A0A096NAD1_PAPAN Loading...

Vacuolar protein sorting-associated protein 11 homolog

Plays a role in vesicle-mediated protein trafficking to lysosomal compartments including the endocytic membrane transport and autophagic pathways. Believed to act as a core component of the putative HOPS and CORVET endosomal tethering complexes.

AlphaFold DB (A0A2K5ZDB3), UniProt , Accession A0A096NAD1, Species PAPAN (Papio anubis, Olive baboon), Gene VPS11, Length 941 aa.

						>A0A096NAD1_PAPAN|A0A096NAD1|VPS11
MAAYLQWRRFVFFDKELVKEPLGNDGAAPGATPASGSAASKFLCLPPGITVCDSGRGSLVFGDMEGQIWFLPRSLQLTGFQAYKLRVTHLYQLKQHNILASVGEDEEGINPLVKIWNLEKRDGGNPLCTRIFPAIPGTEPTVVSCLTVHENLNFMAIGFTDGSVTLNKGDITRDRHSKTQILHKGNYPVTGLAFRQAGKTTHLFVVTTENVQSYIVSGKDYPRVELDTHGCGLRCSALSDPSQDLQFIVAGDECVYLYQPDERGPCFAFEGHKLIAHWFRGYLVIVSRDRKVSPKSEFTSRDSQSSDKQILNIYDLCNKFIAYSAVFEDVVDVLAEWGSLYVLTRDGRVHALQEKDTQTKLEMLFKKNLFEMAINLAKSQHLDSDGLAQIFMQYGDHLYSKGNHDGAVQQYIRTIGKLEPSYVIRKFLDAQRIHNLTAYLQTLHRQSLANADHTTLLLNCYTKLKDSSKLEEFIKTKSESEVHFDVETAIKVLRQAGYYSHALYLAENHAHHEWYLKIQLEDIKNYQEALRYIGKLPFEQAESNMKRYGKILMHHIPEQTTQLLKGLCTDYRPSLEGRSDREAPGCRANSEEFIPIFANNPRELKAFLEHMSEVQPDSPQGIYDTLLELRLQNWAHEKDPQVKEKLHAEAISLLKSGRFCDVFDKALVLCQMHDFQDGVLYLYEQGKLFQQIMHYHMQHEQYRQVITVCERHGEQDPSLWEQALSYFARKEEDCKEYVAAVLKHIENKNLMPPLLVVQTLAHNSTATLSVIRDYLVQKLQKQSQQIAQDELRVRRYREETTRIRQEIQELKASPKIFQKTKCSICNSALELPSVHFLCGHSFHQHCFESYSESDADCPTCLPENRKVMDMIRAQEQKRDLHDQFQHQLKCSNDSFSVIADYFGRGVFNKLTLLTDPPTARLTSSLEAGLQRDLLMHSRRGT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.8	Very low	61	Low	249 Å²	249	127.8 Å²	127.8	100%	1.227	64%	0.635	S	S	*	*				0	87.3	0	-82.7	-173.7	-118.7	0	0	108.5	A3	M1-A3 PolarHBondContact O-N 3.11Å
2	A	29.9	Very low	63.6	Low	97 Å²	97	117.2 Å²	117.2	80%	0.802	58%	0.582	S	S	*	*			trans	-80	113	171.1	0	0	0	0	0	107.1	Y4	A2-Y4 PolarHBondContact O-N 3.02Å
3	A	29.7	Very low	65.9	Low	85 Å²	85	108.2 Å²	108.2	70%	0.702	54%	0.537	S	S	*	.			trans	-54.2	124.4	169.1	0	0	0	0	0	107.9	M1 L5	M1-A3 PolarHBondContact O-N 3.11Å; A3-L5 PolarHBondContact O-N 3.48Å
4	Y	38.5	Very low	67.8	Low	205 Å²	205	105.6 Å²	105.6	80%	0.804	53%	0.526	S	S	*	.			trans	-56.7	88.2	168.6	-90	-102.9	0	0	0	108.1	A2 Q6	A2-Y4 PolarHBondContact O-N 3.02Å; Y4-Q6 VanDerWaalsContact C-N 3.33Å; Y4-Q6 PolarHBondContact O-N 2.82Å
5	L	47.7	Very low	69.4	Low	140 Å²	140	104.3 Å²	104.3	73%	0.733	52%	0.516	S	S	*	.			trans	-69.8	97.3	171.6	-85.7	160.2	0	0	0	106.1	A3 W7	A3-L5 PolarHBondContact O-N 3.48Å; L5-W7 VanDerWaalsContact O-CD1 3.24Å; L5-W7 PolarHBondContact O-N 2.71Å
6	Q	64.1	Low	70.8	Confident	184 Å²	184	105.3 Å²	105.3	86%	0.86	52%	0.519	S	S	*	.			trans	-58.4	110.7	172.5	-160.7	174.8	17.8	0	0	108	Y4 R8	Y4-Q6 VanDerWaalsContact C-N 3.33Å; Y4-Q6 PolarHBondContact O-N 2.82Å; Q6-R8 PolarHBondContact O-N 2.99Å
7	W	79.8	Confident	71.9	Confident	52 Å²	52	102 Å²	102	20%	0.197	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-61.6	128.1	-178.5	-71.9	59.6	0	0	0	109.3	L5 F267 F269 Y314 D315 L316 K319 I321	L5-W7 VanDerWaalsContact O-CD1 3.24Å; L5-W7 PolarHBondContact O-N 2.71Å; W7-F267 HydrophobicContact CH2-CD1 4.2Å; W7-F267 AromaticContact CZ2-CD1 3.99Å; W7-F267 HydrophobicContact CZ2-CD1 3.99Å; W7-F269 HydrophobicContact CD2-CE1 4.3Å; W7-F269 AromaticContact CE2-CE1 3.8Å; W7-F269 AromaticContact CH2-CE1 3.95Å; W7-F269 HydrophobicContact CH2-CE1 3.95Å; W7-F269 AromaticContact CH2-CZ 3.94Å; W7-F269 HydrophobicContact CH2-CZ 3.94Å; W7-F269 AromaticContact CZ2-CE1 3.63Å; W7-F269 HydrophobicContact CZ2-CE1 3.63Å; W7-F269 AromaticContact CZ2-CZ 3.91Å; W7-F269 HydrophobicContact CZ2-CZ 3.91Å; W7-F269 HydrophobicContact CZ3-CE1 4.38Å; W7-Y314 HydrophobicContact CD2-CD1 4.35Å; W7-Y314 AromaticContact CE3-CD1 3.8Å; W7-Y314 HydrophobicContact CE3-CD1 3.8Å; W7-Y314 HydrophobicContact CE3-CE1 4.49Å; W7-Y314 AromaticContact CZ3-CD1 3.99Å; W7-Y314 HydrophobicContact CZ3-CD1 3.99Å; W7-D315 WeakPolarHBondContact CZ3-O 3.42Å; W7-L316 HydrophobicContact CH2-CD2 3.81Å; W7-L316 HydrophobicContact CZ3-CD2 4.37Å; W7-K319 HydrophobicContact CZ3-CB 4.48Å; W7-I321 HydrophobicContact CB-CD1 3.78Å; W7-I321 HydrophobicContact CB-CG1 3.85Å
8	R	85.3	Confident	72.7	Confident	140 Å²	140	97.1 Å²	97.1	53%	0.528	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	136.9	-179.2	-67	-177.1	-179.5	-171.8	1.2	110	Q6 F10 F320 I321	Q6-R8 PolarHBondContact O-N 2.99Å; R8-F10 HydrophobicContact CB-CE2 4Å; R8-F10 HydrophobicContact CB-CZ 4.3Å; R8-F320 WeakPolarHBondContact O-CB 3.14Å; R8-I321 PolarHBondContact O-N 3.17Å
9	R	88.3	Confident	73.4	Confident	171 Å²	171	97.8 Å²	97.8	65%	0.645	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	133	-177.4	-64.4	178.6	-178.2	177.5	-0.4	111.7	I321	R9-I321 HydrophobicContact CG-CB 4.02Å; R9-I321 HydrophobicContact CG-CD1 3.76Å; R9-I321 HydrophobicContact CG-CG1 4.47Å; R9-I321 HydrophobicContact CG-CG2 4.29Å
10	F	89.4	Confident	73.3	Confident	9 Å²	9	96.9 Å²	96.9	4%	0.039	48%	0.475	C	S	.	.			trans	-124.4	171.6	173.8	-60.5	-78.1	0	0	0	110.6	R8 F12 F320 I321 A322 L364 K367 L369	R8-F10 HydrophobicContact CB-CE2 4Å; R8-F10 HydrophobicContact CB-CZ 4.3Å; F10-F12 HydrophobicContact CB-CD1 3.83Å; F10-F12 HydrophobicContact CB-CD2 4.21Å; F10-F12 HydrophobicContact CB-CE1 3.71Å; F10-F12 HydrophobicContact CB-CE2 4.09Å; F10-F12 HydrophobicContact CB-CG 4.09Å; F10-F12 HydrophobicContact CB-CZ 3.84Å; F10-F12 HydrophobicContact CD1-CE1 4.14Å; F10-F12 HydrophobicContact CD1-CZ 4.08Å; F10-F12 HydrophobicContact CD2-CE2 4.35Å; F10-F12 HydrophobicContact CD2-CZ 4.25Å; F10-F12 HydrophobicContact CG-CE1 4.01Å; F10-F12 HydrophobicContact CG-CE2 4.22Å; F10-F12 AromaticContact CG-CZ 3.79Å; F10-F12 HydrophobicContact CG-CZ 3.79Å; F10-F320 HydrophobicContact CD2-CB 3.97Å; F10-F320 AromaticContact CD2-CD2 3.63Å; F10-F320 HydrophobicContact CD2-CD2 3.63Å; F10-F320 HydrophobicContact CD2-CE2 4.34Å; F10-F320 AromaticContact CD2-CG 3.86Å; F10-F320 HydrophobicContact CD2-CG 3.86Å; F10-F320 HydrophobicContact CE2-CB 3.75Å; F10-F320 HydrophobicContact CE2-CD1 4.43Å; F10-F320 HydrophobicContact CE2-CD2 4.14Å; F10-F320 AromaticContact CE2-CG 3.87Å; F10-F320 HydrophobicContact CE2-CG 3.87Å; F10-I321 PolarHBondContact N-O 3.17Å; F10-A322 CarbonylContact C-O 3.57Å; F10-A322 CarbonylContact O-C 3.56Å; F10-L364 HydrophobicContact CD1-CD2 4.17Å; F10-L364 HydrophobicContact CE1-CD2 3.47Å; F10-L364 VanDerWaalsContact CE1-CD2 3.47Å; F10-L364 HydrophobicContact CE2-CD2 4.47Å; F10-L364 HydrophobicContact CZ-CD2 3.65Å; F10-K367 HydrophobicContact CE1-CD 4.28Å; F10-L369 HydrophobicContact CE1-CD1 3.85Å; F10-L369 HydrophobicContact CZ-CD1 3.64Å
11	V	91.6	Very high	73	Confident	74 Å²	74	95.1 Å²	95.1	45%	0.448	47%	0.471	S	S	.	.			trans	-124.7	64.6	177.7	-169.8	0	0	0	0	107.6	F13 Y323 K355 M363	V11-F13 VanDerWaalsContact C-N 3.27Å; V11-Y323 HydrophobicContact CG1-CD2 4.21Å; V11-Y323 HydrophobicContact CG1-CE2 4.24Å; V11-K355 PolarHBondContact O-NZ 2.94Å; V11-M363 HydrophobicContact CB-CE 4.4Å
12	F	91.9	Very high	74.3	Confident	0 Å²	0	90.5 Å²	90.5	0%	0	45%	0.451	C	S	.	.			trans	-84.1	-3.4	-179.3	-68.1	-14.3	0	0	0	113.4	F10 F320 A322 K355 K360 M363 L364 L376	F10-F12 HydrophobicContact CB-CD1 3.83Å; F10-F12 HydrophobicContact CB-CD2 4.21Å; F10-F12 HydrophobicContact CB-CE1 3.71Å; F10-F12 HydrophobicContact CB-CE2 4.09Å; F10-F12 HydrophobicContact CB-CG 4.09Å; F10-F12 HydrophobicContact CB-CZ 3.84Å; F10-F12 HydrophobicContact CD1-CE1 4.14Å; F10-F12 HydrophobicContact CD1-CZ 4.08Å; F10-F12 HydrophobicContact CD2-CE2 4.35Å; F10-F12 HydrophobicContact CD2-CZ 4.25Å; F10-F12 HydrophobicContact CG-CE1 4.01Å; F10-F12 HydrophobicContact CG-CE2 4.22Å; F10-F12 AromaticContact CG-CZ 3.79Å; F10-F12 HydrophobicContact CG-CZ 3.79Å; F12-F320 AromaticContact CD2-CE2 3.71Å; F12-F320 HydrophobicContact CD2-CE2 3.71Å; F12-F320 HydrophobicContact CD2-CZ 4.11Å; F12-F320 HydrophobicContact CE2-CD2 4.32Å; F12-F320 HydrophobicContact CE2-CE1 4.49Å; F12-F320 AromaticContact CE2-CE2 3.48Å; F12-F320 HydrophobicContact CE2-CE2 3.48Å; F12-F320 VanDerWaalsContact CE2-CE2 3.48Å; F12-F320 AromaticContact CE2-CZ 3.61Å; F12-F320 HydrophobicContact CE2-CZ 3.61Å; F12-A322 HydrophobicContact CB-CB 4.39Å; F12-A322 WeakPolarHBondContact CB-O 3.47Å; F12-A322 HydrophobicContact CD2-CB 4.2Å; F12-A322 PolarHBondContact N-O 2.9Å; F12-K355 WeakPolarHBondContact O-CB 3.34Å; F12-K355 PolarHBondContact O-N 3.48Å; F12-K360 HydrophobicContact CB-CD 4.35Å; F12-K360 HydrophobicContact CB-CG 4.33Å; F12-K360 HydrophobicContact CD1-CB 4.23Å; F12-K360 HydrophobicContact CD1-CD 4.37Å; F12-K360 HydrophobicContact CD1-CG 3.72Å; F12-K360 HydrophobicContact CD2-CD 4.07Å; F12-K360 HydrophobicContact CD2-CG 4.3Å; F12-K360 HydrophobicContact CE1-CB 3.98Å; F12-K360 HydrophobicContact CE1-CG 4Å; F12-K360 HydrophobicContact CE2-CD 4.42Å; F12-K360 HydrophobicContact CG-CD 4.04Å; F12-K360 HydrophobicContact CG-CG 3.89Å; F12-K360 HydrophobicContact CZ-CB 4.22Å; F12-K360 HydrophobicContact CZ-CG 4.41Å; F12-M363 HydrophobicContact CD1-SD 4.35Å; F12-M363 HydrophobicContact CE1-SD 4.48Å; F12-L364 HydrophobicContact CZ-CD1 4.42Å; F12-L364 HydrophobicContact CZ-CD2 4.29Å; F12-L364 HydrophobicContact CZ-CG 4.3Å; F12-L376 HydrophobicContact CE2-CD2 4.5Å
13	F	93.7	Very high	75.2	Confident	0 Å²	0	88.7 Å²	88.7	0%	0	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.2	173.9	-68.6	-104.9	0	0	0	109.4	V11 F279 Y282 I313 A322 Y323 L340 L352 Q353 E354	V11-F13 VanDerWaalsContact C-N 3.27Å; F13-F279 HydrophobicContact CE1-CD1 4.38Å; F13-F279 AromaticContact CE1-CE1 3.95Å; F13-F279 HydrophobicContact CE1-CE1 3.95Å; F13-F279 HydrophobicContact CZ-CD1 4.42Å; F13-F279 HydrophobicContact CZ-CE1 4.25Å; F13-Y282 HydrophobicContact CE2-CD2 4.46Å; F13-Y282 HydrophobicContact CE2-CE2 4.23Å; F13-Y282 AromaticContact CZ-CD2 3.97Å; F13-Y282 HydrophobicContact CZ-CD2 3.97Å; F13-Y282 AromaticContact CZ-CE2 3.89Å; F13-Y282 HydrophobicContact CZ-CE2 3.89Å; F13-I313 HydrophobicContact CD1-CD1 4.02Å; F13-I313 HydrophobicContact CD2-CD1 3.89Å; F13-I313 HydrophobicContact CE1-CD1 4.04Å; F13-I313 HydrophobicContact CE2-CB 4.49Å; F13-I313 HydrophobicContact CE2-CD1 3.93Å; F13-I313 HydrophobicContact CE2-CG2 3.85Å; F13-I313 HydrophobicContact CG-CD1 3.94Å; F13-I313 HydrophobicContact CZ-CD1 4Å; F13-I313 HydrophobicContact CZ-CG2 4.11Å; F13-A322 HydrophobicContact CD2-CB 4.32Å; F13-A322 HydrophobicContact CE2-CB 3.94Å; F13-Y323 HydrophobicContact CB-CD1 4.29Å; F13-Y323 HydrophobicContact CB-CD2 3.86Å; F13-Y323 HydrophobicContact CB-CE2 4.45Å; F13-Y323 HydrophobicContact CB-CG 3.78Å; F13-Y323 HydrophobicContact CG-CG 4.46Å; F13-Y323 WeakPolarHBondContact O-CD2 3.36Å; F13-Y323 VanDerWaalsContact O-CE2 3.3Å; F13-Y323 WeakPolarHBondContact O-CE2 3.18Å; F13-L340 HydrophobicContact CE1-CD1 4.21Å; F13-L352 HydrophobicContact CB-CB 4.42Å; F13-L352 HydrophobicContact CD1-CB 4.1Å; F13-Q353 CarbonylContact C-O 3.59Å; F13-Q353 VanDerWaalsContact CA-O 3.22Å; F13-Q353 WeakPolarHBondContact CA-O 3.3Å; F13-E354 HydrophobicContact CD1-CB 4.04Å; F13-E354 HydrophobicContact CE1-CB 3.66Å; F13-E354 HydrophobicContact CE1-CG 4.07Å; F13-E354 HydrophobicContact CE2-CG 4.26Å; F13-E354 HydrophobicContact CZ-CB 4.02Å; F13-E354 HydrophobicContact CZ-CG 3.9Å
14	D	92.1	Very high	75.6	Confident	72 Å²	72	92.7 Å²	92.7	39%	0.385	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.8	169.1	-67.5	-40.1	0	0	0	109.3	L352 Q353 K355	D14-L352 WeakPolarHBondContact O-CA 3.22Å; D14-Q353 PolarHBondContact N-O 3.19Å; D14-Q353 PolarHBondContact O-N 3.45Å; D14-K355 WeakPolarHBondContact OD1-CE 3.36Å; D14-K355 IonicContact OD1-NZ 2.88Å; D14-K355 PolarHBondContact OD1-NZ 2.85Å; D14-K355 WeakPolarHBondContact OD2-CE 3.33Å; D14-K355 IonicContact OD2-NZ 3.22Å
15	K	92.6	Very high	75.6	Confident	86 Å²	86	89.9 Å²	89.9	37%	0.374	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.2	179.7	173.5	179.4	175.4	173.5	0	109.8	Y323 F327 L352	K15-Y323 VanDerWaalsContact CB-OH 3.29Å; K15-Y323 WeakPolarHBondContact CB-OH 3.44Å; K15-F327 HydrophobicContact CD-CE1 4.29Å; K15-F327 HydrophobicContact CD-CZ 4.13Å; K15-F327 VanDerWaalsContact NZ-CE1 3.32Å; K15-L352 HydrophobicContact CB-CD2 3.65Å; K15-L352 HydrophobicContact CG-CD2 3.94Å
16	E	91.7	Very high	75.4	Confident	121 Å²	121	87.2 Å²	87.2	57%	0.565	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.7	174.3	-62.2	-166.9	163	0	0	110.6	H350 A351	E16-H350 CarbonylContact O-C 3.35Å; E16-H350 WeakPolarHBondContact O-CA 3.39Å; E16-A351 PolarHBondContact N-O 2.67Å; E16-A351 PolarHBondContact O-N 3.33Å
17	L	89.4	Confident	73.8	Confident	49 Å²	49	82.6 Å²	82.6	26%	0.257	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.2	172.5	179.3	63.2	0	0	0	108.5	K19 F42 R348	L17-K19 PolarHBondContact O-N 2.72Å; L17-F42 HydrophobicContact CB-CD1 4.4Å; L17-F42 HydrophobicContact CB-CE1 4.41Å; L17-F42 HydrophobicContact CD2-CB 4.36Å; L17-F42 HydrophobicContact CD2-CD1 3.31Å; L17-F42 HydrophobicContact CD2-CD2 4.15Å; L17-F42 HydrophobicContact CD2-CE1 3.46Å; L17-F42 VanDerWaalsContact CD2-CE1 3.46Å; L17-F42 HydrophobicContact CD2-CE2 4.28Å; L17-F42 HydrophobicContact CD2-CG 3.68Å; L17-F42 HydrophobicContact CD2-CZ 3.95Å; L17-F42 HydrophobicContact CG-CD1 3.6Å; L17-F42 HydrophobicContact CG-CE1 3.99Å; L17-F42 HydrophobicContact CG-CG 4.22Å; L17-R348 HydrophobicContact CD1-CB 3.92Å; L17-R348 HydrophobicContact CD1-CG 4.37Å
18	V	86.7	Confident	71.8	Confident	14 Å²	14	83.9 Å²	83.9	9%	0.085	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-67.7	126.7	-176.3	-179.5	0	0	0	0	110.1	L43 L75 Y341 V349 A351	V18-L43 HydrophobicContact CG1-CB 4.14Å; V18-L43 HydrophobicContact CG1-CD2 3.93Å; V18-L43 PolarHBondContact O-N 3.36Å; V18-L43 VanDerWaalsContact O-N 3.09Å; V18-L75 HydrophobicContact CG1-CD1 3.76Å; V18-L75 HydrophobicContact CG1-CD2 3.88Å; V18-L75 HydrophobicContact CG1-CG 4.44Å; V18-Y341 HydrophobicContact CG2-CD1 4.35Å; V18-Y341 HydrophobicContact CG2-CE1 4.2Å; V18-V349 HydrophobicContact CB-CB 4.31Å; V18-V349 WeakPolarHBondContact CB-O 3.49Å; V18-V349 HydrophobicContact CG2-CB 4.22Å; V18-V349 HydrophobicContact CG2-CG1 4.03Å; V18-V349 WeakPolarHBondContact CG2-O 3.47Å; V18-V349 PolarHBondContact N-O 2.82Å; V18-A351 HydrophobicContact CG2-CB 4.01Å
19	K	84.7	Confident	69.4	Low	111 Å²	111	84 Å²	84	48%	0.483	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-100.2	147.7	179.3	-64.4	177.1	-179.7	-175.4	0	110.3	L17 F42 L75	L17-K19 PolarHBondContact O-N 2.72Å; K19-F42 HydrophobicContact CG-CD1 3.94Å; K19-F42 HydrophobicContact CG-CE1 4.08Å; K19-L75 WeakPolarHBondContact O-CD1 3.16Å
20	E	73.1	Confident	67.1	Low	79 Å²	79	79.8 Å²	79.8	37%	0.369	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-64.4	144.3	172.2	-70.9	-175.8	159.7	0	0	110.2	L22 K41 L43	E20-L22 PolarHBondContact O-N 3.3Å; E20-K41 PolarHBondContact N-O 2.88Å; E20-K41 WeakPolarHBondContact OE2-CB 3.47Å; E20-L43 HydrophobicContact CG-CB 4.15Å; E20-L43 HydrophobicContact CG-CD1 4.06Å
21	P	66.4	Low	64.5	Low	60 Å²	60	83.8 Å²	83.8	39%	0.39	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-61.9	130	167.1	26.8	-31	0	0	0	108.1	G23 L75	P21-G23 PolarHBondContact O-N 3.44Å; P21-L75 HydrophobicContact CG-CB 4.31Å
22	L	54.4	Low	61.7	Low	152 Å²	152	86.7 Å²	86.7	80%	0.796	55%	0.552	S	S	*	*			trans	-56.6	107.9	173.5	-75.1	161.5	0	0	0	108.1	E20 N24	E20-L22 PolarHBondContact O-N 3.3Å; L22-N24 PolarHBondContact O-N 3.21Å
23	G	48.3	Very low	58.9	Low	58 Å²	58	92.7 Å²	92.7	60%	0.598	59%	0.591	S	S	*	*			trans	-58	127.2	175.2	0	0	0	0	0	109.2	P21 D25	P21-G23 PolarHBondContact O-N 3.44Å; G23-D25 PolarHBondContact O-N 3.23Å
24	N	38.9	Very low	56	Low	170 Å²	170	97.4 Å²	97.4	91%	0.909	63%	0.63	S	S	*	*			trans	-72.4	79.7	163.1	-153.9	36.1	0	0	0	105.8	L22 G26	L22-N24 PolarHBondContact O-N 3.21Å; N24-G26 PolarHBondContact O-N 3.24Å; N24-G26 VanDerWaalsContact O-N 3.11Å
25	D	37.7	Very low	53.5	Low	146 Å²	146	100.2 Å²	100.2	78%	0.781	66%	0.655	S	S	*	*			trans	-55.1	121.1	172.3	-81.5	-22.3	0	0	0	107	G23 A27	G23-D25 PolarHBondContact O-N 3.23Å; D25-A27 PolarHBondContact O-N 3Å
26	G	42.6	Very low	50.6	Low	84 Å²	84	99.2 Å²	99.2	87%	0.866	67%	0.669	S	S	*	*			trans	-62.4	82.4	171.6	0	0	0	0	0	109.7	N24 A28	N24-G26 PolarHBondContact O-N 3.24Å; N24-G26 VanDerWaalsContact O-N 3.11Å; G26-A28 PolarHBondContact O-N 2.82Å
27	A	30.8	Very low	47.9	Very low	87 Å²	87	99 Å²	99	72%	0.719	68%	0.681	S	S	*	*			trans	-74.9	112.4	166.9	0	0	0	0	0	107.7	D25	D25-A27 PolarHBondContact O-N 3Å
28	A	38	Very low	45.4	Very low	79 Å²	79	100.9 Å²	100.9	65%	0.653	70%	0.704	S	S	*	*			trans	-48	141.4	157.5	0	0	0	0	0	109.3	G26 G30	G26-A28 PolarHBondContact O-N 2.82Å; A28-G30 PolarHBondContact O-N 2.95Å
29	P	35.6	Very low	43.2	Very low	142 Å²	142	104.3 Å²	104.3	92%	0.922	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	100.1	-175.9	27.3	-31.8	0	0	0	109.3
30	G	40.3	Very low	41.4	Very low	82 Å²	82	101.3 Å²	101.3	85%	0.845	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	161.7	5.6	174.7	0	0	0	0	0	120.1	A28	A28-G30 PolarHBondContact O-N 2.95Å
31	A	33.8	Very low	41.2	Very low	93 Å²	93	105.1 Å²	105.1	77%	0.769	74%	0.742	S	S	*	*			trans	-117.6	121.4	174.6	0	0	0	0	0	111.5
32	T	32.7	Very low	41.6	Very low	135 Å²	135	106.9 Å²	106.9	83%	0.828	74%	0.744	S	S	*	*			trans	-63.4	141.1	175.7	38.2	0	0	0	0	111.4	A34	T32-A34 PolarHBondContact O-N 2.88Å
33	P	33.8	Very low	42.9	Very low	127 Å²	127	100 Å²	100	83%	0.825	71%	0.708	S	S	*	*			trans	-77.4	115	178	29.7	-29.1	0	0	0	109.4
34	A	33	Very low	44.4	Very low	98 Å²	98	101 Å²	101	81%	0.81	70%	0.704	S	S	*	*			trans	-68.1	130.1	165.8	0	0	0	0	0	109.2	T32 G36	T32-A34 PolarHBondContact O-N 2.88Å; A34-G36 PolarHBondContact O-N 3.07Å; A34-G36 VanDerWaalsContact O-N 3.16Å
35	S	38.3	Very low	46.6	Very low	131 Å²	131	93.2 Å²	93.2	92%	0.916	66%	0.663	S	S	*	*			trans	-57.2	109.8	176.1	53.6	0	0	0	0	112.1
36	G	33.3	Very low	48.7	Very low	65 Å²	65	87.5 Å²	87.5	67%	0.67	63%	0.634	S	S	*	*			trans	-159.5	128.4	165.4	0	0	0	0	0	108.1	A34 A38	A34-G36 PolarHBondContact O-N 3.07Å; A34-G36 VanDerWaalsContact O-N 3.16Å; G36-A38 PolarHBondContact O-N 3.26Å; G36-A38 VanDerWaalsContact O-N 3.1Å
37	S	34.7	Very low	50.5	Low	117 Å²	117	88.9 Å²	88.9	82%	0.818	63%	0.627	S	S	*	*			trans	-54.6	118.5	-178.5	64.1	0	0	0	0	110.2	A39	S37-A39 PolarHBondContact O-N 3.25Å
38	A	36.3	Very low	53	Low	89 Å²	89	86.6 Å²	86.6	74%	0.736	61%	0.613	S	S	*	*			trans	-65.1	86.8	170.3	0	0	0	0	0	108.6	G36 S40	G36-A38 PolarHBondContact O-N 3.26Å; G36-A38 VanDerWaalsContact O-N 3.1Å; A38-S40 PolarHBondContact O-N 3.22Å; A38-S40 VanDerWaalsContact O-N 3.14Å
39	A	40.4	Very low	55.4	Low	86 Å²	86	84.4 Å²	84.4	71%	0.711	59%	0.59	S	S	*	*			trans	-61.1	115.2	168.9	0	0	0	0	0	106.8	S37 K41	S37-A39 PolarHBondContact O-N 3.25Å; A39-K41 PolarHBondContact O-N 3.09Å
40	S	46.2	Very low	57.9	Low	48 Å²	48	79.8 Å²	79.8	34%	0.336	56%	0.559	S	S	.	*			trans	-53.8	109.5	176.4	55.1	0	0	0	0	109.3	A38 F42	A38-S40 PolarHBondContact O-N 3.22Å; A38-S40 VanDerWaalsContact O-N 3.14Å; S40-F42 PolarHBondContact O-N 2.73Å
41	K	69.6	Low	60.3	Low	159 Å²	159	76.8 Å²	76.8	69%	0.691	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-62.4	134.7	173.1	-103.1	178.4	172.3	179	0	109	E20 A39	E20-K41 PolarHBondContact N-O 2.88Å; E20-K41 WeakPolarHBondContact OE2-CB 3.47Å; A39-K41 PolarHBondContact O-N 3.09Å
42	F	76	Confident	63.2	Low	97 Å²	97	72.8 Å²	72.8	43%	0.425	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-80.5	145.9	174.8	-61.4	-70.3	0	0	0	109.5	L17 K19 S40 C44	L17-F42 HydrophobicContact CB-CD1 4.4Å; L17-F42 HydrophobicContact CB-CE1 4.41Å; L17-F42 HydrophobicContact CD2-CB 4.36Å; L17-F42 HydrophobicContact CD2-CD1 3.31Å; L17-F42 HydrophobicContact CD2-CD2 4.15Å; L17-F42 HydrophobicContact CD2-CE1 3.46Å; L17-F42 VanDerWaalsContact CD2-CE1 3.46Å; L17-F42 HydrophobicContact CD2-CE2 4.28Å; L17-F42 HydrophobicContact CD2-CG 3.68Å; L17-F42 HydrophobicContact CD2-CZ 3.95Å; L17-F42 HydrophobicContact CG-CD1 3.6Å; L17-F42 HydrophobicContact CG-CE1 3.99Å; L17-F42 HydrophobicContact CG-CG 4.22Å; K19-F42 HydrophobicContact CG-CD1 3.94Å; K19-F42 HydrophobicContact CG-CE1 4.08Å; S40-F42 PolarHBondContact O-N 2.73Å; F42-C44 PolarHBondContact O-N 2.96Å
43	L	80.6	Confident	66	Low	8 Å²	8	68 Å²	68	4%	0.042	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-66.3	117.9	176	-178.2	71	0	0	0	108.4	V18 E20 L71	V18-L43 HydrophobicContact CG1-CB 4.14Å; V18-L43 HydrophobicContact CG1-CD2 3.93Å; V18-L43 PolarHBondContact O-N 3.36Å; V18-L43 VanDerWaalsContact O-N 3.09Å; E20-L43 HydrophobicContact CG-CB 4.15Å; E20-L43 HydrophobicContact CG-CD1 4.06Å; L43-L71 HydrophobicContact CD2-CD1 3.91Å; L43-L71 HydrophobicContact CD2-CD2 3.56Å; L43-L71 HydrophobicContact CD2-CG 4.38Å
44	C	80.8	Confident	68.8	Low	77 Å²	77	62.3 Å²	62.3	52%	0.52	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-111.4	122.7	174.6	-167.7	0	0	0	0	109	F42 G347	F42-C44 PolarHBondContact O-N 2.96Å; C44-G347 WeakPolarHBondContact CA-O 3.22Å
45	L	84.6	Confident	71.5	Confident	7 Å²	7	57.7 Å²	57.7	4%	0.037	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-75.4	157.6	174.5	-66.9	174.9	0	0	0	111.4	I49 F61 L77 L343 G347 V349	L45-I49 HydrophobicContact CB-CD1 3.62Å; L45-I49 HydrophobicContact CD1-CD1 3.71Å; L45-I49 HydrophobicContact CG-CD1 4.23Å; L45-F61 HydrophobicContact CD1-CE1 4.23Å; L45-F61 HydrophobicContact CD1-CE2 4.22Å; L45-F61 HydrophobicContact CD1-CZ 4Å; L45-F61 HydrophobicContact CD2-CD2 4.11Å; L45-F61 HydrophobicContact CD2-CE2 3.7Å; L45-F61 HydrophobicContact CD2-CZ 4.24Å; L45-L77 HydrophobicContact CD2-CD1 4.06Å; L45-L343 HydrophobicContact CD1-CD2 3.34Å; L45-L343 HydrophobicContact CD1-CG 4.21Å; L45-G347 PolarHBondContact N-O 3.42Å; L45-V349 HydrophobicContact CD1-CG2 3.5Å; L45-V349 HydrophobicContact CG-CG2 3.85Å
46	P	81.8	Confident	73.7	Confident	26 Å²	26	57 Å²	57	17%	0.169	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-55.4	141.6	174.2	-23.5	33.4	0	0	0	111.5	W69 L77	P46-W69 HydrophobicContact CB-CZ2 4.4Å; P46-W69 HydrophobicContact CG-CD2 3.94Å; P46-W69 HydrophobicContact CG-CG 4.3Å; P46-W69 HydrophobicContact CG-CH2 4.42Å; P46-W69 HydrophobicContact CG-CZ2 3.84Å; P46-L77 HydrophobicContact CG-CD2 3.83Å
47	P	80	Confident	76.3	Confident	113 Å²	113	55.2 Å²	55.2	73%	0.734	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	149.9	174.4	29.5	-34	0	0	0	110.3
48	G	83.1	Confident	78.9	Confident	40 Å²	40	50.8 Å²	50.8	41%	0.412	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	26.7	174	0	0	0	0	0	115.2	T50 D63 M64	G48-T50 PolarHBondContact O-N 3.01Å; G48-D63 CarbonylContact O-C 3.52Å; G48-D63 WeakPolarHBondContact O-CA 3.49Å; G48-M64 WeakPolarHBondContact O-CG 3.39Å; G48-M64 PolarHBondContact O-N 2.84Å
49	I	88.9	Confident	81.6	Confident	33 Å²	33	46.5 Å²	46.5	17%	0.169	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	125.3	167.8	-67.1	167.8	0	0	0	109.8	L45 C52 F61 G62	L45-I49 HydrophobicContact CB-CD1 3.62Å; L45-I49 HydrophobicContact CD1-CD1 3.71Å; L45-I49 HydrophobicContact CG-CD1 4.23Å; I49-C52 WeakPolarHBondContact CG2-SG 3.38Å; I49-F61 HydrophobicContact CD1-CB 4.28Å; I49-F61 HydrophobicContact CD1-CD1 4.44Å; I49-F61 HydrophobicContact CD1-CG 4.3Å; I49-F61 HydrophobicContact CG1-CB 4.33Å; I49-F61 HydrophobicContact CG2-CB 4.3Å; I49-G62 CarbonylContact C-O 3.57Å; I49-G62 WeakPolarHBondContact CA-O 3.17Å
50	T	88.3	Confident	84.2	Confident	44 Å²	44	42.4 Å²	42.4	27%	0.27	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-38.5	-179.1	50.4	0	0	0	0	112.4	G48 G62 M64 V87	G48-T50 PolarHBondContact O-N 3.01Å; T50-G62 PolarHBondContact N-O 2.95Å; T50-G62 PolarHBondContact OG1-O 2.87Å; T50-M64 HydrophobicContact CG2-CB 4.28Å; T50-M64 HydrophobicContact CG2-CE 3.71Å; T50-M64 HydrophobicContact CG2-CG 3.44Å; T50-M64 VanDerWaalsContact CG2-CG 3.44Å; T50-M64 HydrophobicContact CG2-SD 3.23Å; T50-M64 WeakPolarHBondContact CG2-SD 3.3Å; T50-V87 WeakPolarHBondContact CB-O 3.42Å; T50-V87 PolarHBondContact OG1-O 2.67Å
51	V	90.9	Very high	86.5	Confident	19 Å²	19	40.1 Å²	40.1	12%	0.115	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	145.3	-175.3	59.8	0	0	0	0	110.1	G62 V87 T88 L90	V51-G62 PolarHBondContact N-O 3.34Å; V51-G62 PolarHBondContact O-N 2.68Å; V51-V87 HydrophobicContact CG1-CG1 4.03Å; V51-T88 WeakPolarHBondContact CB-O 3.37Å; V51-L90 HydrophobicContact CG1-CB 4.31Å; V51-L90 HydrophobicContact CG1-CD1 3.89Å; V51-L90 HydrophobicContact CG1-CG 3.7Å; V51-L90 HydrophobicContact CG2-CB 4.25Å
52	C	93.2	Very high	87.6	Confident	9 Å²	9	32.6 Å²	32.6	6%	0.061	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.9	174.8	-35.6	0	0	0	0	109.6	I49 V60 F61 D332 L334	I49-C52 WeakPolarHBondContact CG2-SG 3.38Å; C52-V60 CarbonylContact C-O 3.52Å; C52-V60 WeakPolarHBondContact CA-O 3.39Å; C52-F61 HydrophobicContact CB-CD1 3.83Å; C52-F61 HydrophobicContact CB-CE1 4.24Å; C52-D332 HydrophobicContact CB-CB 4.31Å; C52-D332 VanDerWaalsContact CB-OD2 3.3Å; C52-D332 WeakPolarHBondContact CB-OD2 3.37Å; C52-L334 HydrophobicContact CB-CD1 3.83Å; C52-L334 HydrophobicContact CB-CD2 3.99Å; C52-L334 HydrophobicContact CB-CG 4.29Å
53	D	93.2	Very high	88.4	Confident	35 Å²	35	28.1 Å²	28.1	19%	0.187	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	170.1	168	-163.5	13.3	0	0	0	109.7	V60 L90 Y91 Q92	D53-V60 PolarHBondContact N-O 2.96Å; D53-V60 PolarHBondContact O-N 2.74Å; D53-V60 VanDerWaalsContact O-O 3.13Å; D53-L90 HydrophobicContact CB-CB 4.23Å; D53-Y91 VanDerWaalsContact OD2-CA 3.23Å; D53-Y91 WeakPolarHBondContact OD2-CA 3.29Å; D53-Q92 PolarHBondContact OD2-N 3.45Å
54	S	92.4	Very high	88.9	Confident	7 Å²	7	33 Å²	33	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.5	177.9	63.1	0	0	0	0	112.7	A335	S54-A335 PolarHBondContact OG-N 2.73Å; S54-A335 PolarHBondContact OG-O 2.86Å; S54-A335 VanDerWaalsContact OG-O 3.09Å
55	G	88.1	Confident	89.4	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.8	166.7	172	0	0	0	0	0	112.5	G57 S58 E336	G55-G57 PolarHBondContact O-N 2.81Å; G55-S58 PolarHBondContact N-O 2.8Å; G55-S58 VanDerWaalsContact N-O 3.13Å; G55-S58 PolarHBondContact O-N 2.86Å; G55-S58 VanDerWaalsContact O-O 3.08Å; G55-E336 WeakPolarHBondContact CA-OE2 3.44Å; G55-E336 PolarHBondContact N-OE2 3.29Å
56	R	85.8	Confident	89.7	Confident	117 Å²	117	35 Å²	35	44%	0.442	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	31.3	175	-78.3	-81.9	-175.1	147.5	-11.8	113.5	K94 Q95 N97	R56-K94 PolarHBondContact NE-O 2.94Å; R56-K94 VanDerWaalsContact NE-O 3.08Å; R56-Q95 PolarHBondContact NH2-O 3.45Å; R56-N97 WeakPolarHBondContact CD-OD1 3.45Å; R56-N97 PolarHBondContact NH1-ND2 2.93Å; R56-N97 VanDerWaalsContact NH1-ND2 3.16Å; R56-N97 PolarHBondContact NH1-OD1 2.9Å
57	G	86.9	Confident	90.2	Very high	26 Å²	26	36 Å²	36	27%	0.268	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	19.2	178.4	0	0	0	0	0	114.8	G55 E336 W337	G55-G57 PolarHBondContact O-N 2.81Å; G57-E336 WeakPolarHBondContact CA-OE1 3.48Å; G57-E336 PolarHBondContact N-OE1 3.41Å; G57-W337 WeakPolarHBondContact O-CZ2 3.3Å; G57-W337 PolarHBondContact O-NE1 3.25Å
58	S	90.5	Very high	90.9	Very high	24 Å²	24	30.6 Å²	30.6	17%	0.168	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147	173.1	-58.4	0	0	0	0	111.5	G55 L71	G55-S58 PolarHBondContact N-O 2.8Å; G55-S58 VanDerWaalsContact N-O 3.13Å; G55-S58 PolarHBondContact O-N 2.86Å; G55-S58 VanDerWaalsContact O-O 3.08Å; S58-L71 WeakPolarHBondContact CA-O 3.38Å
59	L	92.9	Very high	91.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	135.9	163	-52.7	-179.7	0	0	0	108.2	F61 F70 L71 L334 E336 W337 Y341	L59-F61 HydrophobicContact CB-CE1 4.07Å; L59-F61 HydrophobicContact CB-CE2 4.02Å; L59-F61 HydrophobicContact CB-CZ 3.46Å; L59-F61 VanDerWaalsContact CB-CZ 3.46Å; L59-F61 HydrophobicContact CD1-CZ 4.15Å; L59-F61 HydrophobicContact CG-CZ 4.45Å; L59-F70 CarbonylContact O-C 3.36Å; L59-F70 WeakPolarHBondContact O-CA 3.2Å; L59-L71 HydrophobicContact CB-CB 4.29Å; L59-L71 HydrophobicContact CD1-CD2 4.3Å; L59-L71 PolarHBondContact N-O 2.88Å; L59-L71 PolarHBondContact O-N 3.5Å; L59-L334 HydrophobicContact CB-CD1 4.21Å; L59-L334 HydrophobicContact CD1-CD1 4.45Å; L59-L334 HydrophobicContact CD2-CB 3.94Å; L59-L334 HydrophobicContact CD2-CD1 3.97Å; L59-L334 HydrophobicContact CG-CD1 4.44Å; L59-E336 HydrophobicContact CD2-CB 3.6Å; L59-E336 HydrophobicContact CD2-CG 4.4Å; L59-W337 HydrophobicContact CD1-CH2 4.38Å; L59-W337 HydrophobicContact CG-CH2 4.12Å; L59-Y341 HydrophobicContact CD1-CD1 4.27Å; L59-Y341 HydrophobicContact CD1-CD2 4Å; L59-Y341 HydrophobicContact CD1-CG 3.78Å; L59-Y341 HydrophobicContact CD2-CD2 4.21Å
60	V	94.2	Very high	91.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.3	-175.7	-165.9	0	0	0	0	109.1	C52 D53 I68 W69 F70 L90 Q92 L99	C52-V60 CarbonylContact C-O 3.52Å; C52-V60 WeakPolarHBondContact CA-O 3.39Å; D53-V60 PolarHBondContact N-O 2.96Å; D53-V60 PolarHBondContact O-N 2.74Å; D53-V60 VanDerWaalsContact O-O 3.13Å; V60-I68 HydrophobicContact CG1-CG2 3.64Å; V60-W69 CarbonylContact C-O 3.57Å; V60-W69 VanDerWaalsContact CA-O 3.3Å; V60-W69 WeakPolarHBondContact CA-O 3.42Å; V60-F70 HydrophobicContact CB-CE1 4.49Å; V60-F70 HydrophobicContact CG1-CD1 4.18Å; V60-F70 HydrophobicContact CG1-CE1 3.87Å; V60-F70 HydrophobicContact CG1-CZ 4.15Å; V60-F70 HydrophobicContact CG2-CD1 3.76Å; V60-F70 HydrophobicContact CG2-CE1 3.77Å; V60-L90 HydrophobicContact CG1-CD1 3.97Å; V60-Q92 HydrophobicContact CG2-CB 4.47Å; V60-Q92 HydrophobicContact CG2-CG 4.42Å; V60-L99 HydrophobicContact CG1-CD1 4.47Å; V60-L99 HydrophobicContact CG1-CD2 4.15Å
61	F	94	Very high	91.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140	-177.8	-44	-70.1	0	0	0	110.2	L45 I49 C52 L59 I68 W69 L71 L77 L334 L343	L45-F61 HydrophobicContact CD1-CE1 4.23Å; L45-F61 HydrophobicContact CD1-CE2 4.22Å; L45-F61 HydrophobicContact CD1-CZ 4Å; L45-F61 HydrophobicContact CD2-CD2 4.11Å; L45-F61 HydrophobicContact CD2-CE2 3.7Å; L45-F61 HydrophobicContact CD2-CZ 4.24Å; I49-F61 HydrophobicContact CD1-CB 4.28Å; I49-F61 HydrophobicContact CD1-CD1 4.44Å; I49-F61 HydrophobicContact CD1-CG 4.3Å; I49-F61 HydrophobicContact CG1-CB 4.33Å; I49-F61 HydrophobicContact CG2-CB 4.3Å; C52-F61 HydrophobicContact CB-CD1 3.83Å; C52-F61 HydrophobicContact CB-CE1 4.24Å; L59-F61 HydrophobicContact CB-CE1 4.07Å; L59-F61 HydrophobicContact CB-CE2 4.02Å; L59-F61 HydrophobicContact CB-CZ 3.46Å; L59-F61 VanDerWaalsContact CB-CZ 3.46Å; L59-F61 HydrophobicContact CD1-CZ 4.15Å; L59-F61 HydrophobicContact CG-CZ 4.45Å; F61-I68 CarbonylContact O-C 3.49Å; F61-I68 VanDerWaalsContact O-CA 3.31Å; F61-I68 WeakPolarHBondContact O-CA 3.19Å; F61-W69 HydrophobicContact CB-CB 4.24Å; F61-W69 HydrophobicContact CD2-CB 4.19Å; F61-W69 PolarHBondContact N-O 2.89Å; F61-W69 PolarHBondContact O-N 3.28Å; F61-L71 HydrophobicContact CE2-CB 3.76Å; F61-L71 HydrophobicContact CE2-CD2 4.32Å; F61-L71 HydrophobicContact CZ-CB 4.46Å; F61-L71 HydrophobicContact CZ-CD2 4.49Å; F61-L77 HydrophobicContact CD2-CD1 4.4Å; F61-L77 HydrophobicContact CE2-CD1 4.42Å; F61-L334 HydrophobicContact CE1-CD1 3.74Å; F61-L334 HydrophobicContact CZ-CD1 4.49Å; F61-L343 HydrophobicContact CD1-CD2 3.92Å; F61-L343 HydrophobicContact CE1-CD1 4.39Å; F61-L343 HydrophobicContact CE1-CD2 3.4Å; F61-L343 HydrophobicContact CE1-CG 4.47Å; F61-L343 HydrophobicContact CZ-CD2 4.12Å
62	G	93.8	Very high	91.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.5	168.6	0	0	0	0	0	109.3	I49 T50 V51 Q67	I49-G62 CarbonylContact C-O 3.57Å; I49-G62 WeakPolarHBondContact CA-O 3.17Å; T50-G62 PolarHBondContact N-O 2.95Å; T50-G62 PolarHBondContact OG1-O 2.87Å; V51-G62 PolarHBondContact N-O 3.34Å; V51-G62 PolarHBondContact O-N 2.68Å; G62-Q67 WeakPolarHBondContact CA-O 3.28Å
63	D	92	Very high	91.4	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	174.6	179.5	66.8	24.3	0	0	0	113.9	G48 E65 G66 Q67 W69 V87	G48-D63 CarbonylContact O-C 3.52Å; G48-D63 WeakPolarHBondContact O-CA 3.49Å; D63-E65 PolarHBondContact O-N 2.94Å; D63-E65 WeakPolarHBondContact OD1-CA 3.2Å; D63-E65 PolarHBondContact OD1-N 3.23Å; D63-G66 PolarHBondContact O-N 3.33Å; D63-G66 PolarHBondContact OD1-N 3.44Å; D63-Q67 PolarHBondContact N-O 3.09Å; D63-Q67 VanDerWaalsContact N-O 3.16Å; D63-Q67 PolarHBondContact OD1-N 3.05Å; D63-Q67 WeakPolarHBondContact OD2-CB 3.42Å; D63-W69 PolarHBondContact OD2-NE1 2.8Å; D63-V87 PolarHBondContact O-N 2.67Å
64	M	90.8	Very high	91.1	Very high	111 Å²	111	39.5 Å²	39.5	55%	0.547	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-6.4	175.9	-73.6	-65.6	-165	0	0	114	G48 T50 L85	G48-M64 WeakPolarHBondContact O-CG 3.39Å; G48-M64 PolarHBondContact O-N 2.84Å; T50-M64 HydrophobicContact CG2-CB 4.28Å; T50-M64 HydrophobicContact CG2-CE 3.71Å; T50-M64 HydrophobicContact CG2-CG 3.44Å; T50-M64 VanDerWaalsContact CG2-CG 3.44Å; T50-M64 HydrophobicContact CG2-SD 3.23Å; T50-M64 WeakPolarHBondContact CG2-SD 3.3Å; M64-L85 CarbonylContact C-O 3.55Å
65	E	91.3	Very high	90.7	Very high	125 Å²	125	41.1 Å²	41.1	58%	0.584	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.7	0.8	-179	-65.7	171.5	-171.2	0	0	111.8	D63 Q81 L85	D63-E65 PolarHBondContact O-N 2.94Å; D63-E65 WeakPolarHBondContact OD1-CA 3.2Å; D63-E65 PolarHBondContact OD1-N 3.23Å; E65-Q81 PolarHBondContact O-NE2 3.24Å; E65-L85 CarbonylContact C-O 3.59Å; E65-L85 VanDerWaalsContact CA-O 3.26Å; E65-L85 WeakPolarHBondContact CA-O 3.44Å
66	G	91	Very high	90.6	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	86.6	12	175.5	0	0	0	0	0	114.2	D63 A82 Y83 L85	D63-G66 PolarHBondContact O-N 3.33Å; D63-G66 PolarHBondContact OD1-N 3.44Å; G66-A82 PolarHBondContact O-N 3.42Å; G66-Y83 PolarHBondContact O-N 3.45Å; G66-L85 PolarHBondContact N-O 3.29Å; G66-L85 VanDerWaalsContact N-O 3.11Å
67	Q	93.6	Very high	90.7	Very high	47 Å²	47	44 Å²	44	22%	0.22	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	147.8	174.9	-55.2	-173.5	2.4	0	0	111.8	G62 D63 F80 Q81 V87	G62-Q67 WeakPolarHBondContact CA-O 3.28Å; D63-Q67 PolarHBondContact N-O 3.09Å; D63-Q67 VanDerWaalsContact N-O 3.16Å; D63-Q67 PolarHBondContact OD1-N 3.05Å; D63-Q67 WeakPolarHBondContact OD2-CB 3.42Å; Q67-F80 WeakPolarHBondContact CA-O 3.31Å; Q67-Q81 VanDerWaalsContact CG-OE1 3.24Å; Q67-V87 WeakPolarHBondContact O-CG2 3.37Å
68	I	94.6	Very high	90.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.2	169.8	-63.4	176.1	0	0	0	108	V60 F61 F70 G79 F80 A82 V87 L90 L99	V60-I68 HydrophobicContact CG1-CG2 3.64Å; F61-I68 CarbonylContact O-C 3.49Å; F61-I68 VanDerWaalsContact O-CA 3.31Å; F61-I68 WeakPolarHBondContact O-CA 3.19Å; I68-F70 HydrophobicContact CG2-CE2 3.78Å; I68-F70 HydrophobicContact CG2-CZ 4.01Å; I68-G79 CarbonylContact O-C 3.59Å; I68-G79 WeakPolarHBondContact O-CA 2.99Å; I68-F80 HydrophobicContact CB-CD1 4.44Å; I68-F80 HydrophobicContact CB-CE1 3.99Å; I68-F80 HydrophobicContact CB-CZ 4.26Å; I68-F80 HydrophobicContact CD1-CZ 4.14Å; I68-F80 HydrophobicContact CG2-CE1 4.22Å; I68-F80 PolarHBondContact N-O 3.41Å; I68-F80 PolarHBondContact O-N 3.48Å; I68-A82 HydrophobicContact CB-CB 4.4Å; I68-A82 HydrophobicContact CD1-CB 3.39Å; I68-A82 HydrophobicContact CG1-CB 3.59Å; I68-V87 HydrophobicContact CG1-CG1 4.43Å; I68-V87 HydrophobicContact CG1-CG2 3.97Å; I68-L90 HydrophobicContact CD1-CD2 3.81Å; I68-L90 HydrophobicContact CG1-CD2 4.2Å; I68-L99 HydrophobicContact CD1-CD2 4.11Å; I68-L99 HydrophobicContact CG2-CD2 3.92Å
69	W	92.8	Very high	90.9	Very high	50 Å²	50	47 Å²	47	19%	0.189	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.4	179.8	-59.1	92.1	0	0	0	111.1	P46 V60 F61 D63 L77 T78	P46-W69 HydrophobicContact CB-CZ2 4.4Å; P46-W69 HydrophobicContact CG-CD2 3.94Å; P46-W69 HydrophobicContact CG-CG 4.3Å; P46-W69 HydrophobicContact CG-CH2 4.42Å; P46-W69 HydrophobicContact CG-CZ2 3.84Å; V60-W69 CarbonylContact C-O 3.57Å; V60-W69 VanDerWaalsContact CA-O 3.3Å; V60-W69 WeakPolarHBondContact CA-O 3.42Å; F61-W69 HydrophobicContact CB-CB 4.24Å; F61-W69 HydrophobicContact CD2-CB 4.19Å; F61-W69 PolarHBondContact N-O 2.89Å; F61-W69 PolarHBondContact O-N 3.28Å; D63-W69 PolarHBondContact OD2-NE1 2.8Å; W69-L77 HydrophobicContact CB-CD1 4.08Å; W69-L77 HydrophobicContact CB-CG 4.46Å; W69-L77 HydrophobicContact CD2-CD2 4.14Å; W69-L77 HydrophobicContact CD2-CG 4.42Å; W69-L77 HydrophobicContact CE3-CD2 3.64Å; W69-L77 HydrophobicContact CE3-CG 3.72Å; W69-L77 HydrophobicContact CZ3-CD2 4.04Å; W69-L77 HydrophobicContact CZ3-CG 4.34Å; W69-T78 CarbonylContact C-O 3.59Å; W69-T78 WeakPolarHBondContact CA-O 2.98Å
70	F	91.6	Very high	90.9	Very high	27 Å²	27	47.5 Å²	47.5	12%	0.118	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.7	172	-63.3	-95.9	0	0	0	109.2	L59 V60 I68 P72 T78 F80 L99 L118	L59-F70 CarbonylContact O-C 3.36Å; L59-F70 WeakPolarHBondContact O-CA 3.2Å; V60-F70 HydrophobicContact CB-CE1 4.49Å; V60-F70 HydrophobicContact CG1-CD1 4.18Å; V60-F70 HydrophobicContact CG1-CE1 3.87Å; V60-F70 HydrophobicContact CG1-CZ 4.15Å; V60-F70 HydrophobicContact CG2-CD1 3.76Å; V60-F70 HydrophobicContact CG2-CE1 3.77Å; I68-F70 HydrophobicContact CG2-CE2 3.78Å; I68-F70 HydrophobicContact CG2-CZ 4.01Å; F70-P72 WeakPolarHBondContact O-CD 3.37Å; F70-T78 PolarHBondContact N-O 2.88Å; F70-T78 PolarHBondContact O-N 2.86Å; F70-F80 AromaticContact CE2-CD1 4Å; F70-F80 HydrophobicContact CE2-CD1 4Å; F70-F80 AromaticContact CE2-CE1 3.68Å; F70-F80 HydrophobicContact CE2-CE1 3.68Å; F70-F80 HydrophobicContact CZ-CE1 4.26Å; F70-L99 HydrophobicContact CE1-CD2 4.36Å; F70-L99 HydrophobicContact CZ-CD2 3.81Å; F70-L118 HydrophobicContact CE1-CD1 3.97Å; F70-L118 HydrophobicContact CE1-CD2 4.25Å; F70-L118 HydrophobicContact CZ-CD1 4.36Å; F70-L118 HydrophobicContact CZ-CD2 3.79Å
71	L	91.8	Very high	90.8	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	93.5	169.5	-174.6	69.9	0	0	0	108.6	L43 S58 L59 F61 L77 W337	L43-L71 HydrophobicContact CD2-CD1 3.91Å; L43-L71 HydrophobicContact CD2-CD2 3.56Å; L43-L71 HydrophobicContact CD2-CG 4.38Å; S58-L71 WeakPolarHBondContact CA-O 3.38Å; L59-L71 HydrophobicContact CB-CB 4.29Å; L59-L71 HydrophobicContact CD1-CD2 4.3Å; L59-L71 PolarHBondContact N-O 2.88Å; L59-L71 PolarHBondContact O-N 3.5Å; F61-L71 HydrophobicContact CE2-CB 3.76Å; F61-L71 HydrophobicContact CE2-CD2 4.32Å; F61-L71 HydrophobicContact CZ-CB 4.46Å; F61-L71 HydrophobicContact CZ-CD2 4.49Å; L71-L77 HydrophobicContact CB-CD1 3.98Å; L71-L77 HydrophobicContact CD1-CB 4.4Å; L71-L77 HydrophobicContact CD1-CD1 4.13Å; L71-W337 WeakPolarHBondContact O-CH2 3.49Å; L71-W337 VanDerWaalsContact O-CZ2 3.29Å; L71-W337 WeakPolarHBondContact O-CZ2 3.26Å
72	P	90.6	Very high	90.7	Very high	33 Å²	33	52.1 Å²	52.1	21%	0.214	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	173.6	171.4	31.6	-35.6	0	0	0	111.4	F70 S74 L75 Q76	F70-P72 WeakPolarHBondContact O-CD 3.37Å; P72-S74 WeakPolarHBondContact CG-OG 3.46Å; P72-S74 PolarHBondContact O-N 2.9Å; P72-L75 PolarHBondContact O-N 3.37Å; P72-Q76 WeakPolarHBondContact CD-O 3.45Å
73	R	87.7	Confident	90.7	Very high	193 Å²	193	52.2 Å²	52.2	73%	0.728	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.8	-179.4	-166.6	174.8	179.6	179.3	1.6	114.2	L75 W337	R73-L75 PolarHBondContact O-N 3.18Å; R73-W337 HydrophobicContact CB-CD2 4.09Å; R73-W337 HydrophobicContact CB-CG 4.41Å; R73-W337 HydrophobicContact CB-CZ2 4.13Å; R73-W337 HydrophobicContact CG-CD2 4.07Å; R73-W337 HydrophobicContact CG-CE3 4.47Å; R73-W337 HydrophobicContact CG-CG 4.2Å
74	S	86.3	Confident	90.7	Very high	64 Å²	64	59.5 Å²	59.5	45%	0.448	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-6.9	173.7	58.1	0	0	0	0	113.5	P72 Q76	P72-S74 WeakPolarHBondContact CG-OG 3.46Å; P72-S74 PolarHBondContact O-N 2.9Å; S74-Q76 PolarHBondContact O-N 3.14Å
75	L	85.3	Confident	90.7	Very high	41 Å²	41	57.1 Å²	57.1	22%	0.215	28%	0.283	C	S	.	.			trans	60.1	21	-177.3	-55.3	177.3	0	0	0	113.7	V18 K19 P21 P72 R73 W337	V18-L75 HydrophobicContact CG1-CD1 3.76Å; V18-L75 HydrophobicContact CG1-CD2 3.88Å; V18-L75 HydrophobicContact CG1-CG 4.44Å; K19-L75 WeakPolarHBondContact O-CD1 3.16Å; P21-L75 HydrophobicContact CG-CB 4.31Å; P72-L75 PolarHBondContact O-N 3.37Å; R73-L75 PolarHBondContact O-N 3.18Å; L75-W337 HydrophobicContact CD2-CZ3 4.22Å
76	Q	86.3	Confident	90.8	Very high	126 Å²	126	55.7 Å²	55.7	59%	0.589	27%	0.273	S	S	*	.			trans	-94	109	173.6	-69.9	-178.6	-12.6	0	0	109.5	P72 S74 T78	P72-Q76 WeakPolarHBondContact CD-O 3.45Å; S74-Q76 PolarHBondContact O-N 3.14Å; Q76-T78 PolarHBondContact O-N 3.43Å
77	L	87.8	Confident	90.9	Very high	52 Å²	52	55.7 Å²	55.7	27%	0.272	27%	0.273	S	S	.	.			trans	-72.5	126.8	-179.3	-165.2	74.2	0	0	0	110.7	L45 P46 F61 W69 L71	L45-L77 HydrophobicContact CD2-CD1 4.06Å; P46-L77 HydrophobicContact CG-CD2 3.83Å; F61-L77 HydrophobicContact CD2-CD1 4.4Å; F61-L77 HydrophobicContact CE2-CD1 4.42Å; W69-L77 HydrophobicContact CB-CD1 4.08Å; W69-L77 HydrophobicContact CB-CG 4.46Å; W69-L77 HydrophobicContact CD2-CD2 4.14Å; W69-L77 HydrophobicContact CD2-CG 4.42Å; W69-L77 HydrophobicContact CE3-CD2 3.64Å; W69-L77 HydrophobicContact CE3-CG 3.72Å; W69-L77 HydrophobicContact CZ3-CD2 4.04Å; W69-L77 HydrophobicContact CZ3-CG 4.34Å; L71-L77 HydrophobicContact CB-CD1 3.98Å; L71-L77 HydrophobicContact CD1-CB 4.4Å; L71-L77 HydrophobicContact CD1-CD1 4.13Å
78	T	89.9	Confident	90.9	Very high	77 Å²	77	55.1 Å²	55.1	47%	0.472	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.1	175.5	59.1	0	0	0	0	109.9	W69 F70 Q76	W69-T78 CarbonylContact C-O 3.59Å; W69-T78 WeakPolarHBondContact CA-O 2.98Å; F70-T78 PolarHBondContact N-O 2.88Å; F70-T78 PolarHBondContact O-N 2.86Å; Q76-T78 PolarHBondContact O-N 3.43Å
79	G	90.7	Very high	90.9	Very high	36 Å²	36	56.7 Å²	56.7	37%	0.371	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	162.4	-179.2	0	0	0	0	0	113.4	I68	I68-G79 CarbonylContact O-C 3.59Å; I68-G79 WeakPolarHBondContact O-CA 2.99Å
80	F	93.1	Very high	91	Very high	11 Å²	11	54.9 Å²	54.9	5%	0.048	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.6	170.8	76.4	-88.2	0	0	0	111	Q67 I68 F70 A82 W116 N125 P126	Q67-F80 WeakPolarHBondContact CA-O 3.31Å; I68-F80 HydrophobicContact CB-CD1 4.44Å; I68-F80 HydrophobicContact CB-CE1 3.99Å; I68-F80 HydrophobicContact CB-CZ 4.26Å; I68-F80 HydrophobicContact CD1-CZ 4.14Å; I68-F80 HydrophobicContact CG2-CE1 4.22Å; I68-F80 PolarHBondContact N-O 3.41Å; I68-F80 PolarHBondContact O-N 3.48Å; F70-F80 AromaticContact CE2-CD1 4Å; F70-F80 HydrophobicContact CE2-CD1 4Å; F70-F80 AromaticContact CE2-CE1 3.68Å; F70-F80 HydrophobicContact CE2-CE1 3.68Å; F70-F80 HydrophobicContact CZ-CE1 4.26Å; F80-A82 HydrophobicContact CD2-CB 4.42Å; F80-A82 HydrophobicContact CE2-CB 3.78Å; F80-A82 HydrophobicContact CZ-CB 4.25Å; F80-A82 PolarHBondContact O-N 3.45Å; F80-W116 HydrophobicContact CE2-CD2 4.05Å; F80-W116 AromaticContact CE2-CE3 3.8Å; F80-W116 HydrophobicContact CE2-CE3 3.8Å; F80-W116 AromaticContact CE2-CH2 3.68Å; F80-W116 HydrophobicContact CE2-CH2 3.68Å; F80-W116 AromaticContact CE2-CZ2 3.91Å; F80-W116 HydrophobicContact CE2-CZ2 3.91Å; F80-W116 AromaticContact CE2-CZ3 3.6Å; F80-W116 HydrophobicContact CE2-CZ3 3.6Å; F80-W116 AromaticContact CZ-CD2 3.84Å; F80-W116 HydrophobicContact CZ-CD2 3.84Å; F80-W116 AromaticContact CZ-CE3 3.92Å; F80-W116 HydrophobicContact CZ-CE3 3.92Å; F80-W116 HydrophobicContact CZ-CG 4.3Å; F80-W116 HydrophobicContact CZ-CH2 4.43Å; F80-W116 HydrophobicContact CZ-CZ2 4.35Å; F80-W116 HydrophobicContact CZ-CZ3 4.2Å; F80-N125 HydrophobicContact CB-CB 4.45Å; F80-N125 WeakPolarHBondContact CB-OD1 3.26Å; F80-P126 HydrophobicContact CD1-CG 3.81Å; F80-P126 HydrophobicContact CE1-CB 4.37Å; F80-P126 HydrophobicContact CE1-CG 3.56Å; F80-P126 HydrophobicContact CG-CG 4.46Å; F80-P126 HydrophobicContact CZ-CB 4.4Å; F80-P126 HydrophobicContact CZ-CG 4.04Å
81	Q	92.7	Very high	91.1	Very high	93 Å²	93	56.3 Å²	56.3	44%	0.435	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	112.2	177.3	-164.7	75.6	35.5	0	0	110.3	E65 Q67 Y83	E65-Q81 PolarHBondContact O-NE2 3.24Å; Q67-Q81 VanDerWaalsContact CG-OE1 3.24Å; Q81-Y83 PolarHBondContact NE2-O 3.4Å
82	A	92.1	Very high	91.2	Very high	4 Å²	4	56.5 Å²	56.5	3%	0.033	28%	0.279	C	S	.	.			trans	-99.1	-34.8	-178.9	0	0	0	0	0	112.7	G66 I68 F80 K114 W116	G66-A82 PolarHBondContact O-N 3.42Å; I68-A82 HydrophobicContact CB-CB 4.4Å; I68-A82 HydrophobicContact CD1-CB 3.39Å; I68-A82 HydrophobicContact CG1-CB 3.59Å; F80-A82 HydrophobicContact CD2-CB 4.42Å; F80-A82 HydrophobicContact CE2-CB 3.78Å; F80-A82 HydrophobicContact CZ-CB 4.25Å; F80-A82 PolarHBondContact O-N 3.45Å; A82-K114 WeakPolarHBondContact O-CD 3.36Å; A82-K114 PolarHBondContact O-NZ 3.43Å; A82-W116 HydrophobicContact CB-CH2 4.36Å; A82-W116 HydrophobicContact CB-CZ2 3.72Å
83	Y	93.4	Very high	91.2	Very high	3 Å²	3	54.9 Å²	54.9	1%	0.012	27%	0.269	C	S	.	.			trans	-136.1	162.8	-178.5	-64.9	-90.6	0	0	0	110.7	G66 Q81 V87 S101 G103 D105 L112 K114	G66-Y83 PolarHBondContact O-N 3.45Å; Q81-Y83 PolarHBondContact NE2-O 3.4Å; Y83-V87 HydrophobicContact CD2-CG2 4Å; Y83-S101 WeakPolarHBondContact CE2-OG 3.47Å; Y83-S101 PolarHBondContact OH-O 3.13Å; Y83-S101 PolarHBondContact OH-OG 3.11Å; Y83-G103 VanDerWaalsContact CD1-C 3.49Å; Y83-G103 VanDerWaalsContact CE1-CA 3.47Å; Y83-G103 VanDerWaalsContact CZ-N 3.33Å; Y83-D105 WeakPolarHBondContact CA-OD1 3.13Å; Y83-D105 WeakPolarHBondContact CB-OD1 3.31Å; Y83-L112 HydrophobicContact CE1-CB 4.14Å; Y83-L112 WeakPolarHBondContact CE1-O 3.39Å; Y83-L112 PolarHBondContact OH-O 3.48Å; Y83-K114 HydrophobicContact CD1-CD 4.17Å; Y83-K114 HydrophobicContact CE1-CD 3.61Å; Y83-K114 HydrophobicContact CE1-CG 3.83Å; Y83-K114 HydrophobicContact CE2-CD 4.35Å; Y83-K114 WeakPolarHBondContact OH-CB 3.42Å; Y83-K114 WeakPolarHBondContact OH-CG 3.27Å; Y83-K114 PolarHBondContact OH-N 2.88Å
84	K	91.6	Very high	91.2	Very high	156 Å²	156	52.5 Å²	52.5	68%	0.678	26%	0.264	S	S	*	.	S	Bend	trans	-81.9	-30	178.8	-62.9	179.6	-176.5	170.6	0	113.7	D105	K84-D105 HydrophobicContact CB-CB 4.48Å; K84-D105 HydrophobicContact CD-CB 4.39Å; K84-D105 HydrophobicContact CG-CB 4.41Å; K84-D105 PolarHBondContact N-OD1 3.27Å
85	L	91.2	Very high	91.3	Very high	61 Å²	61	55.5 Å²	55.5	32%	0.319	27%	0.271	S	S	.	.	S	Bend	trans	-107.6	-75.1	-177.7	-61.9	175.8	0	0	0	111.5	M64 E65 G66 E104 E106 E107	M64-L85 CarbonylContact C-O 3.55Å; E65-L85 CarbonylContact C-O 3.59Å; E65-L85 VanDerWaalsContact CA-O 3.26Å; E65-L85 WeakPolarHBondContact CA-O 3.44Å; G66-L85 PolarHBondContact N-O 3.29Å; G66-L85 VanDerWaalsContact N-O 3.11Å; L85-E104 HydrophobicContact CB-CB 4.31Å; L85-E104 WeakPolarHBondContact CB-O 3.45Å; L85-E104 HydrophobicContact CD1-CB 4.39Å; L85-E104 PolarHBondContact N-O 3.42Å; L85-E106 VanDerWaalsContact CD1-O 3.31Å; L85-E106 WeakPolarHBondContact CD1-O 3.37Å; L85-E107 HydrophobicContact CD1-CG 4.34Å
86	R	92.4	Very high	91.5	Very high	95 Å²	95	56.7 Å²	56.7	36%	0.358	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	153.6	-175.9	63.3	179.9	177.8	-179.9	2.2	112.8	T88 G103 E104	R86-T88 HydrophobicContact CG-CG2 4.19Å; R86-G103 CarbonylContact O-C 3.56Å; R86-G103 WeakPolarHBondContact O-CA 3.44Å; R86-E104 HydrophobicContact CG-CB 4.46Å; R86-E104 IonicContact CZ-OE1 2.89Å; R86-E104 IonicContact CZ-OE2 3.1Å; R86-E104 VanDerWaalsContact CZ-OE2 3.29Å; R86-E104 VanDerWaalsContact NE-CD 3.33Å; R86-E104 IonicContact NE-OE1 3.19Å; R86-E104 PolarHBondContact NE-OE1 3.05Å; R86-E104 IonicContact NE-OE2 3.74Å; R86-E104 PolarHBondContact NE-OE2 2.74Å; R86-E104 IonicContact NH2-OE1 3.64Å; R86-E104 PolarHBondContact NH2-OE1 2.77Å; R86-E104 IonicContact NH2-OE2 2.68Å; R86-E104 PolarHBondContact NH2-OE2 2.89Å; R86-E104 VanDerWaalsContact NH2-OE2 3.13Å; R86-E104 PolarHBondContact O-N 2.79Å
87	V	94.2	Very high	91.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.6	166.8	-167.7	0	0	0	0	108.1	T50 V51 D63 Q67 I68 Y83 L90	T50-V87 WeakPolarHBondContact CB-O 3.42Å; T50-V87 PolarHBondContact OG1-O 2.67Å; V51-V87 HydrophobicContact CG1-CG1 4.03Å; D63-V87 PolarHBondContact O-N 2.67Å; Q67-V87 WeakPolarHBondContact O-CG2 3.37Å; I68-V87 HydrophobicContact CG1-CG1 4.43Å; I68-V87 HydrophobicContact CG1-CG2 3.97Å; Y83-V87 HydrophobicContact CD2-CG2 4Å; V87-L90 HydrophobicContact CG1-CD2 3.86Å; V87-L90 HydrophobicContact CG1-CG 4.05Å
88	T	92.4	Very high	91.9	Very high	34 Å²	34	50.8 Å²	50.8	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-38	-179.9	60.1	0	0	0	0	112.7	V51 R86 V102	V51-T88 WeakPolarHBondContact CB-O 3.37Å; R86-T88 HydrophobicContact CG-CG2 4.19Å; T88-V102 PolarHBondContact N-O 3.05Å; T88-V102 PolarHBondContact OG1-O 3.33Å; T88-V102 VanDerWaalsContact OG1-O 3.13Å
89	H	94.7	Very high	92.1	Very high	33 Å²	33	47.1 Å²	47.1	15%	0.153	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144.4	-179.2	-57	71.1	0	0	0	111.1	S101 V102 V143 S144 L146	H89-S101 CarbonylContact O-C 3.6Å; H89-S101 VanDerWaalsContact O-CA 3.29Å; H89-S101 WeakPolarHBondContact O-CA 3.4Å; H89-V102 HydrophobicContact CB-CB 3.98Å; H89-V102 HydrophobicContact CB-CG2 4.2Å; H89-V102 PolarHBondContact N-O 2.67Å; H89-V102 VanDerWaalsContact N-O 3.13Å; H89-V102 PolarHBondContact O-N 3.39Å; H89-V143 PolarHBondContact CE1-O 2.88Å; H89-S144 VanDerWaalsContact NE2-C 3.26Å; H89-S144 PolarHBondContact NE2-O 3.32Å; H89-L146 HydrophobicContact CB-CB 4.18Å; H89-L146 HydrophobicContact CB-CD2 4.37Å
90	L	95.3	Very high	92.3	Very high	12 Å²	12	45.4 Å²	45.4	6%	0.063	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	144.1	172.6	-68.9	175.1	0	0	0	109.1	V51 D53 V60 I68 V87 L99	V51-L90 HydrophobicContact CG1-CB 4.31Å; V51-L90 HydrophobicContact CG1-CD1 3.89Å; V51-L90 HydrophobicContact CG1-CG 3.7Å; V51-L90 HydrophobicContact CG2-CB 4.25Å; D53-L90 HydrophobicContact CB-CB 4.23Å; V60-L90 HydrophobicContact CG1-CD1 3.97Å; I68-L90 HydrophobicContact CD1-CD2 3.81Å; I68-L90 HydrophobicContact CG1-CD2 4.2Å; V87-L90 HydrophobicContact CG1-CD2 3.86Å; V87-L90 HydrophobicContact CG1-CG 4.05Å; L90-L99 HydrophobicContact CD2-CD1 4.23Å; L90-L99 HydrophobicContact CD2-CD2 4.34Å
91	Y	94.4	Very high	92.5	Very high	57 Å²	57	44.9 Å²	44.9	22%	0.224	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	103.1	170.2	-163.9	-82.8	0	0	0	109.6	D53 A100 V148	D53-Y91 VanDerWaalsContact OD2-CA 3.23Å; D53-Y91 WeakPolarHBondContact OD2-CA 3.29Å; Y91-A100 PolarHBondContact N-O 2.91Å; Y91-A100 PolarHBondContact O-N 3.3Å; Y91-V148 HydrophobicContact CD1-CB 3.62Å; Y91-V148 HydrophobicContact CD1-CG2 3.79Å; Y91-V148 HydrophobicContact CE1-CB 3.74Å; Y91-V148 HydrophobicContact CE1-CG2 4.39Å; Y91-V148 WeakPolarHBondContact CE1-O 3.01Å; Y91-V148 HydrophobicContact CG-CB 4.41Å; Y91-V148 HydrophobicContact CG-CG2 4.18Å; Y91-V148 PolarHBondContact OH-O 2.83Å
92	Q	93.3	Very high	92.6	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.023	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.7	177.7	179.2	56.7	52.3	0	0	109.3	D53 V60 I98 L99	D53-Q92 PolarHBondContact OD2-N 3.45Å; V60-Q92 HydrophobicContact CG2-CB 4.47Å; V60-Q92 HydrophobicContact CG2-CG 4.42Å; Q92-I98 PolarHBondContact NE2-O 3.36Å; Q92-L99 HydrophobicContact CB-CD1 4.05Å
93	L	91.2	Very high	92.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.183	C	C	.	.			trans	-67.7	140.8	174.2	-75.5	107	0	0	0	110.7	H96 I98 V148 L152 I171	L93-H96 HydrophobicContact CB-CB 4.25Å; L93-H96 VanDerWaalsContact O-O 3.12Å; L93-I98 HydrophobicContact CD1-CB 3.92Å; L93-I98 HydrophobicContact CD1-CG2 3.82Å; L93-I98 WeakPolarHBondContact CD1-O 3.49Å; L93-I98 PolarHBondContact N-O 2.86Å; L93-V148 HydrophobicContact CD1-CB 4.48Å; L93-V148 HydrophobicContact CD1-CG1 4.12Å; L93-V148 HydrophobicContact CD2-CG1 4.15Å; L93-V148 HydrophobicContact CG-CG1 4.4Å; L93-L152 HydrophobicContact CD1-CD2 4.31Å; L93-L152 HydrophobicContact CD2-CD2 3.56Å; L93-I171 HydrophobicContact CD1-CD1 4.5Å
94	K	87.9	Confident	92.6	Very high	143 Å²	143	41.2 Å²	41.2	62%	0.622	19%	0.188	S	C	*	.	S	Bend	trans	-84.7	-37.6	-179.5	-59.5	178.6	-179.1	178.8	0	110.5	R56 E150	R56-K94 PolarHBondContact NE-O 2.94Å; R56-K94 VanDerWaalsContact NE-O 3.08Å; K94-E150 WeakPolarHBondContact CB-OE1 3.35Å; K94-E150 PolarHBondContact N-OE1 2.99Å; K94-E150 PolarHBondContact N-OE2 2.83Å
95	Q	87.9	Confident	92.5	Very high	127 Å²	127	35.3 Å²	35.3	59%	0.593	16%	0.164	S	C	*	.	S	Bend	trans	-90.5	-10.9	-177.8	-60.8	-173.8	-2.4	0	0	114.4	R56 E150	R56-Q95 PolarHBondContact NH2-O 3.45Å; Q95-E150 VanDerWaalsContact CB-OE2 3.29Å; Q95-E150 WeakPolarHBondContact CB-OE2 3.44Å; Q95-E150 HydrophobicContact CG-CB 4.37Å; Q95-E150 HydrophobicContact CG-CG 4.36Å; Q95-E150 PolarHBondContact N-OE2 3.11Å
96	H	88.8	Confident	92.4	Very high	66 Å²	66	38.2 Å²	38.2	31%	0.306	18%	0.175	S	C	.	.	S	Bend	trans	-132.6	147.9	-179.4	-65.8	-75.1	0	0	0	111.6	L93 I98 E150 L152	L93-H96 HydrophobicContact CB-CB 4.25Å; L93-H96 VanDerWaalsContact O-O 3.12Å; H96-I98 HydrophobicContact CB-CB 4.44Å; H96-I98 HydrophobicContact CB-CD1 4.08Å; H96-I98 HydrophobicContact CB-CG1 4.34Å; H96-I98 PolarHBondContact O-N 2.9Å; H96-E150 PolarHBondContact CD2-O 3.43Å; H96-E150 PolarHBondContact NE2-O 2.6Å; H96-L152 HydrophobicContact CB-CD2 4.44Å
97	N	90.3	Very high	92	Very high	41 Å²	41	42.5 Å²	42.5	22%	0.219	20%	0.199	C	C	.	.	S	Bend	trans	-78.4	50.5	174.5	-78.3	-26.2	0	0	0	111.6	R56 L118 E119	R56-N97 WeakPolarHBondContact CD-OD1 3.45Å; R56-N97 PolarHBondContact NH1-ND2 2.93Å; R56-N97 VanDerWaalsContact NH1-ND2 3.16Å; R56-N97 PolarHBondContact NH1-OD1 2.9Å; N97-L118 HydrophobicContact CB-CB 4.44Å; N97-L118 PolarHBondContact O-N 2.89Å; N97-E119 HydrophobicContact CB-CG 3.67Å; N97-E119 VanDerWaalsContact ND2-CG 3.3Å; N97-E119 WeakPolarHBondContact ND2-CG 3.26Å; N97-E119 PolarHBondContact ND2-OE1 2.83Å
98	I	92.6	Very high	91.5	Very high	12 Å²	12	45 Å²	45	6%	0.062	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.8	-177.8	-65.7	164	0	0	0	108.1	Q92 L93 H96 I115 W116 L152 T172	Q92-I98 PolarHBondContact NE2-O 3.36Å; L93-I98 HydrophobicContact CD1-CB 3.92Å; L93-I98 HydrophobicContact CD1-CG2 3.82Å; L93-I98 WeakPolarHBondContact CD1-O 3.49Å; L93-I98 PolarHBondContact N-O 2.86Å; H96-I98 HydrophobicContact CB-CB 4.44Å; H96-I98 HydrophobicContact CB-CD1 4.08Å; H96-I98 HydrophobicContact CB-CG1 4.34Å; H96-I98 PolarHBondContact O-N 2.9Å; I98-I115 HydrophobicContact CG2-CG2 3.6Å; I98-W116 CarbonylContact C-O 3.51Å; I98-W116 VanDerWaalsContact CA-O 3.27Å; I98-W116 WeakPolarHBondContact CA-O 3.41Å; I98-L152 HydrophobicContact CD1-CD1 3.8Å; I98-L152 HydrophobicContact CD1-CD2 3.75Å; I98-L152 HydrophobicContact CD1-CG 4.47Å; I98-T172 HydrophobicContact CD1-CG2 3.49Å; I98-T172 VanDerWaalsContact CD1-CG2 3.49Å; I98-T172 HydrophobicContact CG1-CG2 4.42Å
99	L	94.3	Very high	91.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.5	173.5	174.8	65.2	0	0	0	108.7	V60 I68 F70 L90 Q92 W116 L118	V60-L99 HydrophobicContact CG1-CD1 4.47Å; V60-L99 HydrophobicContact CG1-CD2 4.15Å; I68-L99 HydrophobicContact CD1-CD2 4.11Å; I68-L99 HydrophobicContact CG2-CD2 3.92Å; F70-L99 HydrophobicContact CE1-CD2 4.36Å; F70-L99 HydrophobicContact CZ-CD2 3.81Å; L90-L99 HydrophobicContact CD2-CD1 4.23Å; L90-L99 HydrophobicContact CD2-CD2 4.34Å; Q92-L99 HydrophobicContact CB-CD1 4.05Å; L99-W116 HydrophobicContact CB-CB 4.25Å; L99-W116 PolarHBondContact N-O 2.82Å; L99-W116 PolarHBondContact O-N 3.09Å; L99-L118 HydrophobicContact CB-CD1 4.38Å; L99-L118 HydrophobicContact CB-CD2 4.26Å; L99-L118 HydrophobicContact CB-CG 4.46Å
100	A	95	Very high	90.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.9	167.3	0	0	0	0	0	109	Y91 I115 L146 V148 M155	Y91-A100 PolarHBondContact N-O 2.91Å; Y91-A100 PolarHBondContact O-N 3.3Å; A100-I115 HydrophobicContact CB-CD1 3.68Å; A100-L146 HydrophobicContact CB-CD2 4.18Å; A100-V148 HydrophobicContact CB-CG2 3.89Å; A100-M155 HydrophobicContact CB-CE 4.1Å
101	S	95.8	Very high	90.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151.5	178.2	62.1	0	0	0	0	110	Y83 H89 V113 K114 W116	Y83-S101 WeakPolarHBondContact CE2-OG 3.47Å; Y83-S101 PolarHBondContact OH-O 3.13Å; Y83-S101 PolarHBondContact OH-OG 3.11Å; H89-S101 CarbonylContact O-C 3.6Å; H89-S101 VanDerWaalsContact O-CA 3.29Å; H89-S101 WeakPolarHBondContact O-CA 3.4Å; S101-V113 WeakPolarHBondContact O-CA 3.38Å; S101-K114 PolarHBondContact N-O 3.46Å; S101-K114 PolarHBondContact O-N 2.73Å; S101-K114 PolarHBondContact OG-O 3.24Å; S101-K114 VanDerWaalsContact OG-O 3.08Å; S101-W116 PolarHBondContact OG-NE1 2.9Å
102	V	95.5	Very high	90.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137	167.9	-175.6	0	0	0	0	108.2	T88 H89 P111 L112 V113 V143 L146	T88-V102 PolarHBondContact N-O 3.05Å; T88-V102 PolarHBondContact OG1-O 3.33Å; T88-V102 VanDerWaalsContact OG1-O 3.13Å; H89-V102 HydrophobicContact CB-CB 3.98Å; H89-V102 HydrophobicContact CB-CG2 4.2Å; H89-V102 PolarHBondContact N-O 2.67Å; H89-V102 VanDerWaalsContact N-O 3.13Å; H89-V102 PolarHBondContact O-N 3.39Å; V102-P111 HydrophobicContact CG1-CB 3.95Å; V102-L112 VanDerWaalsContact CA-O 3.29Å; V102-L112 WeakPolarHBondContact CA-O 3.45Å; V102-V113 HydrophobicContact CG2-CG2 3.99Å; V102-V143 HydrophobicContact CG1-CB 4.34Å; V102-V143 HydrophobicContact CG1-CG2 4.12Å; V102-L146 HydrophobicContact CG2-CD2 4.11Å
103	G	93.9	Very high	90.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	-175.9	178	0	0	0	0	0	112	Y83 R86 L112	Y83-G103 VanDerWaalsContact CD1-C 3.49Å; Y83-G103 VanDerWaalsContact CE1-CA 3.47Å; Y83-G103 VanDerWaalsContact CZ-N 3.33Å; R86-G103 CarbonylContact O-C 3.56Å; R86-G103 WeakPolarHBondContact O-CA 3.44Å; G103-L112 PolarHBondContact N-O 2.84Å; G103-L112 PolarHBondContact O-N 3.4Å
104	E	92.3	Very high	90.6	Very high	24 Å²	24	47 Å²	47	11%	0.112	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131	-176.1	-67.9	166.8	-173.2	0	0	109.7	L85 R86	L85-E104 HydrophobicContact CB-CB 4.31Å; L85-E104 WeakPolarHBondContact CB-O 3.45Å; L85-E104 HydrophobicContact CD1-CB 4.39Å; L85-E104 PolarHBondContact N-O 3.42Å; R86-E104 HydrophobicContact CG-CB 4.46Å; R86-E104 IonicContact CZ-OE1 2.89Å; R86-E104 IonicContact CZ-OE2 3.1Å; R86-E104 VanDerWaalsContact CZ-OE2 3.29Å; R86-E104 VanDerWaalsContact NE-CD 3.33Å; R86-E104 IonicContact NE-OE1 3.19Å; R86-E104 PolarHBondContact NE-OE1 3.05Å; R86-E104 IonicContact NE-OE2 3.74Å; R86-E104 PolarHBondContact NE-OE2 2.74Å; R86-E104 IonicContact NH2-OE1 3.64Å; R86-E104 PolarHBondContact NH2-OE1 2.77Å; R86-E104 IonicContact NH2-OE2 2.68Å; R86-E104 PolarHBondContact NH2-OE2 2.89Å; R86-E104 VanDerWaalsContact NH2-OE2 3.13Å; R86-E104 PolarHBondContact O-N 2.79Å
105	D	89.9	Confident	90.9	Very high	32 Å²	32	40.2 Å²	40.2	17%	0.171	21%	0.209	C	C	.	.	S	Bend	trans	-107.1	-15.2	175.1	-77.4	-24.1	0	0	0	112.9	Y83 K84 L112 K114	Y83-D105 WeakPolarHBondContact CA-OD1 3.13Å; Y83-D105 WeakPolarHBondContact CB-OD1 3.31Å; K84-D105 HydrophobicContact CB-CB 4.48Å; K84-D105 HydrophobicContact CD-CB 4.39Å; K84-D105 HydrophobicContact CG-CB 4.41Å; K84-D105 PolarHBondContact N-OD1 3.27Å; D105-L112 HydrophobicContact CB-CD1 3.87Å; D105-L112 WeakPolarHBondContact OD2-CD1 3.4Å; D105-K114 IonicContact OD1-NZ 3.96Å; D105-K114 PolarHBondContact OD1-NZ 2.77Å; D105-K114 WeakPolarHBondContact OD2-CE 3.43Å; D105-K114 IonicContact OD2-NZ 3.22Å; D105-K114 PolarHBondContact OD2-NZ 2.6Å
106	E	88.9	Confident	91.2	Very high	121 Å²	121	35.1 Å²	35.1	57%	0.565	18%	0.184	S	C	*	.	S	Bend	trans	-134.8	151.3	-175.9	-65.4	179.3	169.4	0	0	110.3	L85	L85-E106 VanDerWaalsContact CD1-O 3.31Å; L85-E106 WeakPolarHBondContact CD1-O 3.37Å
107	E	82.9	Confident	91.3	Very high	185 Å²	185	33.2 Å²	33.2	86%	0.864	18%	0.177	S	C	*	.	S	Bend	trans	-68.1	131.4	177.1	-66.1	-176.6	177.7	0	0	110.8	L85	L85-E107 HydrophobicContact CD1-CG 4.34Å
108	G	84.4	Confident	91.2	Very high	53 Å²	53	33.1 Å²	33.1	55%	0.546	18%	0.176	S	C	.	.	S	Bend	trans	116.2	-177.8	-174.2	0	0	0	0	0	112.2	N110	G108-N110 PolarHBondContact O-N 3.43Å
109	I	83.3	Confident	90.9	Very high	87 Å²	87	38.9 Å²	38.9	45%	0.446	20%	0.202	S	C	.	.	S	Bend	trans	-85.6	96.3	178	-57	172.4	0	0	0	107.5	P140 V142	I109-P140 HydrophobicContact CG2-CB 4.29Å; I109-P140 WeakPolarHBondContact O-CB 3.43Å; I109-V142 HydrophobicContact CD1-CG2 4.04Å; I109-V142 HydrophobicContact CG1-CG2 4.17Å; I109-V142 HydrophobicContact CG2-CG2 3.97Å
110	N	87.2	Confident	90.5	Very high	45 Å²	45	44.8 Å²	44.8	24%	0.241	23%	0.228	C	C	.	.			trans	-143.7	74.5	174.2	-170.7	11.6	0	0	0	110.7	G108 L112	G108-N110 PolarHBondContact O-N 3.43Å; N110-L112 PolarHBondContact O-N 3.16Å
111	P	90.5	Very high	90	Very high	6 Å²	6	53.5 Å²	53.5	4%	0.039	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	122.1	-177.7	29.8	-36	0	0	0	110.9	V102 A134 V143	V102-P111 HydrophobicContact CG1-CB 3.95Å; P111-A134 HydrophobicContact CB-CB 4.27Å; P111-A134 HydrophobicContact CG-CB 4.15Å; P111-A134 VanDerWaalsContact CG-O 3.26Å; P111-A134 WeakPolarHBondContact CG-O 3.4Å; P111-A134 PolarHBondContact O-N 3.5Å; P111-V143 HydrophobicContact CB-CG2 3.74Å; P111-V143 HydrophobicContact CG-CG2 3.99Å
112	L	93.2	Very high	89.1	Confident	29 Å²	29	59.1 Å²	59.1	15%	0.152	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.4	176.2	-67.7	175	0	0	0	110.1	Y83 V102 G103 D105 N110 P133	Y83-L112 HydrophobicContact CE1-CB 4.14Å; Y83-L112 WeakPolarHBondContact CE1-O 3.39Å; Y83-L112 PolarHBondContact OH-O 3.48Å; V102-L112 VanDerWaalsContact CA-O 3.29Å; V102-L112 WeakPolarHBondContact CA-O 3.45Å; G103-L112 PolarHBondContact N-O 2.84Å; G103-L112 PolarHBondContact O-N 3.4Å; D105-L112 HydrophobicContact CB-CD1 3.87Å; D105-L112 WeakPolarHBondContact OD2-CD1 3.4Å; N110-L112 PolarHBondContact O-N 3.16Å; L112-P133 HydrophobicContact CD2-CB 4.27Å
