBondContact O-N 2.68Å; R769-C841 CarbonylContact O-C 3.44Å; R769-C841 VanDerWaalsContact O-CA 3.25Å; R769-C841 WeakPolarHBondContact O-CA 3.37Å; R769-R842 HydrophobicContact CB-CG 4.48Å; R769-R842 PolarHBondContact N-O 3.36Å; R769-R842 PolarHBondContact O-N 2.83Å; R769-A844 HydrophobicContact CG-CB 4.43Å; R769-I849 HydrophobicContact CG-CG1 4.05Å
770	C	95.6	Very high	80.4	Confident	5 Å²	5	29.4 Å²	29.4	3%	0.034	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	134.2	168.7	-173.4	0	0	0	0	109.3	P452 P772 C823 P840	P452-C770 HydrophobicContact CB-CB 4.49Å; C770-P772 WeakPolarHBondContact O-CD 3.47Å; C770-C823 HydrophobicContact CB-CB 3.68Å; C770-C823 WeakPolarHBondContact CB-SG 3.25Å; C770-C823 WeakPolarHBondContact SG-CB 3.36Å; C770-C823 CovalentContact SG-SG 2.04Å; C770-C823 PolarHBondContact SG-SG 3.36Å; C770-P840 CarbonylContact C-O 3.43Å; C770-P840 WeakPolarHBondContact CA-O 3.14Å
771	S	95.2	Very high	81.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.			trans	-112.4	85.9	176.5	-163.8	0	0	0	0	108.7	R769 E773 H774 P840	R769-S771 PolarHBondContact O-N 2.68Å; S771-E773 WeakPolarHBondContact CA-OE2 3.49Å; S771-E773 PolarHBondContact O-N 2.76Å; S771-E773 VanDerWaalsContact O-N 3.14Å; S771-E773 PolarHBondContact OG-OE2 2.78Å; S771-H774 PolarHBondContact O-N 2.76Å; S771-P840 PolarHBondContact N-O 2.74Å; S771-P840 WeakPolarHBondContact O-CG 3.22Å
772	P	95	Very high	82	Confident	19 Å²	19	34.1 Å²	34.1	12%	0.123	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-61.7	-23.1	-174.2	27.2	-37.9	0	0	0	113.3	Q442 C770 H774 F775	Q442-P772 HydrophobicContact CG-CG 4.46Å; C770-P772 WeakPolarHBondContact O-CD 3.47Å; P772-H774 PolarHBondContact O-N 3Å; P772-F775 VanDerWaalsContact CA-CD2 3.44Å; P772-F775 HydrophobicContact CB-CD2 3.92Å; P772-F775 HydrophobicContact CB-CE2 3.98Å; P772-F775 WeakPolarHBondContact O-CD2 3.31Å; P772-F775 PolarHBondContact O-N 3.22Å
773	E	92.6	Very high	83.3	Confident	35 Å²	35	29 Å²	29	16%	0.164	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-58.1	-30.5	174.7	-51.3	84.4	173.3	0	0	112.1	Q442 V691 S771 P776	Q442-E773 HydrophobicContact CG-CG 4.18Å; Q442-E773 PolarHBondContact OE1-OE1 3.39Å; V691-E773 HydrophobicContact CG1-CB 4.02Å; V691-E773 WeakPolarHBondContact CG2-O 3.09Å; S771-E773 WeakPolarHBondContact CA-OE2 3.49Å; S771-E773 PolarHBondContact O-N 2.76Å; S771-E773 VanDerWaalsContact O-N 3.14Å; S771-E773 PolarHBondContact OG-OE2 2.78Å; E773-P776 WeakPolarHBondContact O-CD 3.45Å
774	H	93.1	Very high	84.6	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-96.5	6.9	-177.2	-78	-65.5	0	0	0	114.3	V691 P694 L699 S771 P772 P776 S777 V778 P840	V691-H774 VanDerWaalsContact CG1-CE1 3.5Å; V691-H774 WeakPolarHBondContact CG1-CE1 2.91Å; P694-H774 PolarHBondContact O-CE1 3.14Å; P694-H774 PolarHBondContact O-NE2 3.37Å; L699-H774 HydrophobicContact CD1-CB 3.7Å; L699-H774 HydrophobicContact CD2-CB 3.99Å; S771-H774 PolarHBondContact O-N 2.76Å; P772-H774 PolarHBondContact O-N 3Å; H774-P776 VanDerWaalsContact C-N 3.32Å; H774-S777 PolarHBondContact ND1-OG 3.47Å; H774-S777 VanDerWaalsContact ND1-OG 3.11Å; H774-S777 WeakPolarHBondContact O-CA 3.16Å; H774-S777 VanDerWaalsContact O-CB 3.23Å; H774-S777 WeakPolarHBondContact O-CB 3.26Å; H774-S777 PolarHBondContact O-N 3.37Å; H774-V778 PolarHBondContact O-N 2.84Å; H774-V778 VanDerWaalsContact O-N 3.14Å; H774-P840 HydrophobicContact CB-CB 3.73Å; H774-P840 HydrophobicContact CB-CG 4.49Å
775	F	94.6	Very high	85.6	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-54.6	-42.9	169.4	-86.9	-60.6	0	0	0	113.1	P772 S777 V778 N779 F821 P840	P772-F775 VanDerWaalsContact CA-CD2 3.44Å; P772-F775 HydrophobicContact CB-CD2 3.92Å; P772-F775 HydrophobicContact CB-CE2 3.98Å; P772-F775 WeakPolarHBondContact O-CD2 3.31Å; P772-F775 PolarHBondContact O-N 3.22Å; F775-S777 PolarHBondContact O-N 3.26Å; F775-V778 HydrophobicContact CD1-CG2 4.12Å; F775-V778 VanDerWaalsContact O-CG2 3.22Å; F775-V778 WeakPolarHBondContact O-CG2 3.05Å; F775-V778 PolarHBondContact O-N 2.84Å; F775-N779 WeakPolarHBondContact O-CB 3.3Å; F775-N779 PolarHBondContact O-N 3.42Å; F775-F821 HydrophobicContact CB-CB 3.91Å; F775-F821 HydrophobicContact CB-CD1 3.39Å; F775-F821 HydrophobicContact CB-CD2 3.7Å; F775-F821 HydrophobicContact CB-CE1 3.67Å; F775-F821 HydrophobicContact CB-CE2 3.98Å; F775-F821 HydrophobicContact CB-CG 3.39Å; F775-F821 HydrophobicContact CB-CZ 3.96Å; F775-F821 AromaticContact CD1-CD1 3.88Å; F775-F821 HydrophobicContact CD1-CD1 3.88Å; F775-F821 HydrophobicContact CD1-CE1 4.41Å; F775-F821 HydrophobicContact CD1-CG 4.43Å; F775-F821 HydrophobicContact CD2-CB 3.58Å; F775-F821 HydrophobicContact CD2-CD1 4.32Å; F775-F821 HydrophobicContact CD2-CG 4.07Å; F775-F821 HydrophobicContact CE2-CB 4.22Å; F775-F821 HydrophobicContact CG-CB 3.8Å; F775-F821 AromaticContact CG-CD1 3.64Å; F775-F821 HydrophobicContact CG-CD1 3.64Å; F775-F821 HydrophobicContact CG-CE1 4.28Å; F775-F821 AromaticContact CG-CG 3.75Å; F775-F821 HydrophobicContact CG-CG 3.75Å; F775-P840 HydrophobicContact CD1-CG 3.86Å; F775-P840 HydrophobicContact CD2-CG 4.46Å; F775-P840 HydrophobicContact CE1-CG 4.03Å; F775-P840 HydrophobicContact CG-CG 4.08Å; F775-P840 HydrophobicContact CZ-CG 4.4Å
776	P	91	Very high	86.5	Confident	4 Å²	4	30.2 Å²	30.2	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-58.2	-29	170.8	-26.3	35.9	0	0	0	113.9	P660 Q667 S668 E773 H774 F821	P660-P776 HydrophobicContact CB-CB 4.2Å; P660-P776 HydrophobicContact CB-CG 3.89Å; P660-P776 HydrophobicContact CG-CB 4.13Å; P660-P776 HydrophobicContact CG-CG 3.99Å; Q667-P776 CarbonylContact C-O 3.57Å; Q667-P776 WeakPolarHBondContact CA-O 3.47Å; S668-P776 PolarHBondContact N-O 3.07Å; E773-P776 WeakPolarHBondContact O-CD 3.45Å; H774-P776 VanDerWaalsContact C-N 3.32Å; P776-F821 HydrophobicContact CG-CE2 3.95Å
777	S	89.2	Confident	87	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-72.1	-38.2	177.4	-53.9	0	0	0	0	112.4	S668 H774 F775 N779 N783	S668-S777 WeakPolarHBondContact O-CA 3.16Å; H774-S777 PolarHBondContact ND1-OG 3.47Å; H774-S777 VanDerWaalsContact ND1-OG 3.11Å; H774-S777 WeakPolarHBondContact O-CA 3.16Å; H774-S777 VanDerWaalsContact O-CB 3.23Å; H774-S777 WeakPolarHBondContact O-CB 3.26Å; H774-S777 PolarHBondContact O-N 3.37Å; F775-S777 PolarHBondContact O-N 3.26Å; S777-N779 VanDerWaalsContact C-N 3.35Å; S777-N783 WeakPolarHBondContact O-CB 3.12Å; S777-N783 PolarHBondContact O-ND2 2.83Å
778	V	90.7	Very high	87.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-83.9	-11.1	174.7	-64.3	0	0	0	0	113.4	I701 H774 F775 H780 P803 F838 P840	I701-V778 HydrophobicContact CB-CG1 4.16Å; I701-V778 HydrophobicContact CD1-CG1 3.55Å; I701-V778 HydrophobicContact CG1-CG1 3.49Å; I701-V778 VanDerWaalsContact CG1-CG1 3.49Å; I701-V778 HydrophobicContact CG2-CG1 3.63Å; H774-V778 PolarHBondContact O-N 2.84Å; H774-V778 VanDerWaalsContact O-N 3.14Å; F775-V778 HydrophobicContact CD1-CG2 4.12Å; F775-V778 VanDerWaalsContact O-CG2 3.22Å; F775-V778 WeakPolarHBondContact O-CG2 3.05Å; F775-V778 PolarHBondContact O-N 2.84Å; V778-H780 PolarHBondContact O-N 3.46Å; V778-P803 HydrophobicContact CG2-CG 3.8Å; V778-F838 HydrophobicContact CB-CB 4.23Å; V778-P840 HydrophobicContact CG1-CB 4.12Å; V778-P840 HydrophobicContact CG2-CB 4.44Å; V778-P840 HydrophobicContact CG2-CG 4.15Å