113	V	94	Very high	87.9	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124	172.1	-178	0	0	0	0	108.4	S101 V102 I115 I131 F132 A134 M155 I157	S101-V113 WeakPolarHBondContact O-CA 3.38Å; V102-V113 HydrophobicContact CG2-CG2 3.99Å; V113-I115 HydrophobicContact CG1-CD1 3.85Å; V113-I131 WeakPolarHBondContact O-CA 3.12Å; V113-F132 HydrophobicContact CB-CD1 4.33Å; V113-F132 HydrophobicContact CB-CD2 4.28Å; V113-F132 HydrophobicContact CB-CE1 3.92Å; V113-F132 HydrophobicContact CB-CE2 3.86Å; V113-F132 HydrophobicContact CB-CG 4.5Å; V113-F132 HydrophobicContact CB-CZ 3.67Å; V113-F132 HydrophobicContact CG1-CE1 3.75Å; V113-F132 HydrophobicContact CG1-CE2 4.24Å; V113-F132 HydrophobicContact CG1-CZ 3.57Å; V113-F132 HydrophobicContact CG2-CD2 4.43Å; V113-F132 HydrophobicContact CG2-CE2 3.85Å; V113-F132 HydrophobicContact CG2-CZ 4.02Å; V113-F132 PolarHBondContact N-O 2.87Å; V113-F132 PolarHBondContact O-N 2.99Å; V113-F132 VanDerWaalsContact O-N 3.09Å; V113-A134 HydrophobicContact CG2-CB 3.71Å; V113-M155 HydrophobicContact CG1-SD 4.29Å; V113-I157 HydrophobicContact CG2-CD1 3.72Å
114	K	94.4	Very high	87	Confident	16 Å²	16	65.1 Å²	65.1	7%	0.07	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.5	172.6	-60.5	-177.9	-176	169.8	0	110.3	A82 Y83 S101 D105 W116 R130 I131	A82-K114 WeakPolarHBondContact O-CD 3.36Å; A82-K114 PolarHBondContact O-NZ 3.43Å; Y83-K114 HydrophobicContact CD1-CD 4.17Å; Y83-K114 HydrophobicContact CE1-CD 3.61Å; Y83-K114 HydrophobicContact CE1-CG 3.83Å; Y83-K114 HydrophobicContact CE2-CD 4.35Å; Y83-K114 WeakPolarHBondContact OH-CB 3.42Å; Y83-K114 WeakPolarHBondContact OH-CG 3.27Å; Y83-K114 PolarHBondContact OH-N 2.88Å; S101-K114 PolarHBondContact N-O 3.46Å; S101-K114 PolarHBondContact O-N 2.73Å; S101-K114 PolarHBondContact OG-O 3.24Å; S101-K114 VanDerWaalsContact OG-O 3.08Å; D105-K114 IonicContact OD1-NZ 3.96Å; D105-K114 PolarHBondContact OD1-NZ 2.77Å; D105-K114 WeakPolarHBondContact OD2-CE 3.43Å; D105-K114 IonicContact OD2-NZ 3.22Å; D105-K114 PolarHBondContact OD2-NZ 2.6Å; K114-W116 HydrophobicContact CB-CZ2 3.81Å; K114-W116 HydrophobicContact CD-CH2 4.2Å; K114-W116 HydrophobicContact CD-CZ2 3.59Å; K114-W116 HydrophobicContact CG-CZ2 4.31Å; K114-R130 WeakPolarHBondContact CA-O 3.17Å; K114-I131 HydrophobicContact CD-CD1 4.41Å; K114-I131 HydrophobicContact CG-CD1 4.41Å; K114-I131 HydrophobicContact CG-CG1 4.06Å; K114-I131 HydrophobicContact CG-CG2 4.1Å
115	I	93.9	Very high	86.7	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.1	178.3	-50.7	-56.4	0	0	0	109.4	I98 A100 V113 T129 R130 M155 T172	I98-I115 HydrophobicContact CG2-CG2 3.6Å; A100-I115 HydrophobicContact CB-CD1 3.68Å; V113-I115 HydrophobicContact CG1-CD1 3.85Å; I115-T129 PolarHBondContact O-N 2.84Å; I115-T129 PolarHBondContact O-OG1 2.53Å; I115-R130 HydrophobicContact CB-CB 4.2Å; I115-R130 HydrophobicContact CG1-CB 4.22Å; I115-R130 PolarHBondContact N-O 2.95Å; I115-M155 HydrophobicContact CD1-CE 3.4Å; I115-M155 HydrophobicContact CG1-CE 4.47Å; I115-T172 HydrophobicContact CG2-CG2 4.46Å
116	W	93.5	Very high	86.7	Confident	20 Å²	20	66.9 Å²	66.9	8%	0.076	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.5	-175.1	-52.4	93.7	0	0	0	110.5	F80 A82 I98 L99 S101 K114 L118 P126 L127 C128	F80-W116 HydrophobicContact CE2-CD2 4.05Å; F80-W116 AromaticContact CE2-CE3 3.8Å; F80-W116 HydrophobicContact CE2-CE3 3.8Å; F80-W116 AromaticContact CE2-CH2 3.68Å; F80-W116 HydrophobicContact CE2-CH2 3.68Å; F80-W116 AromaticContact CE2-CZ2 3.91Å; F80-W116 HydrophobicContact CE2-CZ2 3.91Å; F80-W116 AromaticContact CE2-CZ3 3.6Å; F80-W116 HydrophobicContact CE2-CZ3 3.6Å; F80-W116 AromaticContact CZ-CD2 3.84Å; F80-W116 HydrophobicContact CZ-CD2 3.84Å; F80-W116 AromaticContact CZ-CE3 3.92Å; F80-W116 HydrophobicContact CZ-CE3 3.92Å; F80-W116 HydrophobicContact CZ-CG 4.3Å; F80-W116 HydrophobicContact CZ-CH2 4.43Å; F80-W116 HydrophobicContact CZ-CZ2 4.35Å; F80-W116 HydrophobicContact CZ-CZ3 4.2Å; A82-W116 HydrophobicContact CB-CH2 4.36Å; A82-W116 HydrophobicContact CB-CZ2 3.72Å; I98-W116 CarbonylContact C-O 3.51Å; I98-W116 VanDerWaalsContact CA-O 3.27Å; I98-W116 WeakPolarHBondContact CA-O 3.41Å; L99-W116 HydrophobicContact CB-CB 4.25Å; L99-W116 PolarHBondContact N-O 2.82Å; L99-W116 PolarHBondContact O-N 3.09Å; S101-W116 PolarHBondContact OG-NE1 2.9Å; K114-W116 HydrophobicContact CB-CZ2 3.81Å; K114-W116 HydrophobicContact CD-CH2 4.2Å; K114-W116 HydrophobicContact CD-CZ2 3.59Å; K114-W116 HydrophobicContact CG-CZ2 4.31Å; W116-L118 HydrophobicContact CB-CD2 4.39Å; W116-P126 HydrophobicContact CB-CB 4.47Å; W116-P126 HydrophobicContact CE3-CB 4.43Å; W116-L127 WeakPolarHBondContact CA-O 3.38Å; W116-C128 HydrophobicContact CD2-CB 4.44Å; W116-C128 HydrophobicContact CE3-CB 3.72Å; W116-C128 HydrophobicContact CH2-CB 4.08Å; W116-C128 HydrophobicContact CZ3-CB 3.53Å
117	N	91.5	Very high	86.8	Confident	27 Å²	27	63.9 Å²	63.9	14%	0.144	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.6	166.6	-177.6	-37.5	0	0	0	108.3	E119 K120 L127 T129	N117-E119 WeakPolarHBondContact OD1-CB 3.39Å; N117-E119 PolarHBondContact OD1-N 2.85Å; N117-K120 PolarHBondContact OD1-N 3.36Å; N117-L127 PolarHBondContact N-O 2.82Å; N117-L127 PolarHBondContact O-N 2.96Å; N117-T129 HydrophobicContact CB-CG2 3.66Å
118	L	88.6	Confident	87.1	Confident	38 Å²	38	56.9 Å²	56.9	20%	0.199	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-16.1	-174	-55.8	179.8	0	0	0	113.3	F70 N97 L99 W116 P126	F70-L118 HydrophobicContact CE1-CD1 3.97Å; F70-L118 HydrophobicContact CE1-CD2 4.25Å; F70-L118 HydrophobicContact CZ-CD1 4.36Å; F70-L118 HydrophobicContact CZ-CD2 3.79Å; N97-L118 HydrophobicContact CB-CB 4.44Å; N97-L118 PolarHBondContact O-N 2.89Å; L99-L118 HydrophobicContact CB-CD1 4.38Å; L99-L118 HydrophobicContact CB-CD2 4.26Å; L99-L118 HydrophobicContact CB-CG 4.46Å; W116-L118 HydrophobicContact CB-CD2 4.39Å; L118-P126 HydrophobicContact CD2-CB 3.89Å; L118-P126 HydrophobicContact CD2-CG 3.97Å
119	E	86.6	Confident	87.4	Confident	134 Å²	134	56.7 Å²	56.7	63%	0.626	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	-40.4	176.1	-69.3	175.7	178.1	0	0	111.8	N97 N117	N97-E119 HydrophobicContact CB-CG 3.67Å; N97-E119 VanDerWaalsContact ND2-CG 3.3Å; N97-E119 WeakPolarHBondContact ND2-CG 3.26Å; N97-E119 PolarHBondContact ND2-OE1 2.83Å; N117-E119 WeakPolarHBondContact OD1-CB 3.39Å; N117-E119 PolarHBondContact OD1-N 2.85Å
120	K	85.8	Confident	87.6	Confident	124 Å²	124	53.6 Å²	53.6	54%	0.539	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.4	-179.6	-64.7	-176.7	-179.4	-177.5	0	108.8	N117 L127	N117-K120 PolarHBondContact OD1-N 3.36Å; K120-L127 HydrophobicContact CB-CB 3.84Å; K120-L127 HydrophobicContact CB-CD2 3.8Å; K120-L127 HydrophobicContact CB-CG 4.49Å; K120-L127 HydrophobicContact CD-CD2 3.81Å; K120-L127 HydrophobicContact CG-CD2 4.47Å; K120-L127 VanDerWaalsContact O-CB 3.31Å; K120-L127 WeakPolarHBondContact O-CB 3.39Å; K120-L127 PolarHBondContact O-N 2.91Å
121	R	84.1	Confident	87.8	Confident	183 Å²	183	56 Å²	56	69%	0.691	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.1	176.4	-64.8	-173.6	177.3	-138.5	6.2	110.8	G124 N125	R121-G124 PolarHBondContact NH1-O 2.81Å; R121-N125 CarbonylContact C-O 3.46Å; R121-N125 WeakPolarHBondContact CA-O 3.1Å
122	D	76.6	Confident	87.8	Confident	118 Å²	118	56.8 Å²	56.8	63%	0.631	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.8	171.7	-171.1	14.7	0	0	0	108.4	G124 N125 L127	D122-G124 PolarHBondContact O-N 3.34Å; D122-G124 VanDerWaalsContact O-N 3.09Å; D122-N125 PolarHBondContact N-O 3.34Å; D122-N125 PolarHBondContact O-N 3.02Å; D122-L127 HydrophobicContact CB-CD1 4.36Å
123	G	70.8	Confident	87.7	Confident	81 Å²	81	58.8 Å²	58.8	84%	0.835	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	24.9	-176	0	0	0	0	0	115.4	N125	G123-N125 VanDerWaalsContact C-N 3.35Å
124	G	75.1	Confident	87.4	Confident	45 Å²	45	58.9 Å²	58.9	46%	0.464	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	-17.7	-176.4	0	0	0	0	0	115	R121 D122	R121-G124 PolarHBondContact NH1-O 2.81Å; D122-G124 PolarHBondContact O-N 3.34Å; D122-G124 VanDerWaalsContact O-N 3.09Å
125	N	85.9	Confident	87	Confident	78 Å²	78	60.6 Å²	60.6	42%	0.417	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	156.6	178.2	-65.9	-25.2	0	0	0	111.6	F80 R121 D122 G123	F80-N125 HydrophobicContact CB-CB 4.45Å; F80-N125 WeakPolarHBondContact CB-OD1 3.26Å; R121-N125 CarbonylContact C-O 3.46Å; R121-N125 WeakPolarHBondContact CA-O 3.1Å; D122-N125 PolarHBondContact N-O 3.34Å; D122-N125 PolarHBondContact O-N 3.02Å; G123-N125 VanDerWaalsContact C-N 3.35Å
126	P	89	Confident	86.4	Confident	15 Å²	15	61.2 Å²	61.2	10%	0.097	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	141.7	172.8	-25.1	37.2	0	0	0	112.9	F80 W116 L118 C128	F80-P126 HydrophobicContact CD1-CG 3.81Å; F80-P126 HydrophobicContact CE1-CB 4.37Å; F80-P126 HydrophobicContact CE1-CG 3.56Å; F80-P126 HydrophobicContact CG-CG 4.46Å; F80-P126 HydrophobicContact CZ-CB 4.4Å; F80-P126 HydrophobicContact CZ-CG 4.04Å; W116-P126 HydrophobicContact CB-CB 4.47Å; W116-P126 HydrophobicContact CE3-CB 4.43Å; L118-P126 HydrophobicContact CD2-CB 3.89Å; L118-P126 HydrophobicContact CD2-CG 3.97Å; P126-C128 PolarHBondContact O-N 2.86Å
127	L	90.8	Very high	85.7	Confident	57 Å²	57	62.5 Å²	62.5	30%	0.298	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	120.5	179.9	177.4	67.9	0	0	0	110.8	W116 N117 K120 D122 T129	W116-L127 WeakPolarHBondContact CA-O 3.38Å; N117-L127 PolarHBondContact N-O 2.82Å; N117-L127 PolarHBondContact O-N 2.96Å; K120-L127 HydrophobicContact CB-CB 3.84Å; K120-L127 HydrophobicContact CB-CD2 3.8Å; K120-L127 HydrophobicContact CB-CG 4.49Å; K120-L127 HydrophobicContact CD-CD2 3.81Å; K120-L127 HydrophobicContact CG-CD2 4.47Å; K120-L127 VanDerWaalsContact O-CB 3.31Å; K120-L127 WeakPolarHBondContact O-CB 3.39Å; K120-L127 PolarHBondContact O-N 2.91Å; D122-L127 HydrophobicContact CB-CD1 4.36Å; L127-T129 HydrophobicContact CD2-CG2 4.44Å; L127-T129 PolarHBondContact O-N 3.03Å
128	C	90.8	Very high	85	Confident	39 Å²	39	67.8 Å²	67.8	26%	0.264	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	108.6	169.2	-161.3	0	0	0	0	109.9	W116 P126 I131	W116-C128 HydrophobicContact CD2-CB 4.44Å; W116-C128 HydrophobicContact CE3-CB 3.72Å; W116-C128 HydrophobicContact CH2-CB 4.08Å; W116-C128 HydrophobicContact CZ3-CB 3.53Å; P126-C128 PolarHBondContact O-N 2.86Å; C128-I131 WeakPolarHBondContact SG-CG1 3.41Å
129	T	89.2	Confident	84.7	Confident	49 Å²	49	73 Å²	73	30%	0.301	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-31.1	-178.2	54.4	0	0	0	0	113.2	I115 N117 L127	I115-T129 PolarHBondContact O-N 2.84Å; I115-T129 PolarHBondContact O-OG1 2.53Å; N117-T129 HydrophobicContact CB-CG2 3.66Å; L127-T129 HydrophobicContact CD2-CG2 4.44Å; L127-T129 PolarHBondContact O-N 3.03Å
130	R	89.1	Confident	84.6	Confident	21 Å²	21	69.5 Å²	69.5	8%	0.079	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	141.7	-175.2	-163.2	-177.4	176	-160.3	-4.2	111.6	K114 I115 F132 I171 D174 S177	K114-R130 WeakPolarHBondContact CA-O 3.17Å; I115-R130 HydrophobicContact CB-CB 4.2Å; I115-R130 HydrophobicContact CG1-CB 4.22Å; I115-R130 PolarHBondContact N-O 2.95Å; R130-F132 HydrophobicContact CG-CD1 4.11Å; R130-I171 VanDerWaalsContact CD-O 3.27Å; R130-I171 WeakPolarHBondContact CD-O 3.39Å; R130-D174 IonicContact CZ-OD1 3.09Å; R130-D174 IonicContact NE-OD1 3.86Å; R130-D174 PolarHBondContact NE-OD1 3.19Å; R130-D174 IonicContact NH2-OD1 2.67Å; R130-D174 PolarHBondContact NH2-OD1 2.82Å; R130-S177 PolarHBondContact NH1-OG 3.15Å; R130-S177 PolarHBondContact NH2-OG 2.83Å
131	I	91.5	Very high	84.8	Confident	97 Å²	97	64.7 Å²	64.7	50%	0.497	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131	175.1	-50.8	-177.7	0	0	0	108.3	V113 K114 C128	V113-I131 WeakPolarHBondContact O-CA 3.12Å; K114-I131 HydrophobicContact CD-CD1 4.41Å; K114-I131 HydrophobicContact CG-CD1 4.41Å; K114-I131 HydrophobicContact CG-CG1 4.06Å; K114-I131 HydrophobicContact CG-CG2 4.1Å; C128-I131 WeakPolarHBondContact SG-CG1 3.41Å
132	F	90.6	Very high	85	Confident	21 Å²	21	58.7 Å²	58.7	9%	0.092	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	154.7	173.9	62.2	-86.1	0	0	0	111.3	V113 R130 M155	V113-F132 HydrophobicContact CB-CD1 4.33Å; V113-F132 HydrophobicContact CB-CD2 4.28Å; V113-F132 HydrophobicContact CB-CE1 3.92Å; V113-F132 HydrophobicContact CB-CE2 3.86Å; V113-F132 HydrophobicContact CB-CG 4.5Å; V113-F132 HydrophobicContact CB-CZ 3.67Å; V113-F132 HydrophobicContact CG1-CE1 3.75Å; V113-F132 HydrophobicContact CG1-CE2 4.24Å; V113-F132 HydrophobicContact CG1-CZ 3.57Å; V113-F132 HydrophobicContact CG2-CD2 4.43Å; V113-F132 HydrophobicContact CG2-CE2 3.85Å; V113-F132 HydrophobicContact CG2-CZ 4.02Å; V113-F132 PolarHBondContact N-O 2.87Å; V113-F132 PolarHBondContact O-N 2.99Å; V113-F132 VanDerWaalsContact O-N 3.09Å; R130-F132 HydrophobicContact CG-CD1 4.11Å; F132-M155 HydrophobicContact CZ-SD 3.93Å
133	P	89.9	Confident	85.8	Confident	71 Å²	71	53.4 Å²	53.4	46%	0.461	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	139	178.3	30.6	-34.5	0	0	0	112.2	L112 I135	L112-P133 HydrophobicContact CD2-CB 4.27Å; P133-I135 HydrophobicContact CB-CD1 3.85Å; P133-I135 HydrophobicContact CB-CG1 4.11Å; P133-I135 HydrophobicContact CG-CD1 4.42Å; P133-I135 PolarHBondContact O-N 2.79Å
134	A	87.5	Confident	86.9	Confident	2 Å²	2	50.3 Å²	50.3	2%	0.017	31%	0.305	C	S	.	.			trans	-91.1	77.5	172.5	0	0	0	0	0	110.6	P111 V113 V143 I157 F159	P111-A134 HydrophobicContact CB-CB 4.27Å; P111-A134 HydrophobicContact CG-CB 4.15Å; P111-A134 VanDerWaalsContact CG-O 3.26Å; P111-A134 WeakPolarHBondContact CG-O 3.4Å; P111-A134 PolarHBondContact O-N 3.5Å; V113-A134 HydrophobicContact CG2-CB 3.71Å; A134-V143 HydrophobicContact CB-CG2 3.86Å; A134-I157 HydrophobicContact CB-CD1 3.92Å; A134-I157 HydrophobicContact CB-CG2 4.36Å; A134-F159 HydrophobicContact CB-CE1 4.37Å; A134-F159 HydrophobicContact CB-CZ 4.21Å; A134-F159 WeakPolarHBondContact O-CE1 3.41Å; A134-F159 WeakPolarHBondContact O-CZ 3.36Å
135	I	85.9	Confident	87.7	Confident	53 Å²	53	48.9 Å²	48.9	27%	0.272	29%	0.287	S	S	.	.			trans	-114.2	123.6	-178.6	-62.7	168.5	0	0	0	110	P133 G137 E139 P140	P133-I135 HydrophobicContact CB-CD1 3.85Å; P133-I135 HydrophobicContact CB-CG1 4.11Å; P133-I135 HydrophobicContact CG-CD1 4.42Å; P133-I135 PolarHBondContact O-N 2.79Å; I135-G137 PolarHBondContact O-N 3.4Å; I135-E139 WeakPolarHBondContact CG2-O 3.19Å; I135-P140 HydrophobicContact CD1-CB 4.48Å; I135-P140 HydrophobicContact CG1-CB 4.27Å
136	P	81.8	Confident	88.2	Confident	12 Å²	12	46 Å²	46	8%	0.078	27%	0.272	C	S	.	.	S	Bend	trans	-78.2	86.2	174.4	31.3	-29.5	0	0	0	110	F159 T165	P136-F159 HydrophobicContact CB-CD2 3.82Å; P136-F159 HydrophobicContact CB-CE2 3.85Å; P136-F159 HydrophobicContact CB-CG 4.24Å; P136-F159 HydrophobicContact CB-CZ 4.26Å; P136-F159 HydrophobicContact CG-CB 4.49Å; P136-F159 HydrophobicContact CG-CD1 3.9Å; P136-F159 HydrophobicContact CG-CD2 3.94Å; P136-F159 HydrophobicContact CG-CE1 4.07Å; P136-F159 HydrophobicContact CG-CE2 4.12Å; P136-F159 HydrophobicContact CG-CG 3.83Å; P136-F159 HydrophobicContact CG-CZ 4.17Å; P136-T165 HydrophobicContact CB-CG2 4.19Å
137	G	79.3	Confident	88.4	Confident	47 Å²	47	45.4 Å²	45.4	49%	0.485	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-115.7	179.3	0	0	0	0	0	112.4	I135	I135-G137 PolarHBondContact O-N 3.4Å
138	T	76.1	Confident	88.6	Confident	139 Å²	139	42.7 Å²	42.7	85%	0.853	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-27.1	-171.5	45.6	0	0	0	0	114.6
139	E	82.3	Confident	88.7	Confident	146 Å²	146	41.4 Å²	41.4	68%	0.682	24%	0.244	S	C	*	.	S	Bend	trans	-104.9	129.6	-177.8	-68.5	-174.2	177.2	0	0	111.2	I135 T141	I135-E139 WeakPolarHBondContact CG2-O 3.19Å; E139-T141 PolarHBondContact O-N 2.94Å; E139-T141 PolarHBondContact O-OG1 3.25Å
140	P	84.1	Confident	88.7	Confident	62 Å²	62	40.9 Å²	40.9	40%	0.403	24%	0.238	S	C	.	.			trans	-70	126.3	178.4	29.5	-33.3	0	0	0	110.4	I109 I135	I109-P140 HydrophobicContact CG2-CB 4.29Å; I109-P140 WeakPolarHBondContact O-CB 3.43Å; I135-P140 HydrophobicContact CD1-CB 4.48Å; I135-P140 HydrophobicContact CG1-CB 4.27Å
141	T	89.5	Confident	88.7	Confident	22 Å²	22	42.2 Å²	42.2	14%	0.135	25%	0.247	C	C	.	.			trans	-125.2	150.1	-177.6	-56.3	0	0	0	0	109.6	E139 V143 F159 D161	E139-T141 PolarHBondContact O-N 2.94Å; E139-T141 PolarHBondContact O-OG1 3.25Å; T141-V143 PolarHBondContact O-N 2.9Å; T141-F159 HydrophobicContact CG2-CB 4.01Å; T141-F159 HydrophobicContact CG2-CD1 4.32Å; T141-D161 HydrophobicContact CG2-CB 3.92Å
142	V	90.2	Very high	88.7	Confident	58 Å²	58	38.8 Å²	38.8	35%	0.352	23%	0.229	S	C	.	.			trans	-66.9	130.9	179.1	-178.4	0	0	0	0	110.2	I109 F159 T160	I109-V142 HydrophobicContact CD1-CG2 4.04Å; I109-V142 HydrophobicContact CG1-CG2 4.17Å; I109-V142 HydrophobicContact CG2-CG2 3.97Å; V142-F159 WeakPolarHBondContact O-CA 3.42Å; V142-T160 HydrophobicContact CB-CG2 4Å; V142-T160 HydrophobicContact CG1-CG2 4.18Å; V142-T160 PolarHBondContact O-N 2.76Å; V142-T160 PolarHBondContact O-OG1 3.32Å
143	V	93.6	Very high	88.6	Confident	7 Å²	7	41.3 Å²	41.3	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	132.9	172.8	175.9	0	0	0	0	108.9	H89 V102 P111 A134 T141 I157 F159	H89-V143 PolarHBondContact CE1-O 2.88Å; V102-V143 HydrophobicContact CG1-CB 4.34Å; V102-V143 HydrophobicContact CG1-CG2 4.12Å; P111-V143 HydrophobicContact CB-CG2 3.74Å; P111-V143 HydrophobicContact CG-CG2 3.99Å; A134-V143 HydrophobicContact CB-CG2 3.86Å; T141-V143 PolarHBondContact O-N 2.9Å; V143-I157 HydrophobicContact CB-CG2 4.33Å; V143-I157 HydrophobicContact CG1-CG2 3.63Å; V143-I157 HydrophobicContact CG2-CG2 3.78Å; V143-F159 HydrophobicContact CG2-CD1 4.13Å; V143-F159 HydrophobicContact CG2-CE1 3.63Å; V143-F159 HydrophobicContact CG2-CZ 4.35Å
144	S	93.2	Very high	88.8	Confident	16 Å²	16	38.8 Å²	38.8	11%	0.112	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-27	179	63.4	0	0	0	0	113.5	H89 G158 F159 V189	H89-S144 VanDerWaalsContact NE2-C 3.26Å; H89-S144 PolarHBondContact NE2-O 3.32Å; S144-G158 PolarHBondContact N-O 2.76Å; S144-G158 VanDerWaalsContact OG-C 3.23Å; S144-G158 PolarHBondContact OG-O 2.8Å; S144-F159 PolarHBondContact OG-N 2.9Å; S144-F159 PolarHBondContact OG-O 2.87Å; S144-V189 WeakPolarHBondContact CB-O 3.18Å; S144-V189 PolarHBondContact OG-O 3.22Å
145	C	92.6	Very high	89.1	Confident	14 Å²	14	38.7 Å²	38.7	10%	0.095	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	154.3	179.1	52.1	0	0	0	0	111.8	G158 V189 L192	C145-G158 PolarHBondContact N-O 2.73Å; C145-G158 PolarHBondContact O-N 3.31Å; C145-V189 VanDerWaalsContact SG-CG1 3.51Å; C145-L192 VanDerWaalsContact SG-CD1 3.52Å; C145-L192 VanDerWaalsContact SG-CG 3.55Å
146	L	94.4	Very high	89.5	Confident	17 Å²	17	36.2 Å²	36.2	9%	0.089	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	134.9	-178.5	175	71	0	0	0	108.9	H89 A100 V102 M155 I157	H89-L146 HydrophobicContact CB-CB 4.18Å; H89-L146 HydrophobicContact CB-CD2 4.37Å; A100-L146 HydrophobicContact CB-CD2 4.18Å; V102-L146 HydrophobicContact CG2-CD2 4.11Å; L146-M155 HydrophobicContact CD1-CG 4.19Å; L146-I157 HydrophobicContact CD1-CG1 3.9Å
147	T	94.6	Very high	90.1	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	145.5	168	-172	0	0	0	0	111	M155 A156 L192 F194 L203	T147-M155 WeakPolarHBondContact O-CA 3.3Å; T147-A156 HydrophobicContact CG2-CB 3.93Å; T147-A156 PolarHBondContact N-O 2.93Å; T147-A156 PolarHBondContact O-N 3.05Å; T147-L192 HydrophobicContact CG2-CB 3.5Å; T147-L192 VanDerWaalsContact CG2-CB 3.5Å; T147-L192 HydrophobicContact CG2-CD1 4.44Å; T147-F194 HydrophobicContact CG2-CD2 3.76Å; T147-F194 HydrophobicContact CG2-CE2 3.71Å; T147-L203 HydrophobicContact CG2-CD1 4.08Å
148	V	94.4	Very high	90.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.6	179.1	-172.6	0	0	0	0	109	Y91 L93 A100 M155 I171	Y91-V148 HydrophobicContact CD1-CB 3.62Å; Y91-V148 HydrophobicContact CD1-CG2 3.79Å; Y91-V148 HydrophobicContact CE1-CB 3.74Å; Y91-V148 HydrophobicContact CE1-CG2 4.39Å; Y91-V148 WeakPolarHBondContact CE1-O 3.01Å; Y91-V148 HydrophobicContact CG-CB 4.41Å; Y91-V148 HydrophobicContact CG-CG2 4.18Å; Y91-V148 PolarHBondContact OH-O 2.83Å; L93-V148 HydrophobicContact CD1-CB 4.48Å; L93-V148 HydrophobicContact CD1-CG1 4.12Å; L93-V148 HydrophobicContact CD2-CG1 4.15Å; L93-V148 HydrophobicContact CG-CG1 4.4Å; A100-V148 HydrophobicContact CB-CG2 3.89Å; V148-M155 HydrophobicContact CG1-CB 4.47Å; V148-M155 HydrophobicContact CG1-CE 4.47Å; V148-M155 HydrophobicContact CG2-CB 4.31Å; V148-M155 HydrophobicContact CG2-CE 3.72Å; V148-M155 HydrophobicContact CG2-CG 4.11Å; V148-I171 HydrophobicContact CG1-CD1 3.39Å
149	H	93	Very high	91.7	Very high	12 Å²	12	26.8 Å²	26.8	6%	0.056	15%	0.145	C	C	.	.			trans	-75.3	140.2	175.2	-165.9	-60.5	0	0	0	110.5	N151 L152 F154 F194 Q196 T201	H149-N151 PolarHBondContact CE1-ND2 3.04Å; H149-N151 PolarHBondContact ND1-N 2.89Å; H149-N151 PolarHBondContact ND1-ND2 3.25Å; H149-N151 PolarHBondContact ND1-OD1 2.84Å; H149-N151 PolarHBondContact O-N 2.9Å; H149-L152 PolarHBondContact O-N 2.81Å; H149-F154 HydrophobicContact CB-CB 3.95Å; H149-F154 PolarHBondContact N-O 2.97Å; H149-F194 HydrophobicContact CB-CB 4.33Å; H149-F194 HydrophobicContact CB-CD2 3.82Å; H149-F194 HydrophobicContact CB-CE2 4.24Å; H149-F194 HydrophobicContact CB-CG 4Å; H149-F194 AromaticContact CD2-CG 3.87Å; H149-Q196 PolarHBondContact CE1-OE1 2.61Å; H149-T201 WeakPolarHBondContact CD2-CG2 3.29Å
150	E	89.6	Confident	92.2	Very high	37 Å²	37	22.7 Å²	22.7	17%	0.173	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-12.3	179.7	-66.8	-69.8	172.2	0	0	114.6	K94 Q95 H96 L152	K94-E150 WeakPolarHBondContact CB-OE1 3.35Å; K94-E150 PolarHBondContact N-OE1 2.99Å; K94-E150 PolarHBondContact N-OE2 2.83Å; Q95-E150 VanDerWaalsContact CB-OE2 3.29Å; Q95-E150 WeakPolarHBondContact CB-OE2 3.44Å; Q95-E150 HydrophobicContact CG-CB 4.37Å; Q95-E150 HydrophobicContact CG-CG 4.36Å; Q95-E150 PolarHBondContact N-OE2 3.11Å; H96-E150 PolarHBondContact CD2-O 3.43Å; H96-E150 PolarHBondContact NE2-O 2.6Å; E150-L152 VanDerWaalsContact C-N 3.3Å
151	N	89.6	Confident	92.5	Very high	50 Å²	50	22.4 Å²	22.4	27%	0.267	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	3.8	178.3	69.8	5.1	0	0	0	112.6	H149 N153	H149-N151 PolarHBondContact CE1-ND2 3.04Å; H149-N151 PolarHBondContact ND1-N 2.89Å; H149-N151 PolarHBondContact ND1-ND2 3.25Å; H149-N151 PolarHBondContact ND1-OD1 2.84Å; H149-N151 PolarHBondContact O-N 2.9Å; N151-N153 PolarHBondContact O-N 3.13Å; N151-N153 PolarHBondContact O-ND2 3.01Å; N151-N153 WeakPolarHBondContact OD1-CB 3.4Å; N151-N153 PolarHBondContact OD1-N 3.13Å
152	L	89.6	Confident	92.5	Very high	24 Å²	24	21.3 Å²	21.3	13%	0.126	12%	0.118	C	C	.	.	S	Bend	trans	60.9	5.4	-178.6	-55	174.6	0	0	0	115.5	L93 H96 I98 H149 E150 G169 D170 I171	L93-L152 HydrophobicContact CD1-CD2 4.31Å; L93-L152 HydrophobicContact CD2-CD2 3.56Å; H96-L152 HydrophobicContact CB-CD2 4.44Å; I98-L152 HydrophobicContact CD1-CD1 3.8Å; I98-L152 HydrophobicContact CD1-CD2 3.75Å; I98-L152 HydrophobicContact CD1-CG 4.47Å; H149-L152 PolarHBondContact O-N 2.81Å; E150-L152 VanDerWaalsContact C-N 3.3Å; L152-G169 VanDerWaalsContact O-O 3.1Å; L152-D170 WeakPolarHBondContact O-CA 3.44Å; L152-I171 HydrophobicContact CB-CD1 4.46Å; L152-I171 HydrophobicContact CB-CG1 4.17Å; L152-I171 HydrophobicContact CD2-CD1 3.64Å; L152-I171 HydrophobicContact CD2-CG1 4.04Å; L152-I171 WeakPolarHBondContact O-CG2 3.28Å; L152-I171 PolarHBondContact O-N 2.91Å
153	N	90.3	Very high	92.7	Very high	74 Å²	74	18.9 Å²	18.9	40%	0.396	10%	0.103	S	C	.	.	S	Bend	trans	-94.5	-14	-176	-69.8	-40.9	0	0	0	113.6	N151 K168 G169	N151-N153 PolarHBondContact O-N 3.13Å; N151-N153 PolarHBondContact O-ND2 3.01Å; N151-N153 WeakPolarHBondContact OD1-CB 3.4Å; N151-N153 PolarHBondContact OD1-N 3.13Å; N153-K168 CarbonylContact O-C 3.59Å; N153-K168 WeakPolarHBondContact O-CA 3.34Å; N153-G169 CarbonylContact C-O 3.57Å; N153-G169 VanDerWaalsContact CA-O 3.32Å; N153-G169 WeakPolarHBondContact CA-O 3.43Å; N153-G169 PolarHBondContact O-N 2.81Å
154	F	92.4	Very high	92.7	Very high	18 Å²	18	18.5 Å²	18.5	8%	0.079	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.2	-177.4	-58.3	-74.3	0	0	0	110.7	H149 L166 N167 K168 F194 T201 V216	H149-F154 HydrophobicContact CB-CB 3.95Å; H149-F154 PolarHBondContact N-O 2.97Å; F154-L166 HydrophobicContact CB-CD1 4.38Å; F154-L166 HydrophobicContact CD1-CD1 4.32Å; F154-N167 WeakPolarHBondContact CA-O 3.38Å; F154-K168 HydrophobicContact CD1-CG 4.31Å; F154-K168 HydrophobicContact CE1-CD 4.13Å; F154-K168 HydrophobicContact CE1-CG 3.9Å; F154-F194 HydrophobicContact CB-CE1 3.84Å; F154-F194 HydrophobicContact CB-CE2 4.14Å; F154-F194 HydrophobicContact CB-CZ 3.59Å; F154-T201 HydrophobicContact CD2-CG2 4.29Å; F154-T201 HydrophobicContact CE2-CG2 4.41Å; F154-V216 HydrophobicContact CD1-CG2 4.29Å; F154-V216 HydrophobicContact CE1-CB 4.38Å; F154-V216 HydrophobicContact CE1-CG2 4.21Å; F154-V216 HydrophobicContact CE2-CG2 4.49Å; F154-V216 HydrophobicContact CG-CG2 4.45Å; F154-V216 HydrophobicContact CZ-CG2 4.31Å
155	M	94.2	Very high	92.7	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	129.5	169.3	162.7	-169.5	-66.7	0	0	108	A100 V113 I115 F132 L146 T147 V148 I157 L166 N167 I171	A100-M155 HydrophobicContact CB-CE 4.1Å; V113-M155 HydrophobicContact CG1-SD 4.29Å; I115-M155 HydrophobicContact CD1-CE 3.4Å; I115-M155 HydrophobicContact CG1-CE 4.47Å; F132-M155 HydrophobicContact CZ-SD 3.93Å; L146-M155 HydrophobicContact CD1-CG 4.19Å; T147-M155 WeakPolarHBondContact O-CA 3.3Å; V148-M155 HydrophobicContact CG1-CB 4.47Å; V148-M155 HydrophobicContact CG1-CE 4.47Å; V148-M155 HydrophobicContact CG2-CB 4.31Å; V148-M155 HydrophobicContact CG2-CE 3.72Å; V148-M155 HydrophobicContact CG2-CG 4.11Å; M155-I157 HydrophobicContact CG-CG1 4.43Å; M155-L166 CarbonylContact O-C 3.58Å; M155-L166 WeakPolarHBondContact O-CA 3.26Å; M155-N167 HydrophobicContact CB-CB 4.09Å; M155-N167 PolarHBondContact N-O 3.01Å; M155-N167 PolarHBondContact O-N 2.85Å; M155-I171 HydrophobicContact CB-CG2 3.8Å; M155-I171 HydrophobicContact CE-CB 4.1Å; M155-I171 HydrophobicContact CE-CD1 4.13Å; M155-I171 HydrophobicContact CE-CG2 4Å
156	A	94.8	Very high	92.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.7	178.4	0	0	0	0	0	110.2	T147 T165 L166 L192 F194 L203	T147-A156 HydrophobicContact CG2-CB 3.93Å; T147-A156 PolarHBondContact N-O 2.93Å; T147-A156 PolarHBondContact O-N 3.05Å; A156-T165 CarbonylContact C-O 3.57Å; A156-T165 VanDerWaalsContact CA-O 3.28Å; A156-T165 WeakPolarHBondContact CA-O 3.45Å; A156-L166 HydrophobicContact CB-CD1 4.25Å; A156-L192 HydrophobicContact CB-CD1 4.14Å; A156-F194 HydrophobicContact CB-CE2 4.08Å; A156-F194 HydrophobicContact CB-CZ 3.82Å; A156-L203 HydrophobicContact CB-CD1 4.01Å; A156-L203 HydrophobicContact CB-CD2 3.69Å
157	I	95.2	Very high	92.5	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.4	179.5	-51.1	177.4	0	0	0	107.3	V113 A134 V143 L146 M155 F159 V164 T165	V113-I157 HydrophobicContact CG2-CD1 3.72Å; A134-I157 HydrophobicContact CB-CD1 3.92Å; A134-I157 HydrophobicContact CB-CG2 4.36Å; V143-I157 HydrophobicContact CB-CG2 4.33Å; V143-I157 HydrophobicContact CG1-CG2 3.63Å; V143-I157 HydrophobicContact CG2-CG2 3.78Å; L146-I157 HydrophobicContact CD1-CG1 3.9Å; M155-I157 HydrophobicContact CG-CG1 4.43Å; I157-F159 HydrophobicContact CB-CE2 4.22Å; I157-F159 HydrophobicContact CB-CZ 4.32Å; I157-F159 HydrophobicContact CG2-CE1 4.25Å; I157-F159 HydrophobicContact CG2-CE2 3.96Å; I157-F159 HydrophobicContact CG2-CZ 3.73Å; I157-V164 CarbonylContact O-C 3.57Å; I157-V164 WeakPolarHBondContact O-CA 3.48Å; I157-T165 PolarHBondContact N-O 3.32Å; I157-T165 PolarHBondContact O-N 2.84Å
158	G	94.5	Very high	92.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	149	176.1	0	0	0	0	0	110.6	S144 C145 L192	S144-G158 PolarHBondContact N-O 2.76Å; S144-G158 VanDerWaalsContact OG-C 3.23Å; S144-G158 PolarHBondContact OG-O 2.8Å; C145-G158 PolarHBondContact N-O 2.73Å; C145-G158 PolarHBondContact O-N 3.31Å; G158-L192 VanDerWaalsContact N-CD1 3.35Å
159	F	94.4	Very high	91.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	160.5	-174.8	-65.7	-83.9	0	0	0	111.9	A134 P136 T141 V142 V143 S144 I157 D161 G162 S163 T165 V189	A134-F159 HydrophobicContact CB-CE1 4.37Å; A134-F159 HydrophobicContact CB-CZ 4.21Å; A134-F159 WeakPolarHBondContact O-CE1 3.41Å; A134-F159 WeakPolarHBondContact O-CZ 3.36Å; P136-F159 HydrophobicContact CB-CD2 3.82Å; P136-F159 HydrophobicContact CB-CE2 3.85Å; P136-F159 HydrophobicContact CB-CG 4.24Å; P136-F159 HydrophobicContact CB-CZ 4.26Å; P136-F159 HydrophobicContact CG-CB 4.49Å; P136-F159 HydrophobicContact CG-CD1 3.9Å; P136-F159 HydrophobicContact CG-CD2 3.94Å; P136-F159 HydrophobicContact CG-CE1 4.07Å; P136-F159 HydrophobicContact CG-CE2 4.12Å; P136-F159 HydrophobicContact CG-CG 3.83Å; P136-F159 HydrophobicContact CG-CZ 4.17Å; T141-F159 HydrophobicContact CG2-CB 4.01Å; T141-F159 HydrophobicContact CG2-CD1 4.32Å; V142-F159 WeakPolarHBondContact O-CA 3.42Å; V143-F159 HydrophobicContact CG2-CD1 4.13Å; V143-F159 HydrophobicContact CG2-CE1 3.63Å; V143-F159 HydrophobicContact CG2-CZ 4.35Å; S144-F159 PolarHBondContact OG-N 2.9Å; S144-F159 PolarHBondContact OG-O 2.87Å; I157-F159 HydrophobicContact CB-CE2 4.22Å; I157-F159 HydrophobicContact CB-CZ 4.32Å; I157-F159 HydrophobicContact CG2-CE1 4.25Å; I157-F159 HydrophobicContact CG2-CE2 3.96Å; I157-F159 HydrophobicContact CG2-CZ 3.73Å; F159-D161 VanDerWaalsContact C-N 3.27Å; F159-D161 WeakPolarHBondContact CB-OD1 3.4Å; F159-D161 PolarHBondContact O-N 2.89Å; F159-G162 PolarHBondContact O-N 2.87Å; F159-G162 VanDerWaalsContact O-N 3.14Å; F159-S163 WeakPolarHBondContact CD2-O 3.32Å; F159-S163 PolarHBondContact N-O 2.91Å; F159-T165 HydrophobicContact CE2-CG2 3.7Å; F159-T165 HydrophobicContact CZ-CG2 4.42Å; F159-V189 PolarHBondContact O-N 3.19Å
160	T	92.4	Very high	91.5	Very high	60 Å²	60	22 Å²	22	37%	0.368	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.8	179	54.7	0	0	0	0	113.8	V142 G162 P188	V142-T160 HydrophobicContact CB-CG2 4Å; V142-T160 HydrophobicContact CG1-CG2 4.18Å; V142-T160 PolarHBondContact O-N 2.76Å; V142-T160 PolarHBondContact O-OG1 3.32Å; T160-G162 PolarHBondContact O-N 2.93Å; T160-P188 WeakPolarHBondContact O-CA 3.23Å; T160-P188 WeakPolarHBondContact O-CG 3.34Å
161	D	90.6	Very high	91.4	Very high	55 Å²	55	20.3 Å²	20.3	29%	0.294	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-9.6	172.8	70.3	-25.8	0	0	0	112.6	T141 F159 S163 G185	T141-D161 HydrophobicContact CG2-CB 3.92Å; F159-D161 VanDerWaalsContact C-N 3.27Å; F159-D161 WeakPolarHBondContact CB-OD1 3.4Å; F159-D161 PolarHBondContact O-N 2.89Å; D161-S163 VanDerWaalsContact OD1-CB 3.26Å; D161-S163 WeakPolarHBondContact OD1-CB 3.3Å; D161-S163 PolarHBondContact OD1-N 3.16Å; D161-S163 PolarHBondContact OD1-OG 2.85Å; D161-S163 WeakPolarHBondContact OD2-CB 3.47Å; D161-S163 PolarHBondContact OD2-OG 3.01Å; D161-G185 CarbonylContact O-C 3.53Å
162	G	89.8	Confident	91.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	93	1.3	-174.6	0	0	0	0	0	114.2	F159 T160 H183 G185 Y187	F159-G162 PolarHBondContact O-N 2.87Å; F159-G162 VanDerWaalsContact O-N 3.14Å; T160-G162 PolarHBondContact O-N 2.93Å; G162-H183 PolarHBondContact O-CD2 2.92Å; G162-H183 VanDerWaalsContact O-CD2 3.29Å; G162-G185 PolarHBondContact O-N 3.35Å; G162-G185 VanDerWaalsContact O-N 3.11Å; G162-Y187 WeakPolarHBondContact CA-O 3.41Å
163	S	92.9	Very high	90.8	Very high	6 Å²	6	26 Å²	26	4%	0.042	13%	0.13	C	C	.	.			trans	-72.8	149	173.6	-65.5	0	0	0	0	111.3	F159 D161 H183	F159-S163 WeakPolarHBondContact CD2-O 3.32Å; F159-S163 PolarHBondContact N-O 2.91Å; D161-S163 VanDerWaalsContact OD1-CB 3.26Å; D161-S163 WeakPolarHBondContact OD1-CB 3.3Å; D161-S163 PolarHBondContact OD1-N 3.16Å; D161-S163 PolarHBondContact OD1-OG 2.85Å; D161-S163 WeakPolarHBondContact OD2-CB 3.47Å; D161-S163 PolarHBondContact OD2-OG 3.01Å; S163-H183 CarbonylContact C-O 3.36Å; S163-H183 VanDerWaalsContact CA-O 3.31Å; S163-H183 WeakPolarHBondContact CA-O 3.39Å
164	V	94	Very high	89.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.9	170.7	-178.9	0	0	0	0	108.9	I157 L182 H183 V189 L192 L203 V205	I157-V164 CarbonylContact O-C 3.57Å; I157-V164 WeakPolarHBondContact O-CA 3.48Å; V164-L182 HydrophobicContact CG1-CB 4.46Å; V164-L182 HydrophobicContact CG1-CD2 4.35Å; V164-L182 PolarHBondContact O-N 2.85Å; V164-H183 HydrophobicContact CB-CB 4.17Å; V164-H183 HydrophobicContact CG2-CB 4.31Å; V164-H183 PolarHBondContact N-O 3.34Å; V164-H183 PolarHBondContact O-N 3.19Å; V164-V189 HydrophobicContact CG2-CG1 4.28Å; V164-V189 HydrophobicContact CG2-CG2 3.73Å; V164-L192 HydrophobicContact CG1-CD2 4.22Å; V164-L192 HydrophobicContact CG2-CD2 4.37Å; V164-L203 HydrophobicContact CG1-CD2 4.5Å; V164-V205 HydrophobicContact CG2-CG1 3.81Å; V164-V205 HydrophobicContact CG2-CG2 4.49Å
165	T	93.3	Very high	88.7	Confident	4 Å²	4	38.3 Å²	38.3	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142	171.2	61.8	0	0	0	0	110.6	P136 A156 I157 F159 Q180 I181	P136-T165 HydrophobicContact CB-CG2 4.19Å; A156-T165 CarbonylContact C-O 3.57Å; A156-T165 VanDerWaalsContact CA-O 3.28Å; A156-T165 WeakPolarHBondContact CA-O 3.45Å; I157-T165 PolarHBondContact N-O 3.32Å; I157-T165 PolarHBondContact O-N 2.84Å; F159-T165 HydrophobicContact CE2-CG2 3.7Å; F159-T165 HydrophobicContact CZ-CG2 4.42Å; T165-Q180 CarbonylContact C-O 3.54Å; T165-Q180 WeakPolarHBondContact CA-O 3.23Å; T165-I181 HydrophobicContact CG2-CG1 4.27Å
166	L	92.5	Very high	87.3	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.4	176.9	-177.9	70.2	0	0	0	109.1	F154 M155 A156 Q180 L182 F194 V216 Y221	F154-L166 HydrophobicContact CB-CD1 4.38Å; F154-L166 HydrophobicContact CD1-CD1 4.32Å; M155-L166 CarbonylContact O-C 3.58Å; M155-L166 WeakPolarHBondContact O-CA 3.26Å; A156-L166 HydrophobicContact CB-CD1 4.25Å; L166-Q180 PolarHBondContact N-O 2.93Å; L166-Q180 PolarHBondContact O-N 3.01Å; L166-L182 HydrophobicContact CB-CB 4.3Å; L166-L182 HydrophobicContact CD2-CD1 4.5Å; L166-F194 HydrophobicContact CD1-CE1 4.2Å; L166-F194 HydrophobicContact CD1-CZ 3.81Å; L166-V216 HydrophobicContact CD2-CB 4.05Å; L166-V216 HydrophobicContact CD2-CG1 3.85Å; L166-Y221 HydrophobicContact CD2-CE1 4.22Å
167	N	90.9	Very high	86.4	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.011	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	113.8	168	-68.8	-44.9	0	0	0	108.7	F154 M155 T179	F154-N167 WeakPolarHBondContact CA-O 3.38Å; M155-N167 HydrophobicContact CB-CB 4.09Å; M155-N167 PolarHBondContact N-O 3.01Å; M155-N167 PolarHBondContact O-N 2.85Å; N167-T179 WeakPolarHBondContact OD1-CA 3.18Å; N167-T179 WeakPolarHBondContact OD1-CB 3.15Å; N167-T179 WeakPolarHBondContact OD1-CG2 3.36Å; N167-T179 PolarHBondContact OD1-OG1 2.79Å
168	K	88.2	Confident	85.7	Confident	71 Å²	71	53 Å²	53	31%	0.309	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.9	178.3	-175.7	171.6	-176.1	164.6	0	110.8	N153 F154 S177 K178	N153-K168 CarbonylContact O-C 3.59Å; N153-K168 WeakPolarHBondContact O-CA 3.34Å; F154-K168 HydrophobicContact CD1-CG 4.31Å; F154-K168 HydrophobicContact CE1-CD 4.13Å; F154-K168 HydrophobicContact CE1-CG 3.9Å; K168-S177 CarbonylContact O-C 3.58Å; K168-S177 WeakPolarHBondContact O-CA 3.31Å; K168-K178 PolarHBondContact N-O 3.24Å; K168-K178 PolarHBondContact O-N 3.33Å
169	G	86	Confident	85.3	Confident	15 Å²	15	56.4 Å²	56.4	16%	0.155	27%	0.269	C	S	.	.	S	Bend	trans	113.3	175.9	-175	0	0	0	0	0	111.8	L152 N153 I171	L152-G169 VanDerWaalsContact O-O 3.1Å; N153-G169 CarbonylContact C-O 3.57Å; N153-G169 VanDerWaalsContact CA-O 3.32Å; N153-G169 WeakPolarHBondContact CA-O 3.43Å; N153-G169 PolarHBondContact O-N 2.81Å; G169-I171 PolarHBondContact O-N 2.8Å
170	D	86.1	Confident	84.9	Confident	43 Å²	43	59.2 Å²	59.2	23%	0.23	28%	0.282	C	S	.	.			trans	-58.5	111.1	179.7	-178.3	-10.3	0	0	0	110.7	L152 T172 R173	L152-D170 WeakPolarHBondContact O-CA 3.44Å; D170-T172 PolarHBondContact O-N 3Å; D170-T172 VanDerWaalsContact O-N 3.15Å; D170-T172 WeakPolarHBondContact OD1-CB 3.49Å; D170-T172 PolarHBondContact OD1-N 2.78Å; D170-T172 PolarHBondContact OD1-OG1 3.25Å; D170-T172 PolarHBondContact OD2-OG1 3.03Å; D170-R173 HydrophobicContact CB-CB 4.36Å; D170-R173 PolarHBondContact O-N 3.36Å; D170-R173 VanDerWaalsContact O-N 3.14Å; D170-R173 VanDerWaalsContact OD2-CD 3.31Å; D170-R173 WeakPolarHBondContact OD2-CD 3.37Å; D170-R173 WeakPolarHBondContact OD2-CG 3.42Å; D170-R173 IonicContact OD2-NE 3.41Å
171	I	86.8	Confident	84.8	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22	-177	62.8	177	0	0	0	113.1	L93 R130 V148 L152 M155 G169	L93-I171 HydrophobicContact CD1-CD1 4.5Å; R130-I171 VanDerWaalsContact CD-O 3.27Å; R130-I171 WeakPolarHBondContact CD-O 3.39Å; V148-I171 HydrophobicContact CG1-CD1 3.39Å; L152-I171 HydrophobicContact CB-CD1 4.46Å; L152-I171 HydrophobicContact CB-CG1 4.17Å; L152-I171 HydrophobicContact CD2-CD1 3.64Å; L152-I171 HydrophobicContact CD2-CG1 4.04Å; L152-I171 WeakPolarHBondContact O-CG2 3.28Å; L152-I171 PolarHBondContact O-N 2.91Å; M155-I171 HydrophobicContact CB-CG2 3.8Å; M155-I171 HydrophobicContact CE-CB 4.1Å; M155-I171 HydrophobicContact CE-CD1 4.13Å; M155-I171 HydrophobicContact CE-CG2 4Å; G169-I171 PolarHBondContact O-N 2.8Å
172	T	85.5	Confident	84.6	Confident	34 Å²	34	58 Å²	58	21%	0.209	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-14.1	-178.9	70.5	0	0	0	0	113.1	I98 I115 D170	I98-T172 HydrophobicContact CD1-CG2 3.49Å; I98-T172 VanDerWaalsContact CD1-CG2 3.49Å; I98-T172 HydrophobicContact CG1-CG2 4.42Å; I115-T172 HydrophobicContact CG2-CG2 4.46Å; D170-T172 PolarHBondContact O-N 3Å; D170-T172 VanDerWaalsContact O-N 3.15Å; D170-T172 WeakPolarHBondContact OD1-CB 3.49Å; D170-T172 PolarHBondContact OD1-N 2.78Å; D170-T172 PolarHBondContact OD1-OG1 3.25Å; D170-T172 PolarHBondContact OD2-OG1 3.03Å
173	R	82.6	Confident	84.3	Confident	160 Å²	160	59.2 Å²	59.2	60%	0.604	28%	0.278	S	S	*	.			trans	-125	132.5	-173.4	-65.6	-176.6	176.3	-168.9	-1.5	111.7	D170 S177	D170-R173 HydrophobicContact CB-CB 4.36Å; D170-R173 PolarHBondContact O-N 3.36Å; D170-R173 VanDerWaalsContact O-N 3.14Å; D170-R173 VanDerWaalsContact OD2-CD 3.31Å; D170-R173 WeakPolarHBondContact OD2-CD 3.37Å; D170-R173 WeakPolarHBondContact OD2-CG 3.42Å; D170-R173 IonicContact OD2-NE 3.41Å; R173-S177 PolarHBondContact O-OG 3.12Å
174	D	71.4	Confident	83.9	Confident	112 Å²	112	66 Å²	66	60%	0.599	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-74.7	-41.2	-175.8	-148.7	31.3	0	0	0	113	R130 H176 S177	R130-D174 IonicContact CZ-OD1 3.09Å; R130-D174 IonicContact NE-OD1 3.86Å; R130-D174 PolarHBondContact NE-OD1 3.19Å; R130-D174 IonicContact NH2-OD1 2.67Å; R130-D174 PolarHBondContact NH2-OD1 2.82Å; D174-H176 PolarHBondContact O-N 3.11Å; D174-S177 PolarHBondContact O-N 3.38Å; D174-S177 PolarHBondContact O-OG 3.25Å; D174-S177 VanDerWaalsContact O-OG 3.13Å
175	R	66.6	Low	83.3	Confident	238 Å²	238	66.8 Å²	66.8	90%	0.898	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-59.5	-14.5	-170.6	-72.8	-174.8	179.3	-177.4	-0.1	116.6
176	H	65.1	Low	82.9	Confident	148 Å²	148	73.7 Å²	73.7	69%	0.685	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-129	7.7	-176.9	-63.9	-61.9	0	0	0	114.2	D174	D174-H176 PolarHBondContact O-N 3.11Å
177	S	75.1	Confident	82.9	Confident	23 Å²	23	78.1 Å²	78.1	16%	0.161	37%	0.369	C	S	.	.			trans	-101.4	130	-176.1	68	0	0	0	0	111	R130 K168 R173 D174	R130-S177 PolarHBondContact NH1-OG 3.15Å; R130-S177 PolarHBondContact NH2-OG 2.83Å; K168-S177 CarbonylContact O-C 3.58Å; K168-S177 WeakPolarHBondContact O-CA 3.31Å; R173-S177 PolarHBondContact O-OG 3.12Å; D174-S177 PolarHBondContact O-N 3.38Å; D174-S177 PolarHBondContact O-OG 3.25Å; D174-S177 VanDerWaalsContact O-OG 3.13Å
178	K	81.1	Confident	83	Confident	140 Å²	140	80.4 Å²	80.4	61%	0.609	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.8	177.9	-170.9	174	178.1	-177.2	0	109.8	K168 Q180	K168-K178 PolarHBondContact N-O 3.24Å; K168-K178 PolarHBondContact O-N 3.33Å; K178-Q180 HydrophobicContact CG-CG 4.25Å
179	T	85.5	Confident	83.3	Confident	71 Å²	71	77 Å²	77	44%	0.436	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.9	172.8	-46.6	0	0	0	0	109.7	N167	N167-T179 WeakPolarHBondContact OD1-CA 3.18Å; N167-T179 WeakPolarHBondContact OD1-CB 3.15Å; N167-T179 WeakPolarHBondContact OD1-CG2 3.36Å; N167-T179 PolarHBondContact OD1-OG1 2.79Å
180	Q	87.6	Confident	83.7	Confident	59 Å²	59	76.6 Å²	76.6	28%	0.276	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.7	176.8	-63.7	175.8	26.7	0	0	109.9	T165 L166 K178 Y221	T165-Q180 CarbonylContact C-O 3.54Å; T165-Q180 WeakPolarHBondContact CA-O 3.23Å; L166-Q180 PolarHBondContact N-O 2.93Å; L166-Q180 PolarHBondContact O-N 3.01Å; K178-Q180 HydrophobicContact CG-CG 4.25Å; Q180-Y221 PolarHBondContact OE1-OH 3.41Å
181	I	88.6	Confident	84.1	Confident	67 Å²	67	74.8 Å²	74.8	34%	0.344	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	118	172.2	-58.4	169.3	0	0	0	107.4	T165 K184	T165-I181 HydrophobicContact CG2-CG1 4.27Å; I181-K184 HydrophobicContact CG2-CG 3.82Å
182	L	86.8	Confident	84.5	Confident	22 Å²	22	75.6 Å²	75.6	12%	0.115	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-42	-179	-176.2	70.5	0	0	0	111.7	V164 L166 L203 Y214 Y221	V164-L182 HydrophobicContact CG1-CB 4.46Å; V164-L182 HydrophobicContact CG1-CD2 4.35Å; V164-L182 PolarHBondContact O-N 2.85Å; L166-L182 HydrophobicContact CB-CB 4.3Å; L166-L182 HydrophobicContact CD2-CD1 4.5Å; L182-L203 HydrophobicContact CD2-CD2 3.53Å; L182-Y214 HydrophobicContact CD1-CD1 3.94Å; L182-Y214 HydrophobicContact CD1-CE1 4.39Å; L182-Y214 HydrophobicContact CD2-CD1 4.1Å; L182-Y214 HydrophobicContact CD2-CD2 4.32Å; L182-Y214 HydrophobicContact CD2-CG 3.94Å; L182-Y214 HydrophobicContact CG-CD1 3.92Å; L182-Y214 HydrophobicContact CG-CE1 4.11Å; L182-Y214 HydrophobicContact CG-CG 4.28Å; L182-Y221 HydrophobicContact CD1-CD1 4.2Å; L182-Y221 HydrophobicContact CD1-CD2 3.81Å; L182-Y221 HydrophobicContact CD1-CG 3.6Å
183	H	83.5	Confident	85	Confident	26 Å²	26	74.5 Å²	74.5	12%	0.12	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.8	-178.8	-176.7	73.4	0	0	0	110.1	G162 S163 V164 G185 Y214	G162-H183 PolarHBondContact O-CD2 2.92Å; G162-H183 VanDerWaalsContact O-CD2 3.29Å; S163-H183 CarbonylContact C-O 3.36Å; S163-H183 VanDerWaalsContact CA-O 3.31Å; S163-H183 WeakPolarHBondContact CA-O 3.39Å; V164-H183 HydrophobicContact CB-CB 4.17Å; V164-H183 HydrophobicContact CG2-CB 4.31Å; V164-H183 PolarHBondContact N-O 3.34Å; V164-H183 PolarHBondContact O-N 3.19Å; H183-G185 PolarHBondContact CD2-N 3.18Å; H183-G185 VanDerWaalsContact NE2-CA 3.31Å; H183-G185 WeakPolarHBondContact NE2-CA 3.26Å; H183-G185 PolarHBondContact NE2-N 3.41Å; H183-Y214 PolarHBondContact ND1-OH 3.11Å
184	K	83.9	Confident	85.5	Confident	148 Å²	148	67.7 Å²	67.7	64%	0.643	33%	0.329	S	S	*	.			trans	-123.1	114.3	163.9	-69.1	-170.1	174.5	-169	0	106.9	I181	I181-K184 HydrophobicContact CG2-CG 3.82Å
185	G	81.9	Confident	86.5	Confident	18 Å²	18	63.7 Å²	63.7	19%	0.186	31%	0.305	C	S	.	.			trans	-113.4	-178.2	178.8	0	0	0	0	0	111.5	D161 G162 H183	D161-G185 CarbonylContact O-C 3.53Å; G162-G185 PolarHBondContact O-N 3.35Å; G162-G185 VanDerWaalsContact O-N 3.11Å; H183-G185 PolarHBondContact CD2-N 3.18Å; H183-G185 VanDerWaalsContact NE2-CA 3.31Å; H183-G185 WeakPolarHBondContact NE2-CA 3.26Å; H183-G185 PolarHBondContact NE2-N 3.41Å
186	N	86.1	Confident	87.5	Confident	149 Å²	149	57 Å²	57	80%	0.797	28%	0.284	S	S	*	.	S	Bend	trans	-111.7	-9.6	171.9	-63.7	-25.2	0	0	0	112.3
187	Y	91.6	Very high	88.5	Confident	93 Å²	93	51.8 Å²	51.8	37%	0.365	27%	0.266	S	S	.	.	S	Bend	trans	-114.6	136.1	-173.1	-63.2	-71.3	0	0	0	109.9	G162 V189 E209	G162-Y187 WeakPolarHBondContact CA-O 3.41Å; Y187-V189 PolarHBondContact O-N 3.46Å; Y187-E209 HydrophobicContact CD1-CG 3.94Å; Y187-E209 HydrophobicContact CD2-CB 4.29Å; Y187-E209 HydrophobicContact CD2-CG 4.49Å; Y187-E209 HydrophobicContact CE1-CG 3.92Å; Y187-E209 WeakPolarHBondContact CE1-OE1 3.41Å; Y187-E209 WeakPolarHBondContact CE1-OE2 3.47Å; Y187-E209 HydrophobicContact CE2-CB 4.42Å; Y187-E209 HydrophobicContact CE2-CG 4.48Å; Y187-E209 WeakPolarHBondContact CE2-OE2 3.42Å; Y187-E209 HydrophobicContact CG-CB 4.34Å; Y187-E209 HydrophobicContact CG-CG 4.22Å; Y187-E209 PolarHBondContact OH-OE1 3.49Å; Y187-E209 PolarHBondContact OH-OE2 2.87Å
188	P	93.1	Very high	88.9	Confident	50 Å²	50	53.9 Å²	53.9	33%	0.325	29%	0.292	S	S	.	.			trans	-53.5	133.2	-178.7	-24	30.9	0	0	0	112	T160 T190 T207 T208	T160-P188 WeakPolarHBondContact O-CA 3.23Å; T160-P188 WeakPolarHBondContact O-CG 3.34Å; P188-T190 PolarHBondContact O-N 3.19Å; P188-T207 WeakPolarHBondContact O-CA 3.45Å; P188-T207 WeakPolarHBondContact O-CB 3.49Å; P188-T208 HydrophobicContact CB-CG2 4.44Å; P188-T208 HydrophobicContact CG-CG2 4.48Å; P188-T208 PolarHBondContact O-N 2.86Å
189	V	95.1	Very high	89	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	122.7	173.7	-170.5	0	0	0	0	108.2	S144 C145 F159 V164 Y187 L192 V205 V206	S144-V189 WeakPolarHBondContact CB-O 3.18Å; S144-V189 PolarHBondContact OG-O 3.22Å; C145-V189 VanDerWaalsContact SG-CG1 3.51Å; F159-V189 PolarHBondContact O-N 3.19Å; V164-V189 HydrophobicContact CG2-CG1 4.28Å; V164-V189 HydrophobicContact CG2-CG2 3.73Å; Y187-V189 PolarHBondContact O-N 3.46Å; V189-L192 HydrophobicContact CG1-CD2 4.01Å; V189-L192 HydrophobicContact CG1-CG 4.06Å; V189-V205 HydrophobicContact CG1-CG1 4.01Å; V189-V206 CarbonylContact C-O 3.55Å; V189-V206 WeakPolarHBondContact CA-O 3.5Å; V189-V206 WeakPolarHBondContact CG1-O 3.26Å
190	T	94.3	Very high	89.2	Confident	7 Å²	7	56.3 Å²	56.3	4%	0.043	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-17.9	-175.5	55.1	0	0	0	0	113.6	P188 V206 T207 T208 C231 L233	P188-T190 PolarHBondContact O-N 3.19Å; T190-V206 PolarHBondContact N-O 3.44Å; T190-V206 PolarHBondContact OG1-O 2.97Å; T190-T207 PolarHBondContact OG1-O 2.99Å; T190-T208 HydrophobicContact CG2-CG2 3.73Å; T190-C231 VanDerWaalsContact CB-O 3.29Å; T190-C231 WeakPolarHBondContact CB-O 3.42Å; T190-C231 VanDerWaalsContact CG2-O 3.28Å; T190-C231 WeakPolarHBondContact CG2-O 3.45Å; T190-C231 PolarHBondContact OG1-O 3.43Å; T190-L233 HydrophobicContact CG2-CD2 4.24Å; T190-L233 HydrophobicContact CG2-CG 4.3Å
191	G	93.8	Very high	89.5	Confident	4 Å²	4	53.7 Å²	53.7	4%	0.041	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	142	179.9	0	0	0	0	0	113.1	V206 S236	G191-V206 PolarHBondContact N-O 3.34Å; G191-V206 PolarHBondContact O-N 3.09Å; G191-S236 WeakPolarHBondContact CA-OG 3.49Å
192	L	95.4	Very high	89.7	Confident	18 Å²	18	51 Å²	51	9%	0.094	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.7	173.9	-68	171.8	0	0	0	109.6	C145 T147 A156 G158 V164 V189 L203 F204 V205	C145-L192 VanDerWaalsContact SG-CD1 3.52Å; C145-L192 VanDerWaalsContact SG-CG 3.55Å; T147-L192 HydrophobicContact CG2-CB 3.5Å; T147-L192 VanDerWaalsContact CG2-CB 3.5Å; T147-L192 HydrophobicContact CG2-CD1 4.44Å; A156-L192 HydrophobicContact CB-CD1 4.14Å; G158-L192 VanDerWaalsContact N-CD1 3.35Å; V164-L192 HydrophobicContact CG1-CD2 4.22Å; V164-L192 HydrophobicContact CG2-CD2 4.37Å; V189-L192 HydrophobicContact CG1-CD2 4.01Å; V189-L192 HydrophobicContact CG1-CG 4.06Å; L192-L203 HydrophobicContact CB-CD1 4.47Å; L192-L203 HydrophobicContact CD2-CD1 4.35Å; L192-F204 WeakPolarHBondContact CA-O 3.37Å; L192-V205 HydrophobicContact CD2-CB 4.13Å; L192-V205 HydrophobicContact CD2-CG1 4.03Å; L192-V205 HydrophobicContact CD2-CG2 3.72Å
193	A	94.9	Very high	90.1	Very high	11 Å²	11	49.9 Å²	49.9	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	132.4	174	0	0	0	0	0	111.9	F204 F247	A193-F204 PolarHBondContact N-O 2.89Å; A193-F204 VanDerWaalsContact N-O 3.16Å; A193-F204 PolarHBondContact O-N 3.07Å; A193-F247 HydrophobicContact CB-CD2 3.66Å; A193-F247 HydrophobicContact CB-CE2 3.51Å
194	F	94	Very high	90.6	Very high	18 Å²	18	48.7 Å²	48.7	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	141.9	169.4	-74.2	-69.6	0	0	0	111.5	T147 H149 F154 A156 L166 T201 H202 L203 V216 L238	T147-F194 HydrophobicContact CG2-CD2 3.76Å; T147-F194 HydrophobicContact CG2-CE2 3.71Å; H149-F194 HydrophobicContact CB-CB 4.33Å; H149-F194 HydrophobicContact CB-CD2 3.82Å; H149-F194 HydrophobicContact CB-CE2 4.24Å; H149-F194 HydrophobicContact CB-CG 4Å; H149-F194 AromaticContact CD2-CG 3.87Å; F154-F194 HydrophobicContact CB-CE1 3.84Å; F154-F194 HydrophobicContact CB-CE2 4.14Å; F154-F194 HydrophobicContact CB-CZ 3.59Å; A156-F194 HydrophobicContact CB-CE2 4.08Å; A156-F194 HydrophobicContact CB-CZ 3.82Å; L166-F194 HydrophobicContact CD1-CE1 4.2Å; L166-F194 HydrophobicContact CD1-CZ 3.81Å; F194-T201 HydrophobicContact CD1-CG2 3.92Å; F194-H202 WeakPolarHBondContact CA-O 3.46Å; F194-L203 HydrophobicContact CD1-CB 4.02Å; F194-L203 HydrophobicContact CD1-CD1 3.88Å; F194-L203 HydrophobicContact CD1-CG 4.5Å; F194-L203 HydrophobicContact CD2-CD1 4.4Å; F194-L203 HydrophobicContact CE1-CB 3.87Å; F194-L203 HydrophobicContact CE1-CD1 3.76Å; F194-L203 HydrophobicContact CE1-CD2 4.29Å; F194-L203 HydrophobicContact CE1-CG 4.18Å; F194-L203 HydrophobicContact CE2-CD1 4.3Å; F194-L203 HydrophobicContact CG-CD1 4.21Å; F194-L203 HydrophobicContact CZ-CD1 3.97Å; F194-L203 HydrophobicContact CZ-CD2 4.48Å; F194-V216 HydrophobicContact CD1-CG2 4.49Å; F194-V216 HydrophobicContact CE1-CG2 4.12Å; F194-L238 WeakPolarHBondContact O-CD2 3.15Å
195	R	91.8	Very high	91.2	Very high	28 Å²	28	41.7 Å²	41.7	11%	0.106	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.7	168	175.5	-178.8	172.7	176.6	-11.7	110.2	T201 H202 F204 D244 L245	R195-T201 WeakPolarHBondContact O-CA 3.48Å; R195-H202 PolarHBondContact N-O 3.01Å; R195-H202 PolarHBondContact O-N 2.88Å; R195-F204 HydrophobicContact CB-CD2 4.44Å; R195-F204 HydrophobicContact CB-CE2 3.87Å; R195-D244 PolarHBondContact NH1-O 3.2Å; R195-D244 PolarHBondContact NH2-O 3.43Å; R195-L245 WeakPolarHBondContact CD-O 3.38Å; R195-L245 HydrophobicContact CG-CB 4.1Å; R195-L245 HydrophobicContact CG-CD1 4.31Å; R195-L245 PolarHBondContact NH1-O 2.84Å
196	Q	88.4	Confident	91.8	Very high	98 Å²	98	40.8 Å²	40.8	46%	0.458	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.3	172.9	-170.4	168.7	1.8	0	0	110.2	H149 G198	H149-Q196 PolarHBondContact CE1-OE1 2.61Å; Q196-G198 PolarHBondContact NE2-O 3.09Å
197	A	85.1	Confident	92.2	Very high	37 Å²	37	34.1 Å²	34.1	31%	0.306	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	94.5	174.6	0	0	0	0	0	108.7	K199 T200	A197-K199 PolarHBondContact O-N 3.45Å; A197-K199 VanDerWaalsContact O-N 3.12Å; A197-T200 PolarHBondContact N-O 3.38Å; A197-T200 PolarHBondContact O-N 3.31Å; A197-T200 VanDerWaalsContact O-N 3.1Å; A197-T200 PolarHBondContact O-OG1 3.05Å
198	G	84	Confident	92.2	Very high	67 Å²	67	32.7 Å²	32.7	69%	0.691	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	-114.3	-172.6	0	0	0	0	0	112.2	Q196	Q196-G198 PolarHBondContact NE2-O 3.09Å
199	K	84.3	Confident	92.1	Very high	204 Å²	204	34.3 Å²	34.3	89%	0.887	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-11	178.5	-66.6	-175.8	-179.6	178.4	0	113.6	A197 S217	A197-K199 PolarHBondContact O-N 3.45Å; A197-K199 VanDerWaalsContact O-N 3.12Å; K199-S217 PolarHBondContact O-OG 2.89Å
200	T	90.1	Very high	91.9	Very high	58 Å²	58	35.9 Å²	35.9	36%	0.356	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	134.3	178.9	56.1	0	0	0	0	110.3	A197 H202	A197-T200 PolarHBondContact N-O 3.38Å; A197-T200 PolarHBondContact O-N 3.31Å; A197-T200 VanDerWaalsContact O-N 3.1Å; A197-T200 PolarHBondContact O-OG1 3.05Å; T200-H202 PolarHBondContact OG1-NE2 2.82Å; T200-H202 VanDerWaalsContact OG1-NE2 3.1Å
201	T	92.2	Very high	91.9	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.025	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.1	172.4	-59.5	0	0	0	0	107.5	H149 F154 F194 R195 V216 S217	H149-T201 WeakPolarHBondContact CD2-CG2 3.29Å; F154-T201 HydrophobicContact CD2-CG2 4.29Å; F154-T201 HydrophobicContact CE2-CG2 4.41Å; F194-T201 HydrophobicContact CD1-CG2 3.92Å; R195-T201 WeakPolarHBondContact O-CA 3.48Å; T201-V216 HydrophobicContact CG2-CG2 3.43Å; T201-V216 VanDerWaalsContact CG2-CG2 3.43Å; T201-V216 WeakPolarHBondContact O-CG2 3.3Å; T201-V216 PolarHBondContact O-N 2.89Å; T201-S217 PolarHBondContact N-OG 3.46Å
202	H	93.3	Very high	91.9	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.046	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142	176.8	-61	-103	0	0	0	108.8	F194 R195 T200 Y214 P260	F194-H202 WeakPolarHBondContact CA-O 3.46Å; R195-H202 PolarHBondContact N-O 3.01Å; R195-H202 PolarHBondContact O-N 2.88Å; T200-H202 PolarHBondContact OG1-NE2 2.82Å; T200-H202 VanDerWaalsContact OG1-NE2 3.1Å; H202-Y214 CarbonylContact C-O 3.47Å; H202-Y214 VanDerWaalsContact CA-O 3.23Å; H202-Y214 WeakPolarHBondContact CA-O 3.28Å; H202-P260 HydrophobicContact CB-CB 4.28Å; H202-P260 WeakPolarHBondContact ND1-CB 3.34Å
203	L	94.9	Very high	91.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.4	171	174.9	65.2	0	0	0	108	T147 A156 V164 L182 L192 F194 V205 Y214 V216	T147-L203 HydrophobicContact CG2-CD1 4.08Å; A156-L203 HydrophobicContact CB-CD1 4.01Å; A156-L203 HydrophobicContact CB-CD2 3.69Å; V164-L203 HydrophobicContact CG1-CD2 4.5Å; L182-L203 HydrophobicContact CD2-CD2 3.53Å; L192-L203 HydrophobicContact CB-CD1 4.47Å; L192-L203 HydrophobicContact CD2-CD1 4.35Å; F194-L203 HydrophobicContact CD1-CB 4.02Å; F194-L203 HydrophobicContact CD1-CD1 3.88Å; F194-L203 HydrophobicContact CD1-CG 4.5Å; F194-L203 HydrophobicContact CD2-CD1 4.4Å; F194-L203 HydrophobicContact CE1-CB 3.87Å; F194-L203 HydrophobicContact CE1-CD1 3.76Å; F194-L203 HydrophobicContact CE1-CD2 4.29Å; F194-L203 HydrophobicContact CE1-CG 4.18Å; F194-L203 HydrophobicContact CE2-CD1 4.3Å; F194-L203 HydrophobicContact CG-CD1 4.21Å; F194-L203 HydrophobicContact CZ-CD1 3.97Å; F194-L203 HydrophobicContact CZ-CD2 4.48Å; L203-V205 HydrophobicContact CD2-CG2 4.23Å; L203-V205 HydrophobicContact CG-CG2 4.09Å; L203-Y214 PolarHBondContact N-O 3.16Å; L203-Y214 PolarHBondContact O-N 2.84Å; L203-V216 HydrophobicContact CB-CG1 3.84Å; L203-V216 HydrophobicContact CD2-CG1 4.49Å
204	F	95.3	Very high	91.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	134.1	168.5	-65.7	-78.2	0	0	0	109.4	L192 A193 R195 Q212 L226 F247 P260	L192-F204 WeakPolarHBondContact CA-O 3.37Å; A193-F204 PolarHBondContact N-O 2.89Å; A193-F204 VanDerWaalsContact N-O 3.16Å; A193-F204 PolarHBondContact O-N 3.07Å; R195-F204 HydrophobicContact CB-CD2 4.44Å; R195-F204 HydrophobicContact CB-CE2 3.87Å; F204-Q212 CarbonylContact C-O 3.54Å; F204-Q212 WeakPolarHBondContact CA-O 3.4Å; F204-L226 HydrophobicContact CD1-CD1 3.97Å; F204-L226 HydrophobicContact CE1-CD1 3.75Å; F204-F247 HydrophobicContact CB-CD1 3.73Å; F204-F247 HydrophobicContact CB-CD2 4.11Å; F204-F247 HydrophobicContact CB-CE1 3.83Å; F204-F247 HydrophobicContact CB-CE2 4.21Å; F204-F247 HydrophobicContact CB-CG 3.86Å; F204-F247 HydrophobicContact CB-CZ 4.06Å; F204-F247 HydrophobicContact CD1-CB 4.07Å; F204-F247 AromaticContact CD1-CD1 3.89Å; F204-F247 HydrophobicContact CD1-CD1 3.89Å; F204-F247 HydrophobicContact CD1-CG 4.12Å; F204-F247 HydrophobicContact CD2-CB 3.68Å; F204-F247 HydrophobicContact CD2-CD1 4.39Å; F204-F247 HydrophobicContact CD2-CD2 4.21Å; F204-F247 AromaticContact CD2-CG 3.84Å; F204-F247 HydrophobicContact CD2-CG 3.84Å; F204-F247 HydrophobicContact CE1-CB 4.12Å; F204-F247 HydrophobicContact CE2-CB 3.73Å; F204-F247 HydrophobicContact CE2-CG 4.39Å; F204-F247 HydrophobicContact CG-CB 3.84Å; F204-F247 AromaticContact CG-CD1 3.75Å; F204-F247 HydrophobicContact CG-CD1 3.75Å; F204-F247 HydrophobicContact CG-CD2 4.24Å; F204-F247 HydrophobicContact CG-CE1 4.36Å; F204-F247 AromaticContact CG-CG 3.67Å; F204-F247 HydrophobicContact CG-CG 3.67Å; F204-F247 HydrophobicContact CZ-CB 3.95Å; F204-P260 HydrophobicContact CZ-CB 4.29Å; F204-P260 HydrophobicContact CZ-CG 4.11Å
205	V	95.1	Very high	91.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122	176.9	-177.2	0	0	0	0	107.7	V164 V189 L192 L203 Q212 Y214	V164-V205 HydrophobicContact CG2-CG1 3.81Å; V164-V205 HydrophobicContact CG2-CG2 4.49Å; V189-V205 HydrophobicContact CG1-CG1 4.01Å; L192-V205 HydrophobicContact CD2-CB 4.13Å; L192-V205 HydrophobicContact CD2-CG1 4.03Å; L192-V205 HydrophobicContact CD2-CG2 3.72Å; L203-V205 HydrophobicContact CD2-CG2 4.23Å; L203-V205 HydrophobicContact CG-CG2 4.09Å; V205-Q212 PolarHBondContact N-O 2.87Å; V205-Q212 PolarHBondContact O-N 2.8Å; V205-Y214 HydrophobicContact CB-CD2 4.47Å; V205-Y214 HydrophobicContact CB-CE2 4.4Å; V205-Y214 HydrophobicContact CG2-CD2 3.73Å; V205-Y214 HydrophobicContact CG2-CE2 3.97Å
206	V	94.9	Very high	91.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.8	175.9	-173.8	0	0	0	0	108.7	V189 T190 G191 N210 V211 F247 V249	V189-V206 CarbonylContact C-O 3.55Å; V189-V206 WeakPolarHBondContact CA-O 3.5Å; V189-V206 WeakPolarHBondContact CG1-O 3.26Å; T190-V206 PolarHBondContact N-O 3.44Å; T190-V206 PolarHBondContact OG1-O 2.97Å; G191-V206 PolarHBondContact N-O 3.34Å; G191-V206 PolarHBondContact O-N 3.09Å; V206-N210 WeakPolarHBondContact CA-O 3.4Å; V206-V211 HydrophobicContact CG1-CG2 4.19Å; V206-V211 HydrophobicContact CG2-CG1 4.26Å; V206-V211 HydrophobicContact CG2-CG2 4.3Å; V206-F247 HydrophobicContact CG2-CD1 4.46Å; V206-F247 HydrophobicContact CG2-CE1 3.19Å; V206-F247 HydrophobicContact CG2-CZ 3.41Å; V206-F247 VanDerWaalsContact CG2-CZ 3.41Å; V206-V249 HydrophobicContact CG1-CG1 4.3Å; V206-V249 HydrophobicContact CG2-CG2 3.97Å
207	T	94.6	Very high	91.4	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.055	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-176.4	167.7	70	0	0	0	0	109.6	P188 T190 E209 N210 G230 C231	P188-T207 WeakPolarHBondContact O-CA 3.45Å; P188-T207 WeakPolarHBondContact O-CB 3.49Å; T190-T207 PolarHBondContact OG1-O 2.99Å; T207-E209 PolarHBondContact O-N 2.83Å; T207-E209 PolarHBondContact OG1-N 2.78Å; T207-N210 PolarHBondContact N-O 2.89Å; T207-N210 PolarHBondContact OG1-N 3.08Å; T207-N210 PolarHBondContact OG1-O 2.91Å; T207-G230 WeakPolarHBondContact O-CA 3.42Å; T207-C231 PolarHBondContact O-N 3.42Å
208	T	92.3	Very high	91	Very high	62 Å²	62	32.2 Å²	32.2	38%	0.38	19%	0.189	S	C	.	.	S	Bend	trans	-61.5	-22.4	170.6	53.4	0	0	0	0	113	P188 T190	P188-T208 HydrophobicContact CB-CG2 4.44Å; P188-T208 HydrophobicContact CG-CG2 4.48Å; P188-T208 PolarHBondContact O-N 2.86Å; T190-T208 HydrophobicContact CG2-CG2 3.73Å
209	E	90.5	Very high	90.5	Very high	84 Å²	84	38 Å²	38	39%	0.393	20%	0.196	S	C	.	.	S	Bend	trans	-119.2	-31	-175.2	-65.5	-162.9	-179.4	0	0	114.4	Y187 T207 T228 H229 G230	Y187-E209 HydrophobicContact CD1-CG 3.94Å; Y187-E209 HydrophobicContact CD2-CB 4.29Å; Y187-E209 HydrophobicContact CD2-CG 4.49Å; Y187-E209 HydrophobicContact CE1-CG 3.92Å; Y187-E209 WeakPolarHBondContact CE1-OE1 3.41Å; Y187-E209 WeakPolarHBondContact CE1-OE2 3.47Å; Y187-E209 HydrophobicContact CE2-CB 4.42Å; Y187-E209 HydrophobicContact CE2-CG 4.48Å; Y187-E209 WeakPolarHBondContact CE2-OE2 3.42Å; Y187-E209 HydrophobicContact CG-CB 4.34Å; Y187-E209 HydrophobicContact CG-CG 4.22Å; Y187-E209 PolarHBondContact OH-OE1 3.49Å; Y187-E209 PolarHBondContact OH-OE2 2.87Å; T207-E209 PolarHBondContact O-N 2.83Å; T207-E209 PolarHBondContact OG1-N 2.78Å; E209-T228 CarbonylContact O-C 3.47Å; E209-H229 CarbonylContact O-C 3.59Å; E209-H229 VanDerWaalsContact O-C 3.32Å; E209-H229 VanDerWaalsContact O-CA 3.22Å; E209-H229 WeakPolarHBondContact O-CA 3.46Å; E209-H229 PolarHBondContact O-N 2.79Å; E209-G230 PolarHBondContact O-N 3.39Å
210	N	92	Very high	90.2	Very high	34 Å²	34	35.5 Å²	35.5	18%	0.182	19%	0.192	C	C	.	.			trans	-128.9	155	-170.1	-59	40.3	0	0	0	112.1	V206 T207 E225 D227	V206-N210 WeakPolarHBondContact CA-O 3.4Å; T207-N210 PolarHBondContact N-O 2.89Å; T207-N210 PolarHBondContact OG1-N 3.08Å; T207-N210 PolarHBondContact OG1-O 2.91Å; N210-E225 PolarHBondContact ND2-OE1 2.76Å; N210-D227 WeakPolarHBondContact CA-O 3.33Å
211	V	93.9	Very high	90.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.3	171.6	-177.1	0	0	0	0	108.6	V206 L226 D227 H229 V249 Y258	V206-V211 HydrophobicContact CG1-CG2 4.19Å; V206-V211 HydrophobicContact CG2-CG1 4.26Å; V206-V211 HydrophobicContact CG2-CG2 4.3Å; V211-L226 HydrophobicContact CB-CB 4.49Å; V211-L226 HydrophobicContact CG1-CB 4.23Å; V211-L226 HydrophobicContact CG1-CD1 4.28Å; V211-L226 PolarHBondContact O-N 3.43Å; V211-D227 HydrophobicContact CB-CB 4.29Å; V211-D227 HydrophobicContact CG2-CB 4.43Å; V211-D227 PolarHBondContact N-O 2.85Å; V211-D227 PolarHBondContact O-N 2.74Å; V211-H229 WeakPolarHBondContact CG2-O 3.48Å; V211-V249 HydrophobicContact CG1-CG2 4.4Å; V211-V249 HydrophobicContact CG2-CG1 4.27Å; V211-V249 HydrophobicContact CG2-CG2 4.06Å; V211-Y258 HydrophobicContact CG1-CD1 4.44Å; V211-Y258 HydrophobicContact CG1-CD2 4.15Å; V211-Y258 HydrophobicContact CG1-CE1 4.45Å; V211-Y258 HydrophobicContact CG1-CE2 4.14Å; V211-Y258 HydrophobicContact CG1-CG 4.29Å; V211-Y258 HydrophobicContact CG2-CE2 4.23Å
212	Q	93.9	Very high	89.9	Confident	19 Å²	19	37.3 Å²	37.3	9%	0.089	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.7	-175.4	-64.1	178.4	-13.6	0	0	111	F204 V205 Y214 V224	F204-Q212 CarbonylContact C-O 3.54Å; F204-Q212 WeakPolarHBondContact CA-O 3.4Å; V205-Q212 PolarHBondContact N-O 2.87Å; V205-Q212 PolarHBondContact O-N 2.8Å; Q212-Y214 HydrophobicContact CB-CE2 4.1Å; Q212-V224 CarbonylContact C-O 3.32Å; Q212-V224 WeakPolarHBondContact CA-O 3.3Å
213	S	93.9	Very high	89.7	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.4	176.5	168.5	0	0	0	0	109.7	R223 V224 P260	S213-R223 CarbonylContact O-C 3.47Å; S213-R223 WeakPolarHBondContact O-CA 3.25Å; S213-V224 PolarHBondContact N-O 2.99Å; S213-V224 PolarHBondContact O-N 2.9Å; S213-P260 VanDerWaalsContact CB-O 3.26Å; S213-P260 WeakPolarHBondContact CB-O 3.28Å; S213-P260 PolarHBondContact OG-O 2.84Å