779	N	92.1	Very high	87	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	11.4	172.3	-155.3	47.8	0	0	0	112.9	I666 Q667 F775 S777 F814 Q815 F821	I666-N779 WeakPolarHBondContact O-CB 3.48Å; I666-N779 PolarHBondContact O-ND2 3.23Å; Q667-N779 VanDerWaalsContact CD-O 3.27Å; Q667-N779 HydrophobicContact CG-CB 4.47Å; Q667-N779 WeakPolarHBondContact CG-O 3.46Å; Q667-N779 PolarHBondContact NE2-O 2.94Å; F775-N779 WeakPolarHBondContact O-CB 3.3Å; F775-N779 PolarHBondContact O-N 3.42Å; S777-N779 VanDerWaalsContact C-N 3.35Å; N779-F814 WeakPolarHBondContact O-CD2 3.41Å; N779-F814 VanDerWaalsContact OD1-CA 3.25Å; N779-F814 WeakPolarHBondContact OD1-CA 3.47Å; N779-F814 WeakPolarHBondContact OD1-CB 3.49Å; N779-F814 WeakPolarHBondContact OD1-CG 3.46Å; N779-Q815 PolarHBondContact ND2-O 3.45Å; N779-Q815 PolarHBondContact OD1-N 3Å; N779-F821 HydrophobicContact CB-CE1 4.3Å; N779-F821 HydrophobicContact CB-CZ 4.03Å
780	H	86.7	Confident	86.6	Confident	23 Å²	23	31.8 Å²	31.8	11%	0.106	17%	0.174	C	C	.	.			trans	-115.8	118.5	-171.2	-170.6	-78.8	0	0	0	111.6	Q667 V778 L782 N783 L784	Q667-H780 HydrophobicContact CB-CB 4.47Å; V778-H780 PolarHBondContact O-N 3.46Å; H780-L782 PolarHBondContact ND1-N 2.81Å; H780-L782 PolarHBondContact O-N 3.42Å; H780-N783 HydrophobicContact CB-CB 4.19Å; H780-N783 WeakPolarHBondContact CB-ND2 3.49Å; H780-N783 PolarHBondContact ND1-N 2.81Å; H780-N783 PolarHBondContact O-N 2.04Å; H780-N783 VanDerWaalsContact O-N 3.09Å; H780-L784 PolarHBondContact O-N 3.2Å; H780-L784 VanDerWaalsContact O-N 3.15Å
781	R	83.2	Confident	86	Confident	117 Å²	117	31.6 Å²	31.6	44%	0.442	17%	0.173	S	C	.	.	H	α-helix	trans	-50.9	-50.7	-176.5	-179.6	-170.2	-176.3	166.5	3.4	113.2	N783 L784 Q785 I794 F814	R781-N783 PolarHBondContact O-N 3.32Å; R781-L784 PolarHBondContact O-N 2.95Å; R781-Q785 HydrophobicContact CG-CG 4.22Å; R781-Q785 VanDerWaalsContact NE-NE2 3.1Å; R781-Q785 WeakPolarHBondContact O-CB 3.25Å; R781-Q785 WeakPolarHBondContact O-CG 3.33Å; R781-Q785 PolarHBondContact O-N 3.25Å; R781-I794 HydrophobicContact CB-CD1 3.89Å; R781-I794 VanDerWaalsContact CD-CD1 3.48Å; R781-I794 HydrophobicContact CG-CD1 3.65Å; R781-F814 HydrophobicContact CB-CE2 4.23Å
782	L	81.6	Confident	85.5	Confident	81 Å²	81	35.4 Å²	35.4	42%	0.424	20%	0.197	S	C	.	.	H	α-helix	trans	-66.6	-29.7	-174.8	-55.7	178.3	0	0	0	112	H780 Y786	H780-L782 PolarHBondContact ND1-N 2.81Å; H780-L782 PolarHBondContact O-N 3.42Å; L782-Y786 VanDerWaalsContact O-CB 3.29Å; L782-Y786 WeakPolarHBondContact O-CB 3.33Å; L782-Y786 PolarHBondContact O-N 3.48Å
783	N	83.6	Confident	85.2	Confident	4 Å²	4	39 Å²	39	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-70.9	-45.6	177.4	-65.8	-11.8	0	0	0	109.4	S668 L670 S777 H780 R781 Y786 L787	S668-N783 PolarHBondContact O-ND2 2.97Å; L670-N783 HydrophobicContact CD1-CB 4.2Å; L670-N783 PolarHBondContact N-ND2 3.48Å; L670-N783 PolarHBondContact N-OD1 2.02Å; S777-N783 WeakPolarHBondContact O-CB 3.12Å; S777-N783 PolarHBondContact O-ND2 2.83Å; H780-N783 HydrophobicContact CB-CB 4.19Å; H780-N783 WeakPolarHBondContact CB-ND2 3.49Å; H780-N783 PolarHBondContact ND1-N 2.81Å; H780-N783 PolarHBondContact O-N 2.04Å; H780-N783 VanDerWaalsContact O-N 3.09Å; R781-N783 PolarHBondContact O-N 3.32Å; N783-Y786 PolarHBondContact O-N 2.61Å; N783-L787 WeakPolarHBondContact O-CD1 3.29Å; N783-L787 VanDerWaalsContact O-CG 3.26Å; N783-L787 WeakPolarHBondContact O-CG 3.38Å; N783-L787 PolarHBondContact O-N 3.04Å; N783-L787 VanDerWaalsContact O-N 3.15Å
784	L	83.7	Confident	85.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-43.2	176.2	-68.5	-169.9	0	0	0	112.3	I701 H780 R781 Y786 L787 G788 V789 F814 F838	I701-L784 HydrophobicContact CG2-CD2 4.35Å; H780-L784 PolarHBondContact O-N 3.2Å; H780-L784 VanDerWaalsContact O-N 3.15Å; R781-L784 PolarHBondContact O-N 2.95Å; L784-Y786 VanDerWaalsContact C-N 3.35Å; L784-Y786 PolarHBondContact O-N 3.41Å; L784-L787 CarbonylContact O-C 3.59Å; L784-L787 PolarHBondContact O-N 3.21Å; L784-L787 VanDerWaalsContact O-N 3.1Å; L784-G788 PolarHBondContact O-N 2.96Å; L784-V789 HydrophobicContact CB-CB 4.09Å; L784-V789 HydrophobicContact CB-CG1 4.46Å; L784-V789 WeakPolarHBondContact O-CB 3.45Å; L784-V789 PolarHBondContact O-N 3.46Å; L784-F814 HydrophobicContact CD1-CE1 3.54Å; L784-F814 HydrophobicContact CD1-CZ 3.77Å; L784-F838 HydrophobicContact CD1-CD1 4.28Å; L784-F838 HydrophobicContact CD1-CD2 4.01Å; L784-F838 HydrophobicContact CD1-CE1 4.17Å; L784-F838 HydrophobicContact CD1-CE2 3.88Å; L784-F838 HydrophobicContact CD1-CG 4.21Å; L784-F838 HydrophobicContact CD1-CZ 3.97Å; L784-F838 HydrophobicContact CD2-CD1 4.11Å; L784-F838 HydrophobicContact CD2-CG 4.33Å
785	Q	80.2	Confident	85.1	Confident	76 Å²	76	43 Å²	43	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-41.3	175.6	-75.2	-178.9	-33.2	0	0	112.2	R781 L787 G788 V789	R781-Q785 HydrophobicContact CG-CG 4.22Å; R781-Q785 VanDerWaalsContact NE-NE2 3.1Å; R781-Q785 WeakPolarHBondContact O-CB 3.25Å; R781-Q785 WeakPolarHBondContact O-CG 3.33Å; R781-Q785 PolarHBondContact O-N 3.25Å; Q785-L787 PolarHBondContact O-N 2.68Å; Q785-G788 PolarHBondContact O-N 3.37Å; Q785-G788 VanDerWaalsContact O-N 3.1Å; Q785-V789 WeakPolarHBondContact CA-O 3.45Å
786	Y	73.5	Confident	84.9	Confident	105 Å²	105	48.7 Å²	48.7	41%	0.412	26%	0.263	S	S	.	.	H	α-helix	trans	-60.5	-31.4	175.1	179.3	-99.1	0	0	0	112.3	I672 L782 N783 L784 G788	I672-Y786 HydrophobicContact CB-CE1 4.49Å; I672-Y786 HydrophobicContact CD1-CD1 3.76Å; I672-Y786 HydrophobicContact CD1-CD2 4.17Å; I672-Y786 HydrophobicContact CD1-CE1 4.34Å; I672-Y786 HydrophobicContact CD1-CG 3.67Å; I672-Y786 HydrophobicContact CG1-CD1 4.07Å; I672-Y786 HydrophobicContact CG1-CE1 4.2Å; I672-Y786 HydrophobicContact CG1-CG 4.4Å; I672-Y786 HydrophobicContact CG2-CD1 3.99Å; I672-Y786 HydrophobicContact CG2-CD2 3.9Å; I672-Y786 HydrophobicContact CG2-CE1 3.46Å; I672-Y786 VanDerWaalsContact CG2-CE1 3.46Å; I672-Y786 HydrophobicContact CG2-CE2 3.37Å; I672-Y786 HydrophobicContact CG2-CG 4.18Å; I672-Y786 WeakPolarHBondContact CG2-OH 3.43Å; L782-Y786 VanDerWaalsContact O-CB 3.29Å; L782-Y786 WeakPolarHBondContact O-CB 3.33Å; L782-Y786 PolarHBondContact O-N 3.48Å; N783-Y786 PolarHBondContact O-N 2.61Å; L784-Y786 VanDerWaalsContact C-N 3.35Å; L784-Y786 PolarHBondContact O-N 3.41Å; Y786-G788 VanDerWaalsContact C-N 3.3Å; Y786-G788 PolarHBondContact O-N 2.88Å
787	L	72.1	Confident	85.1	Confident	25 Å²	25	50.7 Å²	50.7	13%	0.131	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	9.7	178.8	-62.2	165.1	0	0	0	113.5	I701 L725 L726 N783 L784 Q785	I701-L787 HydrophobicContact CB-CD1 3.82Å; I701-L787 HydrophobicContact CD1-CD1 3.34Å; I701-L787 HydrophobicContact CG1-CD1 4.09Å; I701-L787 HydrophobicContact CG2-CD1 4.05Å; L725-L787 HydrophobicContact CB-CB 4.4Å; L726-L787 HydrophobicContact CD2-CD2 4.3Å; N783-L787 WeakPolarHBondContact O-CD1 3.29Å; N783-L787 VanDerWaalsContact O-CG 3.26Å; N783-L787 WeakPolarHBondContact O-CG 3.38Å; N783-L787 PolarHBondContact O-N 3.04Å; N783-L787 VanDerWaalsContact O-N 3.15Å; L784-L787 CarbonylContact O-C 3.59Å; L784-L787 PolarHBondContact O-N 3.21Å; L784-L787 VanDerWaalsContact O-N 3.1Å; Q785-L787 PolarHBondContact O-N 2.68Å