214	Y	93.3	Very high	89.6	Confident	7 Å²	7	47.4 Å²	47.4	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.4	-179.2	-77.8	-93.5	0	0	0	110.9	L182 H183 H202 L203 V205 Q212 V216 R223	L182-Y214 HydrophobicContact CD1-CD1 3.94Å; L182-Y214 HydrophobicContact CD1-CE1 4.39Å; L182-Y214 HydrophobicContact CD2-CD1 4.1Å; L182-Y214 HydrophobicContact CD2-CD2 4.32Å; L182-Y214 HydrophobicContact CD2-CG 3.94Å; L182-Y214 HydrophobicContact CG-CD1 3.92Å; L182-Y214 HydrophobicContact CG-CE1 4.11Å; L182-Y214 HydrophobicContact CG-CG 4.28Å; H183-Y214 PolarHBondContact ND1-OH 3.11Å; H202-Y214 CarbonylContact C-O 3.47Å; H202-Y214 VanDerWaalsContact CA-O 3.23Å; H202-Y214 WeakPolarHBondContact CA-O 3.28Å; L203-Y214 PolarHBondContact N-O 3.16Å; L203-Y214 PolarHBondContact O-N 2.84Å; V205-Y214 HydrophobicContact CB-CD2 4.47Å; V205-Y214 HydrophobicContact CB-CE2 4.4Å; V205-Y214 HydrophobicContact CG2-CD2 3.73Å; V205-Y214 HydrophobicContact CG2-CE2 3.97Å; Q212-Y214 HydrophobicContact CB-CE2 4.1Å; Y214-V216 PolarHBondContact O-N 2.81Å; Y214-R223 HydrophobicContact CD1-CB 3.96Å; Y214-R223 HydrophobicContact CE1-CB 3.61Å; Y214-R223 HydrophobicContact CE2-CB 4.49Å
215	I	92.8	Very high	89.4	Confident	39 Å²	39	52.7 Å²	52.7	20%	0.2	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	100.7	174.1	-45.7	-175.5	0	0	0	109.6	Y221 P222	I215-Y221 WeakPolarHBondContact O-CA 3.42Å; I215-P222 HydrophobicContact CB-CG 3.79Å; I215-P222 HydrophobicContact CD1-CG 3.93Å; I215-P222 HydrophobicContact CG1-CG 3.96Å; I215-P222 PolarHBondContact N-O 2.95Å
216	V	90.2	Very high	89.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-10	-173	-59.9	0	0	0	0	114.6	F154 L166 F194 T201 L203 Y214 G218	F154-V216 HydrophobicContact CD1-CG2 4.29Å; F154-V216 HydrophobicContact CE1-CB 4.38Å; F154-V216 HydrophobicContact CE1-CG2 4.21Å; F154-V216 HydrophobicContact CE2-CG2 4.49Å; F154-V216 HydrophobicContact CG-CG2 4.45Å; F154-V216 HydrophobicContact CZ-CG2 4.31Å; L166-V216 HydrophobicContact CD2-CB 4.05Å; L166-V216 HydrophobicContact CD2-CG1 3.85Å; F194-V216 HydrophobicContact CD1-CG2 4.49Å; F194-V216 HydrophobicContact CE1-CG2 4.12Å; T201-V216 HydrophobicContact CG2-CG2 3.43Å; T201-V216 VanDerWaalsContact CG2-CG2 3.43Å; T201-V216 WeakPolarHBondContact O-CG2 3.3Å; T201-V216 PolarHBondContact O-N 2.89Å; L203-V216 HydrophobicContact CB-CG1 3.84Å; L203-V216 HydrophobicContact CD2-CG1 4.49Å; Y214-V216 PolarHBondContact O-N 2.81Å; V216-G218 VanDerWaalsContact C-N 3.34Å
217	S	83.8	Confident	89	Confident	50 Å²	50	54.3 Å²	54.3	35%	0.35	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-26.1	174	-60.9	0	0	0	0	113.3	K199 T201	K199-S217 PolarHBondContact O-OG 2.89Å; T201-S217 PolarHBondContact N-OG 3.46Å
218	G	75.3	Confident	88.7	Confident	28 Å²	28	58 Å²	58	29%	0.289	30%	0.299	S	S	.	.	S	Bend	trans	-77.2	171.3	179.4	0	0	0	0	0	113.6	V216 Y221	V216-G218 VanDerWaalsContact C-N 3.34Å; G218-Y221 WeakPolarHBondContact O-CE1 3.46Å
219	K	73.9	Confident	88.4	Confident	190 Å²	190	60.3 Å²	60.3	83%	0.826	31%	0.305	S	S	*	.	S	Bend	trans	-81.9	-31.9	172.7	-74.3	-174.6	178.4	179	0	112.9
220	D	79	Confident	88.3	Confident	151 Å²	151	56.9 Å²	56.9	81%	0.807	29%	0.293	S	S	*	.	S	Bend	trans	-101.3	4.7	-172.7	-54.6	-44.8	0	0	0	114
221	Y	87.1	Confident	88.3	Confident	36 Å²	36	55.6 Å²	55.6	14%	0.141	29%	0.287	C	S	.	.			trans	42	60.5	178.3	-48.6	-56.2	0	0	0	114.3	L166 Q180 L182 I215 G218 R223	L166-Y221 HydrophobicContact CD2-CE1 4.22Å; Q180-Y221 PolarHBondContact OE1-OH 3.41Å; L182-Y221 HydrophobicContact CD1-CD1 4.2Å; L182-Y221 HydrophobicContact CD1-CD2 3.81Å; L182-Y221 HydrophobicContact CD1-CG 3.6Å; I215-Y221 WeakPolarHBondContact O-CA 3.42Å; G218-Y221 WeakPolarHBondContact O-CE1 3.46Å; Y221-R223 PolarHBondContact O-N 3.34Å
222	P	88.4	Confident	88.2	Confident	64 Å²	64	57.6 Å²	57.6	42%	0.416	31%	0.307	S	S	.	.			trans	-58	136	-176.7	25.9	-34	0	0	0	110.3	I215	I215-P222 HydrophobicContact CB-CG 3.79Å; I215-P222 HydrophobicContact CD1-CG 3.93Å; I215-P222 HydrophobicContact CG1-CG 3.96Å; I215-P222 PolarHBondContact N-O 2.95Å
223	R	89.2	Confident	88	Confident	172 Å²	172	61.6 Å²	61.6	65%	0.649	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.9	-177.8	75.6	179.7	-177.1	-176.8	0.4	110.8	S213 Y214 Y221	S213-R223 CarbonylContact O-C 3.47Å; S213-R223 WeakPolarHBondContact O-CA 3.25Å; Y214-R223 HydrophobicContact CD1-CB 3.96Å; Y214-R223 HydrophobicContact CE1-CB 3.61Å; Y214-R223 HydrophobicContact CE2-CB 4.49Å; Y221-R223 PolarHBondContact O-N 3.34Å
224	V	91.5	Very high	87.8	Confident	49 Å²	49	66.1 Å²	66.1	30%	0.297	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.2	171.3	-176.8	0	0	0	0	107.5	Q212 S213 L226	Q212-V224 CarbonylContact C-O 3.32Å; Q212-V224 WeakPolarHBondContact CA-O 3.3Å; S213-V224 PolarHBondContact N-O 2.99Å; S213-V224 PolarHBondContact O-N 2.9Å; V224-L226 HydrophobicContact CG1-CD2 3.97Å
225	E	91.4	Very high	87.8	Confident	112 Å²	112	66 Å²	66	52%	0.523	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.8	173	-175.2	163.4	-151.1	0	0	108.8	N210	N210-E225 PolarHBondContact ND2-OE1 2.76Å
226	L	91.1	Very high	87.8	Confident	19 Å²	19	65.2 Å²	65.2	10%	0.099	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-36.4	-171.7	-64	173.9	0	0	0	112.3	F204 V211 V224 Y258	F204-L226 HydrophobicContact CD1-CD1 3.97Å; F204-L226 HydrophobicContact CE1-CD1 3.75Å; V211-L226 HydrophobicContact CB-CB 4.49Å; V211-L226 HydrophobicContact CG1-CB 4.23Å; V211-L226 HydrophobicContact CG1-CD1 4.28Å; V211-L226 PolarHBondContact O-N 3.43Å; V224-L226 HydrophobicContact CG1-CD2 3.97Å; L226-Y258 HydrophobicContact CB-CD1 3.84Å; L226-Y258 HydrophobicContact CB-CE1 4.1Å; L226-Y258 HydrophobicContact CD1-CD1 4.24Å; L226-Y258 HydrophobicContact CD1-CG 4.45Å
227	D	90.1	Very high	88	Confident	15 Å²	15	65.8 Å²	65.8	8%	0.08	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	158	175.8	-152.4	-12.2	0	0	0	111.7	N210 V211 H229 Y258 R263	N210-D227 WeakPolarHBondContact CA-O 3.33Å; V211-D227 HydrophobicContact CB-CB 4.29Å; V211-D227 HydrophobicContact CG2-CB 4.43Å; V211-D227 PolarHBondContact N-O 2.85Å; V211-D227 PolarHBondContact O-N 2.74Å; D227-H229 IonicContact OD1-CD2 2.67Å; D227-Y258 HydrophobicContact CB-CE1 3.81Å; D227-Y258 WeakPolarHBondContact CB-OH 3.2Å; D227-Y258 PolarHBondContact OD2-OH 3.48Å; D227-R263 IonicContact OD1-NH2 3.21Å; D227-R263 IonicContact OD2-CZ 2.72Å; D227-R263 IonicContact OD2-NE 3.36Å; D227-R263 PolarHBondContact OD2-NE 3.48Å; D227-R263 VanDerWaalsContact OD2-NE 3.09Å; D227-R263 IonicContact OD2-NH1 3.11Å; D227-R263 IonicContact OD2-NH2 3.82Å; D227-R263 PolarHBondContact OD2-NH2 3.28Å
228	T	89	Confident	88.4	Confident	87 Å²	87	65.8 Å²	65.8	53%	0.534	34%	0.344	S	S	.	.	S	Bend	trans	-103	24.6	173.5	63	0	0	0	0	111.6	E209	E209-T228 CarbonylContact O-C 3.47Å
229	H	86.4	Confident	89.2	Confident	110 Å²	110	64.7 Å²	64.7	51%	0.509	33%	0.332	S	S	.	.			trans	-128.6	107.8	172.5	-64.4	-66.7	0	0	0	110.4	E209 V211 D227	E209-H229 CarbonylContact O-C 3.59Å; E209-H229 VanDerWaalsContact O-C 3.32Å; E209-H229 VanDerWaalsContact O-CA 3.22Å; E209-H229 WeakPolarHBondContact O-CA 3.46Å; E209-H229 PolarHBondContact O-N 2.79Å; V211-H229 WeakPolarHBondContact CG2-O 3.48Å; D227-H229 IonicContact OD1-CD2 2.67Å
230	G	88	Confident	89.7	Confident	13 Å²	13	57.4 Å²	57.4	13%	0.134	30%	0.302	C	S	.	.			trans	-84.8	-163.5	178.6	0	0	0	0	0	113.7	T207 E209	T207-G230 WeakPolarHBondContact O-CA 3.42Å; E209-G230 PolarHBondContact O-N 3.39Å
231	C	92.6	Very high	89.9	Confident	7 Å²	7	55.1 Å²	55.1	5%	0.047	30%	0.296	C	S	.	.			trans	-141.6	165	173.3	69.7	0	0	0	0	112.4	T190 T207 C235 V249 A250	T190-C231 VanDerWaalsContact CB-O 3.29Å; T190-C231 WeakPolarHBondContact CB-O 3.42Å; T190-C231 VanDerWaalsContact CG2-O 3.28Å; T190-C231 WeakPolarHBondContact CG2-O 3.45Å; T190-C231 PolarHBondContact OG1-O 3.43Å; T207-C231 PolarHBondContact O-N 3.42Å; C231-C235 HydrophobicContact CB-CB 3.84Å; C231-V249 HydrophobicContact CB-CG1 3.56Å; C231-A250 WeakPolarHBondContact CB-O 3.39Å
232	G	90.9	Very high	89.6	Confident	41 Å²	41	57.2 Å²	57.2	42%	0.423	32%	0.315	S	S	.	.			trans	-65.2	169.4	168.4	0	0	0	0	0	112.6	C235	G232-C235 WeakPolarHBondContact O-CB 3.29Å; G232-C235 PolarHBondContact O-N 2.8Å
233	L	89.4	Confident	89.1	Confident	103 Å²	103	57.1 Å²	57.1	54%	0.539	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	141.7	173.7	-71.7	164.1	0	0	0	110.2	T190 C235	T190-L233 HydrophobicContact CG2-CD2 4.24Å; T190-L233 HydrophobicContact CG2-CG 4.3Å; L233-C235 PolarHBondContact O-N 3.24Å; L233-C235 VanDerWaalsContact O-N 3.09Å
234	R	89.4	Confident	88.8	Confident	96 Å²	96	54 Å²	54	36%	0.362	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	10.5	177.3	-40.6	-176.2	70.7	162	23.9	115.5	S236 I275 A276 V331 D332	R234-S236 VanDerWaalsContact C-N 3.34Å; R234-I275 WeakPolarHBondContact O-CA 3.24Å; R234-A276 PolarHBondContact O-N 3.11Å; R234-V331 PolarHBondContact NH1-O 3.45Å; R234-D332 IonicContact CZ-OD1 2.72Å; R234-D332 IonicContact CZ-OD2 3.53Å; R234-D332 IonicContact NH1-OD1 3.87Å; R234-D332 IonicContact NH2-OD1 2.86Å; R234-D332 PolarHBondContact NH2-OD1 3.07Å; R234-D332 IonicContact NH2-OD2 3.25Å; R234-D332 PolarHBondContact NH2-OD2 3.05Å
235	C	93.5	Very high	88.6	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.02	30%	0.302	C	S	.	.			trans	-96.7	17.2	176.5	-67.4	0	0	0	0	112.8	C231 G232 L233 A250 L274	C231-C235 HydrophobicContact CB-CB 3.84Å; G232-C235 WeakPolarHBondContact O-CB 3.29Å; G232-C235 PolarHBondContact O-N 2.8Å; L233-C235 PolarHBondContact O-N 3.24Å; L233-C235 VanDerWaalsContact O-N 3.09Å; C235-A250 HydrophobicContact CB-CB 4.23Å; C235-A250 WeakPolarHBondContact CB-O 3.44Å; C235-A250 WeakPolarHBondContact O-CB 3.34Å; C235-A250 PolarHBondContact O-N 2.97Å; C235-L274 VanDerWaalsContact SG-C 3.57Å; C235-L274 PolarHBondContact SG-O 2.9Å
236	S	94.4	Very high	88.6	Confident	23 Å²	23	50 Å²	50	16%	0.161	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.2	175.4	65.3	0	0	0	0	111.6	G191 R234 I248	G191-S236 WeakPolarHBondContact CA-OG 3.49Å; R234-S236 VanDerWaalsContact C-N 3.34Å; S236-I248 CarbonylContact C-O 3.5Å; S236-I248 WeakPolarHBondContact CA-O 3.45Å
237	A	93.4	Very high	88.7	Confident	13 Å²	13	49.1 Å²	49.1	11%	0.107	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	160	177.3	0	0	0	0	0	111.1	I248 W278	A237-I248 PolarHBondContact N-O 3.44Å; A237-I248 WeakPolarHBondContact O-CA 3.49Å; A237-I248 WeakPolarHBondContact O-CB 3.4Å; A237-I248 PolarHBondContact O-N 3.1Å; A237-W278 HydrophobicContact CB-CB 4.45Å
238	L	92.3	Very high	88.9	Confident	50 Å²	50	48.4 Å²	48.4	26%	0.262	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.6	171.4	-165.2	71.7	0	0	0	109.1	F194 L245 F247 W278	F194-L238 WeakPolarHBondContact O-CD2 3.15Å; L238-L245 HydrophobicContact CD1-CB 4.48Å; L238-L245 WeakPolarHBondContact CD1-O 3.47Å; L238-L245 HydrophobicContact CD2-CB 4.44Å; L238-L245 HydrophobicContact CD2-CD2 4.14Å; L238-L245 HydrophobicContact CG-CB 4.42Å; L238-L245 HydrophobicContact CG-CD2 4.49Å; L238-F247 HydrophobicContact CD1-CB 4.07Å; L238-F247 HydrophobicContact CD1-CD2 4.16Å; L238-W278 WeakPolarHBondContact O-CB 3.48Å
239	S	91.3	Very high	89.2	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.028	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-67.6	168.2	172.3	79.2	0	0	0	0	111.1	Q243 L245 Q246	S239-Q243 PolarHBondContact OG-O 3.23Å; S239-Q243 VanDerWaalsContact OG-O 3.05Å; S239-L245 VanDerWaalsContact O-CD2 3.27Å; S239-L245 WeakPolarHBondContact O-CD2 3.4Å; S239-L245 WeakPolarHBondContact OG-CA 3.49Å; S239-L245 PolarHBondContact OG-N 2.85Å; S239-Q246 WeakPolarHBondContact CB-O 3.29Å; S239-Q246 PolarHBondContact N-O 3.03Å; S239-Q246 PolarHBondContact OG-N 3.09Å; S239-Q246 PolarHBondContact OG-O 2.77Å
240	D	85.7	Confident	89.5	Confident	37 Å²	37	39.1 Å²	39.1	20%	0.198	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-79.1	164.4	179	68.6	-48.3	0	0	0	111.4	S242 Q243 L245 W278	D240-S242 VanDerWaalsContact CG-OG 3.25Å; D240-S242 PolarHBondContact O-N 3.35Å; D240-S242 VanDerWaalsContact O-N 3.08Å; D240-S242 PolarHBondContact OD1-OG 2.94Å; D240-S242 WeakPolarHBondContact OD2-CB 3.27Å; D240-S242 PolarHBondContact OD2-OG 2.93Å; D240-Q243 CarbonylContact O-C 3.34Å; D240-Q243 PolarHBondContact O-N 3.06Å; D240-L245 PolarHBondContact O-N 2.9Å; D240-W278 VanDerWaalsContact N-CD1 3.31Å; D240-W278 PolarHBondContact OD1-NE1 3.3Å
241	P	82.8	Confident	89.6	Confident	104 Å²	104	39.4 Å²	39.4	68%	0.675	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-57.1	-24.7	179.2	-25.8	33.8	0	0	0	114.5	Q243 D244 L245	P241-Q243 PolarHBondContact O-N 3.23Å; P241-D244 PolarHBondContact O-N 3.21Å; P241-L245 HydrophobicContact CB-CD2 4.44Å; P241-L245 HydrophobicContact CG-CD2 3.98Å
242	S	79.8	Confident	89.1	Confident	79 Å²	79	41.4 Å²	41.4	55%	0.552	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-69.4	-19.9	177.7	81.1	0	0	0	0	113.7	D240	D240-S242 VanDerWaalsContact CG-OG 3.25Å; D240-S242 PolarHBondContact O-N 3.35Å; D240-S242 VanDerWaalsContact O-N 3.08Å; D240-S242 PolarHBondContact OD1-OG 2.94Å; D240-S242 WeakPolarHBondContact OD2-CB 3.27Å; D240-S242 PolarHBondContact OD2-OG 2.93Å
243	Q	78.8	Confident	88.7	Confident	63 Å²	63	44.3 Å²	44.3	29%	0.294	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-116	37.7	177.4	-61.6	-61.5	-47.5	0	0	111	S239 D240 P241 L245 Q246 W278	S239-Q243 PolarHBondContact OG-O 3.23Å; S239-Q243 VanDerWaalsContact OG-O 3.05Å; D240-Q243 CarbonylContact O-C 3.34Å; D240-Q243 PolarHBondContact O-N 3.06Å; P241-Q243 PolarHBondContact O-N 3.23Å; Q243-L245 PolarHBondContact O-N 2.81Å; Q243-L245 VanDerWaalsContact O-N 3.11Å; Q243-Q246 WeakPolarHBondContact O-CG 3.36Å; Q243-Q246 PolarHBondContact O-N 2.79Å; Q243-W278 HydrophobicContact CB-CZ2 4.17Å; Q243-W278 HydrophobicContact CG-CH2 4.42Å; Q243-W278 HydrophobicContact CG-CZ2 3.84Å
244	D	83.3	Confident	88.7	Confident	106 Å²	106	40.8 Å²	40.8	57%	0.567	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	21.3	173.3	-64.9	-31.7	0	0	0	116.5	R195 P241 Q246	R195-D244 PolarHBondContact NH1-O 3.2Å; R195-D244 PolarHBondContact NH2-O 3.43Å; P241-D244 PolarHBondContact O-N 3.21Å; D244-Q246 PolarHBondContact O-N 2.79Å
245	L	86.9	Confident	88.8	Confident	43 Å²	43	36.2 Å²	36.2	23%	0.225	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	42.9	-178.3	-58.3	172.8	0	0	0	112	R195 L238 S239 D240 P241 Q243	R195-L245 WeakPolarHBondContact CD-O 3.38Å; R195-L245 HydrophobicContact CG-CB 4.1Å; R195-L245 HydrophobicContact CG-CD1 4.31Å; R195-L245 PolarHBondContact NH1-O 2.84Å; L238-L245 HydrophobicContact CD1-CB 4.48Å; L238-L245 WeakPolarHBondContact CD1-O 3.47Å; L238-L245 HydrophobicContact CD2-CB 4.44Å; L238-L245 HydrophobicContact CD2-CD2 4.14Å; L238-L245 HydrophobicContact CG-CB 4.42Å; L238-L245 HydrophobicContact CG-CD2 4.49Å; S239-L245 VanDerWaalsContact O-CD2 3.27Å; S239-L245 WeakPolarHBondContact O-CD2 3.4Å; S239-L245 WeakPolarHBondContact OG-CA 3.49Å; S239-L245 PolarHBondContact OG-N 2.85Å; D240-L245 PolarHBondContact O-N 2.9Å; P241-L245 HydrophobicContact CB-CD2 4.44Å; P241-L245 HydrophobicContact CG-CD2 3.98Å; Q243-L245 PolarHBondContact O-N 2.81Å; Q243-L245 VanDerWaalsContact O-N 3.11Å
246	Q	91.4	Very high	88.7	Confident	33 Å²	33	38.2 Å²	38.2	15%	0.154	22%	0.217	C	C	.	.			trans	-63.1	133.4	172	-74.2	175.6	9.4	0	0	110.3	S239 Q243 D244 L257 Q259	S239-Q246 WeakPolarHBondContact CB-O 3.29Å; S239-Q246 PolarHBondContact N-O 3.03Å; S239-Q246 PolarHBondContact OG-N 3.09Å; S239-Q246 PolarHBondContact OG-O 2.77Å; Q243-Q246 WeakPolarHBondContact O-CG 3.36Å; Q243-Q246 PolarHBondContact O-N 2.79Å; D244-Q246 PolarHBondContact O-N 2.79Å; Q246-L257 HydrophobicContact CB-CB 4.44Å; Q246-L257 HydrophobicContact CB-CD2 4.36Å; Q246-Q259 VanDerWaalsContact NE2-NE2 3.19Å
247	F	94	Very high	88.6	Confident	1 Å²	1	37.4 Å²	37.4	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.3	179.7	-179.1	-108.7	0	0	0	110.2	A193 F204 V206 L238 V249 L257 Y258	A193-F247 HydrophobicContact CB-CD2 3.66Å; A193-F247 HydrophobicContact CB-CE2 3.51Å; F204-F247 HydrophobicContact CB-CD1 3.73Å; F204-F247 HydrophobicContact CB-CD2 4.11Å; F204-F247 HydrophobicContact CB-CE1 3.83Å; F204-F247 HydrophobicContact CB-CE2 4.21Å; F204-F247 HydrophobicContact CB-CG 3.86Å; F204-F247 HydrophobicContact CB-CZ 4.06Å; F204-F247 HydrophobicContact CD1-CB 4.07Å; F204-F247 AromaticContact CD1-CD1 3.89Å; F204-F247 HydrophobicContact CD1-CD1 3.89Å; F204-F247 HydrophobicContact CD1-CG 4.12Å; F204-F247 HydrophobicContact CD2-CB 3.68Å; F204-F247 HydrophobicContact CD2-CD1 4.39Å; F204-F247 HydrophobicContact CD2-CD2 4.21Å; F204-F247 AromaticContact CD2-CG 3.84Å; F204-F247 HydrophobicContact CD2-CG 3.84Å; F204-F247 HydrophobicContact CE1-CB 4.12Å; F204-F247 HydrophobicContact CE2-CB 3.73Å; F204-F247 HydrophobicContact CE2-CG 4.39Å; F204-F247 HydrophobicContact CG-CB 3.84Å; F204-F247 AromaticContact CG-CD1 3.75Å; F204-F247 HydrophobicContact CG-CD1 3.75Å; F204-F247 HydrophobicContact CG-CD2 4.24Å; F204-F247 HydrophobicContact CG-CE1 4.36Å; F204-F247 AromaticContact CG-CG 3.67Å; F204-F247 HydrophobicContact CG-CG 3.67Å; F204-F247 HydrophobicContact CZ-CB 3.95Å; V206-F247 HydrophobicContact CG2-CD1 4.46Å; V206-F247 HydrophobicContact CG2-CE1 3.19Å; V206-F247 HydrophobicContact CG2-CZ 3.41Å; V206-F247 VanDerWaalsContact CG2-CZ 3.41Å; L238-F247 HydrophobicContact CD1-CB 4.07Å; L238-F247 HydrophobicContact CD1-CD2 4.16Å; F247-V249 HydrophobicContact CD1-CG2 3.96Å; F247-V249 HydrophobicContact CE1-CG2 3.53Å; F247-V249 HydrophobicContact CZ-CG2 4.34Å; F247-L257 CarbonylContact O-C 3.59Å; F247-L257 WeakPolarHBondContact O-CA 3.33Å; F247-Y258 HydrophobicContact CD1-CD2 4.46Å; F247-Y258 PolarHBondContact N-O 2.59Å; F247-Y258 WeakPolarHBondContact O-CD2 3.38Å; F247-Y258 PolarHBondContact O-N 3.45Å
248	I	94.4	Very high	88.6	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.2	-167.5	-53.5	171.7	0	0	0	108.4	S236 A237 V255 Y256 L257 W278 L283	S236-I248 CarbonylContact C-O 3.5Å; S236-I248 WeakPolarHBondContact CA-O 3.45Å; A237-I248 PolarHBondContact N-O 3.44Å; A237-I248 WeakPolarHBondContact O-CA 3.49Å; A237-I248 WeakPolarHBondContact O-CB 3.4Å; A237-I248 PolarHBondContact O-N 3.1Å; I248-V255 HydrophobicContact CG2-CG1 3.35Å; I248-Y256 WeakPolarHBondContact CA-O 3.45Å; I248-L257 HydrophobicContact CG1-CG 4.27Å; I248-W278 HydrophobicContact CD1-CD2 3.93Å; I248-W278 HydrophobicContact CD1-CE3 3.11Å; I248-W278 HydrophobicContact CD1-CH2 4.43Å; I248-W278 HydrophobicContact CD1-CZ3 3.42Å; I248-W278 VanDerWaalsContact CD1-CZ3 3.42Å; I248-L283 HydrophobicContact CD1-CD1 4.28Å; I248-L283 HydrophobicContact CG2-CD1 4.08Å
249	V	94.4	Very high	88.6	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	113.7	176.4	-178.3	0	0	0	0	108.2	V206 V211 C231 F247 V255 Y256 Y258	V206-V249 HydrophobicContact CG1-CG1 4.3Å; V206-V249 HydrophobicContact CG2-CG2 3.97Å; V211-V249 HydrophobicContact CG1-CG2 4.4Å; V211-V249 HydrophobicContact CG2-CG1 4.27Å; V211-V249 HydrophobicContact CG2-CG2 4.06Å; C231-V249 HydrophobicContact CB-CG1 3.56Å; F247-V249 HydrophobicContact CD1-CG2 3.96Å; F247-V249 HydrophobicContact CE1-CG2 3.53Å; F247-V249 HydrophobicContact CZ-CG2 4.34Å; V249-V255 WeakPolarHBondContact O-CA 3.42Å; V249-Y256 PolarHBondContact N-O 3.21Å; V249-Y256 PolarHBondContact O-N 3.5Å; V249-Y258 HydrophobicContact CB-CD2 4.36Å; V249-Y258 HydrophobicContact CB-CE2 3.77Å; V249-Y258 HydrophobicContact CG2-CD2 3.76Å; V249-Y258 HydrophobicContact CG2-CE2 3.54Å
250	A	93.1	Very high	88.4	Confident	2 Å²	2	36 Å²	36	2%	0.017	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	101.9	178.5	0	0	0	0	0	110.2	C231 C235 V255 K273 A276	C231-A250 WeakPolarHBondContact CB-O 3.39Å; C235-A250 HydrophobicContact CB-CB 4.23Å; C235-A250 WeakPolarHBondContact CB-O 3.44Å; C235-A250 WeakPolarHBondContact O-CB 3.34Å; C235-A250 PolarHBondContact O-N 2.97Å; A250-V255 HydrophobicContact CB-CG2 3.78Å; A250-K273 HydrophobicContact CB-CB 4.43Å; A250-K273 HydrophobicContact CB-CG 4.4Å; A250-A276 HydrophobicContact CB-CB 3.85Å
251	G	88.7	Confident	88.5	Confident	18 Å²	18	39.7 Å²	39.7	19%	0.186	22%	0.22	C	C	.	.			trans	-83.2	170.9	163.4	0	0	0	0	0	111.2	E253 C254 K273	G251-E253 VanDerWaalsContact C-N 3.34Å; G251-E253 PolarHBondContact O-N 2.95Å; G251-C254 CarbonylContact C-O 3.57Å; G251-C254 WeakPolarHBondContact CA-O 3.37Å; G251-C254 PolarHBondContact N-O 3.46Å; G251-K273 WeakPolarHBondContact O-CG 3.48Å
252	D	84	Confident	88.8	Confident	49 Å²	49	40.8 Å²	40.8	26%	0.262	22%	0.217	S	C	.	.	S	Bend	trans	-57.6	-43.4	-176.4	-85.5	-11.6	0	0	0	113.6	H272 K273 R290	D252-H272 WeakPolarHBondContact OD1-CA 3.47Å; D252-H272 IonicContact OD1-CD2 2.62Å; D252-H272 PolarHBondContact OD1-CD2 2.85Å; D252-H272 IonicContact OD1-CG 3.55Å; D252-H272 IonicContact OD1-NE2 2.68Å; D252-H272 IonicContact OD2-CD2 3.92Å; D252-H272 PolarHBondContact OD2-CD2 2.86Å; D252-K273 PolarHBondContact O-NZ 3.37Å; D252-K273 PolarHBondContact OD1-N 3.42Å; D252-R290 IonicContact OD2-CZ 3.55Å; D252-R290 IonicContact OD2-NH2 3.87Å; D252-R290 PolarHBondContact OD2-NH2 3.39Å
253	E	81.8	Confident	89.2	Confident	103 Å²	103	42.3 Å²	42.3	48%	0.481	21%	0.21	S	C	.	.	S	Bend	trans	-96.2	-29.7	-176.4	-56.4	-58.9	148.2	0	0	113.1	G251 A268 F269 R290	G251-E253 VanDerWaalsContact C-N 3.34Å; G251-E253 PolarHBondContact O-N 2.95Å; E253-A268 WeakPolarHBondContact O-CA 3.34Å; E253-F269 CarbonylContact C-O 2.78Å; E253-F269 PolarHBondContact O-N 2.82Å; E253-F269 VanDerWaalsContact O-O 3.12Å; E253-R290 IonicContact OE1-CZ 3.36Å; E253-R290 IonicContact OE1-NH1 3.06Å; E253-R290 PolarHBondContact OE1-NH1 2.79Å; E253-R290 IonicContact OE1-NH2 2.93Å
254	C	88.4	Confident	89.5	Confident	29 Å²	29	40.5 Å²	40.5	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.8	-170.2	-66.5	0	0	0	0	111.9	G251 Y256 F267	G251-C254 CarbonylContact C-O 3.57Å; G251-C254 WeakPolarHBondContact CA-O 3.37Å; G251-C254 PolarHBondContact N-O 3.46Å; C254-Y256 HydrophobicContact CB-CD2 4.37Å; C254-Y256 HydrophobicContact CB-CE1 4.44Å; C254-Y256 HydrophobicContact CB-CE2 3.68Å; C254-F267 CarbonylContact C-O 3.53Å; C254-F267 VanDerWaalsContact CA-O 3.3Å; C254-F267 WeakPolarHBondContact CA-O 3.42Å
255	V	91.9	Very high	89.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.9	166.2	176	0	0	0	0	108.7	I248 V249 A250 L257 C266 F267 F269 L283 I285	I248-V255 HydrophobicContact CG2-CG1 3.35Å; V249-V255 WeakPolarHBondContact O-CA 3.42Å; A250-V255 HydrophobicContact CB-CG2 3.78Å; V255-L257 HydrophobicContact CG1-CD1 4.47Å; V255-C266 WeakPolarHBondContact O-CA 3.45Å; V255-F267 PolarHBondContact N-O 3.5Å; V255-F267 PolarHBondContact O-N 3.44Å; V255-F269 HydrophobicContact CB-CD2 4.02Å; V255-F269 HydrophobicContact CB-CE2 4.01Å; V255-F269 HydrophobicContact CG2-CD2 3.53Å; V255-F269 HydrophobicContact CG2-CE2 3.89Å; V255-L283 HydrophobicContact CB-CD2 4.41Å; V255-L283 HydrophobicContact CG1-CD2 3.91Å; V255-L283 HydrophobicContact CG2-CD2 4.29Å; V255-I285 HydrophobicContact CG2-CD1 3.79Å
256	Y	92.5	Very high	89.9	Confident	44 Å²	44	40.1 Å²	40.1	17%	0.173	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	140	177.8	-63.7	-78.7	0	0	0	110.5	I248 V249 C254 Y258 R263 C266	I248-Y256 WeakPolarHBondContact CA-O 3.45Å; V249-Y256 PolarHBondContact N-O 3.21Å; V249-Y256 PolarHBondContact O-N 3.5Å; C254-Y256 HydrophobicContact CB-CD2 4.37Å; C254-Y256 HydrophobicContact CB-CE1 4.44Å; C254-Y256 HydrophobicContact CB-CE2 3.68Å; Y256-Y258 VanDerWaalsContact CB-CE2 3.46Å; Y256-Y258 WeakPolarHBondContact CB-OH 3.49Å; Y256-R263 PolarHBondContact OH-NH2 3.15Å; Y256-C266 HydrophobicContact CD1-CB 3.37Å; Y256-C266 HydrophobicContact CE1-CB 3.32Å; Y256-C266 HydrophobicContact CG-CB 4.41Å
257	L	92.6	Very high	89.8	Confident	6 Å²	6	40.4 Å²	40.4	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.1	173.3	-67	83	0	0	0	108.6	Q246 F247 I248 V255 G264 P265 F267 L316	Q246-L257 HydrophobicContact CB-CB 4.44Å; Q246-L257 HydrophobicContact CB-CD2 4.36Å; F247-L257 CarbonylContact O-C 3.59Å; F247-L257 WeakPolarHBondContact O-CA 3.33Å; I248-L257 HydrophobicContact CG1-CG 4.27Å; V255-L257 HydrophobicContact CG1-CD1 4.47Å; L257-G264 CarbonylContact O-C 3.53Å; L257-G264 WeakPolarHBondContact O-CA 3.5Å; L257-G264 PolarHBondContact O-N 3.02Å; L257-P265 HydrophobicContact CB-CG 4.23Å; L257-P265 HydrophobicContact CD1-CG 4.37Å; L257-P265 WeakPolarHBondContact CD1-O 3.39Å; L257-P265 PolarHBondContact N-O 2.98Å; L257-F267 HydrophobicContact CD1-CD2 3.58Å; L257-F267 HydrophobicContact CD1-CE2 3.56Å; L257-L316 HydrophobicContact CD1-CD1 4.37Å; L257-L316 HydrophobicContact CD2-CD1 4.18Å
258	Y	92.3	Very high	89.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.5	-174.4	-65.1	-81.8	0	0	0	111.7	V211 L226 D227 F247 V249 Y256 R263	V211-Y258 HydrophobicContact CG1-CD1 4.44Å; V211-Y258 HydrophobicContact CG1-CD2 4.15Å; V211-Y258 HydrophobicContact CG1-CE1 4.45Å; V211-Y258 HydrophobicContact CG1-CE2 4.14Å; V211-Y258 HydrophobicContact CG1-CG 4.29Å; V211-Y258 HydrophobicContact CG2-CE2 4.23Å; L226-Y258 HydrophobicContact CB-CD1 3.84Å; L226-Y258 HydrophobicContact CB-CE1 4.1Å; L226-Y258 HydrophobicContact CD1-CD1 4.24Å; L226-Y258 HydrophobicContact CD1-CG 4.45Å; D227-Y258 HydrophobicContact CB-CE1 3.81Å; D227-Y258 WeakPolarHBondContact CB-OH 3.2Å; D227-Y258 PolarHBondContact OD2-OH 3.48Å; F247-Y258 HydrophobicContact CD1-CD2 4.46Å; F247-Y258 PolarHBondContact N-O 2.59Å; F247-Y258 WeakPolarHBondContact O-CD2 3.38Å; F247-Y258 PolarHBondContact O-N 3.45Å; V249-Y258 HydrophobicContact CB-CD2 4.36Å; V249-Y258 HydrophobicContact CB-CE2 3.77Å; V249-Y258 HydrophobicContact CG2-CD2 3.76Å; V249-Y258 HydrophobicContact CG2-CE2 3.54Å; Y256-Y258 VanDerWaalsContact CB-CE2 3.46Å; Y256-Y258 WeakPolarHBondContact CB-OH 3.49Å; Y258-R263 HydrophobicContact CD1-CB 4.31Å; Y258-R263 HydrophobicContact CD1-CG 4.22Å; Y258-R263 HydrophobicContact CE1-CB 4.17Å; Y258-R263 HydrophobicContact CE1-CG 3.73Å
259	Q	91.6	Very high	89.2	Confident	30 Å²	30	44.3 Å²	44.3	14%	0.14	25%	0.247	C	C	.	.			trans	-100.9	167.6	163.7	-66	-73.6	-5.5	0	0	108.3	Q246 D261 E262	Q246-Q259 VanDerWaalsContact NE2-NE2 3.19Å; Q259-D261 PolarHBondContact O-N 3.14Å; Q259-E262 HydrophobicContact CB-CG 3.8Å; Q259-E262 HydrophobicContact CG-CG 4.3Å; Q259-E262 PolarHBondContact N-O 3.43Å; Q259-E262 VanDerWaalsContact O-O 3.12Å
260	P	88.4	Confident	88.6	Confident	8 Å²	8	51.2 Å²	51.2	5%	0.052	28%	0.279	C	S	.	.	S	Bend	trans	-65.8	-24.9	-172.5	-19.7	34.7	0	0	0	113.5	H202 F204 S213	H202-P260 HydrophobicContact CB-CB 4.28Å; H202-P260 WeakPolarHBondContact ND1-CB 3.34Å; F204-P260 HydrophobicContact CZ-CB 4.29Å; F204-P260 HydrophobicContact CZ-CG 4.11Å; S213-P260 VanDerWaalsContact CB-O 3.26Å; S213-P260 WeakPolarHBondContact CB-O 3.28Å; S213-P260 PolarHBondContact OG-O 2.84Å
261	D	88.3	Confident	88.1	Confident	114 Å²	114	51.7 Å²	51.7	61%	0.61	29%	0.285	S	S	*	.	S	Bend	trans	-115.4	-14.4	-174.4	-54.4	-42.1	0	0	0	113	Q259	Q259-D261 PolarHBondContact O-N 3.14Å
262	E	88.4	Confident	88.1	Confident	128 Å²	128	54.6 Å²	54.6	60%	0.598	29%	0.293	S	S	*	.	S	Bend	trans	-145.9	157.2	-173.9	66.9	175.1	-173.6	0	0	113.9	Q259	Q259-E262 HydrophobicContact CB-CG 3.8Å; Q259-E262 HydrophobicContact CG-CG 4.3Å; Q259-E262 PolarHBondContact N-O 3.43Å; Q259-E262 VanDerWaalsContact O-O 3.12Å
263	R	87.7	Confident	88.4	Confident	111 Å²	111	52.5 Å²	52.5	42%	0.419	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	121.9	169.5	-174.6	178.7	-167.4	-167.3	13.2	109.6	D227 Y256 Y258	D227-R263 IonicContact OD1-NH2 3.21Å; D227-R263 IonicContact OD2-CZ 2.72Å; D227-R263 IonicContact OD2-NE 3.36Å; D227-R263 PolarHBondContact OD2-NE 3.48Å; D227-R263 VanDerWaalsContact OD2-NE 3.09Å; D227-R263 IonicContact OD2-NH1 3.11Å; D227-R263 IonicContact OD2-NH2 3.82Å; D227-R263 PolarHBondContact OD2-NH2 3.28Å; Y256-R263 PolarHBondContact OH-NH2 3.15Å; Y258-R263 HydrophobicContact CD1-CB 4.31Å; Y258-R263 HydrophobicContact CD1-CG 4.22Å; Y258-R263 HydrophobicContact CE1-CB 4.17Å; Y258-R263 HydrophobicContact CE1-CG 3.73Å
264	G	85.8	Confident	88.9	Confident	24 Å²	24	49.5 Å²	49.5	25%	0.247	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-157.1	178.2	0	0	0	0	0	113.4	L257	L257-G264 CarbonylContact O-C 3.53Å; L257-G264 WeakPolarHBondContact O-CA 3.5Å; L257-G264 PolarHBondContact O-N 3.02Å
265	P	88.1	Confident	89.2	Confident	64 Å²	64	48.6 Å²	48.6	42%	0.416	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	154.6	-174.3	26.6	-33.3	0	0	0	112.9	L257 F267	L257-P265 HydrophobicContact CB-CG 4.23Å; L257-P265 HydrophobicContact CD1-CG 4.37Å; L257-P265 WeakPolarHBondContact CD1-O 3.39Å; L257-P265 PolarHBondContact N-O 2.98Å; P265-F267 HydrophobicContact CB-CE2 4.22Å; P265-F267 HydrophobicContact CB-CZ 4.47Å; P265-F267 HydrophobicContact CG-CE2 4.31Å
266	C	89.5	Confident	89.3	Confident	78 Å²	78	48.9 Å²	48.9	53%	0.527	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.4	174.8	72.7	0	0	0	0	111.7	V255 Y256	V255-C266 WeakPolarHBondContact O-CA 3.45Å; Y256-C266 HydrophobicContact CD1-CB 3.37Å; Y256-C266 HydrophobicContact CE1-CB 3.32Å; Y256-C266 HydrophobicContact CG-CB 4.41Å
267	F	90.4	Very high	89.4	Confident	38 Å²	38	49 Å²	49	17%	0.167	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.1	178.7	-61.8	-83.2	0	0	0	110.1	W7 C254 V255 L257 P265 F269 L316	W7-F267 HydrophobicContact CH2-CD1 4.2Å; W7-F267 AromaticContact CZ2-CD1 3.99Å; W7-F267 HydrophobicContact CZ2-CD1 3.99Å; C254-F267 CarbonylContact C-O 3.53Å; C254-F267 VanDerWaalsContact CA-O 3.3Å; C254-F267 WeakPolarHBondContact CA-O 3.42Å; V255-F267 PolarHBondContact N-O 3.5Å; V255-F267 PolarHBondContact O-N 3.44Å; L257-F267 HydrophobicContact CD1-CD2 3.58Å; L257-F267 HydrophobicContact CD1-CE2 3.56Å; P265-F267 HydrophobicContact CB-CE2 4.22Å; P265-F267 HydrophobicContact CB-CZ 4.47Å; P265-F267 HydrophobicContact CG-CE2 4.31Å; F267-F269 HydrophobicContact CB-CD2 4.24Å; F267-F269 HydrophobicContact CB-CE1 4.48Å; F267-F269 HydrophobicContact CB-CE2 3.53Å; F267-F269 HydrophobicContact CB-CZ 3.67Å; F267-F269 HydrophobicContact CG-CE2 4.47Å; F267-F269 HydrophobicContact CG-CZ 4.37Å; F267-L316 HydrophobicContact CD1-CD2 4.34Å; F267-L316 HydrophobicContact CD2-CD1 4.17Å; F267-L316 HydrophobicContact CD2-CD2 4.06Å; F267-L316 HydrophobicContact CE1-CD2 4.46Å; F267-L316 HydrophobicContact CE2-CB 4.28Å; F267-L316 HydrophobicContact CE2-CD1 3.88Å; F267-L316 HydrophobicContact CE2-CD2 4.19Å; F267-L316 HydrophobicContact CE2-CG 4.35Å; F267-L316 HydrophobicContact CG-CD2 4.13Å; F267-L316 HydrophobicContact CZ-CB 4.04Å; F267-L316 HydrophobicContact CZ-CD1 4.48Å; F267-L316 HydrophobicContact CZ-CD2 4.39Å
268	A	88.1	Confident	89.4	Confident	75 Å²	75	50 Å²	50	62%	0.62	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	124.5	176.6	0	0	0	0	0	110.5	E253	E253-A268 WeakPolarHBondContact O-CA 3.34Å
269	F	87.1	Confident	89.3	Confident	9 Å²	9	50.5 Å²	50.5	4%	0.039	27%	0.272	C	S	.	.			trans	-135.1	134.2	176.5	-61.2	-60.4	0	0	0	109.4	W7 E253 V255 F267 K273 L283 I285 Y314 L316	W7-F269 HydrophobicContact CD2-CE1 4.3Å; W7-F269 AromaticContact CE2-CE1 3.8Å; W7-F269 AromaticContact CH2-CE1 3.95Å; W7-F269 HydrophobicContact CH2-CE1 3.95Å; W7-F269 AromaticContact CH2-CZ 3.94Å; W7-F269 HydrophobicContact CH2-CZ 3.94Å; W7-F269 AromaticContact CZ2-CE1 3.63Å; W7-F269 HydrophobicContact CZ2-CE1 3.63Å; W7-F269 AromaticContact CZ2-CZ 3.91Å; W7-F269 HydrophobicContact CZ2-CZ 3.91Å; W7-F269 HydrophobicContact CZ3-CE1 4.38Å; E253-F269 CarbonylContact C-O 2.78Å; E253-F269 PolarHBondContact O-N 2.82Å; E253-F269 VanDerWaalsContact O-O 3.12Å; V255-F269 HydrophobicContact CB-CD2 4.02Å; V255-F269 HydrophobicContact CB-CE2 4.01Å; V255-F269 HydrophobicContact CG2-CD2 3.53Å; V255-F269 HydrophobicContact CG2-CE2 3.89Å; F267-F269 HydrophobicContact CB-CD2 4.24Å; F267-F269 HydrophobicContact CB-CE1 4.48Å; F267-F269 HydrophobicContact CB-CE2 3.53Å; F267-F269 HydrophobicContact CB-CZ 3.67Å; F267-F269 HydrophobicContact CG-CE2 4.47Å; F267-F269 HydrophobicContact CG-CZ 4.37Å; F269-K273 PolarHBondContact O-NZ 3.48Å; F269-L283 HydrophobicContact CE2-CD2 3.91Å; F269-I285 HydrophobicContact CD2-CD1 3.73Å; F269-I285 HydrophobicContact CE2-CD1 4.11Å; F269-I285 HydrophobicContact CG-CD1 4.29Å; F269-Y314 HydrophobicContact CD1-CD1 4.18Å; F269-Y314 AromaticContact CD1-CE1 3.64Å; F269-Y314 HydrophobicContact CD1-CE1 3.64Å; F269-Y314 HydrophobicContact CD1-CE2 4.29Å; F269-Y314 AromaticContact CD1-CZ 3.7Å; F269-Y314 AromaticContact CE1-CD1 3.53Å; F269-Y314 HydrophobicContact CE1-CD1 3.53Å; F269-Y314 HydrophobicContact CE1-CD2 4.4Å; F269-Y314 AromaticContact CE1-CE1 3.47Å; F269-Y314 HydrophobicContact CE1-CE1 3.47Å; F269-Y314 VanDerWaalsContact CE1-CE1 3.47Å; F269-Y314 HydrophobicContact CE1-CE2 4.34Å; F269-Y314 HydrophobicContact CE1-CG 4.01Å; F269-Y314 AromaticContact CE1-CZ 3.91Å; F269-Y314 HydrophobicContact CZ-CD1 4.06Å; F269-Y314 HydrophobicContact CZ-CD2 4.41Å; F269-Y314 HydrophobicContact CZ-CE1 4.35Å; F269-Y314 HydrophobicContact CZ-CG 4.1Å; F269-L316 HydrophobicContact CE2-CD2 4.33Å; F269-L316 HydrophobicContact CZ-CD2 3.78Å
270	E	81.4	Confident	89.1	Confident	145 Å²	145	56.2 Å²	56.2	68%	0.678	29%	0.292	S	S	*	.			trans	-78.1	158.7	-178.7	-64.1	179.5	175.9	0	0	112.8	K273	E270-K273 PolarHBondContact O-NZ 3.31Å
271	G	82.6	Confident	89.1	Confident	13 Å²	13	56.5 Å²	56.5	13%	0.134	30%	0.297	C	S	.	.	S	Bend	trans	95.3	151.4	174.5	0	0	0	0	0	114.6	K273	G271-K273 PolarHBondContact O-N 2.98Å; G271-K273 PolarHBondContact O-NZ 2.98Å
272	H	88.6	Confident	89.3	Confident	78 Å²	78	51.5 Å²	51.5	36%	0.361	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	122.1	176.4	178.2	-81.5	0	0	0	109.4	D252 S287 R288 R290	D252-H272 WeakPolarHBondContact OD1-CA 3.47Å; D252-H272 IonicContact OD1-CD2 2.62Å; D252-H272 PolarHBondContact OD1-CD2 2.85Å; D252-H272 IonicContact OD1-CG 3.55Å; D252-H272 IonicContact OD1-NE2 2.68Å; D252-H272 IonicContact OD2-CD2 3.92Å; D252-H272 PolarHBondContact OD2-CD2 2.86Å; H272-S287 CarbonylContact O-C 3.56Å; H272-S287 VanDerWaalsContact O-CA 3.22Å; H272-S287 WeakPolarHBondContact O-CA 3.25Å; H272-R288 PolarHBondContact N-O 2.9Å; H272-R288 PolarHBondContact O-N 2.86Å; H272-R290 HydrophobicContact CB-CG 4.36Å
273	K	91.8	Very high	89.5	Confident	5 Å²	5	45.4 Å²	45.4	2%	0.022	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.8	-173	-54.6	-64.5	-177.8	-79.9	0	109.7	A250 G251 D252 F269 E270 G271 I285	A250-K273 HydrophobicContact CB-CB 4.43Å; A250-K273 HydrophobicContact CB-CG 4.4Å; G251-K273 WeakPolarHBondContact O-CG 3.48Å; D252-K273 PolarHBondContact O-NZ 3.37Å; D252-K273 PolarHBondContact OD1-N 3.42Å; F269-K273 PolarHBondContact O-NZ 3.48Å; E270-K273 PolarHBondContact O-NZ 3.31Å; G271-K273 PolarHBondContact O-N 2.98Å; G271-K273 PolarHBondContact O-NZ 2.98Å; K273-I285 HydrophobicContact CD-CD1 4.46Å; K273-I285 HydrophobicContact CD-CG2 3.38Å
274	L	91.8	Very high	89.9	Confident	40 Å²	40	40.1 Å²	40.1	21%	0.209	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-42.6	-179.2	-62.6	177.2	0	0	0	111.7	C235 V286 R288 Q309	C235-L274 VanDerWaalsContact SG-C 3.57Å; C235-L274 PolarHBondContact SG-O 2.9Å; L274-V286 PolarHBondContact N-O 3.4Å; L274-R288 HydrophobicContact CD1-CB 4.24Å; L274-Q309 HydrophobicContact CD1-CG 4.15Å
275	I	93.3	Very high	90.3	Very high	11 Å²	11	39 Å²	39	6%	0.056	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	133.4	-178.5	-57.1	167.7	0	0	0	108.2	R234 I285 V286 V330	R234-I275 WeakPolarHBondContact O-CA 3.24Å; I275-I285 WeakPolarHBondContact O-CA 3.38Å; I275-V286 HydrophobicContact CB-CB 4.02Å; I275-V286 HydrophobicContact CB-CG2 4.1Å; I275-V286 HydrophobicContact CD1-CB 4.42Å; I275-V286 HydrophobicContact CD1-CG2 4.28Å; I275-V286 HydrophobicContact CG1-CB 4.44Å; I275-V286 PolarHBondContact N-O 3.04Å; I275-V286 PolarHBondContact O-N 3.31Å; I275-V330 HydrophobicContact CD1-CG1 4.12Å
276	A	94.6	Very high	90.6	Very high	5 Å²	5	36 Å²	36	4%	0.041	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128	166.3	0	0	0	0	0	108.9	R234 A250 V284	R234-A276 PolarHBondContact O-N 3.11Å; A250-A276 HydrophobicContact CB-CB 3.85Å; A276-V284 WeakPolarHBondContact CA-O 3.33Å
277	H	94.1	Very high	90.7	Very high	48 Å²	48	32.7 Å²	32.7	22%	0.222	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	154	177.9	-163.8	80.1	0	0	0	110.1	V284 A335	H277-V284 HydrophobicContact CB-CB 4.26Å; H277-V284 PolarHBondContact N-O 2.97Å; H277-V284 PolarHBondContact O-N 3.05Å; H277-A335 WeakPolarHBondContact NE2-CB 3.25Å
278	W	92.8	Very high	90.6	Very high	25 Å²	25	34.6 Å²	34.6	10%	0.095	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.2	178.4	-171.1	-94.6	0	0	0	111.1	A237 L238 D240 Q243 I248 L283 L316	A237-W278 HydrophobicContact CB-CB 4.45Å; L238-W278 WeakPolarHBondContact O-CB 3.48Å; D240-W278 VanDerWaalsContact N-CD1 3.31Å; D240-W278 PolarHBondContact OD1-NE1 3.3Å; Q243-W278 HydrophobicContact CB-CZ2 4.17Å; Q243-W278 HydrophobicContact CG-CH2 4.42Å; Q243-W278 HydrophobicContact CG-CZ2 3.84Å; I248-W278 HydrophobicContact CD1-CD2 3.93Å; I248-W278 HydrophobicContact CD1-CE3 3.11Å; I248-W278 HydrophobicContact CD1-CH2 4.43Å; I248-W278 HydrophobicContact CD1-CZ3 3.42Å; I248-W278 VanDerWaalsContact CD1-CZ3 3.42Å; W278-L283 HydrophobicContact CE3-CB 4.06Å; W278-L283 HydrophobicContact CE3-CD1 4.25Å; W278-L283 HydrophobicContact CZ3-CB 3.91Å; W278-L316 HydrophobicContact CH2-CD1 4.33Å; W278-L316 HydrophobicContact CZ3-CD1 4.02Å
279	F	91.6	Very high	90.1	Very high	11 Å²	11	35.1 Å²	35.1	5%	0.048	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	111.8	-178	175.2	-104.9	0	0	0	111.3	F13 G281 Y282 V284 A335 L340	F13-F279 HydrophobicContact CE1-CD1 4.38Å; F13-F279 AromaticContact CE1-CE1 3.95Å; F13-F279 HydrophobicContact CE1-CE1 3.95Å; F13-F279 HydrophobicContact CZ-CD1 4.42Å; F13-F279 HydrophobicContact CZ-CE1 4.25Å; F279-G281 VanDerWaalsContact C-N 3.33Å; F279-G281 PolarHBondContact O-N 2.83Å; F279-Y282 HydrophobicContact CD1-CD2 4.24Å; F279-Y282 PolarHBondContact N-O 3.05Å; F279-Y282 WeakPolarHBondContact O-CA 2.88Å; F279-Y282 VanDerWaalsContact O-CB 3.28Å; F279-Y282 WeakPolarHBondContact O-CB 2.86Å; F279-Y282 WeakPolarHBondContact O-CD2 3.34Å; F279-Y282 PolarHBondContact O-N 2.92Å; F279-V284 HydrophobicContact CB-CG2 4.32Å; F279-A335 HydrophobicContact CD2-CB 3.65Å; F279-A335 HydrophobicContact CE2-CB 4.25Å; F279-L340 HydrophobicContact CB-CD1 4.3Å; F279-L340 HydrophobicContact CB-CD2 3.72Å; F279-L340 HydrophobicContact CB-CG 4.21Å; F279-L340 HydrophobicContact CD1-CD1 3.77Å; F279-L340 HydrophobicContact CD1-CD2 4.22Å; F279-L340 HydrophobicContact CD1-CG 3.77Å; F279-L340 HydrophobicContact CD2-CD2 3.91Å; F279-L340 HydrophobicContact CD2-CG 4.09Å; F279-L340 HydrophobicContact CE1-CD1 4.33Å; F279-L340 HydrophobicContact CE1-CG 4.12Å; F279-L340 HydrophobicContact CE2-CG 4.4Å; F279-L340 HydrophobicContact CG-CD1 4.07Å; F279-L340 HydrophobicContact CG-CD2 3.67Å; F279-L340 HydrophobicContact CG-CG 3.74Å; F279-L340 HydrophobicContact CZ-CG 4.41Å
280	R	87.2	Confident	88.9	Confident	150 Å²	150	41.2 Å²	41.2	57%	0.566	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	47	47.8	171.3	-63.3	-174.9	168.9	-175.8	-5.7	114.4	Y282	R280-Y282 VanDerWaalsContact C-N 3.27Å; R280-Y282 PolarHBondContact O-N 3.41Å
281	G	87.8	Confident	87.5	Confident	15 Å²	15	42.7 Å²	42.7	16%	0.155	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-5.9	-178.5	0	0	0	0	0	114.9	F279	F279-G281 VanDerWaalsContact C-N 3.33Å; F279-G281 PolarHBondContact O-N 2.83Å
282	Y	92.2	Very high	85.5	Confident	8 Å²	8	48.2 Å²	48.2	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138.8	173.6	-56.4	-75.3	0	0	0	112	F13 F279 R280 I313 Y314 D315 A322 E354	F13-Y282 HydrophobicContact CE2-CD2 4.46Å; F13-Y282 HydrophobicContact CE2-CE2 4.23Å; F13-Y282 AromaticContact CZ-CD2 3.97Å; F13-Y282 HydrophobicContact CZ-CD2 3.97Å; F13-Y282 AromaticContact CZ-CE2 3.89Å; F13-Y282 HydrophobicContact CZ-CE2 3.89Å; F279-Y282 HydrophobicContact CD1-CD2 4.24Å; F279-Y282 PolarHBondContact N-O 3.05Å; F279-Y282 WeakPolarHBondContact O-CA 2.88Å; F279-Y282 VanDerWaalsContact O-CB 3.28Å; F279-Y282 WeakPolarHBondContact O-CB 2.86Å; F279-Y282 WeakPolarHBondContact O-CD2 3.34Å; F279-Y282 PolarHBondContact O-N 2.92Å; R280-Y282 VanDerWaalsContact C-N 3.27Å; R280-Y282 PolarHBondContact O-N 3.41Å; Y282-I313 HydrophobicContact CD1-CG2 3.94Å; Y282-I313 HydrophobicContact CD2-CG2 4.48Å; Y282-I313 HydrophobicContact CG-CG2 3.74Å; Y282-Y314 CarbonylContact C-O 3.59Å; Y282-Y314 VanDerWaalsContact CA-O 3.25Å; Y282-Y314 WeakPolarHBondContact CA-O 3.48Å; Y282-D315 HydrophobicContact CD1-CB 4.02Å; Y282-D315 HydrophobicContact CE1-CB 4.02Å; Y282-A322 HydrophobicContact CD1-CB 4.02Å; Y282-A322 HydrophobicContact CE1-CB 3.73Å; Y282-E354 VanDerWaalsContact CE2-OE1 3.23Å; Y282-E354 WeakPolarHBondContact CE2-OE1 3.31Å; Y282-E354 PolarHBondContact OH-OE1 3.08Å
283	L	93.9	Very high	82.9	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	118.3	166.8	175.7	63.7	0	0	0	109.1	I248 V255 F269 W278 I285 Y314 L316	I248-L283 HydrophobicContact CD1-CD1 4.28Å; I248-L283 HydrophobicContact CG2-CD1 4.08Å; V255-L283 HydrophobicContact CB-CD2 4.41Å; V255-L283 HydrophobicContact CG1-CD2 3.91Å; V255-L283 HydrophobicContact CG2-CD2 4.29Å; F269-L283 HydrophobicContact CE2-CD2 3.91Å; W278-L283 HydrophobicContact CE3-CB 4.06Å; W278-L283 HydrophobicContact CE3-CD1 4.25Å; W278-L283 HydrophobicContact CZ3-CB 3.91Å; L283-I285 HydrophobicContact CD1-CG1 4.4Å; L283-I285 HydrophobicContact CD2-CD1 3.89Å; L283-I285 HydrophobicContact CD2-CG1 4.25Å; L283-I285 HydrophobicContact CG-CD1 4.19Å; L283-I285 HydrophobicContact CG-CG1 3.99Å; L283-Y314 PolarHBondContact N-O 3.41Å; L283-Y314 PolarHBondContact O-N 3.39Å; L283-L316 HydrophobicContact CB-CD1 4.27Å; L283-L316 HydrophobicContact CB-CD2 4.48Å; L283-L316 HydrophobicContact CB-CG 4.28Å; L283-L316 HydrophobicContact CD2-CD1 4.21Å; L283-L316 HydrophobicContact CD2-CD2 4.14Å
284	V	95.4	Very high	80.4	Confident	1 Å²	1	55 Å²	55	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.9	176.1	-172	0	0	0	0	108.8	A276 H277 F279 L311 N312 I313 V333 L340	A276-V284 WeakPolarHBondContact CA-O 3.33Å; H277-V284 HydrophobicContact CB-CB 4.26Å; H277-V284 PolarHBondContact N-O 2.97Å; H277-V284 PolarHBondContact O-N 3.05Å; F279-V284 HydrophobicContact CB-CG2 4.32Å; V284-L311 HydrophobicContact CG1-CD1 4.29Å; V284-L311 HydrophobicContact CG1-CD2 4.18Å; V284-L311 HydrophobicContact CG1-CG 4.08Å; V284-N312 WeakPolarHBondContact CA-O 3.3Å; V284-I313 HydrophobicContact CG1-CG1 4.36Å; V284-I313 HydrophobicContact CG2-CG1 4.28Å; V284-I313 HydrophobicContact CG2-CG2 4.4Å; V284-V333 HydrophobicContact CG1-CG1 4.23Å; V284-L340 HydrophobicContact CG2-CD1 3.75Å; V284-L340 HydrophobicContact CG2-CD2 4.33Å
285	I	94.4	Very high	78.2	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.3	178.5	-64.9	179.4	0	0	0	109	V255 F269 K273 I275 L283 L311 N312 Y314	V255-I285 HydrophobicContact CG2-CD1 3.79Å; F269-I285 HydrophobicContact CD2-CD1 3.73Å; F269-I285 HydrophobicContact CE2-CD1 4.11Å; F269-I285 HydrophobicContact CG-CD1 4.29Å; K273-I285 HydrophobicContact CD-CD1 4.46Å; K273-I285 HydrophobicContact CD-CG2 3.38Å; I275-I285 WeakPolarHBondContact O-CA 3.38Å; L283-I285 HydrophobicContact CD1-CG1 4.4Å; L283-I285 HydrophobicContact CD2-CD1 3.89Å; L283-I285 HydrophobicContact CD2-CG1 4.25Å; L283-I285 HydrophobicContact CG-CD1 4.19Å; L283-I285 HydrophobicContact CG-CG1 3.99Å; I285-L311 WeakPolarHBondContact O-CA 3.47Å; I285-N312 PolarHBondContact N-O 2.99Å; I285-N312 PolarHBondContact O-N 3.38Å; I285-Y314 HydrophobicContact CB-CE2 4.06Å; I285-Y314 HydrophobicContact CD1-CD2 4.08Å; I285-Y314 HydrophobicContact CD1-CE2 3.81Å; I285-Y314 HydrophobicContact CG1-CD2 4.29Å; I285-Y314 HydrophobicContact CG1-CE2 4.16Å
286	V	94	Very high	75.5	Confident	1 Å²	1	67 Å²	67	1%	0.006	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.9	163	-174.1	0	0	0	0	108	L274 I275 Q309 L311 V330 V333	L274-V286 PolarHBondContact N-O 3.4Å; I275-V286 HydrophobicContact CB-CB 4.02Å; I275-V286 HydrophobicContact CB-CG2 4.1Å; I275-V286 HydrophobicContact CD1-CB 4.42Å; I275-V286 HydrophobicContact CD1-CG2 4.28Å; I275-V286 HydrophobicContact CG1-CB 4.44Å; I275-V286 PolarHBondContact N-O 3.04Å; I275-V286 PolarHBondContact O-N 3.31Å; V286-Q309 HydrophobicContact CG1-CB 4.09Å; V286-L311 HydrophobicContact CG2-CB 4.43Å; V286-L311 HydrophobicContact CG2-CD1 4.21Å; V286-L311 HydrophobicContact CG2-CG 4.32Å; V286-V330 HydrophobicContact CG1-CB 4.15Å; V286-V330 HydrophobicContact CG1-CG2 4.18Å; V286-V330 HydrophobicContact CG2-CG1 4.31Å; V286-V333 HydrophobicContact CG2-CG2 3.73Å
287	S	92.4	Very high	73.1	Confident	7 Å²	7	76 Å²	76	5%	0.049	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.6	-176.4	56.8	0	0	0	0	111.4	H272 I310	H272-S287 CarbonylContact O-C 3.56Å; H272-S287 VanDerWaalsContact O-CA 3.22Å; H272-S287 WeakPolarHBondContact O-CA 3.25Å; S287-I310 PolarHBondContact N-O 3.05Å; S287-I310 PolarHBondContact O-N 2.81Å; S287-I310 PolarHBondContact OG-O 2.75Å
288	R	88.6	Confident	70.8	Confident	79 Å²	79	82.1 Å²	82.1	30%	0.298	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.7	170.7	-172.9	176.1	-73.3	175.1	-6.3	109.1	H272 L274 R290 D307	H272-R288 PolarHBondContact N-O 2.9Å; H272-R288 PolarHBondContact O-N 2.86Å; L274-R288 HydrophobicContact CD1-CB 4.24Å; R288-R290 PolarHBondContact O-N 2.95Å; R288-D307 WeakPolarHBondContact CD-OD1 3.34Å; R288-D307 WeakPolarHBondContact CD-OD2 3.44Å; R288-D307 IonicContact CZ-OD1 2.69Å; R288-D307 IonicContact CZ-OD2 3.54Å; R288-D307 IonicContact NE-OD1 3.73Å; R288-D307 PolarHBondContact NE-OD1 3.49Å; R288-D307 IonicContact NE-OD2 3.75Å; R288-D307 PolarHBondContact NE-OD2 2.88Å; R288-D307 VanDerWaalsContact NE-OD2 3.09Å; R288-D307 IonicContact NH1-OD2 3.48Å; R288-D307 PolarHBondContact NH1-OD2 2.98Å; R288-D307 IonicContact NH2-OD2 2.81Å; R288-D307 PolarHBondContact NH2-OD2 3.22Å
289	D	76.5	Confident	68.3	Low	86 Å²	86	87.2 Å²	87.2	46%	0.46	44%	0.442	S	S	.	.			trans	-70.1	130.6	177.4	-163.9	-7	0	0	0	109.4	K291	D289-K291 PolarHBondContact O-N 2.79Å
290	R	62.4	Low	65.8	Low	136 Å²	136	92.3 Å²	92.3	51%	0.513	48%	0.479	S	S	.	.			trans	-77	6.2	-175.4	-95.7	-176	173.9	177.7	2.2	113.4	D252 E253 H272 R288 V292	D252-R290 IonicContact OD2-CZ 3.55Å; D252-R290 IonicContact OD2-NH2 3.87Å; D252-R290 PolarHBondContact OD2-NH2 3.39Å; E253-R290 IonicContact OE1-CZ 3.36Å; E253-R290 IonicContact OE1-NH1 3.06Å; E253-R290 PolarHBondContact OE1-NH1 2.79Å; E253-R290 IonicContact OE1-NH2 2.93Å; H272-R290 HydrophobicContact CB-CG 4.36Å; R288-R290 PolarHBondContact O-N 2.95Å; R290-V292 PolarHBondContact O-N 2.97Å
291	K	50.7	Low	63.7	Low	176 Å²	176	96.1 Å²	96.1	77%	0.765	49%	0.494	S	S	*	.			trans	-74.4	56.3	-179.7	-69	-174.5	-178.3	176.5	0	113.6	D289	D289-K291 PolarHBondContact O-N 2.79Å
292	V	41.1	Very low	61.4	Low	130 Å²	130	102.8 Å²	102.8	79%	0.788	53%	0.526	S	S	*	.			trans	-143.6	103.4	154.2	-170.9	0	0	0	0	108.1	R290	R290-V292 PolarHBondContact O-N 2.97Å
293	S	34.5	Very low	58.8	Low	93 Å²	93	108 Å²	108	65%	0.65	56%	0.564	S	S	*	*			trans	-69.8	140.7	168.8	52.5	0	0	0	0	111	K295	S293-K295 VanDerWaalsContact C-N 3.29Å; S293-K295 PolarHBondContact O-N 3.09Å
294	P	40.3	Very low	56.5	Low	133 Å²	133	117.5 Å²	117.5	86%	0.864	61%	0.608	S	S	*	*	S	Bend	trans	-82.9	73.4	171.2	34.1	-31.5	0	0	0	109.8
295	K	44.2	Very low	54.1	Low	195 Å²	195	122.9 Å²	122.9	85%	0.848	65%	0.646	S	S	*	*			trans	-147.6	78.5	165.3	-75.4	-164.7	178.7	-179.8	0	110.2	S293	S293-K295 VanDerWaalsContact C-N 3.29Å; S293-K295 PolarHBondContact O-N 3.09Å
296	S	37.8	Very low	52.1	Low	106 Å²	106	125.7 Å²	125.7	74%	0.741	67%	0.665	S	S	*	*			trans	-174.2	73.5	155.7	178.5	0	0	0	0	109.8	F298	S296-F298 PolarHBondContact O-N 3.18Å; S296-F298 VanDerWaalsContact O-N 3.11Å
297	E	42.8	Very low	50.9	Low	196 Å²	196	128.9 Å²	128.9	92%	0.916	68%	0.683	S	S	*	*			trans	-72.5	85.8	151.2	-77.5	-173.8	159.2	0	0	107.8
298	F	45.7	Very low	50.5	Low	175 Å²	175	134.7 Å²	134.7	77%	0.768	71%	0.707	S	S	*	*			trans	178.9	135.3	142.1	-126.8	-113.4	0	0	0	110.2	S296	S296-F298 PolarHBondContact O-N 3.18Å; S296-F298 VanDerWaalsContact O-N 3.11Å
299	T	41.5	Very low	50.6	Low	132 Å²	132	131.4 Å²	131.4	81%	0.81	70%	0.695	S	S	*	*			trans	92.5	127.4	166.5	73.4	0	0	0	0	119.5
300	S	37.4	Very low	51.3	Low	118 Å²	118	129.5 Å²	129.5	83%	0.825	68%	0.684	S	S	*	*			trans	78.5	103.9	164.6	-143	0	0	0	0	119.3
301	R	45.1	Very low	52.8	Low	231 Å²	231	123 Å²	123	87%	0.872	66%	0.66	S	S	*	*			trans	-60.4	151.6	149.4	-77.7	174.5	164.9	170.5	-6	109.6
302	D	38.8	Very low	54.9	Low	154 Å²	154	115.3 Å²	115.3	82%	0.824	63%	0.627	S	S	*	*			trans	77.4	84.6	171.7	-58.2	-25.1	0	0	0	118.1
303	S	38.1	Very low	57.5	Low	119 Å²	119	109.1 Å²	109.1	83%	0.832	59%	0.589	S	S	*	*				-171.9	128.9	123.6	43.3	0	0	0	0	109.8	S305	S303-S305 PolarHBondContact O-N 2.89Å
304	Q	45.1	Very low	60.2	Low	198 Å²	198	105.3 Å²	105.3	93%	0.925	56%	0.561	S	S	*	*			trans	-59	101.6	-178.2	-68.1	168.6	-22.7	0	0	110.6	S306	Q304-S306 VanDerWaalsContact C-N 3.26Å; Q304-S306 PolarHBondContact O-N 3.35Å
305	S	45.4	Very low	62.6	Low	114 Å²	114	99.6 Å²	99.6	80%	0.797	52%	0.523	S	S	*	.			trans	-72.4	87.2	165.6	60.6	0	0	0	0	108	S303 D307	S303-S305 PolarHBondContact O-N 2.89Å; S305-D307 PolarHBondContact O-N 2.82Å; S305-D307 VanDerWaalsContact O-N 3.07Å
306	S	52.2	Low	64.6	Low	60 Å²	60	90.9 Å²	90.9	42%	0.42	49%	0.485	S	S	.	.			trans	-53.2	115.2	168.7	59.5	0	0	0	0	108	Q304 K308	Q304-S306 VanDerWaalsContact C-N 3.26Å; Q304-S306 PolarHBondContact O-N 3.35Å; S306-K308 VanDerWaalsContact C-N 3.32Å; S306-K308 PolarHBondContact O-N 2.84Å
307	D	68.1	Low	66.8	Low	69 Å²	69	89.2 Å²	89.2	37%	0.369	47%	0.473	S	S	.	.			trans	-74.9	86	-174.3	-149.1	-14.3	0	0	0	108.7	R288 S305 Q309	R288-D307 WeakPolarHBondContact CD-OD1 3.34Å; R288-D307 WeakPolarHBondContact CD-OD2 3.44Å; R288-D307 IonicContact CZ-OD1 2.69Å; R288-D307 IonicContact CZ-OD2 3.54Å; R288-D307 IonicContact NE-OD1 3.73Å; R288-D307 PolarHBondContact NE-OD1 3.49Å; R288-D307 IonicContact NE-OD2 3.75Å; R288-D307 PolarHBondContact NE-OD2 2.88Å; R288-D307 VanDerWaalsContact NE-OD2 3.09Å; R288-D307 IonicContact NH1-OD2 3.48Å; R288-D307 PolarHBondContact NH1-OD2 2.98Å; R288-D307 IonicContact NH2-OD2 2.81Å; R288-D307 PolarHBondContact NH2-OD2 3.22Å; S305-D307 PolarHBondContact O-N 2.82Å; S305-D307 VanDerWaalsContact O-N 3.07Å; D307-Q309 PolarHBondContact O-N 3.25Å
308	K	83.2	Confident	68.8	Low	129 Å²	129	80.9 Å²	80.9	56%	0.561	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	123	-170.3	-71.2	-179.6	-178.6	178.8	0	110.5	S306 V326	S306-K308 VanDerWaalsContact C-N 3.32Å; S306-K308 PolarHBondContact O-N 2.84Å; K308-V326 HydrophobicContact CB-CG1 3.92Å; K308-V326 HydrophobicContact CD-CG1 4.27Å; K308-V326 HydrophobicContact CG-CG1 4.23Å
309	Q	91.4	Very high	70.7	Confident	9 Å²	9	78.8 Å²	78.8	4%	0.042	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	140	177.6	-57.4	-178.9	7.2	0	0	109.7	L274 V286 D307 V326 F327 D329 V330	L274-Q309 HydrophobicContact CD1-CG 4.15Å; V286-Q309 HydrophobicContact CG1-CB 4.09Å; D307-Q309 PolarHBondContact O-N 3.25Å; Q309-V326 WeakPolarHBondContact O-CA 3.22Å; Q309-F327 PolarHBondContact N-O 2.59Å; Q309-F327 PolarHBondContact O-N 3.34Å; Q309-D329 PolarHBondContact NE2-OD1 2.78Å; Q309-V330 HydrophobicContact CB-CG2 4.48Å; Q309-V330 VanDerWaalsContact OE1-CB 3.26Å
310	I	92.1	Very high	73	Confident	47 Å²	47	72.5 Å²	72.5	24%	0.241	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.4	179.9	-53.7	175.7	0	0	0	108.3	S287 V326	S287-I310 PolarHBondContact N-O 3.05Å; S287-I310 PolarHBondContact O-N 2.81Å; S287-I310 PolarHBondContact OG-O 2.75Å; I310-V326 HydrophobicContact CG1-CG2 4.42Å
311	L	94.1	Very high	75.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.4	169.7	-176.4	154.5	0	0	0	108.9	V284 I285 V286 I313 Y323 S324 A325 F327 V333 V342 L352	V284-L311 HydrophobicContact CG1-CD1 4.29Å; V284-L311 HydrophobicContact CG1-CD2 4.18Å; V284-L311 HydrophobicContact CG1-CG 4.08Å; I285-L311 WeakPolarHBondContact O-CA 3.47Å; V286-L311 HydrophobicContact CG2-CB 4.43Å; V286-L311 HydrophobicContact CG2-CD1 4.21Å; V286-L311 HydrophobicContact CG2-CG 4.32Å; L311-I313 HydrophobicContact CD2-CD1 4.17Å; L311-I313 HydrophobicContact CD2-CG1 3.67Å; L311-Y323 HydrophobicContact CD2-CD1 4.38Å; L311-S324 WeakPolarHBondContact O-CA 3.01Å; L311-A325 PolarHBondContact N-O 3.19Å; L311-A325 PolarHBondContact O-N 2.86Å; L311-F327 HydrophobicContact CB-CD2 3.86Å; L311-F327 HydrophobicContact CB-CE2 3.82Å; L311-F327 HydrophobicContact CD1-CE2 4.11Å; L311-F327 HydrophobicContact CG-CE2 4.45Å; L311-V333 HydrophobicContact CD1-CG2 3.93Å; L311-V342 HydrophobicContact CD1-CG1 4.2Å; L311-V342 HydrophobicContact CD1-CG2 3.5Å; L311-V342 VanDerWaalsContact CD1-CG2 3.5Å; L311-L352 HydrophobicContact CD1-CD1 4.34Å; L311-L352 HydrophobicContact CD2-CD1 3.95Å
312	N	94.1	Very high	77.8	Confident	13 Å²	13	56.3 Å²	56.3	7%	0.07	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.5	174.6	-67.4	-54.3	0	0	0	109.9	V284 I285 Y314 S324	V284-N312 WeakPolarHBondContact CA-O 3.3Å; I285-N312 PolarHBondContact N-O 2.99Å; I285-N312 PolarHBondContact O-N 3.38Å; N312-Y314 HydrophobicContact CB-CD2 4.1Å; N312-Y314 HydrophobicContact CB-CE1 4.38Å; N312-Y314 HydrophobicContact CB-CE2 3.32Å; N312-Y314 VanDerWaalsContact CB-CZ 3.49Å; N312-Y314 PolarHBondContact ND2-OH 3.41Å; N312-S324 VanDerWaalsContact OD1-CB 3.27Å; N312-S324 WeakPolarHBondContact OD1-CB 3.33Å; N312-S324 PolarHBondContact OD1-OG 3.37Å
313	I	95.1	Very high	80.4	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.9	173	-54.1	-174.8	0	0	0	107.4	F13 Y282 V284 L311 I321 A322 Y323 L340 L352	F13-I313 HydrophobicContact CD1-CD1 4.02Å; F13-I313 HydrophobicContact CD2-CD1 3.89Å; F13-I313 HydrophobicContact CE1-CD1 4.04Å; F13-I313 HydrophobicContact CE2-CB 4.49Å; F13-I313 HydrophobicContact CE2-CD1 3.93Å; F13-I313 HydrophobicContact CE2-CG2 3.85Å; F13-I313 HydrophobicContact CG-CD1 3.94Å; F13-I313 HydrophobicContact CZ-CD1 4Å; F13-I313 HydrophobicContact CZ-CG2 4.11Å; Y282-I313 HydrophobicContact CD1-CG2 3.94Å; Y282-I313 HydrophobicContact CD2-CG2 4.48Å; Y282-I313 HydrophobicContact CG-CG2 3.74Å; V284-I313 HydrophobicContact CG1-CG1 4.36Å; V284-I313 HydrophobicContact CG2-CG1 4.28Å; V284-I313 HydrophobicContact CG2-CG2 4.4Å; L311-I313 HydrophobicContact CD2-CD1 4.17Å; L311-I313 HydrophobicContact CD2-CG1 3.67Å; I313-I321 CarbonylContact O-C 3.6Å; I313-I321 WeakPolarHBondContact O-CA 3.36Å; I313-A322 HydrophobicContact CB-CB 4.36Å; I313-A322 HydrophobicContact CG2-CB 4.07Å; I313-A322 PolarHBondContact O-N 3.25Å; I313-Y323 HydrophobicContact CD1-CD1 4.15Å; I313-Y323 HydrophobicContact CG1-CD1 4.48Å; I313-Y323 PolarHBondContact N-O 3.49Å; I313-L340 HydrophobicContact CD1-CD1 3.6Å; I313-L340 HydrophobicContact CG1-CD1 4.47Å; I313-L352 HydrophobicContact CD1-CD1 4.1Å
314	Y	92.3	Very high	83.1	Confident	14 Å²	14	46.4 Å²	46.4	6%	0.055	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.4	-176	-62.6	-84.5	0	0	0	111.4	W7 F269 Y282 L283 I285 N312 I321	W7-Y314 HydrophobicContact CD2-CD1 4.35Å; W7-Y314 AromaticContact CE3-CD1 3.8Å; W7-Y314 HydrophobicContact CE3-CD1 3.8Å; W7-Y314 HydrophobicContact CE3-CE1 4.49Å; W7-Y314 AromaticContact CZ3-CD1 3.99Å; W7-Y314 HydrophobicContact CZ3-CD1 3.99Å; F269-Y314 HydrophobicContact CD1-CD1 4.18Å; F269-Y314 AromaticContact CD1-CE1 3.64Å; F269-Y314 HydrophobicContact CD1-CE1 3.64Å; F269-Y314 HydrophobicContact CD1-CE2 4.29Å; F269-Y314 AromaticContact CD1-CZ 3.7Å; F269-Y314 AromaticContact CE1-CD1 3.53Å; F269-Y314 HydrophobicContact CE1-CD1 3.53Å; F269-Y314 HydrophobicContact CE1-CD2 4.4Å; F269-Y314 AromaticContact CE1-CE1 3.47Å; F269-Y314 HydrophobicContact CE1-CE1 3.47Å; F269-Y314 VanDerWaalsContact CE1-CE1 3.47Å; F269-Y314 HydrophobicContact CE1-CE2 4.34Å; F269-Y314 HydrophobicContact CE1-CG 4.01Å; F269-Y314 AromaticContact CE1-CZ 3.91Å; F269-Y314 HydrophobicContact CZ-CD1 4.06Å; F269-Y314 HydrophobicContact CZ-CD2 4.41Å; F269-Y314 HydrophobicContact CZ-CE1 4.35Å; F269-Y314 HydrophobicContact CZ-CG 4.1Å; Y282-Y314 CarbonylContact C-O 3.59Å; Y282-Y314 VanDerWaalsContact CA-O 3.25Å; Y282-Y314 WeakPolarHBondContact CA-O 3.48Å; L283-Y314 PolarHBondContact N-O 3.41Å; L283-Y314 PolarHBondContact O-N 3.39Å; I285-Y314 HydrophobicContact CB-CE2 4.06Å; I285-Y314 HydrophobicContact CD1-CD2 4.08Å; I285-Y314 HydrophobicContact CD1-CE2 3.81Å; I285-Y314 HydrophobicContact CG1-CD2 4.29Å; I285-Y314 HydrophobicContact CG1-CE2 4.16Å; N312-Y314 HydrophobicContact CB-CD2 4.1Å; N312-Y314 HydrophobicContact CB-CE1 4.38Å; N312-Y314 HydrophobicContact CB-CE2 3.32Å; N312-Y314 VanDerWaalsContact CB-CZ 3.49Å; N312-Y314 PolarHBondContact ND2-OH 3.41Å; Y314-I321 HydrophobicContact CD1-CG1 3.64Å; Y314-I321 HydrophobicContact CE1-CD1 3.97Å; Y314-I321 HydrophobicContact CE1-CG1 3.47Å; Y314-I321 VanDerWaalsContact CE1-CG1 3.47Å
315	D	90.3	Very high	85.4	Confident	12 Å²	12	37.7 Å²	37.7	6%	0.064	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	105.8	163.5	-176.6	-32.5	0	0	0	108.1	W7 Y282 C317 N318 K319 F320	W7-D315 WeakPolarHBondContact CZ3-O 3.42Å; Y282-D315 HydrophobicContact CD1-CB 4.02Å; Y282-D315 HydrophobicContact CE1-CB 4.02Å; D315-C317 PolarHBondContact OD1-N 3.47Å; D315-C317 VanDerWaalsContact OD1-N 3.08Å; D315-N318 HydrophobicContact CB-CB 4.48Å; D315-N318 PolarHBondContact OD1-N 3.1Å; D315-N318 PolarHBondContact OD2-ND2 3.33Å; D315-K319 VanDerWaalsContact O-CA 3.3Å; D315-K319 WeakPolarHBondContact O-CA 3.47Å; D315-K319 PolarHBondContact O-N 3.01Å; D315-F320 HydrophobicContact CB-CD1 4.26Å; D315-F320 HydrophobicContact CB-CD2 4.12Å; D315-F320 HydrophobicContact CB-CE1 3.94Å; D315-F320 HydrophobicContact CB-CE2 3.73Å; D315-F320 HydrophobicContact CB-CG 4.35Å; D315-F320 HydrophobicContact CB-CZ 3.61Å; D315-F320 PolarHBondContact N-O 3.5Å; D315-F320 PolarHBondContact O-N 2.89Å; D315-F320 WeakPolarHBondContact OD2-CE1 3.35Å; D315-F320 VanDerWaalsContact OD2-CZ 3.26Å; D315-F320 WeakPolarHBondContact OD2-CZ 3.41Å
316	L	87.1	Confident	87.6	Confident	12 Å²	12	36.1 Å²	36.1	6%	0.063	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-33.3	-176	-59.6	-177.9	0	0	0	112.3	W7 L257 F267 F269 W278 L283	W7-L316 HydrophobicContact CH2-CD2 3.81Å; W7-L316 HydrophobicContact CZ3-CD2 4.37Å; L257-L316 HydrophobicContact CD1-CD1 4.37Å; L257-L316 HydrophobicContact CD2-CD1 4.18Å; F267-L316 HydrophobicContact CD1-CD2 4.34Å; F267-L316 HydrophobicContact CD2-CD1 4.17Å; F267-L316 HydrophobicContact CD2-CD2 4.06Å; F267-L316 HydrophobicContact CE1-CD2 4.46Å; F267-L316 HydrophobicContact CE2-CB 4.28Å; F267-L316 HydrophobicContact CE2-CD1 3.88Å; F267-L316 HydrophobicContact CE2-CD2 4.19Å; F267-L316 HydrophobicContact CE2-CG 4.35Å; F267-L316 HydrophobicContact CG-CD2 4.13Å; F267-L316 HydrophobicContact CZ-CB 4.04Å; F267-L316 HydrophobicContact CZ-CD1 4.48Å; F267-L316 HydrophobicContact CZ-CD2 4.39Å; F269-L316 HydrophobicContact CE2-CD2 4.33Å; F269-L316 HydrophobicContact CZ-CD2 3.78Å; W278-L316 HydrophobicContact CH2-CD1 4.33Å; W278-L316 HydrophobicContact CZ3-CD1 4.02Å; L283-L316 HydrophobicContact CB-CD1 4.27Å; L283-L316 HydrophobicContact CB-CD2 4.48Å; L283-L316 HydrophobicContact CB-CG 4.28Å; L283-L316 HydrophobicContact CD2-CD1 4.21Å; L283-L316 HydrophobicContact CD2-CD2 4.14Å
317	C	83.4	Confident	89.3	Confident	72 Å²	72	33.6 Å²	33.6	49%	0.486	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-47	-179.1	-62	0	0	0	0	110.9	D315	D315-C317 PolarHBondContact OD1-N 3.47Å; D315-C317 VanDerWaalsContact OD1-N 3.08Å
318	N	83.6	Confident	90.2	Very high	20 Å²	20	36.4 Å²	36.4	11%	0.107	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-4.7	-178.1	-64.7	-52	0	0	0	113.6	D315 F320 M372 N375 S379	D315-N318 HydrophobicContact CB-CB 4.48Å; D315-N318 PolarHBondContact OD1-N 3.1Å; D315-N318 PolarHBondContact OD2-ND2 3.33Å; N318-F320 HydrophobicContact CB-CD1 3.37Å; N318-F320 HydrophobicContact CB-CE1 3.2Å; N318-F320 HydrophobicContact CB-CZ 4.32Å; N318-M372 HydrophobicContact CB-SD 4.13Å; N318-N375 VanDerWaalsContact OD1-CB 3.28Å; N318-N375 WeakPolarHBondContact OD1-CB 3.46Å; N318-S379 PolarHBondContact ND2-OG 3.24Å
319	K	87	Confident	90.3	Very high	132 Å²	132	32.9 Å²	32.9	57%	0.574	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	46.5	175.8	-56.4	-179.3	-178.9	179.6	0	113.9	W7 D315	W7-K319 HydrophobicContact CZ3-CB 4.48Å; D315-K319 VanDerWaalsContact O-CA 3.3Å; D315-K319 WeakPolarHBondContact O-CA 3.47Å; D315-K319 PolarHBondContact O-N 3.01Å
320	F	89	Confident	90.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	162.2	175.2	68.9	-105.5	0	0	0	112.9	R8 F10 F12 D315 N318 A322 M372 L376	R8-F320 WeakPolarHBondContact O-CB 3.14Å; F10-F320 HydrophobicContact CD2-CB 3.97Å; F10-F320 AromaticContact CD2-CD2 3.63Å; F10-F320 HydrophobicContact CD2-CD2 3.63Å; F10-F320 HydrophobicContact CD2-CE2 4.34Å; F10-F320 AromaticContact CD2-CG 3.86Å; F10-F320 HydrophobicContact CD2-CG 3.86Å; F10-F320 HydrophobicContact CE2-CB 3.75Å; F10-F320 HydrophobicContact CE2-CD1 4.43Å; F10-F320 HydrophobicContact CE2-CD2 4.14Å; F10-F320 AromaticContact CE2-CG 3.87Å; F10-F320 HydrophobicContact CE2-CG 3.87Å; F12-F320 AromaticContact CD2-CE2 3.71Å; F12-F320 HydrophobicContact CD2-CE2 3.71Å; F12-F320 HydrophobicContact CD2-CZ 4.11Å; F12-F320 HydrophobicContact CE2-CD2 4.32Å; F12-F320 HydrophobicContact CE2-CE1 4.49Å; F12-F320 AromaticContact CE2-CE2 3.48Å; F12-F320 HydrophobicContact CE2-CE2 3.48Å; F12-F320 VanDerWaalsContact CE2-CE2 3.48Å; F12-F320 AromaticContact CE2-CZ 3.61Å; F12-F320 HydrophobicContact CE2-CZ 3.61Å; D315-F320 HydrophobicContact CB-CD1 4.26Å; D315-F320 HydrophobicContact CB-CD2 4.12Å; D315-F320 HydrophobicContact CB-CE1 3.94Å; D315-F320 HydrophobicContact CB-CE2 3.73Å; D315-F320 HydrophobicContact CB-CG 4.35Å; D315-F320 HydrophobicContact CB-CZ 3.61Å; D315-F320 PolarHBondContact N-O 3.5Å; D315-F320 PolarHBondContact O-N 2.89Å; D315-F320 WeakPolarHBondContact OD2-CE1 3.35Å; D315-F320 VanDerWaalsContact OD2-CZ 3.26Å; D315-F320 WeakPolarHBondContact OD2-CZ 3.41Å; N318-F320 HydrophobicContact CB-CD1 3.37Å; N318-F320 HydrophobicContact CB-CE1 3.2Å; N318-F320 HydrophobicContact CB-CZ 4.32Å; F320-A322 HydrophobicContact CD2-CB 4.34Å; F320-A322 HydrophobicContact CE2-CB 3.82Å; F320-M372 HydrophobicContact CB-CE 4.37Å; F320-M372 HydrophobicContact CD1-CE 4.2Å; F320-M372 HydrophobicContact CD1-CG 4.32Å; F320-M372 HydrophobicContact CD1-SD 3.62Å; F320-M372 HydrophobicContact CE1-SD 4.17Å; F320-L376 HydrophobicContact CZ-CD1 4.33Å