788	G	79.3	Confident	85.3	Confident	67 Å²	67	54.1 Å²	54.1	69%	0.691	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	7.1	175.9	0	0	0	0	0	115.3	L784 Q785 Y786	L784-G788 PolarHBondContact O-N 2.96Å; Q785-G788 PolarHBondContact O-N 3.37Å; Q785-G788 VanDerWaalsContact O-N 3.1Å; Y786-G788 VanDerWaalsContact C-N 3.3Å; Y786-G788 PolarHBondContact O-N 2.88Å
789	V	81.3	Confident	85.4	Confident	17 Å²	17	54.6 Å²	54.6	10%	0.103	30%	0.299	C	S	.	.			trans	-87.7	115.1	174.4	-179.9	0	0	0	0	109.8	L725 L784 Q785 F838	L725-V789 HydrophobicContact CD1-CG2 3.43Å; L725-V789 VanDerWaalsContact CD1-CG2 3.43Å; L725-V789 HydrophobicContact CD2-CG2 3.69Å; L725-V789 HydrophobicContact CG-CG2 4.14Å; L784-V789 HydrophobicContact CB-CB 4.09Å; L784-V789 HydrophobicContact CB-CG1 4.46Å; L784-V789 WeakPolarHBondContact O-CB 3.45Å; L784-V789 PolarHBondContact O-N 3.46Å; Q785-V789 WeakPolarHBondContact CA-O 3.45Å; V789-F838 HydrophobicContact CG1-CE1 3.73Å; V789-F838 HydrophobicContact CG1-CZ 3.88Å; V789-F838 HydrophobicContact CG2-CE1 4.2Å
790	S	84.1	Confident	85.4	Confident	89 Å²	89	56.3 Å²	56.3	62%	0.622	31%	0.311	S	S	*	.			trans	-83.6	115.9	172.3	-170.7	0	0	0	0	110.3	P792	S790-P792 WeakPolarHBondContact O-CD 3.44Å
791	C	84.4	Confident	85.6	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.007	31%	0.31	C	S	.	.			trans	-103.7	86.8	171.2	-63.1	0	0	0	0	109.3	I794 C812	C791-I794 HydrophobicContact CB-CD1 4.28Å; C791-I794 HydrophobicContact CB-CG1 3.96Å; C791-C812 WeakPolarHBondContact CA-SG 3.25Å; C791-C812 HydrophobicContact CB-CB 3.62Å; C791-C812 WeakPolarHBondContact CB-SG 3.06Å; C791-C812 WeakPolarHBondContact SG-CB 3.08Å; C791-C812 CovalentContact SG-SG 2.03Å; C791-C812 PolarHBondContact SG-SG 3.43Å
792	P	84.1	Confident	86.1	Confident	80 Å²	80	50.5 Å²	50.5	52%	0.519	29%	0.289	S	S	.	.	S	Bend	trans	-67.5	-41.6	178.7	27	-33.1	0	0	0	110.9	S790 R810	S790-P792 WeakPolarHBondContact O-CD 3.44Å; P792-R810 WeakPolarHBondContact CG-O 3.07Å
793	N	88.7	Confident	86.7	Confident	94 Å²	94	46.7 Å²	46.7	50%	0.503	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.9	173.5	-65.9	-26.8	0	0	0	109.5	S811 C812	N793-S811 WeakPolarHBondContact CB-OG 3.42Å; N793-S811 PolarHBondContact O-OG 3.01Å; N793-C812 PolarHBondContact O-N 3.06Å
794	I	89.6	Confident	87.2	Confident	52 Å²	52	47.2 Å²	47.2	27%	0.267	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.2	175.6	-60.2	173	0	0	0	108	R781 C791 Y796 C812 F814	R781-I794 HydrophobicContact CB-CD1 3.89Å; R781-I794 VanDerWaalsContact CD-CD1 3.48Å; R781-I794 HydrophobicContact CG-CD1 3.65Å; C791-I794 HydrophobicContact CB-CD1 4.28Å; C791-I794 HydrophobicContact CB-CG1 3.96Å; I794-Y796 HydrophobicContact CG2-CE2 4.01Å; I794-C812 VanDerWaalsContact CA-O 3.32Å; I794-C812 WeakPolarHBondContact CA-O 3.34Å; I794-C812 HydrophobicContact CG1-CB 4.49Å; I794-F814 HydrophobicContact CD1-CE2 4.23Å; I794-F814 HydrophobicContact CG2-CD2 3.57Å; I794-F814 HydrophobicContact CG2-CE2 3.84Å; I794-F814 HydrophobicContact CG2-CG 4.27Å
795	T	92.9	Very high	87.6	Confident	69 Å²	69	49.3 Å²	49.3	42%	0.423	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	159	173.2	53.3	0	0	0	0	109.3	C812 V813 F814	T795-C812 PolarHBondContact N-O 3.02Å; T795-V813 CarbonylContact O-C 3.44Å; T795-V813 WeakPolarHBondContact O-CA 3.48Å; T795-V813 WeakPolarHBondContact OG1-CG2 3.19Å; T795-F814 PolarHBondContact O-N 3.06Å
796	Y	92.1	Very high	88	Confident	119 Å²	119	46.9 Å²	46.9	47%	0.467	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.9	176.4	-68.3	-94.6	0	0	0	109.7	I666 Q667 I794 F814	I666-Y796 HydrophobicContact CD1-CD1 4.32Å; I666-Y796 HydrophobicContact CD1-CE1 4.05Å; Q667-Y796 PolarHBondContact NE2-OH 3.32Å; I794-Y796 HydrophobicContact CG2-CE2 4.01Å; Y796-F814 CarbonylContact C-O 3.56Å; Y796-F814 VanDerWaalsContact CA-O 3.29Å; Y796-F814 WeakPolarHBondContact CA-O 3.4Å; Y796-F814 HydrophobicContact CD1-CB 3.64Å; Y796-F814 HydrophobicContact CE1-CB 3.61Å; Y796-F814 HydrophobicContact CE1-CD2 4.07Å; Y796-F814 HydrophobicContact CE1-CG 4.37Å; Y796-F814 HydrophobicContact CG-CB 4.38Å
797	T	93.4	Very high	88.6	Confident	46 Å²	46	44.3 Å²	44.3	28%	0.282	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	158.3	176.8	-167.6	0	0	0	0	110.7	A802 Y804 V813 F814 Q815 A816	T797-A802 HydrophobicContact CG2-CB 3.84Å; T797-Y804 HydrophobicContact CG2-CE1 4.32Å; T797-V813 HydrophobicContact CG2-CG1 3.47Å; T797-V813 VanDerWaalsContact CG2-CG1 3.47Å; T797-F814 PolarHBondContact N-O 2.91Å; T797-Q815 PolarHBondContact O-OE1 2.85Å; T797-Q815 VanDerWaalsContact O-OE1 3.09Å; T797-A816 WeakPolarHBondContact O-CB 3.37Å; T797-A816 PolarHBondContact O-N 3.2Å
798	T	93.2	Very high	89.2	Confident	71 Å²	71	47.5 Å²	47.5	44%	0.436	29%	0.291	S	S	.	.			trans	-103.8	84.4	172.6	-53.8	0	0	0	0	108.3	W820	T798-W820 HydrophobicContact CG2-CD2 3.55Å; T798-W820 HydrophobicContact CG2-CE3 4.33Å; T798-W820 HydrophobicContact CG2-CG 3.65Å; T798-W820 HydrophobicContact CG2-CZ2 3.86Å; T798-W820 VanDerWaalsContact CG2-NE1 3.26Å
799	S	92.7	Very high	89.5	Confident	10 Å²	10	46.8 Å²	46.8	7%	0.07	28%	0.279	C	S	.	.			trans	-141	142.7	-174.3	173.1	0	0	0	0	110.7	M801 A802 Q815	S799-M801 PolarHBondContact O-N 2.81Å; S799-M801 PolarHBondContact OG-N 2.88Å; S799-A802 PolarHBondContact O-N 3.39Å; S799-Q815 PolarHBondContact O-NE2 2.89Å
800	P	92.5	Very high	89.8	Confident	37 Å²	37	54.7 Å²	54.7	24%	0.24	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.9	176.8	31.3	-35.8	0	0	0	112.5	W820 D822 A825 R837	P800-W820 WeakPolarHBondContact CA-O 3.22Å; P800-D822 HydrophobicContact CB-CB 4.19Å; P800-A825 HydrophobicContact CB-CB 3.78Å; P800-A825 HydrophobicContact CG-CB 4.4Å; P800-R837 PolarHBondContact O-NH2 2.78Å
801	M	91.5	Very high	90.1	Very high	18 Å²	18	50.7 Å²	50.7	9%	0.089	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-27.3	176	-64.7	-64.1	87.3	0	0	112.9	S799 Y804 A825 L829 R837	S799-M801 PolarHBondContact O-N 2.81Å; S799-M801 PolarHBondContact OG-N 2.88Å; M801-Y804 HydrophobicContact CB-CD1 3.95Å; M801-Y804 HydrophobicContact CB-CE1 4.18Å; M801-A825 HydrophobicContact CE-CB 2.99Å; M801-A825 WeakPolarHBondContact CE-O 3.44Å; M801-L829 HydrophobicContact CB-CD1 3.86Å; M801-L829 HydrophobicContact CG-CD1 3.62Å; M801-R837 PolarHBondContact O-NE 3.29Å
802	A	93	Very high	90.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.278	C	S	.	.			trans	-70.9	140.5	-175.3	0	0	0	0	0	111.3	T797 S799 Y804 Q815	T797-A802 HydrophobicContact CG2-CB 3.84Å; S799-A802 PolarHBondContact O-N 3.39Å; A802-Y804 HydrophobicContact CB-CD1 4.23Å; A802-Y804 HydrophobicContact CB-CE1 4.27Å; A802-Q815 HydrophobicContact CB-CB 4.03Å
803	P	94.9	Very high	91	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	S	Bend	cis	-88.2	143	7.7	32.4	-28.6	0	0	0	113.6	V778 V813 F814 F838	V778-P803 HydrophobicContact CG2-CG 3.8Å; P803-V813 CarbonylContact C-O 3.57Å; P803-V813 VanDerWaalsContact CA-O 3.25Å; P803-V813 WeakPolarHBondContact CA-O 3.13Å; P803-F814 HydrophobicContact CB-CD1 4.01Å; P803-F838 HydrophobicContact CB-CD2 4.11Å; P803-F838 HydrophobicContact CG-CB 4.24Å; P803-F838 PolarHBondContact O-N 3.48Å
804	Y	93.7	Very high	91.3	Very high	16 Å²	16	42.6 Å²	42.6	6%	0.063	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	160.6	179.2	62.3	-96.1	0	0	0	112.7	T797 M801 A802 D806 V813 L829 F835 S836 F838	T797-Y804 HydrophobicContact CG2-CE1 4.32Å; M801-Y804 HydrophobicContact CB-CD1 3.95Å; M801-Y804 HydrophobicContact CB-CE1 4.18Å; A802-Y804 HydrophobicContact CB-CD1 4.23Å; A802-Y804 HydrophobicContact CB-CE1 4.27Å; Y804-D806 HydrophobicContact CD2-CB 4.39Å; Y804-D806 HydrophobicContact CE2-CB 4.08Å; Y804-V813 HydrophobicContact CD1-CB 4.31Å; Y804-V813 HydrophobicContact CD2-CB 3.98Å; Y804-V813 HydrophobicContact CD2-CG2 4.01Å; Y804-V813 HydrophobicContact CE1-CB 3.91Å; Y804-V813 HydrophobicContact CE1-CG1 3.91Å; Y804-V813 HydrophobicContact CE2-CB 3.57Å; Y804-V813 HydrophobicContact CE2-CG1 4.2Å; Y804-V813 HydrophobicContact CE2-CG2 3.39Å; Y804-V813 HydrophobicContact CG-CB 4.33Å; Y804-V813 PolarHBondContact N-O 3.19Å; Y804-V813 PolarHBondContact O-N 3.36Å; Y804-L829 HydrophobicContact CE1-CD1 4.23Å; Y804-F835 HydrophobicContact CD2-CB 3.76Å; Y804-F835 AromaticContact CD2-CD1 3.8Å; Y804-F835 HydrophobicContact CD2-CD1 3.8Å; Y804-F835 HydrophobicContact CD2-CG 4.1Å; Y804-F835 HydrophobicContact CE2-CB 4.24Å; Y804-F835 AromaticContact CE2-CD1 3.45Å; Y804-F835 HydrophobicContact CE2-CD1 3.45Å; Y804-F835 VanDerWaalsContact CE2-CD1 3.45Å; Y804-F835 HydrophobicContact CE2-CE1 4.13Å; Y804-F835 HydrophobicContact CE2-CG 4.05Å; Y804-F835 HydrophobicContact CG-CB 4.27Å; Y804-S836 CarbonylContact C-O 3.55Å; Y804-S836 WeakPolarHBondContact CA-O 3.34Å; Y804-S836 WeakPolarHBondContact CB-O 3.31Å; Y804-F838 WeakPolarHBondContact O-CE2 3.31Å
805	W	92.3	Very high	91.5	Very high	43 Å²	43	40.1 Å²	40.1	16%	0.163	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.4	165.9	174	-102.3	0	0	0	109.7	L703 D807 R810 F835 S836 F838	L703-W805 HydrophobicContact CD1-CB 4.09Å; W805-D807 PolarHBondContact NE1-OD1 3.3Å; W805-R810 HydrophobicContact CH2-CB 4.15Å; W805-R810 WeakPolarHBondContact CH2-O 3.38Å; W805-R810 HydrophobicContact CZ2-CB 4.16Å; W805-R810 HydrophobicContact CZ2-CG 4.45Å; W805-F835 VanDerWaalsContact O-CA 3.29Å; W805-F835 WeakPolarHBondContact O-CA 3.2Å; W805-S836 PolarHBondContact N-O 2.96Å; W805-S836 PolarHBondContact O-N 3.22Å; W805-F838 HydrophobicContact CB-CE1 4.42Å; W805-F838 HydrophobicContact CB-CE2 4.27Å; W805-F838 HydrophobicContact CB-CZ 3.82Å
806	D	89.7	Confident	91.5	Very high	26 Å²	26	38.9 Å²	38.9	14%	0.139	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110.2	172.8	-174	-28	0	0	0	109.5	Y804 A808 A809 R810 S811 V813 F835	Y804-D806 HydrophobicContact CD2-CB 4.39Å; Y804-D806 HydrophobicContact CE2-CB 4.08Å; D806-A808 VanDerWaalsContact C-N 3.33Å; D806-A808 PolarHBondContact O-N 3.32Å; D806-A808 WeakPolarHBondContact OD1-CB 3.38Å; D806-A808 PolarHBondContact OD1-N 2.04Å; D806-A809 HydrophobicContact CB-CB 4.11Å; D806-A809 PolarHBondContact OD1-N 3.39Å; D806-R810 VanDerWaalsContact O-CA 3.23Å; D806-R810 WeakPolarHBondContact O-CA 3.25Å; D806-R810 PolarHBondContact O-N 3.25Å; D806-S811 PolarHBondContact N-O 3.19Å; D806-S811 PolarHBondContact O-N 3.26Å; D806-V813 HydrophobicContact CB-CG2 3.99Å; D806-F835 HydrophobicContact CB-CD1 4.09Å; D806-F835 HydrophobicContact CB-CE1 4.39Å
807	D	84.5	Confident	91.4	Very high	51 Å²	51	35 Å²	35	27%	0.273	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-36.3	-179.6	-75.2	-40.9	0	0	0	112.2	R706 W805 G834	R706-D807 IonicContact CZ-OD2 3.32Å; R706-D807 IonicContact NE-OD2 2.91Å; R706-D807 PolarHBondContact NE-OD2 3.45Å; R706-D807 IonicContact NH2-OD2 3.04Å; R706-D807 PolarHBondContact NH2-OD2 3.02Å; W805-D807 PolarHBondContact NE1-OD1 3.3Å; D807-G834 WeakPolarHBondContact CB-O 2.99Å; D807-G834 PolarHBondContact N-O 3.1Å
808	A	85.1	Confident	91.1	Very high	91 Å²	91	34.1 Å²	34.1	75%	0.752	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-44	-176.3	0	0	0	0	0	111.2	D806 R810	D806-A808 VanDerWaalsContact C-N 3.33Å; D806-A808 PolarHBondContact O-N 3.32Å; D806-A808 WeakPolarHBondContact OD1-CB 3.38Å; D806-A808 PolarHBondContact OD1-N 2.04Å; A808-R810 VanDerWaalsContact C-N 3.33Å
809	A	86	Confident	91	Very high	53 Å²	53	33.6 Å²	33.6	44%	0.438	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-9.4	177.5	0	0	0	0	0	113.6	D806 S811	D806-A809 HydrophobicContact CB-CB 4.11Å; D806-A809 PolarHBondContact OD1-N 3.39Å; A809-S811 PolarHBondContact O-N 3.01Å
810	R	87.6	Confident	91	Very high	182 Å²	182	36.9 Å²	36.9	69%	0.687	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.2	46.4	-168.9	-66.8	-174.1	165.2	-173.3	-3.3	111.7	P792 W805 D806 A808	P792-R810 WeakPolarHBondContact CG-O 3.07Å; W805-R810 HydrophobicContact CH2-CB 4.15Å; W805-R810 WeakPolarHBondContact CH2-O 3.38Å; W805-R810 HydrophobicContact CZ2-CB 4.16Å; W805-R810 HydrophobicContact CZ2-CG 4.45Å; D806-R810 VanDerWaalsContact O-CA 3.23Å; D806-R810 WeakPolarHBondContact O-CA 3.25Å; D806-R810 PolarHBondContact O-N 3.25Å; A808-R810 VanDerWaalsContact C-N 3.33Å
811	S	90.7	Very high	91.2	Very high	5 Å²	5	35.7 Å²	35.7	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142.7	-170.4	-171	0	0	0	0	111.1	N793 D806 A809	N793-S811 WeakPolarHBondContact CB-OG 3.42Å; N793-S811 PolarHBondContact O-OG 3.01Å; D806-S811 PolarHBondContact N-O 3.19Å; D806-S811 PolarHBondContact O-N 3.26Å; A809-S811 PolarHBondContact O-N 3.01Å
812	C	92.7	Very high	91.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	117.2	166	-68	0	0	0	0	108.6	C791 N793 I794 T795 F814 F838	C791-C812 WeakPolarHBondContact CA-SG 3.25Å; C791-C812 HydrophobicContact CB-CB 3.62Å; C791-C812 WeakPolarHBondContact CB-SG 3.06Å; C791-C812 WeakPolarHBondContact SG-CB 3.08Å; C791-C812 CovalentContact SG-SG 2.03Å; C791-C812 PolarHBondContact SG-SG 3.43Å; N793-C812 PolarHBondContact O-N 3.06Å; I794-C812 VanDerWaalsContact CA-O 3.32Å; I794-C812 WeakPolarHBondContact CA-O 3.34Å; I794-C812 HydrophobicContact CG1-CB 4.49Å; T795-C812 PolarHBondContact N-O 3.02Å; C812-F814 HydrophobicContact CB-CE1 4.04Å; C812-F814 HydrophobicContact CB-CZ 4.34Å; C812-F838 HydrophobicContact CB-CE2 4.38Å
813	V	94.2	Very high	91.5	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.03	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	112.3	177.8	-169.2	0	0	0	0	109	T795 T797 P803 Y804 D806	T795-V813 CarbonylContact O-C 3.44Å; T795-V813 WeakPolarHBondContact O-CA 3.48Å; T795-V813 WeakPolarHBondContact OG1-CG2 3.19Å; T797-V813 HydrophobicContact CG2-CG1 3.47Å; T797-V813 VanDerWaalsContact CG2-CG1 3.47Å; P803-V813 CarbonylContact C-O 3.57Å; P803-V813 VanDerWaalsContact CA-O 3.25Å; P803-V813 WeakPolarHBondContact CA-O 3.13Å; Y804-V813 HydrophobicContact CD1-CB 4.31Å; Y804-V813 HydrophobicContact CD2-CB 3.98Å; Y804-V813 HydrophobicContact CD2-CG2 4.01Å; Y804-V813 HydrophobicContact CE1-CB 3.91Å; Y804-V813 HydrophobicContact CE1-CG1 3.91Å; Y804-V813 HydrophobicContact CE2-CB 3.57Å; Y804-V813 HydrophobicContact CE2-CG1 4.2Å; Y804-V813 HydrophobicContact CE2-CG2 3.39Å; Y804-V813 HydrophobicContact CG-CB 4.33Å; Y804-V813 PolarHBondContact N-O 3.19Å; Y804-V813 PolarHBondContact O-N 3.36Å; D806-V813 HydrophobicContact CB-CG2 3.99Å