321	I	91.8	Very high	90.2	Very high	9 Å²	9	33 Å²	33	5%	0.046	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	110.1	172.3	-64.4	161.5	0	0	0	107.5	W7 R8 R9 F10 I313 Y314 Y323	W7-I321 HydrophobicContact CB-CD1 3.78Å; W7-I321 HydrophobicContact CB-CG1 3.85Å; R8-I321 PolarHBondContact O-N 3.17Å; R9-I321 HydrophobicContact CG-CB 4.02Å; R9-I321 HydrophobicContact CG-CD1 3.76Å; R9-I321 HydrophobicContact CG-CG1 4.47Å; R9-I321 HydrophobicContact CG-CG2 4.29Å; F10-I321 PolarHBondContact N-O 3.17Å; I313-I321 CarbonylContact O-C 3.6Å; I313-I321 WeakPolarHBondContact O-CA 3.36Å; Y314-I321 HydrophobicContact CD1-CG1 3.64Å; Y314-I321 HydrophobicContact CE1-CD1 3.97Å; Y314-I321 HydrophobicContact CE1-CG1 3.47Å; Y314-I321 VanDerWaalsContact CE1-CG1 3.47Å; I321-Y323 VanDerWaalsContact C-N 3.33Å; I321-Y323 VanDerWaalsContact CG2-O 3.3Å; I321-Y323 WeakPolarHBondContact CG2-O 3.42Å
322	A	91.6	Very high	90	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-33.4	-178.9	0	0	0	0	0	112	F10 F12 F13 Y282 I313 F320	F10-A322 CarbonylContact C-O 3.57Å; F10-A322 CarbonylContact O-C 3.56Å; F12-A322 HydrophobicContact CB-CB 4.39Å; F12-A322 WeakPolarHBondContact CB-O 3.47Å; F12-A322 HydrophobicContact CD2-CB 4.2Å; F12-A322 PolarHBondContact N-O 2.9Å; F13-A322 HydrophobicContact CD2-CB 4.32Å; F13-A322 HydrophobicContact CE2-CB 3.94Å; Y282-A322 HydrophobicContact CD1-CB 4.02Å; Y282-A322 HydrophobicContact CE1-CB 3.73Å; I313-A322 HydrophobicContact CB-CB 4.36Å; I313-A322 HydrophobicContact CG2-CB 4.07Å; I313-A322 PolarHBondContact O-N 3.25Å; F320-A322 HydrophobicContact CD2-CB 4.34Å; F320-A322 HydrophobicContact CE2-CB 3.82Å
323	Y	94.6	Very high	90	Very high	22 Å²	22	32.8 Å²	32.8	9%	0.086	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	147.9	178.8	-176.4	-106.6	0	0	0	111.2	V11 F13 K15 L311 I313 I321 A325 L352	V11-Y323 HydrophobicContact CG1-CD2 4.21Å; V11-Y323 HydrophobicContact CG1-CE2 4.24Å; F13-Y323 HydrophobicContact CB-CD1 4.29Å; F13-Y323 HydrophobicContact CB-CD2 3.86Å; F13-Y323 HydrophobicContact CB-CE2 4.45Å; F13-Y323 HydrophobicContact CB-CG 3.78Å; F13-Y323 HydrophobicContact CG-CG 4.46Å; F13-Y323 WeakPolarHBondContact O-CD2 3.36Å; F13-Y323 VanDerWaalsContact O-CE2 3.3Å; F13-Y323 WeakPolarHBondContact O-CE2 3.18Å; K15-Y323 VanDerWaalsContact CB-OH 3.29Å; K15-Y323 WeakPolarHBondContact CB-OH 3.44Å; L311-Y323 HydrophobicContact CD2-CD1 4.38Å; I313-Y323 HydrophobicContact CD1-CD1 4.15Å; I313-Y323 HydrophobicContact CG1-CD1 4.48Å; I313-Y323 PolarHBondContact N-O 3.49Å; I321-Y323 VanDerWaalsContact C-N 3.33Å; I321-Y323 VanDerWaalsContact CG2-O 3.3Å; I321-Y323 WeakPolarHBondContact CG2-O 3.42Å; Y323-A325 HydrophobicContact CD1-CB 4.43Å; Y323-A325 HydrophobicContact CE1-CB 3.47Å; Y323-A325 VanDerWaalsContact CE1-CB 3.47Å; Y323-A325 WeakPolarHBondContact OH-CB 3.46Å; Y323-L352 HydrophobicContact CD1-CD1 4.15Å; Y323-L352 HydrophobicContact CD1-CD2 4.48Å; Y323-L352 HydrophobicContact CE1-CD1 3.99Å; Y323-L352 HydrophobicContact CE1-CD2 3.7Å; Y323-L352 HydrophobicContact CE1-CG 4.48Å
324	S	93.6	Very high	90	Very high	43 Å²	43	33 Å²	33	30%	0.301	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	126.6	176.9	-175.6	0	0	0	0	109.4	L311 N312	L311-S324 WeakPolarHBondContact O-CA 3.01Å; N312-S324 VanDerWaalsContact OD1-CB 3.27Å; N312-S324 WeakPolarHBondContact OD1-CB 3.33Å; N312-S324 PolarHBondContact OD1-OG 3.37Å
325	A	92.8	Very high	90	Very high	14 Å²	14	33.3 Å²	33.3	12%	0.116	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	151.5	178	0	0	0	0	0	112.3	L311 Y323 F327	L311-A325 PolarHBondContact N-O 3.19Å; L311-A325 PolarHBondContact O-N 2.86Å; Y323-A325 HydrophobicContact CD1-CB 4.43Å; Y323-A325 HydrophobicContact CE1-CB 3.47Å; Y323-A325 VanDerWaalsContact CE1-CB 3.47Å; Y323-A325 WeakPolarHBondContact OH-CB 3.46Å; A325-F327 HydrophobicContact CB-CD2 4.41Å; A325-F327 HydrophobicContact CB-CE2 3.78Å; A325-F327 HydrophobicContact CB-CZ 4.4Å
326	V	91.8	Very high	90	Very high	82 Å²	82	34.5 Å²	34.5	50%	0.497	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	136.7	175.5	-173.3	0	0	0	0	109.2	K308 Q309 I310	K308-V326 HydrophobicContact CB-CG1 3.92Å; K308-V326 HydrophobicContact CD-CG1 4.27Å; K308-V326 HydrophobicContact CG-CG1 4.23Å; Q309-V326 WeakPolarHBondContact O-CA 3.22Å; I310-V326 HydrophobicContact CG1-CG2 4.42Å
327	F	89.4	Confident	90.2	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.5	176.2	-69.3	-92	0	0	0	110.2	K15 Q309 L311 A325 V330 V342 T344 H350 L352	K15-F327 HydrophobicContact CD-CE1 4.29Å; K15-F327 HydrophobicContact CD-CZ 4.13Å; K15-F327 VanDerWaalsContact NZ-CE1 3.32Å; Q309-F327 PolarHBondContact N-O 2.59Å; Q309-F327 PolarHBondContact O-N 3.34Å; L311-F327 HydrophobicContact CB-CD2 3.86Å; L311-F327 HydrophobicContact CB-CE2 3.82Å; L311-F327 HydrophobicContact CD1-CE2 4.11Å; L311-F327 HydrophobicContact CG-CE2 4.45Å; A325-F327 HydrophobicContact CB-CD2 4.41Å; A325-F327 HydrophobicContact CB-CE2 3.78Å; A325-F327 HydrophobicContact CB-CZ 4.4Å; F327-V330 HydrophobicContact CB-CG2 3.47Å; F327-V330 VanDerWaalsContact CB-CG2 3.47Å; F327-V330 HydrophobicContact CG-CG2 4.07Å; F327-V342 HydrophobicContact CD1-CG1 4Å; F327-V342 HydrophobicContact CD2-CG1 4.5Å; F327-V342 HydrophobicContact CE1-CB 4.14Å; F327-V342 HydrophobicContact CE1-CG1 3.95Å; F327-V342 HydrophobicContact CE1-CG2 4.49Å; F327-V342 HydrophobicContact CE2-CG1 4.45Å; F327-V342 HydrophobicContact CG-CG1 4.28Å; F327-V342 HydrophobicContact CZ-CB 4.26Å; F327-V342 HydrophobicContact CZ-CG1 4.18Å; F327-V342 HydrophobicContact CZ-CG2 4.12Å; F327-T344 HydrophobicContact CD1-CG2 4.18Å; F327-H350 AromaticContact CD1-CD2 3.85Å; F327-H350 HydrophobicContact CE1-CB 3.93Å; F327-H350 AromaticContact CE1-CD2 3.61Å; F327-H350 AromaticContact CE1-CG 3.77Å; F327-L352 HydrophobicContact CZ-CD2 4.45Å
328	E	85.3	Confident	90.4	Very high	129 Å²	129	34 Å²	34	60%	0.603	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	114.7	172.1	-67.1	179.8	-179.9	0	0	107.8	T344	E328-T344 WeakPolarHBondContact O-CG2 3.43Å
329	D	86.1	Confident	90.8	Very high	55 Å²	55	33.6 Å²	33.6	29%	0.294	18%	0.18	S	C	.	.	S	Bend	trans	42.6	80	177.8	-73.1	-25.6	0	0	0	115.5	Q309 V331 T344 R345	Q309-D329 PolarHBondContact NE2-OD1 2.78Å; D329-V331 PolarHBondContact O-N 2.67Å; D329-T344 WeakPolarHBondContact O-CA 3.39Å; D329-R345 HydrophobicContact CB-CB 3.9Å; D329-R345 PolarHBondContact O-N 3.2Å
330	V	91	Very high	91.2	Very high	14 Å²	14	27.3 Å²	27.3	9%	0.085	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	123.5	172.6	-176.4	0	0	0	0	109.3	I275 V286 Q309 F327 V333 V342 L343	I275-V330 HydrophobicContact CD1-CG1 4.12Å; V286-V330 HydrophobicContact CG1-CB 4.15Å; V286-V330 HydrophobicContact CG1-CG2 4.18Å; V286-V330 HydrophobicContact CG2-CG1 4.31Å; Q309-V330 HydrophobicContact CB-CG2 4.48Å; Q309-V330 VanDerWaalsContact OE1-CB 3.26Å; F327-V330 HydrophobicContact CB-CG2 3.47Å; F327-V330 VanDerWaalsContact CB-CG2 3.47Å; F327-V330 HydrophobicContact CG-CG2 4.07Å; V330-V333 HydrophobicContact CG1-CG2 4.14Å; V330-V342 HydrophobicContact CB-CG1 4.48Å; V330-V342 HydrophobicContact CG1-CG1 3.73Å; V330-V342 HydrophobicContact CG2-CG1 3.97Å; V330-L343 CarbonylContact C-O 3.53Å; V330-L343 WeakPolarHBondContact CA-O 3.35Å
331	V	89.9	Confident	91.4	Very high	44 Å²	44	28.3 Å²	28.3	27%	0.267	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-48.4	172.3	177.3	0	0	0	0	109.5	R234 D329 L343 R345	R234-V331 PolarHBondContact NH1-O 3.45Å; D329-V331 PolarHBondContact O-N 2.67Å; V331-L343 HydrophobicContact CB-CB 4.36Å; V331-L343 PolarHBondContact N-O 2.84Å; V331-R345 HydrophobicContact CG2-CB 4.04Å
332	D	91.1	Very high	91.5	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.037	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	164.4	-179.1	-156.7	6.6	0	0	0	113.8	C52 R234 L343	C52-D332 HydrophobicContact CB-CB 4.31Å; C52-D332 VanDerWaalsContact CB-OD2 3.3Å; C52-D332 WeakPolarHBondContact CB-OD2 3.37Å; R234-D332 IonicContact CZ-OD1 2.72Å; R234-D332 IonicContact CZ-OD2 3.53Å; R234-D332 IonicContact NH1-OD1 3.87Å; R234-D332 IonicContact NH2-OD1 2.86Å; R234-D332 PolarHBondContact NH2-OD1 3.07Å; R234-D332 IonicContact NH2-OD2 3.25Å; R234-D332 PolarHBondContact NH2-OD2 3.05Å; D332-L343 PolarHBondContact N-O 2.78Å; D332-L343 PolarHBondContact O-N 2.82Å
333	V	94.1	Very high	91.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.2	170.3	-176.1	0	0	0	0	109.4	V284 V286 L311 V330 L340 Y341 V342	V284-V333 HydrophobicContact CG1-CG1 4.23Å; V286-V333 HydrophobicContact CG2-CG2 3.73Å; L311-V333 HydrophobicContact CD1-CG2 3.93Å; V330-V333 HydrophobicContact CG1-CG2 4.14Å; V333-L340 HydrophobicContact CG1-CD2 3.98Å; V333-Y341 WeakPolarHBondContact CA-O 3.24Å; V333-V342 HydrophobicContact CG2-CG1 4.49Å; V333-V342 HydrophobicContact CG2-CG2 4.44Å
334	L	93.4	Very high	91.3	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	157	-179.8	-58.8	175.9	0	0	0	111.2	C52 L59 F61 L340 Y341 L343	C52-L334 HydrophobicContact CB-CD1 3.83Å; C52-L334 HydrophobicContact CB-CD2 3.99Å; C52-L334 HydrophobicContact CB-CG 4.29Å; L59-L334 HydrophobicContact CB-CD1 4.21Å; L59-L334 HydrophobicContact CD1-CD1 4.45Å; L59-L334 HydrophobicContact CD2-CB 3.94Å; L59-L334 HydrophobicContact CD2-CD1 3.97Å; L59-L334 HydrophobicContact CG-CD1 4.44Å; F61-L334 HydrophobicContact CE1-CD1 3.74Å; F61-L334 HydrophobicContact CZ-CD1 4.49Å; L334-L340 CarbonylContact O-C 3.59Å; L334-L340 WeakPolarHBondContact O-CA 3.42Å; L334-Y341 PolarHBondContact N-O 3.09Å; L334-Y341 PolarHBondContact O-N 3.19Å; L334-L343 HydrophobicContact CD1-CD1 3.74Å; L334-L343 HydrophobicContact CG-CD1 3.97Å
335	A	92.6	Very high	90.9	Very high	21 Å²	21	34.8 Å²	34.8	17%	0.174	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	109.5	-179.5	0	0	0	0	0	110.4	S54 H277 F279 L340	S54-A335 PolarHBondContact OG-N 2.73Å; S54-A335 PolarHBondContact OG-O 2.86Å; S54-A335 VanDerWaalsContact OG-O 3.09Å; H277-A335 WeakPolarHBondContact NE2-CB 3.25Å; F279-A335 HydrophobicContact CD2-CB 3.65Å; F279-A335 HydrophobicContact CE2-CB 4.25Å; A335-L340 HydrophobicContact CB-CD2 4.07Å
336	E	90.9	Very high	90.4	Very high	37 Å²	37	37.5 Å²	37.5	17%	0.173	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	164.1	176.8	-156.4	58.3	-144.9	0	0	110.2	G55 G57 L59 G338 S339 Y341	G55-E336 WeakPolarHBondContact CA-OE2 3.44Å; G55-E336 PolarHBondContact N-OE2 3.29Å; G57-E336 WeakPolarHBondContact CA-OE1 3.48Å; G57-E336 PolarHBondContact N-OE1 3.41Å; L59-E336 HydrophobicContact CD2-CB 3.6Å; L59-E336 HydrophobicContact CD2-CG 4.4Å; E336-G338 PolarHBondContact O-N 2.93Å; E336-S339 PolarHBondContact N-O 3.02Å; E336-S339 PolarHBondContact O-N 2.94Å; E336-Y341 WeakPolarHBondContact O-CE2 3.23Å
337	W	90.7	Very high	89.9	Confident	55 Å²	55	34.1 Å²	34.1	21%	0.208	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	21.9	179.5	-46.3	-39.9	0	0	0	115.2	G57 L59 L71 R73 L75 S339 Y341	G57-W337 WeakPolarHBondContact O-CZ2 3.3Å; G57-W337 PolarHBondContact O-NE1 3.25Å; L59-W337 HydrophobicContact CD1-CH2 4.38Å; L59-W337 HydrophobicContact CG-CH2 4.12Å; L71-W337 WeakPolarHBondContact O-CH2 3.49Å; L71-W337 VanDerWaalsContact O-CZ2 3.29Å; L71-W337 WeakPolarHBondContact O-CZ2 3.26Å; R73-W337 HydrophobicContact CB-CD2 4.09Å; R73-W337 HydrophobicContact CB-CG 4.41Å; R73-W337 HydrophobicContact CB-CZ2 4.13Å; R73-W337 HydrophobicContact CG-CD2 4.07Å; R73-W337 HydrophobicContact CG-CE3 4.47Å; R73-W337 HydrophobicContact CG-CG 4.2Å; L75-W337 HydrophobicContact CD2-CZ3 4.22Å; W337-S339 VanDerWaalsContact C-N 3.31Å; W337-Y341 HydrophobicContact CD2-CE2 4.45Å; W337-Y341 HydrophobicContact CE3-CE1 4.3Å; W337-Y341 AromaticContact CE3-CE2 3.7Å; W337-Y341 HydrophobicContact CE3-CE2 3.7Å; W337-Y341 AromaticContact CE3-CZ 3.46Å; W337-Y341 VanDerWaalsContact CE3-CZ 3.46Å; W337-Y341 HydrophobicContact CZ3-CE1 4.18Å; W337-Y341 HydrophobicContact CZ3-CE2 4.07Å; W337-Y341 AromaticContact CZ3-CZ 3.75Å
338	G	88.3	Confident	89.8	Confident	19 Å²	19	39.2 Å²	39.2	20%	0.196	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	18.4	-176.9	0	0	0	0	0	115.4	E336	E336-G338 PolarHBondContact O-N 2.93Å
339	S	92.3	Very high	90.1	Very high	11 Å²	11	33.1 Å²	33.1	8%	0.077	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	164	174.6	-61	0	0	0	0	110.7	E336 W337	E336-S339 PolarHBondContact N-O 3.02Å; E336-S339 PolarHBondContact O-N 2.94Å; W337-S339 VanDerWaalsContact C-N 3.31Å
340	L	94.4	Very high	90.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	135.9	172	-74.3	165.6	0	0	0	109.7	F13 F279 V284 I313 V333 L334 A335 A351 L352	F13-L340 HydrophobicContact CE1-CD1 4.21Å; F279-L340 HydrophobicContact CB-CD1 4.3Å; F279-L340 HydrophobicContact CB-CD2 3.72Å; F279-L340 HydrophobicContact CB-CG 4.21Å; F279-L340 HydrophobicContact CD1-CD1 3.77Å; F279-L340 HydrophobicContact CD1-CD2 4.22Å; F279-L340 HydrophobicContact CD1-CG 3.77Å; F279-L340 HydrophobicContact CD2-CD2 3.91Å; F279-L340 HydrophobicContact CD2-CG 4.09Å; F279-L340 HydrophobicContact CE1-CD1 4.33Å; F279-L340 HydrophobicContact CE1-CG 4.12Å; F279-L340 HydrophobicContact CE2-CG 4.4Å; F279-L340 HydrophobicContact CG-CD1 4.07Å; F279-L340 HydrophobicContact CG-CD2 3.67Å; F279-L340 HydrophobicContact CG-CG 3.74Å; F279-L340 HydrophobicContact CZ-CG 4.41Å; V284-L340 HydrophobicContact CG2-CD1 3.75Å; V284-L340 HydrophobicContact CG2-CD2 4.33Å; I313-L340 HydrophobicContact CD1-CD1 3.6Å; I313-L340 HydrophobicContact CG1-CD1 4.47Å; V333-L340 HydrophobicContact CG1-CD2 3.98Å; L334-L340 CarbonylContact O-C 3.59Å; L334-L340 WeakPolarHBondContact O-CA 3.42Å; A335-L340 HydrophobicContact CB-CD2 4.07Å; L340-A351 CarbonylContact O-C 3.53Å; L340-A351 WeakPolarHBondContact O-CA 3.44Å; L340-L352 HydrophobicContact CB-CB 4.1Å; L340-L352 PolarHBondContact N-O 3.01Å; L340-L352 PolarHBondContact O-N 3.38Å
341	Y	93.4	Very high	90.5	Very high	22 Å²	22	31.7 Å²	31.7	9%	0.086	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.3	177.2	-66.5	-81.9	0	0	0	109.2	V18 L59 V333 L334 E336 W337 V349 H350 A351	V18-Y341 HydrophobicContact CG2-CD1 4.35Å; V18-Y341 HydrophobicContact CG2-CE1 4.2Å; L59-Y341 HydrophobicContact CD1-CD1 4.27Å; L59-Y341 HydrophobicContact CD1-CD2 4Å; L59-Y341 HydrophobicContact CD1-CG 3.78Å; L59-Y341 HydrophobicContact CD2-CD2 4.21Å; V333-Y341 WeakPolarHBondContact CA-O 3.24Å; L334-Y341 PolarHBondContact N-O 3.09Å; L334-Y341 PolarHBondContact O-N 3.19Å; E336-Y341 WeakPolarHBondContact O-CE2 3.23Å; W337-Y341 HydrophobicContact CD2-CE2 4.45Å; W337-Y341 HydrophobicContact CE3-CE1 4.3Å; W337-Y341 AromaticContact CE3-CE2 3.7Å; W337-Y341 HydrophobicContact CE3-CE2 3.7Å; W337-Y341 AromaticContact CE3-CZ 3.46Å; W337-Y341 VanDerWaalsContact CE3-CZ 3.46Å; W337-Y341 HydrophobicContact CZ3-CE1 4.18Å; W337-Y341 HydrophobicContact CZ3-CE2 4.07Å; W337-Y341 AromaticContact CZ3-CZ 3.75Å; Y341-V349 HydrophobicContact CD1-CG1 3.79Å; Y341-V349 HydrophobicContact CG-CG1 4.4Å; Y341-H350 CarbonylContact C-O 3.01Å; Y341-H350 WeakPolarHBondContact CA-O 3.43Å; Y341-A351 HydrophobicContact CD1-CB 4.12Å; Y341-A351 HydrophobicContact CE1-CB 3.7Å
342	V	93.8	Very high	90.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.7	178.1	-173.9	0	0	0	0	108.1	L311 F327 V330 V333 H350 L352	L311-V342 HydrophobicContact CD1-CG1 4.2Å; L311-V342 HydrophobicContact CD1-CG2 3.5Å; L311-V342 VanDerWaalsContact CD1-CG2 3.5Å; F327-V342 HydrophobicContact CD1-CG1 4Å; F327-V342 HydrophobicContact CD2-CG1 4.5Å; F327-V342 HydrophobicContact CE1-CB 4.14Å; F327-V342 HydrophobicContact CE1-CG1 3.95Å; F327-V342 HydrophobicContact CE1-CG2 4.49Å; F327-V342 HydrophobicContact CE2-CG1 4.45Å; F327-V342 HydrophobicContact CG-CG1 4.28Å; F327-V342 HydrophobicContact CZ-CB 4.26Å; F327-V342 HydrophobicContact CZ-CG1 4.18Å; F327-V342 HydrophobicContact CZ-CG2 4.12Å; V330-V342 HydrophobicContact CB-CG1 4.48Å; V330-V342 HydrophobicContact CG1-CG1 3.73Å; V330-V342 HydrophobicContact CG2-CG1 3.97Å; V333-V342 HydrophobicContact CG2-CG1 4.49Å; V333-V342 HydrophobicContact CG2-CG2 4.44Å; V342-H350 HydrophobicContact CB-CB 4.29Å; V342-H350 PolarHBondContact N-O 3.48Å; V342-H350 PolarHBondContact O-N 2.76Å; V342-L352 HydrophobicContact CG2-CD1 3.87Å; V342-L352 HydrophobicContact CG2-CG 4.21Å
343	L	91.6	Very high	90.8	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.2	178	-72.5	88.9	0	0	0	109.7	L45 F61 V330 V331 D332 L334 V349	L45-L343 HydrophobicContact CD1-CD2 3.34Å; L45-L343 HydrophobicContact CD1-CG 4.21Å; F61-L343 HydrophobicContact CD1-CD2 3.92Å; F61-L343 HydrophobicContact CE1-CD1 4.39Å; F61-L343 HydrophobicContact CE1-CD2 3.4Å; F61-L343 HydrophobicContact CE1-CG 4.47Å; F61-L343 HydrophobicContact CZ-CD2 4.12Å; V330-L343 CarbonylContact C-O 3.53Å; V330-L343 WeakPolarHBondContact CA-O 3.35Å; V331-L343 HydrophobicContact CB-CB 4.36Å; V331-L343 PolarHBondContact N-O 2.84Å; D332-L343 PolarHBondContact N-O 2.78Å; D332-L343 PolarHBondContact O-N 2.82Å; L334-L343 HydrophobicContact CD1-CD1 3.74Å; L334-L343 HydrophobicContact CG-CD1 3.97Å; L343-V349 HydrophobicContact CG-CG2 4.46Å
344	T	90.4	Very high	90.7	Very high	8 Å²	8	36.3 Å²	36.3	5%	0.049	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	155.4	176.5	45.4	0	0	0	0	110.8	F327 E328 D329 D346 G347 R348	F327-T344 HydrophobicContact CD1-CG2 4.18Å; E328-T344 WeakPolarHBondContact O-CG2 3.43Å; D329-T344 WeakPolarHBondContact O-CA 3.39Å; T344-D346 WeakPolarHBondContact CB-OD1 3.3Å; T344-D346 PolarHBondContact O-N 2.94Å; T344-D346 VanDerWaalsContact O-N 3.15Å; T344-D346 PolarHBondContact OG1-OD1 3.31Å; T344-G347 PolarHBondContact O-N 2.89Å; T344-R348 PolarHBondContact N-O 2.57Å; T344-R348 PolarHBondContact OG1-O 3Å
345	R	85.4	Confident	90.6	Very high	197 Å²	197	38 Å²	38	74%	0.743	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.2	-174.3	-168.9	172.6	-175.1	-179.1	2.8	113.9	D329 V331 G347	D329-R345 HydrophobicContact CB-CB 3.9Å; D329-R345 PolarHBondContact O-N 3.2Å; V331-R345 HydrophobicContact CG2-CB 4.04Å; R345-G347 PolarHBondContact O-N 2.69Å
346	D	82.7	Confident	90.5	Very high	71 Å²	71	40.9 Å²	40.9	38%	0.38	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	5.2	171.9	68.6	-14.3	0	0	0	113.6	T344 R348	T344-D346 WeakPolarHBondContact CB-OD1 3.3Å; T344-D346 PolarHBondContact O-N 2.94Å; T344-D346 VanDerWaalsContact O-N 3.15Å; T344-D346 PolarHBondContact OG1-OD1 3.31Å; D346-R348 VanDerWaalsContact C-N 3.28Å; D346-R348 PolarHBondContact O-N 3.3Å; D346-R348 WeakPolarHBondContact OD1-CB 3.44Å; D346-R348 PolarHBondContact OD1-N 2.93Å; D346-R348 WeakPolarHBondContact OD2-CD 3.33Å; D346-R348 WeakPolarHBondContact OD2-CG 3.47Å; D346-R348 IonicContact OD2-CZ 3.8Å; D346-R348 IonicContact OD2-NE 2.79Å; D346-R348 PolarHBondContact OD2-NE 3.37Å; D346-R348 IonicContact OD2-NH1 3.09Å; D346-R348 PolarHBondContact OD2-NH1 2.71Å
347	G	81.2	Confident	90.2	Very high	11 Å²	11	41 Å²	41	11%	0.113	20%	0.195	C	C	.	.	S	Bend	trans	81.1	4.7	178.5	0	0	0	0	0	113.7	C44 L45 T344 R345	C44-G347 WeakPolarHBondContact CA-O 3.22Å; L45-G347 PolarHBondContact N-O 3.42Å; T344-G347 PolarHBondContact O-N 2.89Å; R345-G347 PolarHBondContact O-N 2.69Å
348	R	88.1	Confident	90	Very high	113 Å²	113	45.3 Å²	45.3	43%	0.426	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-84	150.6	179.2	-63.8	-175.4	-171.4	140.3	-6.9	111.9	L17 T344 D346	L17-R348 HydrophobicContact CD1-CB 3.92Å; L17-R348 HydrophobicContact CD1-CG 4.37Å; T344-R348 PolarHBondContact N-O 2.57Å; T344-R348 PolarHBondContact OG1-O 3Å; D346-R348 VanDerWaalsContact C-N 3.28Å; D346-R348 PolarHBondContact O-N 3.3Å; D346-R348 WeakPolarHBondContact OD1-CB 3.44Å; D346-R348 PolarHBondContact OD1-N 2.93Å; D346-R348 WeakPolarHBondContact OD2-CD 3.33Å; D346-R348 WeakPolarHBondContact OD2-CG 3.47Å; D346-R348 IonicContact OD2-CZ 3.8Å; D346-R348 IonicContact OD2-NE 2.79Å; D346-R348 PolarHBondContact OD2-NE 3.37Å; D346-R348 IonicContact OD2-NH1 3.09Å; D346-R348 PolarHBondContact OD2-NH1 2.71Å
349	V	90.8	Very high	90	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.6	176.8	-173.4	0	0	0	0	109.3	V18 L45 Y341 L343	V18-V349 HydrophobicContact CB-CB 4.31Å; V18-V349 WeakPolarHBondContact CB-O 3.49Å; V18-V349 HydrophobicContact CG2-CB 4.22Å; V18-V349 HydrophobicContact CG2-CG1 4.03Å; V18-V349 WeakPolarHBondContact CG2-O 3.47Å; V18-V349 PolarHBondContact N-O 2.82Å; L45-V349 HydrophobicContact CD1-CG2 3.5Å; L45-V349 HydrophobicContact CG-CG2 3.85Å; Y341-V349 HydrophobicContact CD1-CG1 3.79Å; Y341-V349 HydrophobicContact CG-CG1 4.4Å; L343-V349 HydrophobicContact CG-CG2 4.46Å
350	H	92	Very high	89.9	Confident	24 Å²	24	46.3 Å²	46.3	11%	0.111	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.5	174.5	-62.5	-78.8	0	0	0	110.5	E16 F327 Y341 V342	E16-H350 CarbonylContact O-C 3.35Å; E16-H350 WeakPolarHBondContact O-CA 3.39Å; F327-H350 AromaticContact CD1-CD2 3.85Å; F327-H350 HydrophobicContact CE1-CB 3.93Å; F327-H350 AromaticContact CE1-CD2 3.61Å; F327-H350 AromaticContact CE1-CG 3.77Å; Y341-H350 CarbonylContact C-O 3.01Å; Y341-H350 WeakPolarHBondContact CA-O 3.43Å; V342-H350 HydrophobicContact CB-CB 4.29Å; V342-H350 PolarHBondContact N-O 3.48Å; V342-H350 PolarHBondContact O-N 2.76Å
351	A	92.9	Very high	89.5	Confident	15 Å²	15	47 Å²	47	12%	0.124	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.7	171.5	0	0	0	0	0	109.8	E16 V18 L340 Y341	E16-A351 PolarHBondContact N-O 2.67Å; E16-A351 PolarHBondContact O-N 3.33Å; V18-A351 HydrophobicContact CG2-CB 4.01Å; L340-A351 CarbonylContact O-C 3.53Å; L340-A351 WeakPolarHBondContact O-CA 3.44Å; Y341-A351 HydrophobicContact CD1-CB 4.12Å; Y341-A351 HydrophobicContact CE1-CB 3.7Å
352	L	94.8	Very high	89.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	106.4	167.9	-55.1	178.3	0	0	0	107.9	F13 D14 K15 L311 I313 Y323 F327 L340 V342	F13-L352 HydrophobicContact CB-CB 4.42Å; F13-L352 HydrophobicContact CD1-CB 4.1Å; D14-L352 WeakPolarHBondContact O-CA 3.22Å; K15-L352 HydrophobicContact CB-CD2 3.65Å; K15-L352 HydrophobicContact CG-CD2 3.94Å; L311-L352 HydrophobicContact CD1-CD1 4.34Å; L311-L352 HydrophobicContact CD2-CD1 3.95Å; I313-L352 HydrophobicContact CD1-CD1 4.1Å; Y323-L352 HydrophobicContact CD1-CD1 4.15Å; Y323-L352 HydrophobicContact CD1-CD2 4.48Å; Y323-L352 HydrophobicContact CE1-CD1 3.99Å; Y323-L352 HydrophobicContact CE1-CD2 3.7Å; Y323-L352 HydrophobicContact CE1-CG 4.48Å; F327-L352 HydrophobicContact CZ-CD2 4.45Å; L340-L352 HydrophobicContact CB-CB 4.1Å; L340-L352 PolarHBondContact N-O 3.01Å; L340-L352 PolarHBondContact O-N 3.38Å; V342-L352 HydrophobicContact CG2-CD1 3.87Å; V342-L352 HydrophobicContact CG2-CG 4.21Å
353	Q	93.3	Very high	88.8	Confident	110 Å²	110	53 Å²	53	51%	0.514	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.8	179.6	-173	170.8	-2.2	0	0	109.9	F13 D14	F13-Q353 CarbonylContact C-O 3.59Å; F13-Q353 VanDerWaalsContact CA-O 3.22Å; F13-Q353 WeakPolarHBondContact CA-O 3.3Å; D14-Q353 PolarHBondContact N-O 3.19Å; D14-Q353 PolarHBondContact O-N 3.45Å
354	E	92.2	Very high	88.6	Confident	39 Å²	39	52.8 Å²	52.8	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130.9	176	-167.8	-177.3	-178.1	0	0	110.4	F13 Y282 K360	F13-E354 HydrophobicContact CD1-CB 4.04Å; F13-E354 HydrophobicContact CE1-CB 3.66Å; F13-E354 HydrophobicContact CE1-CG 4.07Å; F13-E354 HydrophobicContact CE2-CG 4.26Å; F13-E354 HydrophobicContact CZ-CB 4.02Å; F13-E354 HydrophobicContact CZ-CG 3.9Å; Y282-E354 VanDerWaalsContact CE2-OE1 3.23Å; Y282-E354 WeakPolarHBondContact CE2-OE1 3.31Å; Y282-E354 PolarHBondContact OH-OE1 3.08Å; E354-K360 VanDerWaalsContact CG-NZ 3.27Å; E354-K360 IonicContact OE1-NZ 3.02Å; E354-K360 PolarHBondContact OE1-NZ 3.49Å
355	K	92	Very high	88.4	Confident	39 Å²	39	54.2 Å²	54.2	17%	0.17	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-63.4	152.4	173.6	-71.8	179.9	176.4	159.4	0	111.3	V11 F12 D14 T359 K360 M363	V11-K355 PolarHBondContact O-NZ 2.94Å; F12-K355 WeakPolarHBondContact O-CB 3.34Å; F12-K355 PolarHBondContact O-N 3.48Å; D14-K355 WeakPolarHBondContact OD1-CE 3.36Å; D14-K355 IonicContact OD1-NZ 2.88Å; D14-K355 PolarHBondContact OD1-NZ 2.85Å; D14-K355 WeakPolarHBondContact OD2-CE 3.33Å; D14-K355 IonicContact OD2-NZ 3.22Å; K355-T359 HydrophobicContact CD-CG2 4.05Å; K355-K360 HydrophobicContact CB-CG 4.27Å; K355-K360 WeakPolarHBondContact O-CE 3.45Å; K355-K360 PolarHBondContact O-NZ 3.18Å; K355-M363 HydrophobicContact CD-SD 4.26Å
356	D	89.1	Confident	88.3	Confident	82 Å²	82	52.7 Å²	52.7	44%	0.439	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-63.3	155.8	171.8	68.6	-76.4	0	0	0	111.4	Q358 T359 K360	D356-Q358 VanDerWaalsContact C-N 3.3Å; D356-Q358 PolarHBondContact O-N 3.08Å; D356-Q358 WeakPolarHBondContact OD2-CB 3.23Å; D356-Q358 PolarHBondContact OD2-N 2.96Å; D356-Q358 VanDerWaalsContact OD2-N 3.13Å; D356-T359 VanDerWaalsContact CG-OG1 3.26Å; D356-T359 PolarHBondContact O-N 2.83Å; D356-T359 VanDerWaalsContact OD1-CB 3.23Å; D356-T359 WeakPolarHBondContact OD1-CB 3.48Å; D356-T359 PolarHBondContact OD1-OG1 2.95Å; D356-T359 PolarHBondContact OD2-N 3Å; D356-T359 PolarHBondContact OD2-OG1 2.89Å; D356-K360 WeakPolarHBondContact O-CG 3.2Å; D356-K360 PolarHBondContact O-N 2.91Å; D356-K360 VanDerWaalsContact O-N 3.14Å
357	T	85.9	Confident	88.4	Confident	39 Å²	39	54.8 Å²	54.8	24%	0.239	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-34.7	-176.1	-51.9	0	0	0	0	113	K360 L361 Q380 L382	T357-K360 PolarHBondContact O-N 2.86Å; T357-L361 HydrophobicContact CG2-CD1 4.09Å; T357-L361 HydrophobicContact CG2-CG 4.29Å; T357-L361 VanDerWaalsContact O-CG 3.31Å; T357-L361 WeakPolarHBondContact O-CG 3.44Å; T357-L361 PolarHBondContact O-N 3.36Å; T357-Q380 VanDerWaalsContact CB-OE1 3.3Å; T357-Q380 PolarHBondContact OG1-OE1 3.38Å; T357-L382 HydrophobicContact CG2-CD1 3.59Å
358	Q	86.4	Confident	88.5	Confident	147 Å²	147	58.6 Å²	58.6	69%	0.687	28%	0.279	S	S	*	.	H	α-helix	trans	-65.6	-47.8	-179.5	-63.4	179	-12.6	0	0	110.2	D356 K360 L361 E362	D356-Q358 VanDerWaalsContact C-N 3.3Å; D356-Q358 PolarHBondContact O-N 3.08Å; D356-Q358 WeakPolarHBondContact OD2-CB 3.23Å; D356-Q358 PolarHBondContact OD2-N 2.96Å; D356-Q358 VanDerWaalsContact OD2-N 3.13Å; Q358-K360 VanDerWaalsContact C-N 3.31Å; Q358-K360 PolarHBondContact O-N 3.47Å; Q358-L361 PolarHBondContact O-N 3.09Å; Q358-L361 VanDerWaalsContact O-N 3.12Å; Q358-E362 WeakPolarHBondContact O-CG 3.42Å; Q358-E362 PolarHBondContact O-N 3.17Å
359	T	88.5	Confident	88.4	Confident	48 Å²	48	54.9 Å²	54.9	29%	0.294	27%	0.267	S	S	.	.	H	α-helix	trans	-58.2	-41.9	174.7	-59.8	0	0	0	0	111.8	K355 D356 E362 M363	K355-T359 HydrophobicContact CD-CG2 4.05Å; D356-T359 VanDerWaalsContact CG-OG1 3.26Å; D356-T359 PolarHBondContact O-N 2.83Å; D356-T359 VanDerWaalsContact OD1-CB 3.23Å; D356-T359 WeakPolarHBondContact OD1-CB 3.48Å; D356-T359 PolarHBondContact OD1-OG1 2.95Å; D356-T359 PolarHBondContact OD2-N 3Å; D356-T359 PolarHBondContact OD2-OG1 2.89Å; T359-E362 PolarHBondContact O-N 2.95Å; T359-M363 HydrophobicContact CG2-SD 4.43Å; T359-M363 VanDerWaalsContact O-CG 3.25Å; T359-M363 WeakPolarHBondContact O-CG 3.33Å; T359-M363 PolarHBondContact O-N 3Å
360	K	88.3	Confident	88.1	Confident	3 Å²	3	55.4 Å²	55.4	1%	0.013	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-45.1	175.2	-66.9	176.5	-171.1	139.4	0	112	F12 E354 K355 D356 T357 Q358 M363 L364 L376	F12-K360 HydrophobicContact CB-CD 4.35Å; F12-K360 HydrophobicContact CB-CG 4.33Å; F12-K360 HydrophobicContact CD1-CB 4.23Å; F12-K360 HydrophobicContact CD1-CD 4.37Å; F12-K360 HydrophobicContact CD1-CG 3.72Å; F12-K360 HydrophobicContact CD2-CD 4.07Å; F12-K360 HydrophobicContact CD2-CG 4.3Å; F12-K360 HydrophobicContact CE1-CB 3.98Å; F12-K360 HydrophobicContact CE1-CG 4Å; F12-K360 HydrophobicContact CE2-CD 4.42Å; F12-K360 HydrophobicContact CG-CD 4.04Å; F12-K360 HydrophobicContact CG-CG 3.89Å; F12-K360 HydrophobicContact CZ-CB 4.22Å; F12-K360 HydrophobicContact CZ-CG 4.41Å; E354-K360 VanDerWaalsContact CG-NZ 3.27Å; E354-K360 IonicContact OE1-NZ 3.02Å; E354-K360 PolarHBondContact OE1-NZ 3.49Å; K355-K360 HydrophobicContact CB-CG 4.27Å; K355-K360 WeakPolarHBondContact O-CE 3.45Å; K355-K360 PolarHBondContact O-NZ 3.18Å; D356-K360 WeakPolarHBondContact O-CG 3.2Å; D356-K360 PolarHBondContact O-N 2.91Å; D356-K360 VanDerWaalsContact O-N 3.14Å; T357-K360 PolarHBondContact O-N 2.86Å; Q358-K360 VanDerWaalsContact C-N 3.31Å; Q358-K360 PolarHBondContact O-N 3.47Å; K360-M363 WeakPolarHBondContact O-CB 3.27Å; K360-M363 PolarHBondContact O-N 3.05Å; K360-L364 WeakPolarHBondContact O-CG 3.48Å; K360-L364 PolarHBondContact O-N 2.93Å; K360-L376 HydrophobicContact CB-CD2 3.98Å; K360-L376 HydrophobicContact CD-CD2 4.36Å
361	L	87.2	Confident	87.7	Confident	13 Å²	13	60.5 Å²	60.5	7%	0.068	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-44.1	177.9	-71.6	173.1	0	0	0	111.3	T357 Q358 M363 L364 F365 A373 L376 L382 I390	T357-L361 HydrophobicContact CG2-CD1 4.09Å; T357-L361 HydrophobicContact CG2-CG 4.29Å; T357-L361 VanDerWaalsContact O-CG 3.31Å; T357-L361 WeakPolarHBondContact O-CG 3.44Å; T357-L361 PolarHBondContact O-N 3.36Å; Q358-L361 PolarHBondContact O-N 3.09Å; Q358-L361 VanDerWaalsContact O-N 3.12Å; L361-M363 VanDerWaalsContact C-N 3.33Å; L361-M363 PolarHBondContact O-N 2.72Å; L361-L364 CarbonylContact O-C 3.56Å; L361-L364 WeakPolarHBondContact O-CA 3.42Å; L361-L364 WeakPolarHBondContact O-CB 3.49Å; L361-L364 PolarHBondContact O-N 3.01Å; L361-F365 HydrophobicContact CB-CD2 4.48Å; L361-F365 HydrophobicContact CB-CE2 3.81Å; L361-F365 HydrophobicContact CB-CZ 4.11Å; L361-F365 HydrophobicContact CD2-CZ 4.46Å; L361-F365 WeakPolarHBondContact O-CD2 3.32Å; L361-F365 VanDerWaalsContact O-CG 3.24Å; L361-F365 WeakPolarHBondContact O-CG 3.46Å; L361-F365 PolarHBondContact O-N 3.1Å; L361-A373 HydrophobicContact CD2-CB 3.81Å; L361-L376 HydrophobicContact CD2-CD2 4.49Å; L361-L382 HydrophobicContact CD1-CD2 4.01Å; L361-I390 HydrophobicContact CD1-CD1 4.14Å; L361-I390 HydrophobicContact CD2-CD1 3.94Å
362	E	86.1	Confident	87.3	Confident	103 Å²	103	61.2 Å²	61.2	48%	0.481	29%	0.294	S	S	.	.	H	α-helix	trans	-59.4	-41.6	174.3	-72.9	-175.4	-172.9	0	0	112.6	Q358 T359 L364 F365 K366	Q358-E362 WeakPolarHBondContact O-CG 3.42Å; Q358-E362 PolarHBondContact O-N 3.17Å; T359-E362 PolarHBondContact O-N 2.95Å; E362-L364 VanDerWaalsContact C-N 3.26Å; E362-L364 PolarHBondContact O-N 3.06Å; E362-F365 PolarHBondContact O-N 2.83Å; E362-K366 WeakPolarHBondContact O-CB 3.23Å; E362-K366 WeakPolarHBondContact O-CG 3.46Å; E362-K366 PolarHBondContact O-N 2.86Å
363	M	86.7	Confident	86.8	Confident	45 Å²	45	61.2 Å²	61.2	22%	0.222	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-36.6	174.4	-71.4	178.4	81.2	0	0	111.7	V11 F12 K355 T359 K360 L361 K367	V11-M363 HydrophobicContact CB-CE 4.4Å; F12-M363 HydrophobicContact CD1-SD 4.35Å; F12-M363 HydrophobicContact CE1-SD 4.48Å; K355-M363 HydrophobicContact CD-SD 4.26Å; T359-M363 HydrophobicContact CG2-SD 4.43Å; T359-M363 VanDerWaalsContact O-CG 3.25Å; T359-M363 WeakPolarHBondContact O-CG 3.33Å; T359-M363 PolarHBondContact O-N 3Å; K360-M363 WeakPolarHBondContact O-CB 3.27Å; K360-M363 PolarHBondContact O-N 3.05Å; L361-M363 VanDerWaalsContact C-N 3.33Å; L361-M363 PolarHBondContact O-N 2.72Å; M363-K367 PolarHBondContact O-N 3.13Å
364	L	86.6	Confident	86.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-71.9	-40.4	175.6	-67.5	173	0	0	0	111.9	F10 F12 K360 L361 E362 K367 N368 L369 M372 A373 L376	F10-L364 HydrophobicContact CD1-CD2 4.17Å; F10-L364 HydrophobicContact CE1-CD2 3.47Å; F10-L364 VanDerWaalsContact CE1-CD2 3.47Å; F10-L364 HydrophobicContact CE2-CD2 4.47Å; F10-L364 HydrophobicContact CZ-CD2 3.65Å; F12-L364 HydrophobicContact CZ-CD1 4.42Å; F12-L364 HydrophobicContact CZ-CD2 4.29Å; F12-L364 HydrophobicContact CZ-CG 4.3Å; K360-L364 WeakPolarHBondContact O-CG 3.48Å; K360-L364 PolarHBondContact O-N 2.93Å; L361-L364 CarbonylContact O-C 3.56Å; L361-L364 WeakPolarHBondContact O-CA 3.42Å; L361-L364 WeakPolarHBondContact O-CB 3.49Å; L361-L364 PolarHBondContact O-N 3.01Å; E362-L364 VanDerWaalsContact C-N 3.26Å; E362-L364 PolarHBondContact O-N 3.06Å; L364-K367 CarbonylContact O-C 3.54Å; L364-K367 PolarHBondContact O-N 3.46Å; L364-N368 PolarHBondContact O-N 2.78Å; L364-N368 VanDerWaalsContact O-N 3.11Å; L364-L369 HydrophobicContact CD2-CB 4.13Å; L364-L369 HydrophobicContact CD2-CD1 4.29Å; L364-L369 PolarHBondContact O-N 3.12Å; L364-M372 HydrophobicContact CD1-CG 4.35Å; L364-M372 HydrophobicContact CD2-CB 4.29Å; L364-M372 HydrophobicContact CD2-CG 4.12Å; L364-A373 HydrophobicContact CB-CB 4.09Å; L364-A373 HydrophobicContact CD1-CB 4.01Å; L364-L376 HydrophobicContact CD1-CB 4.49Å; L364-L376 HydrophobicContact CD1-CD2 3.76Å
365	F	85.6	Confident	86.1	Confident	38 Å²	38	58.3 Å²	58.3	17%	0.167	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-43.3	176.2	-61.5	-36.8	0	0	0	112.2	L361 E362 K367 N368 F370 A373 I390 Q393	L361-F365 HydrophobicContact CB-CD2 4.48Å; L361-F365 HydrophobicContact CB-CE2 3.81Å; L361-F365 HydrophobicContact CB-CZ 4.11Å; L361-F365 HydrophobicContact CD2-CZ 4.46Å; L361-F365 WeakPolarHBondContact O-CD2 3.32Å; L361-F365 VanDerWaalsContact O-CG 3.24Å; L361-F365 WeakPolarHBondContact O-CG 3.46Å; L361-F365 PolarHBondContact O-N 3.1Å; E362-F365 PolarHBondContact O-N 2.83Å; F365-K367 PolarHBondContact O-N 3.21Å; F365-N368 PolarHBondContact O-N 3.14Å; F365-F370 AromaticContact CD1-CD1 3.63Å; F365-F370 HydrophobicContact CD1-CD1 3.63Å; F365-F370 AromaticContact CD1-CE1 3.47Å; F365-F370 HydrophobicContact CD1-CE1 3.47Å; F365-F370 VanDerWaalsContact CD1-CE1 3.47Å; F365-F370 HydrophobicContact CD1-CZ 4.4Å; F365-F370 AromaticContact CE1-CD1 3.83Å; F365-F370 HydrophobicContact CE1-CD1 3.83Å; F365-F370 HydrophobicContact CE1-CE1 4.02Å; F365-F370 HydrophobicContact CG-CE1 4.34Å; F365-A373 HydrophobicContact CD1-CB 4.39Å; F365-A373 HydrophobicContact CE1-CB 3.72Å; F365-A373 HydrophobicContact CZ-CB 4.32Å; F365-I390 HydrophobicContact CE1-CG2 4.01Å; F365-I390 HydrophobicContact CZ-CB 4.46Å; F365-I390 HydrophobicContact CZ-CD1 4.5Å; F365-I390 HydrophobicContact CZ-CG1 3.98Å; F365-I390 HydrophobicContact CZ-CG2 4.17Å; F365-Q393 VanDerWaalsContact CD2-OE1 3.28Å; F365-Q393 VanDerWaalsContact CE2-OE1 3.23Å
366	K	85	Confident	85.7	Confident	165 Å²	165	56.5 Å²	56.5	72%	0.717	28%	0.275	S	S	*	.	H	α-helix	trans	-58.6	-30	174.2	-74.2	173.5	-176.7	168.2	0	112.6	E362	E362-K366 WeakPolarHBondContact O-CB 3.23Å; E362-K366 WeakPolarHBondContact O-CG 3.46Å; E362-K366 PolarHBondContact O-N 2.86Å
367	K	84.4	Confident	85.5	Confident	116 Å²	116	52.6 Å²	52.6	50%	0.504	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	4.1	176.1	-68	-174.3	177.1	-174	0	113.8	F10 M363 L364 F365 L369	F10-K367 HydrophobicContact CE1-CD 4.28Å; M363-K367 PolarHBondContact O-N 3.13Å; L364-K367 CarbonylContact O-C 3.54Å; L364-K367 PolarHBondContact O-N 3.46Å; F365-K367 PolarHBondContact O-N 3.21Å; K367-L369 VanDerWaalsContact C-N 3.26Å; K367-L369 HydrophobicContact CB-CD1 4.23Å; K367-L369 HydrophobicContact CB-CG 4.02Å; K367-L369 PolarHBondContact O-N 2.93Å
368	N	83.6	Confident	85.2	Confident	91 Å²	91	56 Å²	56	49%	0.487	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	32	-175.5	-55.8	-60.4	0	0	0	114.3	L364 F365 F370 H397	L364-N368 PolarHBondContact O-N 2.78Å; L364-N368 VanDerWaalsContact O-N 3.11Å; F365-N368 PolarHBondContact O-N 3.14Å; N368-F370 HydrophobicContact CB-CE2 4.15Å; N368-F370 PolarHBondContact O-N 2.84Å; N368-H397 PolarHBondContact OD1-CE1 2.89Å
369	L	84.6	Confident	84.8	Confident	34 Å²	34	51.6 Å²	51.6	18%	0.178	25%	0.251	C	S	.	.			trans	-97.9	59.9	-178.2	-61.7	-174.5	0	0	0	112.3	F10 L364 K367 E371 M372 A373	F10-L369 HydrophobicContact CE1-CD1 3.85Å; F10-L369 HydrophobicContact CZ-CD1 3.64Å; L364-L369 HydrophobicContact CD2-CB 4.13Å; L364-L369 HydrophobicContact CD2-CD1 4.29Å; L364-L369 PolarHBondContact O-N 3.12Å; K367-L369 VanDerWaalsContact C-N 3.26Å; K367-L369 HydrophobicContact CB-CD1 4.23Å; K367-L369 HydrophobicContact CB-CG 4.02Å; K367-L369 PolarHBondContact O-N 2.93Å; L369-E371 PolarHBondContact O-N 2.96Å; L369-M372 HydrophobicContact CB-CB 4.24Å; L369-M372 PolarHBondContact O-N 2.94Å; L369-A373 PolarHBondContact O-N 3.2Å
370	F	85.3	Confident	84.2	Confident	13 Å²	13	52 Å²	52	6%	0.057	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-37	-173.3	-64.6	-82.9	0	0	0	114.2	F365 N368 M372 A373 I374 Q393 Y394 H397	F365-F370 AromaticContact CD1-CD1 3.63Å; F365-F370 HydrophobicContact CD1-CD1 3.63Å; F365-F370 AromaticContact CD1-CE1 3.47Å; F365-F370 HydrophobicContact CD1-CE1 3.47Å; F365-F370 VanDerWaalsContact CD1-CE1 3.47Å; F365-F370 HydrophobicContact CD1-CZ 4.4Å; F365-F370 AromaticContact CE1-CD1 3.83Å; F365-F370 HydrophobicContact CE1-CD1 3.83Å; F365-F370 HydrophobicContact CE1-CE1 4.02Å; F365-F370 HydrophobicContact CG-CE1 4.34Å; N368-F370 HydrophobicContact CB-CE2 4.15Å; N368-F370 PolarHBondContact O-N 2.84Å; F370-M372 VanDerWaalsContact C-N 3.33Å; F370-M372 PolarHBondContact O-N 3.04Å; F370-A373 WeakPolarHBondContact O-CB 3.39Å; F370-A373 PolarHBondContact O-N 2.68Å; F370-A373 VanDerWaalsContact O-N 3.17Å; F370-I374 VanDerWaalsContact O-CG1 3.3Å; F370-I374 WeakPolarHBondContact O-CG1 3.15Å; F370-I374 PolarHBondContact O-N 2.87Å; F370-Q393 HydrophobicContact CE1-CB 4.15Å; F370-Y394 HydrophobicContact CB-CD1 4.21Å; F370-Y394 HydrophobicContact CB-CD2 3.36Å; F370-Y394 HydrophobicContact CB-CE2 3.86Å; F370-Y394 HydrophobicContact CB-CG 3.58Å; F370-Y394 HydrophobicContact CD1-CD2 4.2Å; F370-Y394 HydrophobicContact CD1-CG 4.32Å; F370-Y394 AromaticContact CD2-CD2 3.61Å; F370-Y394 HydrophobicContact CD2-CD2 3.61Å; F370-Y394 HydrophobicContact CD2-CE2 4.14Å; F370-Y394 HydrophobicContact CD2-CG 4.47Å; F370-Y394 HydrophobicContact CE2-CD2 4.46Å; F370-Y394 AromaticContact CG-CD2 3.45Å; F370-Y394 HydrophobicContact CG-CD2 3.45Å; F370-Y394 VanDerWaalsContact CG-CD2 3.45Å; F370-Y394 HydrophobicContact CG-CE2 4.22Å; F370-Y394 AromaticContact CG-CG 3.89Å; F370-Y394 HydrophobicContact CG-CG 3.89Å; F370-H397 HydrophobicContact CE2-CB 3.74Å; F370-H397 AromaticContact CE2-CD2 3.73Å; F370-H397 AromaticContact CE2-CG 3.54Å; F370-H397 HydrophobicContact CZ-CB 3.82Å
371	E	84.3	Confident	83.5	Confident	131 Å²	131	59.8 Å²	59.8	61%	0.612	29%	0.286	S	S	*	.	H	α-helix	trans	-63.5	-40.2	176.8	-66.3	-174.7	165.9	0	0	112.1	L369 A373 I374 N375	L369-E371 PolarHBondContact O-N 2.96Å; E371-A373 VanDerWaalsContact C-N 3.33Å; E371-I374 PolarHBondContact O-N 2.89Å; E371-N375 PolarHBondContact O-N 2.75Å
372	M	82.6	Confident	83	Confident	30 Å²	30	61.6 Å²	61.6	15%	0.148	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-39.6	174.4	-164.8	74.4	79.6	0	0	110.8	N318 F320 L364 L369 F370 I374 N375 L376	N318-M372 HydrophobicContact CB-SD 4.13Å; F320-M372 HydrophobicContact CB-CE 4.37Å; F320-M372 HydrophobicContact CD1-CE 4.2Å; F320-M372 HydrophobicContact CD1-CG 4.32Å; F320-M372 HydrophobicContact CD1-SD 3.62Å; F320-M372 HydrophobicContact CE1-SD 4.17Å; L364-M372 HydrophobicContact CD1-CG 4.35Å; L364-M372 HydrophobicContact CD2-CB 4.29Å; L364-M372 HydrophobicContact CD2-CG 4.12Å; L369-M372 HydrophobicContact CB-CB 4.24Å; L369-M372 PolarHBondContact O-N 2.94Å; F370-M372 VanDerWaalsContact C-N 3.33Å; F370-M372 PolarHBondContact O-N 3.04Å; M372-I374 VanDerWaalsContact C-N 3.34Å; M372-I374 PolarHBondContact O-N 3.42Å; M372-N375 PolarHBondContact O-N 2.53Å; M372-L376 VanDerWaalsContact O-CB 3.26Å; M372-L376 WeakPolarHBondContact O-CB 3.39Å; M372-L376 PolarHBondContact O-N 3.13Å
373	A	85.9	Confident	82.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-40.1	176	0	0	0	0	0	111.9	L361 L364 F365 L369 F370 E371 A377 I390	L361-A373 HydrophobicContact CD2-CB 3.81Å; L364-A373 HydrophobicContact CB-CB 4.09Å; L364-A373 HydrophobicContact CD1-CB 4.01Å; F365-A373 HydrophobicContact CD1-CB 4.39Å; F365-A373 HydrophobicContact CE1-CB 3.72Å; F365-A373 HydrophobicContact CZ-CB 4.32Å; L369-A373 PolarHBondContact O-N 3.2Å; F370-A373 WeakPolarHBondContact O-CB 3.39Å; F370-A373 PolarHBondContact O-N 2.68Å; F370-A373 VanDerWaalsContact O-N 3.17Å; E371-A373 VanDerWaalsContact C-N 3.33Å; A373-A377 VanDerWaalsContact O-CB 3.24Å; A373-A377 WeakPolarHBondContact O-CB 3.32Å; A373-A377 PolarHBondContact O-N 3.08Å; A373-I390 HydrophobicContact CB-CG2 4.34Å
374	I	85.3	Confident	82.2	Confident	10 Å²	10	64 Å²	64	5%	0.051	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-45.7	175.1	-66.7	159.9	0	0	0	110.7	F370 E371 M372 A377 K378 I390 F391 Y394	F370-I374 VanDerWaalsContact O-CG1 3.3Å; F370-I374 WeakPolarHBondContact O-CG1 3.15Å; F370-I374 PolarHBondContact O-N 2.87Å; E371-I374 PolarHBondContact O-N 2.89Å; M372-I374 VanDerWaalsContact C-N 3.34Å; M372-I374 PolarHBondContact O-N 3.42Å; I374-A377 PolarHBondContact O-N 3.23Å; I374-K378 HydrophobicContact CG2-CD 4.2Å; I374-K378 WeakPolarHBondContact O-CB 3.38Å; I374-K378 WeakPolarHBondContact O-CG 3.47Å; I374-K378 PolarHBondContact O-N 3.18Å; I374-I390 HydrophobicContact CG1-CG2 3.6Å; I374-F391 HydrophobicContact CD1-CD1 3.94Å; I374-F391 HydrophobicContact CD1-CE1 3.54Å; I374-F391 HydrophobicContact CD1-CZ 4.32Å; I374-F391 HydrophobicContact CG1-CE1 4.09Å; I374-F391 HydrophobicContact CG1-CZ 4.45Å; I374-F391 HydrophobicContact CG2-CE1 4.31Å; I374-F391 HydrophobicContact CG2-CZ 4.03Å; I374-Y394 HydrophobicContact CD1-CD1 4.13Å
375	N	84.4	Confident	81.9	Confident	77 Å²	77	67.9 Å²	67.9	41%	0.412	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-42	179.5	-68.3	-19.9	0	0	0	111.6	N318 E371 M372 A377 K378 S379	N318-N375 VanDerWaalsContact OD1-CB 3.28Å; N318-N375 WeakPolarHBondContact OD1-CB 3.46Å; E371-N375 PolarHBondContact O-N 2.75Å; M372-N375 PolarHBondContact O-N 2.53Å; N375-A377 PolarHBondContact O-N 3.31Å; N375-K378 PolarHBondContact O-N 2.63Å; N375-S379 WeakPolarHBondContact O-CB 3.31Å; N375-S379 PolarHBondContact O-N 2.85Å; N375-S379 PolarHBondContact O-OG 3.17Å
376	L	83	Confident	81.6	Confident	1 Å²	1	67 Å²	67	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-42.7	174.7	-173.4	68	0	0	0	111.9	F12 F320 K360 L361 L364 M372 S379 Q380	F12-L376 HydrophobicContact CE2-CD2 4.5Å; F320-L376 HydrophobicContact CZ-CD1 4.33Å; K360-L376 HydrophobicContact CB-CD2 3.98Å; K360-L376 HydrophobicContact CD-CD2 4.36Å; L361-L376 HydrophobicContact CD2-CD2 4.49Å; L364-L376 HydrophobicContact CD1-CB 4.49Å; L364-L376 HydrophobicContact CD1-CD2 3.76Å; M372-L376 VanDerWaalsContact O-CB 3.26Å; M372-L376 WeakPolarHBondContact O-CB 3.39Å; M372-L376 PolarHBondContact O-N 3.13Å; L376-S379 WeakPolarHBondContact CA-OG 3.33Å; L376-S379 PolarHBondContact O-N 3.42Å; L376-S379 PolarHBondContact O-OG 2.89Å; L376-Q380 WeakPolarHBondContact O-CB 3.26Å; L376-Q380 WeakPolarHBondContact O-CG 3.36Å; L376-Q380 PolarHBondContact O-N 3Å
377	A	84.8	Confident	81.6	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-39	177.4	0	0	0	0	0	112	A373 I374 N375 H381 L382 L387 I390	A373-A377 VanDerWaalsContact O-CB 3.24Å; A373-A377 WeakPolarHBondContact O-CB 3.32Å; A373-A377 PolarHBondContact O-N 3.08Å; I374-A377 PolarHBondContact O-N 3.23Å; N375-A377 PolarHBondContact O-N 3.31Å; A377-H381 PolarHBondContact O-N 3.4Å; A377-L382 HydrophobicContact CB-CB 4.2Å; A377-L382 HydrophobicContact CB-CD2 4.38Å; A377-L382 PolarHBondContact O-N 3.48Å; A377-L387 HydrophobicContact CB-CD2 3.55Å; A377-I390 HydrophobicContact CB-CD1 3.42Å; A377-I390 VanDerWaalsContact CB-CD1 3.42Å
378	K	81.4	Confident	81.7	Confident	112 Å²	112	55.7 Å²	55.7	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-65.5	-43.8	173.6	-74.5	176.8	178.6	-177	0	112.3	I374 N375 Q380 H381 L387	I374-K378 HydrophobicContact CG2-CD 4.2Å; I374-K378 WeakPolarHBondContact O-CB 3.38Å; I374-K378 WeakPolarHBondContact O-CG 3.47Å; I374-K378 PolarHBondContact O-N 3.18Å; N375-K378 PolarHBondContact O-N 2.63Å; K378-Q380 VanDerWaalsContact C-N 3.29Å; K378-Q380 PolarHBondContact O-N 3.46Å; K378-H381 PolarHBondContact O-N 2.94Å; K378-L387 HydrophobicContact CG-CD2 4.2Å
379	S	76.3	Confident	81.7	Confident	53 Å²	53	57.3 Å²	57.3	37%	0.371	30%	0.299	S	S	.	.	H	α-helix	trans	-68.2	-29.8	-179	63.7	0	0	0	0	112.5	N318 N375 L376 H381	N318-S379 PolarHBondContact ND2-OG 3.24Å; N375-S379 WeakPolarHBondContact O-CB 3.31Å; N375-S379 PolarHBondContact O-N 2.85Å; N375-S379 PolarHBondContact O-OG 3.17Å; L376-S379 WeakPolarHBondContact CA-OG 3.33Å; L376-S379 PolarHBondContact O-N 3.42Å; L376-S379 PolarHBondContact O-OG 2.89Å; S379-H381 VanDerWaalsContact C-N 3.3Å
380	Q	76.1	Confident	81.9	Confident	56 Å²	56	56 Å²	56	26%	0.262	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	11.7	176.1	-64.8	-176	8.5	0	0	113.2	T357 L376 K378 L382	T357-Q380 VanDerWaalsContact CB-OE1 3.3Å; T357-Q380 PolarHBondContact OG1-OE1 3.38Å; L376-Q380 WeakPolarHBondContact O-CB 3.26Å; L376-Q380 WeakPolarHBondContact O-CG 3.36Å; L376-Q380 PolarHBondContact O-N 3Å; K378-Q380 VanDerWaalsContact C-N 3.29Å; K378-Q380 PolarHBondContact O-N 3.46Å; Q380-L382 VanDerWaalsContact C-N 3.26Å; Q380-L382 HydrophobicContact CB-CD1 4.2Å; Q380-L382 PolarHBondContact O-N 3.31Å
381	H	74.7	Confident	82	Confident	167 Å²	167	56.2 Å²	56.2	77%	0.773	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	42.1	179.2	-58.8	-68.4	0	0	0	113.6	A377 K378 S379	A377-H381 PolarHBondContact O-N 3.4Å; K378-H381 PolarHBondContact O-N 2.94Å; S379-H381 VanDerWaalsContact C-N 3.3Å
382	L	76.3	Confident	82.3	Confident	52 Å²	52	52.1 Å²	52.1	27%	0.272	28%	0.275	S	S	.	.			trans	-60	143.8	172.5	-105.9	80.9	0	0	0	110.6	T357 L361 A377 Q380	T357-L382 HydrophobicContact CG2-CD1 3.59Å; L361-L382 HydrophobicContact CD1-CD2 4.01Å; A377-L382 HydrophobicContact CB-CB 4.2Å; A377-L382 HydrophobicContact CB-CD2 4.38Å; A377-L382 PolarHBondContact O-N 3.48Å; Q380-L382 VanDerWaalsContact C-N 3.26Å; Q380-L382 HydrophobicContact CB-CD1 4.2Å; Q380-L382 PolarHBondContact O-N 3.31Å
383	D	78.8	Confident	82.4	Confident	127 Å²	127	54.4 Å²	54.4	68%	0.679	29%	0.285	S	S	*	.			trans	-54.3	151.6	176.2	-63.9	-38.9	0	0	0	111.7	D385 G386 L387	D383-D385 PolarHBondContact O-N 3.12Å; D383-G386 PolarHBondContact O-N 2.93Å; D383-L387 PolarHBondContact O-N 3.34Å; D383-L387 VanDerWaalsContact O-N 3.09Å
384	S	77.4	Confident	82.6	Confident	71 Å²	71	56.1 Å²	56.1	50%	0.497	29%	0.292	S	S	.	.	H	α-helix	trans	-51.9	-30.4	175.8	62	0	0	0	0	113.2	L387 A388 K417	S384-L387 PolarHBondContact O-N 3.32Å; S384-A388 WeakPolarHBondContact O-CB 3.38Å; S384-A388 PolarHBondContact O-N 2.86Å; S384-K417 WeakPolarHBondContact OG-CE 3.44Å
385	D	79.7	Confident	82.8	Confident	82 Å²	82	55.7 Å²	55.7	44%	0.439	29%	0.289	S	S	.	.	H	α-helix	trans	-70.1	-43	177.4	-65.5	-8.5	0	0	0	111.9	D383 A388 Q389 K417	D383-D385 PolarHBondContact O-N 3.12Å; D385-A388 PolarHBondContact O-N 3.41Å; D385-Q389 WeakPolarHBondContact O-CG 3.41Å; D385-Q389 PolarHBondContact O-N 3.36Å; D385-Q389 VanDerWaalsContact O-N 3.15Å; D385-K417 WeakPolarHBondContact OD1-CD 3.47Å; D385-K417 WeakPolarHBondContact OD1-CE 3.28Å; D385-K417 IonicContact OD1-NZ 3.13Å; D385-K417 PolarHBondContact OD1-NZ 3.05Å
386	G	80.4	Confident	83	Confident	18 Å²	18	53.5 Å²	53.5	19%	0.186	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-46.5	173.6	0	0	0	0	0	110.9	D383 A388 Q389 I390	D383-G386 PolarHBondContact O-N 2.93Å; G386-A388 VanDerWaalsContact C-N 3.35Å; G386-A388 PolarHBondContact O-N 3.13Å; G386-Q389 WeakPolarHBondContact O-CB 3.5Å; G386-Q389 PolarHBondContact O-N 2.83Å; G386-I390 WeakPolarHBondContact O-CG1 3.37Å; G386-I390 PolarHBondContact O-N 2.91Å
387	L	84.8	Confident	83.3	Confident	33 Å²	33	56.2 Å²	56.2	17%	0.173	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-39.9	176.5	-74.9	171.1	0	0	0	112.9	A377 K378 D383 S384 Q389 I390 F391	A377-L387 HydrophobicContact CB-CD2 3.55Å; K378-L387 HydrophobicContact CG-CD2 4.2Å; D383-L387 PolarHBondContact O-N 3.34Å; D383-L387 VanDerWaalsContact O-N 3.09Å; S384-L387 PolarHBondContact O-N 3.32Å; L387-Q389 VanDerWaalsContact C-N 3.31Å; L387-Q389 PolarHBondContact O-N 3.14Å; L387-I390 WeakPolarHBondContact O-CB 3.34Å; L387-I390 PolarHBondContact O-N 3.42Å; L387-F391 HydrophobicContact CB-CE2 4.46Å; L387-F391 WeakPolarHBondContact O-CD2 3.27Å; L387-F391 PolarHBondContact O-N 3.15Å
388	A	85.1	Confident	83.4	Confident	12 Å²	12	57 Å²	57	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-39	177.2	0	0	0	0	0	112	S384 D385 G386 F391 M392 T414 K417	S384-A388 WeakPolarHBondContact O-CB 3.38Å; S384-A388 PolarHBondContact O-N 2.86Å; D385-A388 PolarHBondContact O-N 3.41Å; G386-A388 VanDerWaalsContact C-N 3.35Å; G386-A388 PolarHBondContact O-N 3.13Å; A388-F391 PolarHBondContact O-N 3.38Å; A388-M392 WeakPolarHBondContact O-CB 3.49Å; A388-M392 PolarHBondContact O-N 3.39Å; A388-T414 WeakPolarHBondContact O-CG2 3.44Å; A388-K417 HydrophobicContact CB-CB 3.83Å; A388-K417 HydrophobicContact CB-CG 4.26Å
389	Q	85.2	Confident	83.7	Confident	124 Å²	124	54.2 Å²	54.2	58%	0.579	28%	0.281	S	S	*	.	H	α-helix	trans	-63.8	-40	174.4	-67.8	177.8	11.7	0	0	112.1	D385 G386 L387 M392 Q393	D385-Q389 WeakPolarHBondContact O-CG 3.41Å; D385-Q389 PolarHBondContact O-N 3.36Å; D385-Q389 VanDerWaalsContact O-N 3.15Å; G386-Q389 WeakPolarHBondContact O-CB 3.5Å; G386-Q389 PolarHBondContact O-N 2.83Å; L387-Q389 VanDerWaalsContact C-N 3.31Å; L387-Q389 PolarHBondContact O-N 3.14Å; Q389-M392 PolarHBondContact O-N 3.3Å; Q389-Q393 WeakPolarHBondContact O-CG 3.28Å; Q389-Q393 PolarHBondContact O-N 2.64Å
390	I	87.8	Confident	84.3	Confident	6 Å²	6	56.7 Å²	56.7	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-46.3	175.7	-56.4	-176.1	0	0	0	110.6	L361 F365 A373 I374 A377 G386 L387 M392 Q393 Y394	L361-I390 HydrophobicContact CD1-CD1 4.14Å; L361-I390 HydrophobicContact CD2-CD1 3.94Å; F365-I390 HydrophobicContact CE1-CG2 4.01Å; F365-I390 HydrophobicContact CZ-CB 4.46Å; F365-I390 HydrophobicContact CZ-CD1 4.5Å; F365-I390 HydrophobicContact CZ-CG1 3.98Å; F365-I390 HydrophobicContact CZ-CG2 4.17Å; A373-I390 HydrophobicContact CB-CG2 4.34Å; I374-I390 HydrophobicContact CG1-CG2 3.6Å; A377-I390 HydrophobicContact CB-CD1 3.42Å; A377-I390 VanDerWaalsContact CB-CD1 3.42Å; G386-I390 WeakPolarHBondContact O-CG1 3.37Å; G386-I390 PolarHBondContact O-N 2.91Å; L387-I390 WeakPolarHBondContact O-CB 3.34Å; L387-I390 PolarHBondContact O-N 3.42Å; I390-M392 VanDerWaalsContact C-N 3.33Å; I390-M392 PolarHBondContact O-N 3.46Å; I390-Q393 PolarHBondContact O-N 2.82Å; I390-Y394 WeakPolarHBondContact O-CB 3.13Å; I390-Y394 PolarHBondContact O-N 3.4Å
391	F	88.1	Confident	84.9	Confident	18 Å²	18	61.7 Å²	61.7	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-64.6	-36.8	177.2	-74.6	-58.4	0	0	0	112.4	I374 L387 A388 Y394 G395 Q410 R413 T414	I374-F391 HydrophobicContact CD1-CD1 3.94Å; I374-F391 HydrophobicContact CD1-CE1 3.54Å; I374-F391 HydrophobicContact CD1-CZ 4.32Å; I374-F391 HydrophobicContact CG1-CE1 4.09Å; I374-F391 HydrophobicContact CG1-CZ 4.45Å; I374-F391 HydrophobicContact CG2-CE1 4.31Å; I374-F391 HydrophobicContact CG2-CZ 4.03Å; L387-F391 HydrophobicContact CB-CE2 4.46Å; L387-F391 WeakPolarHBondContact O-CD2 3.27Å; L387-F391 PolarHBondContact O-N 3.15Å; A388-F391 PolarHBondContact O-N 3.38Å; F391-Y394 PolarHBondContact O-N 2.94Å; F391-G395 PolarHBondContact O-N 3.49Å; F391-Q410 VanDerWaalsContact CD1-OE1 3.29Å; F391-R413 HydrophobicContact CD1-CB 4.38Å; F391-R413 HydrophobicContact CD2-CB 4.18Å; F391-R413 HydrophobicContact CE2-CB 4.36Å; F391-R413 HydrophobicContact CG-CB 4.21Å; F391-T414 HydrophobicContact CB-CG2 3.42Å; F391-T414 VanDerWaalsContact CB-CG2 3.42Å
392	M	89.1	Confident	85.4	Confident	46 Å²	46	55.7 Å²	55.7	23%	0.227	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-50.5	173.9	-178.1	-164.4	73.8	0	0	111.2	A388 Q389 I390 Y394 G395 D396 L418 Y422	A388-M392 WeakPolarHBondContact O-CB 3.49Å; A388-M392 PolarHBondContact O-N 3.39Å; Q389-M392 PolarHBondContact O-N 3.3Å; I390-M392 VanDerWaalsContact C-N 3.33Å; I390-M392 PolarHBondContact O-N 3.46Å; M392-Y394 VanDerWaalsContact C-N 3.31Å; M392-Y394 PolarHBondContact O-N 3.31Å; M392-G395 PolarHBondContact O-N 3.24Å; M392-D396 PolarHBondContact O-N 3.47Å; M392-L418 HydrophobicContact CB-CD2 4.48Å; M392-L418 HydrophobicContact CG-CD1 4.35Å; M392-L418 HydrophobicContact CG-CD2 4.12Å; M392-L418 HydrophobicContact SD-CD1 3.77Å; M392-Y422 HydrophobicContact CG-CE1 4.21Å
393	Q	86.5	Confident	86	Confident	77 Å²	77	57 Å²	57	36%	0.36	31%	0.31	S	S	.	.	H	α-helix	trans	-63	-38	178	-71.8	-174.7	-4.1	0	0	112.1	F365 F370 Q389 I390 D396 H397	F365-Q393 VanDerWaalsContact CD2-OE1 3.28Å; F365-Q393 VanDerWaalsContact CE2-OE1 3.23Å; F370-Q393 HydrophobicContact CE1-CB 4.15Å; Q389-Q393 WeakPolarHBondContact O-CG 3.28Å; Q389-Q393 PolarHBondContact O-N 2.64Å; I390-Q393 PolarHBondContact O-N 2.82Å; Q393-D396 PolarHBondContact O-N 2.85Å; Q393-H397 WeakPolarHBondContact O-CB 3.29Å; Q393-H397 PolarHBondContact O-N 2.95Å
394	Y	89.6	Confident	86.4	Confident	37 Å²	37	52.7 Å²	52.7	15%	0.145	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-43.5	175	-174.8	-150.4	0	0	0	111.6	F370 I374 I390 F391 M392 H397 L398 Q410	F370-Y394 HydrophobicContact CB-CD1 4.21Å; F370-Y394 HydrophobicContact CB-CD2 3.36Å; F370-Y394 HydrophobicContact CB-CE2 3.86Å; F370-Y394 HydrophobicContact CB-CG 3.58Å; F370-Y394 HydrophobicContact CD1-CD2 4.2Å; F370-Y394 HydrophobicContact CD1-CG 4.32Å; F370-Y394 AromaticContact CD2-CD2 3.61Å; F370-Y394 HydrophobicContact CD2-CD2 3.61Å; F370-Y394 HydrophobicContact CD2-CE2 4.14Å; F370-Y394 HydrophobicContact CD2-CG 4.47Å; F370-Y394 HydrophobicContact CE2-CD2 4.46Å; F370-Y394 AromaticContact CG-CD2 3.45Å; F370-Y394 HydrophobicContact CG-CD2 3.45Å; F370-Y394 VanDerWaalsContact CG-CD2 3.45Å; F370-Y394 HydrophobicContact CG-CE2 4.22Å; F370-Y394 AromaticContact CG-CG 3.89Å; F370-Y394 HydrophobicContact CG-CG 3.89Å; I374-Y394 HydrophobicContact CD1-CD1 4.13Å; I390-Y394 WeakPolarHBondContact O-CB 3.13Å; I390-Y394 PolarHBondContact O-N 3.4Å; F391-Y394 PolarHBondContact O-N 2.94Å; M392-Y394 VanDerWaalsContact C-N 3.31Å; M392-Y394 PolarHBondContact O-N 3.31Å; Y394-H397 PolarHBondContact O-N 3.25Å; Y394-L398 HydrophobicContact CD1-CD1 4.48Å; Y394-L398 HydrophobicContact CD2-CD1 4.08Å; Y394-L398 HydrophobicContact CD2-CG 4.01Å; Y394-L398 HydrophobicContact CE1-CD1 4.15Å; Y394-L398 HydrophobicContact CE2-CD1 3.71Å; Y394-L398 HydrophobicContact CE2-CD2 3.99Å; Y394-L398 HydrophobicContact CE2-CG 3.72Å; Y394-L398 HydrophobicContact CG-CD1 4.45Å; Y394-L398 WeakPolarHBondContact O-CG 3.48Å; Y394-L398 PolarHBondContact O-N 3.35Å; Y394-Q410 HydrophobicContact CD1-CB 4.46Å; Y394-Q410 VanDerWaalsContact CD1-CD 3.49Å; Y394-Q410 HydrophobicContact CD1-CG 3.48Å; Y394-Q410 VanDerWaalsContact CD1-CG 3.48Å; Y394-Q410 HydrophobicContact CE1-CG 3.8Å; Y394-Q410 HydrophobicContact CG-CG 4.18Å
395	G	88.8	Confident	86.9	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.2	-44.5	173.2	0	0	0	0	0	112.4	F391 M392 H397 L398 Y399 A407	F391-G395 PolarHBondContact O-N 3.49Å; M392-G395 PolarHBondContact O-N 3.24Å; G395-H397 PolarHBondContact O-N 3.04Å; G395-L398 PolarHBondContact O-N 3.01Å; G395-Y399 VanDerWaalsContact O-CB 3.25Å; G395-Y399 WeakPolarHBondContact O-CB 3.35Å; G395-Y399 PolarHBondContact O-N 3.2Å; G395-A407 WeakPolarHBondContact O-CB 3.2Å
396	D	88.5	Confident	87.3	Confident	32 Å²	32	50.6 Å²	50.6	17%	0.171	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-40.2	178.2	-74.2	-17.7	0	0	0	112.5	M392 Q393 Y399 S400 Y411 Y422 K426	M392-D396 PolarHBondContact O-N 3.47Å; Q393-D396 PolarHBondContact O-N 2.85Å; D396-Y399 PolarHBondContact O-N 3.2Å; D396-S400 WeakPolarHBondContact O-CB 3.45Å; D396-S400 PolarHBondContact O-N 2.62Å; D396-S400 PolarHBondContact O-OG 2.92Å; D396-Y411 WeakPolarHBondContact CA-OH 3.38Å; D396-Y411 PolarHBondContact N-OH 2.79Å; D396-Y411 PolarHBondContact OD1-OH 3.1Å; D396-Y422 VanDerWaalsContact CG-OH 3.27Å; D396-Y422 PolarHBondContact OD1-OH 3.35Å; D396-Y422 PolarHBondContact OD2-OH 2.64Å; D396-K426 IonicContact OD1-NZ 3.29Å; D396-K426 PolarHBondContact OD1-NZ 3.46Å; D396-K426 IonicContact OD2-NZ 3.91Å
397	H	89.4	Confident	87.8	Confident	58 Å²	58	49.8 Å²	49.8	27%	0.269	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-48.8	173.7	178	78.6	0	0	0	111.5	N368 F370 Q393 Y394 G395 Y399 S400 K401	N368-H397 PolarHBondContact OD1-CE1 2.89Å; F370-H397 HydrophobicContact CE2-CB 3.74Å; F370-H397 AromaticContact CE2-CD2 3.73Å; F370-H397 AromaticContact CE2-CG 3.54Å; F370-H397 HydrophobicContact CZ-CB 3.82Å; Q393-H397 WeakPolarHBondContact O-CB 3.29Å; Q393-H397 PolarHBondContact O-N 2.95Å; Y394-H397 PolarHBondContact O-N 3.25Å; G395-H397 PolarHBondContact O-N 3.04Å; H397-Y399 VanDerWaalsContact C-N 3.32Å; H397-Y399 PolarHBondContact O-N 3.44Å; H397-S400 PolarHBondContact O-N 2.92Å; H397-K401 WeakPolarHBondContact O-CB 3.43Å; H397-K401 PolarHBondContact O-N 2.8Å
398	L	87.9	Confident	88.1	Confident	17 Å²	17	48.4 Å²	48.4	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-39.4	178	-72	176.5	0	0	0	112.1	Y394 G395 K401 G402 N403 A407 Q410	Y394-L398 HydrophobicContact CD1-CD1 4.48Å; Y394-L398 HydrophobicContact CD2-CD1 4.08Å; Y394-L398 HydrophobicContact CD2-CG 4.01Å; Y394-L398 HydrophobicContact CE1-CD1 4.15Å; Y394-L398 HydrophobicContact CE2-CD1 3.71Å; Y394-L398 HydrophobicContact CE2-CD2 3.99Å; Y394-L398 HydrophobicContact CE2-CG 3.72Å; Y394-L398 HydrophobicContact CG-CD1 4.45Å; Y394-L398 WeakPolarHBondContact O-CG 3.48Å; Y394-L398 PolarHBondContact O-N 3.35Å; G395-L398 PolarHBondContact O-N 3.01Å; L398-K401 PolarHBondContact O-N 2.96Å; L398-G402 PolarHBondContact O-N 3.48Å; L398-N403 PolarHBondContact O-N 3.13Å; L398-A407 HydrophobicContact CB-CB 3.89Å; L398-Q410 HydrophobicContact CD1-CG 3.95Å
399	Y	87.9	Confident	88.3	Confident	53 Å²	53	53.5 Å²	53.5	21%	0.208	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-44.3	176.6	-173.5	-86.9	0	0	0	111.3	G395 D396 H397 K401 G402 H404 K426 F427 R432	G395-Y399 VanDerWaalsContact O-CB 3.25Å; G395-Y399 WeakPolarHBondContact O-CB 3.35Å; G395-Y399 PolarHBondContact O-N 3.2Å; D396-Y399 PolarHBondContact O-N 3.2Å; H397-Y399 VanDerWaalsContact C-N 3.32Å; H397-Y399 PolarHBondContact O-N 3.44Å; Y399-K401 VanDerWaalsContact C-N 3.27Å; Y399-K401 PolarHBondContact O-N 2.73Å; Y399-G402 PolarHBondContact O-N 3.04Å; Y399-G402 VanDerWaalsContact O-N 3.12Å; Y399-H404 AromaticContact CD2-ND1 3.62Å; Y399-H404 AromaticContact CE2-ND1 3.75Å; Y399-H404 PolarHBondContact O-CE1 2.85Å; Y399-K426 HydrophobicContact CE2-CB 3.99Å; Y399-K426 PolarHBondContact OH-O 3.31Å; Y399-F427 AromaticContact CD2-CE1 3.92Å; Y399-F427 HydrophobicContact CD2-CE1 3.92Å; Y399-F427 HydrophobicContact CD2-CE2 4.22Å; Y399-F427 AromaticContact CD2-CZ 3.58Å; Y399-F427 HydrophobicContact CD2-CZ 3.58Å; Y399-F427 HydrophobicContact CE2-CD1 4.25Å; Y399-F427 AromaticContact CE2-CE1 3.76Å; Y399-F427 HydrophobicContact CE2-CE1 3.76Å; Y399-F427 HydrophobicContact CE2-CE2 4.25Å; Y399-F427 AromaticContact CE2-CZ 3.76Å; Y399-F427 HydrophobicContact CE2-CZ 3.76Å; Y399-R432 PolarHBondContact OH-NH1 3.08Å
400	S	88.5	Confident	88.5	Confident	104 Å²	104	48.4 Å²	48.4	73%	0.727	25%	0.254	S	S	*	.	H	α-helix	trans	-66.2	-29.5	176.9	-55.8	0	0	0	0	112.5	D396 H397 G402	D396-S400 WeakPolarHBondContact O-CB 3.45Å; D396-S400 PolarHBondContact O-N 2.62Å; D396-S400 PolarHBondContact O-OG 2.92Å; H397-S400 PolarHBondContact O-N 2.92Å; S400-G402 VanDerWaalsContact C-N 3.26Å; S400-G402 PolarHBondContact O-N 2.87Å
401	K	88.7	Confident	88.6	Confident	161 Å²	161	48.1 Å²	48.1	70%	0.7	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.5	175.1	-163.2	176.6	178.6	-179.3	0	113.4	H397 L398 Y399	H397-K401 WeakPolarHBondContact O-CB 3.43Å; H397-K401 PolarHBondContact O-N 2.8Å; L398-K401 PolarHBondContact O-N 2.96Å; Y399-K401 VanDerWaalsContact C-N 3.27Å; Y399-K401 PolarHBondContact O-N 2.73Å
402	G	84.6	Confident	88.7	Confident	42 Å²	42	49.2 Å²	49.2	43%	0.433	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	1.8	-177.4	0	0	0	0	0	114.9	L398 Y399 S400 H404	L398-G402 PolarHBondContact O-N 3.48Å; Y399-G402 PolarHBondContact O-N 3.04Å; Y399-G402 VanDerWaalsContact O-N 3.12Å; S400-G402 VanDerWaalsContact C-N 3.26Å; S400-G402 PolarHBondContact O-N 2.87Å; G402-H404 VanDerWaalsContact C-N 3.34Å; G402-H404 PolarHBondContact O-CD2 2.96Å; G402-H404 PolarHBondContact O-N 3.17Å; G402-H404 VanDerWaalsContact O-N 3.11Å
403	N	88.5	Confident	88.5	Confident	79 Å²	79	54.2 Å²	54.2	42%	0.422	28%	0.275	S	S	.	.			trans	-85.8	79.5	172.9	-173.2	-9.1	0	0	0	109.7	L398 G406 A407	L398-N403 PolarHBondContact O-N 3.13Å; N403-G406 PolarHBondContact OD1-N 3.42Å; N403-A407 WeakPolarHBondContact O-CB 3.44Å; N403-A407 PolarHBondContact O-N 3.2Å; N403-A407 VanDerWaalsContact O-N 3.09Å