814	F	94.5	Very high	91.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	156.1	-178.6	-73.4	-13.5	0	0	0	112.7	N779 R781 L784 I794 T795 Y796 T797 P803 C812	N779-F814 WeakPolarHBondContact O-CD2 3.41Å; N779-F814 VanDerWaalsContact OD1-CA 3.25Å; N779-F814 WeakPolarHBondContact OD1-CA 3.47Å; N779-F814 WeakPolarHBondContact OD1-CB 3.49Å; N779-F814 WeakPolarHBondContact OD1-CG 3.46Å; R781-F814 HydrophobicContact CB-CE2 4.23Å; L784-F814 HydrophobicContact CD1-CE1 3.54Å; L784-F814 HydrophobicContact CD1-CZ 3.77Å; I794-F814 HydrophobicContact CD1-CE2 4.23Å; I794-F814 HydrophobicContact CG2-CD2 3.57Å; I794-F814 HydrophobicContact CG2-CE2 3.84Å; I794-F814 HydrophobicContact CG2-CG 4.27Å; T795-F814 PolarHBondContact O-N 3.06Å; Y796-F814 CarbonylContact C-O 3.56Å; Y796-F814 VanDerWaalsContact CA-O 3.29Å; Y796-F814 WeakPolarHBondContact CA-O 3.4Å; Y796-F814 HydrophobicContact CD1-CB 3.64Å; Y796-F814 HydrophobicContact CE1-CB 3.61Å; Y796-F814 HydrophobicContact CE1-CD2 4.07Å; Y796-F814 HydrophobicContact CE1-CG 4.37Å; Y796-F814 HydrophobicContact CG-CB 4.38Å; T797-F814 PolarHBondContact N-O 2.91Å; P803-F814 HydrophobicContact CB-CD1 4.01Å; C812-F814 HydrophobicContact CB-CE1 4.04Å; C812-F814 HydrophobicContact CB-CZ 4.34Å
815	Q	94.7	Very high	91.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	130.9	175.9	179.1	58.1	-103.4	0	0	110.4	N779 T797 S799 A802 S817 W820 F821	N779-Q815 PolarHBondContact ND2-O 3.45Å; N779-Q815 PolarHBondContact OD1-N 3Å; T797-Q815 PolarHBondContact O-OE1 2.85Å; T797-Q815 VanDerWaalsContact O-OE1 3.09Å; S799-Q815 PolarHBondContact O-NE2 2.89Å; A802-Q815 HydrophobicContact CB-CB 4.03Å; Q815-S817 WeakPolarHBondContact CG-O 2.96Å; Q815-S817 PolarHBondContact OE1-O 3.25Å; Q815-W820 VanDerWaalsContact CD-CB 3.49Å; Q815-W820 VanDerWaalsContact NE2-CB 3.26Å; Q815-W820 PolarHBondContact NE2-O 3.3Å; Q815-F821 HydrophobicContact CB-CD1 3.97Å; Q815-F821 HydrophobicContact CB-CE1 3.28Å; Q815-F821 HydrophobicContact CB-CZ 3.75Å; Q815-F821 HydrophobicContact CG-CD1 3.81Å; Q815-F821 HydrophobicContact CG-CE1 3.5Å; Q815-F821 VanDerWaalsContact CG-CE1 3.5Å; Q815-F821 HydrophobicContact CG-CE2 4.36Å; Q815-F821 HydrophobicContact CG-CG 4.39Å; Q815-F821 HydrophobicContact CG-CZ 3.8Å
816	A	92	Very high	91.2	Very high	44 Å²	44	38.7 Å²	38.7	36%	0.364	22%	0.224	S	C	.	.	S	Bend	trans	-90.5	-16.6	175.7	0	0	0	0	0	113.5	T797	T797-A816 WeakPolarHBondContact O-CB 3.37Å; T797-A816 PolarHBondContact O-N 3.2Å
817	S	90.4	Very high	90.6	Very high	36 Å²	36	39.2 Å²	39.2	25%	0.252	24%	0.236	S	C	.	.			trans	-136.5	128	-178.4	179.6	0	0	0	0	112.7	Q815 E819 W820	Q815-S817 WeakPolarHBondContact CG-O 2.96Å; Q815-S817 PolarHBondContact OE1-O 3.25Å; S817-E819 PolarHBondContact O-N 3.14Å; S817-W820 PolarHBondContact O-N 3.3Å; S817-W820 VanDerWaalsContact O-N 3.08Å
818	N	87.6	Confident	89.5	Confident	28 Å²	28	39.5 Å²	39.5	15%	0.15	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-61.4	-33	179.8	-159.3	-54.8	0	0	0	112	F661 L665 W820 F821	F661-N818 HydrophobicContact CD2-CB 4.24Å; F661-N818 WeakPolarHBondContact CD2-OD1 3.14Å; F661-N818 PolarHBondContact N-ND2 3.13Å; L665-N818 PolarHBondContact O-ND2 3.1Å; N818-W820 PolarHBondContact O-N 3.01Å; N818-F821 HydrophobicContact CB-CD2 4.5Å; N818-F821 HydrophobicContact CB-CE2 4.42Å; N818-F821 WeakPolarHBondContact O-CD2 3.1Å; N818-F821 PolarHBondContact O-N 3.49Å
819	E	90.3	Very high	88.2	Confident	61 Å²	61	38.3 Å²	38.3	29%	0.285	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-63.3	-11.9	176.8	-70.2	-170.1	-167.7	0	0	114.3	R429 H438 F661 S817	R429-E819 HydrophobicContact CG-CB 4.44Å; R429-E819 PolarHBondContact NH1-O 2.66Å; H438-E819 IonicContact CE1-OE2 3.23Å; H438-E819 IonicContact ND1-OE1 2.86Å; H438-E819 IonicContact ND1-OE2 3.8Å; H438-E819 PolarHBondContact ND1-OE2 3.47Å; F661-E819 HydrophobicContact CE2-CG 3.73Å; F661-E819 HydrophobicContact CZ-CG 3.99Å; S817-E819 PolarHBondContact O-N 3.14Å
820	W	94.3	Very high	86.7	Confident	79 Å²	79	40 Å²	40	30%	0.299	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-103.7	-0.2	-175.8	-73.8	74.4	0	0	0	114.5	T798 P800 Q815 S817 N818 D822	T798-W820 HydrophobicContact CG2-CD2 3.55Å; T798-W820 HydrophobicContact CG2-CE3 4.33Å; T798-W820 HydrophobicContact CG2-CG 3.65Å; T798-W820 HydrophobicContact CG2-CZ2 3.86Å; T798-W820 VanDerWaalsContact CG2-NE1 3.26Å; P800-W820 WeakPolarHBondContact CA-O 3.22Å; Q815-W820 VanDerWaalsContact CD-CB 3.49Å; Q815-W820 VanDerWaalsContact NE2-CB 3.26Å; Q815-W820 PolarHBondContact NE2-O 3.3Å; S817-W820 PolarHBondContact O-N 3.3Å; S817-W820 VanDerWaalsContact O-N 3.08Å; N818-W820 PolarHBondContact O-N 3.01Å; W820-D822 PolarHBondContact O-N 3.01Å
821	F	95.5	Very high	85	Confident	12 Å²	12	34.5 Å²	34.5	5%	0.053	24%	0.244	C	C	.	.			trans	-64.2	135.2	167.8	-68.6	-50.8	0	0	0	110.9	F775 P776 N779 Q815 N818	F775-F821 HydrophobicContact CB-CB 3.91Å; F775-F821 HydrophobicContact CB-CD1 3.39Å; F775-F821 HydrophobicContact CB-CD2 3.7Å; F775-F821 HydrophobicContact CB-CE1 3.67Å; F775-F821 HydrophobicContact CB-CE2 3.98Å; F775-F821 HydrophobicContact CB-CG 3.39Å; F775-F821 HydrophobicContact CB-CZ 3.96Å; F775-F821 AromaticContact CD1-CD1 3.88Å; F775-F821 HydrophobicContact CD1-CD1 3.88Å; F775-F821 HydrophobicContact CD1-CE1 4.41Å; F775-F821 HydrophobicContact CD1-CG 4.43Å; F775-F821 HydrophobicContact CD2-CB 3.58Å; F775-F821 HydrophobicContact CD2-CD1 4.32Å; F775-F821 HydrophobicContact CD2-CG 4.07Å; F775-F821 HydrophobicContact CE2-CB 4.22Å; F775-F821 HydrophobicContact CG-CB 3.8Å; F775-F821 AromaticContact CG-CD1 3.64Å; F775-F821 HydrophobicContact CG-CD1 3.64Å; F775-F821 HydrophobicContact CG-CE1 4.28Å; F775-F821 AromaticContact CG-CG 3.75Å; F775-F821 HydrophobicContact CG-CG 3.75Å; P776-F821 HydrophobicContact CG-CE2 3.95Å; N779-F821 HydrophobicContact CB-CE1 4.3Å; N779-F821 HydrophobicContact CB-CZ 4.03Å; Q815-F821 HydrophobicContact CB-CD1 3.97Å; Q815-F821 HydrophobicContact CB-CE1 3.28Å; Q815-F821 HydrophobicContact CB-CZ 3.75Å; Q815-F821 HydrophobicContact CG-CD1 3.81Å; Q815-F821 HydrophobicContact CG-CE1 3.5Å; Q815-F821 VanDerWaalsContact CG-CE1 3.5Å; Q815-F821 HydrophobicContact CG-CE2 4.36Å; Q815-F821 HydrophobicContact CG-CG 4.39Å; Q815-F821 HydrophobicContact CG-CZ 3.8Å; N818-F821 HydrophobicContact CB-CD2 4.5Å; N818-F821 HydrophobicContact CB-CE2 4.42Å; N818-F821 WeakPolarHBondContact O-CD2 3.1Å; N818-F821 PolarHBondContact O-N 3.49Å
822	D	95.4	Very high	83.2	Confident	8 Å²	8	36.7 Å²	36.7	4%	0.043	26%	0.26	C	S	.	.			trans	-154.2	115.5	-171	-169.8	-35.6	0	0	0	110.9	A425 P800 W820 T824 A825 R837	A425-D822 HydrophobicContact CB-CB 3.93Å; A425-D822 WeakPolarHBondContact CB-OD2 3.14Å; P800-D822 HydrophobicContact CB-CB 4.19Å; W820-D822 PolarHBondContact O-N 3.01Å; D822-T824 WeakPolarHBondContact OD1-CA 3.47Å; D822-T824 PolarHBondContact OD1-N 3.45Å; D822-T824 PolarHBondContact OD1-OG1 3.11Å; D822-A825 HydrophobicContact CB-CB 3.93Å; D822-A825 PolarHBondContact OD1-N 3.16Å; D822-R837 VanDerWaalsContact O-CZ 3.3Å; D822-R837 PolarHBondContact O-NH1 3.37Å; D822-R837 PolarHBondContact O-NH2 2.78Å
823	C	96.2	Very high	81.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-69.3	-32.6	176.9	-76.5	0	0	0	0	112.9	P452 D453 S709 C710 A711 C770	P452-C823 HydrophobicContact CB-CB 4.11Å; P452-C823 HydrophobicContact CG-CB 3.9Å; D453-C823 WeakPolarHBondContact OD1-CB 3.17Å; D453-C823 PolarHBondContact OD1-N 2.91Å; D453-C823 PolarHBondContact OD1-SG 3.07Å; D453-C823 VanDerWaalsContact OD1-SG 3.37Å; D453-C823 WeakPolarHBondContact OD2-CB 3.06Å; D453-C823 PolarHBondContact OD2-N 3.29Å; D453-C823 VanDerWaalsContact OD2-N 3.1Å; S709-C823 WeakPolarHBondContact CB-O 3.36Å; C710-C823 PolarHBondContact N-O 2.88Å; C710-C823 VanDerWaalsContact N-O 3.09Å; A711-C823 PolarHBondContact N-O 3.01Å; C770-C823 HydrophobicContact CB-CB 3.68Å; C770-C823 WeakPolarHBondContact CB-SG 3.25Å; C770-C823 WeakPolarHBondContact SG-CB 3.36Å; C770-C823 CovalentContact SG-SG 2.04Å; C770-C823 PolarHBondContact SG-SG 3.36Å
824	T	93.9	Very high	80.4	Confident	42 Å²	42	42.4 Å²	42.4	26%	0.258	29%	0.294	S	S	.	.	S	Bend	trans	-88.6	-20.8	-169.2	64.6	0	0	0	0	114.1	P452 S709 D822 S826	P452-T824 HydrophobicContact CG-CG2 3.65Å; S709-T824 WeakPolarHBondContact CB-O 3.41Å; D822-T824 WeakPolarHBondContact OD1-CA 3.47Å; D822-T824 PolarHBondContact OD1-N 3.45Å; D822-T824 PolarHBondContact OD1-OG1 3.11Å; T824-S826 PolarHBondContact O-N 3.39Å
825	A	92.3	Very high	79.9	Confident	14 Å²	14	43.7 Å²	43.7	12%	0.116	30%	0.3	C	S	.	.			trans	-64.9	129.6	-173.7	0	0	0	0	0	111.4	S709 P800 M801 D822 R837	S709-A825 WeakPolarHBondContact CA-O 3.44Å; S709-A825 WeakPolarHBondContact CB-O 3.5Å; P800-A825 HydrophobicContact CB-CB 3.78Å; P800-A825 HydrophobicContact CG-CB 4.4Å; M801-A825 HydrophobicContact CE-CB 2.99Å; M801-A825 WeakPolarHBondContact CE-O 3.44Å; D822-A825 HydrophobicContact CB-CB 3.93Å; D822-A825 PolarHBondContact OD1-N 3.16Å; A825-R837 PolarHBondContact O-NH1 3.46Å
826	S	87.8	Confident	79.7	Confident	76 Å²	76	44.3 Å²	44.3	53%	0.531	30%	0.304	S	S	.	.			trans	-133.7	169.5	178.5	57.4	0	0	0	0	110.6	G707 T824	G707-S826 WeakPolarHBondContact O-CB 3.23Å; T824-S826 PolarHBondContact O-N 3.39Å
827	G	76.3	Confident	79.8	Confident	37 Å²	37	42.6 Å²	42.6	38%	0.381	29%	0.288	S	S	.	.	S	Bend	trans	121.7	-178	173.1	0	0	0	0	0	114.8	G707	G707-G827 PolarHBondContact O-N 3.03Å; G707-G827 VanDerWaalsContact O-N 3.07Å
828	S	61	Low	79.9	Confident	57 Å²	57	40.9 Å²	40.9	40%	0.399	28%	0.276	S	S	.	.			trans	-99.9	131.1	175.3	49.1	0	0	0	0	110.2	G830 S832	S828-G830 PolarHBondContact O-N 3.48Å; S828-S832 WeakPolarHBondContact CB-O 3.49Å
829	L	58	Low	80.3	Confident	66 Å²	66	39.6 Å²	39.6	35%	0.346	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-75.6	114.5	165.4	-88	117.7	0	0	0	108.2	M801 Y804 G831 F835	M801-L829 HydrophobicContact CB-CD1 3.86Å; M801-L829 HydrophobicContact CG-CD1 3.62Å; Y804-L829 HydrophobicContact CE1-CD1 4.23Å; L829-G831 VanDerWaalsContact C-N 3.3Å; L829-G831 PolarHBondContact O-N 3.4Å; L829-F835 HydrophobicContact CB-CD2 4.16Å; L829-F835 HydrophobicContact CB-CE2 3.49Å; L829-F835 VanDerWaalsContact CB-CE2 3.49Å; L829-F835 HydrophobicContact CB-CZ 3.83Å; L829-F835 HydrophobicContact CD1-CD2 4.3Å; L829-F835 HydrophobicContact CD1-CE2 4.4Å
830	G	55.2	Low	80.5	Confident	89 Å²	89	36.7 Å²	36.7	92%	0.918	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	24.8	174.8	0	0	0	0	0	114.9	S828 S832	S828-G830 PolarHBondContact O-N 3.48Å; G830-S832 VanDerWaalsContact C-N 3.32Å; G830-S832 PolarHBondContact O-N 3.2Å
831	G	52.5	Low	80.5	Confident	65 Å²	65	32.9 Å²	32.9	67%	0.67	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	4.4	177.5	0	0	0	0	0	115.4	L829	L829-G831 VanDerWaalsContact C-N 3.3Å; L829-G831 PolarHBondContact O-N 3.4Å
832	S	53.3	Low	80.3	Confident	52 Å²	52	33.4 Å²	33.4	36%	0.364	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-98.4	128.3	169.1	93	0	0	0	0	110.4	S828 G830 G834 F835	S828-S832 WeakPolarHBondContact CB-O 3.49Å; G830-S832 VanDerWaalsContact C-N 3.32Å; G830-S832 PolarHBondContact O-N 3.2Å; S832-G834 PolarHBondContact O-N 2.85Å; S832-F835 VanDerWaalsContact O-CE2 3.28Å; S832-F835 WeakPolarHBondContact O-CE2 3.37Å; S832-F835 WeakPolarHBondContact OG-CE2 3.39Å; S832-F835 WeakPolarHBondContact OG-CZ 3.26Å
833	D	58.9	Low	79.8	Confident	109 Å²	109	34.4 Å²	34.4	58%	0.583	25%	0.248	S	C	*	.			trans	-75.7	20.4	173.4	-69.8	-26.4	0	0	0	111.8	R706 F835	R706-D833 VanDerWaalsContact CB-O 3.25Å; R706-D833 WeakPolarHBondContact CB-O 3.16Å; R706-D833 WeakPolarHBondContact CD-O 3.26Å; R706-D833 WeakPolarHBondContact CG-O 3.32Å; D833-F835 VanDerWaalsContact C-N 3.29Å; D833-F835 PolarHBondContact O-N 2.98Å; D833-F835 VanDerWaalsContact O-N 3.13Å
834	G	68.8	Low	79.3	Confident	16 Å²	16	35 Å²	35	17%	0.165	25%	0.253	C	S	.	.			trans	-81.2	14.3	-164.3	0	0	0	0	0	116.7	D807 S832	D807-G834 WeakPolarHBondContact CB-O 2.99Å; D807-G834 PolarHBondContact N-O 3.1Å; S832-G834 PolarHBondContact O-N 2.85Å
835	F	83.3	Confident	78.7	Confident	27 Å²	27	33.3 Å²	33.3	12%	0.118	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.5	-172.9	-36.5	-81.4	0	0	0	112.6	R706 Y804 W805 D806 L829 S832 D833	R706-F835 WeakPolarHBondContact CA-O 3.37Å; Y804-F835 HydrophobicContact CD2-CB 3.76Å; Y804-F835 AromaticContact CD2-CD1 3.8Å; Y804-F835 HydrophobicContact CD2-CD1 3.8Å; Y804-F835 HydrophobicContact CD2-CG 4.1Å; Y804-F835 HydrophobicContact CE2-CB 4.24Å; Y804-F835 AromaticContact CE2-CD1 3.45Å; Y804-F835 HydrophobicContact CE2-CD1 3.45Å; Y804-F835 VanDerWaalsContact CE2-CD1 3.45Å; Y804-F835 HydrophobicContact CE2-CE1 4.13Å; Y804-F835 HydrophobicContact CE2-CG 4.05Å; Y804-F835 HydrophobicContact CG-CB 4.27Å; W805-F835 VanDerWaalsContact O-CA 3.29Å; W805-F835 WeakPolarHBondContact O-CA 3.2Å; D806-F835 HydrophobicContact CB-CD1 4.09Å; D806-F835 HydrophobicContact CB-CE1 4.39Å; L829-F835 HydrophobicContact CB-CD2 4.16Å; L829-F835 HydrophobicContact CB-CE2 3.49Å; L829-F835 VanDerWaalsContact CB-CE2 3.49Å; L829-F835 HydrophobicContact CB-CZ 3.83Å; L829-F835 HydrophobicContact CD1-CD2 4.3Å; L829-F835 HydrophobicContact CD1-CE2 4.4Å; S832-F835 VanDerWaalsContact O-CE2 3.28Å; S832-F835 WeakPolarHBondContact O-CE2 3.37Å; S832-F835 WeakPolarHBondContact OG-CE2 3.39Å; S832-F835 WeakPolarHBondContact OG-CZ 3.26Å; D833-F835 VanDerWaalsContact C-N 3.29Å; D833-F835 PolarHBondContact O-N 2.98Å; D833-F835 VanDerWaalsContact O-N 3.13Å
836	S	90.5	Very high	78	Confident	12 Å²	12	34.6 Å²	34.6	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	115	179.5	-63.9	0	0	0	0	109.6	L703 G704 Y804 W805	L703-S836 WeakPolarHBondContact CD1-O 3.43Å; G704-S836 VanDerWaalsContact O-CB 3.26Å; G704-S836 WeakPolarHBondContact O-CB 3.23Å; G704-S836 PolarHBondContact O-OG 2.87Å; Y804-S836 CarbonylContact C-O 3.55Å; Y804-S836 WeakPolarHBondContact CA-O 3.34Å; Y804-S836 WeakPolarHBondContact CB-O 3.31Å; W805-S836 PolarHBondContact N-O 2.96Å; W805-S836 PolarHBondContact O-N 3.22Å
837	R	93.7	Very high	77.6	Confident	9 Å²	9	31.8 Å²	31.8	3%	0.034	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	142.5	-174	-61.2	-171.5	68.8	-157.5	-7.7	111.7	G704 P800 M801 D822 A825 C839	G704-R837 PolarHBondContact N-O 2.89Å; P800-R837 PolarHBondContact O-NH2 2.78Å; M801-R837 PolarHBondContact O-NE 3.29Å; D822-R837 VanDerWaalsContact O-CZ 3.3Å; D822-R837 PolarHBondContact O-NH1 3.37Å; D822-R837 PolarHBondContact O-NH2 2.78Å; A825-R837 PolarHBondContact O-NH1 3.46Å; R837-C839 PolarHBondContact O-N 3.33Å