404	H	88.7	Confident	88.5	Confident	36 Å²	36	50.6 Å²	50.6	17%	0.167	26%	0.258	C	S	.	.	H	α-helix	trans	-68.8	-38.1	-175.4	-60.8	-48.2	0	0	0	113	Y399 G402 A407 V408 F427 R432	Y399-H404 AromaticContact CD2-ND1 3.62Å; Y399-H404 AromaticContact CE2-ND1 3.75Å; Y399-H404 PolarHBondContact O-CE1 2.85Å; G402-H404 VanDerWaalsContact C-N 3.34Å; G402-H404 PolarHBondContact O-CD2 2.96Å; G402-H404 PolarHBondContact O-N 3.17Å; G402-H404 VanDerWaalsContact O-N 3.11Å; H404-A407 WeakPolarHBondContact O-CB 3.31Å; H404-A407 PolarHBondContact O-N 2.75Å; H404-V408 WeakPolarHBondContact O-CG2 3.16Å; H404-V408 PolarHBondContact O-N 3.14Å; H404-F427 HydrophobicContact CB-CE1 4.2Å; H404-R432 VanDerWaalsContact CE1-CZ 3.45Å; H404-R432 PolarHBondContact CE1-NH1 3.3Å; H404-R432 PolarHBondContact CE1-NH2 3.11Å; H404-R432 PolarHBondContact ND1-NH1 3.09Å; H404-R432 VanDerWaalsContact NE2-CZ 3.27Å; H404-R432 PolarHBondContact NE2-NH1 2.93Å; H404-R432 PolarHBondContact NE2-NH2 3.24Å
405	D	87.3	Confident	88.3	Confident	99 Å²	99	49.8 Å²	49.8	53%	0.529	26%	0.256	S	S	.	.	H	α-helix	trans	-66.8	-43.9	-179	-56.7	-13.4	0	0	0	110.9	A407 V408 Q409 N435	D405-A407 VanDerWaalsContact C-N 3.34Å; D405-A407 PolarHBondContact O-N 3.35Å; D405-V408 PolarHBondContact O-N 2.96Å; D405-Q409 WeakPolarHBondContact O-CG 3.36Å; D405-Q409 PolarHBondContact O-N 3.19Å; D405-N435 PolarHBondContact OD1-ND2 3.32Å; D405-N435 PolarHBondContact OD1-OD1 3.37Å; D405-N435 VanDerWaalsContact OD1-OD1 3.09Å
406	G	87.4	Confident	87.8	Confident	11 Å²	11	52.3 Å²	52.3	11%	0.113	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-38.7	173.6	0	0	0	0	0	112.4	N403 Q409 Q410	N403-G406 PolarHBondContact OD1-N 3.42Å; G406-Q409 PolarHBondContact O-N 3.44Å; G406-Q410 WeakPolarHBondContact O-CG 3.36Å; G406-Q410 PolarHBondContact O-N 2.8Å
407	A	91.6	Very high	87.5	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-45.9	177.7	0	0	0	0	0	112.1	G395 L398 N403 H404 D405 Q409 Q410 Y411 F427	G395-A407 WeakPolarHBondContact O-CB 3.2Å; L398-A407 HydrophobicContact CB-CB 3.89Å; N403-A407 WeakPolarHBondContact O-CB 3.44Å; N403-A407 PolarHBondContact O-N 3.2Å; N403-A407 VanDerWaalsContact O-N 3.09Å; H404-A407 WeakPolarHBondContact O-CB 3.31Å; H404-A407 PolarHBondContact O-N 2.75Å; D405-A407 VanDerWaalsContact C-N 3.34Å; D405-A407 PolarHBondContact O-N 3.35Å; A407-Q409 VanDerWaalsContact C-N 3.31Å; A407-Q409 PolarHBondContact O-N 3.35Å; A407-Q410 PolarHBondContact O-N 3.13Å; A407-Q410 VanDerWaalsContact O-N 3.1Å; A407-Y411 HydrophobicContact CB-CE2 4.11Å; A407-Y411 WeakPolarHBondContact O-CD2 3.23Å; A407-Y411 PolarHBondContact O-N 3.41Å; A407-F427 HydrophobicContact CB-CZ 4.43Å
408	V	90.3	Very high	87.2	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.024	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-43.5	177.1	171.7	0	0	0	0	111.4	H404 D405 Q410 Y411 I412 F427 N435	H404-V408 WeakPolarHBondContact O-CG2 3.16Å; H404-V408 PolarHBondContact O-N 3.14Å; D405-V408 PolarHBondContact O-N 2.96Å; V408-Q410 PolarHBondContact O-N 3.04Å; V408-Y411 PolarHBondContact O-N 3.24Å; V408-Y411 VanDerWaalsContact O-N 3.1Å; V408-I412 HydrophobicContact CG1-CD1 3.79Å; V408-I412 HydrophobicContact CG1-CG1 4.12Å; V408-I412 VanDerWaalsContact O-CG1 3.28Å; V408-I412 WeakPolarHBondContact O-CG1 3.48Å; V408-I412 PolarHBondContact O-N 3.3Å; V408-F427 HydrophobicContact CG2-CD1 4.01Å; V408-F427 HydrophobicContact CG2-CD2 4.31Å; V408-F427 HydrophobicContact CG2-CE1 3.41Å; V408-F427 VanDerWaalsContact CG2-CE1 3.41Å; V408-F427 HydrophobicContact CG2-CE2 3.79Å; V408-F427 HydrophobicContact CG2-CG 4.42Å; V408-F427 HydrophobicContact CG2-CZ 3.29Å; V408-N435 HydrophobicContact CG2-CB 3.73Å
409	Q	89.9	Confident	87.1	Confident	120 Å²	120	60.9 Å²	60.9	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-59.2	-33.9	177.9	-70.1	178.5	7.1	0	0	112.8	D405 G406 A407	D405-Q409 WeakPolarHBondContact O-CG 3.36Å; D405-Q409 PolarHBondContact O-N 3.19Å; G406-Q409 PolarHBondContact O-N 3.44Å; A407-Q409 VanDerWaalsContact C-N 3.31Å; A407-Q409 PolarHBondContact O-N 3.35Å
410	Q	89.1	Confident	87	Confident	17 Å²	17	59.3 Å²	59.3	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-73.5	-42.5	174	-55.5	-47.8	-46.4	0	0	111.6	F391 Y394 L398 G406 A407 V408 I412 R413	F391-Q410 VanDerWaalsContact CD1-OE1 3.29Å; Y394-Q410 HydrophobicContact CD1-CB 4.46Å; Y394-Q410 VanDerWaalsContact CD1-CD 3.49Å; Y394-Q410 HydrophobicContact CD1-CG 3.48Å; Y394-Q410 VanDerWaalsContact CD1-CG 3.48Å; Y394-Q410 HydrophobicContact CE1-CG 3.8Å; Y394-Q410 HydrophobicContact CG-CG 4.18Å; L398-Q410 HydrophobicContact CD1-CG 3.95Å; G406-Q410 WeakPolarHBondContact O-CG 3.36Å; G406-Q410 PolarHBondContact O-N 2.8Å; A407-Q410 PolarHBondContact O-N 3.13Å; A407-Q410 VanDerWaalsContact O-N 3.1Å; V408-Q410 PolarHBondContact O-N 3.04Å; Q410-I412 VanDerWaalsContact C-N 3.27Å; Q410-I412 PolarHBondContact O-N 3.25Å; Q410-R413 WeakPolarHBondContact O-CB 3.49Å; Q410-R413 PolarHBondContact O-N 2.92Å
411	Y	90.4	Very high	86.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-34.3	175.6	-65.2	-53	0	0	0	112.7	D396 A407 V408 R413 T414 L418 Y422 V423 F427	D396-Y411 WeakPolarHBondContact CA-OH 3.38Å; D396-Y411 PolarHBondContact N-OH 2.79Å; D396-Y411 PolarHBondContact OD1-OH 3.1Å; A407-Y411 HydrophobicContact CB-CE2 4.11Å; A407-Y411 WeakPolarHBondContact O-CD2 3.23Å; A407-Y411 PolarHBondContact O-N 3.41Å; V408-Y411 PolarHBondContact O-N 3.24Å; V408-Y411 VanDerWaalsContact O-N 3.1Å; Y411-R413 PolarHBondContact O-N 3.37Å; Y411-T414 PolarHBondContact O-N 3.17Å; Y411-T414 PolarHBondContact O-OG1 2.88Å; Y411-L418 HydrophobicContact CD1-CD2 4.38Å; Y411-Y422 HydrophobicContact CE1-CE1 4.25Å; Y411-V423 HydrophobicContact CD1-CG2 4.01Å; Y411-V423 HydrophobicContact CD2-CG1 4.03Å; Y411-V423 HydrophobicContact CG-CG1 4.1Å; Y411-V423 HydrophobicContact CG-CG2 3.94Å; Y411-F427 AromaticContact CD2-CE2 3.69Å; Y411-F427 HydrophobicContact CD2-CE2 3.69Å; Y411-F427 HydrophobicContact CD2-CZ 4.15Å; Y411-F427 AromaticContact CE2-CE2 3.64Å; Y411-F427 HydrophobicContact CE2-CE2 3.64Å; Y411-F427 AromaticContact CE2-CZ 3.97Å; Y411-F427 HydrophobicContact CE2-CZ 3.97Å
412	I	89.3	Confident	86.9	Confident	40 Å²	40	53.6 Å²	53.6	21%	0.205	29%	0.285	C	S	.	.	H	α-helix	trans	-58.2	-34.4	174	-70.3	170.2	0	0	0	111.2	V408 Q410 T414 I415 Y439 T442	V408-I412 HydrophobicContact CG1-CD1 3.79Å; V408-I412 HydrophobicContact CG1-CG1 4.12Å; V408-I412 VanDerWaalsContact O-CG1 3.28Å; V408-I412 WeakPolarHBondContact O-CG1 3.48Å; V408-I412 PolarHBondContact O-N 3.3Å; Q410-I412 VanDerWaalsContact C-N 3.27Å; Q410-I412 PolarHBondContact O-N 3.25Å; I412-T414 PolarHBondContact O-N 2.94Å; I412-I415 HydrophobicContact CB-CD1 4.38Å; I412-I415 HydrophobicContact CG2-CD1 4.13Å; I412-I415 WeakPolarHBondContact O-CD1 3.2Å; I412-I415 VanDerWaalsContact O-CG1 3.23Å; I412-I415 WeakPolarHBondContact O-CG1 3.39Å; I412-I415 PolarHBondContact O-N 2.62Å; I412-Y439 HydrophobicContact CG1-CD2 3.98Å; I412-T442 HydrophobicContact CD1-CG2 4.13Å; I412-T442 HydrophobicContact CG1-CG2 4.49Å; I412-T442 WeakPolarHBondContact CG1-OG1 3.38Å; I412-T442 HydrophobicContact CG2-CG2 3.96Å
413	R	85.6	Confident	87	Confident	152 Å²	152	51.6 Å²	51.6	57%	0.574	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.6	176.9	-63.3	177.9	177.5	-174	-1.3	113.6	F391 Q410 Y411	F391-R413 HydrophobicContact CD1-CB 4.38Å; F391-R413 HydrophobicContact CD2-CB 4.18Å; F391-R413 HydrophobicContact CE2-CB 4.36Å; F391-R413 HydrophobicContact CG-CB 4.21Å; Q410-R413 WeakPolarHBondContact O-CB 3.49Å; Q410-R413 PolarHBondContact O-N 2.92Å; Y411-R413 PolarHBondContact O-N 3.37Å
414	T	87.1	Confident	86.9	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-0.8	177.3	66.6	0	0	0	0	113.6	A388 F391 Y411 I412 G416 K417 L418	A388-T414 WeakPolarHBondContact O-CG2 3.44Å; F391-T414 HydrophobicContact CB-CG2 3.42Å; F391-T414 VanDerWaalsContact CB-CG2 3.42Å; Y411-T414 PolarHBondContact O-N 3.17Å; Y411-T414 PolarHBondContact O-OG1 2.88Å; I412-T414 PolarHBondContact O-N 2.94Å; T414-G416 PolarHBondContact O-N 2.9Å; T414-K417 PolarHBondContact O-N 3.35Å; T414-L418 PolarHBondContact O-N 2.89Å; T414-L418 WeakPolarHBondContact OG1-CD2 3.18Å
415	I	84	Confident	86.8	Confident	20 Å²	20	56.6 Å²	56.6	10%	0.103	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	135	-179.1	-64.2	171.4	0	0	0	110.1	I412 Y439 T442 L443 L448	I412-I415 HydrophobicContact CB-CD1 4.38Å; I412-I415 HydrophobicContact CG2-CD1 4.13Å; I412-I415 WeakPolarHBondContact O-CD1 3.2Å; I412-I415 VanDerWaalsContact O-CG1 3.23Å; I412-I415 WeakPolarHBondContact O-CG1 3.39Å; I412-I415 PolarHBondContact O-N 2.62Å; I415-Y439 HydrophobicContact CD1-CD2 4.43Å; I415-Y439 HydrophobicContact CD1-CE2 4.11Å; I415-Y439 HydrophobicContact CG1-CE2 3.82Å; I415-T442 WeakPolarHBondContact CD1-OG1 3.28Å; I415-L443 HydrophobicContact CD1-CB 4.47Å; I415-L443 HydrophobicContact CG2-CD1 3.56Å; I415-L448 HydrophobicContact CG2-CD1 3.76Å
416	G	78.9	Confident	86.7	Confident	52 Å²	52	54.2 Å²	54.2	54%	0.536	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-14.3	-177.6	0	0	0	0	0	114.5	T414	T414-G416 PolarHBondContact O-N 2.9Å
417	K	82.4	Confident	86.7	Confident	117 Å²	117	53.7 Å²	53.7	51%	0.509	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-39.3	177	-60.6	-59.1	-169.7	156.3	0	112.9	S384 D385 A388 T414	S384-K417 WeakPolarHBondContact OG-CE 3.44Å; D385-K417 WeakPolarHBondContact OD1-CD 3.47Å; D385-K417 WeakPolarHBondContact OD1-CE 3.28Å; D385-K417 IonicContact OD1-NZ 3.13Å; D385-K417 PolarHBondContact OD1-NZ 3.05Å; A388-K417 HydrophobicContact CB-CB 3.83Å; A388-K417 HydrophobicContact CB-CG 4.26Å; T414-K417 PolarHBondContact O-N 3.35Å
418	L	84	Confident	86.3	Confident	35 Å²	35	58.6 Å²	58.6	18%	0.183	28%	0.281	C	S	.	.	S	Bend	trans	-91.2	137.2	176	-173	68.6	0	0	0	110.7	M392 Y411 T414 P420 Y422 V423	M392-L418 HydrophobicContact CB-CD2 4.48Å; M392-L418 HydrophobicContact CG-CD1 4.35Å; M392-L418 HydrophobicContact CG-CD2 4.12Å; M392-L418 HydrophobicContact SD-CD1 3.77Å; Y411-L418 HydrophobicContact CD1-CD2 4.38Å; T414-L418 PolarHBondContact O-N 2.89Å; T414-L418 WeakPolarHBondContact OG1-CD2 3.18Å; L418-P420 WeakPolarHBondContact O-CD 3.4Å; L418-Y422 HydrophobicContact CD2-CD1 3.96Å; L418-V423 HydrophobicContact CD2-CG2 3.96Å
419	E	84.6	Confident	85.8	Confident	136 Å²	136	62 Å²	62	64%	0.636	30%	0.3	S	S	*	.			trans	-59.7	119.9	174.3	-80.6	-66.4	156.7	0	0	111.7	S421 Y422	E419-S421 PolarHBondContact O-N 3.2Å; E419-S421 VanDerWaalsContact O-N 3.1Å; E419-Y422 WeakPolarHBondContact O-CB 3.34Å; E419-Y422 PolarHBondContact O-N 2.93Å
420	P	85.8	Confident	84.7	Confident	20 Å²	20	60 Å²	60	13%	0.13	30%	0.303	C	S	.	.	H	α-helix	trans	-56.6	-31	-178.7	-27.3	35.3	0	0	0	113.8	L418 Y422 V423 I424 Y439 L443	L418-P420 WeakPolarHBondContact O-CD 3.4Å; P420-Y422 PolarHBondContact O-N 2.84Å; P420-V423 PolarHBondContact O-N 3.35Å; P420-V423 VanDerWaalsContact O-N 3.11Å; P420-I424 HydrophobicContact CB-CD1 4.18Å; P420-I424 VanDerWaalsContact O-CG1 3.27Å; P420-I424 WeakPolarHBondContact O-CG1 3.42Å; P420-I424 PolarHBondContact O-N 3.27Å; P420-Y439 HydrophobicContact CB-CE1 4.26Å; P420-L443 HydrophobicContact CB-CD2 3.97Å; P420-L443 HydrophobicContact CG-CD1 4.09Å; P420-L443 HydrophobicContact CG-CD2 4.06Å
421	S	87	Confident	84.1	Confident	64 Å²	64	67.2 Å²	67.2	45%	0.448	34%	0.337	S	S	.	.	H	α-helix	trans	-54.9	-34.2	176.5	-62.4	0	0	0	0	113.3	E419 R425	E419-S421 PolarHBondContact O-N 3.2Å; E419-S421 VanDerWaalsContact O-N 3.1Å; S421-R425 WeakPolarHBondContact O-CB 3.49Å; S421-R425 VanDerWaalsContact O-CG 3.28Å; S421-R425 WeakPolarHBondContact O-CG 3.29Å; S421-R425 PolarHBondContact O-N 3.18Å; S421-R425 VanDerWaalsContact O-N 3.09Å
422	Y	87.8	Confident	83.7	Confident	81 Å²	81	69.7 Å²	69.7	32%	0.318	35%	0.346	S	S	.	.	H	α-helix	trans	-63	-46.8	177.2	179.3	-101.1	0	0	0	111.5	M392 D396 Y411 L418 E419 P420 K426	M392-Y422 HydrophobicContact CG-CE1 4.21Å; D396-Y422 VanDerWaalsContact CG-OH 3.27Å; D396-Y422 PolarHBondContact OD1-OH 3.35Å; D396-Y422 PolarHBondContact OD2-OH 2.64Å; Y411-Y422 HydrophobicContact CE1-CE1 4.25Å; L418-Y422 HydrophobicContact CD2-CD1 3.96Å; E419-Y422 WeakPolarHBondContact O-CB 3.34Å; E419-Y422 PolarHBondContact O-N 2.93Å; P420-Y422 PolarHBondContact O-N 2.84Å; Y422-K426 HydrophobicContact CE1-CD 4.4Å; Y422-K426 VanDerWaalsContact CZ-CE 3.42Å; Y422-K426 WeakPolarHBondContact OH-CE 3.39Å; Y422-K426 PolarHBondContact OH-NZ 3.4Å
423	V	87.1	Confident	83.5	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-72.5	-45.9	-178.5	-175.8	0	0	0	0	110.1	Y411 L418 P420 R425 K426 F427 Y439	Y411-V423 HydrophobicContact CD1-CG2 4.01Å; Y411-V423 HydrophobicContact CD2-CG1 4.03Å; Y411-V423 HydrophobicContact CG-CG1 4.1Å; Y411-V423 HydrophobicContact CG-CG2 3.94Å; L418-V423 HydrophobicContact CD2-CG2 3.96Å; P420-V423 PolarHBondContact O-N 3.35Å; P420-V423 VanDerWaalsContact O-N 3.11Å; V423-R425 VanDerWaalsContact C-N 3.3Å; V423-R425 PolarHBondContact O-N 3.2Å; V423-K426 WeakPolarHBondContact O-CB 3.37Å; V423-K426 PolarHBondContact O-N 2.83Å; V423-F427 HydrophobicContact CG1-CD2 3.78Å; V423-F427 HydrophobicContact CG1-CE2 3.92Å; V423-F427 WeakPolarHBondContact O-CD2 3.27Å; V423-F427 PolarHBondContact O-N 2.66Å; V423-Y439 HydrophobicContact CB-CD1 4.36Å; V423-Y439 HydrophobicContact CB-CE1 3.88Å; V423-Y439 HydrophobicContact CB-CE2 4.17Å; V423-Y439 HydrophobicContact CG1-CD1 3.99Å; V423-Y439 HydrophobicContact CG1-CD2 3.9Å; V423-Y439 HydrophobicContact CG1-CE1 3.99Å; V423-Y439 HydrophobicContact CG1-CE2 3.9Å; V423-Y439 HydrophobicContact CG1-CG 3.95Å; V423-Y439 HydrophobicContact CG2-CE1 4.46Å; V423-Y439 HydrophobicContact CG2-CE2 4.08Å
424	I	87.3	Confident	83.5	Confident	14 Å²	14	68.1 Å²	68.1	7%	0.072	35%	0.345	C	S	.	.	H	α-helix	trans	-56.5	-45.3	180	-66.1	165.4	0	0	0	110.5	P420 K426 F427 L428 L436 L440 H453 L456	P420-I424 HydrophobicContact CB-CD1 4.18Å; P420-I424 VanDerWaalsContact O-CG1 3.27Å; P420-I424 WeakPolarHBondContact O-CG1 3.42Å; P420-I424 PolarHBondContact O-N 3.27Å; I424-K426 PolarHBondContact O-N 2.78Å; I424-F427 PolarHBondContact O-N 2.94Å; I424-F427 VanDerWaalsContact O-N 3.08Å; I424-L428 HydrophobicContact CG2-CD1 4.34Å; I424-L428 HydrophobicContact CG2-CD2 4.46Å; I424-L428 HydrophobicContact CG2-CG 4.12Å; I424-L428 WeakPolarHBondContact O-CG 3.47Å; I424-L428 PolarHBondContact O-N 3.15Å; I424-L428 VanDerWaalsContact O-N 3.08Å; I424-L436 HydrophobicContact CB-CD1 4.32Å; I424-L436 HydrophobicContact CG1-CD1 4.05Å; I424-L436 HydrophobicContact CG2-CD1 4.25Å; I424-L440 HydrophobicContact CD1-CD2 4.01Å; I424-L440 HydrophobicContact CG1-CD2 4.24Å; I424-H453 VanDerWaalsContact CD1-CE1 3.48Å; I424-H453 WeakPolarHBondContact CD1-CE1 3.2Å; I424-H453 WeakPolarHBondContact CD1-ND1 3.46Å; I424-L456 HydrophobicContact CG2-CD2 3.66Å
425	R	86.9	Confident	83.5	Confident	205 Å²	205	69.2 Å²	69.2	77%	0.774	35%	0.351	S	S	*	.	H	α-helix	trans	-57.4	-32	177	-79.9	-179.9	59.5	172.5	-2.3	113.9	S421 V423	S421-R425 WeakPolarHBondContact O-CB 3.49Å; S421-R425 VanDerWaalsContact O-CG 3.28Å; S421-R425 WeakPolarHBondContact O-CG 3.29Å; S421-R425 PolarHBondContact O-N 3.18Å; S421-R425 VanDerWaalsContact O-N 3.09Å; V423-R425 VanDerWaalsContact C-N 3.3Å; V423-R425 PolarHBondContact O-N 3.2Å
426	K	85.4	Confident	83.7	Confident	50 Å²	50	68.5 Å²	68.5	22%	0.217	35%	0.347	C	S	.	.	H	α-helix	trans	-77.1	-30.8	177.7	-67.3	-167.8	179.4	-159.3	0	112.9	D396 Y399 Y422 V423 I424	D396-K426 IonicContact OD1-NZ 3.29Å; D396-K426 PolarHBondContact OD1-NZ 3.46Å; D396-K426 IonicContact OD2-NZ 3.91Å; Y399-K426 HydrophobicContact CE2-CB 3.99Å; Y399-K426 PolarHBondContact OH-O 3.31Å; Y422-K426 HydrophobicContact CE1-CD 4.4Å; Y422-K426 VanDerWaalsContact CZ-CE 3.42Å; Y422-K426 WeakPolarHBondContact OH-CE 3.39Å; Y422-K426 PolarHBondContact OH-NZ 3.4Å; V423-K426 WeakPolarHBondContact O-CB 3.37Å; V423-K426 PolarHBondContact O-N 2.83Å; I424-K426 PolarHBondContact O-N 2.78Å
427	F	86.1	Confident	84.1	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-108.4	11.7	-173.3	-65.5	-82.3	0	0	0	114.9	Y399 H404 A407 V408 Y411 V423 I424 D429 R432 N435 L436	Y399-F427 AromaticContact CD2-CE1 3.92Å; Y399-F427 HydrophobicContact CD2-CE1 3.92Å; Y399-F427 HydrophobicContact CD2-CE2 4.22Å; Y399-F427 AromaticContact CD2-CZ 3.58Å; Y399-F427 HydrophobicContact CD2-CZ 3.58Å; Y399-F427 HydrophobicContact CE2-CD1 4.25Å; Y399-F427 AromaticContact CE2-CE1 3.76Å; Y399-F427 HydrophobicContact CE2-CE1 3.76Å; Y399-F427 HydrophobicContact CE2-CE2 4.25Å; Y399-F427 AromaticContact CE2-CZ 3.76Å; Y399-F427 HydrophobicContact CE2-CZ 3.76Å; H404-F427 HydrophobicContact CB-CE1 4.2Å; A407-F427 HydrophobicContact CB-CZ 4.43Å; V408-F427 HydrophobicContact CG2-CD1 4.01Å; V408-F427 HydrophobicContact CG2-CD2 4.31Å; V408-F427 HydrophobicContact CG2-CE1 3.41Å; V408-F427 VanDerWaalsContact CG2-CE1 3.41Å; V408-F427 HydrophobicContact CG2-CE2 3.79Å; V408-F427 HydrophobicContact CG2-CG 4.42Å; V408-F427 HydrophobicContact CG2-CZ 3.29Å; Y411-F427 AromaticContact CD2-CE2 3.69Å; Y411-F427 HydrophobicContact CD2-CE2 3.69Å; Y411-F427 HydrophobicContact CD2-CZ 4.15Å; Y411-F427 AromaticContact CE2-CE2 3.64Å; Y411-F427 HydrophobicContact CE2-CE2 3.64Å; Y411-F427 AromaticContact CE2-CZ 3.97Å; Y411-F427 HydrophobicContact CE2-CZ 3.97Å; V423-F427 HydrophobicContact CG1-CD2 3.78Å; V423-F427 HydrophobicContact CG1-CE2 3.92Å; V423-F427 WeakPolarHBondContact O-CD2 3.27Å; V423-F427 PolarHBondContact O-N 2.66Å; I424-F427 PolarHBondContact O-N 2.94Å; I424-F427 VanDerWaalsContact O-N 3.08Å; F427-D429 PolarHBondContact O-N 2.94Å; F427-R432 HydrophobicContact CD1-CB 4.43Å; F427-N435 HydrophobicContact CD1-CB 3.91Å; F427-N435 HydrophobicContact CE1-CB 4.22Å; F427-L436 HydrophobicContact CB-CB 4Å; F427-L436 HydrophobicContact CB-CD1 4.25Å
428	L	83.9	Confident	84.3	Confident	102 Å²	102	62.3 Å²	62.3	53%	0.534	31%	0.312	S	S	.	.			trans	-65.8	-12.1	177.4	-90.9	164.9	0	0	0	115.1	I424	I424-L428 HydrophobicContact CG2-CD1 4.34Å; I424-L428 HydrophobicContact CG2-CD2 4.46Å; I424-L428 HydrophobicContact CG2-CG 4.12Å; I424-L428 WeakPolarHBondContact O-CG 3.47Å; I424-L428 PolarHBondContact O-N 3.15Å; I424-L428 VanDerWaalsContact O-N 3.08Å
429	D	78.6	Confident	84.5	Confident	77 Å²	77	60.7 Å²	60.7	41%	0.412	30%	0.304	S	S	.	.	S	Bend	trans	-61.5	134.9	177.8	-170.5	-14.1	0	0	0	111.5	F427 Q431 R432	F427-D429 PolarHBondContact O-N 2.94Å; D429-Q431 PolarHBondContact O-N 3.16Å; D429-Q431 VanDerWaalsContact O-N 3.15Å; D429-Q431 PolarHBondContact OD1-N 3.1Å; D429-R432 HydrophobicContact CB-CG 4.39Å; D429-R432 PolarHBondContact O-N 2.9Å
430	A	66.8	Low	84.6	Confident	77 Å²	77	54.3 Å²	54.3	64%	0.636	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-59	-26.5	-179.2	0	0	0	0	0	113.1	R432 I433	A430-R432 PolarHBondContact O-N 3.14Å; A430-I433 HydrophobicContact CB-CD1 4.42Å; A430-I433 VanDerWaalsContact O-CD1 3.3Å; A430-I433 WeakPolarHBondContact O-CD1 3.48Å; A430-I433 WeakPolarHBondContact O-CG1 3.48Å
431	Q	77.8	Confident	84.6	Confident	168 Å²	168	55 Å²	55	79%	0.785	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-72.6	-14	175.3	-62.6	-174	0.9	0	0	113.3	D429	D429-Q431 PolarHBondContact O-N 3.16Å; D429-Q431 VanDerWaalsContact O-N 3.15Å; D429-Q431 PolarHBondContact OD1-N 3.1Å
432	R	82.4	Confident	84.5	Confident	52 Å²	52	53.1 Å²	53.1	20%	0.196	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-120.2	17.6	-169.4	-56.5	178.4	-171.7	-165.5	-5.8	113	Y399 H404 F427 D429 A430 H434 N435 L436	Y399-R432 PolarHBondContact OH-NH1 3.08Å; H404-R432 VanDerWaalsContact CE1-CZ 3.45Å; H404-R432 PolarHBondContact CE1-NH1 3.3Å; H404-R432 PolarHBondContact CE1-NH2 3.11Å; H404-R432 PolarHBondContact ND1-NH1 3.09Å; H404-R432 VanDerWaalsContact NE2-CZ 3.27Å; H404-R432 PolarHBondContact NE2-NH1 2.93Å; H404-R432 PolarHBondContact NE2-NH2 3.24Å; F427-R432 HydrophobicContact CD1-CB 4.43Å; D429-R432 HydrophobicContact CB-CG 4.39Å; D429-R432 PolarHBondContact O-N 2.9Å; A430-R432 PolarHBondContact O-N 3.14Å; R432-H434 PolarHBondContact O-N 3.36Å; R432-H434 VanDerWaalsContact O-N 3.17Å; R432-N435 WeakPolarHBondContact O-CB 3.31Å; R432-N435 PolarHBondContact O-N 3.19Å; R432-L436 PolarHBondContact O-N 2.98Å; R432-L436 VanDerWaalsContact O-N 3.13Å
433	I	83.8	Confident	84.4	Confident	27 Å²	27	49.4 Å²	49.4	14%	0.138	25%	0.247	C	C	.	.	H	α-helix	trans	-56.6	-35.7	-178.3	-62.3	168	0	0	0	111.2	A430 N435 L436 T437 C460 K463 L464	A430-I433 HydrophobicContact CB-CD1 4.42Å; A430-I433 VanDerWaalsContact O-CD1 3.3Å; A430-I433 WeakPolarHBondContact O-CD1 3.48Å; A430-I433 WeakPolarHBondContact O-CG1 3.48Å; I433-N435 VanDerWaalsContact C-N 3.34Å; I433-N435 PolarHBondContact O-N 3.34Å; I433-L436 PolarHBondContact O-N 2.89Å; I433-T437 VanDerWaalsContact O-CB 3.27Å; I433-T437 WeakPolarHBondContact O-CB 3.43Å; I433-T437 PolarHBondContact O-N 2.89Å; I433-T437 PolarHBondContact O-OG1 3.35Å; I433-C460 HydrophobicContact CG2-CB 3.87Å; I433-K463 HydrophobicContact CD1-CD 4.46Å; I433-L464 HydrophobicContact CB-CD2 4.25Å; I433-L464 HydrophobicContact CG2-CD1 3.88Å; I433-L464 HydrophobicContact CG2-CD2 3.94Å; I433-L464 HydrophobicContact CG2-CG 3.75Å
434	H	85.4	Confident	84	Confident	133 Å²	133	51.1 Å²	51.1	62%	0.616	26%	0.255	S	S	*	.	H	α-helix	trans	-60.1	-41.7	176.4	-64.1	-67.4	0	0	0	113.1	R432 T437 A438 L464	R432-H434 PolarHBondContact O-N 3.36Å; R432-H434 VanDerWaalsContact O-N 3.17Å; H434-T437 PolarHBondContact O-N 3.19Å; H434-A438 PolarHBondContact O-N 2.91Å; H434-L464 VanDerWaalsContact CE1-CD2 3.48Å; H434-L464 WeakPolarHBondContact CE1-CD2 3.38Å
435	N	87.4	Confident	83.7	Confident	23 Å²	23	59.1 Å²	59.1	12%	0.123	28%	0.284	C	S	.	.	H	α-helix	trans	-69.9	-42.6	179.8	-86.6	-28.2	0	0	0	111.8	D405 V408 F427 R432 I433 T437 A438 Y439	D405-N435 PolarHBondContact OD1-ND2 3.32Å; D405-N435 PolarHBondContact OD1-OD1 3.37Å; D405-N435 VanDerWaalsContact OD1-OD1 3.09Å; V408-N435 HydrophobicContact CG2-CB 3.73Å; F427-N435 HydrophobicContact CD1-CB 3.91Å; F427-N435 HydrophobicContact CE1-CB 4.22Å; R432-N435 WeakPolarHBondContact O-CB 3.31Å; R432-N435 PolarHBondContact O-N 3.19Å; I433-N435 VanDerWaalsContact C-N 3.34Å; I433-N435 PolarHBondContact O-N 3.34Å; N435-T437 VanDerWaalsContact C-N 3.35Å; N435-A438 PolarHBondContact O-N 3.48Å; N435-Y439 PolarHBondContact O-N 3.41Å
436	L	88.9	Confident	83.4	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-42	171.9	-178.2	60	0	0	0	111.8	I424 F427 R432 I433 A438 Y439 L440 L456	I424-L436 HydrophobicContact CB-CD1 4.32Å; I424-L436 HydrophobicContact CG1-CD1 4.05Å; I424-L436 HydrophobicContact CG2-CD1 4.25Å; F427-L436 HydrophobicContact CB-CB 4Å; F427-L436 HydrophobicContact CB-CD1 4.25Å; R432-L436 PolarHBondContact O-N 2.98Å; R432-L436 VanDerWaalsContact O-N 3.13Å; I433-L436 PolarHBondContact O-N 2.89Å; L436-A438 PolarHBondContact O-N 3.07Å; L436-Y439 PolarHBondContact O-N 3.39Å; L436-L440 HydrophobicContact CD1-CD1 4.07Å; L436-L440 HydrophobicContact CD1-CG 4.15Å; L436-L440 HydrophobicContact CG-CD1 3.89Å; L436-L440 HydrophobicContact CG-CG 4.37Å; L436-L440 WeakPolarHBondContact O-CB 3.4Å; L436-L440 WeakPolarHBondContact O-CG 3.38Å; L436-L440 PolarHBondContact O-N 3.13Å; L436-L456 HydrophobicContact CD2-CD2 4.31Å
437	T	86.5	Confident	82.9	Confident	8 Å²	8	56.6 Å²	56.6	5%	0.049	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-45.6	179.1	-57.4	0	0	0	0	110.7	I433 H434 N435 Y439 L440 Q441 L457 C460 Y461	I433-T437 VanDerWaalsContact O-CB 3.27Å; I433-T437 WeakPolarHBondContact O-CB 3.43Å; I433-T437 PolarHBondContact O-N 2.89Å; I433-T437 PolarHBondContact O-OG1 3.35Å; H434-T437 PolarHBondContact O-N 3.19Å; N435-T437 VanDerWaalsContact C-N 3.35Å; T437-Y439 VanDerWaalsContact C-N 3.34Å; T437-Y439 PolarHBondContact O-N 3.23Å; T437-L440 PolarHBondContact O-N 2.91Å; T437-Q441 HydrophobicContact CG2-CG 4.22Å; T437-Q441 VanDerWaalsContact O-CB 3.31Å; T437-Q441 WeakPolarHBondContact O-CB 3.38Å; T437-Q441 WeakPolarHBondContact O-CG 3.49Å; T437-Q441 PolarHBondContact O-N 3.48Å; T437-L457 HydrophobicContact CG2-CD1 3.89Å; T437-C460 WeakPolarHBondContact OG1-CB 3.32Å; T437-Y461 HydrophobicContact CG2-CD1 4.38Å; T437-Y461 HydrophobicContact CG2-CE1 3.86Å
438	A	86.6	Confident	82.5	Confident	32 Å²	32	60.9 Å²	60.9	26%	0.264	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-43.8	177.7	0	0	0	0	0	112.2	H434 N435 L436 T442	H434-A438 PolarHBondContact O-N 2.91Å; N435-A438 PolarHBondContact O-N 3.48Å; L436-A438 PolarHBondContact O-N 3.07Å; A438-T442 PolarHBondContact O-N 3.5Å; A438-T442 VanDerWaalsContact O-N 3.13Å; A438-T442 PolarHBondContact O-OG1 3.12Å; A438-T442 VanDerWaalsContact O-OG1 3.14Å
439	Y	88.9	Confident	82.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-50.9	176.4	-178.8	-100.8	0	0	0	112.1	I412 I415 P420 V423 N435 L436 T437 Q441 T442 L443	I412-Y439 HydrophobicContact CG1-CD2 3.98Å; I415-Y439 HydrophobicContact CD1-CD2 4.43Å; I415-Y439 HydrophobicContact CD1-CE2 4.11Å; I415-Y439 HydrophobicContact CG1-CE2 3.82Å; P420-Y439 HydrophobicContact CB-CE1 4.26Å; V423-Y439 HydrophobicContact CB-CD1 4.36Å; V423-Y439 HydrophobicContact CB-CE1 3.88Å; V423-Y439 HydrophobicContact CB-CE2 4.17Å; V423-Y439 HydrophobicContact CG1-CD1 3.99Å; V423-Y439 HydrophobicContact CG1-CD2 3.9Å; V423-Y439 HydrophobicContact CG1-CE1 3.99Å; V423-Y439 HydrophobicContact CG1-CE2 3.9Å; V423-Y439 HydrophobicContact CG1-CG 3.95Å; V423-Y439 HydrophobicContact CG2-CE1 4.46Å; V423-Y439 HydrophobicContact CG2-CE2 4.08Å; N435-Y439 PolarHBondContact O-N 3.41Å; L436-Y439 PolarHBondContact O-N 3.39Å; T437-Y439 VanDerWaalsContact C-N 3.34Å; T437-Y439 PolarHBondContact O-N 3.23Å; Y439-Q441 VanDerWaalsContact C-N 3.33Å; Y439-Q441 PolarHBondContact O-N 2.97Å; Y439-T442 PolarHBondContact O-N 3.09Å; Y439-T442 PolarHBondContact O-OG1 2.96Å; Y439-L443 WeakPolarHBondContact O-CB 3.35Å; Y439-L443 PolarHBondContact O-N 3.15Å
440	L	87.3	Confident	82.2	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-36.6	179.6	-70.1	174.9	0	0	0	112.5	I424 L436 T437 L443 H444 H453 L456 L457	I424-L440 HydrophobicContact CD1-CD2 4.01Å; I424-L440 HydrophobicContact CG1-CD2 4.24Å; L436-L440 HydrophobicContact CD1-CD1 4.07Å; L436-L440 HydrophobicContact CD1-CG 4.15Å; L436-L440 HydrophobicContact CG-CD1 3.89Å; L436-L440 HydrophobicContact CG-CG 4.37Å; L436-L440 WeakPolarHBondContact O-CB 3.4Å; L436-L440 WeakPolarHBondContact O-CG 3.38Å; L436-L440 PolarHBondContact O-N 3.13Å; T437-L440 PolarHBondContact O-N 2.91Å; L440-L443 HydrophobicContact CD2-CD2 4.36Å; L440-L443 PolarHBondContact O-N 3.41Å; L440-H444 WeakPolarHBondContact O-CB 3.45Å; L440-H444 PolarHBondContact O-N 3.31Å; L440-H453 HydrophobicContact CD2-CB 4.05Å; L440-L456 HydrophobicContact CD1-CB 4.25Å; L440-L456 HydrophobicContact CD1-CD2 3.98Å; L440-L456 HydrophobicContact CD1-CG 3.94Å; L440-L457 HydrophobicContact CB-CB 4.2Å; L440-L457 HydrophobicContact CB-CD1 3.97Å; L440-L457 HydrophobicContact CB-CG 4.48Å; L440-L457 HydrophobicContact CD1-CB 4.24Å
441	Q	84.4	Confident	82.5	Confident	35 Å²	35	54.3 Å²	54.3	16%	0.164	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-46.7	173.1	-79.5	175.1	-14.2	0	0	111.6	T437 Y439 H444 R445 L457 Y461	T437-Q441 HydrophobicContact CG2-CG 4.22Å; T437-Q441 VanDerWaalsContact O-CB 3.31Å; T437-Q441 WeakPolarHBondContact O-CB 3.38Å; T437-Q441 WeakPolarHBondContact O-CG 3.49Å; T437-Q441 PolarHBondContact O-N 3.48Å; Y439-Q441 VanDerWaalsContact C-N 3.33Å; Y439-Q441 PolarHBondContact O-N 2.97Å; Q441-H444 PolarHBondContact O-N 3.15Å; Q441-R445 WeakPolarHBondContact O-CG 3.44Å; Q441-R445 PolarHBondContact O-N 3.3Å; Q441-L457 HydrophobicContact CG-CD1 4.02Å; Q441-Y461 WeakPolarHBondContact CG-OH 3.49Å; Q441-Y461 PolarHBondContact NE2-OH 3.16Å
442	T	84.4	Confident	82.5	Confident	25 Å²	25	52.1 Å²	52.1	15%	0.153	27%	0.272	C	S	.	.	H	α-helix	trans	-66.9	-39	178	47.9	0	0	0	0	112.5	I412 I415 A438 Y439 H444 R445 Q446	I412-T442 HydrophobicContact CD1-CG2 4.13Å; I412-T442 HydrophobicContact CG1-CG2 4.49Å; I412-T442 WeakPolarHBondContact CG1-OG1 3.38Å; I412-T442 HydrophobicContact CG2-CG2 3.96Å; I415-T442 WeakPolarHBondContact CD1-OG1 3.28Å; A438-T442 PolarHBondContact O-N 3.5Å; A438-T442 VanDerWaalsContact O-N 3.13Å; A438-T442 PolarHBondContact O-OG1 3.12Å; A438-T442 VanDerWaalsContact O-OG1 3.14Å; Y439-T442 PolarHBondContact O-N 3.09Å; Y439-T442 PolarHBondContact O-OG1 2.96Å; T442-H444 VanDerWaalsContact C-N 3.3Å; T442-H444 PolarHBondContact O-N 2.93Å; T442-R445 PolarHBondContact O-N 2.92Å; T442-Q446 WeakPolarHBondContact O-CG 3.5Å; T442-Q446 PolarHBondContact O-N 3.41Å; T442-Q446 VanDerWaalsContact O-N 3.11Å
443	L	85.8	Confident	82.5	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-59.6	-43.5	174.7	-174.1	68.4	0	0	0	111.2	I415 P420 Y439 L440 Q446 S447 L448 A449 H453	I415-L443 HydrophobicContact CD1-CB 4.47Å; I415-L443 HydrophobicContact CG2-CD1 3.56Å; P420-L443 HydrophobicContact CB-CD2 3.97Å; P420-L443 HydrophobicContact CG-CD1 4.09Å; P420-L443 HydrophobicContact CG-CD2 4.06Å; Y439-L443 WeakPolarHBondContact O-CB 3.35Å; Y439-L443 PolarHBondContact O-N 3.15Å; L440-L443 HydrophobicContact CD2-CD2 4.36Å; L440-L443 PolarHBondContact O-N 3.41Å; L443-Q446 PolarHBondContact O-N 2.92Å; L443-S447 PolarHBondContact O-N 2.79Å; L443-L448 HydrophobicContact CD1-CB 3.92Å; L443-L448 PolarHBondContact O-N 3.05Å; L443-A449 HydrophobicContact CD2-CB 4.35Å; L443-A449 HydrophobicContact CG-CB 4.13Å; L443-H453 HydrophobicContact CD2-CB 4.27Å
444	H	79.5	Confident	82.2	Confident	37 Å²	37	49.4 Å²	49.4	17%	0.171	26%	0.261	C	S	.	.	H	α-helix	trans	-71	-37.1	177.7	-175.8	82.2	0	0	0	113	L440 Q441 T442 Q446 S447 A449 L457 F473 K477	L440-H444 WeakPolarHBondContact O-CB 3.45Å; L440-H444 PolarHBondContact O-N 3.31Å; Q441-H444 PolarHBondContact O-N 3.15Å; T442-H444 VanDerWaalsContact C-N 3.3Å; T442-H444 PolarHBondContact O-N 2.93Å; H444-Q446 PolarHBondContact O-N 3.13Å; H444-S447 PolarHBondContact O-N 3.21Å; H444-S447 VanDerWaalsContact O-N 3.15Å; H444-A449 HydrophobicContact CB-CB 4.07Å; H444-L457 HydrophobicContact CB-CD2 4.43Å; H444-F473 AromaticContact CD2-CE2 3.77Å; H444-F473 AromaticContact NE2-CE2 3.63Å; H444-K477 PolarHBondContact CD2-NZ 2.93Å; H444-K477 VanDerWaalsContact CD2-NZ 3.35Å; H444-K477 PolarHBondContact NE2-NZ 2.94Å
445	R	81.4	Confident	81.9	Confident	181 Å²	181	44 Å²	44	68%	0.683	24%	0.237	S	C	*	.	H	α-helix	trans	-62.2	-30.1	173.2	-77.4	-175.3	-168.8	125.6	1.9	112.6	Q441 T442 S447	Q441-R445 WeakPolarHBondContact O-CG 3.44Å; Q441-R445 PolarHBondContact O-N 3.3Å; T442-R445 PolarHBondContact O-N 2.92Å; R445-S447 VanDerWaalsContact C-N 3.31Å
446	Q	80.6	Confident	81.6	Confident	90 Å²	90	45 Å²	45	42%	0.421	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	8.1	177.6	-66.6	-179.5	2.9	0	0	113.5	T442 L443 H444 L448	T442-Q446 WeakPolarHBondContact O-CG 3.5Å; T442-Q446 PolarHBondContact O-N 3.41Å; T442-Q446 VanDerWaalsContact O-N 3.11Å; L443-Q446 PolarHBondContact O-N 2.92Å; H444-Q446 PolarHBondContact O-N 3.13Å; Q446-L448 HydrophobicContact CB-CD1 4.35Å; Q446-L448 PolarHBondContact O-N 3.41Å; Q446-L448 VanDerWaalsContact O-N 3.09Å
447	S	75.4	Confident	81.4	Confident	112 Å²	112	44.9 Å²	44.9	78%	0.783	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	22.9	-178.8	54.5	0	0	0	0	115.4	L443 H444 R445	L443-S447 PolarHBondContact O-N 2.79Å; H444-S447 PolarHBondContact O-N 3.21Å; H444-S447 VanDerWaalsContact O-N 3.15Å; R445-S447 VanDerWaalsContact C-N 3.31Å
448	L	76.8	Confident	81	Confident	91 Å²	91	44.5 Å²	44.5	48%	0.476	24%	0.24	S	C	.	.			trans	-102.1	6.7	177.7	-68.6	168.7	0	0	0	112.4	I415 L443 Q446	I415-L448 HydrophobicContact CG2-CD1 3.76Å; L443-L448 HydrophobicContact CD1-CB 3.92Å; L443-L448 PolarHBondContact O-N 3.05Å; Q446-L448 HydrophobicContact CB-CD1 4.35Å; Q446-L448 PolarHBondContact O-N 3.41Å; Q446-L448 VanDerWaalsContact O-N 3.09Å
449	A	75.8	Confident	80.7	Confident	15 Å²	15	45.5 Å²	45.5	12%	0.124	24%	0.24	C	C	.	.			trans	-82.1	135.7	177.4	0	0	0	0	0	110.8	L443 H444 H453	L443-A449 HydrophobicContact CD2-CB 4.35Å; L443-A449 HydrophobicContact CG-CB 4.13Å; H444-A449 HydrophobicContact CB-CB 4.07Å; A449-H453 HydrophobicContact CB-CB 4.25Å
450	N	80	Confident	80.4	Confident	67 Å²	67	45.8 Å²	45.8	36%	0.358	24%	0.243	S	C	.	.			trans	-86.7	177.9	169	66	20.5	0	0	0	111.3	D452 H453 T454	N450-D452 VanDerWaalsContact C-N 3.3Å; N450-D452 PolarHBondContact O-N 3.45Å; N450-D452 PolarHBondContact OD1-N 3.21Å; N450-H453 PolarHBondContact ND2-CD2 3.25Å; N450-H453 PolarHBondContact ND2-CE1 2.95Å; N450-H453 PolarHBondContact ND2-NE2 3.3Å; N450-H453 VanDerWaalsContact ND2-NE2 3.13Å; N450-H453 PolarHBondContact O-N 3.19Å; N450-H453 VanDerWaalsContact OD1-CB 3.24Å; N450-H453 WeakPolarHBondContact OD1-CB 3.46Å; N450-H453 PolarHBondContact OD1-CD2 3.43Å; N450-H453 PolarHBondContact OD1-N 3.31Å; N450-H453 PolarHBondContact OD1-ND1 3.12Å; N450-H453 PolarHBondContact OD1-NE2 2.89Å; N450-T454 PolarHBondContact O-N 3.3Å; N450-T454 VanDerWaalsContact O-N 3.11Å; N450-T454 PolarHBondContact O-OG1 3.15Å
451	A	72.9	Confident	80.2	Confident	35 Å²	35	46.4 Å²	46.4	29%	0.289	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-37.2	179.2	0	0	0	0	0	113.3	T454 T455 H483	A451-T454 PolarHBondContact O-N 3.35Å; A451-T455 WeakPolarHBondContact O-CB 3.45Å; A451-T455 PolarHBondContact O-N 3.34Å; A451-T455 PolarHBondContact O-OG1 3.37Å; A451-H483 WeakPolarHBondContact CA-O 3.27Å; A451-H483 PolarHBondContact N-O 2.94Å
452	D	78.6	Confident	79.9	Confident	123 Å²	123	45.7 Å²	45.7	66%	0.658	24%	0.243	S	C	*	.	H	α-helix	trans	-68.7	-41.7	179.1	-63.9	-26.6	0	0	0	112.1	N450 T454 T455 L456	N450-D452 VanDerWaalsContact C-N 3.3Å; N450-D452 PolarHBondContact O-N 3.45Å; N450-D452 PolarHBondContact OD1-N 3.21Å; D452-T454 VanDerWaalsContact C-N 3.3Å; D452-T454 PolarHBondContact O-N 3.04Å; D452-T455 PolarHBondContact O-N 3.06Å; D452-L456 WeakPolarHBondContact O-CB 3.45Å; D452-L456 PolarHBondContact O-N 3.11Å
453	H	81.4	Confident	79.7	Confident	19 Å²	19	52.1 Å²	52.1	9%	0.088	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-38.4	177.5	-63.8	-17.3	0	0	0	111.1	I424 L440 L443 A449 N450 L456 L457	I424-H453 VanDerWaalsContact CD1-CE1 3.48Å; I424-H453 WeakPolarHBondContact CD1-CE1 3.2Å; I424-H453 WeakPolarHBondContact CD1-ND1 3.46Å; L440-H453 HydrophobicContact CD2-CB 4.05Å; L443-H453 HydrophobicContact CD2-CB 4.27Å; A449-H453 HydrophobicContact CB-CB 4.25Å; N450-H453 PolarHBondContact ND2-CD2 3.25Å; N450-H453 PolarHBondContact ND2-CE1 2.95Å; N450-H453 PolarHBondContact ND2-NE2 3.3Å; N450-H453 VanDerWaalsContact ND2-NE2 3.13Å; N450-H453 PolarHBondContact O-N 3.19Å; N450-H453 VanDerWaalsContact OD1-CB 3.24Å; N450-H453 WeakPolarHBondContact OD1-CB 3.46Å; N450-H453 PolarHBondContact OD1-CD2 3.43Å; N450-H453 PolarHBondContact OD1-N 3.31Å; N450-H453 PolarHBondContact OD1-ND1 3.12Å; N450-H453 PolarHBondContact OD1-NE2 2.89Å; H453-L456 PolarHBondContact O-N 3.25Å; H453-L457 WeakPolarHBondContact O-CB 3.45Å; H453-L457 PolarHBondContact O-N 3.47Å
454	T	77.5	Confident	79.4	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-72.2	-38.6	177.8	-52	0	0	0	0	111.6	N450 A451 D452 L457 L458 F473 F484	N450-T454 PolarHBondContact O-N 3.3Å; N450-T454 VanDerWaalsContact O-N 3.11Å; N450-T454 PolarHBondContact O-OG1 3.15Å; A451-T454 PolarHBondContact O-N 3.35Å; D452-T454 VanDerWaalsContact C-N 3.3Å; D452-T454 PolarHBondContact O-N 3.04Å; T454-L457 WeakPolarHBondContact O-CB 3.45Å; T454-L457 PolarHBondContact O-N 2.82Å; T454-L458 PolarHBondContact O-N 2.84Å; T454-F473 HydrophobicContact CG2-CE1 4.26Å; T454-F473 HydrophobicContact CG2-CZ 3.66Å; T454-F484 HydrophobicContact CG2-CB 3.62Å; T454-F484 HydrophobicContact CG2-CD1 3.63Å; T454-F484 HydrophobicContact CG2-CG 3.99Å
455	T	79.3	Confident	79.1	Confident	19 Å²	19	60.6 Å²	60.6	12%	0.117	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-41.4	172.6	-56.6	0	0	0	0	111.5	A451 D452 L457 L458 N459 T488	A451-T455 WeakPolarHBondContact O-CB 3.45Å; A451-T455 PolarHBondContact O-N 3.34Å; A451-T455 PolarHBondContact O-OG1 3.37Å; D452-T455 PolarHBondContact O-N 3.06Å; T455-L457 VanDerWaalsContact C-N 3.33Å; T455-L457 PolarHBondContact O-N 3.38Å; T455-L458 WeakPolarHBondContact O-CB 3.41Å; T455-L458 PolarHBondContact O-N 3.44Å; T455-N459 PolarHBondContact O-N 3.02Å; T455-N459 PolarHBondContact O-ND2 3.42Å; T455-T488 HydrophobicContact CG2-CG2 3.66Å
456	L	82.3	Confident	78.8	Confident	44 Å²	44	54 Å²	54	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-39.4	175.1	-174.2	62.9	0	0	0	111.4	I424 L436 L440 D452 H453 N459 C460	I424-L456 HydrophobicContact CG2-CD2 3.66Å; L436-L456 HydrophobicContact CD2-CD2 4.31Å; L440-L456 HydrophobicContact CD1-CB 4.25Å; L440-L456 HydrophobicContact CD1-CD2 3.98Å; L440-L456 HydrophobicContact CD1-CG 3.94Å; D452-L456 WeakPolarHBondContact O-CB 3.45Å; D452-L456 PolarHBondContact O-N 3.11Å; H453-L456 PolarHBondContact O-N 3.25Å; L456-N459 WeakPolarHBondContact O-CB 3.4Å; L456-N459 PolarHBondContact O-N 3.09Å; L456-C460 PolarHBondContact O-N 3.31Å; L456-C460 PolarHBondContact O-SG 2.83Å
457	L	83.7	Confident	78.2	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-43.2	173.4	178.7	61	0	0	0	111.3	T437 L440 Q441 H444 H453 T454 T455 N459 C460 Y461 F473	T437-L457 HydrophobicContact CG2-CD1 3.89Å; L440-L457 HydrophobicContact CB-CB 4.2Å; L440-L457 HydrophobicContact CB-CD1 3.97Å; L440-L457 HydrophobicContact CB-CG 4.48Å; L440-L457 HydrophobicContact CD1-CB 4.24Å; Q441-L457 HydrophobicContact CG-CD1 4.02Å; H444-L457 HydrophobicContact CB-CD2 4.43Å; H453-L457 WeakPolarHBondContact O-CB 3.45Å; H453-L457 PolarHBondContact O-N 3.47Å; T454-L457 WeakPolarHBondContact O-CB 3.45Å; T454-L457 PolarHBondContact O-N 2.82Å; T455-L457 VanDerWaalsContact C-N 3.33Å; T455-L457 PolarHBondContact O-N 3.38Å; L457-N459 VanDerWaalsContact C-N 3.35Å; L457-N459 PolarHBondContact O-N 2.85Å; L457-C460 WeakPolarHBondContact O-CB 3.48Å; L457-C460 PolarHBondContact O-N 3.46Å; L457-C460 VanDerWaalsContact O-N 3.13Å; L457-Y461 HydrophobicContact CD1-CD2 4.36Å; L457-Y461 HydrophobicContact CD1-CE1 4.45Å; L457-Y461 HydrophobicContact CD1-CE2 3.82Å; L457-Y461 HydrophobicContact CD2-CE2 4.13Å; L457-Y461 HydrophobicContact CG-CD2 4.15Å; L457-Y461 HydrophobicContact CG-CE2 3.67Å; L457-Y461 WeakPolarHBondContact O-CD2 3.27Å; L457-Y461 PolarHBondContact O-N 3.08Å; L457-F473 HydrophobicContact CD2-CE2 4.04Å
458	L	78.8	Confident	78.1	Confident	1 Å²	1	51 Å²	51	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-60.6	-44.9	175.4	-138.1	102.2	0	0	0	111.4	T454 T455 C460 Y461 T462 L470 F473 A489 V492 L493	T454-L458 PolarHBondContact O-N 2.84Å; T455-L458 WeakPolarHBondContact O-CB 3.41Å; T455-L458 PolarHBondContact O-N 3.44Å; L458-C460 VanDerWaalsContact C-N 3.27Å; L458-C460 PolarHBondContact O-N 2.92Å; L458-Y461 PolarHBondContact O-N 2.66Å; L458-Y461 VanDerWaalsContact O-N 3.17Å; L458-T462 WeakPolarHBondContact O-CG2 3.49Å; L458-T462 PolarHBondContact O-N 2.91Å; L458-T462 PolarHBondContact O-OG1 2.96Å; L458-L470 HydrophobicContact CD1-CD1 4.4Å; L458-L470 HydrophobicContact CG-CD1 4.18Å; L458-F473 HydrophobicContact CD1-CD1 3.96Å; L458-F473 HydrophobicContact CD1-CE1 3.68Å; L458-A489 HydrophobicContact CD2-CB 4.05Å; L458-V492 HydrophobicContact CD2-CG1 4.42Å; L458-L493 HydrophobicContact CD2-CD1 4.26Å; L458-L493 HydrophobicContact CD2-CD2 4.15Å; L458-L493 HydrophobicContact CD2-CG 3.95Å
459	N	80.8	Confident	77.9	Confident	52 Å²	52	51.2 Å²	51.2	28%	0.278	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-34.8	174.3	-77.7	-28.3	0	0	0	112.6	T455 L456 L457 T462 K463 V492	T455-N459 PolarHBondContact O-N 3.02Å; T455-N459 PolarHBondContact O-ND2 3.42Å; L456-N459 WeakPolarHBondContact O-CB 3.4Å; L456-N459 PolarHBondContact O-N 3.09Å; L457-N459 VanDerWaalsContact C-N 3.35Å; L457-N459 PolarHBondContact O-N 2.85Å; N459-T462 WeakPolarHBondContact CA-OG1 3.46Å; N459-T462 PolarHBondContact O-OG1 3.23Å; N459-T462 VanDerWaalsContact O-OG1 3.07Å; N459-K463 WeakPolarHBondContact O-CB 3.43Å; N459-K463 WeakPolarHBondContact O-CG 3.34Å; N459-K463 PolarHBondContact O-N 3.28Å; N459-K463 VanDerWaalsContact O-N 3.15Å; N459-V492 WeakPolarHBondContact OD1-CG1 3.45Å; N459-V492 WeakPolarHBondContact OD1-CG2 3.13Å
460	C	82.4	Confident	77.8	Confident	7 Å²	7	50.6 Å²	50.6	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-45.3	173.5	-67.6	0	0	0	0	110.8	I433 T437 L456 L457 L458 K463 L464	I433-C460 HydrophobicContact CG2-CB 3.87Å; T437-C460 WeakPolarHBondContact OG1-CB 3.32Å; L456-C460 PolarHBondContact O-N 3.31Å; L456-C460 PolarHBondContact O-SG 2.83Å; L457-C460 WeakPolarHBondContact O-CB 3.48Å; L457-C460 PolarHBondContact O-N 3.46Å; L457-C460 VanDerWaalsContact O-N 3.13Å; L458-C460 VanDerWaalsContact C-N 3.27Å; L458-C460 PolarHBondContact O-N 2.92Å; C460-K463 PolarHBondContact O-N 3.43Å; C460-L464 WeakPolarHBondContact O-CB 3.17Å; C460-L464 VanDerWaalsContact O-CG 3.26Å; C460-L464 WeakPolarHBondContact O-CG 3.07Å; C460-L464 PolarHBondContact O-N 2.9Å
461	Y	81.8	Confident	77.3	Confident	14 Å²	14	51 Å²	51	6%	0.055	27%	0.266	C	S	.	.	H	α-helix	trans	-63.6	-43	177.7	-71.4	-45.6	0	0	0	113.3	T437 Q441 L457 L458 K463 L464 K465 D466 K469 L470 F473	T437-Y461 HydrophobicContact CG2-CD1 4.38Å; T437-Y461 HydrophobicContact CG2-CE1 3.86Å; Q441-Y461 WeakPolarHBondContact CG-OH 3.49Å; Q441-Y461 PolarHBondContact NE2-OH 3.16Å; L457-Y461 HydrophobicContact CD1-CD2 4.36Å; L457-Y461 HydrophobicContact CD1-CE1 4.45Å; L457-Y461 HydrophobicContact CD1-CE2 3.82Å; L457-Y461 HydrophobicContact CD2-CE2 4.13Å; L457-Y461 HydrophobicContact CG-CD2 4.15Å; L457-Y461 HydrophobicContact CG-CE2 3.67Å; L457-Y461 WeakPolarHBondContact O-CD2 3.27Å; L457-Y461 PolarHBondContact O-N 3.08Å; L458-Y461 PolarHBondContact O-N 2.66Å; L458-Y461 VanDerWaalsContact O-N 3.17Å; Y461-K463 VanDerWaalsContact C-N 3.33Å; Y461-K463 PolarHBondContact O-N 3.28Å; Y461-L464 PolarHBondContact O-N 3.11Å; Y461-K465 PolarHBondContact O-N 3.03Å; Y461-D466 PolarHBondContact O-N 3.37Å; Y461-K469 HydrophobicContact CD1-CB 4.42Å; Y461-K469 HydrophobicContact CE1-CB 4Å; Y461-K469 HydrophobicContact CE1-CD 4.3Å; Y461-L470 HydrophobicContact CD2-CD1 4.35Å; Y461-F473 HydrophobicContact CE2-CB 4.35Å; Y461-F473 HydrophobicContact CE2-CD2 4.3Å; Y461-F473 HydrophobicContact CE2-CG 4.24Å
462	T	78	Confident	77.3	Confident	21 Å²	21	55.2 Å²	55.2	13%	0.129	28%	0.28	C	S	.	.	H	α-helix	trans	-64.1	-39.2	178.1	56.3	0	0	0	0	111.6	L458 N459 K465 V492 L493 A496	L458-T462 WeakPolarHBondContact O-CG2 3.49Å; L458-T462 PolarHBondContact O-N 2.91Å; L458-T462 PolarHBondContact O-OG1 2.96Å; N459-T462 WeakPolarHBondContact CA-OG1 3.46Å; N459-T462 PolarHBondContact O-OG1 3.23Å; N459-T462 VanDerWaalsContact O-OG1 3.07Å; T462-K465 PolarHBondContact O-N 2.87Å; T462-V492 HydrophobicContact CG2-CG1 4.23Å; T462-L493 HydrophobicContact CG2-CD2 4.29Å; T462-A496 HydrophobicContact CG2-CB 4.2Å
463	K	80.8	Confident	77	Confident	160 Å²	160	50.8 Å²	50.8	70%	0.696	26%	0.255	S	S	*	.	H	α-helix	trans	-68.4	-38.1	174.4	-76.6	-176	177.7	-176.6	0	113.4	I433 N459 C460 Y461 K465	I433-K463 HydrophobicContact CD1-CD 4.46Å; N459-K463 WeakPolarHBondContact O-CB 3.43Å; N459-K463 WeakPolarHBondContact O-CG 3.34Å; N459-K463 PolarHBondContact O-N 3.28Å; N459-K463 VanDerWaalsContact O-N 3.15Å; C460-K463 PolarHBondContact O-N 3.43Å; Y461-K463 VanDerWaalsContact C-N 3.33Å; Y461-K463 PolarHBondContact O-N 3.28Å; K463-K465 PolarHBondContact O-N 3.3Å
464	L	79.6	Confident	76.6	Confident	50 Å²	50	50.6 Å²	50.6	26%	0.262	25%	0.254	S	S	.	.	H	α-helix	trans	-75.4	-9.9	177.4	-70.8	178.3	0	0	0	113.3	I433 H434 C460 Y461 D466	I433-L464 HydrophobicContact CB-CD2 4.25Å; I433-L464 HydrophobicContact CG2-CD1 3.88Å; I433-L464 HydrophobicContact CG2-CD2 3.94Å; I433-L464 HydrophobicContact CG2-CG 3.75Å; H434-L464 VanDerWaalsContact CE1-CD2 3.48Å; H434-L464 WeakPolarHBondContact CE1-CD2 3.38Å; C460-L464 WeakPolarHBondContact O-CB 3.17Å; C460-L464 VanDerWaalsContact O-CG 3.26Å; C460-L464 WeakPolarHBondContact O-CG 3.07Å; C460-L464 PolarHBondContact O-N 2.9Å; Y461-L464 PolarHBondContact O-N 3.11Å; L464-D466 PolarHBondContact O-N 3.21Å
465	K	74.3	Confident	76.2	Confident	166 Å²	166	55.4 Å²	55.4	72%	0.722	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	29.1	-175.2	-58.8	-175	178.5	-176.8	0	113.7	Y461 T462 K463 S467	Y461-K465 PolarHBondContact O-N 3.03Å; T462-K465 PolarHBondContact O-N 2.87Å; K463-K465 PolarHBondContact O-N 3.3Å; K465-S467 PolarHBondContact O-N 3.1Å; K465-S467 VanDerWaalsContact O-N 3.07Å
466	D	73.9	Confident	75.3	Confident	43 Å²	43	59.2 Å²	59.2	23%	0.23	30%	0.298	C	S	.	.			trans	-84.3	79.9	178.2	-166	-19.1	0	0	0	109.4	Y461 L464 S468 K469 L470	Y461-D466 PolarHBondContact O-N 3.37Å; L464-D466 PolarHBondContact O-N 3.21Å; D466-S468 VanDerWaalsContact C-N 3.31Å; D466-S468 PolarHBondContact O-N 3.23Å; D466-K469 PolarHBondContact OD1-N 3.38Å; D466-K469 VanDerWaalsContact OD2-CD 3.3Å; D466-K469 WeakPolarHBondContact OD2-CD 3.31Å; D466-K469 WeakPolarHBondContact OD2-CE 3.43Å; D466-K469 WeakPolarHBondContact OD2-CG 3.27Å; D466-K469 IonicContact OD2-NZ 2.68Å; D466-K469 PolarHBondContact OD2-NZ 3.47Å; D466-L470 WeakPolarHBondContact O-CB 3.33Å; D466-L470 PolarHBondContact O-N 2.93Å; D466-L470 VanDerWaalsContact O-N 3.17Å
467	S	68.9	Low	73.9	Confident	59 Å²	59	61.2 Å²	61.2	41%	0.413	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-33	-174.7	55.9	0	0	0	0	112.9	K465 E471	K465-S467 PolarHBondContact O-N 3.1Å; K465-S467 VanDerWaalsContact O-N 3.07Å; S467-E471 VanDerWaalsContact O-CB 3.28Å; S467-E471 WeakPolarHBondContact O-CB 3.28Å; S467-E471 PolarHBondContact O-N 2.75Å
468	S	73.2	Confident	72.1	Confident	81 Å²	81	65.5 Å²	65.5	57%	0.566	34%	0.335	S	S	*	.	H	α-helix	trans	-70.3	-44.4	-179	-59.3	0	0	0	0	112.3	D466 L470 E471 E472	D466-S468 VanDerWaalsContact C-N 3.31Å; D466-S468 PolarHBondContact O-N 3.23Å; S468-L470 VanDerWaalsContact C-N 3.33Å; S468-E471 PolarHBondContact O-N 3.36Å; S468-E472 WeakPolarHBondContact O-CB 3.44Å; S468-E472 PolarHBondContact O-N 3.46Å
469	K	71.4	Confident	70.5	Confident	94 Å²	94	74.4 Å²	74.4	41%	0.409	38%	0.377	S	S	.	.	H	α-helix	trans	-69.9	-32.4	175.8	-68.7	-164	-167.8	108.8	0	112.6	Y461 D466 F473	Y461-K469 HydrophobicContact CD1-CB 4.42Å; Y461-K469 HydrophobicContact CE1-CB 4Å; Y461-K469 HydrophobicContact CE1-CD 4.3Å; D466-K469 PolarHBondContact OD1-N 3.38Å; D466-K469 VanDerWaalsContact OD2-CD 3.3Å; D466-K469 WeakPolarHBondContact OD2-CD 3.31Å; D466-K469 WeakPolarHBondContact OD2-CE 3.43Å; D466-K469 WeakPolarHBondContact OD2-CG 3.27Å; D466-K469 IonicContact OD2-NZ 2.68Å; D466-K469 PolarHBondContact OD2-NZ 3.47Å; K469-F473 WeakPolarHBondContact O-CB 3.39Å; K469-F473 PolarHBondContact O-N 3.49Å
470	L	74.1	Confident	68.7	Low	2 Å²	2	75.7 Å²	75.7	1%	0.01	39%	0.39	C	S	.	.	H	α-helix	trans	-65.7	-42.7	173.4	-176.9	65.7	0	0	0	111.1	L458 Y461 D466 S468 F473 I474 L493	L458-L470 HydrophobicContact CD1-CD1 4.4Å; L458-L470 HydrophobicContact CG-CD1 4.18Å; Y461-L470 HydrophobicContact CD2-CD1 4.35Å; D466-L470 WeakPolarHBondContact O-CB 3.33Å; D466-L470 PolarHBondContact O-N 2.93Å; D466-L470 VanDerWaalsContact O-N 3.17Å; S468-L470 VanDerWaalsContact C-N 3.33Å; L470-F473 WeakPolarHBondContact O-CB 3.4Å; L470-F473 PolarHBondContact O-N 2.83Å; L470-I474 HydrophobicContact CD1-CD1 3.97Å; L470-I474 HydrophobicContact CD1-CG1 4.47Å; L470-I474 HydrophobicContact CG-CD1 3.93Å; L470-I474 WeakPolarHBondContact O-CB 3.49Å; L470-I474 VanDerWaalsContact O-CG1 3.27Å; L470-I474 WeakPolarHBondContact O-CG1 3.41Å; L470-I474 PolarHBondContact O-N 3.48Å; L470-L493 HydrophobicContact CD2-CD2 4Å
471	E	70.8	Confident	67	Low	76 Å²	76	83.7 Å²	83.7	36%	0.355	43%	0.427	S	S	.	.	H	α-helix	trans	-65.1	-44.6	176.6	-176.1	172.4	-166.3	0	0	111.8	S467 S468 F473 I474 K475	S467-E471 VanDerWaalsContact O-CB 3.28Å; S467-E471 WeakPolarHBondContact O-CB 3.28Å; S467-E471 PolarHBondContact O-N 2.75Å; S468-E471 PolarHBondContact O-N 3.36Å; E471-F473 VanDerWaalsContact C-N 3.32Å; E471-F473 PolarHBondContact O-N 3.46Å; E471-I474 PolarHBondContact O-N 3.25Å; E471-K475 HydrophobicContact CG-CD 3.75Å; E471-K475 HydrophobicContact CG-CG 4.32Å; E471-K475 VanDerWaalsContact O-CB 3.27Å; E471-K475 WeakPolarHBondContact O-CB 3.31Å; E471-K475 WeakPolarHBondContact O-CG 3.46Å; E471-K475 PolarHBondContact O-N 3.01Å; E471-K475 WeakPolarHBondContact OE1-CE 3.12Å; E471-K475 IonicContact OE1-NZ 2.91Å; E471-K475 PolarHBondContact OE1-NZ 3.35Å
472	E	73	Confident	65.5	Low	124 Å²	124	85.2 Å²	85.2	58%	0.579	44%	0.437	S	S	*	.	H	α-helix	trans	-60.2	-42	172.1	-171.4	-174.3	172.6	0	0	111.2	S468 I474 T476	S468-E472 WeakPolarHBondContact O-CB 3.44Å; S468-E472 PolarHBondContact O-N 3.46Å; E472-I474 VanDerWaalsContact C-N 3.33Å; E472-I474 PolarHBondContact O-N 3.46Å; E472-T476 WeakPolarHBondContact CG-OG1 3.48Å; E472-T476 WeakPolarHBondContact O-CB 3.32Å; E472-T476 PolarHBondContact O-N 3.13Å; E472-T476 PolarHBondContact O-OG1 3.47Å
473	F	71.9	Confident	64.4	Low	29 Å²	29	90.9 Å²	90.9	13%	0.127	46%	0.462	C	S	.	.	H	α-helix	trans	-62.9	-39.6	178.4	-176.1	-96.8	0	0	0	112.5	H444 T454 L457 L458 Y461 K469 L470 E471 F484	H444-F473 AromaticContact CD2-CE2 3.77Å; H444-F473 AromaticContact NE2-CE2 3.63Å; T454-F473 HydrophobicContact CG2-CE1 4.26Å; T454-F473 HydrophobicContact CG2-CZ 3.66Å; L457-F473 HydrophobicContact CD2-CE2 4.04Å; L458-F473 HydrophobicContact CD1-CD1 3.96Å; L458-F473 HydrophobicContact CD1-CE1 3.68Å; Y461-F473 HydrophobicContact CE2-CB 4.35Å; Y461-F473 HydrophobicContact CE2-CD2 4.3Å; Y461-F473 HydrophobicContact CE2-CG 4.24Å; K469-F473 WeakPolarHBondContact O-CB 3.39Å; K469-F473 PolarHBondContact O-N 3.49Å; L470-F473 WeakPolarHBondContact O-CB 3.4Å; L470-F473 PolarHBondContact O-N 2.83Å; E471-F473 VanDerWaalsContact C-N 3.32Å; E471-F473 PolarHBondContact O-N 3.46Å; F473-F484 HydrophobicContact CE1-CE1 4.36Å
474	I	72.1	Confident	63.6	Low	15 Å²	15	84.5 Å²	84.5	8%	0.077	43%	0.434	C	S	.	.	H	α-helix	trans	-79.9	-35.1	-178.7	-68.2	171.7	0	0	0	111.9	L470 E471 E472 L493 H501 Y504 L505	L470-I474 HydrophobicContact CD1-CD1 3.97Å; L470-I474 HydrophobicContact CD1-CG1 4.47Å; L470-I474 HydrophobicContact CG-CD1 3.93Å; L470-I474 WeakPolarHBondContact O-CB 3.49Å; L470-I474 VanDerWaalsContact O-CG1 3.27Å; L470-I474 WeakPolarHBondContact O-CG1 3.41Å; L470-I474 PolarHBondContact O-N 3.48Å; E471-I474 PolarHBondContact O-N 3.25Å; E472-I474 VanDerWaalsContact C-N 3.33Å; E472-I474 PolarHBondContact O-N 3.46Å; I474-L493 HydrophobicContact CD1-CD1 4.21Å; I474-H501 HydrophobicContact CD1-CB 4.01Å; I474-Y504 HydrophobicContact CG2-CD1 3.43Å; I474-Y504 VanDerWaalsContact CG2-CD1 3.43Å; I474-Y504 HydrophobicContact CG2-CE1 3.68Å; I474-L505 HydrophobicContact CD1-CD1 4.1Å; I474-L505 HydrophobicContact CG1-CD1 4.3Å; I474-L505 HydrophobicContact CG2-CD1 4.44Å; I474-L505 HydrophobicContact CG2-CD2 4.02Å; I474-L505 HydrophobicContact CG2-CG 3.95Å
475	K	68.8	Low	63	Low	105 Å²	105	85.5 Å²	85.5	46%	0.457	44%	0.44	S	S	.	.	H	α-helix	trans	-90.4	-31.6	-175.3	-69	-175.2	177.1	179.5	0	114.4	E471 K477 Y504	E471-K475 HydrophobicContact CG-CD 3.75Å; E471-K475 HydrophobicContact CG-CG 4.32Å; E471-K475 VanDerWaalsContact O-CB 3.27Å; E471-K475 WeakPolarHBondContact O-CB 3.31Å; E471-K475 WeakPolarHBondContact O-CG 3.46Å; E471-K475 PolarHBondContact O-N 3.01Å; E471-K475 WeakPolarHBondContact OE1-CE 3.12Å; E471-K475 IonicContact OE1-NZ 2.91Å; E471-K475 PolarHBondContact OE1-NZ 3.35Å; K475-K477 PolarHBondContact O-N 3.05Å; K475-Y504 HydrophobicContact CG-CE1 4.4Å
476	T	60.6	Low	63	Low	98 Å²	98	78.3 Å²	78.3	60%	0.601	41%	0.41	S	S	*	.	S	Bend	trans	-84.1	-3.5	-170.1	-50.6	0	0	0	0	113.9	E472	E472-T476 WeakPolarHBondContact CG-OG1 3.48Å; E472-T476 WeakPolarHBondContact O-CB 3.32Å; E472-T476 PolarHBondContact O-N 3.13Å; E472-T476 PolarHBondContact O-OG1 3.47Å
477	K	54.3	Low	63	Low	86 Å²	86	79.8 Å²	79.8	37%	0.374	42%	0.415	S	S	.	.			trans	-135	66.3	-177.4	-77.1	-169.6	175	-169.5	0	114.2	H444 K475	H444-K477 PolarHBondContact CD2-NZ 2.93Å; H444-K477 VanDerWaalsContact CD2-NZ 3.35Å; H444-K477 PolarHBondContact NE2-NZ 2.94Å; K475-K477 PolarHBondContact O-N 3.05Å
478	S	45.7	Very low	63.4	Low	93 Å²	93	79.1 Å²	79.1	65%	0.65	41%	0.409	S	S	*	.	S	Bend	trans	-92.6	3	166.3	46.6	0	0	0	0	114.2
479	E	45.4	Very low	63.5	Low	188 Å²	188	75.3 Å²	75.3	88%	0.879	38%	0.382	S	S	*	.	S	Bend	trans	-118.6	-2.6	-175.2	-73.6	-176.3	168.3	0	0	115.6
480	S	41.4	Very low	63.9	Low	79 Å²	79	70.9 Å²	70.9	55%	0.552	36%	0.363	S	S	*	.	S	Bend	trans	-124.2	119	176.8	-48.2	0	0	0	0	109.1	V482	S480-V482 PolarHBondContact O-N 2.88Å; S480-V482 VanDerWaalsContact O-N 3.09Å
481	E	47.5	Very low	64.3	Low	175 Å²	175	74.3 Å²	74.3	82%	0.818	38%	0.378	S	S	*	.			trans	-31.9	111.1	-178.2	-76.2	176.4	145	0	0	112.9	H483	E481-H483 PolarHBondContact O-N 2.96Å
482	V	50.3	Low	64.8	Low	46 Å²	46	71.5 Å²	71.5	28%	0.279	37%	0.366	S	S	.	.			trans	-77.4	92	-177.5	179	0	0	0	0	108.3	S480 F484	S480-V482 PolarHBondContact O-N 2.88Å; S480-V482 VanDerWaalsContact O-N 3.09Å; V482-F484 HydrophobicContact CB-CD1 4.4Å; V482-F484 HydrophobicContact CB-CE1 4.31Å; V482-F484 HydrophobicContact CG1-CB 4.37Å; V482-F484 HydrophobicContact CG1-CD1 2.96Å; V482-F484 HydrophobicContact CG1-CD2 3.95Å; V482-F484 HydrophobicContact CG1-CE1 2.93Å; V482-F484 HydrophobicContact CG1-CE2 3.91Å; V482-F484 HydrophobicContact CG1-CG 3.48Å; V482-F484 VanDerWaalsContact CG1-CG 3.48Å; V482-F484 HydrophobicContact CG1-CZ 3.41Å; V482-F484 VanDerWaalsContact CG1-CZ 3.41Å; V482-F484 PolarHBondContact O-N 3.38Å
483	H	54.1	Low	65.1	Low	140 Å²	140	65.6 Å²	65.6	65%	0.648	34%	0.338	S	S	*	.			trans	-76.9	58.4	166	-69.2	-52.6	0	0	0	110.7	A451 E481	A451-H483 WeakPolarHBondContact CA-O 3.27Å; A451-H483 PolarHBondContact N-O 2.94Å; E481-H483 PolarHBondContact O-N 2.96Å
484	F	63.8	Low	65.7	Low	26 Å²	26	66.3 Å²	66.3	11%	0.114	34%	0.34	C	S	.	.	S	Bend	trans	-127.8	151.1	162.2	70.7	-115.2	0	0	0	110.8	T454 F473 V482 V486 A489 L505	T454-F484 HydrophobicContact CG2-CB 3.62Å; T454-F484 HydrophobicContact CG2-CD1 3.63Å; T454-F484 HydrophobicContact CG2-CG 3.99Å; F473-F484 HydrophobicContact CE1-CE1 4.36Å; V482-F484 HydrophobicContact CB-CD1 4.4Å; V482-F484 HydrophobicContact CB-CE1 4.31Å; V482-F484 HydrophobicContact CG1-CB 4.37Å; V482-F484 HydrophobicContact CG1-CD1 2.96Å; V482-F484 HydrophobicContact CG1-CD2 3.95Å; V482-F484 HydrophobicContact CG1-CE1 2.93Å; V482-F484 HydrophobicContact CG1-CE2 3.91Å; V482-F484 HydrophobicContact CG1-CG 3.48Å; V482-F484 VanDerWaalsContact CG1-CG 3.48Å; V482-F484 HydrophobicContact CG1-CZ 3.41Å; V482-F484 VanDerWaalsContact CG1-CZ 3.41Å; V482-F484 PolarHBondContact O-N 3.38Å; F484-V486 HydrophobicContact CD2-CG2 4.05Å; F484-V486 HydrophobicContact CE2-CB 4.19Å; F484-V486 HydrophobicContact CE2-CG1 4.42Å; F484-V486 HydrophobicContact CE2-CG2 3.78Å; F484-V486 PolarHBondContact O-N 2.93Å; F484-A489 HydrophobicContact CD2-CB 3.95Å; F484-A489 HydrophobicContact CE2-CB 3.78Å; F484-L505 HydrophobicContact CZ-CD2 4.02Å
485	D	67.1	Low	66.1	Low	70 Å²	70	73.8 Å²	73.8	37%	0.374	38%	0.375	S	S	.	.			trans	-70.9	96.1	174.4	178.7	-0.2	0	0	0	108.8	E487 T488 A489	D485-E487 PolarHBondContact O-N 3.37Å; D485-E487 WeakPolarHBondContact OD1-CB 3.44Å; D485-E487 PolarHBondContact OD1-N 3.49Å; D485-E487 VanDerWaalsContact OD1-N 3.1Å; D485-T488 PolarHBondContact O-N 2.96Å; D485-T488 PolarHBondContact OD1-N 2.99Å; D485-T488 VanDerWaalsContact OD2-CB 3.3Å; D485-T488 WeakPolarHBondContact OD2-CB 3.32Å; D485-T488 PolarHBondContact OD2-OG1 3.44Å; D485-A489 PolarHBondContact O-N 3.11Å
486	V	73.9	Confident	66.5	Low	15 Å²	15	71 Å²	71	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-59.5	-34.3	-177.3	-175.2	0	0	0	0	110.7	F484 A489 I490 H509	F484-V486 HydrophobicContact CD2-CG2 4.05Å; F484-V486 HydrophobicContact CE2-CB 4.19Å; F484-V486 HydrophobicContact CE2-CG1 4.42Å; F484-V486 HydrophobicContact CE2-CG2 3.78Å; F484-V486 PolarHBondContact O-N 2.93Å; V486-A489 PolarHBondContact O-N 2.69Å; V486-I490 HydrophobicContact CG1-CD1 3.87Å; V486-I490 HydrophobicContact CG1-CG1 4.36Å; V486-I490 WeakPolarHBondContact O-CB 3.46Å; V486-I490 WeakPolarHBondContact O-CD1 3.45Å; V486-I490 WeakPolarHBondContact O-CG1 3.28Å; V486-I490 PolarHBondContact O-N 3Å; V486-H509 HydrophobicContact CG1-CB 3.85Å; V486-H509 HydrophobicContact CG2-CB 4.42Å
487	E	75.7	Confident	67.4	Low	75 Å²	75	68.1 Å²	68.1	35%	0.35	36%	0.361	S	S	.	.	H	α-helix	trans	-65.5	-46.3	177.8	-174.1	179	165.1	0	0	111.3	D485 I490 K491 W514	D485-E487 PolarHBondContact O-N 3.37Å; D485-E487 WeakPolarHBondContact OD1-CB 3.44Å; D485-E487 PolarHBondContact OD1-N 3.49Å; D485-E487 VanDerWaalsContact OD1-N 3.1Å; E487-I490 PolarHBondContact O-N 2.9Å; E487-K491 HydrophobicContact CG-CD 4.49Å; E487-K491 WeakPolarHBondContact O-CG 3.24Å; E487-K491 PolarHBondContact O-N 3.4Å; E487-K491 VanDerWaalsContact OE1-CE 3.24Å; E487-K491 WeakPolarHBondContact OE1-CE 3.02Å; E487-K491 IonicContact OE1-NZ 3.42Å; E487-K491 PolarHBondContact OE1-NZ 3.09Å; E487-W514 HydrophobicContact CG-CZ2 4.08Å
488	T	76.3	Confident	68.7	Low	45 Å²	45	66.9 Å²	66.9	28%	0.276	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-39	176.6	-66.1	0	0	0	0	111.6	T455 D485 I490 K491 V492	T455-T488 HydrophobicContact CG2-CG2 3.66Å; D485-T488 PolarHBondContact O-N 2.96Å; D485-T488 PolarHBondContact OD1-N 2.99Å; D485-T488 VanDerWaalsContact OD2-CB 3.3Å; D485-T488 WeakPolarHBondContact OD2-CB 3.32Å; D485-T488 PolarHBondContact OD2-OG1 3.44Å; T488-I490 PolarHBondContact O-N 3.34Å; T488-K491 PolarHBondContact O-N 3.05Å; T488-V492 HydrophobicContact CG2-CG2 4.36Å; T488-V492 VanDerWaalsContact O-CG2 3.31Å; T488-V492 WeakPolarHBondContact O-CG2 3.33Å; T488-V492 PolarHBondContact O-N 3.13Å
489	A	76.3	Confident	70.5	Confident	1 Å²	1	67 Å²	67	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-60.4	-44.6	174.6	0	0	0	0	0	112.1	L458 F484 D485 V486 K491 V492 L493	L458-A489 HydrophobicContact CD2-CB 4.05Å; F484-A489 HydrophobicContact CD2-CB 3.95Å; F484-A489 HydrophobicContact CE2-CB 3.78Å; D485-A489 PolarHBondContact O-N 3.11Å; V486-A489 PolarHBondContact O-N 2.69Å; A489-K491 PolarHBondContact O-N 3.3Å; A489-V492 PolarHBondContact O-N 3.45Å; A489-L493 WeakPolarHBondContact O-CB 3.5Å; A489-L493 VanDerWaalsContact O-CG 3.28Å; A489-L493 WeakPolarHBondContact O-CG 3.15Å; A489-L493 PolarHBondContact O-N 3.06Å
490	I	79.9	Confident	72.2	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-44.4	175.6	-69.7	164.4	0	0	0	110.8	V486 E487 T488 L493 R494 A502 L505 A506 H511 W514 I518	V486-I490 HydrophobicContact CG1-CD1 3.87Å; V486-I490 HydrophobicContact CG1-CG1 4.36Å; V486-I490 WeakPolarHBondContact O-CB 3.46Å; V486-I490 WeakPolarHBondContact O-CD1 3.45Å; V486-I490 WeakPolarHBondContact O-CG1 3.28Å; V486-I490 PolarHBondContact O-N 3Å; E487-I490 PolarHBondContact O-N 2.9Å; T488-I490 PolarHBondContact O-N 3.34Å; I490-L493 PolarHBondContact O-N 2.73Å; I490-R494 VanDerWaalsContact O-CB 3.32Å; I490-R494 WeakPolarHBondContact O-CB 3.45Å; I490-R494 PolarHBondContact O-N 3.23Å; I490-A502 HydrophobicContact CG2-CB 4.44Å; I490-L505 HydrophobicContact CG1-CB 4.32Å; I490-A506 HydrophobicContact CD1-CB 3.9Å; I490-H511 HydrophobicContact CD1-CB 4.16Å; I490-W514 HydrophobicContact CD1-CB 4.33Å; I490-W514 HydrophobicContact CG2-CB 4.07Å; I490-W514 HydrophobicContact CG2-CD2 4.28Å; I490-W514 HydrophobicContact CG2-CE3 4.18Å; I490-W514 HydrophobicContact CG2-CG 4.25Å; I490-I518 HydrophobicContact CG2-CD1 3.86Å
491	K	81.1	Confident	74.1	Confident	74 Å²	74	59.6 Å²	59.6	32%	0.322	31%	0.307	S	S	.	.	H	α-helix	trans	-60.2	-46.7	177.1	-73.7	170.2	-174.3	163	0	112	E487 T488 A489 R494 Q495 W514	E487-K491 HydrophobicContact CG-CD 4.49Å; E487-K491 WeakPolarHBondContact O-CG 3.24Å; E487-K491 PolarHBondContact O-N 3.4Å; E487-K491 VanDerWaalsContact OE1-CE 3.24Å; E487-K491 WeakPolarHBondContact OE1-CE 3.02Å; E487-K491 IonicContact OE1-NZ 3.42Å; E487-K491 PolarHBondContact OE1-NZ 3.09Å; T488-K491 PolarHBondContact O-N 3.05Å; A489-K491 PolarHBondContact O-N 3.3Å; K491-R494 PolarHBondContact O-N 2.96Å; K491-Q495 WeakPolarHBondContact O-CB 3.3Å; K491-Q495 WeakPolarHBondContact O-CG 3.24Å; K491-Q495 PolarHBondContact O-N 2.73Å; K491-W514 HydrophobicContact CD-CH2 4.2Å; K491-W514 HydrophobicContact CD-CZ2 4.34Å; K491-W514 VanDerWaalsContact CE-CH2 3.42Å; K491-W514 HydrophobicContact CG-CH2 3.73Å; K491-W514 HydrophobicContact CG-CZ2 4.15Å; K491-W514 HydrophobicContact CG-CZ3 4.14Å
492	V	81.6	Confident	75.8	Confident	18 Å²	18	51.2 Å²	51.2	11%	0.109	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-45.4	178.5	167.3	0	0	0	0	110.9	L458 N459 T462 T488 A489 Q495 A496	L458-V492 HydrophobicContact CD2-CG1 4.42Å; N459-V492 WeakPolarHBondContact OD1-CG1 3.45Å; N459-V492 WeakPolarHBondContact OD1-CG2 3.13Å; T462-V492 HydrophobicContact CG2-CG1 4.23Å; T488-V492 HydrophobicContact CG2-CG2 4.36Å; T488-V492 VanDerWaalsContact O-CG2 3.31Å; T488-V492 WeakPolarHBondContact O-CG2 3.33Å; T488-V492 PolarHBondContact O-N 3.13Å; A489-V492 PolarHBondContact O-N 3.45Å; V492-Q495 PolarHBondContact O-N 2.59Å; V492-A496 VanDerWaalsContact O-CB 3.28Å; V492-A496 WeakPolarHBondContact O-CB 3.36Å; V492-A496 PolarHBondContact O-N 3.48Å
493	L	80.3	Confident	77.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-39.4	178.8	-70.2	169.1	0	0	0	112.1	L458 T462 L470 I474 A489 I490 A496 G497 Y498 H501 A502 L505	L458-L493 HydrophobicContact CD2-CD1 4.26Å; L458-L493 HydrophobicContact CD2-CD2 4.15Å; L458-L493 HydrophobicContact CD2-CG 3.95Å; T462-L493 HydrophobicContact CG2-CD2 4.29Å; L470-L493 HydrophobicContact CD2-CD2 4Å; I474-L493 HydrophobicContact CD1-CD1 4.21Å; A489-L493 WeakPolarHBondContact O-CB 3.5Å; A489-L493 VanDerWaalsContact O-CG 3.28Å; A489-L493 WeakPolarHBondContact O-CG 3.15Å; A489-L493 PolarHBondContact O-N 3.06Å; I490-L493 PolarHBondContact O-N 2.73Å; L493-A496 PolarHBondContact O-N 3.16Å; L493-G497 PolarHBondContact O-N 2.68Å; L493-G497 VanDerWaalsContact O-N 3.13Å; L493-Y498 PolarHBondContact O-N 3.01Å; L493-H501 HydrophobicContact CD1-CB 4.41Å; L493-A502 HydrophobicContact CB-CB 3.94Å; L493-L505 HydrophobicContact CD1-CD1 3.36Å