838	F	94.1	Very high	78.2	Confident	0 Å²	0	30 Å²	30	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	108.8	167.1	-60.5	-67.6	0	0	0	108.7	L703 V778 L784 V789 P803 Y804 W805 C812	L703-F838 HydrophobicContact CD1-CD1 3.82Å; L703-F838 HydrophobicContact CD1-CE1 3.71Å; L703-F838 HydrophobicContact CD1-CZ 4.47Å; V778-F838 HydrophobicContact CB-CB 4.23Å; L784-F838 HydrophobicContact CD1-CD1 4.28Å; L784-F838 HydrophobicContact CD1-CD2 4.01Å; L784-F838 HydrophobicContact CD1-CE1 4.17Å; L784-F838 HydrophobicContact CD1-CE2 3.88Å; L784-F838 HydrophobicContact CD1-CG 4.21Å; L784-F838 HydrophobicContact CD1-CZ 3.97Å; L784-F838 HydrophobicContact CD2-CD1 4.11Å; L784-F838 HydrophobicContact CD2-CG 4.33Å; V789-F838 HydrophobicContact CG1-CE1 3.73Å; V789-F838 HydrophobicContact CG1-CZ 3.88Å; V789-F838 HydrophobicContact CG2-CE1 4.2Å; P803-F838 HydrophobicContact CB-CD2 4.11Å; P803-F838 HydrophobicContact CG-CB 4.24Å; P803-F838 PolarHBondContact O-N 3.48Å; Y804-F838 WeakPolarHBondContact O-CE2 3.31Å; W805-F838 HydrophobicContact CB-CE1 4.42Å; W805-F838 HydrophobicContact CB-CE2 4.27Å; W805-F838 HydrophobicContact CB-CZ 3.82Å; C812-F838 HydrophobicContact CB-CE2 4.38Å
839	C	95.2	Very high	79.5	Confident	0 Å²	0	28 Å²	28	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.6	-170.8	-65.2	0	0	0	0	111.7	V702 C710 V713 R837 C841	V702-C839 PolarHBondContact N-O 2.81Å; V702-C839 PolarHBondContact O-N 2.78Å; C710-C839 WeakPolarHBondContact CA-SG 3.28Å; C710-C839 HydrophobicContact CB-CB 3.6Å; C710-C839 WeakPolarHBondContact CB-SG 3.11Å; C710-C839 WeakPolarHBondContact SG-CA 3.47Å; C710-C839 WeakPolarHBondContact SG-CB 3.43Å; C710-C839 CovalentContact SG-SG 2.05Å; C710-C839 PolarHBondContact SG-SG 2.79Å; V713-C839 HydrophobicContact CG1-CB 4.28Å; R837-C839 PolarHBondContact O-N 3.33Å; C839-C841 PolarHBondContact O-N 2.82Å
840	P	94.9	Very high	81.1	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	114.1	169.6	31	-28.9	0	0	0	109.3	L699 C770 S771 H774 F775 V778	L699-P840 HydrophobicContact CD1-CB 3.76Å; C770-P840 CarbonylContact C-O 3.43Å; C770-P840 WeakPolarHBondContact CA-O 3.14Å; S771-P840 PolarHBondContact N-O 2.74Å; S771-P840 WeakPolarHBondContact O-CG 3.22Å; H774-P840 HydrophobicContact CB-CB 3.73Å; H774-P840 HydrophobicContact CB-CG 4.49Å; F775-P840 HydrophobicContact CD1-CG 3.86Å; F775-P840 HydrophobicContact CD2-CG 4.46Å; F775-P840 HydrophobicContact CE1-CG 4.03Å; F775-P840 HydrophobicContact CG-CG 4.08Å; F775-P840 HydrophobicContact CZ-CG 4.4Å; V778-P840 HydrophobicContact CG1-CB 4.12Å; V778-P840 HydrophobicContact CG2-CB 4.44Å; V778-P840 HydrophobicContact CG2-CG 4.15Å
841	C	94.2	Very high	82.8	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145	178.5	-56.6	0	0	0	0	110.5	L699 K700 V702 C714 L717 F768 R769 C839	L699-C841 CarbonylContact C-O 3.5Å; L699-C841 WeakPolarHBondContact CA-O 3.49Å; K700-C841 HydrophobicContact CB-CB 4.48Å; K700-C841 PolarHBondContact N-O 3.36Å; K700-C841 WeakPolarHBondContact O-CA 3.14Å; K700-C841 WeakPolarHBondContact O-CB 3.47Å; K700-C841 PolarHBondContact O-N 3.5Å; K700-C841 VanDerWaalsContact O-O 3.1Å; V702-C841 HydrophobicContact CG2-CB 4.41Å; C714-C841 WeakPolarHBondContact CA-SG 3.43Å; C714-C841 HydrophobicContact CB-CB 3.77Å; C714-C841 WeakPolarHBondContact CB-SG 3.24Å; C714-C841 WeakPolarHBondContact SG-CA 3.22Å; C714-C841 WeakPolarHBondContact SG-CB 3.27Å; C714-C841 CovalentContact SG-SG 2.03Å; C714-C841 PolarHBondContact SG-SG 2.88Å; L717-C841 HydrophobicContact CD1-CB 3.81Å; F768-C841 HydrophobicContact CB-CB 4.23Å; F768-C841 HydrophobicContact CD1-CB 4.39Å; R769-C841 CarbonylContact O-C 3.44Å; R769-C841 VanDerWaalsContact O-CA 3.25Å; R769-C841 WeakPolarHBondContact O-CA 3.37Å; C839-C841 PolarHBondContact O-N 2.82Å
842	R	90.8	Very high	84.4	Confident	22 Å²	22	18 Å²	18	8%	0.083	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	155.3	171	65.3	172.7	-177.2	73.6	0.2	110.7	S698 F768 R769 I849 S850	S698-R842 WeakPolarHBondContact O-CA 3.35Å; F768-R842 CarbonylContact C-O 3.33Å; F768-R842 VanDerWaalsContact CA-O 3.27Å; F768-R842 WeakPolarHBondContact CA-O 3.4Å; F768-R842 WeakPolarHBondContact CB-O 3.4Å; F768-R842 WeakPolarHBondContact CD1-O 3.3Å; R769-R842 HydrophobicContact CB-CG 4.48Å; R769-R842 PolarHBondContact N-O 3.36Å; R769-R842 PolarHBondContact O-N 2.83Å; R842-I849 PolarHBondContact NH1-O 3.38Å; R842-I849 VanDerWaalsContact NH1-O 3.16Å; R842-I849 PolarHBondContact NH2-O 3.37Å; R842-S850 PolarHBondContact NH2-O 2.81Å
843	D	85.9	Confident	85.6	Confident	29 Å²	29	17.5 Å²	17.5	16%	0.155	10%	0.103	C	C	.	.			trans	-70.5	167.9	167.5	68	-51.6	0	0	0	111	S698 F768 C852 S853	S698-D843 WeakPolarHBondContact CB-OD1 3.47Å; F768-D843 HydrophobicContact CD1-CB 4.35Å; F768-D843 HydrophobicContact CE1-CB 3.87Å; F768-D843 HydrophobicContact CZ-CB 4.24Å; D843-C852 WeakPolarHBondContact O-CA 3.23Å; D843-C852 WeakPolarHBondContact O-CB 3.43Å; D843-C852 WeakPolarHBondContact OD1-CB 3.26Å; D843-S853 WeakPolarHBondContact OD2-CB 3.43Å; D843-S853 PolarHBondContact OD2-N 2.84Å; D843-S853 PolarHBondContact OD2-OG 3.33Å
844	A	84.1	Confident	86.7	Confident	12 Å²	12	14.3 Å²	14.3	10%	0.099	9%	0.085	C	C	.	.			trans	-131.3	144.9	175.5	0	0	0	0	0	110.1	R769 L851	R769-A844 HydrophobicContact CG-CB 4.43Å; A844-L851 CarbonylContact C-O 3.52Å; A844-L851 WeakPolarHBondContact CA-O 3.34Å
845	L	82.5	Confident	87.6	Confident	8 Å²	8	13.6 Å²	13.6	4%	0.042	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-67.8	137.4	171.7	-75.5	179	0	0	0	109.1	I749 N847 Q848 L851 L856	I749-L845 HydrophobicContact CD1-CD1 4.31Å; I749-L845 HydrophobicContact CD1-CD2 3.79Å; L845-N847 PolarHBondContact O-N 3.37Å; L845-Q848 HydrophobicContact CB-CB 4.02Å; L845-Q848 CarbonylContact O-C 3.44Å; L845-Q848 VanDerWaalsContact O-C 3.31Å; L845-Q848 PolarHBondContact O-N 3.31Å; L845-L851 HydrophobicContact CD1-CB 3.91Å; L845-L851 HydrophobicContact CG-CB 4.42Å; L845-L851 PolarHBondContact N-O 3.45Å; L845-L856 HydrophobicContact CD1-CD1 3.78Å; L845-L856 HydrophobicContact CD1-CG 4.28Å
846	P	76.3	Confident	87.5	Confident	40 Å²	40	12.8 Å²	12.8	26%	0.26	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	129.2	176.9	-28	35.3	0	0	0	111.3	R752 L765 Y766 Q848	R752-P846 VanDerWaalsContact CZ-O 3.23Å; R752-P846 PolarHBondContact NH1-O 3.42Å; R752-P846 PolarHBondContact NH2-O 2.9Å; L765-P846 HydrophobicContact CB-CB 4.4Å; L765-P846 HydrophobicContact CD1-CB 4.48Å; L765-P846 HydrophobicContact CD2-CB 4.03Å; Y766-P846 HydrophobicContact CE1-CG 4.16Å; P846-Q848 PolarHBondContact O-N 3.43Å
847	N	80.2	Confident	87.4	Confident	17 Å²	17	12.8 Å²	12.8	9%	0.091	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	25.5	-175.2	-65.7	-37.9	0	0	0	115	H636 E637 T757 S759 L765 L845	H636-N847 HydrophobicContact CB-CB 3.76Å; E637-N847 VanDerWaalsContact CB-O 3.28Å; E637-N847 WeakPolarHBondContact CB-O 3.4Å; E637-N847 PolarHBondContact N-O 2.94Å; T757-N847 PolarHBondContact O-ND2 2.84Å; S759-N847 WeakPolarHBondContact CB-OD1 3.48Å; S759-N847 PolarHBondContact N-ND2 3.08Å; L765-N847 HydrophobicContact CD2-CB 4.45Å; L765-N847 VanDerWaalsContact CD2-N 3.3Å; L765-N847 VanDerWaalsContact CD2-OD1 3.26Å; L765-N847 WeakPolarHBondContact CD2-OD1 3.34Å; L845-N847 PolarHBondContact O-N 3.37Å