494	R	83.4	Confident	78.7	Confident	44 Å²	44	47.2 Å²	47.2	17%	0.166	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-45.5	173.7	-174.9	-177.9	178.9	178.8	-0.7	111.4	I490 K491 A496 G497 Y499 E521 D522	I490-R494 VanDerWaalsContact O-CB 3.32Å; I490-R494 WeakPolarHBondContact O-CB 3.45Å; I490-R494 PolarHBondContact O-N 3.23Å; K491-R494 PolarHBondContact O-N 2.96Å; R494-A496 VanDerWaalsContact C-N 3.32Å; R494-A496 PolarHBondContact O-N 3.1Å; R494-G497 PolarHBondContact O-N 2.89Å; R494-Y499 HydrophobicContact CG-CD1 4.4Å; R494-Y499 HydrophobicContact CG-CE1 4.11Å; R494-E521 IonicContact CZ-OE2 2.73Å; R494-E521 IonicContact NH1-OE2 2.79Å; R494-E521 IonicContact NH2-OE2 3.54Å; R494-E521 PolarHBondContact NH2-OE2 3.33Å; R494-D522 IonicContact CZ-OD1 2.75Å; R494-D522 IonicContact CZ-OD2 3.59Å; R494-D522 IonicContact NE-OD1 3.71Å; R494-D522 PolarHBondContact NE-OD1 3.4Å; R494-D522 IonicContact NE-OD2 3.28Å; R494-D522 PolarHBondContact NE-OD2 2.68Å; R494-D522 VanDerWaalsContact NH2-CG 3.29Å; R494-D522 IonicContact NH2-OD1 2.62Å; R494-D522 PolarHBondContact NH2-OD1 2.9Å; R494-D522 IonicContact NH2-OD2 3.63Å; R494-D522 PolarHBondContact NH2-OD2 3.1Å; R494-D522 VanDerWaalsContact NH2-OD2 3.1Å
495	Q	81.8	Confident	79.5	Confident	171 Å²	171	46.2 Å²	46.2	80%	0.799	24%	0.24	S	C	*	.	H	α-helix	trans	-65.2	-35.6	176.6	-74.1	176.7	0.8	0	0	112.6	K491 V492 G497	K491-Q495 WeakPolarHBondContact O-CB 3.3Å; K491-Q495 WeakPolarHBondContact O-CG 3.24Å; K491-Q495 PolarHBondContact O-N 2.73Å; V492-Q495 PolarHBondContact O-N 2.59Å; Q495-G497 PolarHBondContact O-N 2.81Å
496	A	77.3	Confident	80.3	Confident	47 Å²	47	42.9 Å²	42.9	39%	0.388	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-4.8	177.2	0	0	0	0	0	113.6	T462 V492 L493 R494 Y498	T462-A496 HydrophobicContact CG2-CB 4.2Å; V492-A496 VanDerWaalsContact O-CB 3.28Å; V492-A496 WeakPolarHBondContact O-CB 3.36Å; V492-A496 PolarHBondContact O-N 3.48Å; L493-A496 PolarHBondContact O-N 3.16Å; R494-A496 VanDerWaalsContact C-N 3.32Å; R494-A496 PolarHBondContact O-N 3.1Å; A496-Y498 HydrophobicContact CB-CD2 3.74Å; A496-Y498 HydrophobicContact CB-CE2 4.11Å
497	G	78.1	Confident	80.7	Confident	37 Å²	37	46.2 Å²	46.2	38%	0.381	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	9.9	178.9	0	0	0	0	0	115.2	L493 R494 Q495 Y499	L493-G497 PolarHBondContact O-N 2.68Å; L493-G497 VanDerWaalsContact O-N 3.13Å; R494-G497 PolarHBondContact O-N 2.89Å; Q495-G497 PolarHBondContact O-N 2.81Å; G497-Y499 VanDerWaalsContact C-N 3.31Å; G497-Y499 WeakPolarHBondContact O-CD2 3.13Å; G497-Y499 PolarHBondContact O-N 3.26Å; G497-Y499 VanDerWaalsContact O-N 3.15Å
498	Y	82.3	Confident	80.9	Confident	60 Å²	60	46.6 Å²	46.6	24%	0.235	24%	0.241	C	C	.	.			trans	-88.6	61.4	178	-66.6	-76.9	0	0	0	111.6	L493 A496 S500 H501 A502	L493-Y498 PolarHBondContact O-N 3.01Å; A496-Y498 HydrophobicContact CB-CD2 3.74Å; A496-Y498 HydrophobicContact CB-CE2 4.11Å; Y498-S500 VanDerWaalsContact C-N 3.33Å; Y498-S500 PolarHBondContact O-N 3.39Å; Y498-H501 PolarHBondContact O-N 2.94Å; Y498-A502 PolarHBondContact O-N 3.48Å; Y498-A502 VanDerWaalsContact O-N 3.12Å
499	Y	82.6	Confident	80.8	Confident	95 Å²	95	47.8 Å²	47.8	37%	0.373	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-36.5	-174.3	-52.9	-69.1	0	0	0	113.7	R494 G497 H501 A502 L503 I518 D522	R494-Y499 HydrophobicContact CG-CD1 4.4Å; R494-Y499 HydrophobicContact CG-CE1 4.11Å; G497-Y499 VanDerWaalsContact C-N 3.31Å; G497-Y499 WeakPolarHBondContact O-CD2 3.13Å; G497-Y499 PolarHBondContact O-N 3.26Å; G497-Y499 VanDerWaalsContact O-N 3.15Å; Y499-H501 VanDerWaalsContact C-N 3.35Å; Y499-H501 PolarHBondContact O-N 3.22Å; Y499-A502 PolarHBondContact O-N 3.38Å; Y499-L503 WeakPolarHBondContact O-CG 3.3Å; Y499-L503 PolarHBondContact O-N 2.93Å; Y499-I518 HydrophobicContact CD1-CG2 4.34Å; Y499-D522 HydrophobicContact CD1-CB 4.34Å; Y499-D522 HydrophobicContact CE1-CB 4.13Å
500	S	81.5	Confident	80.9	Confident	81 Å²	81	50.3 Å²	50.3	57%	0.566	27%	0.265	S	S	*	.	H	α-helix	trans	-62.7	-39.3	178.7	54.3	0	0	0	0	113.1	Y498 Y504	Y498-S500 VanDerWaalsContact C-N 3.33Å; Y498-S500 PolarHBondContact O-N 3.39Å; S500-Y504 PolarHBondContact O-N 3.22Å; S500-Y504 VanDerWaalsContact O-N 3.13Å
501	H	81.4	Confident	81	Confident	31 Å²	31	53.5 Å²	53.5	14%	0.144	28%	0.279	C	S	.	.	H	α-helix	trans	-75.5	-36.9	179	-64.4	77.7	0	0	0	111.1	I474 L493 Y498 Y499 Y504 L505	I474-H501 HydrophobicContact CD1-CB 4.01Å; L493-H501 HydrophobicContact CD1-CB 4.41Å; Y498-H501 PolarHBondContact O-N 2.94Å; Y499-H501 VanDerWaalsContact C-N 3.35Å; Y499-H501 PolarHBondContact O-N 3.22Å; H501-Y504 PolarHBondContact O-N 3.19Å; H501-L505 PolarHBondContact O-N 3.29Å
502	A	82.8	Confident	81.1	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-40.5	173.6	0	0	0	0	0	111.9	I490 L493 Y498 Y499 A506 I518	I490-A502 HydrophobicContact CG2-CB 4.44Å; L493-A502 HydrophobicContact CB-CB 3.94Å; Y498-A502 PolarHBondContact O-N 3.48Å; Y498-A502 VanDerWaalsContact O-N 3.12Å; Y499-A502 PolarHBondContact O-N 3.38Å; A502-A506 VanDerWaalsContact O-CB 3.29Å; A502-A506 WeakPolarHBondContact O-CB 3.38Å; A502-A506 PolarHBondContact O-N 2.83Å; A502-I518 HydrophobicContact CB-CD1 3.89Å
503	L	84.4	Confident	81.2	Confident	25 Å²	25	54.9 Å²	54.9	13%	0.131	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-45.7	174	-75.3	176.1	0	0	0	112	Y499 L505 A506 E507 Y515 I518 I523	Y499-L503 WeakPolarHBondContact O-CG 3.3Å; Y499-L503 PolarHBondContact O-N 2.93Å; L503-L505 PolarHBondContact O-N 3.32Å; L503-A506 PolarHBondContact O-N 2.89Å; L503-E507 WeakPolarHBondContact O-CB 3.37Å; L503-E507 PolarHBondContact O-N 2.97Å; L503-Y515 HydrophobicContact CB-CD2 4.41Å; L503-Y515 HydrophobicContact CB-CE2 4.23Å; L503-Y515 HydrophobicContact CD2-CD2 3.67Å; L503-Y515 HydrophobicContact CD2-CE2 3.77Å; L503-Y515 HydrophobicContact CD2-CG 4.13Å; L503-I518 HydrophobicContact CD2-CB 4.07Å; L503-I518 HydrophobicContact CD2-CG2 3.85Å; L503-I518 HydrophobicContact CG-CG2 4.1Å; L503-I523 HydrophobicContact CD1-CD1 3.46Å; L503-I523 VanDerWaalsContact CD1-CD1 3.46Å; L503-I523 HydrophobicContact CG-CD1 4.18Å
504	Y	82.1	Confident	81.4	Confident	77 Å²	77	56.9 Å²	56.9	30%	0.302	29%	0.293	S	S	.	.	H	α-helix	trans	-59.3	-44.8	178.1	178.3	-95.7	0	0	0	112.1	I474 K475 S500 H501 N508	I474-Y504 HydrophobicContact CG2-CD1 3.43Å; I474-Y504 VanDerWaalsContact CG2-CD1 3.43Å; I474-Y504 HydrophobicContact CG2-CE1 3.68Å; K475-Y504 HydrophobicContact CG-CE1 4.4Å; S500-Y504 PolarHBondContact O-N 3.22Å; S500-Y504 VanDerWaalsContact O-N 3.13Å; H501-Y504 PolarHBondContact O-N 3.19Å; Y504-N508 WeakPolarHBondContact CE1-ND2 3.23Å; Y504-N508 WeakPolarHBondContact O-CB 3.33Å; Y504-N508 PolarHBondContact O-N 3.39Å; Y504-N508 PolarHBondContact OH-ND2 2.92Å
505	L	79.5	Confident	81.5	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-42.3	175.5	-78.3	169.1	0	0	0	112.3	I474 F484 I490 L493 H501 L503 E507 H509	I474-L505 HydrophobicContact CD1-CD1 4.1Å; I474-L505 HydrophobicContact CG1-CD1 4.3Å; I474-L505 HydrophobicContact CG2-CD1 4.44Å; I474-L505 HydrophobicContact CG2-CD2 4.02Å; I474-L505 HydrophobicContact CG2-CG 3.95Å; F484-L505 HydrophobicContact CZ-CD2 4.02Å; I490-L505 HydrophobicContact CG1-CB 4.32Å; L493-L505 HydrophobicContact CD1-CD1 3.36Å; H501-L505 PolarHBondContact O-N 3.29Å; L503-L505 PolarHBondContact O-N 3.32Å; L505-E507 VanDerWaalsContact C-N 3.33Å; L505-E507 PolarHBondContact O-N 3.33Å; L505-H509 WeakPolarHBondContact O-CB 3.48Å; L505-H509 PolarHBondContact O-CD2 3.37Å; L505-H509 PolarHBondContact O-N 3.33Å; L505-H509 VanDerWaalsContact O-N 3.1Å
506	A	83.6	Confident	81.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-37.5	179.1	0	0	0	0	0	112.3	I490 A502 L503 A510 H511 Y515	I490-A506 HydrophobicContact CD1-CB 3.9Å; A502-A506 VanDerWaalsContact O-CB 3.29Å; A502-A506 WeakPolarHBondContact O-CB 3.38Å; A502-A506 PolarHBondContact O-N 2.83Å; L503-A506 PolarHBondContact O-N 2.89Å; A506-A510 PolarHBondContact O-N 2.93Å; A506-H511 PolarHBondContact O-N 2.83Å; A506-Y515 HydrophobicContact CB-CD2 4.37Å
507	E	82.3	Confident	82	Confident	84 Å²	84	48.5 Å²	48.5	39%	0.393	25%	0.246	S	C	.	.	H	α-helix	trans	-69.7	-48.6	177.4	-178.5	164.4	-155.7	0	0	112	L503 L505 H509 A510 Y515 Y532	L503-E507 WeakPolarHBondContact O-CB 3.37Å; L503-E507 PolarHBondContact O-N 2.97Å; L505-E507 VanDerWaalsContact C-N 3.33Å; L505-E507 PolarHBondContact O-N 3.33Å; E507-H509 PolarHBondContact O-N 2.94Å; E507-A510 PolarHBondContact O-N 3.43Å; E507-Y515 HydrophobicContact CB-CD2 4.08Å; E507-Y515 HydrophobicContact CB-CE2 4.07Å; E507-Y532 HydrophobicContact CB-CE2 4.48Å; E507-Y532 HydrophobicContact CG-CE2 3.97Å
508	N	79.8	Confident	82.3	Confident	84 Å²	84	46.8 Å²	46.8	45%	0.449	23%	0.228	S	C	.	.	H	α-helix	trans	-67.1	-35.7	-177.7	-76.2	-5.6	0	0	0	113.7	Y504 A510	Y504-N508 WeakPolarHBondContact CE1-ND2 3.23Å; Y504-N508 WeakPolarHBondContact O-CB 3.33Å; Y504-N508 PolarHBondContact O-N 3.39Å; Y504-N508 PolarHBondContact OH-ND2 2.92Å; N508-A510 VanDerWaalsContact C-N 3.35Å
509	H	74.8	Confident	82.5	Confident	69 Å²	69	44.4 Å²	44.4	32%	0.319	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	13.1	-178.8	-70	-79.9	0	0	0	113.5	V486 L505 E507 H511	V486-H509 HydrophobicContact CG1-CB 3.85Å; V486-H509 HydrophobicContact CG2-CB 4.42Å; L505-H509 WeakPolarHBondContact O-CB 3.48Å; L505-H509 PolarHBondContact O-CD2 3.37Å; L505-H509 PolarHBondContact O-N 3.33Å; L505-H509 VanDerWaalsContact O-N 3.1Å; E507-H509 PolarHBondContact O-N 2.94Å; H509-H511 PolarHBondContact O-N 2.95Å; H509-H511 VanDerWaalsContact O-N 3.16Å
510	A	78.3	Confident	82.5	Confident	55 Å²	55	40.3 Å²	40.3	46%	0.455	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	27.7	178.4	0	0	0	0	0	114.7	A506 E507 N508 H512	A506-A510 PolarHBondContact O-N 2.93Å; E507-A510 PolarHBondContact O-N 3.43Å; N508-A510 VanDerWaalsContact C-N 3.35Å; A510-H512 VanDerWaalsContact CA-CE1 3.44Å; A510-H512 WeakPolarHBondContact CA-CE1 3.33Å; A510-H512 WeakPolarHBondContact CB-NE2 3.46Å; A510-H512 PolarHBondContact O-CD2 3.37Å; A510-H512 PolarHBondContact O-N 2.98Å; A510-H512 PolarHBondContact O-NE2 2.94Å
511	H	81.4	Confident	82.7	Confident	66 Å²	66	41 Å²	41	31%	0.306	20%	0.198	S	C	.	.			trans	-85.6	67	172.9	-76.6	-68	0	0	0	110.9	I490 A506 H509 E513 W514 Y515	I490-H511 HydrophobicContact CD1-CB 4.16Å; A506-H511 PolarHBondContact O-N 2.83Å; H509-H511 PolarHBondContact O-N 2.95Å; H509-H511 VanDerWaalsContact O-N 3.16Å; H511-E513 VanDerWaalsContact C-N 3.28Å; H511-E513 PolarHBondContact O-N 3.19Å; H511-W514 PolarHBondContact O-N 3.17Å; H511-Y515 PolarHBondContact O-N 2.94Å; H511-Y515 VanDerWaalsContact O-N 3.17Å
512	H	84.2	Confident	82.8	Confident	22 Å²	22	42.4 Å²	42.4	10%	0.102	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-33.4	-172.5	-50.8	-55.5	0	0	0	113.6	A510 W514 Y515 L516 Y532 L536 Q540	A510-H512 VanDerWaalsContact CA-CE1 3.44Å; A510-H512 WeakPolarHBondContact CA-CE1 3.33Å; A510-H512 WeakPolarHBondContact CB-NE2 3.46Å; A510-H512 PolarHBondContact O-CD2 3.37Å; A510-H512 PolarHBondContact O-N 2.98Å; A510-H512 PolarHBondContact O-NE2 2.94Å; H512-W514 PolarHBondContact O-N 2.88Å; H512-Y515 PolarHBondContact O-N 3.41Å; H512-L516 WeakPolarHBondContact O-CB 3.48Å; H512-L516 WeakPolarHBondContact O-CG 3.43Å; H512-L516 PolarHBondContact O-N 3.1Å; H512-Y532 HydrophobicContact CB-CE1 4.2Å; H512-Y532 PolarHBondContact CE1-OH 3.4Å; H512-Y532 AromaticContact ND1-CE1 3.63Å; H512-Y532 AromaticContact ND1-CZ 3.59Å; H512-Y532 PolarHBondContact ND1-OH 3.32Å; H512-L536 HydrophobicContact CB-CD1 3.94Å; H512-L536 HydrophobicContact CB-CD2 4.47Å; H512-L536 WeakPolarHBondContact CE1-CD2 3.09Å; H512-L536 WeakPolarHBondContact ND1-CD2 3.29Å; H512-Q540 VanDerWaalsContact CD2-CD 3.4Å; H512-Q540 PolarHBondContact CD2-OE1 3.04Å; H512-Q540 PolarHBondContact NE2-OE1 3.14Å
513	E	83.6	Confident	82.8	Confident	100 Å²	100	45.8 Å²	45.8	47%	0.467	22%	0.224	S	C	.	.	H	α-helix	trans	-61	-44.6	177.5	-64	-159.4	175.3	0	0	112.2	H511 K517 R547	H511-E513 VanDerWaalsContact C-N 3.28Å; H511-E513 PolarHBondContact O-N 3.19Å; E513-K517 VanDerWaalsContact O-CB 3.23Å; E513-K517 WeakPolarHBondContact O-CB 3.43Å; E513-K517 PolarHBondContact O-N 3.47Å; E513-R547 VanDerWaalsContact CD-NH1 3.28Å; E513-R547 IonicContact OE1-NH1 2.84Å; E513-R547 PolarHBondContact OE1-NH1 3.21Å; E513-R547 IonicContact OE2-NH1 3.36Å; E513-R547 PolarHBondContact OE2-NH1 3.49Å
514	W	83.8	Confident	82.8	Confident	42 Å²	42	51 Å²	51	16%	0.159	25%	0.246	C	C	.	.	H	α-helix	trans	-72.1	-38.5	-179.8	-77.1	102.1	0	0	0	111.7	E487 I490 K491 H511 H512 K517 I518	E487-W514 HydrophobicContact CG-CZ2 4.08Å; I490-W514 HydrophobicContact CD1-CB 4.33Å; I490-W514 HydrophobicContact CG2-CB 4.07Å; I490-W514 HydrophobicContact CG2-CD2 4.28Å; I490-W514 HydrophobicContact CG2-CE3 4.18Å; I490-W514 HydrophobicContact CG2-CG 4.25Å; K491-W514 HydrophobicContact CD-CH2 4.2Å; K491-W514 HydrophobicContact CD-CZ2 4.34Å; K491-W514 VanDerWaalsContact CE-CH2 3.42Å; K491-W514 HydrophobicContact CG-CH2 3.73Å; K491-W514 HydrophobicContact CG-CZ2 4.15Å; K491-W514 HydrophobicContact CG-CZ3 4.14Å; H511-W514 PolarHBondContact O-N 3.17Å; H512-W514 PolarHBondContact O-N 2.88Å; W514-K517 HydrophobicContact CE3-CD 4.47Å; W514-K517 HydrophobicContact CZ3-CD 4.37Å; W514-K517 PolarHBondContact O-N 3.47Å; W514-I518 WeakPolarHBondContact O-CB 3.47Å; W514-I518 WeakPolarHBondContact O-CD1 3.47Å; W514-I518 VanDerWaalsContact O-CG1 3.23Å; W514-I518 WeakPolarHBondContact O-CG1 3.28Å; W514-I518 PolarHBondContact O-N 3.34Å
515	Y	85.9	Confident	82.9	Confident	18 Å²	18	50.2 Å²	50.2	7%	0.071	25%	0.247	C	C	.	.	H	α-helix	trans	-56.2	-53.5	173.2	-175.2	-83.8	0	0	0	110.8	L503 A506 E507 H511 H512 K517 I518 Q519 Y532	L503-Y515 HydrophobicContact CB-CD2 4.41Å; L503-Y515 HydrophobicContact CB-CE2 4.23Å; L503-Y515 HydrophobicContact CD2-CD2 3.67Å; L503-Y515 HydrophobicContact CD2-CE2 3.77Å; L503-Y515 HydrophobicContact CD2-CG 4.13Å; A506-Y515 HydrophobicContact CB-CD2 4.37Å; E507-Y515 HydrophobicContact CB-CD2 4.08Å; E507-Y515 HydrophobicContact CB-CE2 4.07Å; H511-Y515 PolarHBondContact O-N 2.94Å; H511-Y515 VanDerWaalsContact O-N 3.17Å; H512-Y515 PolarHBondContact O-N 3.41Å; Y515-K517 VanDerWaalsContact C-N 3.34Å; Y515-K517 PolarHBondContact O-N 3.24Å; Y515-I518 PolarHBondContact O-N 3.09Å; Y515-Q519 WeakPolarHBondContact O-CB 3.21Å; Y515-Q519 PolarHBondContact O-N 2.99Å; Y515-Y532 AromaticContact CD1-CD1 3.43Å; Y515-Y532 HydrophobicContact CD1-CD1 3.43Å; Y515-Y532 VanDerWaalsContact CD1-CD1 3.43Å; Y515-Y532 HydrophobicContact CD1-CD2 4.03Å; Y515-Y532 AromaticContact CD1-CE1 3.56Å; Y515-Y532 HydrophobicContact CD1-CE1 3.56Å; Y515-Y532 HydrophobicContact CD1-CE2 4.16Å; Y515-Y532 AromaticContact CD1-CG 3.67Å; Y515-Y532 HydrophobicContact CD1-CG 3.67Å; Y515-Y532 AromaticContact CD1-CZ 3.93Å; Y515-Y532 HydrophobicContact CD2-CE2 4.33Å; Y515-Y532 AromaticContact CE1-CD1 3.66Å; Y515-Y532 HydrophobicContact CE1-CD1 3.66Å; Y515-Y532 AromaticContact CE1-CD2 3.54Å; Y515-Y532 HydrophobicContact CE1-CD2 3.54Å; Y515-Y532 HydrophobicContact CE1-CE1 4.1Å; Y515-Y532 HydrophobicContact CE1-CE2 4.02Å; Y515-Y532 AromaticContact CE1-CG 3.34Å; Y515-Y532 HydrophobicContact CE1-CG 3.34Å; Y515-Y532 HydrophobicContact CE2-CD2 4.32Å; Y515-Y532 HydrophobicContact CE2-CE2 4.16Å; Y515-Y532 HydrophobicContact CG-CD1 4.22Å; Y515-Y532 AromaticContact CG-CE1 3.87Å; Y515-Y532 HydrophobicContact CG-CE1 3.87Å; Y515-Y532 HydrophobicContact CG-CE2 4.32Å; Y515-Y532 AromaticContact CG-CZ 3.92Å; Y515-Y532 AromaticContact CZ-CD2 3.69Å
516	L	84.4	Confident	83.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.4	-37.8	-179.4	-68.3	172.4	0	0	0	112	H512 Q519 L520 A529 Y532 I533 N544 Y548	H512-L516 WeakPolarHBondContact O-CB 3.48Å; H512-L516 WeakPolarHBondContact O-CG 3.43Å; H512-L516 PolarHBondContact O-N 3.1Å; L516-Q519 PolarHBondContact O-N 3.41Å; L516-L520 HydrophobicContact CB-CD1 4.33Å; L516-L520 WeakPolarHBondContact O-CB 3.24Å; L516-L520 WeakPolarHBondContact O-CG 3.04Å; L516-L520 PolarHBondContact O-N 2.86Å; L516-A529 HydrophobicContact CD2-CB 4.02Å; L516-Y532 HydrophobicContact CD2-CD1 4.09Å; L516-Y532 HydrophobicContact CG-CD1 4.4Å; L516-I533 HydrophobicContact CD1-CD1 4.1Å; L516-I533 HydrophobicContact CD1-CG1 3.8Å; L516-I533 HydrophobicContact CD2-CD1 4.04Å; L516-I533 HydrophobicContact CD2-CG1 3.74Å; L516-I533 HydrophobicContact CG-CG1 4.43Å; L516-N544 HydrophobicContact CD1-CB 3.72Å; L516-N544 VanDerWaalsContact CD1-CG 3.42Å; L516-N544 WeakPolarHBondContact CD1-OD1 3.4Å; L516-Y548 HydrophobicContact CB-CD2 4.27Å; L516-Y548 HydrophobicContact CB-CE2 3.89Å; L516-Y548 HydrophobicContact CD1-CD2 4.07Å; L516-Y548 HydrophobicContact CD1-CE2 4.12Å
517	K	85.1	Confident	83.3	Confident	68 Å²	68	57.9 Å²	57.9	30%	0.296	28%	0.28	S	S	.	.	H	α-helix	trans	-62	-46.5	176.2	-168.1	174.3	-173.1	178.2	0	112	E513 W514 Y515 Q519 E521	E513-K517 VanDerWaalsContact O-CB 3.23Å; E513-K517 WeakPolarHBondContact O-CB 3.43Å; E513-K517 PolarHBondContact O-N 3.47Å; W514-K517 HydrophobicContact CE3-CD 4.47Å; W514-K517 HydrophobicContact CZ3-CD 4.37Å; W514-K517 PolarHBondContact O-N 3.47Å; Y515-K517 VanDerWaalsContact C-N 3.34Å; Y515-K517 PolarHBondContact O-N 3.24Å; K517-Q519 VanDerWaalsContact C-N 3.35Å; K517-E521 VanDerWaalsContact CE-OE1 3.25Å; K517-E521 WeakPolarHBondContact CE-OE1 3.49Å; K517-E521 WeakPolarHBondContact CE-OE2 3.18Å; K517-E521 VanDerWaalsContact CG-CD 3.41Å; K517-E521 HydrophobicContact CG-CG 4.2Å; K517-E521 WeakPolarHBondContact CG-OE2 3.36Å; K517-E521 VanDerWaalsContact O-CB 3.24Å; K517-E521 WeakPolarHBondContact O-CB 3.22Å; K517-E521 WeakPolarHBondContact O-CG 3.25Å; K517-E521 PolarHBondContact O-N 3.22Å
518	I	85	Confident	83.3	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.275	C	S	.	.	I	π-helix	trans	-64.2	-42.8	176.9	-65.9	164.5	0	0	0	110.1	I490 Y499 A502 L503 W514 Y515 D522 I523	I490-I518 HydrophobicContact CG2-CD1 3.86Å; Y499-I518 HydrophobicContact CD1-CG2 4.34Å; A502-I518 HydrophobicContact CB-CD1 3.89Å; L503-I518 HydrophobicContact CD2-CB 4.07Å; L503-I518 HydrophobicContact CD2-CG2 3.85Å; L503-I518 HydrophobicContact CG-CG2 4.1Å; W514-I518 WeakPolarHBondContact O-CB 3.47Å; W514-I518 WeakPolarHBondContact O-CD1 3.47Å; W514-I518 VanDerWaalsContact O-CG1 3.23Å; W514-I518 WeakPolarHBondContact O-CG1 3.28Å; W514-I518 PolarHBondContact O-N 3.34Å; Y515-I518 PolarHBondContact O-N 3.09Å; I518-D522 WeakPolarHBondContact O-CB 3.19Å; I518-D522 PolarHBondContact O-N 2.83Å; I518-D522 VanDerWaalsContact O-N 3.16Å; I518-I523 HydrophobicContact CG2-CD1 3.85Å; I518-I523 HydrophobicContact CG2-CG1 4.33Å; I518-I523 PolarHBondContact O-N 3.36Å
519	Q	85.6	Confident	83.6	Confident	10 Å²	10	52.7 Å²	52.7	5%	0.047	25%	0.254	C	S	.	.	I	π-helix	trans	-69.1	-37.4	-177.6	-159.7	71.4	-0.7	0	0	113.2	Y515 L516 K517 K524 N525 A529	Y515-Q519 WeakPolarHBondContact O-CB 3.21Å; Y515-Q519 PolarHBondContact O-N 2.99Å; L516-Q519 PolarHBondContact O-N 3.41Å; K517-Q519 VanDerWaalsContact C-N 3.35Å; Q519-K524 CarbonylContact O-C 3.53Å; Q519-K524 WeakPolarHBondContact O-CA 3.23Å; Q519-K524 PolarHBondContact O-N 2.98Å; Q519-N525 HydrophobicContact CG-CB 4.39Å; Q519-N525 WeakPolarHBondContact CG-O 3.47Å; Q519-N525 PolarHBondContact O-N 2.72Å; Q519-A529 HydrophobicContact CB-CB 4.3Å; Q519-A529 HydrophobicContact CG-CB 3.92Å
520	L	83.9	Confident	84.1	Confident	10 Å²	10	50 Å²	50	5%	0.052	24%	0.241	C	C	.	.	I	π-helix	trans	-88.2	-39.3	-176.4	-66.1	170.8	0	0	0	113.2	L516 Y526 A529 Y548 L552	L516-L520 HydrophobicContact CB-CD1 4.33Å; L516-L520 WeakPolarHBondContact O-CB 3.24Å; L516-L520 WeakPolarHBondContact O-CG 3.04Å; L516-L520 PolarHBondContact O-N 2.86Å; L520-Y526 HydrophobicContact CD2-CD1 3.56Å; L520-Y526 HydrophobicContact CD2-CE1 4.11Å; L520-A529 HydrophobicContact CD2-CB 3.64Å; L520-A529 HydrophobicContact CG-CB 4.03Å; L520-Y548 HydrophobicContact CD1-CD1 3.45Å; L520-Y548 VanDerWaalsContact CD1-CD1 3.45Å; L520-Y548 HydrophobicContact CD1-CD2 4.16Å; L520-Y548 HydrophobicContact CD1-CE1 4Å; L520-Y548 HydrophobicContact CD1-CG 3.54Å; L520-L552 HydrophobicContact CD2-CD2 4.02Å
521	E	84.2	Confident	84.4	Confident	96 Å²	96	53.6 Å²	53.6	45%	0.449	24%	0.243	S	C	.	.	I	π-helix	trans	-89.2	-49.1	-176.8	-62.1	177.3	172.4	0	0	112.7	R494 K517	R494-E521 IonicContact CZ-OE2 2.73Å; R494-E521 IonicContact NH1-OE2 2.79Å; R494-E521 IonicContact NH2-OE2 3.54Å; R494-E521 PolarHBondContact NH2-OE2 3.33Å; K517-E521 VanDerWaalsContact CE-OE1 3.25Å; K517-E521 WeakPolarHBondContact CE-OE1 3.49Å; K517-E521 WeakPolarHBondContact CE-OE2 3.18Å; K517-E521 VanDerWaalsContact CG-CD 3.41Å; K517-E521 HydrophobicContact CG-CG 4.2Å; K517-E521 WeakPolarHBondContact CG-OE2 3.36Å; K517-E521 VanDerWaalsContact O-CB 3.24Å; K517-E521 WeakPolarHBondContact O-CB 3.22Å; K517-E521 WeakPolarHBondContact O-CG 3.25Å; K517-E521 PolarHBondContact O-N 3.22Å
522	D	83.4	Confident	84.5	Confident	59 Å²	59	51 Å²	51	32%	0.316	23%	0.231	S	C	.	.	I	π-helix	trans	-90.2	-50.9	-171.4	-54.4	-43.1	0	0	0	111.7	R494 Y499 I518	R494-D522 IonicContact CZ-OD1 2.75Å; R494-D522 IonicContact CZ-OD2 3.59Å; R494-D522 IonicContact NE-OD1 3.71Å; R494-D522 PolarHBondContact NE-OD1 3.4Å; R494-D522 IonicContact NE-OD2 3.28Å; R494-D522 PolarHBondContact NE-OD2 2.68Å; R494-D522 VanDerWaalsContact NH2-CG 3.29Å; R494-D522 IonicContact NH2-OD1 2.62Å; R494-D522 PolarHBondContact NH2-OD1 2.9Å; R494-D522 IonicContact NH2-OD2 3.63Å; R494-D522 PolarHBondContact NH2-OD2 3.1Å; R494-D522 VanDerWaalsContact NH2-OD2 3.1Å; Y499-D522 HydrophobicContact CD1-CB 4.34Å; Y499-D522 HydrophobicContact CE1-CB 4.13Å; I518-D522 WeakPolarHBondContact O-CB 3.19Å; I518-D522 PolarHBondContact O-N 2.83Å; I518-D522 VanDerWaalsContact O-N 3.16Å
523	I	83	Confident	84.5	Confident	71 Å²	71	49.9 Å²	49.9	36%	0.364	23%	0.226	S	C	.	.	S	Bend	trans	-86.9	-26.1	-174.9	-60.4	171.6	0	0	0	111.8	L503 I518 N525	L503-I523 HydrophobicContact CD1-CD1 3.46Å; L503-I523 VanDerWaalsContact CD1-CD1 3.46Å; L503-I523 HydrophobicContact CG-CD1 4.18Å; I518-I523 HydrophobicContact CG2-CD1 3.85Å; I518-I523 HydrophobicContact CG2-CG1 4.33Å; I518-I523 PolarHBondContact O-N 3.36Å; I523-N525 HydrophobicContact CG2-CB 3.95Å; I523-N525 PolarHBondContact O-N 2.93Å
524	K	84.1	Confident	84.5	Confident	135 Å²	135	45.4 Å²	45.4	59%	0.587	21%	0.207	S	C	*	.			trans	54.8	33.2	-178.2	-57.6	-177	-179.8	-179.3	0	114.6	Q519 Y526	Q519-K524 CarbonylContact O-C 3.53Å; Q519-K524 WeakPolarHBondContact O-CA 3.23Å; Q519-K524 PolarHBondContact O-N 2.98Å; K524-Y526 HydrophobicContact CB-CE2 4.18Å; K524-Y526 WeakPolarHBondContact O-CD2 3.43Å; K524-Y526 WeakPolarHBondContact O-CE2 3.49Å; K524-Y526 PolarHBondContact O-N 3.17Å
525	N	86.1	Confident	84.4	Confident	60 Å²	60	45.6 Å²	45.6	32%	0.321	21%	0.208	S	C	.	.			trans	-96.6	82	176.5	-175.7	-10.5	0	0	0	110.1	Q519 I523 Q527 E528 A529	Q519-N525 HydrophobicContact CG-CB 4.39Å; Q519-N525 WeakPolarHBondContact CG-O 3.47Å; Q519-N525 PolarHBondContact O-N 2.72Å; I523-N525 HydrophobicContact CG2-CB 3.95Å; I523-N525 PolarHBondContact O-N 2.93Å; N525-Q527 PolarHBondContact O-N 3.46Å; N525-E528 WeakPolarHBondContact ND2-CG 3.37Å; N525-E528 PolarHBondContact OD1-N 3.41Å; N525-A529 PolarHBondContact O-N 3.11Å; N525-A529 VanDerWaalsContact O-N 3.17Å
526	Y	85.2	Confident	84.3	Confident	51 Å²	51	45 Å²	45	20%	0.2	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-28.4	-176.8	-53.7	-72.9	0	0	0	113.5	L520 K524 L530 I551 H555	L520-Y526 HydrophobicContact CD2-CD1 3.56Å; L520-Y526 HydrophobicContact CD2-CE1 4.11Å; K524-Y526 HydrophobicContact CB-CE2 4.18Å; K524-Y526 WeakPolarHBondContact O-CD2 3.43Å; K524-Y526 WeakPolarHBondContact O-CE2 3.49Å; K524-Y526 PolarHBondContact O-N 3.17Å; Y526-L530 WeakPolarHBondContact O-CB 3.35Å; Y526-L530 PolarHBondContact O-N 3.19Å; Y526-I551 HydrophobicContact CE1-CG2 4.18Å; Y526-H555 HydrophobicContact CD2-CB 4.4Å; Y526-H555 AromaticContact CE1-CD2 3.98Å; Y526-H555 HydrophobicContact CG-CB 4.4Å; Y526-H555 AromaticContact CZ-CD2 3.95Å
527	Q	84.8	Confident	84.2	Confident	115 Å²	115	48.5 Å²	48.5	54%	0.537	23%	0.229	S	C	.	.	H	α-helix	trans	-74.5	-45.8	-176.4	-158.6	171.9	11.4	0	0	111.6	N525 A529 L530 R531 I556	N525-Q527 PolarHBondContact O-N 3.46Å; Q527-A529 VanDerWaalsContact C-N 3.34Å; Q527-L530 PolarHBondContact O-N 3.25Å; Q527-R531 WeakPolarHBondContact O-CB 3.23Å; Q527-R531 PolarHBondContact O-N 2.75Å; Q527-I556 HydrophobicContact CB-CD1 4.26Å
528	E	83.1	Confident	83.9	Confident	60 Å²	60	46.9 Å²	46.9	28%	0.28	22%	0.222	S	C	.	.	H	α-helix	trans	-69.3	-32.7	173.3	-75.7	-59.4	123.8	0	0	112.2	N525 R531 Y532	N525-E528 WeakPolarHBondContact ND2-CG 3.37Å; N525-E528 PolarHBondContact OD1-N 3.41Å; E528-R531 PolarHBondContact O-N 3.28Å; E528-R531 IonicContact OE1-CZ 3.24Å; E528-R531 IonicContact OE1-NE 2.85Å; E528-R531 PolarHBondContact OE1-NE 2.84Å; E528-R531 IonicContact OE1-NH2 3.13Å; E528-R531 IonicContact OE2-CZ 2.71Å; E528-R531 IonicContact OE2-NE 3.87Å; E528-R531 PolarHBondContact OE2-NE 3.05Å; E528-R531 IonicContact OE2-NH2 3.84Å; E528-R531 PolarHBondContact OE2-NH2 3.16Å; E528-Y532 VanDerWaalsContact O-CB 3.28Å; E528-Y532 WeakPolarHBondContact O-CB 3.44Å; E528-Y532 PolarHBondContact O-N 3.03Å
529	A	85.9	Confident	83.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-45.3	173	0	0	0	0	0	111.7	L516 Q519 L520 N525 Q527 Y532 I533	L516-A529 HydrophobicContact CD2-CB 4.02Å; Q519-A529 HydrophobicContact CB-CB 4.3Å; Q519-A529 HydrophobicContact CG-CB 3.92Å; L520-A529 HydrophobicContact CD2-CB 3.64Å; L520-A529 HydrophobicContact CG-CB 4.03Å; N525-A529 PolarHBondContact O-N 3.11Å; N525-A529 VanDerWaalsContact O-N 3.17Å; Q527-A529 VanDerWaalsContact C-N 3.34Å; A529-Y532 PolarHBondContact O-N 3.28Å; A529-I533 WeakPolarHBondContact O-CG1 3.45Å; A529-I533 PolarHBondContact O-N 2.97Å
530	L	84.5	Confident	83.4	Confident	12 Å²	12	57.1 Å²	57.1	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-42.2	176.5	-170.8	72.7	0	0	0	111.7	Y526 Q527 Y532 I533 G534 M545 L552 Q559 L563	Y526-L530 WeakPolarHBondContact O-CB 3.35Å; Y526-L530 PolarHBondContact O-N 3.19Å; Q527-L530 PolarHBondContact O-N 3.25Å; L530-Y532 VanDerWaalsContact C-N 3.28Å; L530-Y532 PolarHBondContact O-N 2.98Å; L530-I533 PolarHBondContact O-N 3.34Å; L530-G534 PolarHBondContact O-N 3.22Å; L530-M545 HydrophobicContact CD1-SD 4.44Å; L530-L552 HydrophobicContact CB-CD2 4.49Å; L530-L552 HydrophobicContact CD1-CD1 3.95Å; L530-Q559 HydrophobicContact CD2-CB 3.49Å; L530-Q559 VanDerWaalsContact CD2-CB 3.49Å; L530-L563 HydrophobicContact CD1-CB 4.49Å; L530-L563 HydrophobicContact CD1-CD2 3.51Å; L530-L563 HydrophobicContact CG-CD2 4.11Å
531	R	84.9	Confident	83.4	Confident	130 Å²	130	56.7 Å²	56.7	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-61.4	-37.8	175	-167	-178	75.3	114.5	-3.5	111.8	Q527 E528 G534 K535	Q527-R531 WeakPolarHBondContact O-CB 3.23Å; Q527-R531 PolarHBondContact O-N 2.75Å; E528-R531 PolarHBondContact O-N 3.28Å; E528-R531 IonicContact OE1-CZ 3.24Å; E528-R531 IonicContact OE1-NE 2.85Å; E528-R531 PolarHBondContact OE1-NE 2.84Å; E528-R531 IonicContact OE1-NH2 3.13Å; E528-R531 IonicContact OE2-CZ 2.71Å; E528-R531 IonicContact OE2-NE 3.87Å; E528-R531 PolarHBondContact OE2-NE 3.05Å; E528-R531 IonicContact OE2-NH2 3.84Å; E528-R531 PolarHBondContact OE2-NH2 3.16Å; R531-G534 PolarHBondContact O-N 3.33Å; R531-K535 WeakPolarHBondContact O-CG 3.47Å; R531-K535 PolarHBondContact O-N 3.38Å
532	Y	84.4	Confident	83.3	Confident	11 Å²	11	53.7 Å²	53.7	4%	0.043	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-45.5	175.8	-172.5	-100	0	0	0	111.4	E507 H512 Y515 L516 E528 A529 L530 G534 K535 L536	E507-Y532 HydrophobicContact CB-CE2 4.48Å; E507-Y532 HydrophobicContact CG-CE2 3.97Å; H512-Y532 HydrophobicContact CB-CE1 4.2Å; H512-Y532 PolarHBondContact CE1-OH 3.4Å; H512-Y532 AromaticContact ND1-CE1 3.63Å; H512-Y532 AromaticContact ND1-CZ 3.59Å; H512-Y532 PolarHBondContact ND1-OH 3.32Å; Y515-Y532 AromaticContact CD1-CD1 3.43Å; Y515-Y532 HydrophobicContact CD1-CD1 3.43Å; Y515-Y532 VanDerWaalsContact CD1-CD1 3.43Å; Y515-Y532 HydrophobicContact CD1-CD2 4.03Å; Y515-Y532 AromaticContact CD1-CE1 3.56Å; Y515-Y532 HydrophobicContact CD1-CE1 3.56Å; Y515-Y532 HydrophobicContact CD1-CE2 4.16Å; Y515-Y532 AromaticContact CD1-CG 3.67Å; Y515-Y532 HydrophobicContact CD1-CG 3.67Å; Y515-Y532 AromaticContact CD1-CZ 3.93Å; Y515-Y532 HydrophobicContact CD2-CE2 4.33Å; Y515-Y532 AromaticContact CE1-CD1 3.66Å; Y515-Y532 HydrophobicContact CE1-CD1 3.66Å; Y515-Y532 AromaticContact CE1-CD2 3.54Å; Y515-Y532 HydrophobicContact CE1-CD2 3.54Å; Y515-Y532 HydrophobicContact CE1-CE1 4.1Å; Y515-Y532 HydrophobicContact CE1-CE2 4.02Å; Y515-Y532 AromaticContact CE1-CG 3.34Å; Y515-Y532 HydrophobicContact CE1-CG 3.34Å; Y515-Y532 HydrophobicContact CE2-CD2 4.32Å; Y515-Y532 HydrophobicContact CE2-CE2 4.16Å; Y515-Y532 HydrophobicContact CG-CD1 4.22Å; Y515-Y532 AromaticContact CG-CE1 3.87Å; Y515-Y532 HydrophobicContact CG-CE1 3.87Å; Y515-Y532 HydrophobicContact CG-CE2 4.32Å; Y515-Y532 AromaticContact CG-CZ 3.92Å; Y515-Y532 AromaticContact CZ-CD2 3.69Å; L516-Y532 HydrophobicContact CD2-CD1 4.09Å; L516-Y532 HydrophobicContact CG-CD1 4.4Å; E528-Y532 VanDerWaalsContact O-CB 3.28Å; E528-Y532 WeakPolarHBondContact O-CB 3.44Å; E528-Y532 PolarHBondContact O-N 3.03Å; A529-Y532 PolarHBondContact O-N 3.28Å; L530-Y532 VanDerWaalsContact C-N 3.28Å; L530-Y532 PolarHBondContact O-N 2.98Å; Y532-G534 VanDerWaalsContact C-N 3.29Å; Y532-G534 PolarHBondContact O-N 3.41Å; Y532-K535 WeakPolarHBondContact O-CB 3.33Å; Y532-K535 PolarHBondContact O-N 3.31Å; Y532-L536 HydrophobicContact CD1-CD1 4.34Å; Y532-L536 HydrophobicContact CD1-CD2 4.33Å; Y532-L536 HydrophobicContact CD1-CG 4.42Å; Y532-L536 HydrophobicContact CE1-CD1 4.21Å; Y532-L536 HydrophobicContact CE1-CD2 3.81Å; Y532-L536 HydrophobicContact CE1-CG 4.31Å; Y532-L536 WeakPolarHBondContact O-CG 3.36Å; Y532-L536 PolarHBondContact O-N 3.02Å
533	I	84.4	Confident	83.4	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.1	-43.4	175	-66	168.6	0	0	0	110.9	L516 A529 L530 K535 L536 A541 N544 M545 L552 L563 Y571	L516-I533 HydrophobicContact CD1-CD1 4.1Å; L516-I533 HydrophobicContact CD1-CG1 3.8Å; L516-I533 HydrophobicContact CD2-CD1 4.04Å; L516-I533 HydrophobicContact CD2-CG1 3.74Å; L516-I533 HydrophobicContact CG-CG1 4.43Å; A529-I533 WeakPolarHBondContact O-CG1 3.45Å; A529-I533 PolarHBondContact O-N 2.97Å; L530-I533 PolarHBondContact O-N 3.34Å; I533-K535 PolarHBondContact O-N 3.5Å; I533-K535 VanDerWaalsContact O-N 3.16Å; I533-L536 WeakPolarHBondContact O-CB 3.08Å; I533-L536 PolarHBondContact O-N 3.34Å; I533-L536 VanDerWaalsContact O-N 3.08Å; I533-A541 HydrophobicContact CG2-CB 4.18Å; I533-N544 HydrophobicContact CD1-CB 4.46Å; I533-N544 HydrophobicContact CG1-CB 4.38Å; I533-M545 HydrophobicContact CD1-SD 4.13Å; I533-M545 HydrophobicContact CG2-CG 3.83Å; I533-M545 HydrophobicContact CG2-SD 3.97Å; I533-L552 HydrophobicContact CD1-CD1 3.7Å; I533-L563 HydrophobicContact CB-CD2 4.36Å; I533-L563 HydrophobicContact CG2-CD2 3.98Å; I533-Y571 PolarHBondContact O-OH 2.82Å
534	G	82.1	Confident	83.4	Confident	6 Å²	6	51 Å²	51	6%	0.062	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-4.1	176.4	0	0	0	0	0	115.9	L530 R531 Y532 Y571 S574	L530-G534 PolarHBondContact O-N 3.22Å; R531-G534 PolarHBondContact O-N 3.33Å; Y532-G534 VanDerWaalsContact C-N 3.29Å; Y532-G534 PolarHBondContact O-N 3.41Å; G534-Y571 VanDerWaalsContact C-OH 3.24Å; G534-Y571 WeakPolarHBondContact CA-OH 3.41Å; G534-Y571 PolarHBondContact O-OH 2.86Å; G534-S574 PolarHBondContact O-N 3.48Å; G534-S574 VanDerWaalsContact O-N 3.14Å; G534-S574 PolarHBondContact O-OG 3.39Å
535	K	82.7	Confident	83.4	Confident	45 Å²	45	44.6 Å²	44.6	20%	0.196	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-18	170.4	-74.3	172.4	178.7	-176.7	0	112.7	R531 Y532 I533 L575	R531-K535 WeakPolarHBondContact O-CG 3.47Å; R531-K535 PolarHBondContact O-N 3.38Å; Y532-K535 WeakPolarHBondContact O-CB 3.33Å; Y532-K535 PolarHBondContact O-N 3.31Å; I533-K535 PolarHBondContact O-N 3.5Å; I533-K535 VanDerWaalsContact O-N 3.16Å; K535-L575 HydrophobicContact CB-CD1 3.89Å; K535-L575 HydrophobicContact CD-CD1 3.88Å; K535-L575 HydrophobicContact CG-CD1 3.82Å; K535-L575 HydrophobicContact CG-CG 4.47Å
536	L	82.6	Confident	83.3	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.031	22%	0.218	C	C	.	.	S	Bend	trans	-74.6	156.3	-174.3	-62.4	-179.3	0	0	0	111.7	H512 Y532 I533 Q540 A541 Y571	H512-L536 HydrophobicContact CB-CD1 3.94Å; H512-L536 HydrophobicContact CB-CD2 4.47Å; H512-L536 WeakPolarHBondContact CE1-CD2 3.09Å; H512-L536 WeakPolarHBondContact ND1-CD2 3.29Å; Y532-L536 HydrophobicContact CD1-CD1 4.34Å; Y532-L536 HydrophobicContact CD1-CD2 4.33Å; Y532-L536 HydrophobicContact CD1-CG 4.42Å; Y532-L536 HydrophobicContact CE1-CD1 4.21Å; Y532-L536 HydrophobicContact CE1-CD2 3.81Å; Y532-L536 HydrophobicContact CE1-CG 4.31Å; Y532-L536 WeakPolarHBondContact O-CG 3.36Å; Y532-L536 PolarHBondContact O-N 3.02Å; I533-L536 WeakPolarHBondContact O-CB 3.08Å; I533-L536 PolarHBondContact O-N 3.34Å; I533-L536 VanDerWaalsContact O-N 3.08Å; L536-Q540 HydrophobicContact CB-CB 4.25Å; L536-Q540 HydrophobicContact CD1-CB 4.34Å; L536-A541 HydrophobicContact CB-CB 4.32Å; L536-Y571 VanDerWaalsContact O-CE1 3.25Å; L536-Y571 WeakPolarHBondContact O-CE1 3.5Å; L536-Y571 PolarHBondContact O-OH 3.31Å
537	P	82.4	Confident	83.2	Confident	74 Å²	74	50 Å²	50	48%	0.481	24%	0.235	S	C	.	.			trans	-54.2	151.9	165.5	-23.3	33.3	0	0	0	112	E539 Q540 A541	P537-E539 PolarHBondContact O-N 3.29Å; P537-Q540 PolarHBondContact O-N 3.22Å; P537-Q540 VanDerWaalsContact O-N 3.12Å; P537-A541 PolarHBondContact O-N 3.03Å
538	F	79.1	Confident	83.2	Confident	33 Å²	33	45.3 Å²	45.3	15%	0.145	21%	0.213	C	C	.	.	H	α-helix	trans	-48.1	-52.3	-172.9	170.5	-93.8	0	0	0	114.1	Q540 A541 E542 Y571 C586 A588	F538-Q540 VanDerWaalsContact C-N 3.31Å; F538-Q540 PolarHBondContact O-N 3.38Å; F538-A541 PolarHBondContact O-N 3.48Å; F538-E542 WeakPolarHBondContact O-CB 3.34Å; F538-E542 PolarHBondContact O-N 3.21Å; F538-Y571 HydrophobicContact CB-CD1 4.13Å; F538-Y571 HydrophobicContact CD2-CD1 4.25Å; F538-C586 HydrophobicContact CB-CB 4.2Å; F538-C586 HydrophobicContact CD1-CB 3.36Å; F538-C586 HydrophobicContact CD2-CB 3.9Å; F538-C586 WeakPolarHBondContact CD2-O 3.49Å; F538-C586 HydrophobicContact CE1-CB 3.62Å; F538-C586 HydrophobicContact CE2-CB 4.1Å; F538-C586 WeakPolarHBondContact CE2-O 3.34Å; F538-C586 HydrophobicContact CG-CB 3.52Å; F538-C586 HydrophobicContact CZ-CB 3.98Å; F538-A588 HydrophobicContact CE2-CB 3.8Å; F538-A588 HydrophobicContact CZ-CB 3.65Å
539	E	78.6	Confident	83.2	Confident	157 Å²	157	42.5 Å²	42.5	73%	0.734	20%	0.199	S	C	*	.	H	α-helix	trans	-60.8	-39.6	-176.9	-63.6	-178	169.8	0	0	112.7	P537 S543	P537-E539 PolarHBondContact O-N 3.29Å; E539-S543 WeakPolarHBondContact O-CB 3.29Å; E539-S543 PolarHBondContact O-N 2.87Å
540	Q	82.1	Confident	83.1	Confident	69 Å²	69	48.7 Å²	48.7	32%	0.322	23%	0.226	S	C	.	.	H	α-helix	trans	-76.9	-37	-179.1	-63.8	177.5	-2.7	0	0	111.3	H512 L536 P537 F538 N544	H512-Q540 VanDerWaalsContact CD2-CD 3.4Å; H512-Q540 PolarHBondContact CD2-OE1 3.04Å; H512-Q540 PolarHBondContact NE2-OE1 3.14Å; L536-Q540 HydrophobicContact CB-CB 4.25Å; L536-Q540 HydrophobicContact CD1-CB 4.34Å; P537-Q540 PolarHBondContact O-N 3.22Å; P537-Q540 VanDerWaalsContact O-N 3.12Å; F538-Q540 VanDerWaalsContact C-N 3.31Å; F538-Q540 PolarHBondContact O-N 3.38Å; Q540-N544 VanDerWaalsContact O-CB 3.29Å; Q540-N544 WeakPolarHBondContact O-CB 3.36Å; Q540-N544 PolarHBondContact O-N 2.91Å; Q540-N544 PolarHBondContact O-ND2 3.41Å
541	A	83.7	Confident	83.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-44.4	173.8	0	0	0	0	0	110.8	I533 L536 P537 F538 M545 L567 Y571	I533-A541 HydrophobicContact CG2-CB 4.18Å; L536-A541 HydrophobicContact CB-CB 4.32Å; P537-A541 PolarHBondContact O-N 3.03Å; F538-A541 PolarHBondContact O-N 3.48Å; A541-M545 VanDerWaalsContact O-CB 3.3Å; A541-M545 WeakPolarHBondContact O-CB 3.47Å; A541-M545 VanDerWaalsContact O-CG 3.27Å; A541-M545 WeakPolarHBondContact O-CG 3.38Å; A541-M545 PolarHBondContact O-N 3.37Å; A541-L567 HydrophobicContact CB-CD2 3.79Å; A541-Y571 HydrophobicContact CB-CE1 4.28Å
542	E	83.1	Confident	83.1	Confident	33 Å²	33	45.6 Å²	45.6	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-53.3	175	170.1	172.5	-155.6	0	0	112	F538 N544 M545 K546 A588 F593	F538-E542 WeakPolarHBondContact O-CB 3.34Å; F538-E542 PolarHBondContact O-N 3.21Å; E542-N544 PolarHBondContact O-N 3.04Å; E542-M545 PolarHBondContact O-N 2.78Å; E542-K546 HydrophobicContact CG-CD 4.38Å; E542-K546 WeakPolarHBondContact O-CG 3.29Å; E542-K546 PolarHBondContact O-N 3.43Å; E542-K546 WeakPolarHBondContact OE1-CE 3.44Å; E542-K546 IonicContact OE1-NZ 3.81Å; E542-K546 PolarHBondContact OE1-NZ 2.79Å; E542-A588 HydrophobicContact CG-CB 4.31Å; E542-F593 HydrophobicContact CG-CZ 3.98Å
543	S	84.1	Confident	83.1	Confident	66 Å²	66	45.1 Å²	45.1	46%	0.462	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-44.4	-178.9	-178.6	0	0	0	0	112.2	E539 M545 K546 R547	E539-S543 WeakPolarHBondContact O-CB 3.29Å; E539-S543 PolarHBondContact O-N 2.87Å; S543-M545 PolarHBondContact O-N 3.35Å; S543-K546 PolarHBondContact O-N 2.84Å; S543-R547 PolarHBondContact O-N 2.88Å
544	N	83.9	Confident	83	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.043	25%	0.248	C	C	.	.	H	α-helix	trans	-67.8	-35.3	178.2	-75.7	-57	0	0	0	112.4	L516 I533 Q540 E542 R547 Y548	L516-N544 HydrophobicContact CD1-CB 3.72Å; L516-N544 VanDerWaalsContact CD1-CG 3.42Å; L516-N544 WeakPolarHBondContact CD1-OD1 3.4Å; I533-N544 HydrophobicContact CD1-CB 4.46Å; I533-N544 HydrophobicContact CG1-CB 4.38Å; Q540-N544 VanDerWaalsContact O-CB 3.29Å; Q540-N544 WeakPolarHBondContact O-CB 3.36Å; Q540-N544 PolarHBondContact O-N 2.91Å; Q540-N544 PolarHBondContact O-ND2 3.41Å; E542-N544 PolarHBondContact O-N 3.04Å; N544-R547 PolarHBondContact O-N 3.38Å; N544-Y548 PolarHBondContact O-N 3.44Å
545	M	84.5	Confident	83.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.8	-36.3	173.8	-79.4	-52.9	-63.9	0	0	112.5	L530 I533 A541 E542 S543 R547 G549 L552 T560 L563 L564 L567 F593 I596	L530-M545 HydrophobicContact CD1-SD 4.44Å; I533-M545 HydrophobicContact CD1-SD 4.13Å; I533-M545 HydrophobicContact CG2-CG 3.83Å; I533-M545 HydrophobicContact CG2-SD 3.97Å; A541-M545 VanDerWaalsContact O-CB 3.3Å; A541-M545 WeakPolarHBondContact O-CB 3.47Å; A541-M545 VanDerWaalsContact O-CG 3.27Å; A541-M545 WeakPolarHBondContact O-CG 3.38Å; A541-M545 PolarHBondContact O-N 3.37Å; E542-M545 PolarHBondContact O-N 2.78Å; S543-M545 PolarHBondContact O-N 3.35Å; M545-R547 VanDerWaalsContact C-N 3.3Å; M545-R547 PolarHBondContact O-N 3.22Å; M545-G549 WeakPolarHBondContact O-CA 3.5Å; M545-G549 PolarHBondContact O-N 2.97Å; M545-L552 HydrophobicContact SD-CD1 4.16Å; M545-T560 HydrophobicContact CE-CG2 3.56Å; M545-L563 HydrophobicContact SD-CD2 3.99Å; M545-L564 HydrophobicContact CB-CD2 4.43Å; M545-L564 HydrophobicContact CE-CD1 4.28Å; M545-L564 HydrophobicContact CE-CD2 3.71Å; M545-L564 HydrophobicContact CE-CG 3.86Å; M545-L567 HydrophobicContact CB-CD1 4.33Å; M545-L567 HydrophobicContact CG-CD1 3.63Å; M545-F593 HydrophobicContact CB-CE1 4.04Å; M545-I596 WeakPolarHBondContact O-CD1 3.45Å
546	K	83.9	Confident	83.2	Confident	79 Å²	79	55.6 Å²	55.6	34%	0.343	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-38.2	173	-70.2	174.6	-172.5	172.6	0	112	E542 S543 E592 F593	E542-K546 HydrophobicContact CG-CD 4.38Å; E542-K546 WeakPolarHBondContact O-CG 3.29Å; E542-K546 PolarHBondContact O-N 3.43Å; E542-K546 WeakPolarHBondContact OE1-CE 3.44Å; E542-K546 IonicContact OE1-NZ 3.81Å; E542-K546 PolarHBondContact OE1-NZ 2.79Å; S543-K546 PolarHBondContact O-N 2.84Å; K546-E592 WeakPolarHBondContact CE-OE2 3.25Å; K546-E592 IonicContact NZ-OE2 3.65Å; K546-E592 PolarHBondContact NZ-OE2 2.83Å; K546-F593 HydrophobicContact CG-CD1 4.35Å; K546-F593 HydrophobicContact CG-CE1 3.79Å
547	R	83.1	Confident	83.2	Confident	145 Å²	145	57.3 Å²	57.3	55%	0.547	28%	0.277	S	S	.	.	H	α-helix	trans	-81.8	-47	-176.1	-165.8	172.8	-175.5	178.8	-1.2	113.8	E513 S543 N544 M545	E513-R547 VanDerWaalsContact CD-NH1 3.28Å; E513-R547 IonicContact OE1-NH1 2.84Å; E513-R547 PolarHBondContact OE1-NH1 3.21Å; E513-R547 IonicContact OE2-NH1 3.36Å; E513-R547 PolarHBondContact OE2-NH1 3.49Å; S543-R547 PolarHBondContact O-N 2.88Å; N544-R547 PolarHBondContact O-N 3.38Å; M545-R547 VanDerWaalsContact C-N 3.3Å; M545-R547 PolarHBondContact O-N 3.22Å
548	Y	84.3	Confident	83.2	Confident	18 Å²	18	60.1 Å²	60.1	7%	0.071	28%	0.283	C	S	.	.	H	α-helix	trans	-105.4	-9.3	-173.8	-60.4	-66.3	0	0	0	113.9	L516 L520 N544 K550 I551 L552	L516-Y548 HydrophobicContact CB-CD2 4.27Å; L516-Y548 HydrophobicContact CB-CE2 3.89Å; L516-Y548 HydrophobicContact CD1-CD2 4.07Å; L516-Y548 HydrophobicContact CD1-CE2 4.12Å; L520-Y548 HydrophobicContact CD1-CD1 3.45Å; L520-Y548 VanDerWaalsContact CD1-CD1 3.45Å; L520-Y548 HydrophobicContact CD1-CD2 4.16Å; L520-Y548 HydrophobicContact CD1-CE1 4Å; L520-Y548 HydrophobicContact CD1-CG 3.54Å; N544-Y548 PolarHBondContact O-N 3.44Å; Y548-K550 VanDerWaalsContact C-N 3.27Å; Y548-K550 PolarHBondContact O-N 3Å; Y548-I551 HydrophobicContact CD1-CD1 4.48Å; Y548-I551 PolarHBondContact O-N 3.47Å; Y548-L552 PolarHBondContact O-N 2.63Å
549	G	83.3	Confident	83.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-32.1	-175.3	0	0	0	0	0	113.9	M545 I551 L552 M553 I596	M545-G549 WeakPolarHBondContact O-CA 3.5Å; M545-G549 PolarHBondContact O-N 2.97Å; G549-I551 PolarHBondContact O-N 3.49Å; G549-L552 PolarHBondContact O-N 3.16Å; G549-M553 WeakPolarHBondContact O-CB 3.27Å; G549-M553 PolarHBondContact O-N 3.06Å; G549-I596 WeakPolarHBondContact O-CG2 3.42Å
550	K	83.4	Confident	83.8	Confident	131 Å²	131	54.7 Å²	54.7	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-63.8	-39.7	174.4	-68.5	-178.4	179.8	179	0	112.7	Y548 H554 I596	Y548-K550 VanDerWaalsContact C-N 3.27Å; Y548-K550 PolarHBondContact O-N 3Å; K550-H554 PolarHBondContact O-N 3.33Å; K550-H554 VanDerWaalsContact O-N 3.14Å; K550-I596 HydrophobicContact CG-CG1 4.48Å
551	I	84.3	Confident	83.9	Confident	76 Å²	76	51.5 Å²	51.5	39%	0.39	24%	0.244	S	C	.	.	H	α-helix	trans	-70.6	-44.4	178.7	-59.7	173.5	0	0	0	109.4	Y526 Y548 G549 H554 H555	Y526-I551 HydrophobicContact CE1-CG2 4.18Å; Y548-I551 HydrophobicContact CD1-CD1 4.48Å; Y548-I551 PolarHBondContact O-N 3.47Å; G549-I551 PolarHBondContact O-N 3.49Å; I551-H554 PolarHBondContact O-N 3.14Å; I551-H555 PolarHBondContact O-CD2 3.5Å; I551-H555 PolarHBondContact O-N 3.08Å
552	L	84.4	Confident	84	Confident	0 Å²	0	58 Å²	58	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-41.5	177.5	-67.5	168.8	0	0	0	111.8	L520 L530 I533 M545 Y548 G549 H554 H555 I556 T560	L520-L552 HydrophobicContact CD2-CD2 4.02Å; L530-L552 HydrophobicContact CB-CD2 4.49Å; L530-L552 HydrophobicContact CD1-CD1 3.95Å; I533-L552 HydrophobicContact CD1-CD1 3.7Å; M545-L552 HydrophobicContact SD-CD1 4.16Å; Y548-L552 PolarHBondContact O-N 2.63Å; G549-L552 PolarHBondContact O-N 3.16Å; L552-H554 VanDerWaalsContact C-N 3.27Å; L552-H554 PolarHBondContact O-N 3.41Å; L552-H555 PolarHBondContact O-N 3.06Å; L552-I556 CarbonylContact O-C 3.55Å; L552-I556 WeakPolarHBondContact O-CA 3.3Å; L552-I556 PolarHBondContact O-N 2.74Å; L552-T560 HydrophobicContact CB-CG2 4.13Å; L552-T560 PolarHBondContact O-OG1 2.86Å
553	M	84.4	Confident	84	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-66.5	-27.8	176.8	-172.8	59.7	68.5	0	0	112.7	G549 P557 T560 L564 I596 F597 N600	G549-M553 WeakPolarHBondContact O-CB 3.27Å; G549-M553 PolarHBondContact O-N 3.06Å; M553-P557 HydrophobicContact SD-CB 3.94Å; M553-T560 HydrophobicContact CB-CG2 4.36Å; M553-T560 HydrophobicContact CE-CG2 3.66Å; M553-L564 HydrophobicContact CE-CD1 3.85Å; M553-I596 HydrophobicContact CB-CG2 3.95Å; M553-I596 HydrophobicContact CE-CG2 4.32Å; M553-I596 HydrophobicContact CG-CG2 4.28Å; M553-F597 HydrophobicContact CE-CD1 3.63Å; M553-F597 HydrophobicContact CE-CE1 3.31Å; M553-F597 HydrophobicContact CE-CG 4.47Å; M553-F597 HydrophobicContact CE-CZ 3.92Å; M553-F597 HydrophobicContact SD-CD1 4.15Å; M553-F597 HydrophobicContact SD-CE1 4.26Å; M553-N600 WeakPolarHBondContact CG-ND2 3.37Å
554	H	84.1	Confident	83.9	Confident	142 Å²	142	54.7 Å²	54.7	66%	0.657	25%	0.252	S	S	*	.	H	α-helix	trans	-73.3	-39.9	174.3	-175	68.4	0	0	0	112.5	K550 I551 L552	K550-H554 PolarHBondContact O-N 3.33Å; K550-H554 VanDerWaalsContact O-N 3.14Å; I551-H554 PolarHBondContact O-N 3.14Å; L552-H554 VanDerWaalsContact C-N 3.27Å; L552-H554 PolarHBondContact O-N 3.41Å
555	H	82.9	Confident	83.9	Confident	96 Å²	96	56.8 Å²	56.8	44%	0.444	26%	0.261	S	S	.	.	H	α-helix	trans	-93.8	-34.6	-175.3	-72.5	-68.7	0	0	0	114.4	Y526 I551 L552	Y526-H555 HydrophobicContact CD2-CB 4.4Å; Y526-H555 AromaticContact CE1-CD2 3.98Å; Y526-H555 HydrophobicContact CG-CB 4.4Å; Y526-H555 AromaticContact CZ-CD2 3.95Å; I551-H555 PolarHBondContact O-CD2 3.5Å; I551-H555 PolarHBondContact O-N 3.08Å; L552-H555 PolarHBondContact O-N 3.06Å
556	I	85.7	Confident	83.7	Confident	33 Å²	33	58 Å²	58	17%	0.169	27%	0.273	C	S	.	.			trans	-138.4	70.8	-176.5	-46	-179.7	0	0	0	110	Q527 L552 Q559 T560	Q527-I556 HydrophobicContact CB-CD1 4.26Å; L552-I556 CarbonylContact O-C 3.55Å; L552-I556 WeakPolarHBondContact O-CA 3.3Å; L552-I556 PolarHBondContact O-N 2.74Å; I556-Q559 HydrophobicContact CG2-CB 3.64Å; I556-Q559 HydrophobicContact CG2-CG 3.71Å; I556-T560 VanDerWaalsContact O-CB 3.29Å; I556-T560 WeakPolarHBondContact O-CB 3.45Å; I556-T560 PolarHBondContact O-N 2.9Å; I556-T560 PolarHBondContact O-OG1 3.24Å
557	P	82.8	Confident	83.5	Confident	41 Å²	41	54.2 Å²	54.2	27%	0.266	26%	0.256	S	S	.	.	H	α-helix	trans	-62.4	-49.5	-173.2	21.8	-31.9	0	0	0	113.3	M553 Q559 T560 T561 E603	M553-P557 HydrophobicContact SD-CB 3.94Å; P557-Q559 PolarHBondContact O-N 3.14Å; P557-T560 PolarHBondContact O-N 3.42Å; P557-T561 PolarHBondContact O-N 3.26Å; P557-T561 PolarHBondContact O-OG1 3.14Å; P557-E603 HydrophobicContact CB-CG 4.48Å
558	E	82.6	Confident	83.1	Confident	134 Å²	134	47.3 Å²	47.3	63%	0.626	23%	0.23	S	C	*	.	H	α-helix	trans	-61.3	-47.7	-174.1	-64.8	179.3	178.4	0	0	113.3	T560 T561 Q562	E558-T560 VanDerWaalsContact C-N 3.31Å; E558-T560 PolarHBondContact O-N 3.3Å; E558-T561 PolarHBondContact O-N 2.8Å; E558-Q562 WeakPolarHBondContact O-CG 3.4Å; E558-Q562 PolarHBondContact O-N 3.24Å
559	Q	84	Confident	82.7	Confident	75 Å²	75	47.3 Å²	47.3	35%	0.35	23%	0.232	S	C	.	.	H	α-helix	trans	-69.8	-33	-179.9	-58.2	176	5	0	0	111.2	L530 I556 P557 Q562 L563	L530-Q559 HydrophobicContact CD2-CB 3.49Å; L530-Q559 VanDerWaalsContact CD2-CB 3.49Å; I556-Q559 HydrophobicContact CG2-CB 3.64Å; I556-Q559 HydrophobicContact CG2-CG 3.71Å; P557-Q559 PolarHBondContact O-N 3.14Å; Q559-Q562 PolarHBondContact O-N 2.92Å; Q559-L563 PolarHBondContact O-N 3.48Å
560	T	85.9	Confident	82	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.8	-42	175.7	-54	0	0	0	0	110.9	M545 L552 M553 I556 P557 E558 Q562 L563 L564	M545-T560 HydrophobicContact CE-CG2 3.56Å; L552-T560 HydrophobicContact CB-CG2 4.13Å; L552-T560 PolarHBondContact O-OG1 2.86Å; M553-T560 HydrophobicContact CB-CG2 4.36Å; M553-T560 HydrophobicContact CE-CG2 3.66Å; I556-T560 VanDerWaalsContact O-CB 3.29Å; I556-T560 WeakPolarHBondContact O-CB 3.45Å; I556-T560 PolarHBondContact O-N 2.9Å; I556-T560 PolarHBondContact O-OG1 3.24Å; P557-T560 PolarHBondContact O-N 3.42Å; E558-T560 VanDerWaalsContact C-N 3.31Å; E558-T560 PolarHBondContact O-N 3.3Å; T560-Q562 VanDerWaalsContact C-N 3.34Å; T560-Q562 PolarHBondContact O-N 3.23Å; T560-L563 PolarHBondContact O-N 3.06Å; T560-L564 HydrophobicContact CG2-CD1 4.29Å; T560-L564 WeakPolarHBondContact O-CG 3.44Å; T560-L564 PolarHBondContact O-N 3.31Å
561	T	84.3	Confident	81.4	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-60.8	-42.4	173.7	-54.1	0	0	0	0	111.4	P557 E558 L563 L564 K565 F597 E603	P557-T561 PolarHBondContact O-N 3.26Å; P557-T561 PolarHBondContact O-OG1 3.14Å; E558-T561 PolarHBondContact O-N 2.8Å; T561-L563 PolarHBondContact O-N 3.44Å; T561-L564 PolarHBondContact O-N 2.99Å; T561-K565 HydrophobicContact CG2-CD 4.37Å; T561-K565 HydrophobicContact CG2-CG 4.47Å; T561-K565 VanDerWaalsContact O-CG 3.31Å; T561-K565 WeakPolarHBondContact O-CG 3.08Å; T561-K565 PolarHBondContact O-N 3.29Å; T561-F597 HydrophobicContact CG2-CE1 4.14Å; T561-E603 VanDerWaalsContact CB-OE2 3.27Å; T561-E603 WeakPolarHBondContact CB-OE2 3.37Å; T561-E603 WeakPolarHBondContact CG2-OE2 3.39Å; T561-E603 PolarHBondContact OG1-OE2 3.48Å
562	Q	84.5	Confident	80.5	Confident	138 Å²	138	53.6 Å²	53.6	65%	0.645	26%	0.255	S	S	*	.	H	α-helix	trans	-61.8	-43.3	177.3	-72.7	174.5	7.2	0	0	112.3	E558 Q559 T560 K565 G566	E558-Q562 WeakPolarHBondContact O-CG 3.4Å; E558-Q562 PolarHBondContact O-N 3.24Å; Q559-Q562 PolarHBondContact O-N 2.92Å; T560-Q562 VanDerWaalsContact C-N 3.34Å; T560-Q562 PolarHBondContact O-N 3.23Å; Q562-K565 PolarHBondContact O-N 3.26Å; Q562-G566 PolarHBondContact O-N 3.04Å
563	L	82.7	Confident	79.7	Confident	29 Å²	29	55.3 Å²	55.3	15%	0.152	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-40.6	176.5	-174.6	63.1	0	0	0	111.8	L530 I533 M545 Q559 T560 T561 G566 L567 Y571	L530-L563 HydrophobicContact CD1-CB 4.49Å; L530-L563 HydrophobicContact CD1-CD2 3.51Å; L530-L563 HydrophobicContact CG-CD2 4.11Å; I533-L563 HydrophobicContact CB-CD2 4.36Å; I533-L563 HydrophobicContact CG2-CD2 3.98Å; M545-L563 HydrophobicContact SD-CD2 3.99Å; Q559-L563 PolarHBondContact O-N 3.48Å; T560-L563 PolarHBondContact O-N 3.06Å; T561-L563 PolarHBondContact O-N 3.44Å; L563-G566 PolarHBondContact O-N 2.89Å; L563-L567 HydrophobicContact CG-CD1 4.14Å; L563-L567 WeakPolarHBondContact O-CB 3.27Å; L563-L567 WeakPolarHBondContact O-CG 3.27Å; L563-L567 PolarHBondContact O-N 3.01Å; L563-Y571 HydrophobicContact CD1-CE2 4.14Å
564	L	83.4	Confident	78.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-39.4	176	-72.7	171.9	0	0	0	112.4	M545 M553 T560 T561 G566 L567 C568 F593 F597 F607	M545-L564 HydrophobicContact CB-CD2 4.43Å; M545-L564 HydrophobicContact CE-CD1 4.28Å; M545-L564 HydrophobicContact CE-CD2 3.71Å; M545-L564 HydrophobicContact CE-CG 3.86Å; M553-L564 HydrophobicContact CE-CD1 3.85Å; T560-L564 HydrophobicContact CG2-CD1 4.29Å; T560-L564 WeakPolarHBondContact O-CG 3.44Å; T560-L564 PolarHBondContact O-N 3.31Å; T561-L564 PolarHBondContact O-N 2.99Å; L564-G566 VanDerWaalsContact C-N 3.33Å; L564-G566 PolarHBondContact O-N 3.32Å; L564-L567 HydrophobicContact CD2-CD1 4.42Å; L564-L567 PolarHBondContact O-N 3.05Å; L564-C568 PolarHBondContact O-N 2.73Å; L564-C568 VanDerWaalsContact O-N 3.14Å; L564-C568 PolarHBondContact O-SG 2.9Å; L564-F593 HydrophobicContact CD2-CB 4.31Å; L564-F593 HydrophobicContact CD2-CD1 3.73Å; L564-F593 HydrophobicContact CD2-CD2 4.42Å; L564-F593 HydrophobicContact CD2-CE1 4.04Å; L564-F593 HydrophobicContact CD2-CG 3.91Å; L564-F593 HydrophobicContact CD2-CZ 4.49Å; L564-F597 HydrophobicContact CB-CZ 4.33Å; L564-F597 HydrophobicContact CD1-CE1 4.21Å; L564-F597 HydrophobicContact CD1-CE2 3.72Å; L564-F597 HydrophobicContact CD1-CZ 3.38Å; L564-F597 HydrophobicContact CG-CZ 4.49Å; L564-F607 HydrophobicContact CB-CD2 4.47Å; L564-F607 HydrophobicContact CB-CE2 4.2Å
565	K	83.1	Confident	76.8	Confident	52 Å²	52	59 Å²	59	23%	0.226	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-44.8	171.7	-74.2	178.6	174.5	-173.7	0	111.3	T561 Q562 C568 T569 A606 F607 H610	T561-K565 HydrophobicContact CG2-CD 4.37Å; T561-K565 HydrophobicContact CG2-CG 4.47Å; T561-K565 VanDerWaalsContact O-CG 3.31Å; T561-K565 WeakPolarHBondContact O-CG 3.08Å; T561-K565 PolarHBondContact O-N 3.29Å; Q562-K565 PolarHBondContact O-N 3.26Å; K565-C568 PolarHBondContact O-N 2.93Å; K565-T569 WeakPolarHBondContact O-CG2 3.42Å; K565-T569 PolarHBondContact O-N 3.32Å; K565-T569 PolarHBondContact O-OG1 3.12Å; K565-A606 WeakPolarHBondContact CE-O 3.31Å; K565-A606 PolarHBondContact NZ-O 3.26Å; K565-F607 HydrophobicContact CG-CD2 4.01Å; K565-H610 HydrophobicContact CD-CB 4.36Å
566	G	80.1	Confident	75	Confident	24 Å²	24	62.2 Å²	62.2	25%	0.247	31%	0.313	C	S	.	.	H	α-helix	trans	-63.4	-44.4	175.4	0	0	0	0	0	113.2	Q562 L563 L564 C568 T569 D570 Y571	Q562-G566 PolarHBondContact O-N 3.04Å; L563-G566 PolarHBondContact O-N 2.89Å; L564-G566 VanDerWaalsContact C-N 3.33Å; L564-G566 PolarHBondContact O-N 3.32Å; G566-C568 VanDerWaalsContact C-N 3.26Å; G566-C568 PolarHBondContact O-N 3.5Å; G566-T569 PolarHBondContact O-N 3.25Å; G566-D570 CarbonylContact O-C 3.46Å; G566-D570 PolarHBondContact O-N 3.05Å; G566-Y571 WeakPolarHBondContact O-CA 3.43Å; G566-Y571 WeakPolarHBondContact O-CB 3.5Å; G566-Y571 PolarHBondContact O-N 3.41Å
567	L	81	Confident	73.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-32	178.6	-80.3	165.5	0	0	0	113.7	A541 M545 L563 L564 Y571 A588	A541-L567 HydrophobicContact CB-CD2 3.79Å; M545-L567 HydrophobicContact CB-CD1 4.33Å; M545-L567 HydrophobicContact CG-CD1 3.63Å; L563-L567 HydrophobicContact CG-CD1 4.14Å; L563-L567 WeakPolarHBondContact O-CB 3.27Å; L563-L567 WeakPolarHBondContact O-CG 3.27Å; L563-L567 PolarHBondContact O-N 3.01Å; L564-L567 HydrophobicContact CD2-CD1 4.42Å; L564-L567 PolarHBondContact O-N 3.05Å; L567-Y571 HydrophobicContact CD2-CD1 4.19Å; L567-Y571 HydrophobicContact CD2-CD2 3.48Å; L567-Y571 VanDerWaalsContact CD2-CD2 3.48Å; L567-Y571 HydrophobicContact CD2-CE1 4.35Å; L567-Y571 HydrophobicContact CD2-CE2 3.69Å; L567-Y571 HydrophobicContact CD2-CG 3.76Å; L567-Y571 HydrophobicContact CG-CD2 3.83Å; L567-Y571 HydrophobicContact CG-CE2 4.13Å; L567-Y571 HydrophobicContact CG-CG 4.46Å; L567-A588 PolarHBondContact O-N 3.2Å
568	C	75.1	Confident	71.3	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-94	-6.1	-177.2	-57.8	0	0	0	0	113.9	L564 K565 G566 F607 M611 Q615	L564-C568 PolarHBondContact O-N 2.73Å; L564-C568 VanDerWaalsContact O-N 3.14Å; L564-C568 PolarHBondContact O-SG 2.9Å; K565-C568 PolarHBondContact O-N 2.93Å; G566-C568 VanDerWaalsContact C-N 3.26Å; G566-C568 PolarHBondContact O-N 3.5Å; C568-F607 HydrophobicContact CB-CE2 4.36Å; C568-F607 HydrophobicContact CB-CZ 4.37Å; C568-M611 HydrophobicContact CB-CE 4.22Å; C568-M611 HydrophobicContact CB-SD 3.39Å; C568-M611 WeakPolarHBondContact CB-SD 3.36Å; C568-Q615 PolarHBondContact O-OE1 3.22Å
569	T	75.4	Confident	69.4	Low	18 Å²	18	72 Å²	72	11%	0.11	38%	0.375	C	S	.	.	S	Bend	trans	-115	-86.2	-177.1	51.6	0	0	0	0	111.8	K565 G566 R587 M611 V614	K565-T569 WeakPolarHBondContact O-CG2 3.42Å; K565-T569 PolarHBondContact O-N 3.32Å; K565-T569 PolarHBondContact O-OG1 3.12Å; G566-T569 PolarHBondContact O-N 3.25Å; T569-R587 WeakPolarHBondContact O-CG 3.32Å; T569-R587 PolarHBondContact O-NE 3.14Å; T569-M611 HydrophobicContact CG2-CE 3.53Å; T569-M611 HydrophobicContact CG2-SD 4.32Å; T569-V614 HydrophobicContact CG2-CB 4.01Å; T569-V614 HydrophobicContact CG2-CG1 3.55Å; T569-V614 HydrophobicContact CG2-CG2 4.48Å
570	D	67.3	Low	67.1	Low	100 Å²	100	75.9 Å²	75.9	54%	0.535	40%	0.398	S	S	.	.			trans	-133.6	74.1	179.3	-71.2	-24.6	0	0	0	109	G566 R572 R587	G566-D570 CarbonylContact O-C 3.46Å; G566-D570 PolarHBondContact O-N 3.05Å; D570-R572 PolarHBondContact O-N 3.35Å; D570-R587 IonicContact OD1-NH2 2.61Å
571	Y	71.8	Confident	65.1	Low	29 Å²	29	87.5 Å²	87.5	11%	0.114	44%	0.442	C	S	.	.			trans	-65.7	122.9	179.7	-176.8	-108	0	0	0	110.6	I533 G534 L536 F538 A541 L563 G566 L567 P573	I533-Y571 PolarHBondContact O-OH 2.82Å; G534-Y571 VanDerWaalsContact C-OH 3.24Å; G534-Y571 WeakPolarHBondContact CA-OH 3.41Å; G534-Y571 PolarHBondContact O-OH 2.86Å; L536-Y571 VanDerWaalsContact O-CE1 3.25Å; L536-Y571 WeakPolarHBondContact O-CE1 3.5Å; L536-Y571 PolarHBondContact O-OH 3.31Å; F538-Y571 HydrophobicContact CB-CD1 4.13Å; F538-Y571 HydrophobicContact CD2-CD1 4.25Å; A541-Y571 HydrophobicContact CB-CE1 4.28Å; L563-Y571 HydrophobicContact CD1-CE2 4.14Å; G566-Y571 WeakPolarHBondContact O-CA 3.43Å; G566-Y571 WeakPolarHBondContact O-CB 3.5Å; G566-Y571 PolarHBondContact O-N 3.41Å; L567-Y571 HydrophobicContact CD2-CD1 4.19Å; L567-Y571 HydrophobicContact CD2-CD2 3.48Å; L567-Y571 VanDerWaalsContact CD2-CD2 3.48Å; L567-Y571 HydrophobicContact CD2-CE1 4.35Å; L567-Y571 HydrophobicContact CD2-CE2 3.69Å; L567-Y571 HydrophobicContact CD2-CG 3.76Å; L567-Y571 HydrophobicContact CG-CD2 3.83Å; L567-Y571 HydrophobicContact CG-CE2 4.13Å; L567-Y571 HydrophobicContact CG-CG 4.46Å; Y571-P573 HydrophobicContact CE1-CG 4.02Å
572	R	65.8	Low	63	Low	210 Å²	210	96.8 Å²	96.8	79%	0.792	49%	0.485	S	S	*	.			trans	-121.1	119.8	170.1	-67.9	-171.8	-179.6	172.7	3.2	108.9	D570 S574	D570-R572 PolarHBondContact O-N 3.35Å; R572-S574 PolarHBondContact O-N 3.46Å
573	P	66.8	Low	60.9	Low	37 Å²	37	94.2 Å²	94.2	24%	0.24	49%	0.488	C	S	.	.			trans	-54.4	133.3	172.1	-20.9	30.7	0	0	0	109.2	Y571 L575 E576	Y571-P573 HydrophobicContact CE1-CG 4.02Å; P573-L575 PolarHBondContact O-N 3.32Å; P573-E576 PolarHBondContact O-N 3.27Å
574	S	58.8	Low	59.2	Low	97 Å²	97	98.8 Å²	98.8	68%	0.678	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	0.5	-172.9	-59	0	0	0	0	115.3	G534 R572	G534-S574 PolarHBondContact O-N 3.48Å; G534-S574 VanDerWaalsContact O-N 3.14Å; G534-S574 PolarHBondContact O-OG 3.39Å; R572-S574 PolarHBondContact O-N 3.46Å
575	L	49.9	Very low	57.8	Low	123 Å²	123	101.1 Å²	101.1	64%	0.644	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-13.3	-172.2	-94.7	149.9	0	0	0	115.3	K535 P573 G577	K535-L575 HydrophobicContact CB-CD1 3.89Å; K535-L575 HydrophobicContact CD-CD1 3.88Å; K535-L575 HydrophobicContact CG-CD1 3.82Å; K535-L575 HydrophobicContact CG-CG 4.47Å; P573-L575 PolarHBondContact O-N 3.32Å; L575-G577 PolarHBondContact O-N 3.06Å
576	E	44.4	Very low	56.7	Low	165 Å²	165	102.3 Å²	102.3	77%	0.771	56%	0.557	S	S	*	*			trans	-101.4	83.4	-177.2	-72.7	-174.8	172.8	0	0	112.5	P573 R578	P573-E576 PolarHBondContact O-N 3.27Å; E576-R578 PolarHBondContact O-N 3.23Å
577	G	45.2	Very low	56.1	Low	72 Å²	72	106.9 Å²	106.9	74%	0.742	57%	0.567	S	S	*	*			trans	-71.9	110.3	156.1	0	0	0	0	0	110.1	L575	L575-G577 PolarHBondContact O-N 3.06Å
578	R	45.7	Very low	55.7	Low	242 Å²	242	107.1 Å²	107.1	91%	0.913	57%	0.569	S	S	*	*	S	Bend	trans	63.4	95.1	165.8	-65.2	178.4	169.7	-177.2	-3	116.8	E576	E576-R578 PolarHBondContact O-N 3.23Å
579	S	41.8	Very low	55.8	Low	100 Å²	100	109.7 Å²	109.7	70%	0.699	58%	0.583	S	S	*	*				161.7	103.2	118.9	52	0	0	0	0	110.1
580	D	35.5	Very low	55.8	Low	156 Å²	156	109 Å²	109	83%	0.834	58%	0.578	S	S	*	*			trans	163	92.6	137.8	-80.4	-12.6	0	0	0	108.4	E582	D580-E582 PolarHBondContact O-N 3.49Å
581	R	44.2	Very low	56.1	Low	243 Å²	243	108 Å²	108	92%	0.917	57%	0.57	S	S	*	*			trans	-74.1	98.9	161.2	-70.2	177	175.4	-176.8	-2.6	105
582	E	41.2	Very low	56.4	Low	197 Å²	197	111.2 Å²	111.2	92%	0.921	59%	0.586	S	S	*	*			trans	158.9	44.4	155.6	-85.1	159.4	-156	0	0	113.9	D580	D580-E582 PolarHBondContact O-N 3.49Å
583	A	40.1	Very low	57.2	Low	85 Å²	85	101.2 Å²	101.2	70%	0.702	55%	0.549	S	S	*	.	S	Bend	trans	-117.5	131.1	160.1	0	0	0	0	0	109.5	G585	A583-G585 PolarHBondContact O-N 3.09Å
584	P	46.4	Very low	57.8	Low	124 Å²	124	100.8 Å²	100.8	81%	0.805	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-60.9	121.4	175.5	25.5	-32	0	0	0	108.6	C586	P584-C586 PolarHBondContact O-N 3.09Å
585	G	55.3	Low	58.9	Low	50 Å²	50	99.7 Å²	99.7	52%	0.515	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-56.9	122.5	-177.1	0	0	0	0	0	111	A583 R587	A583-G585 PolarHBondContact O-N 3.09Å; G585-R587 PolarHBondContact O-N 2.96Å
586	C	58.6	Low	60.5	Low	77 Å²	77	94.4 Å²	94.4	52%	0.52	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-66.1	128.5	171.2	-59.7	0	0	0	0	108.7	F538 P584	F538-C586 HydrophobicContact CB-CB 4.2Å; F538-C586 HydrophobicContact CD1-CB 3.36Å; F538-C586 HydrophobicContact CD2-CB 3.9Å; F538-C586 WeakPolarHBondContact CD2-O 3.49Å; F538-C586 HydrophobicContact CE1-CB 3.62Å; F538-C586 HydrophobicContact CE2-CB 4.1Å; F538-C586 WeakPolarHBondContact CE2-O 3.34Å; F538-C586 HydrophobicContact CG-CB 3.52Å; F538-C586 HydrophobicContact CZ-CB 3.98Å; P584-C586 PolarHBondContact O-N 3.09Å
587	R	68.6	Low	62.2	Low	120 Å²	120	86.6 Å²	86.6	45%	0.453	47%	0.471	S	S	.	.			trans	-119.7	129.1	-178.9	-62.2	-173.2	177.3	163.4	0.8	109.3	T569 D570 G585	T569-R587 WeakPolarHBondContact O-CG 3.32Å; T569-R587 PolarHBondContact O-NE 3.14Å; D570-R587 IonicContact OD1-NH2 2.61Å; G585-R587 PolarHBondContact O-N 2.96Å
588	A	72.9	Confident	63.5	Low	5 Å²	5	86.9 Å²	86.9	4%	0.041	47%	0.466	C	S	.	.			trans	-79.4	150.6	-179.6	0	0	0	0	0	109.9	F538 E542 L567 S590 F593	F538-A588 HydrophobicContact CE2-CB 3.8Å; F538-A588 HydrophobicContact CZ-CB 3.65Å; E542-A588 HydrophobicContact CG-CB 4.31Å; L567-A588 PolarHBondContact O-N 3.2Å; A588-S590 PolarHBondContact O-N 3.23Å; A588-F593 HydrophobicContact CB-CE2 3.56Å; A588-F593 HydrophobicContact CB-CZ 4.04Å
589	N	75.4	Confident	64.8	Low	54 Å²	54	82.2 Å²	82.2	29%	0.289	46%	0.459	S	S	.	.			trans	-68.6	107.7	177.8	-174.8	-2.3	0	0	0	109.4	E591 E592 F593 P619	N589-E591 PolarHBondContact O-N 2.75Å; N589-E591 WeakPolarHBondContact OD1-CB 3.14Å; N589-E591 PolarHBondContact OD1-N 2.62Å; N589-E591 VanDerWaalsContact OD1-N 3.17Å; N589-E592 HydrophobicContact CB-CG 4.13Å; N589-E592 PolarHBondContact ND2-OE1 3.02Å; N589-E592 PolarHBondContact O-N 3.41Å; N589-E592 VanDerWaalsContact O-N 3.16Å; N589-F593 WeakPolarHBondContact O-CD2 3.36Å; N589-P619 WeakPolarHBondContact OD1-CG 3.4Å