848	Q	88.1	Confident	87	Confident	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-151.2	73.6	170.8	-175.7	74.2	-93.1	0	0	109.7	G642 E645 L845 P846 S850 L851	G642-Q848 PolarHBondContact O-NE2 3.42Å; E645-Q848 WeakPolarHBondContact OE1-CG 3.35Å; E645-Q848 PolarHBondContact OE1-NE2 3.49Å; L845-Q848 HydrophobicContact CB-CB 4.02Å; L845-Q848 CarbonylContact O-C 3.44Å; L845-Q848 VanDerWaalsContact O-C 3.31Å; L845-Q848 PolarHBondContact O-N 3.31Å; P846-Q848 PolarHBondContact O-N 3.43Å; Q848-S850 PolarHBondContact O-N 3.41Å; Q848-S850 VanDerWaalsContact O-N 3.07Å; Q848-L851 HydrophobicContact CG-CB 3.98Å; Q848-L851 HydrophobicContact CG-CD1 3.82Å; Q848-L851 HydrophobicContact CG-CG 3.79Å; Q848-L851 PolarHBondContact O-N 2.87Å; Q848-L851 VanDerWaalsContact O-N 3.14Å
849	I	89	Confident	86.6	Confident	16 Å²	16	13.7 Å²	13.7	8%	0.082	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.5	-173.8	-169.8	162.4	0	0	0	114.1	P449 F456 E637 Y764 R769 R842 L851	P449-I849 HydrophobicContact CB-CB 4.45Å; P449-I849 HydrophobicContact CB-CD1 3.81Å; P449-I849 HydrophobicContact CB-CG1 4.38Å; P449-I849 HydrophobicContact CB-CG2 3.4Å; P449-I849 VanDerWaalsContact CB-CG2 3.4Å; P449-I849 HydrophobicContact CG-CD1 4.04Å; P449-I849 HydrophobicContact CG-CG2 3.79Å; F456-I849 HydrophobicContact CD1-CG2 3.61Å; F456-I849 HydrophobicContact CE1-CG2 4.03Å; F456-I849 HydrophobicContact CG-CG2 4.49Å; E637-I849 VanDerWaalsContact OE2-CG2 3.3Å; E637-I849 WeakPolarHBondContact OE2-CG2 3.41Å; E637-I849 PolarHBondContact OE2-N 2.93Å; Y764-I849 HydrophobicContact CE1-CD1 4.05Å; Y764-I849 VanDerWaalsContact OH-CD1 3.3Å; Y764-I849 WeakPolarHBondContact OH-CD1 3.17Å; R769-I849 HydrophobicContact CG-CG1 4.05Å; R842-I849 PolarHBondContact NH1-O 3.38Å; R842-I849 VanDerWaalsContact NH1-O 3.16Å; R842-I849 PolarHBondContact NH2-O 3.37Å; I849-L851 VanDerWaalsContact C-N 3.32Å; I849-L851 PolarHBondContact O-N 2.87Å
850	S	91	Very high	86.1	Confident	9 Å²	9	14.5 Å²	14.5	6%	0.063	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.6	-179.3	-77.2	0	0	0	0	114.9	F456 R646 Y650 R842 Q848	F456-S850 WeakPolarHBondContact CB-OG 3.28Å; F456-S850 WeakPolarHBondContact CD1-OG 3.37Å; F456-S850 PolarHBondContact O-OG 3.49Å; R646-S850 WeakPolarHBondContact CD-OG 3.43Å; Y650-S850 WeakPolarHBondContact OH-CB 3.4Å; Y650-S850 PolarHBondContact OH-OG 2.95Å; R842-S850 PolarHBondContact NH2-O 2.81Å; Q848-S850 PolarHBondContact O-N 3.41Å; Q848-S850 VanDerWaalsContact O-N 3.07Å
851	L	91	Very high	85.6	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.09	C	C	.	.			trans	-117.1	133.2	-170.7	-56.7	-175.3	0	0	0	109.8	E645 A649 W693 A844 L845 Q848 I849 C855 L856	E645-L851 HydrophobicContact CG-CD1 3.94Å; A649-L851 HydrophobicContact CB-CD1 4.11Å; A649-L851 HydrophobicContact CB-CD2 3.59Å; W693-L851 HydrophobicContact CH2-CD2 4.29Å; W693-L851 HydrophobicContact CZ2-CD2 3.99Å; A844-L851 CarbonylContact C-O 3.52Å; A844-L851 WeakPolarHBondContact CA-O 3.34Å; L845-L851 HydrophobicContact CD1-CB 3.91Å; L845-L851 HydrophobicContact CG-CB 4.42Å; L845-L851 PolarHBondContact N-O 3.45Å; Q848-L851 HydrophobicContact CG-CB 3.98Å; Q848-L851 HydrophobicContact CG-CD1 3.82Å; Q848-L851 HydrophobicContact CG-CG 3.79Å; Q848-L851 PolarHBondContact O-N 2.87Å; Q848-L851 VanDerWaalsContact O-N 3.14Å; I849-L851 VanDerWaalsContact C-N 3.32Å; I849-L851 PolarHBondContact O-N 2.87Å; L851-C855 HydrophobicContact CB-CB 4.32Å; L851-L856 HydrophobicContact CD1-CD2 3.68Å; L851-L856 HydrophobicContact CD1-CG 4.48Å
852	C	87.8	Confident	85	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.096	C	C	.	.			trans	-80.8	165.7	168.6	69.1	0	0	0	0	111.6	S698 D843 N854 C855	S698-C852 WeakPolarHBondContact CB-SG 2.92Å; S698-C852 PolarHBondContact OG-SG 2.95Å; S698-C852 VanDerWaalsContact OG-SG 3.4Å; D843-C852 WeakPolarHBondContact O-CA 3.23Å; D843-C852 WeakPolarHBondContact O-CB 3.43Å; D843-C852 WeakPolarHBondContact OD1-CB 3.26Å; C852-N854 PolarHBondContact O-N 3.43Å; C852-N854 VanDerWaalsContact O-N 3.15Å; C852-C855 HydrophobicContact CB-CB 4.1Å; C852-C855 WeakPolarHBondContact CB-SG 3.45Å; C852-C855 PolarHBondContact N-SG 3.38Å; C852-C855 WeakPolarHBondContact O-CB 3.48Å; C852-C855 PolarHBondContact O-N 2.95Å; C852-C855 VanDerWaalsContact SG-CA 3.51Å; C852-C855 WeakPolarHBondContact SG-CB 3.35Å; C852-C855 PolarHBondContact SG-N 3.45Å; C852-C855 CovalentContact SG-SG 2.05Å; C852-C855 PolarHBondContact SG-SG 2.98Å
853	S	78.3	Confident	84.6	Confident	42 Å²	42	16.1 Å²	16.1	29%	0.294	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-34.6	177.1	52.1	0	0	0	0	113.6	D843	D843-S853 WeakPolarHBondContact OD2-CB 3.43Å; D843-S853 PolarHBondContact OD2-N 2.84Å; D843-S853 PolarHBondContact OD2-OG 3.33Å
854	N	81.2	Confident	84.5	Confident	41 Å²	41	15.1 Å²	15.1	22%	0.219	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	8.9	-179.1	-61.7	-16.1	0	0	0	113.5	I301 P695 S697 C852	I301-N854 HydrophobicContact CG2-CB 4.35Å; I301-N854 WeakPolarHBondContact CG2-OD1 3.2Å; P695-N854 HydrophobicContact CG-CB 3.82Å; P695-N854 WeakPolarHBondContact CG-O 3.35Å; S697-N854 WeakPolarHBondContact CB-ND2 3.36Å; S697-N854 PolarHBondContact OG-ND2 3.11Å; C852-N854 PolarHBondContact O-N 3.43Å; C852-N854 VanDerWaalsContact O-N 3.15Å
855	C	86.9	Confident	84.5	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.007	9%	0.092	C	C	.	.			trans	-85.3	-12.3	-172.9	-78.6	0	0	0	0	114.1	W693 L851 C852	W693-C855 HydrophobicContact CZ2-CB 4Å; W693-C855 PolarHBondContact NE1-O 2.86Å; L851-C855 HydrophobicContact CB-CB 4.32Å; C852-C855 HydrophobicContact CB-CB 4.1Å; C852-C855 WeakPolarHBondContact CB-SG 3.45Å; C852-C855 PolarHBondContact N-SG 3.38Å; C852-C855 WeakPolarHBondContact O-CB 3.48Å; C852-C855 PolarHBondContact O-N 2.95Å; C852-C855 VanDerWaalsContact SG-CA 3.51Å; C852-C855 WeakPolarHBondContact SG-CB 3.35Å; C852-C855 PolarHBondContact SG-N 3.45Å; C852-C855 CovalentContact SG-SG 2.05Å; C852-C855 PolarHBondContact SG-SG 2.98Å
856	L	82.3	Confident	84.7	Confident	10 Å²	10	16 Å²	16	5%	0.052	10%	0.097	C	C	.	.			trans	-81.9	0	-177.8	-68.6	173.1	0	0	0	112.8	Q303 P304 E645 R653 Y748 I749 L845 L851	Q303-L856 CarbonylContact O-C 3.5Å; P304-L856 HydrophobicContact CB-CD2 4.36Å; P304-L856 HydrophobicContact CG-CB 4.33Å; P304-L856 HydrophobicContact CG-CD1 4.16Å; P304-L856 HydrophobicContact CG-CD2 4.18Å; P304-L856 HydrophobicContact CG-CG 4.47Å; E645-L856 HydrophobicContact CG-CD2 3.97Å; R653-L856 PolarHBondContact NE-OXT 3.19Å; R653-L856 PolarHBondContact NH2-O 3.13Å; R653-L856 PolarHBondContact NH2-OXT 3.41Å; Y748-L856 HydrophobicContact CD1-CD1 3.74Å; Y748-L856 HydrophobicContact CE1-CD1 3.59Å; I749-L856 HydrophobicContact CD1-CD1 3.75Å; L845-L856 HydrophobicContact CD1-CD1 3.78Å; L845-L856 HydrophobicContact CD1-CG 4.28Å; L851-L856 HydrophobicContact CD1-CD2 3.68Å; L851-L856 HydrophobicContact CD1-CG 4.48Å

Retrieved 856 of 856 residues in 174 ms (Link to these results)

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