590	S	75.6	Confident	66.6	Low	2 Å²	2	79.8 Å²	79.8	1%	0.014	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.2	-175.8	30.2	0	0	0	0	113.4	A588 I622	A588-S590 PolarHBondContact O-N 3.23Å; S590-I622 WeakPolarHBondContact OG-CD1 3.5Å
591	E	74.8	Confident	68.5	Low	80 Å²	80	76.8 Å²	76.8	37%	0.374	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-37.1	172	-172.8	175.1	177.8	0	0	112.3	N589 F593 I594 P619	N589-E591 PolarHBondContact O-N 2.75Å; N589-E591 WeakPolarHBondContact OD1-CB 3.14Å; N589-E591 PolarHBondContact OD1-N 2.62Å; N589-E591 VanDerWaalsContact OD1-N 3.17Å; E591-F593 PolarHBondContact O-N 3.48Å; E591-I594 HydrophobicContact CG-CD1 4.26Å; E591-I594 WeakPolarHBondContact O-CB 3.44Å; E591-I594 WeakPolarHBondContact O-CG1 3.31Å; E591-I594 PolarHBondContact O-N 2.9Å; E591-P619 HydrophobicContact CB-CB 4.37Å
592	E	78.7	Confident	70.2	Confident	96 Å²	96	75.5 Å²	75.5	45%	0.449	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19	-174.9	-66	-177.3	-150.6	0	0	113.4	K546 N589 P595	K546-E592 WeakPolarHBondContact CE-OE2 3.25Å; K546-E592 IonicContact NZ-OE2 3.65Å; K546-E592 PolarHBondContact NZ-OE2 2.83Å; N589-E592 HydrophobicContact CB-CG 4.13Å; N589-E592 PolarHBondContact ND2-OE1 3.02Å; N589-E592 PolarHBondContact O-N 3.41Å; N589-E592 VanDerWaalsContact O-N 3.16Å; E592-P595 WeakPolarHBondContact O-CD 3.48Å
593	F	81.3	Confident	72	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-10.1	177.7	-60.1	-67.9	0	0	0	113.6	E542 M545 K546 L564 A588 N589 E591 P595 I596 F597	E542-F593 HydrophobicContact CG-CZ 3.98Å; M545-F593 HydrophobicContact CB-CE1 4.04Å; K546-F593 HydrophobicContact CG-CD1 4.35Å; K546-F593 HydrophobicContact CG-CE1 3.79Å; L564-F593 HydrophobicContact CD2-CB 4.31Å; L564-F593 HydrophobicContact CD2-CD1 3.73Å; L564-F593 HydrophobicContact CD2-CD2 4.42Å; L564-F593 HydrophobicContact CD2-CE1 4.04Å; L564-F593 HydrophobicContact CD2-CG 3.91Å; L564-F593 HydrophobicContact CD2-CZ 4.49Å; A588-F593 HydrophobicContact CB-CE2 3.56Å; A588-F593 HydrophobicContact CB-CZ 4.04Å; N589-F593 WeakPolarHBondContact O-CD2 3.36Å; E591-F593 PolarHBondContact O-N 3.48Å; F593-P595 VanDerWaalsContact C-CD 3.41Å; F593-P595 VanDerWaalsContact C-N 3.31Å; F593-I596 HydrophobicContact CB-CD1 4.41Å; F593-I596 HydrophobicContact CD1-CD1 3.65Å; F593-I596 VanDerWaalsContact O-CB 3.27Å; F593-I596 WeakPolarHBondContact O-CB 3.34Å; F593-I596 PolarHBondContact O-N 3.18Å; F593-F597 WeakPolarHBondContact O-CD2 3.37Å
594	I	79.6	Confident	74.1	Confident	28 Å²	28	65.4 Å²	65.4	14%	0.144	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-52	-43.7	176.9	-63.6	174.5	0	0	0	112	E591 I596 F597 L604 L608 I622 T625	E591-I594 HydrophobicContact CG-CD1 4.26Å; E591-I594 WeakPolarHBondContact O-CB 3.44Å; E591-I594 WeakPolarHBondContact O-CG1 3.31Å; E591-I594 PolarHBondContact O-N 2.9Å; I594-I596 PolarHBondContact O-N 3.38Å; I594-I596 VanDerWaalsContact O-N 3.09Å; I594-F597 PolarHBondContact O-N 2.9Å; I594-F597 VanDerWaalsContact O-N 3.09Å; I594-L604 HydrophobicContact CG2-CD1 4.19Å; I594-L608 HydrophobicContact CD1-CD2 4.38Å; I594-L608 HydrophobicContact CG1-CD2 4.46Å; I594-I622 HydrophobicContact CD1-CG1 4.44Å; I594-T625 HydrophobicContact CG2-CG2 4.44Å
595	P	82.6	Confident	75.7	Confident	74 Å²	74	64.2 Å²	64.2	48%	0.481	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-63.4	-16.7	178.4	-23.1	35.1	0	0	0	115.1	E592 F593 F597	E592-P595 WeakPolarHBondContact O-CD 3.48Å; F593-P595 VanDerWaalsContact C-CD 3.41Å; F593-P595 VanDerWaalsContact C-N 3.31Å; P595-F597 VanDerWaalsContact C-N 3.29Å
596	I	82.8	Confident	76.9	Confident	13 Å²	13	63.3 Å²	63.3	7%	0.067	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-71.4	-30.2	177.2	-59.8	-174.8	0	0	0	110.7	M545 G549 K550 M553 F593 I594 A598	M545-I596 WeakPolarHBondContact O-CD1 3.45Å; G549-I596 WeakPolarHBondContact O-CG2 3.42Å; K550-I596 HydrophobicContact CG-CG1 4.48Å; M553-I596 HydrophobicContact CB-CG2 3.95Å; M553-I596 HydrophobicContact CE-CG2 4.32Å; M553-I596 HydrophobicContact CG-CG2 4.28Å; F593-I596 HydrophobicContact CB-CD1 4.41Å; F593-I596 HydrophobicContact CD1-CD1 3.65Å; F593-I596 VanDerWaalsContact O-CB 3.27Å; F593-I596 WeakPolarHBondContact O-CB 3.34Å; F593-I596 PolarHBondContact O-N 3.18Å; I594-I596 PolarHBondContact O-N 3.38Å; I594-I596 VanDerWaalsContact O-N 3.09Å; I596-A598 VanDerWaalsContact C-N 3.34Å; I596-A598 PolarHBondContact O-N 3.05Å
597	F	80.9	Confident	78	Confident	1 Å²	1	59.7 Å²	59.7	0%	0.004	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-89	8.5	-178.5	-59.7	-89.5	0	0	0	114	M553 T561 L564 F593 I594 P595 N599 N600 E603 L604 F607	M553-F597 HydrophobicContact CE-CD1 3.63Å; M553-F597 HydrophobicContact CE-CE1 3.31Å; M553-F597 HydrophobicContact CE-CG 4.47Å; M553-F597 HydrophobicContact CE-CZ 3.92Å; M553-F597 HydrophobicContact SD-CD1 4.15Å; M553-F597 HydrophobicContact SD-CE1 4.26Å; T561-F597 HydrophobicContact CG2-CE1 4.14Å; L564-F597 HydrophobicContact CB-CZ 4.33Å; L564-F597 HydrophobicContact CD1-CE1 4.21Å; L564-F597 HydrophobicContact CD1-CE2 3.72Å; L564-F597 HydrophobicContact CD1-CZ 3.38Å; L564-F597 HydrophobicContact CG-CZ 4.49Å; F593-F597 WeakPolarHBondContact O-CD2 3.37Å; I594-F597 PolarHBondContact O-N 2.9Å; I594-F597 VanDerWaalsContact O-N 3.09Å; P595-F597 VanDerWaalsContact C-N 3.29Å; F597-N599 PolarHBondContact O-N 2.92Å; F597-N600 CarbonylContact O-C 3.59Å; F597-N600 PolarHBondContact O-N 3.27Å; F597-E603 HydrophobicContact CD1-CB 3.88Å; F597-E603 HydrophobicContact CE1-CB 4.08Å; F597-L604 HydrophobicContact CB-CB 3.76Å; F597-L604 HydrophobicContact CB-CD1 4Å; F597-L604 HydrophobicContact CB-CG 4.31Å; F597-L604 HydrophobicContact CD2-CD1 4.07Å; F597-L604 HydrophobicContact CG-CB 4.23Å; F597-L604 HydrophobicContact CG-CD1 4.18Å; F597-F607 HydrophobicContact CE1-CB 4.39Å; F597-F607 HydrophobicContact CE2-CB 4.42Å; F597-F607 AromaticContact CE2-CD1 4Å; F597-F607 HydrophobicContact CE2-CD1 4Å; F597-F607 HydrophobicContact CE2-CD2 4.46Å; F597-F607 HydrophobicContact CE2-CE1 4.38Å; F597-F607 HydrophobicContact CE2-CG 4.04Å; F597-F607 HydrophobicContact CZ-CB 3.99Å; F597-F607 HydrophobicContact CZ-CD1 4.33Å; F597-F607 HydrophobicContact CZ-CD2 4.14Å; F597-F607 AromaticContact CZ-CG 3.9Å; F597-F607 HydrophobicContact CZ-CG 3.9Å
598	A	71.5	Confident	78.6	Confident	78 Å²	78	54 Å²	54	65%	0.645	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-28.4	-171	0	0	0	0	0	115.2	I596	I596-A598 VanDerWaalsContact C-N 3.34Å; I596-A598 PolarHBondContact O-N 3.05Å
599	N	73.8	Confident	79	Confident	143 Å²	143	57 Å²	57	77%	0.765	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	3.5	179	-64.9	-22.5	0	0	0	114.2	F597	F597-N599 PolarHBondContact O-N 2.92Å
600	N	79.2	Confident	79.2	Confident	50 Å²	50	57 Å²	57	27%	0.267	30%	0.297	S	S	.	.			trans	-134.1	75.3	-173.5	-69.2	-54.8	0	0	0	111.5	M553 F597 R602 E603 L604	M553-N600 WeakPolarHBondContact CG-ND2 3.37Å; F597-N600 CarbonylContact O-C 3.59Å; F597-N600 PolarHBondContact O-N 3.27Å; N600-R602 VanDerWaalsContact C-N 3.27Å; N600-R602 PolarHBondContact O-N 3.25Å; N600-E603 HydrophobicContact CB-CB 4.17Å; N600-E603 HydrophobicContact CB-CG 4.32Å; N600-E603 PolarHBondContact O-N 2.95Å; N600-L604 PolarHBondContact O-N 3.25Å
601	P	75.8	Confident	79.3	Confident	93 Å²	93	56.9 Å²	56.9	60%	0.604	30%	0.296	S	S	*	.	H	α-helix	trans	-66.1	-25.9	-175.1	26.1	-34.9	0	0	0	113.7	K605	P601-K605 WeakPolarHBondContact O-CB 3.38Å; P601-K605 PolarHBondContact O-N 3.02Å
602	R	78.8	Confident	79.3	Confident	216 Å²	216	54.8 Å²	54.8	82%	0.815	29%	0.29	S	S	*	.	H	α-helix	trans	-68.6	-46.3	176.6	-67.7	-176.9	178.4	-177.1	-0.5	111.9	N600 K605 A606	N600-R602 VanDerWaalsContact C-N 3.27Å; N600-R602 PolarHBondContact O-N 3.25Å; R602-K605 PolarHBondContact O-N 3.2Å; R602-A606 PolarHBondContact O-N 3.46Å
603	E	80.1	Confident	79.3	Confident	48 Å²	48	57.6 Å²	57.6	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-68.8	-36.7	177.4	-64	-56.6	130.3	0	0	111.3	P557 T561 F597 N600 A606 F607	P557-E603 HydrophobicContact CB-CG 4.48Å; T561-E603 VanDerWaalsContact CB-OE2 3.27Å; T561-E603 WeakPolarHBondContact CB-OE2 3.37Å; T561-E603 WeakPolarHBondContact CG2-OE2 3.39Å; T561-E603 PolarHBondContact OG1-OE2 3.48Å; F597-E603 HydrophobicContact CD1-CB 3.88Å; F597-E603 HydrophobicContact CE1-CB 4.08Å; N600-E603 HydrophobicContact CB-CB 4.17Å; N600-E603 HydrophobicContact CB-CG 4.32Å; N600-E603 PolarHBondContact O-N 2.95Å; E603-A606 PolarHBondContact O-N 2.72Å; E603-F607 WeakPolarHBondContact O-CB 3.42Å; E603-F607 PolarHBondContact O-N 3.32Å
604	L	82.6	Confident	78.9	Confident	21 Å²	21	60.8 Å²	60.8	11%	0.11	32%	0.322	C	S	.	.	H	α-helix	trans	-59.9	-48.6	172.8	-178.8	57.2	0	0	0	111.4	I594 F597 N600 A606 F607 L608 L629	I594-L604 HydrophobicContact CG2-CD1 4.19Å; F597-L604 HydrophobicContact CB-CB 3.76Å; F597-L604 HydrophobicContact CB-CD1 4Å; F597-L604 HydrophobicContact CB-CG 4.31Å; F597-L604 HydrophobicContact CD2-CD1 4.07Å; F597-L604 HydrophobicContact CG-CB 4.23Å; F597-L604 HydrophobicContact CG-CD1 4.18Å; N600-L604 PolarHBondContact O-N 3.25Å; L604-A606 PolarHBondContact O-N 3.31Å; L604-F607 WeakPolarHBondContact O-CB 3.43Å; L604-F607 PolarHBondContact O-N 3.48Å; L604-L608 HydrophobicContact CD1-CD1 3.88Å; L604-L608 HydrophobicContact CD1-CD2 4.34Å; L604-L608 HydrophobicContact CD1-CG 3.94Å; L604-L608 HydrophobicContact CG-CD1 3.87Å; L604-L608 HydrophobicContact CG-CG 4.33Å; L604-L608 VanDerWaalsContact O-CG 3.31Å; L604-L608 WeakPolarHBondContact O-CG 3.2Å; L604-L608 PolarHBondContact O-N 3.43Å; L604-L629 HydrophobicContact CD2-CD1 4.31Å; L604-L629 HydrophobicContact CG-CD1 4.49Å
605	K	80.3	Confident	78.3	Confident	99 Å²	99	60.7 Å²	60.7	43%	0.43	32%	0.321	S	S	.	.	H	α-helix	trans	-58.5	-49.2	176.8	-179.1	178.4	173.7	178.6	0	111.2	P601 R602 F607 L608 E609	P601-K605 WeakPolarHBondContact O-CB 3.38Å; P601-K605 PolarHBondContact O-N 3.02Å; R602-K605 PolarHBondContact O-N 3.2Å; K605-F607 PolarHBondContact O-N 3.19Å; K605-L608 PolarHBondContact O-N 3.16Å; K605-E609 VanDerWaalsContact CE-CD 3.49Å; K605-E609 WeakPolarHBondContact CE-OE1 3.41Å; K605-E609 HydrophobicContact CG-CG 4.29Å; K605-E609 IonicContact NZ-OE1 2.65Å; K605-E609 WeakPolarHBondContact O-CB 3.48Å; K605-E609 WeakPolarHBondContact O-CG 3.34Å; K605-E609 PolarHBondContact O-N 3.39Å
606	A	81	Confident	77.4	Confident	32 Å²	32	60.1 Å²	60.1	26%	0.264	32%	0.318	S	S	.	.	H	α-helix	trans	-64	-25.4	179	0	0	0	0	0	113.5	K565 R602 E603 L604 H610	K565-A606 WeakPolarHBondContact CE-O 3.31Å; K565-A606 PolarHBondContact NZ-O 3.26Å; R602-A606 PolarHBondContact O-N 3.46Å; E603-A606 PolarHBondContact O-N 2.72Å; L604-A606 PolarHBondContact O-N 3.31Å; A606-H610 WeakPolarHBondContact O-CB 3.47Å
607	F	82.7	Confident	76.5	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-76.2	-51.5	172.4	175.4	-103	0	0	0	111.4	L564 K565 C568 F597 E603 L604 K605 E609 H610 M611	L564-F607 HydrophobicContact CB-CD2 4.47Å; L564-F607 HydrophobicContact CB-CE2 4.2Å; K565-F607 HydrophobicContact CG-CD2 4.01Å; C568-F607 HydrophobicContact CB-CE2 4.36Å; C568-F607 HydrophobicContact CB-CZ 4.37Å; F597-F607 HydrophobicContact CE1-CB 4.39Å; F597-F607 HydrophobicContact CE2-CB 4.42Å; F597-F607 AromaticContact CE2-CD1 4Å; F597-F607 HydrophobicContact CE2-CD1 4Å; F597-F607 HydrophobicContact CE2-CD2 4.46Å; F597-F607 HydrophobicContact CE2-CE1 4.38Å; F597-F607 HydrophobicContact CE2-CG 4.04Å; F597-F607 HydrophobicContact CZ-CB 3.99Å; F597-F607 HydrophobicContact CZ-CD1 4.33Å; F597-F607 HydrophobicContact CZ-CD2 4.14Å; F597-F607 AromaticContact CZ-CG 3.9Å; F597-F607 HydrophobicContact CZ-CG 3.9Å; E603-F607 WeakPolarHBondContact O-CB 3.42Å; E603-F607 PolarHBondContact O-N 3.32Å; L604-F607 WeakPolarHBondContact O-CB 3.43Å; L604-F607 PolarHBondContact O-N 3.48Å; K605-F607 PolarHBondContact O-N 3.19Å; F607-E609 PolarHBondContact O-N 3.32Å; F607-H610 PolarHBondContact O-N 2.95Å; F607-M611 HydrophobicContact CD1-CG 4.43Å; F607-M611 HydrophobicContact CD2-CG 4.49Å; F607-M611 HydrophobicContact CE1-CG 4.08Å; F607-M611 HydrophobicContact CE2-CE 4.28Å; F607-M611 HydrophobicContact CE2-CG 4.13Å; F607-M611 HydrophobicContact CE2-SD 4.13Å; F607-M611 HydrophobicContact CZ-CG 3.92Å; F607-M611 HydrophobicContact CZ-SD 4.17Å; F607-M611 WeakPolarHBondContact O-CG 3.38Å; F607-M611 PolarHBondContact O-N 3.17Å
608	L	81.1	Confident	76.1	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.1	-39.7	-178.5	-63	171.9	0	0	0	112.4	I594 L604 K605 M611 S612 I622 T625 L626 L629	I594-L608 HydrophobicContact CD1-CD2 4.38Å; I594-L608 HydrophobicContact CG1-CD2 4.46Å; L604-L608 HydrophobicContact CD1-CD1 3.88Å; L604-L608 HydrophobicContact CD1-CD2 4.34Å; L604-L608 HydrophobicContact CD1-CG 3.94Å; L604-L608 HydrophobicContact CG-CD1 3.87Å; L604-L608 HydrophobicContact CG-CG 4.33Å; L604-L608 VanDerWaalsContact O-CG 3.31Å; L604-L608 WeakPolarHBondContact O-CG 3.2Å; L604-L608 PolarHBondContact O-N 3.43Å; K605-L608 PolarHBondContact O-N 3.16Å; L608-M611 PolarHBondContact O-N 3.02Å; L608-S612 WeakPolarHBondContact O-CB 3.39Å; L608-S612 PolarHBondContact O-N 3.23Å; L608-I622 HydrophobicContact CD2-CB 4.27Å; L608-I622 HydrophobicContact CD2-CG1 4.14Å; L608-I622 HydrophobicContact CD2-CG2 3.77Å; L608-T625 HydrophobicContact CD1-CG2 4.07Å; L608-L626 HydrophobicContact CB-CD1 4.29Å; L608-L629 HydrophobicContact CD1-CD1 3.65Å
609	E	80.4	Confident	76.2	Confident	68 Å²	68	64 Å²	64	32%	0.318	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-45.4	175	-73.7	176.5	158.1	0	0	111	K605 F607 M611 S612 E613	K605-E609 VanDerWaalsContact CE-CD 3.49Å; K605-E609 WeakPolarHBondContact CE-OE1 3.41Å; K605-E609 HydrophobicContact CG-CG 4.29Å; K605-E609 IonicContact NZ-OE1 2.65Å; K605-E609 WeakPolarHBondContact O-CB 3.48Å; K605-E609 WeakPolarHBondContact O-CG 3.34Å; K605-E609 PolarHBondContact O-N 3.39Å; F607-E609 PolarHBondContact O-N 3.32Å; E609-M611 PolarHBondContact O-N 3.37Å; E609-S612 PolarHBondContact O-N 3.44Å; E609-S612 VanDerWaalsContact O-N 3.17Å; E609-S612 PolarHBondContact O-OG 2.75Å; E609-E613 WeakPolarHBondContact O-CG 3.23Å; E609-E613 PolarHBondContact O-N 3.47Å; E609-E613 VanDerWaalsContact O-N 3.1Å
610	H	80.8	Confident	76.2	Confident	55 Å²	55	59.5 Å²	59.5	26%	0.255	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-40.8	177	-173.5	61.6	0	0	0	112.5	K565 A606 F607 S612 E613 V614	K565-H610 HydrophobicContact CD-CB 4.36Å; A606-H610 WeakPolarHBondContact O-CB 3.47Å; F607-H610 PolarHBondContact O-N 2.95Å; H610-S612 VanDerWaalsContact C-N 3.32Å; H610-S612 PolarHBondContact O-N 2.94Å; H610-E613 PolarHBondContact O-N 3.26Å; H610-V614 VanDerWaalsContact CE1-CG2 3.48Å; H610-V614 WeakPolarHBondContact CE1-CG2 3.3Å; H610-V614 WeakPolarHBondContact O-CB 2.9Å; H610-V614 WeakPolarHBondContact O-CG2 3.42Å; H610-V614 PolarHBondContact O-N 3.36Å
611	M	77.1	Confident	75.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-38.3	174.9	-66.2	-55	92.5	0	0	111.7	C568 T569 F607 L608 E609 E613 Q615 S618 I622	C568-M611 HydrophobicContact CB-CE 4.22Å; C568-M611 HydrophobicContact CB-SD 3.39Å; C568-M611 WeakPolarHBondContact CB-SD 3.36Å; T569-M611 HydrophobicContact CG2-CE 3.53Å; T569-M611 HydrophobicContact CG2-SD 4.32Å; F607-M611 HydrophobicContact CD1-CG 4.43Å; F607-M611 HydrophobicContact CD2-CG 4.49Å; F607-M611 HydrophobicContact CE1-CG 4.08Å; F607-M611 HydrophobicContact CE2-CE 4.28Å; F607-M611 HydrophobicContact CE2-CG 4.13Å; F607-M611 HydrophobicContact CE2-SD 4.13Å; F607-M611 HydrophobicContact CZ-CG 3.92Å; F607-M611 HydrophobicContact CZ-SD 4.17Å; F607-M611 WeakPolarHBondContact O-CG 3.38Å; F607-M611 PolarHBondContact O-N 3.17Å; L608-M611 PolarHBondContact O-N 3.02Å; E609-M611 PolarHBondContact O-N 3.37Å; M611-E613 VanDerWaalsContact C-N 3.31Å; M611-E613 PolarHBondContact O-N 3.04Å; M611-Q615 PolarHBondContact O-N 3.1Å; M611-S618 PolarHBondContact O-OG 3.02Å; M611-I622 HydrophobicContact CB-CD1 4.48Å; M611-I622 HydrophobicContact CB-CG2 4.48Å
612	S	75.3	Confident	76.1	Confident	36 Å²	36	52.9 Å²	52.9	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-66.5	-31	178.6	77.1	0	0	0	0	113.6	L608 E609 H610	L608-S612 WeakPolarHBondContact O-CB 3.39Å; L608-S612 PolarHBondContact O-N 3.23Å; E609-S612 PolarHBondContact O-N 3.44Å; E609-S612 VanDerWaalsContact O-N 3.17Å; E609-S612 PolarHBondContact O-OG 2.75Å; H610-S612 VanDerWaalsContact C-N 3.32Å; H610-S612 PolarHBondContact O-N 2.94Å
613	E	77.3	Confident	75.9	Confident	155 Å²	155	43 Å²	43	72%	0.724	23%	0.228	S	C	*	.	H	α-helix	trans	-82.4	-41.7	178.7	-71.2	177.2	174.7	0	0	112.7	E609 H610 M611	E609-E613 WeakPolarHBondContact O-CG 3.23Å; E609-E613 PolarHBondContact O-N 3.47Å; E609-E613 VanDerWaalsContact O-N 3.1Å; H610-E613 PolarHBondContact O-N 3.26Å; M611-E613 VanDerWaalsContact C-N 3.31Å; M611-E613 PolarHBondContact O-N 3.04Å
614	V	74.2	Confident	75.8	Confident	66 Å²	66	41.3 Å²	41.3	40%	0.4	22%	0.221	S	C	.	.	H	α-helix	trans	-86	-34.7	-172.1	179.7	0	0	0	0	112.2	T569 H610	T569-V614 HydrophobicContact CG2-CB 4.01Å; T569-V614 HydrophobicContact CG2-CG1 3.55Å; T569-V614 HydrophobicContact CG2-CG2 4.48Å; H610-V614 VanDerWaalsContact CE1-CG2 3.48Å; H610-V614 WeakPolarHBondContact CE1-CG2 3.3Å; H610-V614 WeakPolarHBondContact O-CB 2.9Å; H610-V614 WeakPolarHBondContact O-CG2 3.42Å; H610-V614 PolarHBondContact O-N 3.36Å
615	Q	66.3	Low	75.7	Confident	26 Å²	26	41.8 Å²	41.8	12%	0.121	22%	0.224	C	C	.	.			trans	-125.6	97	-176.4	-174	169.5	-16.3	0	0	111.5	C568 M611 D617 S618 Y623	C568-Q615 PolarHBondContact O-OE1 3.22Å; M611-Q615 PolarHBondContact O-N 3.1Å; Q615-D617 PolarHBondContact NE2-O 3.42Å; Q615-D617 PolarHBondContact O-N 3.17Å; Q615-S618 WeakPolarHBondContact O-CB 3.2Å; Q615-S618 PolarHBondContact O-N 2.99Å; Q615-S618 PolarHBondContact O-OG 3.23Å; Q615-Y623 PolarHBondContact O-OH 2.79Å
616	P	64.1	Low	75.7	Confident	62 Å²	62	37.2 Å²	37.2	40%	0.403	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28	173.5	15.7	-23.9	0	0	0	113.3	S618 Y623 R658	P616-S618 VanDerWaalsContact C-N 3.26Å; P616-S618 PolarHBondContact O-N 3.47Å; P616-Y623 PolarHBondContact O-OH 3.3Å; P616-R658 PolarHBondContact O-NE 2.69Å; P616-R658 PolarHBondContact O-NH1 3.48Å
617	D	64.1	Low	75.6	Confident	128 Å²	128	35.7 Å²	35.7	68%	0.684	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	38.7	178.9	-56.7	-28.9	0	0	0	112.1	Q615 R658	Q615-D617 PolarHBondContact NE2-O 3.42Å; Q615-D617 PolarHBondContact O-N 3.17Å; D617-R658 IonicContact OD1-NH1 3.18Å
618	S	71.1	Confident	75.6	Confident	9 Å²	9	40.2 Å²	40.2	6%	0.063	21%	0.213	C	C	.	.			trans	-71.5	153.3	177.7	-72.8	0	0	0	0	111.4	M611 Q615 P616 Y623	M611-S618 PolarHBondContact O-OG 3.02Å; Q615-S618 WeakPolarHBondContact O-CB 3.2Å; Q615-S618 PolarHBondContact O-N 2.99Å; Q615-S618 PolarHBondContact O-OG 3.23Å; P616-S618 VanDerWaalsContact C-N 3.26Å; P616-S618 PolarHBondContact O-N 3.47Å; S618-Y623 WeakPolarHBondContact O-CE2 3.13Å
619	P	74.9	Confident	75.5	Confident	36 Å²	36	42.1 Å²	42.1	23%	0.234	22%	0.224	C	C	.	.			trans	-53.6	143.7	173.7	-22.5	28.4	0	0	0	112.9	N589 E591 G621 I622	N589-P619 WeakPolarHBondContact OD1-CG 3.4Å; E591-P619 HydrophobicContact CB-CB 4.37Å; P619-G621 PolarHBondContact O-N 3.38Å; P619-I622 HydrophobicContact CG-CD1 4.32Å; P619-I622 WeakPolarHBondContact O-CB 2.79Å; P619-I622 PolarHBondContact O-N 3.38Å; P619-I622 VanDerWaalsContact O-N 3.08Å
620	Q	73.8	Confident	75.5	Confident	49 Å²	49	41.4 Å²	41.4	23%	0.229	22%	0.218	C	C	.	.	H	α-helix	trans	-55.2	-35.5	178.6	-69.7	-64	-23.2	0	0	112.7	I622 Y623 D624 R658 V662	Q620-I622 PolarHBondContact O-N 2.68Å; Q620-I622 VanDerWaalsContact O-N 3.1Å; Q620-Y623 CarbonylContact O-C 3.52Å; Q620-Y623 PolarHBondContact O-N 2.99Å; Q620-D624 PolarHBondContact O-N 2.84Å; Q620-R658 PolarHBondContact NE2-O 3.43Å; Q620-R658 PolarHBondContact OE1-O 2.79Å; Q620-V662 HydrophobicContact CG-CB 4.4Å; Q620-V662 HydrophobicContact CG-CG2 4.34Å
621	G	72.8	Confident	75.5	Confident	5 Å²	5	38.8 Å²	38.8	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-57.9	-27.1	179.2	0	0	0	0	0	114.4	P619 T625	P619-G621 PolarHBondContact O-N 3.38Å; G621-T625 VanDerWaalsContact O-CB 3.27Å; G621-T625 WeakPolarHBondContact O-CB 3.34Å; G621-T625 PolarHBondContact O-N 3.41Å; G621-T625 PolarHBondContact O-OG1 2.98Å
622	I	78.9	Confident	75.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-73.1	-44.2	174.4	-70.6	168.1	0	0	0	110.9	S590 I594 L608 M611 P619 Q620 L626	S590-I622 WeakPolarHBondContact OG-CD1 3.5Å; I594-I622 HydrophobicContact CD1-CG1 4.44Å; L608-I622 HydrophobicContact CD2-CB 4.27Å; L608-I622 HydrophobicContact CD2-CG1 4.14Å; L608-I622 HydrophobicContact CD2-CG2 3.77Å; M611-I622 HydrophobicContact CB-CD1 4.48Å; M611-I622 HydrophobicContact CB-CG2 4.48Å; P619-I622 HydrophobicContact CG-CD1 4.32Å; P619-I622 WeakPolarHBondContact O-CB 2.79Å; P619-I622 PolarHBondContact O-N 3.38Å; P619-I622 VanDerWaalsContact O-N 3.08Å; Q620-I622 PolarHBondContact O-N 2.68Å; Q620-I622 VanDerWaalsContact O-N 3.1Å; I622-L626 WeakPolarHBondContact O-CB 3.46Å; I622-L626 PolarHBondContact O-N 2.76Å
623	Y	76.3	Confident	75.7	Confident	8 Å²	8	44.6 Å²	44.6	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-68.8	-37.5	177.4	-63.1	-65.6	0	0	0	111.3	Q615 P616 S618 Q620 L626 L627 L653	Q615-Y623 PolarHBondContact O-OH 2.79Å; P616-Y623 PolarHBondContact O-OH 3.3Å; S618-Y623 WeakPolarHBondContact O-CE2 3.13Å; Q620-Y623 CarbonylContact O-C 3.52Å; Q620-Y623 PolarHBondContact O-N 2.99Å; Y623-L626 PolarHBondContact O-N 3.22Å; Y623-L627 WeakPolarHBondContact O-CB 3.41Å; Y623-L627 PolarHBondContact O-N 2.9Å; Y623-L653 HydrophobicContact CD1-CD1 4.23Å
624	D	77.8	Confident	76	Confident	13 Å²	13	39 Å²	39	7%	0.07	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-50.9	172.8	-71.5	-20.4	0	0	0	111	Q620 L626 L627 E628 K665	Q620-D624 PolarHBondContact O-N 2.84Å; D624-L626 VanDerWaalsContact C-N 3.34Å; D624-L626 PolarHBondContact O-N 2.89Å; D624-L627 PolarHBondContact O-N 2.78Å; D624-E628 WeakPolarHBondContact O-CB 3.25Å; D624-E628 PolarHBondContact O-N 3.26Å; D624-K665 WeakPolarHBondContact OD2-CD 3.45Å
625	T	79.5	Confident	76.1	Confident	30 Å²	30	38 Å²	38	18%	0.184	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-36.7	179.2	-53.3	0	0	0	0	111.4	I594 L608 G621 L629	I594-T625 HydrophobicContact CG2-CG2 4.44Å; L608-T625 HydrophobicContact CD1-CG2 4.07Å; G621-T625 VanDerWaalsContact O-CB 3.27Å; G621-T625 WeakPolarHBondContact O-CB 3.34Å; G621-T625 PolarHBondContact O-N 3.41Å; G621-T625 PolarHBondContact O-OG1 2.98Å; T625-L629 HydrophobicContact CG2-CD1 4.31Å; T625-L629 WeakPolarHBondContact O-CB 3.35Å; T625-L629 VanDerWaalsContact O-CG 3.23Å; T625-L629 WeakPolarHBondContact O-CG 3.11Å; T625-L629 PolarHBondContact O-N 3.49Å
626	L	80.6	Confident	76.6	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-68.7	-39.5	175	-177.7	62.7	0	0	0	111.4	L608 I622 Y623 D624 R630 L653	L608-L626 HydrophobicContact CB-CD1 4.29Å; I622-L626 WeakPolarHBondContact O-CB 3.46Å; I622-L626 PolarHBondContact O-N 2.76Å; Y623-L626 PolarHBondContact O-N 3.22Å; D624-L626 VanDerWaalsContact C-N 3.34Å; D624-L626 PolarHBondContact O-N 2.89Å; L626-R630 WeakPolarHBondContact O-CB 3.26Å; L626-R630 VanDerWaalsContact O-CG 3.25Å; L626-R630 WeakPolarHBondContact O-CG 3.32Å; L626-R630 PolarHBondContact O-N 2.82Å; L626-L653 HydrophobicContact CD2-CD2 4.31Å; L626-L653 HydrophobicContact CG-CD2 4.28Å
627	L	78.9	Confident	77.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.2	-44.1	174.7	-179.8	65.3	0	0	0	110.4	Y623 D624 R630 L631 L653 L654 F659 A666 L669	Y623-L627 WeakPolarHBondContact O-CB 3.41Å; Y623-L627 PolarHBondContact O-N 2.9Å; D624-L627 PolarHBondContact O-N 2.78Å; L627-R630 PolarHBondContact O-N 2.95Å; L627-L631 HydrophobicContact CD1-CD1 3.99Å; L627-L631 HydrophobicContact CD1-CG 3.99Å; L627-L631 HydrophobicContact CD2-CD1 4.39Å; L627-L631 HydrophobicContact CG-CD1 3.8Å; L627-L631 HydrophobicContact CG-CG 4.2Å; L627-L631 VanDerWaalsContact O-CB 3.31Å; L627-L631 WeakPolarHBondContact O-CB 3.27Å; L627-L631 VanDerWaalsContact O-CG 3.27Å; L627-L631 WeakPolarHBondContact O-CG 3.31Å; L627-L631 PolarHBondContact O-N 2.99Å; L627-L653 HydrophobicContact CB-CD2 4.17Å; L627-L653 HydrophobicContact CD1-CD2 4.35Å; L627-L654 HydrophobicContact CD1-CD2 4.46Å; L627-L654 HydrophobicContact CD1-CG 4.42Å; L627-L654 HydrophobicContact CD2-CD2 3.97Å; L627-F659 HydrophobicContact CB-CZ 4.25Å; L627-F659 HydrophobicContact CD2-CE1 4.09Å; L627-F659 HydrophobicContact CD2-CZ 3.89Å; L627-A666 HydrophobicContact CD2-CB 4.18Å; L627-L669 HydrophobicContact CD2-CD1 4.35Å
628	E	82.2	Confident	77.9	Confident	94 Å²	94	46.9 Å²	46.9	44%	0.439	23%	0.231	S	C	.	.	H	α-helix	trans	-58.7	-49.2	173.9	-174.9	178.8	-176.8	0	0	110.7	D624 R630 L631 Q632 L669	D624-E628 WeakPolarHBondContact O-CB 3.25Å; D624-E628 PolarHBondContact O-N 3.26Å; E628-R630 VanDerWaalsContact C-N 3.33Å; E628-R630 PolarHBondContact O-N 2.77Å; E628-L631 PolarHBondContact O-N 3.46Å; E628-Q632 WeakPolarHBondContact O-CB 3.07Å; E628-Q632 PolarHBondContact O-N 3.1Å; E628-L669 HydrophobicContact CB-CD1 4.36Å; E628-L669 HydrophobicContact CB-CD2 4.21Å; E628-L669 HydrophobicContact CG-CD2 4.16Å
629	L	80.1	Confident	78.3	Confident	41 Å²	41	49.8 Å²	49.8	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-38.9	175.5	-74	170.5	0	0	0	112.3	L604 L608 T625 N633	L604-L629 HydrophobicContact CD2-CD1 4.31Å; L604-L629 HydrophobicContact CG-CD1 4.49Å; L608-L629 HydrophobicContact CD1-CD1 3.65Å; T625-L629 HydrophobicContact CG2-CD1 4.31Å; T625-L629 WeakPolarHBondContact O-CB 3.35Å; T625-L629 VanDerWaalsContact O-CG 3.23Å; T625-L629 WeakPolarHBondContact O-CG 3.11Å; T625-L629 PolarHBondContact O-N 3.49Å; L629-N633 VanDerWaalsContact O-CB 3.3Å; L629-N633 WeakPolarHBondContact O-CB 3.49Å; L629-N633 PolarHBondContact O-N 3.17Å; L629-N633 PolarHBondContact O-ND2 3.33Å
630	R	80.3	Confident	78.3	Confident	52 Å²	52	52.8 Å²	52.8	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-70.9	-42.7	177.6	-76.7	-179.3	-177.4	-164.7	1.1	112.5	L626 L627 E628 N633 W634 E649	L626-R630 WeakPolarHBondContact O-CB 3.26Å; L626-R630 VanDerWaalsContact O-CG 3.25Å; L626-R630 WeakPolarHBondContact O-CG 3.32Å; L626-R630 PolarHBondContact O-N 2.82Å; L627-R630 PolarHBondContact O-N 2.95Å; E628-R630 VanDerWaalsContact C-N 3.33Å; E628-R630 PolarHBondContact O-N 2.77Å; R630-N633 PolarHBondContact O-N 2.94Å; R630-W634 WeakPolarHBondContact O-CB 3.27Å; R630-W634 PolarHBondContact O-N 2.85Å; R630-E649 PolarHBondContact NH1-O 2.81Å
631	L	80	Confident	78.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-38.4	176.8	-71.6	175.8	0	0	0	111.3	L627 E628 W634 A635 A650 L669 F675	L627-L631 HydrophobicContact CD1-CD1 3.99Å; L627-L631 HydrophobicContact CD1-CG 3.99Å; L627-L631 HydrophobicContact CD2-CD1 4.39Å; L627-L631 HydrophobicContact CG-CD1 3.8Å; L627-L631 HydrophobicContact CG-CG 4.2Å; L627-L631 VanDerWaalsContact O-CB 3.31Å; L627-L631 WeakPolarHBondContact O-CB 3.27Å; L627-L631 VanDerWaalsContact O-CG 3.27Å; L627-L631 WeakPolarHBondContact O-CG 3.31Å; L627-L631 PolarHBondContact O-N 2.99Å; E628-L631 PolarHBondContact O-N 3.46Å; L631-W634 PolarHBondContact O-N 3.35Å; L631-A635 VanDerWaalsContact O-CB 3.22Å; L631-A635 WeakPolarHBondContact O-CB 3.15Å; L631-A635 PolarHBondContact O-N 3.47Å; L631-A650 HydrophobicContact CD2-CB 4.36Å; L631-L669 HydrophobicContact CD1-CB 4.11Å; L631-F675 HydrophobicContact CD2-CD2 4.39Å; L631-F675 HydrophobicContact CD2-CG 4.44Å
632	Q	79.4	Confident	78.5	Confident	82 Å²	82	59.6 Å²	59.6	38%	0.383	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-44.8	172.8	-174.1	176.1	20	0	0	111.1	E628 A635 H636	E628-Q632 WeakPolarHBondContact O-CB 3.07Å; E628-Q632 PolarHBondContact O-N 3.1Å; Q632-A635 PolarHBondContact O-N 3.08Å; Q632-H636 WeakPolarHBondContact O-CB 3.5Å; Q632-H636 PolarHBondContact O-CD2 3.47Å; Q632-H636 VanDerWaalsContact O-CD2 3.23Å; Q632-H636 PolarHBondContact O-N 3.23Å
633	N	78.2	Confident	78.5	Confident	77 Å²	77	63 Å²	63	41%	0.412	31%	0.314	S	S	.	.	H	α-helix	trans	-62.5	-42.1	173.4	-72.3	-30.3	0	0	0	111.5	L629 R630 H636 E637 L646	L629-N633 VanDerWaalsContact O-CB 3.3Å; L629-N633 WeakPolarHBondContact O-CB 3.49Å; L629-N633 PolarHBondContact O-N 3.17Å; L629-N633 PolarHBondContact O-ND2 3.33Å; R630-N633 PolarHBondContact O-N 2.94Å; N633-H636 PolarHBondContact O-N 2.9Å; N633-E637 VanDerWaalsContact O-CB 3.26Å; N633-E637 WeakPolarHBondContact O-CB 3.35Å; N633-E637 PolarHBondContact O-N 3.18Å; N633-L646 HydrophobicContact CB-CD1 4.48Å
634	W	82.2	Confident	78.6	Confident	36 Å²	36	69.4 Å²	69.4	14%	0.136	35%	0.345	C	S	.	.	H	α-helix	trans	-65.3	-39.4	176.8	173.9	84.3	0	0	0	113.4	R630 L631 K643 L646 H647 H673 F675	R630-W634 WeakPolarHBondContact O-CB 3.27Å; R630-W634 PolarHBondContact O-N 2.85Å; L631-W634 PolarHBondContact O-N 3.35Å; W634-K643 VanDerWaalsContact CD1-O 3.25Å; W634-K643 HydrophobicContact CG-CG 4.39Å; W634-K643 PolarHBondContact NE1-O 3.38Å; W634-L646 HydrophobicContact CB-CB 4.14Å; W634-H647 AromaticContact NE1-CD2 3.81Å; W634-H673 WeakPolarHBondContact CZ3-O 3.35Å; W634-F675 HydrophobicContact CH2-CD2 4.32Å; W634-F675 HydrophobicContact CZ2-CD2 4.5Å
635	A	76.7	Confident	78.7	Confident	45 Å²	45	75.3 Å²	75.3	37%	0.372	37%	0.369	S	S	.	.	H	α-helix	trans	-71.2	-33.8	179	0	0	0	0	0	112.1	L631 Q632	L631-A635 VanDerWaalsContact O-CB 3.22Å; L631-A635 WeakPolarHBondContact O-CB 3.15Å; L631-A635 PolarHBondContact O-N 3.47Å; Q632-A635 PolarHBondContact O-N 3.08Å
636	H	76.9	Confident	78.7	Confident	138 Å²	138	75.2 Å²	75.2	64%	0.639	37%	0.368	S	S	*	.	H	α-helix	trans	-86.7	-15.7	177.8	-68.8	-39.4	0	0	0	114.3	Q632 N633	Q632-H636 WeakPolarHBondContact O-CB 3.5Å; Q632-H636 PolarHBondContact O-CD2 3.47Å; Q632-H636 VanDerWaalsContact O-CD2 3.23Å; Q632-H636 PolarHBondContact O-N 3.23Å; N633-H636 PolarHBondContact O-N 2.9Å
637	E	80.9	Confident	78.6	Confident	72 Å²	72	77.6 Å²	77.6	34%	0.336	38%	0.379	S	S	.	.			trans	-74.5	131.9	179.3	-170	56	-98.7	0	0	112.1	N633 D639 V642 L646	N633-E637 VanDerWaalsContact O-CB 3.26Å; N633-E637 WeakPolarHBondContact O-CB 3.35Å; N633-E637 PolarHBondContact O-N 3.18Å; E637-D639 PolarHBondContact OE1-N 3.31Å; E637-V642 HydrophobicContact CG-CB 3.96Å; E637-V642 HydrophobicContact CG-CG1 3.89Å; E637-L646 HydrophobicContact CB-CD1 4.02Å; E637-L646 HydrophobicContact CG-CD1 4.16Å
638	K	73.4	Confident	78.7	Confident	194 Å²	194	80.2 Å²	80.2	84%	0.843	40%	0.401	S	S	*	.			trans	-103.6	-18.9	-177.1	-66.2	-177	-178.5	178.2	0	112.8
639	D	80.2	Confident	78.5	Confident	70 Å²	70	80 Å²	80	37%	0.374	40%	0.4	S	S	.	.			trans	-78.5	120.3	178.3	-172.8	-28.2	0	0	0	110.9	E637 Q641 V642 K643	E637-D639 PolarHBondContact OE1-N 3.31Å; D639-Q641 VanDerWaalsContact C-N 3.31Å; D639-Q641 PolarHBondContact O-N 3.19Å; D639-Q641 PolarHBondContact OD1-N 2.96Å; D639-V642 HydrophobicContact CB-CB 4.11Å; D639-V642 HydrophobicContact CB-CG2 3.99Å; D639-V642 PolarHBondContact O-N 3.35Å; D639-K643 WeakPolarHBondContact O-CB 3.36Å; D639-K643 PolarHBondContact O-N 3.35Å
640	P	74.9	Confident	78.5	Confident	99 Å²	99	78.1 Å²	78.1	64%	0.643	39%	0.389	S	S	*	.	H	α-helix	trans	-61.5	-33.5	-178.5	24.3	-33.3	0	0	0	113.8	E644	P640-E644 WeakPolarHBondContact O-CB 3.49Å; P640-E644 PolarHBondContact O-N 2.89Å
641	Q	74.7	Confident	78.5	Confident	142 Å²	142	77 Å²	77	66%	0.664	39%	0.387	S	S	*	.	H	α-helix	trans	-75	-36.1	-179.5	-69.1	-170.4	-7	0	0	112.2	D639 K645	D639-Q641 VanDerWaalsContact C-N 3.31Å; D639-Q641 PolarHBondContact O-N 3.19Å; D639-Q641 PolarHBondContact OD1-N 2.96Å; Q641-K645 WeakPolarHBondContact O-CG 3.45Å; Q641-K645 PolarHBondContact O-N 3.03Å
642	V	76.1	Confident	78.5	Confident	54 Å²	54	80.9 Å²	80.9	33%	0.327	41%	0.414	S	S	.	.	H	α-helix	trans	-75.2	-37.2	176.2	-176.2	0	0	0	0	109.9	E637 D639 E644 K645 L646	E637-V642 HydrophobicContact CG-CB 3.96Å; E637-V642 HydrophobicContact CG-CG1 3.89Å; D639-V642 HydrophobicContact CB-CB 4.11Å; D639-V642 HydrophobicContact CB-CG2 3.99Å; D639-V642 PolarHBondContact O-N 3.35Å; V642-E644 PolarHBondContact O-N 3.28Å; V642-K645 WeakPolarHBondContact O-CB 3.42Å; V642-K645 PolarHBondContact O-N 3.3Å; V642-L646 HydrophobicContact CG1-CD1 4.12Å; V642-L646 HydrophobicContact CG1-CG 4.39Å; V642-L646 WeakPolarHBondContact O-CG 3.34Å; V642-L646 PolarHBondContact O-N 2.73Å
643	K	78.4	Confident	78.5	Confident	72 Å²	72	77.8 Å²	77.8	31%	0.313	40%	0.4	S	S	.	.	H	α-helix	trans	-63	-39.4	175.8	-169.3	169.8	-173.8	167.8	0	112.4	W634 D639 L646 H647	W634-K643 VanDerWaalsContact CD1-O 3.25Å; W634-K643 HydrophobicContact CG-CG 4.39Å; W634-K643 PolarHBondContact NE1-O 3.38Å; D639-K643 WeakPolarHBondContact O-CB 3.36Å; D639-K643 PolarHBondContact O-N 3.35Å; K643-L646 PolarHBondContact O-N 3.44Å; K643-H647 WeakPolarHBondContact O-CB 3.22Å; K643-H647 PolarHBondContact O-N 3.24Å
644	E	78.9	Confident	78.4	Confident	143 Å²	143	74.2 Å²	74.2	67%	0.668	38%	0.381	S	S	*	.	H	α-helix	trans	-67.7	-35.8	175.1	-167.6	172.4	-169	0	0	112.4	P640 V642 H647 A648	P640-E644 WeakPolarHBondContact O-CB 3.49Å; P640-E644 PolarHBondContact O-N 2.89Å; V642-E644 PolarHBondContact O-N 3.28Å; E644-H647 WeakPolarHBondContact O-CB 3.41Å; E644-H647 PolarHBondContact O-N 3.38Å; E644-A648 WeakPolarHBondContact O-CB 3.37Å; E644-A648 PolarHBondContact O-N 3.22Å
645	K	79.4	Confident	78.1	Confident	136 Å²	136	78.9 Å²	78.9	59%	0.591	40%	0.403	S	S	*	.	H	α-helix	trans	-65.3	-48.3	172.3	-71.5	176.2	-177.8	179.2	0	112	Q641 V642 H647 A648 E649	Q641-K645 WeakPolarHBondContact O-CG 3.45Å; Q641-K645 PolarHBondContact O-N 3.03Å; V642-K645 WeakPolarHBondContact O-CB 3.42Å; V642-K645 PolarHBondContact O-N 3.3Å; K645-H647 VanDerWaalsContact C-N 3.26Å; K645-H647 PolarHBondContact O-N 3.42Å; K645-A648 PolarHBondContact O-N 2.84Å; K645-E649 WeakPolarHBondContact O-CG 3.32Å; K645-E649 PolarHBondContact O-N 3.48Å
646	L	79.6	Confident	77.9	Confident	28 Å²	28	79.5 Å²	79.5	15%	0.147	40%	0.404	C	S	.	.	H	α-helix	trans	-62.1	-35.7	175.9	-69.1	172.4	0	0	0	111.7	N633 W634 E637 V642 K643 E649 A650	N633-L646 HydrophobicContact CB-CD1 4.48Å; W634-L646 HydrophobicContact CB-CB 4.14Å; E637-L646 HydrophobicContact CB-CD1 4.02Å; E637-L646 HydrophobicContact CG-CD1 4.16Å; V642-L646 HydrophobicContact CG1-CD1 4.12Å; V642-L646 HydrophobicContact CG1-CG 4.39Å; V642-L646 WeakPolarHBondContact O-CG 3.34Å; V642-L646 PolarHBondContact O-N 2.73Å; K643-L646 PolarHBondContact O-N 3.44Å; L646-E649 PolarHBondContact O-N 2.93Å; L646-A650 WeakPolarHBondContact O-CB 3.2Å; L646-A650 PolarHBondContact O-N 3.31Å
647	H	80.2	Confident	77.3	Confident	54 Å²	54	74.7 Å²	74.7	25%	0.25	39%	0.392	C	S	.	.	H	α-helix	trans	-62.5	-49	173.1	-174.5	-88	0	0	0	111.3	W634 K643 E644 K645 E649 A650 I651 F675	W634-H647 AromaticContact NE1-CD2 3.81Å; K643-H647 WeakPolarHBondContact O-CB 3.22Å; K643-H647 PolarHBondContact O-N 3.24Å; E644-H647 WeakPolarHBondContact O-CB 3.41Å; E644-H647 PolarHBondContact O-N 3.38Å; K645-H647 VanDerWaalsContact C-N 3.26Å; K645-H647 PolarHBondContact O-N 3.42Å; H647-E649 VanDerWaalsContact C-N 3.32Å; H647-E649 PolarHBondContact O-N 3.43Å; H647-A650 PolarHBondContact O-N 2.91Å; H647-I651 WeakPolarHBondContact CE1-CD1 3.36Å; H647-I651 WeakPolarHBondContact O-CG1 3.42Å; H647-I651 PolarHBondContact O-N 3.23Å; H647-F675 AromaticContact CD2-CE2 3.43Å; H647-F675 VanDerWaalsContact CD2-CE2 3.43Å; H647-F675 WeakPolarHBondContact CD2-CE2 3.23Å; H647-F675 AromaticContact NE2-CE2 3.43Å; H647-F675 WeakPolarHBondContact NE2-CE2 3.21Å; H647-F675 AromaticContact NE2-CZ 3.87Å
648	A	79.2	Confident	76.7	Confident	56 Å²	56	75.1 Å²	75.1	46%	0.463	39%	0.39	S	S	.	.	H	α-helix	trans	-62.1	-39	176.5	0	0	0	0	0	112.2	E644 K645 S652	E644-A648 WeakPolarHBondContact O-CB 3.37Å; E644-A648 PolarHBondContact O-N 3.22Å; K645-A648 PolarHBondContact O-N 2.84Å; A648-S652 WeakPolarHBondContact O-CB 3.2Å; A648-S652 PolarHBondContact O-N 2.82Å
649	E	78.8	Confident	76.4	Confident	90 Å²	90	66.1 Å²	66.1	42%	0.421	35%	0.351	S	S	.	.	H	α-helix	trans	-67.4	-37.2	176.4	-73.4	172.3	-164.4	0	0	112.9	R630 K645 L646 H647 L653	R630-E649 PolarHBondContact NH1-O 2.81Å; K645-E649 WeakPolarHBondContact O-CG 3.32Å; K645-E649 PolarHBondContact O-N 3.48Å; L646-E649 PolarHBondContact O-N 2.93Å; H647-E649 VanDerWaalsContact C-N 3.32Å; H647-E649 PolarHBondContact O-N 3.43Å; E649-L653 WeakPolarHBondContact O-CB 3.36Å; E649-L653 PolarHBondContact O-N 2.97Å
650	A	79.7	Confident	75.4	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-69.8	-43.9	174.8	0	0	0	0	0	111.6	L631 L646 H647 L653 L654	L631-A650 HydrophobicContact CD2-CB 4.36Å; L646-A650 WeakPolarHBondContact O-CB 3.2Å; L646-A650 PolarHBondContact O-N 3.31Å; H647-A650 PolarHBondContact O-N 2.91Å; A650-L653 WeakPolarHBondContact O-CB 3.48Å; A650-L653 PolarHBondContact O-N 3.21Å; A650-L654 WeakPolarHBondContact O-CG 3.49Å; A650-L654 PolarHBondContact O-N 2.71Å
651	I	80.4	Confident	74.6	Confident	30 Å²	30	67.3 Å²	67.3	15%	0.154	36%	0.355	C	S	.	.	H	α-helix	trans	-62.9	-42.9	173.5	-70.4	-173.2	0	0	0	111.2	H647 L653 L654 K655 F675 D677	H647-I651 WeakPolarHBondContact CE1-CD1 3.36Å; H647-I651 WeakPolarHBondContact O-CG1 3.42Å; H647-I651 PolarHBondContact O-N 3.23Å; I651-L653 PolarHBondContact O-N 3.31Å; I651-L654 PolarHBondContact O-N 3.17Å; I651-K655 HydrophobicContact CG2-CD 3.62Å; I651-K655 VanDerWaalsContact CG2-CE 3.43Å; I651-K655 HydrophobicContact CG2-CG 4.05Å; I651-K655 WeakPolarHBondContact O-CB 3.46Å; I651-K655 WeakPolarHBondContact O-CG 3.47Å; I651-K655 PolarHBondContact O-N 2.92Å; I651-F675 HydrophobicContact CD1-CZ 3.95Å; I651-F675 HydrophobicContact CG1-CE1 4.05Å; I651-F675 HydrophobicContact CG1-CZ 3.46Å; I651-F675 VanDerWaalsContact CG1-CZ 3.46Å; I651-D677 HydrophobicContact CD1-CB 4.4Å
652	S	80.8	Confident	74	Confident	81 Å²	81	63.6 Å²	63.6	57%	0.566	34%	0.342	S	S	*	.	H	α-helix	trans	-61.3	-36.2	177.7	-174.3	0	0	0	0	111.2	A648 S656	A648-S652 WeakPolarHBondContact O-CB 3.2Å; A648-S652 PolarHBondContact O-N 2.82Å; S652-S656 PolarHBondContact O-N 3.06Å; S652-S656 VanDerWaalsContact O-N 3.17Å
653	L	79	Confident	73.8	Confident	16 Å²	16	62.5 Å²	62.5	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-68.6	-43.7	175.1	-168.9	63.7	0	0	0	111	Y623 L626 L627 E649 A650 I651 S656 F659	Y623-L653 HydrophobicContact CD1-CD1 4.23Å; L626-L653 HydrophobicContact CD2-CD2 4.31Å; L626-L653 HydrophobicContact CG-CD2 4.28Å; L627-L653 HydrophobicContact CB-CD2 4.17Å; L627-L653 HydrophobicContact CD1-CD2 4.35Å; E649-L653 WeakPolarHBondContact O-CB 3.36Å; E649-L653 PolarHBondContact O-N 2.97Å; A650-L653 WeakPolarHBondContact O-CB 3.48Å; A650-L653 PolarHBondContact O-N 3.21Å; I651-L653 PolarHBondContact O-N 3.31Å; L653-S656 WeakPolarHBondContact O-CB 3.15Å; L653-S656 PolarHBondContact O-N 2.59Å; L653-S656 PolarHBondContact O-OG 3.37Å; L653-F659 HydrophobicContact CG-CE2 4.12Å; L653-F659 HydrophobicContact CG-CZ 4.45Å
654	L	76.4	Confident	73.5	Confident	3 Å²	3	64 Å²	64	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-63	-43.2	175.9	-70.9	169.7	0	0	0	112.3	L627 A650 I651 S656 F659 F675 Y681 L682	L627-L654 HydrophobicContact CD1-CD2 4.46Å; L627-L654 HydrophobicContact CD1-CG 4.42Å; L627-L654 HydrophobicContact CD2-CD2 3.97Å; A650-L654 WeakPolarHBondContact O-CG 3.49Å; A650-L654 PolarHBondContact O-N 2.71Å; I651-L654 PolarHBondContact O-N 3.17Å; L654-S656 PolarHBondContact O-N 3.29Å; L654-F659 HydrophobicContact CD2-CD2 3.95Å; L654-F659 HydrophobicContact CD2-CE2 4.04Å; L654-F659 HydrophobicContact CD2-CG 4.44Å; L654-F675 HydrophobicContact CD1-CD1 4.1Å; L654-F675 HydrophobicContact CD1-CE1 3.67Å; L654-Y681 HydrophobicContact CB-CD1 4.47Å; L654-Y681 VanDerWaalsContact O-CE1 3.31Å; L654-Y681 WeakPolarHBondContact O-CE1 3.38Å; L654-L682 HydrophobicContact CD2-CD2 4.45Å
655	K	76.4	Confident	73.2	Confident	134 Å²	134	62.9 Å²	62.9	58%	0.583	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-5.4	179.4	-70.5	-177.4	-179.6	171.6	0	114.4	I651 G657 Y681	I651-K655 HydrophobicContact CG2-CD 3.62Å; I651-K655 VanDerWaalsContact CG2-CE 3.43Å; I651-K655 HydrophobicContact CG2-CG 4.05Å; I651-K655 WeakPolarHBondContact O-CB 3.46Å; I651-K655 WeakPolarHBondContact O-CG 3.47Å; I651-K655 PolarHBondContact O-N 2.92Å; K655-G657 PolarHBondContact O-N 3.36Å; K655-G657 VanDerWaalsContact O-N 3.08Å; K655-Y681 HydrophobicContact CG-CE2 4.22Å
656	S	71.4	Confident	73.1	Confident	57 Å²	57	56.4 Å²	56.4	40%	0.399	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-1.6	179.3	70.9	0	0	0	0	113.9	S652 L653 L654 R658	S652-S656 PolarHBondContact O-N 3.06Å; S652-S656 VanDerWaalsContact O-N 3.17Å; L653-S656 WeakPolarHBondContact O-CB 3.15Å; L653-S656 PolarHBondContact O-N 2.59Å; L653-S656 PolarHBondContact O-OG 3.37Å; L654-S656 PolarHBondContact O-N 3.29Å; S656-R658 PolarHBondContact O-N 3.18Å; S656-R658 WeakPolarHBondContact OG-CG 3.23Å
657	G	64.8	Low	73	Confident	37 Å²	37	55.9 Å²	55.9	38%	0.381	31%	0.307	S	S	.	.	S	Bend	trans	75.1	8	-179.5	0	0	0	0	0	113.7	K655 C660	K655-G657 PolarHBondContact O-N 3.36Å; K655-G657 VanDerWaalsContact O-N 3.08Å; G657-C660 PolarHBondContact O-SG 3.39Å
658	R	67.2	Low	72.9	Confident	82 Å²	82	56.9 Å²	56.9	31%	0.309	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-22.5	-175.8	-61.5	-69.3	172.9	-163.2	-6.8	113.3	P616 D617 Q620 S656	P616-R658 PolarHBondContact O-NE 2.69Å; P616-R658 PolarHBondContact O-NH1 3.48Å; D617-R658 IonicContact OD1-NH1 3.18Å; Q620-R658 PolarHBondContact NE2-O 3.43Å; Q620-R658 PolarHBondContact OE1-O 2.79Å; S656-R658 PolarHBondContact O-N 3.18Å; S656-R658 WeakPolarHBondContact OG-CG 3.23Å
659	F	67.5	Low	72.8	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.018	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	10.3	-178.9	-60.8	-83.2	0	0	0	114	L627 L653 L654 D661 F663 A666 L682	L627-F659 HydrophobicContact CB-CZ 4.25Å; L627-F659 HydrophobicContact CD2-CE1 4.09Å; L627-F659 HydrophobicContact CD2-CZ 3.89Å; L653-F659 HydrophobicContact CG-CE2 4.12Å; L653-F659 HydrophobicContact CG-CZ 4.45Å; L654-F659 HydrophobicContact CD2-CD2 3.95Å; L654-F659 HydrophobicContact CD2-CE2 4.04Å; L654-F659 HydrophobicContact CD2-CG 4.44Å; F659-D661 VanDerWaalsContact C-N 3.34Å; F659-D661 PolarHBondContact O-N 3.32Å; F659-F663 WeakPolarHBondContact O-CB 3.32Å; F659-A666 HydrophobicContact CB-CB 4.46Å; F659-A666 HydrophobicContact CD1-CB 3.6Å; F659-A666 HydrophobicContact CE1-CB 4.05Å; F659-A666 HydrophobicContact CG-CB 4.15Å; F659-L682 HydrophobicContact CB-CD2 4.19Å
660	C	59.7	Low	72.8	Confident	48 Å²	48	51 Å²	51	32%	0.324	28%	0.28	S	S	.	.	S	Bend	trans	-65.4	-32.2	-172.6	-65.4	0	0	0	0	114	G657	G657-C660 PolarHBondContact O-SG 3.39Å
661	D	57.9	Low	72.6	Confident	147 Å²	147	55.3 Å²	55.3	79%	0.786	30%	0.3	S	S	*	.	S	Bend	trans	-91.9	-28.9	-175.5	-62.5	-37.8	0	0	0	113.6	F659	F659-D661 VanDerWaalsContact C-N 3.34Å; F659-D661 PolarHBondContact O-N 3.32Å
662	V	62.2	Low	72.5	Confident	63 Å²	63	60.5 Å²	60.5	38%	0.382	33%	0.325	S	S	.	.			trans	-135.6	75.8	-176.2	-170.9	0	0	0	0	109.1	Q620	Q620-V662 HydrophobicContact CG-CB 4.4Å; Q620-V662 HydrophobicContact CG-CG2 4.34Å
663	F	70.9	Confident	72.2	Confident	31 Å²	31	59 Å²	59	14%	0.136	31%	0.309	C	S	.	.			trans	-90.7	-12.3	-175.2	63.2	-91.9	0	0	0	114.3	F659 K665 A666 L667 L682 G686 L688	F659-F663 WeakPolarHBondContact O-CB 3.32Å; F663-K665 PolarHBondContact O-N 3.25Å; F663-A666 PolarHBondContact O-N 3.27Å; F663-L667 VanDerWaalsContact O-CB 3.23Å; F663-L667 WeakPolarHBondContact O-CB 3.43Å; F663-L667 PolarHBondContact O-N 2.83Å; F663-L682 HydrophobicContact CB-CD2 4.04Å; F663-G686 VanDerWaalsContact CE1-CA 3.48Å; F663-L688 HydrophobicContact CE2-CD1 3.57Å; F663-L688 HydrophobicContact CE2-CG 4.48Å; F663-L688 HydrophobicContact CZ-CD1 3.67Å; F663-L688 HydrophobicContact CZ-CG 4.15Å
664	D	73.1	Confident	71.9	Confident	104 Å²	104	65 Å²	65	56%	0.556	34%	0.341	S	S	*	.	H	α-helix	trans	-61.3	-44	-175	-65.1	-41.3	0	0	0	113.1	L667 V668	D664-L667 WeakPolarHBondContact O-CB 3.34Å; D664-L667 PolarHBondContact O-N 3.46Å; D664-V668 WeakPolarHBondContact O-CG2 3.48Å; D664-V668 PolarHBondContact O-N 2.81Å
665	K	73.3	Confident	72.1	Confident	119 Å²	119	65 Å²	65	52%	0.517	34%	0.341	S	S	.	.	H	α-helix	trans	-68.9	-44.4	178.1	-72.5	-177.6	179.5	178.7	0	111.8	D624 F663 L667 V668 L669	D624-K665 WeakPolarHBondContact OD2-CD 3.45Å; F663-K665 PolarHBondContact O-N 3.25Å; K665-L667 PolarHBondContact O-N 2.8Å; K665-V668 PolarHBondContact O-N 3.45Å; K665-L669 WeakPolarHBondContact O-CG 3.35Å; K665-L669 PolarHBondContact O-N 2.89Å
666	A	75.6	Confident	72	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-60.9	-36.8	174.9	0	0	0	0	0	111.6	L627 F659 F663 L669 C670 L682	L627-A666 HydrophobicContact CD2-CB 4.18Å; F659-A666 HydrophobicContact CB-CB 4.46Å; F659-A666 HydrophobicContact CD1-CB 3.6Å; F659-A666 HydrophobicContact CE1-CB 4.05Å; F659-A666 HydrophobicContact CG-CB 4.15Å; F663-A666 PolarHBondContact O-N 3.27Å; A666-L669 PolarHBondContact O-N 3.32Å; A666-C670 WeakPolarHBondContact O-CB 3.43Å; A666-C670 PolarHBondContact O-N 2.88Å; A666-C670 PolarHBondContact O-SG 3.38Å; A666-L682 HydrophobicContact CB-CD1 3.89Å; A666-L682 HydrophobicContact CB-CD2 4.48Å
667	L	77.8	Confident	72.2	Confident	18 Å²	18	67.3 Å²	67.3	9%	0.094	35%	0.351	C	S	.	.	H	α-helix	trans	-65.2	-46.2	174.9	-179.1	68.8	0	0	0	111.2	F663 D664 K665 C670 Q671 V679 L682 Y683	F663-L667 VanDerWaalsContact O-CB 3.23Å; F663-L667 WeakPolarHBondContact O-CB 3.43Å; F663-L667 PolarHBondContact O-N 2.83Å; D664-L667 WeakPolarHBondContact O-CB 3.34Å; D664-L667 PolarHBondContact O-N 3.46Å; K665-L667 PolarHBondContact O-N 2.8Å; L667-C670 PolarHBondContact O-N 3.49Å; L667-Q671 HydrophobicContact CD1-CG 4.42Å; L667-Q671 WeakPolarHBondContact O-CB 3.27Å; L667-Q671 VanDerWaalsContact O-CG 3.27Å; L667-Q671 WeakPolarHBondContact O-CG 3.36Å; L667-Q671 PolarHBondContact O-N 3.43Å; L667-V679 HydrophobicContact CD1-CB 4.25Å; L667-V679 HydrophobicContact CD1-CG1 3.89Å; L667-V679 HydrophobicContact CD1-CG2 4.14Å; L667-L682 HydrophobicContact CB-CD1 4.08Å; L667-L682 HydrophobicContact CD1-CB 4.46Å; L667-L682 HydrophobicContact CD1-CD1 4.46Å; L667-Y683 HydrophobicContact CD1-CD1 4.45Å; L667-Y683 HydrophobicContact CD1-CE1 3.94Å; L667-Y683 HydrophobicContact CD2-CD1 4.44Å; L667-Y683 HydrophobicContact CD2-CE1 3.65Å; L667-Y683 HydrophobicContact CG-CE1 4.47Å
668	V	78.9	Confident	72.7	Confident	75 Å²	75	65.7 Å²	65.7	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-45.8	175.5	171.2	0	0	0	0	110.8	D664 K665 C670 Q671 M672	D664-V668 WeakPolarHBondContact O-CG2 3.48Å; D664-V668 PolarHBondContact O-N 2.81Å; K665-V668 PolarHBondContact O-N 3.45Å; V668-C670 VanDerWaalsContact C-N 3.35Å; V668-C670 PolarHBondContact O-N 3.23Å; V668-Q671 PolarHBondContact O-N 3.41Å; V668-M672 HydrophobicContact CG1-CG 4.13Å; V668-M672 HydrophobicContact CG1-SD 3.82Å; V668-M672 WeakPolarHBondContact O-CB 3.25Å; V668-M672 VanDerWaalsContact O-CG 3.23Å; V668-M672 WeakPolarHBondContact O-CG 3.38Å; V668-M672 PolarHBondContact O-N 3.11Å
669	L	76.1	Confident	73.1	Confident	22 Å²	22	62.5 Å²	62.5	12%	0.115	32%	0.323	C	S	.	.	H	α-helix	trans	-60.9	-43.1	176.7	-70.9	172.4	0	0	0	111.7	L627 E628 L631 K665 A666 H673	L627-L669 HydrophobicContact CD2-CD1 4.35Å; E628-L669 HydrophobicContact CB-CD1 4.36Å; E628-L669 HydrophobicContact CB-CD2 4.21Å; E628-L669 HydrophobicContact CG-CD2 4.16Å; L631-L669 HydrophobicContact CD1-CB 4.11Å; K665-L669 WeakPolarHBondContact O-CG 3.35Å; K665-L669 PolarHBondContact O-N 2.89Å; A666-L669 PolarHBondContact O-N 3.32Å; L669-H673 PolarHBondContact O-CD2 3.3Å; L669-H673 VanDerWaalsContact O-CD2 3.24Å; L669-H673 PolarHBondContact O-N 2.82Å
670	C	79.3	Confident	73.5	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65.7	-41.2	175.9	-68.9	0	0	0	0	112.1	A666 L667 V668 H673 D674 F675 V679	A666-C670 WeakPolarHBondContact O-CB 3.43Å; A666-C670 PolarHBondContact O-N 2.88Å; A666-C670 PolarHBondContact O-SG 3.38Å; L667-C670 PolarHBondContact O-N 3.49Å; V668-C670 VanDerWaalsContact C-N 3.35Å; V668-C670 PolarHBondContact O-N 3.23Å; C670-H673 PolarHBondContact O-N 3.37Å; C670-D674 PolarHBondContact O-N 3.08Å; C670-F675 HydrophobicContact CB-CB 4.05Å; C670-F675 HydrophobicContact CB-CD1 4.42Å; C670-F675 WeakPolarHBondContact O-CB 3.43Å; C670-F675 PolarHBondContact O-N 2.98Å; C670-V679 HydrophobicContact CB-CG2 4.04Å
671	Q	76.6	Confident	74.3	Confident	90 Å²	90	64.8 Å²	64.8	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-68.4	-39.8	177.2	-74.7	178.9	-13.3	0	0	112.3	L667 V668 H673 D674 V679 Y683	L667-Q671 HydrophobicContact CD1-CG 4.42Å; L667-Q671 WeakPolarHBondContact O-CB 3.27Å; L667-Q671 VanDerWaalsContact O-CG 3.27Å; L667-Q671 WeakPolarHBondContact O-CG 3.36Å; L667-Q671 PolarHBondContact O-N 3.43Å; V668-Q671 PolarHBondContact O-N 3.41Å; Q671-H673 PolarHBondContact O-N 3.37Å; Q671-D674 PolarHBondContact O-N 3.23Å; Q671-V679 HydrophobicContact CG-CG2 3.86Å; Q671-Y683 PolarHBondContact NE2-OH 3.31Å
672	M	77.8	Confident	75.1	Confident	140 Å²	140	57.8 Å²	57.8	69%	0.69	29%	0.292	S	S	*	.	H	α-helix	trans	-63.1	-29.4	177.4	-77.7	-176.9	64.8	0	0	112.9	V668	V668-M672 HydrophobicContact CG1-CG 4.13Å; V668-M672 HydrophobicContact CG1-SD 3.82Å; V668-M672 WeakPolarHBondContact O-CB 3.25Å; V668-M672 VanDerWaalsContact O-CG 3.23Å; V668-M672 WeakPolarHBondContact O-CG 3.38Å; V668-M672 PolarHBondContact O-N 3.11Å
673	H	73.9	Confident	75.8	Confident	50 Å²	50	56.3 Å²	56.3	23%	0.231	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	13.6	179.7	-67.8	-68.9	0	0	0	113.7	W634 L669 C670 Q671 F675	W634-H673 WeakPolarHBondContact CZ3-O 3.35Å; L669-H673 PolarHBondContact O-CD2 3.3Å; L669-H673 VanDerWaalsContact O-CD2 3.24Å; L669-H673 PolarHBondContact O-N 2.82Å; C670-H673 PolarHBondContact O-N 3.37Å; Q671-H673 PolarHBondContact O-N 3.37Å; H673-F675 PolarHBondContact O-N 2.81Å
674	D	73.4	Confident	76	Confident	141 Å²	141	60.6 Å²	60.6	75%	0.754	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	39.1	-179.9	-68.8	-40	0	0	0	115.2	C670 Q671 Q676	C670-D674 PolarHBondContact O-N 3.08Å; Q671-D674 PolarHBondContact O-N 3.23Å; D674-Q676 PolarHBondContact O-N 3.31Å
675	F	80.2	Confident	75.9	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.018	29%	0.292	C	S	.	.			trans	-92.3	81.7	-175.3	-165.3	-101	0	0	0	113.2	L631 W634 H647 I651 L654 C670 H673 D677 G678 V679	L631-F675 HydrophobicContact CD2-CD2 4.39Å; L631-F675 HydrophobicContact CD2-CG 4.44Å; W634-F675 HydrophobicContact CH2-CD2 4.32Å; W634-F675 HydrophobicContact CZ2-CD2 4.5Å; H647-F675 AromaticContact CD2-CE2 3.43Å; H647-F675 VanDerWaalsContact CD2-CE2 3.43Å; H647-F675 WeakPolarHBondContact CD2-CE2 3.23Å; H647-F675 AromaticContact NE2-CE2 3.43Å; H647-F675 WeakPolarHBondContact NE2-CE2 3.21Å; H647-F675 AromaticContact NE2-CZ 3.87Å; I651-F675 HydrophobicContact CD1-CZ 3.95Å; I651-F675 HydrophobicContact CG1-CE1 4.05Å; I651-F675 HydrophobicContact CG1-CZ 3.46Å; I651-F675 VanDerWaalsContact CG1-CZ 3.46Å; L654-F675 HydrophobicContact CD1-CD1 4.1Å; L654-F675 HydrophobicContact CD1-CE1 3.67Å; C670-F675 HydrophobicContact CB-CB 4.05Å; C670-F675 HydrophobicContact CB-CD1 4.42Å; C670-F675 WeakPolarHBondContact O-CB 3.43Å; C670-F675 PolarHBondContact O-N 2.98Å; H673-F675 PolarHBondContact O-N 2.81Å; F675-D677 PolarHBondContact O-N 3.24Å; F675-G678 PolarHBondContact O-N 3.19Å; F675-V679 PolarHBondContact O-N 3.33Å
676	Q	74.6	Confident	75.6	Confident	143 Å²	143	54.8 Å²	54.8	67%	0.668	28%	0.276	S	S	*	.	H	α-helix	trans	-59.7	-45.5	-169.8	-64.5	-179.7	-9.8	0	0	115	D674 G678 V679 L680	D674-Q676 PolarHBondContact O-N 3.31Å; Q676-G678 VanDerWaalsContact C-N 3.26Å; Q676-G678 PolarHBondContact O-N 3.3Å; Q676-V679 PolarHBondContact O-N 3.31Å; Q676-L680 PolarHBondContact O-N 3.35Å
677	D	74.7	Confident	75.3	Confident	96 Å²	96	61.7 Å²	61.7	51%	0.513	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-31.3	-178.1	-73.8	-17.9	0	0	0	112.4	I651 F675 Y681	I651-D677 HydrophobicContact CD1-CB 4.4Å; F675-D677 PolarHBondContact O-N 3.24Å; D677-Y681 WeakPolarHBondContact O-CB 3.47Å; D677-Y681 PolarHBondContact O-N 3.31Å
678	G	75.3	Confident	75.2	Confident	2 Å²	2	64 Å²	64	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-73	-37.9	174.6	0	0	0	0	0	112.8	F675 Q676 Y681 L682	F675-G678 PolarHBondContact O-N 3.19Å; Q676-G678 VanDerWaalsContact C-N 3.26Å; Q676-G678 PolarHBondContact O-N 3.3Å; G678-Y681 PolarHBondContact O-N 3.41Å; G678-L682 WeakPolarHBondContact O-CB 3.31Å; G678-L682 WeakPolarHBondContact O-CG 3.38Å; G678-L682 PolarHBondContact O-N 3.4Å
679	V	76.7	Confident	74.9	Confident	15 Å²	15	61.2 Å²	61.2	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-47.7	179.1	171.6	0	0	0	0	111.6	L667 C670 Q671 F675 Q676 L682 Y683	L667-V679 HydrophobicContact CD1-CB 4.25Å; L667-V679 HydrophobicContact CD1-CG1 3.89Å; L667-V679 HydrophobicContact CD1-CG2 4.14Å; C670-V679 HydrophobicContact CB-CG2 4.04Å; Q671-V679 HydrophobicContact CG-CG2 3.86Å; F675-V679 PolarHBondContact O-N 3.33Å; Q676-V679 PolarHBondContact O-N 3.31Å; V679-L682 PolarHBondContact O-N 3.46Å; V679-Y683 HydrophobicContact CG1-CD2 3.92Å; V679-Y683 HydrophobicContact CG1-CE2 3.43Å; V679-Y683 VanDerWaalsContact CG1-CE2 3.43Å; V679-Y683 WeakPolarHBondContact O-CD2 3.49Å; V679-Y683 PolarHBondContact O-N 3.04Å
680	L	74.9	Confident	74.7	Confident	52 Å²	52	64 Å²	64	27%	0.272	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-43.7	178	-74.5	173.6	0	0	0	112	Q676 L682 Y683 E684 Y695	Q676-L680 PolarHBondContact O-N 3.35Å; L680-L682 VanDerWaalsContact C-N 3.35Å; L680-L682 PolarHBondContact O-N 3.08Å; L680-Y683 PolarHBondContact O-N 3.05Å; L680-E684 WeakPolarHBondContact O-CG 3.5Å; L680-E684 PolarHBondContact O-N 3.17Å; L680-E684 VanDerWaalsContact O-N 3.1Å; L680-Y695 HydrophobicContact CD2-CD1 3.82Å; L680-Y695 HydrophobicContact CD2-CE1 3.56Å; L680-Y695 HydrophobicContact CD2-CG 4.47Å; L680-Y695 HydrophobicContact CG-CE1 4.43Å
681	Y	76.9	Confident	74.4	Confident	48 Å²	48	68.6 Å²	68.6	19%	0.188	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-43.3	176.8	177.8	-102.1	0	0	0	112.1	L654 K655 D677 G678 E684 Q685	L654-Y681 HydrophobicContact CB-CD1 4.47Å; L654-Y681 VanDerWaalsContact O-CE1 3.31Å; L654-Y681 WeakPolarHBondContact O-CE1 3.38Å; K655-Y681 HydrophobicContact CG-CE2 4.22Å; D677-Y681 WeakPolarHBondContact O-CB 3.47Å; D677-Y681 PolarHBondContact O-N 3.31Å; G678-Y681 PolarHBondContact O-N 3.41Å; Y681-E684 PolarHBondContact O-N 2.95Å; Y681-Q685 HydrophobicContact CD1-CG 4.43Å; Y681-Q685 HydrophobicContact CE1-CG 3.98Å; Y681-Q685 HydrophobicContact CE2-CG 4.19Å; Y681-Q685 WeakPolarHBondContact O-CG 3.49Å; Y681-Q685 PolarHBondContact O-N 3.45Å; Y681-Q685 VanDerWaalsContact O-N 3.08Å
682	L	75.7	Confident	74.3	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-68.4	-36.5	179.3	-67.4	173.7	0	0	0	112.3	L654 F659 F663 A666 L667 G678 V679 L680 Q685 G686	L654-L682 HydrophobicContact CD2-CD2 4.45Å; F659-L682 HydrophobicContact CB-CD2 4.19Å; F663-L682 HydrophobicContact CB-CD2 4.04Å; A666-L682 HydrophobicContact CB-CD1 3.89Å; A666-L682 HydrophobicContact CB-CD2 4.48Å; L667-L682 HydrophobicContact CB-CD1 4.08Å; L667-L682 HydrophobicContact CD1-CB 4.46Å; L667-L682 HydrophobicContact CD1-CD1 4.46Å; G678-L682 WeakPolarHBondContact O-CB 3.31Å; G678-L682 WeakPolarHBondContact O-CG 3.38Å; G678-L682 PolarHBondContact O-N 3.4Å; V679-L682 PolarHBondContact O-N 3.46Å; L680-L682 VanDerWaalsContact C-N 3.35Å; L680-L682 PolarHBondContact O-N 3.08Å; L682-Q685 PolarHBondContact O-N 2.93Å; L682-G686 PolarHBondContact O-N 3.39Å
683	Y	76.9	Confident	73.9	Confident	32 Å²	32	58.2 Å²	58.2	13%	0.125	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-40.7	174	-71.7	-33	0	0	0	112.9	L667 Q671 V679 L680 G686 L688	L667-Y683 HydrophobicContact CD1-CD1 4.45Å; L667-Y683 HydrophobicContact CD1-CE1 3.94Å; L667-Y683 HydrophobicContact CD2-CD1 4.44Å; L667-Y683 HydrophobicContact CD2-CE1 3.65Å; L667-Y683 HydrophobicContact CG-CE1 4.47Å; Q671-Y683 PolarHBondContact NE2-OH 3.31Å; V679-Y683 HydrophobicContact CG1-CD2 3.92Å; V679-Y683 HydrophobicContact CG1-CE2 3.43Å; V679-Y683 VanDerWaalsContact CG1-CE2 3.43Å; V679-Y683 WeakPolarHBondContact O-CD2 3.49Å; V679-Y683 PolarHBondContact O-N 3.04Å; L680-Y683 PolarHBondContact O-N 3.05Å; Y683-G686 PolarHBondContact O-N 3.34Å; Y683-L688 HydrophobicContact CD1-CD1 4.37Å
684	E	74.9	Confident	73.9	Confident	121 Å²	121	60.3 Å²	60.3	57%	0.565	29%	0.294	S	S	*	.	H	α-helix	trans	-63.1	-41.8	175.2	-73.7	-176.5	167.2	0	0	112.2	L680 Y681 I692	L680-E684 WeakPolarHBondContact O-CG 3.5Å; L680-E684 PolarHBondContact O-N 3.17Å; L680-E684 VanDerWaalsContact O-N 3.1Å; Y681-E684 PolarHBondContact O-N 2.95Å; E684-I692 HydrophobicContact CG-CD1 4.12Å
685	Q	70.9	Confident	74	Confident	83 Å²	83	56.4 Å²	56.4	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-68.4	-40.4	177	-67.9	-57.3	-48.2	0	0	112.5	Y681 L682 K687	Y681-Q685 HydrophobicContact CD1-CG 4.43Å; Y681-Q685 HydrophobicContact CE1-CG 3.98Å; Y681-Q685 HydrophobicContact CE2-CG 4.19Å; Y681-Q685 WeakPolarHBondContact O-CG 3.49Å; Y681-Q685 PolarHBondContact O-N 3.45Å; Y681-Q685 VanDerWaalsContact O-N 3.08Å; L682-Q685 PolarHBondContact O-N 2.93Å; Q685-K687 PolarHBondContact O-N 3.1Å; Q685-K687 VanDerWaalsContact O-N 3.11Å
686	G	67.8	Low	73.7	Confident	18 Å²	18	57.2 Å²	57.2	19%	0.186	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	0.4	-178	0	0	0	0	0	115.5	F663 L682 Y683 L688	F663-G686 VanDerWaalsContact CE1-CA 3.48Å; L682-G686 PolarHBondContact O-N 3.39Å; Y683-G686 PolarHBondContact O-N 3.34Å; G686-L688 PolarHBondContact O-N 3.01Å
687	K	69.1	Low	73.8	Confident	145 Å²	145	52.2 Å²	52.2	63%	0.63	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	24.7	-174.2	-59.6	-177.1	-177.8	174.2	0	113.4	Q685 F689	Q685-K687 PolarHBondContact O-N 3.1Å; Q685-K687 VanDerWaalsContact O-N 3.11Å; K687-F689 HydrophobicContact CB-CD2 4.44Å; K687-F689 HydrophobicContact CB-CE1 4.22Å; K687-F689 HydrophobicContact CB-CE2 3.73Å; K687-F689 HydrophobicContact CB-CZ 3.6Å; K687-F689 HydrophobicContact CD-CZ 4.41Å; K687-F689 HydrophobicContact CG-CE1 4.48Å; K687-F689 HydrophobicContact CG-CE2 4.25Å; K687-F689 HydrophobicContact CG-CZ 3.76Å; K687-F689 VanDerWaalsContact O-CD2 3.29Å; K687-F689 WeakPolarHBondContact O-CD2 3.37Å; K687-F689 PolarHBondContact O-N 3.11Å
688	L	74.6	Confident	73.7	Confident	65 Å²	65	53.5 Å²	53.5	34%	0.34	25%	0.253	S	S	.	.			trans	-79.8	59.6	177.5	-67.2	175.7	0	0	0	109.2	F663 Y683 G686 Q690 Q691 I692	F663-L688 HydrophobicContact CE2-CD1 3.57Å; F663-L688 HydrophobicContact CE2-CG 4.48Å; F663-L688 HydrophobicContact CZ-CD1 3.67Å; F663-L688 HydrophobicContact CZ-CG 4.15Å; Y683-L688 HydrophobicContact CD1-CD1 4.37Å; G686-L688 PolarHBondContact O-N 3.01Å; L688-Q690 PolarHBondContact O-N 3.46Å; L688-Q690 VanDerWaalsContact O-N 3.16Å; L688-Q691 HydrophobicContact CB-CB 4.03Å; L688-Q691 HydrophobicContact CB-CG 4.11Å; L688-Q691 WeakPolarHBondContact O-CA 3.49Å; L688-Q691 WeakPolarHBondContact O-CB 3.35Å; L688-Q691 PolarHBondContact O-N 2.81Å; L688-I692 PolarHBondContact O-N 3.41Å
689	F	73.6	Confident	73.4	Confident	17 Å²	17	58.2 Å²	58.2	8%	0.075	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-30.3	-173.8	-52.9	-54	0	0	0	112.2	K687 I692 M693 H712 L719	K687-F689 HydrophobicContact CB-CD2 4.44Å; K687-F689 HydrophobicContact CB-CE1 4.22Å; K687-F689 HydrophobicContact CB-CE2 3.73Å; K687-F689 HydrophobicContact CB-CZ 3.6Å; K687-F689 HydrophobicContact CD-CZ 4.41Å; K687-F689 HydrophobicContact CG-CE1 4.48Å; K687-F689 HydrophobicContact CG-CE2 4.25Å; K687-F689 HydrophobicContact CG-CZ 3.76Å; K687-F689 VanDerWaalsContact O-CD2 3.29Å; K687-F689 WeakPolarHBondContact O-CD2 3.37Å; K687-F689 PolarHBondContact O-N 3.11Å; F689-I692 HydrophobicContact CD1-CD1 4.21Å; F689-M693 WeakPolarHBondContact O-CB 3.29Å; F689-M693 PolarHBondContact O-N 2.95Å; F689-H712 HydrophobicContact CB-CB 4.43Å; F689-H712 HydrophobicContact CD1-CB 3.9Å; F689-H712 AromaticContact CD1-CD2 3.84Å; F689-H712 AromaticContact CD1-CG 3.52Å; F689-H712 AromaticContact CD1-ND1 3.7Å; F689-H712 HydrophobicContact CD2-CB 4.01Å; F689-H712 HydrophobicContact CE1-CB 4.13Å; F689-H712 AromaticContact CE1-CE1 3.47Å; F689-H712 VanDerWaalsContact CE1-CE1 3.47Å; F689-H712 WeakPolarHBondContact CE1-CE1 3.4Å; F689-H712 AromaticContact CE1-CG 3.51Å; F689-H712 AromaticContact CE1-ND1 3.14Å; F689-H712 WeakPolarHBondContact CE1-ND1 3.29Å; F689-H712 HydrophobicContact CE2-CB 4.21Å; F689-H712 HydrophobicContact CG-CB 3.85Å; F689-H712 HydrophobicContact CZ-CB 4.27Å; F689-H712 AromaticContact CZ-CG 3.95Å; F689-H712 AromaticContact CZ-ND1 3.41Å; F689-H712 WeakPolarHBondContact CZ-ND1 3.49Å; F689-L719 HydrophobicContact CB-CD1 3.92Å; F689-L719 HydrophobicContact CB-CD2 4.22Å
690	Q	71.5	Confident	73.1	Confident	80 Å²	80	64 Å²	64	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-67.5	-35.8	173.4	-62.1	-169.8	0.6	0	0	112.5	L688 M693 H694 S718 L719 Q722	L688-Q690 PolarHBondContact O-N 3.46Å; L688-Q690 VanDerWaalsContact O-N 3.16Å; Q690-M693 PolarHBondContact O-N 2.82Å; Q690-H694 WeakPolarHBondContact O-CB 3.41Å; Q690-H694 PolarHBondContact O-N 3.16Å; Q690-S718 PolarHBondContact NE2-OG 3.32Å; Q690-L719 HydrophobicContact CG-CD2 3.83Å; Q690-Q722 VanDerWaalsContact NE2-NE2 3.17Å
691	Q	72.9	Confident	73.2	Confident	97 Å²	97	65 Å²	65	45%	0.453	30%	0.303	S	S	.	.	H	α-helix	trans	-76.9	-36.9	177.5	-63.4	-63.8	-22.8	0	0	111.6	L688 M693 H694 Y695	L688-Q691 HydrophobicContact CB-CB 4.03Å; L688-Q691 HydrophobicContact CB-CG 4.11Å; L688-Q691 WeakPolarHBondContact O-CA 3.49Å; L688-Q691 WeakPolarHBondContact O-CB 3.35Å; L688-Q691 PolarHBondContact O-N 2.81Å; Q691-M693 VanDerWaalsContact C-N 3.32Å; Q691-H694 PolarHBondContact O-N 3.01Å; Q691-Y695 WeakPolarHBondContact O-CB 3.47Å; Q691-Y695 PolarHBondContact O-N 3.4Å
692	I	73.2	Confident	73	Confident	11 Å²	11	66.5 Å²	66.5	6%	0.056	31%	0.309	C	S	.	.	H	α-helix	trans	-59.2	-47.6	168.5	-62.7	172.2	0	0	0	109.6	E684 L688 F689 H694 Y695 H696 V708	E684-I692 HydrophobicContact CG-CD1 4.12Å; L688-I692 PolarHBondContact O-N 3.41Å; F689-I692 HydrophobicContact CD1-CD1 4.21Å; I692-H694 VanDerWaalsContact C-N 3.34Å; I692-H694 PolarHBondContact O-N 2.86Å; I692-Y695 PolarHBondContact O-N 3.03Å; I692-H696 VanDerWaalsContact CG2-CD2 3.49Å; I692-H696 WeakPolarHBondContact CG2-CD2 3.14Å; I692-H696 PolarHBondContact O-CD2 3.07Å; I692-H696 PolarHBondContact O-N 2.99Å; I692-V708 HydrophobicContact CG2-CG2 4.12Å
693	M	70.9	Confident	72.9	Confident	2 Å²	2	76.4 Å²	76.4	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-61.7	-42.3	176.7	-175.6	175.6	-81.7	0	0	111.1	F689 Q690 Q691 H696 M697 V705 V708 C709 L719	F689-M693 WeakPolarHBondContact O-CB 3.29Å; F689-M693 PolarHBondContact O-N 2.95Å; Q690-M693 PolarHBondContact O-N 2.82Å; Q691-M693 VanDerWaalsContact C-N 3.32Å; M693-H696 PolarHBondContact O-N 3.28Å; M693-M697 HydrophobicContact CG-CE 3.35Å; M693-M697 HydrophobicContact CG-CG 4.31Å; M693-M697 HydrophobicContact CG-SD 3.83Å; M693-M697 VanDerWaalsContact O-CB 3.23Å; M693-M697 WeakPolarHBondContact O-CB 3.34Å; M693-M697 WeakPolarHBondContact O-CG 3.31Å; M693-M697 PolarHBondContact O-N 2.89Å; M693-M697 HydrophobicContact SD-CE 3.5Å; M693-M697 VanDerWaalsContact SD-CE 3.5Å; M693-V705 HydrophobicContact CE-CG1 3.99Å; M693-V705 HydrophobicContact CG-CG1 4.19Å; M693-V705 HydrophobicContact SD-CG1 4.37Å; M693-V708 HydrophobicContact CE-CG1 4.31Å; M693-C709 WeakPolarHBondContact CE-SG 3.49Å; M693-L719 HydrophobicContact CE-CD2 4.28Å; M693-L719 HydrophobicContact SD-CD2 4.44Å
694	H	73.9	Confident	72.7	Confident	93 Å²	93	79 Å²	79	43%	0.431	36%	0.359	S	S	.	.	H	α-helix	trans	-65.2	-41.7	176.1	-165.7	63.1	0	0	0	112.5	Q690 Q691 I692 M697 Q698	Q690-H694 WeakPolarHBondContact O-CB 3.41Å; Q690-H694 PolarHBondContact O-N 3.16Å; Q691-H694 PolarHBondContact O-N 3.01Å; I692-H694 VanDerWaalsContact C-N 3.34Å; I692-H694 PolarHBondContact O-N 2.86Å; H694-M697 PolarHBondContact O-N 3.44Å; H694-Q698 PolarHBondContact CD2-NE2 3.33Å; H694-Q698 PolarHBondContact NE2-NE2 2.94Å; H694-Q698 WeakPolarHBondContact O-CB 3.23Å; H694-Q698 VanDerWaalsContact O-CG 3.29Å; H694-Q698 WeakPolarHBondContact O-CG 3.35Å; H694-Q698 PolarHBondContact O-N 2.84Å
695	Y	75.1	Confident	72.7	Confident	59 Å²	59	73.2 Å²	73.2	23%	0.231	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-51.5	174.2	-178.9	-90.8	0	0	0	110.7	L680 Q691 I692 M697 Q698 H699	L680-Y695 HydrophobicContact CD2-CD1 3.82Å; L680-Y695 HydrophobicContact CD2-CE1 3.56Å; L680-Y695 HydrophobicContact CD2-CG 4.47Å; L680-Y695 HydrophobicContact CG-CE1 4.43Å; Q691-Y695 WeakPolarHBondContact O-CB 3.47Å; Q691-Y695 PolarHBondContact O-N 3.4Å; I692-Y695 PolarHBondContact O-N 3.03Å; Y695-M697 VanDerWaalsContact C-N 3.33Å; Y695-M697 PolarHBondContact O-N 3.46Å; Y695-Q698 PolarHBondContact O-N 3.34Å; Y695-H699 AromaticContact CD1-CD2 3.79Å; Y695-H699 AromaticContact CD2-CD2 3.88Å; Y695-H699 AromaticContact CD2-NE2 3.86Å; Y695-H699 AromaticContact CE1-CD2 3.56Å; Y695-H699 AromaticContact CE2-CD2 3.7Å; Y695-H699 AromaticContact CE2-NE2 3.37Å; Y695-H699 WeakPolarHBondContact CE2-NE2 3.1Å; Y695-H699 AromaticContact CG-CD2 3.93Å; Y695-H699 AromaticContact CZ-CD2 3.54Å; Y695-H699 AromaticContact CZ-NE2 3.47Å; Y695-H699 PolarHBondContact O-CD2 2.88Å; Y695-H699 PolarHBondContact O-N 3Å
696	H	74.6	Confident	72.7	Confident	22 Å²	22	70.5 Å²	70.5	10%	0.102	32%	0.321	C	S	.	.	H	α-helix	trans	-67.5	-30.2	177.1	-66.9	-60.6	0	0	0	113.4	I692 M693 H699 E700 Q701 Q704 V705	I692-H696 VanDerWaalsContact CG2-CD2 3.49Å; I692-H696 WeakPolarHBondContact CG2-CD2 3.14Å; I692-H696 PolarHBondContact O-CD2 3.07Å; I692-H696 PolarHBondContact O-N 2.99Å; M693-H696 PolarHBondContact O-N 3.28Å; H696-H699 CarbonylContact O-C 3.56Å; H696-E700 PolarHBondContact O-N 3.42Å; H696-E700 VanDerWaalsContact O-N 3.1Å; H696-Q701 HydrophobicContact CB-CB 4.32Å; H696-Q701 PolarHBondContact ND1-OE1 2.81Å; H696-Q701 PolarHBondContact O-N 3.03Å; H696-Q704 PolarHBondContact CE1-OE1 2.8Å; H696-Q704 PolarHBondContact ND1-OE1 3.1Å; H696-V705 HydrophobicContact CB-CG2 4.4Å
697	M	75.1	Confident	73.2	Confident	37 Å²	37	71.7 Å²	71.7	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-69.6	-40.7	173	-77.4	172.5	175.8	0	0	112.1	M693 H694 Y695 H699 E700 V705 Y726	M693-M697 HydrophobicContact CG-CE 3.35Å; M693-M697 HydrophobicContact CG-CG 4.31Å; M693-M697 HydrophobicContact CG-SD 3.83Å; M693-M697 VanDerWaalsContact O-CB 3.23Å; M693-M697 WeakPolarHBondContact O-CB 3.34Å; M693-M697 WeakPolarHBondContact O-CG 3.31Å; M693-M697 PolarHBondContact O-N 2.89Å; M693-M697 HydrophobicContact SD-CE 3.5Å; M693-M697 VanDerWaalsContact SD-CE 3.5Å; H694-M697 PolarHBondContact O-N 3.44Å; Y695-M697 VanDerWaalsContact C-N 3.33Å; Y695-M697 PolarHBondContact O-N 3.46Å; M697-H699 VanDerWaalsContact C-N 3.28Å; M697-H699 PolarHBondContact O-N 2.76Å; M697-E700 PolarHBondContact O-N 3.16Å; M697-V705 HydrophobicContact CE-CG1 3.95Å; M697-V705 HydrophobicContact CG-CG2 4.05Å; M697-Y726 HydrophobicContact CE-CD1 3.98Å; M697-Y726 HydrophobicContact CE-CD2 3.97Å; M697-Y726 HydrophobicContact CE-CG 3.66Å; M697-Y726 HydrophobicContact CG-CD2 4.43Å; M697-Y726 HydrophobicContact CG-CE2 4.13Å; M697-Y726 HydrophobicContact SD-CD2 4.03Å; M697-Y726 HydrophobicContact SD-CE2 4.29Å; M697-Y726 HydrophobicContact SD-CG 4.35Å
698	Q	72.5	Confident	73.4	Confident	124 Å²	124	65.4 Å²	65.4	58%	0.579	30%	0.298	S	S	*	.	H	α-helix	trans	-65.3	-32.5	174.3	-75.4	-178.1	-4	0	0	111.9	H694 Y695	H694-Q698 PolarHBondContact CD2-NE2 3.33Å; H694-Q698 PolarHBondContact NE2-NE2 2.94Å; H694-Q698 WeakPolarHBondContact O-CB 3.23Å; H694-Q698 VanDerWaalsContact O-CG 3.29Å; H694-Q698 WeakPolarHBondContact O-CG 3.35Å; H694-Q698 PolarHBondContact O-N 2.84Å; Y695-Q698 PolarHBondContact O-N 3.34Å
699	H	70.6	Confident	73.4	Confident	100 Å²	100	62.4 Å²	62.4	46%	0.463	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	10.8	177.2	-66.8	-64.7	0	0	0	114.3	Y695 H696 M697 Q701	Y695-H699 AromaticContact CD1-CD2 3.79Å; Y695-H699 AromaticContact CD2-CD2 3.88Å; Y695-H699 AromaticContact CD2-NE2 3.86Å; Y695-H699 AromaticContact CE1-CD2 3.56Å; Y695-H699 AromaticContact CE2-CD2 3.7Å; Y695-H699 AromaticContact CE2-NE2 3.37Å; Y695-H699 WeakPolarHBondContact CE2-NE2 3.1Å; Y695-H699 AromaticContact CG-CD2 3.93Å; Y695-H699 AromaticContact CZ-CD2 3.54Å; Y695-H699 AromaticContact CZ-NE2 3.47Å; Y695-H699 PolarHBondContact O-CD2 2.88Å; Y695-H699 PolarHBondContact O-N 3Å; H696-H699 CarbonylContact O-C 3.56Å; M697-H699 VanDerWaalsContact C-N 3.28Å; M697-H699 PolarHBondContact O-N 2.76Å; H699-Q701 PolarHBondContact O-N 3.31Å
700	E	70.4	Confident	73.4	Confident	136 Å²	136	67.8 Å²	67.8	64%	0.636	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	33.6	174.7	-57.9	-171.9	159.7	0	0	116.7	H696 M697 Y702	H696-E700 PolarHBondContact O-N 3.42Å; H696-E700 VanDerWaalsContact O-N 3.1Å; M697-E700 PolarHBondContact O-N 3.16Å; E700-Y702 PolarHBondContact O-N 3.48Å
701	Q	76.1	Confident	73.4	Confident	73 Å²	73	72.6 Å²	72.6	34%	0.341	32%	0.323	S	S	.	.			trans	-96.2	73	-176.1	-66.8	172.3	-7.8	0	0	113.3	H696 H699 R703 Q704 V705	H696-Q701 HydrophobicContact CB-CB 4.32Å; H696-Q701 PolarHBondContact ND1-OE1 2.81Å; H696-Q701 PolarHBondContact O-N 3.03Å; H699-Q701 PolarHBondContact O-N 3.31Å; Q701-R703 PolarHBondContact O-N 2.79Å; Q701-Q704 HydrophobicContact CB-CB 4.22Å; Q701-Q704 HydrophobicContact CB-CG 4.34Å; Q701-Q704 PolarHBondContact O-N 3.3Å; Q701-Q704 VanDerWaalsContact O-N 3.08Å; Q701-V705 PolarHBondContact O-N 3.27Å
702	Y	73.3	Confident	73.2	Confident	80 Å²	80	70.3 Å²	70.3	31%	0.314	31%	0.312	S	S	.	.	H	α-helix	trans	-54.9	-40.8	-173.4	-54.4	-65.1	0	0	0	115.7	E700 Q704 V705 I706 Y726	E700-Y702 PolarHBondContact O-N 3.48Å; Y702-Q704 VanDerWaalsContact C-N 3.3Å; Y702-Q704 PolarHBondContact O-N 3.49Å; Y702-V705 PolarHBondContact O-N 2.86Å; Y702-I706 PolarHBondContact O-N 2.97Å; Y702-Y726 HydrophobicContact CD1-CE1 4.31Å; Y702-Y726 HydrophobicContact CE1-CE1 4.38Å; Y702-Y726 WeakPolarHBondContact CE1-OH 3.42Å
703	R	73.6	Confident	72.8	Confident	210 Å²	210	70 Å²	70	79%	0.792	31%	0.311	S	S	*	.	H	α-helix	trans	-66.6	-34.1	-180	-172.7	174.6	-179.5	158.4	0.5	112.1	Q701 T707	Q701-R703 PolarHBondContact O-N 2.79Å; R703-T707 PolarHBondContact O-N 2.64Å; R703-T707 VanDerWaalsContact O-N 3.14Å; R703-T707 PolarHBondContact O-OG1 2.98Å
704	Q	71.7	Confident	72.5	Confident	85 Å²	85	76.9 Å²	76.9	40%	0.397	34%	0.343	S	S	.	.	H	α-helix	trans	-74.5	-31.9	179.5	-62.8	-171.4	5.6	0	0	111	H696 Q701 Y702 I706 T707 V708	H696-Q704 PolarHBondContact CE1-OE1 2.8Å; H696-Q704 PolarHBondContact ND1-OE1 3.1Å; Q701-Q704 HydrophobicContact CB-CB 4.22Å; Q701-Q704 HydrophobicContact CB-CG 4.34Å; Q701-Q704 PolarHBondContact O-N 3.3Å; Q701-Q704 VanDerWaalsContact O-N 3.08Å; Y702-Q704 VanDerWaalsContact C-N 3.3Å; Y702-Q704 PolarHBondContact O-N 3.49Å; Q704-I706 PolarHBondContact O-N 3.39Å; Q704-T707 PolarHBondContact O-N 3.39Å; Q704-V708 WeakPolarHBondContact O-CB 3.15Å; Q704-V708 WeakPolarHBondContact O-CG2 3.26Å; Q704-V708 PolarHBondContact O-N 2.9Å
705	V	74.6	Confident	71.9	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59	-45.7	173.7	176.2	0	0	0	0	111.9	M693 H696 M697 Q701 Y702 V708 C709	M693-V705 HydrophobicContact CE-CG1 3.99Å; M693-V705 HydrophobicContact CG-CG1 4.19Å; M693-V705 HydrophobicContact SD-CG1 4.37Å; H696-V705 HydrophobicContact CB-CG2 4.4Å; M697-V705 HydrophobicContact CE-CG1 3.95Å; M697-V705 HydrophobicContact CG-CG2 4.05Å; Q701-V705 PolarHBondContact O-N 3.27Å; Y702-V705 PolarHBondContact O-N 2.86Å; V705-V708 PolarHBondContact O-N 3.44Å; V705-C709 PolarHBondContact O-N 3.13Å; V705-C709 PolarHBondContact O-SG 3.49Å; V705-C709 VanDerWaalsContact O-SG 3.35Å
706	I	72.9	Confident	71.5	Confident	27 Å²	27	77.8 Å²	77.8	14%	0.138	35%	0.351	C	S	.	.	H	α-helix	trans	-70.5	-40	177.4	-61.8	173.8	0	0	0	111	Y702 Q704 V708 C709 E710 F727 Y737	Y702-I706 PolarHBondContact O-N 2.97Å; Q704-I706 PolarHBondContact O-N 3.39Å; I706-V708 PolarHBondContact O-N 3.01Å; I706-C709 CarbonylContact O-C 3.22Å; I706-C709 WeakPolarHBondContact O-CB 3.43Å; I706-C709 PolarHBondContact O-N 3.35Å; I706-C709 VanDerWaalsContact O-N 3.08Å; I706-E710 HydrophobicContact CG2-CG 4.14Å; I706-E710 WeakPolarHBondContact O-CB 3.46Å; I706-E710 WeakPolarHBondContact O-CG 3.07Å; I706-E710 PolarHBondContact O-N 3.42Å; I706-F727 HydrophobicContact CD1-CZ 4.13Å; I706-F727 HydrophobicContact CG1-CE2 4.31Å; I706-F727 HydrophobicContact CG1-CZ 3.95Å; I706-Y737 HydrophobicContact CD1-CD1 2.97Å; I706-Y737 HydrophobicContact CD1-CD2 4.17Å; I706-Y737 HydrophobicContact CD1-CE1 3.15Å; I706-Y737 HydrophobicContact CD1-CE2 4.33Å; I706-Y737 HydrophobicContact CD1-CG 3.51Å; I706-Y737 HydrophobicContact CG1-CD1 4.39Å
707	T	76.3	Confident	71.2	Confident	42 Å²	42	79.4 Å²	79.4	26%	0.258	36%	0.363	S	S	.	.	H	α-helix	trans	-59.7	-35.8	175.1	-51.7	0	0	0	0	111.1	R703 Q704 R711	R703-T707 PolarHBondContact O-N 2.64Å; R703-T707 VanDerWaalsContact O-N 3.14Å; R703-T707 PolarHBondContact O-OG1 2.98Å; Q704-T707 PolarHBondContact O-N 3.39Å; T707-R711 VanDerWaalsContact O-CB 3.29Å; T707-R711 WeakPolarHBondContact O-CB 3.2Å; T707-R711 VanDerWaalsContact O-CG 3.23Å; T707-R711 WeakPolarHBondContact O-CG 3.45Å; T707-R711 PolarHBondContact O-N 2.87Å
708	V	74.9	Confident	71	Confident	14 Å²	14	79 Å²	79	9%	0.085	37%	0.365	C	S	.	.	H	α-helix	trans	-69.1	-43.3	173.5	170.7	0	0	0	0	111	I692 M693 Q704 V705 I706 R711 H712	I692-V708 HydrophobicContact CG2-CG2 4.12Å; M693-V708 HydrophobicContact CE-CG1 4.31Å; Q704-V708 WeakPolarHBondContact O-CB 3.15Å; Q704-V708 WeakPolarHBondContact O-CG2 3.26Å; Q704-V708 PolarHBondContact O-N 2.9Å; V705-V708 PolarHBondContact O-N 3.44Å; I706-V708 PolarHBondContact O-N 3.01Å; V708-R711 PolarHBondContact O-N 3.4Å; V708-H712 WeakPolarHBondContact O-CB 3.27Å; V708-H712 PolarHBondContact O-CD2 3.29Å; V708-H712 PolarHBondContact O-N 2.9Å
709	C	73.1	Confident	71.1	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.014	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-40.4	173.2	-67.6	0	0	0	0	113.1	M693 V705 I706 G713 W720	M693-C709 WeakPolarHBondContact CE-SG 3.49Å; V705-C709 PolarHBondContact O-N 3.13Å; V705-C709 PolarHBondContact O-SG 3.49Å; V705-C709 VanDerWaalsContact O-SG 3.35Å; I706-C709 CarbonylContact O-C 3.22Å; I706-C709 WeakPolarHBondContact O-CB 3.43Å; I706-C709 PolarHBondContact O-N 3.35Å; I706-C709 VanDerWaalsContact O-N 3.08Å; C709-G713 WeakPolarHBondContact O-CA 3.45Å; C709-G713 PolarHBondContact O-N 3.34Å; C709-W720 HydrophobicContact CB-CE3 4.39Å; C709-W720 HydrophobicContact CB-CH2 3.99Å; C709-W720 HydrophobicContact CB-CZ2 4.21Å; C709-W720 HydrophobicContact CB-CZ3 4.08Å; C709-W720 WeakPolarHBondContact O-CZ2 3.29Å
710	E	73.8	Confident	71.3	Confident	130 Å²	130	69.4 Å²	69.4	61%	0.607	32%	0.319	S	S	*	.	H	α-helix	trans	-70.2	-40	179.4	-73.5	176.4	167.3	0	0	111.7	I706	I706-E710 HydrophobicContact CG2-CG 4.14Å; I706-E710 WeakPolarHBondContact O-CB 3.46Å; I706-E710 WeakPolarHBondContact O-CG 3.07Å; I706-E710 PolarHBondContact O-N 3.42Å
711	R	71.4	Confident	71.4	Confident	181 Å²	181	66.4 Å²	66.4	68%	0.683	31%	0.305	S	S	*	.	H	α-helix	trans	-76.5	-36.3	179.4	-72.9	179.2	-176	-178.7	2.6	113.3	T707 V708	T707-R711 VanDerWaalsContact O-CB 3.29Å; T707-R711 WeakPolarHBondContact O-CB 3.2Å; T707-R711 VanDerWaalsContact O-CG 3.23Å; T707-R711 WeakPolarHBondContact O-CG 3.45Å; T707-R711 PolarHBondContact O-N 2.87Å; V708-R711 PolarHBondContact O-N 3.4Å
712	H	70	Confident	71.3	Confident	49 Å²	49	66.4 Å²	66.4	23%	0.227	31%	0.305	C	S	.	.	H	α-helix	trans	-119.1	-7.4	-169.2	-56.6	-69	0	0	0	114.3	F689 V708 E714 Q715 D716 L719	F689-H712 HydrophobicContact CB-CB 4.43Å; F689-H712 HydrophobicContact CD1-CB 3.9Å; F689-H712 AromaticContact CD1-CD2 3.84Å; F689-H712 AromaticContact CD1-CG 3.52Å; F689-H712 AromaticContact CD1-ND1 3.7Å; F689-H712 HydrophobicContact CD2-CB 4.01Å; F689-H712 HydrophobicContact CE1-CB 4.13Å; F689-H712 AromaticContact CE1-CE1 3.47Å; F689-H712 VanDerWaalsContact CE1-CE1 3.47Å; F689-H712 WeakPolarHBondContact CE1-CE1 3.4Å; F689-H712 AromaticContact CE1-CG 3.51Å; F689-H712 AromaticContact CE1-ND1 3.14Å; F689-H712 WeakPolarHBondContact CE1-ND1 3.29Å; F689-H712 HydrophobicContact CE2-CB 4.21Å; F689-H712 HydrophobicContact CG-CB 3.85Å; F689-H712 HydrophobicContact CZ-CB 4.27Å; F689-H712 AromaticContact CZ-CG 3.95Å; F689-H712 AromaticContact CZ-ND1 3.41Å; F689-H712 WeakPolarHBondContact CZ-ND1 3.49Å; V708-H712 WeakPolarHBondContact O-CB 3.27Å; V708-H712 PolarHBondContact O-CD2 3.29Å; V708-H712 PolarHBondContact O-N 2.9Å; H712-E714 VanDerWaalsContact C-N 3.28Å; H712-E714 PolarHBondContact O-N 3.25Å; H712-Q715 WeakPolarHBondContact O-CB 3.34Å; H712-Q715 PolarHBondContact O-N 3.29Å; H712-D716 PolarHBondContact O-N 3.08Å; H712-L719 HydrophobicContact CB-CD1 4.12Å
713	G	63.9	Low	71.2	Confident	3 Å²	3	62.6 Å²	62.6	3%	0.031	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.5	-177.7	0	0	0	0	0	115.4	C709 W720	C709-G713 WeakPolarHBondContact O-CA 3.45Å; C709-G713 PolarHBondContact O-N 3.34Å; G713-W720 PolarHBondContact O-NE1 2.77Å
714	E	63.9	Low	71.2	Confident	148 Å²	148	52.6 Å²	52.6	69%	0.692	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-27.1	163.5	-62.8	-137.5	117.7	0	0	112.5	H712 K748	H712-E714 VanDerWaalsContact C-N 3.28Å; H712-E714 PolarHBondContact O-N 3.25Å; E714-K748 IonicContact OE1-NZ 2.59Å; E714-K748 PolarHBondContact OE1-NZ 3.15Å
715	Q	63	Low	71.3	Confident	123 Å²	123	50.4 Å²	50.4	58%	0.575	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-36.6	-175.9	-61.5	176.1	4.2	0	0	111.5	H712	H712-Q715 WeakPolarHBondContact O-CB 3.34Å; H712-Q715 PolarHBondContact O-N 3.29Å
716	D	66.6	Low	71.3	Confident	48 Å²	48	52.3 Å²	52.3	26%	0.257	25%	0.254	S	S	.	.			trans	-129.5	101.8	175.3	-173.4	-0.9	0	0	0	110.9	H712 S718 L719	H712-D716 PolarHBondContact O-N 3.08Å; D716-S718 PolarHBondContact O-N 3.44Å; D716-S718 VanDerWaalsContact OD1-CB 3.26Å; D716-S718 WeakPolarHBondContact OD1-CB 3.42Å; D716-S718 PolarHBondContact OD1-N 3.45Å; D716-S718 PolarHBondContact OD1-OG 3.26Å; D716-S718 PolarHBondContact OD2-OG 2.84Å; D716-L719 HydrophobicContact CB-CD1 4Å; D716-L719 HydrophobicContact CB-CG 3.98Å; D716-L719 WeakPolarHBondContact O-CB 3.43Å; D716-L719 PolarHBondContact O-N 3.49Å
717	P	68.1	Low	71.2	Confident	55 Å²	55	51.3 Å²	51.3	36%	0.357	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.1	176.9	-24.3	34.8	0	0	0	114.2	L719 W720 L750	P717-L719 PolarHBondContact O-N 2.87Å; P717-W720 WeakPolarHBondContact O-CB 3.38Å; P717-W720 PolarHBondContact O-N 3.33Å; P717-L750 HydrophobicContact CB-CD1 4.07Å; P717-L750 HydrophobicContact CB-CD2 3.75Å; P717-L750 HydrophobicContact CB-CG 4.46Å; P717-L750 HydrophobicContact CG-CD2 4.19Å
718	S	70.8	Confident	70.8	Confident	30 Å²	30	49.6 Å²	49.6	21%	0.21	24%	0.238	C	C	.	.	H	α-helix	trans	-70.3	-20.5	178.6	76.8	0	0	0	0	112.9	Q690 D716 W720 E721 Q722	Q690-S718 PolarHBondContact NE2-OG 3.32Å; D716-S718 PolarHBondContact O-N 3.44Å; D716-S718 VanDerWaalsContact OD1-CB 3.26Å; D716-S718 WeakPolarHBondContact OD1-CB 3.42Å; D716-S718 PolarHBondContact OD1-N 3.45Å; D716-S718 PolarHBondContact OD1-OG 3.26Å; D716-S718 PolarHBondContact OD2-OG 2.84Å; S718-W720 PolarHBondContact O-N 3.29Å; S718-E721 WeakPolarHBondContact O-CB 3.28Å; S718-E721 PolarHBondContact O-N 3.48Å; S718-E721 VanDerWaalsContact O-N 3.1Å; S718-Q722 WeakPolarHBondContact O-CG 3.46Å; S718-Q722 PolarHBondContact O-N 3.05Å
719	L	74.3	Confident	70.5	Confident	0 Å²	0	59 Å²	59	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-33	172.7	-65.1	173.9	0	0	0	111.5	F689 Q690 M693 H712 D716 P717 A723	F689-L719 HydrophobicContact CB-CD1 3.92Å; F689-L719 HydrophobicContact CB-CD2 4.22Å; Q690-L719 HydrophobicContact CG-CD2 3.83Å; M693-L719 HydrophobicContact CE-CD2 4.28Å; M693-L719 HydrophobicContact SD-CD2 4.44Å; H712-L719 HydrophobicContact CB-CD1 4.12Å; D716-L719 HydrophobicContact CB-CD1 4Å; D716-L719 HydrophobicContact CB-CG 3.98Å; D716-L719 WeakPolarHBondContact O-CB 3.43Å; D716-L719 PolarHBondContact O-N 3.49Å; P717-L719 PolarHBondContact O-N 2.87Å; L719-A723 WeakPolarHBondContact O-CB 3.21Å; L719-A723 PolarHBondContact O-N 3.35Å
720	W	74.3	Confident	70.1	Confident	22 Å²	22	62.5 Å²	62.5	8%	0.083	29%	0.287	C	S	.	.	H	α-helix	trans	-72.1	-32.9	174.4	-66.7	104.1	0	0	0	111.9	C709 G713 P717 S718 L724 V741	C709-W720 HydrophobicContact CB-CE3 4.39Å; C709-W720 HydrophobicContact CB-CH2 3.99Å; C709-W720 HydrophobicContact CB-CZ2 4.21Å; C709-W720 HydrophobicContact CB-CZ3 4.08Å; C709-W720 WeakPolarHBondContact O-CZ2 3.29Å; G713-W720 PolarHBondContact O-NE1 2.77Å; P717-W720 WeakPolarHBondContact O-CB 3.38Å; P717-W720 PolarHBondContact O-N 3.33Å; S718-W720 PolarHBondContact O-N 3.29Å; W720-L724 WeakPolarHBondContact O-CB 3.37Å; W720-L724 PolarHBondContact O-N 3.23Å; W720-V741 HydrophobicContact CB-CG1 4.41Å; W720-V741 HydrophobicContact CE3-CB 4.15Å; W720-V741 HydrophobicContact CE3-CG1 3.98Å; W720-V741 HydrophobicContact CE3-CG2 3.8Å; W720-V741 HydrophobicContact CZ3-CB 4.49Å; W720-V741 HydrophobicContact CZ3-CG2 3.9Å; W720-V741 WeakPolarHBondContact O-CG1 3.23Å
721	E	72.7	Confident	69.3	Low	72 Å²	72	64.1 Å²	64.1	34%	0.336	30%	0.295	S	S	.	.	H	α-helix	trans	-71.6	-40.6	174.2	-59.2	-176.9	167.9	0	0	112	S718 L724 S725 M751	S718-E721 WeakPolarHBondContact O-CB 3.28Å; S718-E721 PolarHBondContact O-N 3.48Å; S718-E721 VanDerWaalsContact O-N 3.1Å; E721-L724 PolarHBondContact O-N 3.29Å; E721-S725 VanDerWaalsContact O-CB 3.26Å; E721-S725 WeakPolarHBondContact O-CB 3.47Å; E721-S725 PolarHBondContact O-N 3.44Å; E721-S725 PolarHBondContact O-OG 3.36Å; E721-M751 HydrophobicContact CG-CE 4.13Å; E721-M751 HydrophobicContact CG-CG 4.38Å; E721-M751 HydrophobicContact CG-SD 4.01Å; E721-M751 WeakPolarHBondContact OE1-CG 3.24Å
722	Q	73.1	Confident	68.8	Low	73 Å²	73	61.6 Å²	61.6	34%	0.341	29%	0.291	S	S	.	.	H	α-helix	trans	-68.8	-41.5	175.6	-71.9	-175.8	-4.2	0	0	111.5	Q690 S718 S725 Y726	Q690-Q722 VanDerWaalsContact NE2-NE2 3.17Å; S718-Q722 WeakPolarHBondContact O-CG 3.46Å; S718-Q722 PolarHBondContact O-N 3.05Å; Q722-S725 PolarHBondContact O-N 3.29Å; Q722-Y726 VanDerWaalsContact O-CB 3.28Å; Q722-Y726 WeakPolarHBondContact O-CB 3.31Å; Q722-Y726 PolarHBondContact O-N 3.46Å
723	A	72.8	Confident	68.2	Low	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-47	171.3	0	0	0	0	0	111	L719 S725 Y726 F727	L719-A723 WeakPolarHBondContact O-CB 3.21Å; L719-A723 PolarHBondContact O-N 3.35Å; A723-S725 VanDerWaalsContact C-N 3.3Å; A723-S725 PolarHBondContact O-N 2.99Å; A723-Y726 PolarHBondContact O-N 3.43Å; A723-F727 HydrophobicContact CB-CD2 4.3Å; A723-F727 HydrophobicContact CB-CE2 4.16Å; A723-F727 WeakPolarHBondContact O-CB 3.45Å; A723-F727 WeakPolarHBondContact O-CD2 3.32Å; A723-F727 WeakPolarHBondContact O-CG 3.44Å; A723-F727 PolarHBondContact O-N 3.03Å
724	L	73.8	Confident	68.2	Low	1 Å²	1	66.4 Å²	66.4	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-41.1	175.6	-170.2	66.8	0	0	0	111.3	W720 E721 A728 V738 V741 I745 M751 L760	W720-L724 WeakPolarHBondContact O-CB 3.37Å; W720-L724 PolarHBondContact O-N 3.23Å; E721-L724 PolarHBondContact O-N 3.29Å; L724-A728 WeakPolarHBondContact O-CA 3.48Å; L724-A728 WeakPolarHBondContact O-CB 3.27Å; L724-A728 PolarHBondContact O-N 2.89Å; L724-V738 HydrophobicContact CD1-CG1 4.05Å; L724-V741 HydrophobicContact CB-CG1 3.87Å; L724-V741 HydrophobicContact CD1-CB 4.39Å; L724-V741 HydrophobicContact CD1-CG1 3.97Å; L724-V741 HydrophobicContact CG-CG1 4.41Å; L724-I745 HydrophobicContact CD2-CD1 3.96Å; L724-M751 HydrophobicContact CD2-CE 3.81Å; L724-L760 HydrophobicContact CD1-CD2 4.1Å
725	S	73.3	Confident	68.2	Low	39 Å²	39	65.4 Å²	65.4	27%	0.273	31%	0.312	S	S	.	.	H	α-helix	trans	-69.3	-37.2	177.9	-61.7	0	0	0	0	112.7	E721 Q722 A723 R729	E721-S725 VanDerWaalsContact O-CB 3.26Å; E721-S725 WeakPolarHBondContact O-CB 3.47Å; E721-S725 PolarHBondContact O-N 3.44Å; E721-S725 PolarHBondContact O-OG 3.36Å; Q722-S725 PolarHBondContact O-N 3.29Å; A723-S725 VanDerWaalsContact C-N 3.3Å; A723-S725 PolarHBondContact O-N 2.99Å; S725-R729 VanDerWaalsContact O-CG 3.26Å; S725-R729 WeakPolarHBondContact O-CG 3.4Å; S725-R729 PolarHBondContact O-N 3.29Å
726	Y	73.5	Confident	68.5	Low	40 Å²	40	67.1 Å²	67.1	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-67.5	-48.9	175.7	177.2	-104.5	0	0	0	111.1	M697 Y702 Q722 A723 A728 R729 K730	M697-Y726 HydrophobicContact CE-CD1 3.98Å; M697-Y726 HydrophobicContact CE-CD2 3.97Å; M697-Y726 HydrophobicContact CE-CG 3.66Å; M697-Y726 HydrophobicContact CG-CD2 4.43Å; M697-Y726 HydrophobicContact CG-CE2 4.13Å; M697-Y726 HydrophobicContact SD-CD2 4.03Å; M697-Y726 HydrophobicContact SD-CE2 4.29Å; M697-Y726 HydrophobicContact SD-CG 4.35Å; Y702-Y726 HydrophobicContact CD1-CE1 4.31Å; Y702-Y726 HydrophobicContact CE1-CE1 4.38Å; Y702-Y726 WeakPolarHBondContact CE1-OH 3.42Å; Q722-Y726 VanDerWaalsContact O-CB 3.28Å; Q722-Y726 WeakPolarHBondContact O-CB 3.31Å; Q722-Y726 PolarHBondContact O-N 3.46Å; A723-Y726 PolarHBondContact O-N 3.43Å; Y726-A728 VanDerWaalsContact C-N 3.32Å; Y726-A728 PolarHBondContact O-N 2.81Å; Y726-R729 PolarHBondContact O-N 3.39Å; Y726-K730 PolarHBondContact O-N 3.3Å
727	F	72.1	Confident	68.7	Low	6 Å²	6	69.4 Å²	69.4	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-68.2	-29.7	175.5	-66.3	-56.9	0	0	0	112.4	I706 A723 R729 C734 Y737 V738	I706-F727 HydrophobicContact CD1-CZ 4.13Å; I706-F727 HydrophobicContact CG1-CE2 4.31Å; I706-F727 HydrophobicContact CG1-CZ 3.95Å; A723-F727 HydrophobicContact CB-CD2 4.3Å; A723-F727 HydrophobicContact CB-CE2 4.16Å; A723-F727 WeakPolarHBondContact O-CB 3.45Å; A723-F727 WeakPolarHBondContact O-CD2 3.32Å; A723-F727 WeakPolarHBondContact O-CG 3.44Å; A723-F727 PolarHBondContact O-N 3.03Å; F727-R729 VanDerWaalsContact C-N 3.31Å; F727-R729 PolarHBondContact O-N 3.15Å; F727-C734 HydrophobicContact CB-CB 4.38Å; F727-C734 HydrophobicContact CD1-CB 4.16Å; F727-Y737 HydrophobicContact CE1-CD2 4.31Å; F727-V738 HydrophobicContact CB-CG2 3.98Å
728	A	67.3	Low	68.9	Low	6 Å²	6	67.7 Å²	67.7	5%	0.05	31%	0.314	C	S	.	.	H	α-helix	trans	-70.6	-23.3	173.9	0	0	0	0	0	113.4	L724 Y726 N763	L724-A728 WeakPolarHBondContact O-CA 3.48Å; L724-A728 WeakPolarHBondContact O-CB 3.27Å; L724-A728 PolarHBondContact O-N 2.89Å; Y726-A728 VanDerWaalsContact C-N 3.32Å; Y726-A728 PolarHBondContact O-N 2.81Å; A728-N763 VanDerWaalsContact O-CB 3.28Å; A728-N763 WeakPolarHBondContact O-CB 3.48Å; A728-N763 VanDerWaalsContact O-CG 3.31Å; A728-N763 PolarHBondContact O-ND2 2.98Å; A728-N763 VanDerWaalsContact O-ND2 3.09Å
729	R	68.9	Low	68.9	Low	212 Å²	212	68.7 Å²	68.7	80%	0.8	32%	0.324	S	S	*	.	H	α-helix	trans	-90.4	-14.3	178.9	-74.6	175	-176	-171.1	2.9	114.1	S725 Y726 F727	S725-R729 VanDerWaalsContact O-CG 3.26Å; S725-R729 WeakPolarHBondContact O-CG 3.4Å; S725-R729 PolarHBondContact O-N 3.29Å; Y726-R729 PolarHBondContact O-N 3.39Å; F727-R729 VanDerWaalsContact C-N 3.31Å; F727-R729 PolarHBondContact O-N 3.15Å
730	K	65.1	Low	68.8	Low	74 Å²	74	71 Å²	71	32%	0.322	34%	0.344	S	S	.	.			trans	-92.2	136.6	179.8	-70.2	-75.4	-175.1	168.1	0	109.9	Y726 E732	Y726-K730 PolarHBondContact O-N 3.3Å; K730-E732 VanDerWaalsContact C-N 3.34Å
731	E	55.6	Low	68.8	Low	164 Å²	164	70.2 Å²	70.2	77%	0.766	34%	0.341	S	S	*	.			trans	-86.9	0.9	-176.2	-63.8	-174.6	164.1	0	0	113.9
732	E	60.7	Low	68.8	Low	129 Å²	129	68 Å²	68	60%	0.603	33%	0.331	S	S	*	.	S	Bend	trans	-85.6	157.8	178.4	-63.9	-175.5	170.4	0	0	112.1	K730 C734	K730-E732 VanDerWaalsContact C-N 3.34Å; E732-C734 VanDerWaalsContact C-N 3.25Å; E732-C734 PolarHBondContact O-N 2.85Å; E732-C734 PolarHBondContact O-SG 3.25Å
733	D	59.2	Low	68.9	Low	130 Å²	130	71.4 Å²	71.4	70%	0.695	35%	0.345	S	S	*	.			trans	-61.8	74.7	-177.9	-93.7	-39.6	0	0	0	113	K735	D733-K735 VanDerWaalsContact C-N 3.28Å; D733-K735 PolarHBondContact O-N 3.2Å; D733-K735 IonicContact OD1-NZ 2.73Å; D733-K735 PolarHBondContact OD1-NZ 3.28Å
734	C	62.7	Low	68.8	Low	22 Å²	22	75.5 Å²	75.5	15%	0.149	36%	0.364	C	S	.	.			trans	-91.8	22.3	178.6	-67	0	0	0	0	112.5	F727 E732 E736 Y737 V738	F727-C734 HydrophobicContact CB-CB 4.38Å; F727-C734 HydrophobicContact CD1-CB 4.16Å; E732-C734 VanDerWaalsContact C-N 3.25Å; E732-C734 PolarHBondContact O-N 2.85Å; E732-C734 PolarHBondContact O-SG 3.25Å; C734-E736 VanDerWaalsContact C-N 3.33Å; C734-E736 PolarHBondContact O-N 2.72Å; C734-Y737 PolarHBondContact O-N 3.43Å; C734-V738 HydrophobicContact CB-CG2 4.5Å; C734-V738 WeakPolarHBondContact O-CG2 3.44Å; C734-V738 PolarHBondContact O-N 2.91Å
735	K	65	Low	68.8	Low	128 Å²	128	75.5 Å²	75.5	56%	0.557	36%	0.364	S	S	*	.	H	α-helix	trans	-58.4	-40.4	-172.9	-69.8	174.8	179.5	127.3	0	113.1	D733 A739	D733-K735 VanDerWaalsContact C-N 3.28Å; D733-K735 PolarHBondContact O-N 3.2Å; D733-K735 IonicContact OD1-NZ 2.73Å; D733-K735 PolarHBondContact OD1-NZ 3.28Å; K735-A739 WeakPolarHBondContact O-CB 3.38Å; K735-A739 PolarHBondContact O-N 3.47Å
736	E	68.8	Low	68.6	Low	159 Å²	159	76.5 Å²	76.5	74%	0.743	37%	0.365	S	S	*	.	H	α-helix	trans	-67	-41.2	179.3	-64.5	-172.6	165.3	0	0	111.6	C734 A740	C734-E736 VanDerWaalsContact C-N 3.33Å; C734-E736 PolarHBondContact O-N 2.72Å; E736-A740 WeakPolarHBondContact O-CB 3.42Å; E736-A740 PolarHBondContact O-N 3.01Å; E736-A740 VanDerWaalsContact O-N 3.14Å
737	Y	70.6	Confident	68.4	Low	96 Å²	96	80.2 Å²	80.2	38%	0.376	39%	0.387	S	S	.	.	H	α-helix	trans	-72	-37.4	179.4	-55.8	-46.4	0	0	0	112	I706 F727 C734 V741	I706-Y737 HydrophobicContact CD1-CD1 2.97Å; I706-Y737 HydrophobicContact CD1-CD2 4.17Å; I706-Y737 HydrophobicContact CD1-CE1 3.15Å; I706-Y737 HydrophobicContact CD1-CE2 4.33Å; I706-Y737 HydrophobicContact CD1-CG 3.51Å; I706-Y737 HydrophobicContact CG1-CD1 4.39Å; F727-Y737 HydrophobicContact CE1-CD2 4.31Å; C734-Y737 PolarHBondContact O-N 3.43Å; Y737-V741 WeakPolarHBondContact O-CG2 3.24Å; Y737-V741 PolarHBondContact O-N 3.44Å; Y737-V741 VanDerWaalsContact O-N 3.14Å
738	V	71.8	Confident	68.1	Low	18 Å²	18	84.2 Å²	84.2	11%	0.109	41%	0.405	C	S	.	.	H	α-helix	trans	-68.4	-41.4	175.7	173.7	0	0	0	0	112.1	L724 F727 C734 V741 L742 L760	L724-V738 HydrophobicContact CD1-CG1 4.05Å; F727-V738 HydrophobicContact CB-CG2 3.98Å; C734-V738 HydrophobicContact CB-CG2 4.5Å; C734-V738 WeakPolarHBondContact O-CG2 3.44Å; C734-V738 PolarHBondContact O-N 2.91Å; V738-V741 PolarHBondContact O-N 2.89Å; V738-L742 HydrophobicContact CG1-CD1 3.95Å; V738-L742 HydrophobicContact CG1-CG 4.44Å; V738-L742 WeakPolarHBondContact O-CG 3.28Å; V738-L742 PolarHBondContact O-N 2.79Å; V738-L760 HydrophobicContact CG1-CD2 4.02Å
739	A	71.5	Confident	68	Low	51 Å²	51	88.2 Å²	88.2	42%	0.421	43%	0.425	S	S	.	.	H	α-helix	trans	-65.6	-39.2	177.5	0	0	0	0	0	112.4	K735 L742 K743	K735-A739 WeakPolarHBondContact O-CB 3.38Å; K735-A739 PolarHBondContact O-N 3.47Å; A739-L742 PolarHBondContact O-N 3.46Å; A739-K743 PolarHBondContact O-N 2.93Å
740	A	72	Confident	67.9	Low	49 Å²	49	80.3 Å²	80.3	41%	0.405	40%	0.398	S	S	.	.	H	α-helix	trans	-60.3	-46.8	173.6	0	0	0	0	0	111.1	E736 L742 H744	E736-A740 WeakPolarHBondContact O-CB 3.42Å; E736-A740 PolarHBondContact O-N 3.01Å; E736-A740 VanDerWaalsContact O-N 3.14Å; A740-L742 PolarHBondContact O-N 3.21Å; A740-H744 PolarHBondContact O-CD2 3.28Å; A740-H744 PolarHBondContact O-N 3.05Å
741	V	75.1	Confident	67.9	Low	6 Å²	6	77.3 Å²	77.3	4%	0.036	39%	0.386	C	S	.	.	H	α-helix	trans	-63.1	-43.3	179.1	176	0	0	0	0	111.8	W720 L724 Y737 V738 H744 I745	W720-V741 HydrophobicContact CB-CG1 4.41Å; W720-V741 HydrophobicContact CE3-CB 4.15Å; W720-V741 HydrophobicContact CE3-CG1 3.98Å; W720-V741 HydrophobicContact CE3-CG2 3.8Å; W720-V741 HydrophobicContact CZ3-CB 4.49Å; W720-V741 HydrophobicContact CZ3-CG2 3.9Å; W720-V741 WeakPolarHBondContact O-CG1 3.23Å; L724-V741 HydrophobicContact CB-CG1 3.87Å; L724-V741 HydrophobicContact CD1-CB 4.39Å; L724-V741 HydrophobicContact CD1-CG1 3.97Å; L724-V741 HydrophobicContact CG-CG1 4.41Å; Y737-V741 WeakPolarHBondContact O-CG2 3.24Å; Y737-V741 PolarHBondContact O-N 3.44Å; Y737-V741 VanDerWaalsContact O-N 3.14Å; V738-V741 PolarHBondContact O-N 2.89Å; V741-H744 PolarHBondContact O-N 2.71Å; V741-I745 HydrophobicContact CG1-CD1 3.71Å; V741-I745 WeakPolarHBondContact O-CD1 3.42Å; V741-I745 WeakPolarHBondContact O-CG1 3.14Å; V741-I745 PolarHBondContact O-N 3.38Å; V741-I745 VanDerWaalsContact O-N 3.14Å
742	L	72.8	Confident	68.6	Low	24 Å²	24	73.3 Å²	73.3	13%	0.126	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-39.3	-178.2	-76.1	170.2	0	0	0	114.4	V738 A739 A740 H744 I745 E746 V756 L760 V770	V738-L742 HydrophobicContact CG1-CD1 3.95Å; V738-L742 HydrophobicContact CG1-CG 4.44Å; V738-L742 WeakPolarHBondContact O-CG 3.28Å; V738-L742 PolarHBondContact O-N 2.79Å; A739-L742 PolarHBondContact O-N 3.46Å; A740-L742 PolarHBondContact O-N 3.21Å; L742-H744 VanDerWaalsContact C-N 3.25Å; L742-H744 PolarHBondContact O-N 2.84Å; L742-I745 HydrophobicContact CD2-CD1 4.4Å; L742-I745 PolarHBondContact O-N 2.9Å; L742-E746 PolarHBondContact O-N 2.81Å; L742-V756 HydrophobicContact CD2-CG1 3.54Å; L742-L760 HydrophobicContact CD1-CD1 3.96Å; L742-L760 HydrophobicContact CD2-CD1 4.04Å; L742-V770 HydrophobicContact CD1-CG1 3.59Å
743	K	74.7	Confident	69.1	Low	146 Å²	146	68.8 Å²	68.8	64%	0.635	36%	0.356	S	S	*	.	H	α-helix	trans	-62.5	-35	176.3	-172.8	176.1	-179.1	-179.7	0	112	A739 N747	A739-K743 PolarHBondContact O-N 2.93Å; K743-N747 PolarHBondContact O-N 2.77Å; K743-N747 PolarHBondContact O-ND2 3.15Å
744	H	71.3	Confident	69.7	Low	85 Å²	85	68.8 Å²	68.8	39%	0.394	36%	0.355	S	S	.	.	H	α-helix	trans	-73.2	-33.9	175.4	-78.1	-70	0	0	0	112.7	A740 V741 L742 K748	A740-H744 PolarHBondContact O-CD2 3.28Å; A740-H744 PolarHBondContact O-N 3.05Å; V741-H744 PolarHBondContact O-N 2.71Å; L742-H744 VanDerWaalsContact C-N 3.25Å; L742-H744 PolarHBondContact O-N 2.84Å; H744-K748 PolarHBondContact O-N 2.97Å
745	I	72.6	Confident	70	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-66	-40.1	175	-69.5	159	0	0	0	111.9	L724 V741 L742 N749 L750 M751 V756	L724-I745 HydrophobicContact CD2-CD1 3.96Å; V741-I745 HydrophobicContact CG1-CD1 3.71Å; V741-I745 WeakPolarHBondContact O-CD1 3.42Å; V741-I745 WeakPolarHBondContact O-CG1 3.14Å; V741-I745 PolarHBondContact O-N 3.38Å; V741-I745 VanDerWaalsContact O-N 3.14Å; L742-I745 HydrophobicContact CD2-CD1 4.4Å; L742-I745 PolarHBondContact O-N 2.9Å; I745-N749 PolarHBondContact O-N 3.19Å; I745-N749 VanDerWaalsContact O-N 3.08Å; I745-L750 HydrophobicContact CG1-CD1 4.49Å; I745-L750 HydrophobicContact CG2-CB 4.34Å; I745-L750 PolarHBondContact O-N 3.44Å; I745-L750 VanDerWaalsContact O-N 3.15Å; I745-M751 HydrophobicContact CD1-CE 3.42Å; I745-M751 VanDerWaalsContact CD1-CE 3.42Å; I745-M751 HydrophobicContact CG1-CE 4.04Å; I745-M751 HydrophobicContact CG2-CB 4.15Å; I745-M751 HydrophobicContact CG2-CE 4.02Å; I745-V756 HydrophobicContact CG2-CG2 4.26Å
746	E	69.2	Low	70.4	Confident	59 Å²	59	65.1 Å²	65.1	28%	0.276	34%	0.34	S	S	.	.	H	α-helix	trans	-64.3	-52.7	178.9	177.6	173.2	-151.2	0	0	112.6	L742 K748 N749 Y774	L742-E746 PolarHBondContact O-N 2.81Å; E746-K748 PolarHBondContact O-N 2.8Å; E746-N749 PolarHBondContact O-N 3.43Å; E746-N749 VanDerWaalsContact O-N 3.16Å; E746-Y774 HydrophobicContact CB-CD2 3.72Å; E746-Y774 HydrophobicContact CB-CE2 3.84Å; E746-Y774 HydrophobicContact CG-CD2 3.66Å; E746-Y774 HydrophobicContact CG-CE2 3.95Å
747	N	70	Confident	70.5	Confident	119 Å²	119	60.5 Å²	60.5	64%	0.636	32%	0.322	S	S	*	.	H	α-helix	trans	-59.3	-34.4	-177.6	-74.7	-29.3	0	0	0	112.7	K743	K743-N747 PolarHBondContact O-N 2.77Å; K743-N747 PolarHBondContact O-ND2 3.15Å
748	K	65.6	Low	70.5	Confident	90 Å²	90	60.8 Å²	60.8	39%	0.391	33%	0.327	S	S	.	.	H	α-helix	trans	-98.1	2.2	-177.1	-68	-171.8	177.9	-174.9	0	113.5	E714 H744 E746 L750	E714-K748 IonicContact OE1-NZ 2.59Å; E714-K748 PolarHBondContact OE1-NZ 3.15Å; H744-K748 PolarHBondContact O-N 2.97Å; E746-K748 PolarHBondContact O-N 2.8Å; K748-L750 HydrophobicContact CB-CD1 4Å; K748-L750 HydrophobicContact CB-CD2 3.74Å; K748-L750 HydrophobicContact CB-CG 3.59Å; K748-L750 PolarHBondContact O-N 3.34Å
749	N	65.1	Low	70.4	Confident	90 Å²	90	61.6 Å²	61.6	48%	0.481	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	40.1	-176.2	-78.9	-48.5	0	0	0	113.5	I745 E746 M751 K778	I745-N749 PolarHBondContact O-N 3.19Å; I745-N749 VanDerWaalsContact O-N 3.08Å; E746-N749 PolarHBondContact O-N 3.43Å; E746-N749 VanDerWaalsContact O-N 3.16Å; N749-M751 PolarHBondContact O-N 2.87Å; N749-K778 VanDerWaalsContact CG-NZ 3.27Å; N749-K778 PolarHBondContact OD1-NZ 3.34Å
750	L	66.5	Low	70.4	Confident	45 Å²	45	59.6 Å²	59.6	24%	0.236	31%	0.314	C	S	.	.			trans	-72.1	-32.8	-168.6	-63.3	176.2	0	0	0	113.3	P717 I745 K748	P717-L750 HydrophobicContact CB-CD1 4.07Å; P717-L750 HydrophobicContact CB-CD2 3.75Å; P717-L750 HydrophobicContact CB-CG 4.46Å; P717-L750 HydrophobicContact CG-CD2 4.19Å; I745-L750 HydrophobicContact CG1-CD1 4.49Å; I745-L750 HydrophobicContact CG2-CB 4.34Å; I745-L750 PolarHBondContact O-N 3.44Å; I745-L750 VanDerWaalsContact O-N 3.15Å; K748-L750 HydrophobicContact CB-CD1 4Å; K748-L750 HydrophobicContact CB-CD2 3.74Å; K748-L750 HydrophobicContact CB-CG 3.59Å; K748-L750 PolarHBondContact O-N 3.34Å
751	M	66.4	Low	70.1	Confident	11 Å²	11	61 Å²	61	5%	0.054	33%	0.326	C	S	.	.	S	Bend	trans	-127.3	144	-179.2	-75.7	-168.4	-81.6	0	0	112.3	E721 L724 I745 N749 L755 V756 Y774	E721-M751 HydrophobicContact CG-CE 4.13Å; E721-M751 HydrophobicContact CG-CG 4.38Å; E721-M751 HydrophobicContact CG-SD 4.01Å; E721-M751 WeakPolarHBondContact OE1-CG 3.24Å; L724-M751 HydrophobicContact CD2-CE 3.81Å; I745-M751 HydrophobicContact CD1-CE 3.42Å; I745-M751 VanDerWaalsContact CD1-CE 3.42Å; I745-M751 HydrophobicContact CG1-CE 4.04Å; I745-M751 HydrophobicContact CG2-CB 4.15Å; I745-M751 HydrophobicContact CG2-CE 4.02Å; N749-M751 PolarHBondContact O-N 2.87Å; M751-L755 HydrophobicContact CB-CD2 4.41Å; M751-L755 HydrophobicContact CG-CD2 4.04Å; M751-L755 HydrophobicContact SD-CD2 3.93Å; M751-L755 HydrophobicContact SD-CG 4.17Å; M751-V756 HydrophobicContact CB-CG2 3.6Å; M751-V756 HydrophobicContact CE-CG2 4.11Å; M751-V756 HydrophobicContact SD-CG2 4.4Å; M751-Y774 PolarHBondContact O-OH 2.85Å; M751-Y774 VanDerWaalsContact O-OH 3.13Å
752	P	70.4	Confident	69.7	Low	80 Å²	80	68.3 Å²	68.3	52%	0.519	36%	0.359	S	S	.	.			trans	-58.3	142.6	167	-22.6	33.2	0	0	0	110.5	L754 L755 V756	P752-L754 PolarHBondContact O-N 3.36Å; P752-L755 HydrophobicContact CB-CB 4.44Å; P752-L755 WeakPolarHBondContact O-CB 3.5Å; P752-L755 PolarHBondContact O-N 3.22Å; P752-V756 PolarHBondContact O-N 3.1Å
753	P	70	Confident	69.2	Low	34 Å²	34	68.4 Å²	68.4	22%	0.221	36%	0.36	C	S	.	.	H	α-helix	trans	-60.6	-26.4	-177.4	-22.4	30.2	0	0	0	114.4	V757 Y774 L775 K778	P753-V757 WeakPolarHBondContact O-CG2 3.45Å; P753-V757 PolarHBondContact O-N 3.19Å; P753-Y774 HydrophobicContact CB-CE1 3.73Å; P753-Y774 HydrophobicContact CG-CE1 4.12Å; P753-L775 HydrophobicContact CB-CD2 3.46Å; P753-L775 VanDerWaalsContact CB-CD2 3.46Å; P753-K778 HydrophobicContact CG-CB 4.5Å; P753-K778 HydrophobicContact CG-CG 3.99Å
754	L	71.3	Confident	68.3	Low	130 Å²	130	66.7 Å²	66.7	68%	0.681	37%	0.366	S	S	*	.	H	α-helix	trans	-65	-39.6	173.3	-165.6	82.9	0	0	0	112.2	P752 Q758	P752-L754 PolarHBondContact O-N 3.36Å; L754-Q758 WeakPolarHBondContact O-CG 3.48Å; L754-Q758 PolarHBondContact O-N 3.36Å; L754-Q758 VanDerWaalsContact O-N 3.11Å
755	L	69.6	Low	67.7	Low	73 Å²	73	65.6 Å²	65.6	38%	0.382	37%	0.366	S	S	.	.	H	α-helix	trans	-71.5	-43.7	-176.4	-173	63.6	0	0	0	110.7	M751 P752 V757 Q758 T759	M751-L755 HydrophobicContact CB-CD2 4.41Å; M751-L755 HydrophobicContact CG-CD2 4.04Å; M751-L755 HydrophobicContact SD-CD2 3.93Å; M751-L755 HydrophobicContact SD-CG 4.17Å; P752-L755 HydrophobicContact CB-CB 4.44Å; P752-L755 WeakPolarHBondContact O-CB 3.5Å; P752-L755 PolarHBondContact O-N 3.22Å; L755-V757 VanDerWaalsContact C-N 3.27Å; L755-V757 PolarHBondContact O-N 3.19Å; L755-Q758 WeakPolarHBondContact O-CA 3.35Å; L755-Q758 WeakPolarHBondContact O-CB 3.22Å; L755-Q758 PolarHBondContact O-N 3.37Å; L755-T759 PolarHBondContact O-N 3.08Å; L755-T759 PolarHBondContact O-OG1 3.36Å
756	V	73	Confident	67.1	Low	1 Å²	1	67.9 Å²	67.9	1%	0.006	39%	0.385	C	S	.	.	H	α-helix	trans	-56.8	-41.6	176	179.5	0	0	0	0	111.7	L742 I745 M751 P752 L760 Y774	L742-V756 HydrophobicContact CD2-CG1 3.54Å; I745-V756 HydrophobicContact CG2-CG2 4.26Å; M751-V756 HydrophobicContact CB-CG2 3.6Å; M751-V756 HydrophobicContact CE-CG2 4.11Å; M751-V756 HydrophobicContact SD-CG2 4.4Å; P752-V756 PolarHBondContact O-N 3.1Å; V756-L760 HydrophobicContact CG1-CD1 4.12Å; V756-L760 PolarHBondContact O-N 3.3Å; V756-Y774 HydrophobicContact CG2-CE1 4.37Å
757	V	72.3	Confident	66.8	Low	61 Å²	61	69 Å²	69	37%	0.37	40%	0.396	S	S	.	.	H	α-helix	trans	-67.2	-39.9	176.4	174	0	0	0	0	110.9	P753 L755 A761 I771 L775	P753-V757 WeakPolarHBondContact O-CG2 3.45Å; P753-V757 PolarHBondContact O-N 3.19Å; L755-V757 VanDerWaalsContact C-N 3.27Å; L755-V757 PolarHBondContact O-N 3.19Å; V757-A761 WeakPolarHBondContact O-CB 3.33Å; V757-A761 PolarHBondContact O-N 3.05Å; V757-I771 HydrophobicContact CG2-CG2 4.01Å; V757-L775 HydrophobicContact CG2-CD1 4.38Å
758	Q	70.5	Confident	66.5	Low	103 Å²	103	70.4 Å²	70.4	48%	0.481	40%	0.402	S	S	.	.	H	α-helix	trans	-66.3	-41.7	177.2	-76.4	177.7	-22.5	0	0	113.2	L754 L755 A761 H762	L754-Q758 WeakPolarHBondContact O-CG 3.48Å; L754-Q758 PolarHBondContact O-N 3.36Å; L754-Q758 VanDerWaalsContact O-N 3.11Å; L755-Q758 WeakPolarHBondContact O-CA 3.35Å; L755-Q758 WeakPolarHBondContact O-CB 3.22Å; L755-Q758 PolarHBondContact O-N 3.37Å; Q758-A761 PolarHBondContact O-N 3.29Å; Q758-H762 PolarHBondContact O-CE1 3.35Å; Q758-H762 PolarHBondContact O-ND1 3.47Å
759	T	69.1	Low	66.5	Low	35 Å²	35	69.9 Å²	69.9	22%	0.215	41%	0.41	C	S	.	.	H	α-helix	trans	-67.1	-39.6	179.1	1.6	0	0	0	0	112	L755	L755-T759 PolarHBondContact O-N 3.08Å; L755-T759 PolarHBondContact O-OG1 3.36Å
760	L	70.1	Confident	66.7	Low	9 Å²	9	69 Å²	69	5%	0.047	41%	0.408	C	S	.	.	H	α-helix	trans	-77.9	-22.9	178.1	-70.7	171.3	0	0	0	113.5	L724 V738 L742 V756 H762 N763 I771	L724-L760 HydrophobicContact CD1-CD2 4.1Å; V738-L760 HydrophobicContact CG1-CD2 4.02Å; L742-L760 HydrophobicContact CD1-CD1 3.96Å; L742-L760 HydrophobicContact CD2-CD1 4.04Å; V756-L760 HydrophobicContact CG1-CD1 4.12Å; V756-L760 PolarHBondContact O-N 3.3Å; L760-H762 PolarHBondContact O-N 2.95Å; L760-H762 VanDerWaalsContact O-N 3.16Å; L760-N763 PolarHBondContact O-N 2.98Å; L760-N763 VanDerWaalsContact O-N 3.1Å; L760-I771 HydrophobicContact CB-CD1 4.06Å; L760-I771 HydrophobicContact CD1-CD1 3.44Å; L760-I771 VanDerWaalsContact CD1-CD1 3.44Å; L760-I771 HydrophobicContact CD1-CG1 3.82Å; L760-I771 HydrophobicContact CG-CD1 4.41Å
761	A	67.3	Low	67	Low	78 Å²	78	68 Å²	68	65%	0.645	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.7	175.2	0	0	0	0	0	113.5	V757 Q758 N763	V757-A761 WeakPolarHBondContact O-CB 3.33Å; V757-A761 PolarHBondContact O-N 3.05Å; Q758-A761 PolarHBondContact O-N 3.29Å; A761-N763 VanDerWaalsContact C-N 3.27Å; A761-N763 PolarHBondContact O-N 3.08Å
762	H	65	Low	67.3	Low	160 Å²	160	75.8 Å²	75.8	74%	0.741	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-8.8	176.1	-69.3	78.4	0	0	0	113.5	Q758 L760	Q758-H762 PolarHBondContact O-CE1 3.35Å; Q758-H762 PolarHBondContact O-ND1 3.47Å; L760-H762 PolarHBondContact O-N 2.95Å; L760-H762 VanDerWaalsContact O-N 3.16Å
763	N	63.6	Low	67.4	Low	25 Å²	25	77.4 Å²	77.4	13%	0.134	44%	0.436	C	S	.	.			trans	-105.3	126.8	179.8	-162.5	-29.5	0	0	0	110.8	A728 L760 A761 T765 A766	A728-N763 VanDerWaalsContact O-CB 3.28Å; A728-N763 WeakPolarHBondContact O-CB 3.48Å; A728-N763 VanDerWaalsContact O-CG 3.31Å; A728-N763 PolarHBondContact O-ND2 2.98Å; A728-N763 VanDerWaalsContact O-ND2 3.09Å; L760-N763 PolarHBondContact O-N 2.98Å; L760-N763 VanDerWaalsContact O-N 3.1Å; A761-N763 VanDerWaalsContact C-N 3.27Å; A761-N763 PolarHBondContact O-N 3.08Å; N763-T765 PolarHBondContact O-N 2.9Å; N763-T765 PolarHBondContact OD1-N 3.38Å; N763-T765 PolarHBondContact OD1-OG1 3.06Å; N763-A766 HydrophobicContact CB-CB 4.48Å
764	S	56.4	Low	67.6	Low	111 Å²	111	76.9 Å²	76.9	78%	0.776	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-11.8	178.7	56.8	0	0	0	0	113.8
765	T	58	Low	67.9	Low	61 Å²	61	73.7 Å²	73.7	37%	0.374	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-6.1	-174	65	0	0	0	0	114.7	N763	N763-T765 PolarHBondContact O-N 2.9Å; N763-T765 PolarHBondContact OD1-N 3.38Å; N763-T765 PolarHBondContact OD1-OG1 3.06Å
766	A	60.7	Low	68.4	Low	50 Å²	50	74.2 Å²	74.2	41%	0.413	42%	0.419	S	S	.	.			trans	-86.2	117.7	-177.3	0	0	0	0	0	112.3	N763	N763-A766 HydrophobicContact CB-CB 4.48Å
767	T	62.2	Low	68.6	Low	84 Å²	84	80.1 Å²	80.1	52%	0.515	45%	0.446	S	S	.	.			trans	-86	143	176.7	51	0	0	0	0	112.3	S769 V770	T767-S769 PolarHBondContact O-N 3.13Å; T767-S769 PolarHBondContact OG1-OG 3.13Å; T767-V770 PolarHBondContact O-N 3.43Å
768	L	64	Low	68.8	Low	147 Å²	147	80 Å²	80	77%	0.77	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-58.1	-16.3	-179.7	-149.2	140.8	0	0	0	113.5	V770 I771 R772	L768-V770 PolarHBondContact O-N 3.14Å; L768-I771 PolarHBondContact O-N 2.85Å; L768-R772 PolarHBondContact O-N 2.78Å
769	S	65.6	Low	69.2	Low	80 Å²	80	80.5 Å²	80.5	56%	0.559	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-58.9	-30	171.8	58.7	0	0	0	0	113.7	T767 I771	T767-S769 PolarHBondContact O-N 3.13Å; T767-S769 PolarHBondContact OG1-OG 3.13Å; S769-I771 VanDerWaalsContact C-N 3.34Å; S769-I771 PolarHBondContact O-N 2.97Å
770	V	68.8	Low	69.9	Low	72 Å²	72	85.4 Å²	85.4	44%	0.436	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-76.3	-21.8	-175.4	-175.5	0	0	0	0	112.1	L742 T767 L768	L742-V770 HydrophobicContact CD1-CG1 3.59Å; T767-V770 PolarHBondContact O-N 3.43Å; L768-V770 PolarHBondContact O-N 3.14Å
771	I	71.9	Confident	70.3	Confident	23 Å²	23	92.2 Å²	92.2	12%	0.118	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-17.2	-172.1	-50.1	170.3	0	0	0	113	V757 L760 L768 S769 D773 Y774 L775	V757-I771 HydrophobicContact CG2-CG2 4.01Å; L760-I771 HydrophobicContact CB-CD1 4.06Å; L760-I771 HydrophobicContact CD1-CD1 3.44Å; L760-I771 VanDerWaalsContact CD1-CD1 3.44Å; L760-I771 HydrophobicContact CD1-CG1 3.82Å; L760-I771 HydrophobicContact CG-CD1 4.41Å; L768-I771 PolarHBondContact O-N 2.85Å; S769-I771 VanDerWaalsContact C-N 3.34Å; S769-I771 PolarHBondContact O-N 2.97Å; I771-D773 PolarHBondContact O-N 3.29Å; I771-Y774 HydrophobicContact CG2-CD1 4.36Å; I771-Y774 PolarHBondContact O-N 2.92Å; I771-L775 HydrophobicContact CG2-CD1 4.12Å; I771-L775 HydrophobicContact CG2-CG 4.29Å; I771-L775 PolarHBondContact O-N 2.92Å
772	R	73.4	Confident	70.8	Confident	174 Å²	174	93.6 Å²	93.6	66%	0.657	49%	0.489	S	S	*	.	H	α-helix	trans	-55.9	-47.4	-173.4	-179.8	-178.3	175.8	176.4	-1.5	113.6	L768 Y774 L775	L768-R772 PolarHBondContact O-N 2.78Å; R772-Y774 VanDerWaalsContact C-N 3.31Å; R772-Y774 PolarHBondContact O-N 3.48Å; R772-L775 PolarHBondContact O-N 3.44Å
773	D	73.3	Confident	71.7	Confident	114 Å²	114	90.1 Å²	90.1	61%	0.61	48%	0.483	S	S	*	.	H	α-helix	trans	-69.5	-33.3	-172.9	-65.1	-25.6	0	0	0	111.9	I771	I771-D773 PolarHBondContact O-N 3.29Å
774	Y	74.6	Confident	72.8	Confident	24 Å²	24	95.9 Å²	95.9	9%	0.094	51%	0.509	C	S	.	.	H	α-helix	trans	-63.1	-41.9	176.3	168.5	-106.1	0	0	0	112.9	E746 M751 P753 V756 I771 R772	E746-Y774 HydrophobicContact CB-CD2 3.72Å; E746-Y774 HydrophobicContact CB-CE2 3.84Å; E746-Y774 HydrophobicContact CG-CD2 3.66Å; E746-Y774 HydrophobicContact CG-CE2 3.95Å; M751-Y774 PolarHBondContact O-OH 2.85Å; M751-Y774 VanDerWaalsContact O-OH 3.13Å; P753-Y774 HydrophobicContact CB-CE1 3.73Å; P753-Y774 HydrophobicContact CG-CE1 4.12Å; V756-Y774 HydrophobicContact CG2-CE1 4.37Å; I771-Y774 HydrophobicContact CG2-CD1 4.36Å; I771-Y774 PolarHBondContact O-N 2.92Å; R772-Y774 VanDerWaalsContact C-N 3.31Å; R772-Y774 PolarHBondContact O-N 3.48Å
775	L	75.8	Confident	73.9	Confident	63 Å²	63	96 Å²	96	33%	0.33	50%	0.497	S	S	.	.	H	α-helix	trans	-70.5	-38.8	-175.4	-74.3	167.5	0	0	0	113.7	P753 V757 I771 R772	P753-L775 HydrophobicContact CB-CD2 3.46Å; P753-L775 VanDerWaalsContact CB-CD2 3.46Å; V757-L775 HydrophobicContact CG2-CD1 4.38Å; I771-L775 HydrophobicContact CG2-CD1 4.12Å; I771-L775 HydrophobicContact CG2-CG 4.29Å; I771-L775 PolarHBondContact O-N 2.92Å; R772-L775 PolarHBondContact O-N 3.44Å
776	V	80.1	Confident	75	Confident	83 Å²	83	98.5 Å²	98.5	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-65.5	-43	-174.9	173	0	0	0	0	111.5	K778	V776-K778 PolarHBondContact O-N 2.76Å
777	Q	77.2	Confident	76.2	Confident	125 Å²	125	99 Å²	99	58%	0.584	51%	0.511	S	S	*	.	H	α-helix	trans	-68.4	-35.1	-176	-63.9	-176.1	25.6	0	0	112.2
778	K	77.4	Confident	77.2	Confident	58 Å²	58	100.9 Å²	100.9	25%	0.252	51%	0.514	S	S	.	.	H	α-helix	trans	-68.9	-38.9	-176.4	-168.9	66.7	176.5	-174.4	0	113.3	N749 P753 V776	N749-K778 VanDerWaalsContact CG-NZ 3.27Å; N749-K778 PolarHBondContact OD1-NZ 3.34Å; P753-K778 HydrophobicContact CG-CB 4.5Å; P753-K778 HydrophobicContact CG-CG 3.99Å; V776-K778 PolarHBondContact O-N 2.76Å
779	L	78.9	Confident	77.9	Confident	114 Å²	114	97.5 Å²	97.5	60%	0.597	50%	0.497	S	S	*	.	H	α-helix	trans	-69.7	-39	-176.1	-76.8	167	0	0	0	113.3	K781 Q782	L779-K781 VanDerWaalsContact C-N 3.28Å; L779-K781 PolarHBondContact O-N 3.26Å; L779-Q782 PolarHBondContact O-N 2.85Å
780	Q	83.1	Confident	78.9	Confident	138 Å²	138	99.6 Å²	99.6	65%	0.645	50%	0.498	S	S	*	.	H	α-helix	trans	-62.3	-36.5	-179.8	-72.9	-178.9	-16	0	0	112.7	Q782	Q780-Q782 PolarHBondContact O-N 3.43Å
781	K	79.3	Confident	79.8	Confident	152 Å²	152	101.7 Å²	101.7	66%	0.661	51%	0.506	S	S	*	.	H	α-helix	trans	-66.1	-34.8	-178.5	-169.4	173.2	179.4	175.3	0	112.9	L779	L779-K781 VanDerWaalsContact C-N 3.28Å; L779-K781 PolarHBondContact O-N 3.26Å
782	Q	78.3	Confident	80.2	Confident	107 Å²	107	107 Å²	107	50%	0.5	52%	0.524	S	S	.	.	H	α-helix	trans	-71.7	-40	-177.7	-72.9	-178.2	-36.8	0	0	112.9	L779 Q780 Q784 Q785	L779-Q782 PolarHBondContact O-N 2.85Å; Q780-Q782 PolarHBondContact O-N 3.43Å; Q782-Q784 VanDerWaalsContact C-N 3.29Å; Q782-Q784 PolarHBondContact O-N 3.24Å; Q782-Q785 PolarHBondContact O-N 3.15Å
783	S	83.6	Confident	80.6	Confident	87 Å²	87	102.2 Å²	102.2	61%	0.608	51%	0.514	S	S	*	.	H	α-helix	trans	-62.8	-32.1	-177.3	-63.6	0	0	0	0	113.9	Q785	S783-Q785 VanDerWaalsContact C-N 3.35Å
784	Q	85.6	Confident	81.3	Confident	146 Å²	146	105.3 Å²	105.3	68%	0.682	52%	0.518	S	S	*	.	H	α-helix	trans	-69.5	-31.8	179.5	-71.3	179.9	-9.6	0	0	113.1	Q782	Q782-Q784 VanDerWaalsContact C-N 3.29Å; Q782-Q784 PolarHBondContact O-N 3.24Å
785	Q	79.9	Confident	82	Confident	115 Å²	115	112.1 Å²	112.1	54%	0.537	54%	0.543	S	S	.	.	H	α-helix	trans	-69.8	-41.7	-176.7	-169.1	169.6	-7.5	0	0	111.7	Q782 S783 A787 Q788	Q782-Q785 PolarHBondContact O-N 3.15Å; S783-Q785 VanDerWaalsContact C-N 3.35Å; Q785-A787 VanDerWaalsContact C-N 3.32Å; Q785-A787 PolarHBondContact O-N 3.48Å; Q785-Q788 PolarHBondContact O-N 3.18Å
786	I	80.6	Confident	82.2	Confident	113 Å²	113	116.5 Å²	116.5	58%	0.579	56%	0.556	S	S	*	*	H	α-helix	trans	-59	-41.6	-177.7	-63.6	171.3	0	0	0	112	Q788 D789	I786-Q788 VanDerWaalsContact C-N 3.29Å; I786-Q788 PolarHBondContact O-N 3.23Å; I786-D789 PolarHBondContact O-N 2.8Å
787	A	87	Confident	82.4	Confident	60 Å²	60	121.2 Å²	121.2	50%	0.496	57%	0.565	S	S	.	*	H	α-helix	trans	-65	-29.7	-176.8	0	0	0	0	0	113.7	Q785	Q785-A787 VanDerWaalsContact C-N 3.32Å; Q785-A787 PolarHBondContact O-N 3.48Å
788	Q	83.2	Confident	83	Confident	124 Å²	124	121.7 Å²	121.7	58%	0.579	57%	0.567	S	S	*	*	H	α-helix	trans	-74.5	-35.1	-178.1	-66.7	-175	-1.8	0	0	112.4	Q785 I786	Q785-Q788 PolarHBondContact O-N 3.18Å; I786-Q788 VanDerWaalsContact C-N 3.29Å; I786-Q788 PolarHBondContact O-N 3.23Å
789	D	77.7	Confident	83.3	Confident	76 Å²	76	123.8 Å²	123.8	41%	0.406	58%	0.578	S	S	.	*	H	α-helix	trans	-74.5	-34.1	-175.1	-70.3	-30.4	0	0	0	112.6	I786 L791 R792 V793	I786-D789 PolarHBondContact O-N 2.8Å; D789-L791 VanDerWaalsContact C-N 3.29Å; D789-L791 PolarHBondContact O-N 3.35Å; D789-R792 PolarHBondContact O-N 2.99Å; D789-R792 IonicContact OD1-NH1 3.12Å; D789-R792 PolarHBondContact OD1-NH1 3.43Å; D789-R792 VanDerWaalsContact OD1-NH1 3.12Å; D789-V793 PolarHBondContact O-N 3.12Å
790	E	86.6	Confident	83.2	Confident	124 Å²	124	121.4 Å²	121.4	58%	0.579	57%	0.568	S	S	*	*	H	α-helix	trans	-60.4	-35.6	177	-70	-169	156.1	0	0	113.5	R792	E790-R792 VanDerWaalsContact C-N 3.34Å; E790-R792 PolarHBondContact O-N 3.14Å
791	L	89.2	Confident	83.4	Confident	115 Å²	115	118.8 Å²	118.8	60%	0.602	56%	0.562	S	S	*	*	H	α-helix	trans	-66.1	-35	178.4	-97.5	155.7	0	0	0	112.6	D789	D789-L791 VanDerWaalsContact C-N 3.29Å; D789-L791 PolarHBondContact O-N 3.35Å
792	R	80.3	Confident	83.8	Confident	135 Å²	135	118.8 Å²	118.8	51%	0.509	56%	0.558	S	S	.	*	H	α-helix	trans	-69.8	-40.4	-179.9	-69	179.1	176.7	146.8	-5.9	111.6	D789 E790 R794 R795 Y796	D789-R792 PolarHBondContact O-N 2.99Å; D789-R792 IonicContact OD1-NH1 3.12Å; D789-R792 PolarHBondContact OD1-NH1 3.43Å; D789-R792 VanDerWaalsContact OD1-NH1 3.12Å; E790-R792 VanDerWaalsContact C-N 3.34Å; E790-R792 PolarHBondContact O-N 3.14Å; R792-R794 VanDerWaalsContact C-N 3.3Å; R792-R794 PolarHBondContact O-N 2.87Å; R792-R795 PolarHBondContact O-N 2.99Å; R792-Y796 WeakPolarHBondContact O-CD2 3.44Å
793	V	81.1	Confident	84.1	Confident	74 Å²	74	117.7 Å²	117.7	45%	0.448	55%	0.554	S	S	.	*	H	α-helix	trans	-61.3	-36.3	-177.1	174.6	0	0	0	0	112.6	D789	D789-V793 PolarHBondContact O-N 3.12Å
794	R	88.8	Confident	84	Confident	179 Å²	179	121.7 Å²	121.7	68%	0.675	56%	0.556	S	S	*	*	H	α-helix	trans	-65.3	-46.8	-179.2	-67.6	-173.8	-172.6	177.9	3.8	112.4	R792 Y796 R797	R792-R794 VanDerWaalsContact C-N 3.3Å; R792-R794 PolarHBondContact O-N 2.87Å; R794-Y796 PolarHBondContact O-N 3.09Å; R794-R797 PolarHBondContact O-N 2.87Å
795	R	88.4	Confident	83.9	Confident	167 Å²	167	120.8 Å²	120.8	63%	0.63	55%	0.552	S	S	*	*	H	α-helix	trans	-57.9	-46.6	-178.7	-94.3	-172.3	-89.9	174.4	-8.9	112.9	R792 R797 E798 E799	R792-R795 PolarHBondContact O-N 2.99Å; R795-R797 VanDerWaalsContact C-N 3.29Å; R795-R797 PolarHBondContact O-N 3.39Å; R795-E798 PolarHBondContact O-N 3.47Å; R795-E799 PolarHBondContact O-N 2.87Å
796	Y	79.8	Confident	83.9	Confident	155 Å²	155	120.8 Å²	120.8	61%	0.608	55%	0.552	S	S	*	*	H	α-helix	trans	-65.9	-27.8	-176.9	-66.1	-44.1	0	0	0	114.3	R792 R794 T800	R792-Y796 WeakPolarHBondContact O-CD2 3.44Å; R794-Y796 PolarHBondContact O-N 3.09Å; Y796-T800 PolarHBondContact O-N 3.38Å; Y796-T800 PolarHBondContact O-OG1 2.76Å
797	R	83.8	Confident	83.9	Confident	181 Å²	181	119.5 Å²	119.5	68%	0.683	55%	0.545	S	S	*	.	H	α-helix	trans	-69.1	-39	178.2	-74	-176.4	177.9	179.2	0.9	112.5	R794 R795 T800 T801	R794-R797 PolarHBondContact O-N 2.87Å; R795-R797 VanDerWaalsContact C-N 3.29Å; R795-R797 PolarHBondContact O-N 3.39Å; R797-T800 PolarHBondContact O-N 2.81Å; R797-T801 PolarHBondContact O-N 3.23Å
798	E	90.1	Very high	83.5	Confident	136 Å²	136	123.5 Å²	123.5	64%	0.636	55%	0.554	S	S	*	*	H	α-helix	trans	-68.9	-38.8	-178.8	-68	173.2	178.8	0	0	112.2	R795 T801 R802	R795-E798 PolarHBondContact O-N 3.47Å; E798-T801 PolarHBondContact O-OG1 3.44Å; E798-R802 PolarHBondContact O-N 2.87Å
799	E	83.4	Confident	83.4	Confident	101 Å²	101	123.9 Å²	123.9	47%	0.472	56%	0.555	S	S	.	*	H	α-helix	trans	-68	-38.3	176.7	-70.1	-176	149.5	0	0	112.2	R795 T801 R802 I803	R795-E799 PolarHBondContact O-N 2.87Å; E799-T801 VanDerWaalsContact C-N 3.33Å; E799-T801 PolarHBondContact O-N 3.25Å; E799-R802 PolarHBondContact O-N 3.17Å; E799-I803 WeakPolarHBondContact O-CG1 3.08Å; E799-I803 PolarHBondContact O-N 3.43Å
800	T	77.8	Confident	83.3	Confident	65 Å²	65	124.5 Å²	124.5	40%	0.399	56%	0.558	S	S	.	*	H	α-helix	trans	-64.2	-37.5	-178.5	-57.5	0	0	0	0	112.2	Y796 R797 R804	Y796-T800 PolarHBondContact O-N 3.38Å; Y796-T800 PolarHBondContact O-OG1 2.76Å; R797-T800 PolarHBondContact O-N 2.81Å; T800-R804 WeakPolarHBondContact O-CG 3.5Å; T800-R804 PolarHBondContact O-N 2.78Å
801	T	87.9	Confident	82.7	Confident	82 Å²	82	127.1 Å²	127.1	50%	0.503	57%	0.568	S	S	.	*	H	α-helix	trans	-69.5	-40.5	179.2	51.8	0	0	0	0	111.5	R797 E798 E799 R804 Q805	R797-T801 PolarHBondContact O-N 3.23Å; E798-T801 PolarHBondContact O-OG1 3.44Å; E799-T801 VanDerWaalsContact C-N 3.33Å; E799-T801 PolarHBondContact O-N 3.25Å; T801-R804 PolarHBondContact O-N 3.42Å; T801-Q805 PolarHBondContact O-N 3.42Å
802	R	88.1	Confident	82.2	Confident	153 Å²	153	125.9 Å²	125.9	58%	0.577	57%	0.574	S	S	*	*	H	α-helix	trans	-58.4	-49.8	176.7	-169.9	-174.8	75.3	-157	-0.3	112.1	E798 E799 R804 Q805 E806	E798-R802 PolarHBondContact O-N 2.87Å; E799-R802 PolarHBondContact O-N 3.17Å; R802-R804 VanDerWaalsContact C-N 3.3Å; R802-R804 PolarHBondContact O-N 3Å; R802-Q805 PolarHBondContact O-N 3.29Å; R802-E806 PolarHBondContact O-N 3.27Å
803	I	83.1	Confident	81.8	Confident	83 Å²	83	122.8 Å²	122.8	43%	0.426	57%	0.573	S	S	.	*	H	α-helix	trans	-62.5	-36.8	-177.8	-66.3	169.5	0	0	0	111.6	E799 Q805 E806 I807	E799-I803 WeakPolarHBondContact O-CG1 3.08Å; E799-I803 PolarHBondContact O-N 3.43Å; I803-Q805 VanDerWaalsContact C-N 3.34Å; I803-Q805 PolarHBondContact O-N 2.89Å; I803-E806 PolarHBondContact O-N 3.47Å; I803-I807 HydrophobicContact CG2-CD1 4.09Å; I803-I807 WeakPolarHBondContact O-CG1 3.13Å; I803-I807 PolarHBondContact O-N 3.25Å
804	R	81.8	Confident	81.3	Confident	172 Å²	172	125.3 Å²	125.3	65%	0.649	59%	0.591	S	S	*	*	H	α-helix	trans	-65.8	-35.3	178.8	-74.5	179	-178.1	172.5	1.8	113.2	T800 T801 R802 Q808	T800-R804 WeakPolarHBondContact O-CG 3.5Å; T800-R804 PolarHBondContact O-N 2.78Å; T801-R804 PolarHBondContact O-N 3.42Å; R802-R804 VanDerWaalsContact C-N 3.3Å; R802-R804 PolarHBondContact O-N 3Å; R804-Q808 PolarHBondContact O-N 2.86Å
805	Q	84.4	Confident	80.4	Confident	127 Å²	127	121.2 Å²	121.2	59%	0.593	58%	0.578	S	S	*	*	H	α-helix	trans	-65.3	-45	176.7	-71.2	175.5	-19.4	0	0	110.9	T801 R802 I803 I807 Q808 E809	T801-Q805 PolarHBondContact O-N 3.42Å; R802-Q805 PolarHBondContact O-N 3.29Å; I803-Q805 VanDerWaalsContact C-N 3.34Å; I803-Q805 PolarHBondContact O-N 2.89Å; Q805-I807 VanDerWaalsContact C-N 3.34Å; Q805-I807 PolarHBondContact O-N 3.26Å; Q805-Q808 PolarHBondContact O-N 3.17Å; Q805-Q808 VanDerWaalsContact O-N 3.08Å; Q805-E809 PolarHBondContact O-N 3.23Å; Q805-E809 VanDerWaalsContact O-N 3.09Å
806	E	79.3	Confident	79.6	Confident	114 Å²	114	119.7 Å²	119.7	53%	0.533	58%	0.581	S	S	.	*	H	α-helix	trans	-60.1	-41.2	178.2	-170.5	175.6	-175.1	0	0	112.6	R802 I803 Q808 E809 L810	R802-E806 PolarHBondContact O-N 3.27Å; I803-E806 PolarHBondContact O-N 3.47Å; E806-Q808 VanDerWaalsContact C-N 3.29Å; E806-Q808 PolarHBondContact O-N 3.26Å; E806-E809 PolarHBondContact O-N 3.36Å; E806-L810 WeakPolarHBondContact O-CG 3.32Å; E806-L810 PolarHBondContact O-N 2.9Å; E806-L810 VanDerWaalsContact O-N 3.17Å
807	I	79.7	Confident	79.2	Confident	86 Å²	86	115.7 Å²	115.7	44%	0.441	57%	0.567	S	S	.	*	H	α-helix	trans	-61.7	-38	175.6	-67.4	168.8	0	0	0	111.6	I803 Q805 K811	I803-I807 HydrophobicContact CG2-CD1 4.09Å; I803-I807 WeakPolarHBondContact O-CG1 3.13Å; I803-I807 PolarHBondContact O-N 3.25Å; Q805-I807 VanDerWaalsContact C-N 3.34Å; Q805-I807 PolarHBondContact O-N 3.26Å; I807-K811 PolarHBondContact O-N 3.03Å
808	Q	79.7	Confident	78.3	Confident	145 Å²	145	114.8 Å²	114.8	68%	0.678	57%	0.571	S	S	*	*	H	α-helix	trans	-71.5	-39.1	-178.4	-169.1	170.1	-0.4	0	0	111.7	R804 Q805 E806 K811 A812	R804-Q808 PolarHBondContact O-N 2.86Å; Q805-Q808 PolarHBondContact O-N 3.17Å; Q805-Q808 VanDerWaalsContact O-N 3.08Å; E806-Q808 VanDerWaalsContact C-N 3.29Å; E806-Q808 PolarHBondContact O-N 3.26Å; Q808-K811 PolarHBondContact O-N 2.97Å; Q808-A812 PolarHBondContact O-N 3.19Å
809	E	80.1	Confident	77.3	Confident	131 Å²	131	113.4 Å²	113.4	61%	0.612	56%	0.562	S	S	*	*	H	α-helix	trans	-61	-44	174.7	-71.7	179.1	-178.6	0	0	112	Q805 E806 K811 S813	Q805-E809 PolarHBondContact O-N 3.23Å; Q805-E809 VanDerWaalsContact O-N 3.09Å; E806-E809 PolarHBondContact O-N 3.36Å; E809-K811 VanDerWaalsContact C-N 3.26Å; E809-K811 PolarHBondContact O-N 2.65Å; E809-S813 PolarHBondContact O-N 3.05Å; E809-S813 PolarHBondContact O-OG 3.35Å
810	L	75.9	Confident	76.8	Confident	89 Å²	89	113.7 Å²	113.7	47%	0.466	57%	0.571	S	S	.	*	H	α-helix	trans	-63.8	-26.3	178.9	-71.5	172.3	0	0	0	113.8	E806 K815	E806-L810 WeakPolarHBondContact O-CG 3.32Å; E806-L810 PolarHBondContact O-N 2.9Å; E806-L810 VanDerWaalsContact O-N 3.17Å; L810-K815 HydrophobicContact CD2-CD 4.49Å
811	K	74.7	Confident	76.9	Confident	179 Å²	179	116.6 Å²	116.6	78%	0.778	58%	0.578	S	S	*	*	H	α-helix	trans	-86.1	-32.9	-179	-75.4	-174.2	178.4	-176.8	0	114.3	I807 Q808 E809	I807-K811 PolarHBondContact O-N 3.03Å; Q808-K811 PolarHBondContact O-N 2.97Å; E809-K811 VanDerWaalsContact C-N 3.26Å; E809-K811 PolarHBondContact O-N 2.65Å
812	A	77.3	Confident	76.5	Confident	90 Å²	90	112.7 Å²	112.7	74%	0.744	55%	0.554	S	S	*	*	H	α-helix	trans	-107.2	-14.5	-165.9	0	0	0	0	0	114.5	Q808	Q808-A812 PolarHBondContact O-N 3.19Å
813	S	72.9	Confident	76	Confident	69 Å²	69	107.2 Å²	107.2	48%	0.483	54%	0.54	S	S	.	.	S	Bend	trans	-114.5	137.8	-173.7	68.9	0	0	0	0	112.9	E809 K815	E809-S813 PolarHBondContact O-N 3.05Å; E809-S813 PolarHBondContact O-OG 3.35Å; S813-K815 PolarHBondContact O-N 3.45Å
814	P	70.8	Confident	75.7	Confident	127 Å²	127	106 Å²	106	83%	0.825	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-70.6	129.1	173.6	26.9	-31.1	0	0	0	110.4
815	K	68.6	Low	75.4	Confident	93 Å²	93	100.5 Å²	100.5	40%	0.404	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-96.5	120.1	-176.7	-158.5	163.6	-173.2	169.1	0	110.6	L810 S813 L837	L810-K815 HydrophobicContact CD2-CD 4.49Å; S813-K815 PolarHBondContact O-N 3.45Å; K815-L837 HydrophobicContact CB-CD2 4.42Å; K815-L837 WeakPolarHBondContact CD-O 3.12Å; K815-L837 WeakPolarHBondContact CE-O 3.42Å; K815-L837 PolarHBondContact NZ-O 2.83Å
816	I	72.6	Confident	75.1	Confident	135 Å²	135	100.1 Å²	100.1	69%	0.692	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-87.4	123.2	-179.8	-53.5	175.2	0	0	0	109.3	Q818	I816-Q818 HydrophobicContact CG2-CG 3.79Å
817	F	70.9	Confident	74.9	Confident	72 Å²	72	98 Å²	98	32%	0.316	52%	0.52	S	S	.	.			trans	-95.2	100.5	175.9	-60.2	-75.6	0	0	0	110.5	H835 F836 L837	F817-H835 HydrophobicContact CD1-CB 4.34Å; F817-H835 HydrophobicContact CD2-CB 4.08Å; F817-H835 HydrophobicContact CE2-CB 4.24Å; F817-H835 HydrophobicContact CG-CB 4.12Å; F817-H835 HydrophobicContact CZ-CB 4.44Å; F817-F836 WeakPolarHBondContact CE1-O 3.31Å; F817-L837 HydrophobicContact CZ-CD2 4.26Å
818	Q	65.7	Low	75	Confident	162 Å²	162	97.2 Å²	97.2	76%	0.757	53%	0.527	S	S	*	.			trans	-97.6	5.2	-179.9	-61.7	-175.6	-5.5	0	0	113.7	I816 T820	I816-Q818 HydrophobicContact CG2-CG 3.79Å; Q818-T820 PolarHBondContact O-N 3.49Å
819	K	68.7	Low	74.9	Confident	106 Å²	106	92.1 Å²	92.1	46%	0.461	50%	0.504	S	S	.	.			trans	-75.4	118.3	-177.5	-73.1	-171.3	-178.5	171.9	0	110.4	L829 G839	K819-L829 VanDerWaalsContact O-CD1 3.22Å; K819-L829 WeakPolarHBondContact O-CD1 3.36Å; K819-G839 VanDerWaalsContact CD-O 3.28Å; K819-G839 WeakPolarHBondContact CD-O 3.41Å; K819-G839 WeakPolarHBondContact CE-O 3.5Å; K819-G839 PolarHBondContact NZ-O 3.37Å
820	T	72.8	Confident	74.6	Confident	107 Å²	107	92.8 Å²	92.8	66%	0.656	51%	0.507	S	S	*	.			trans	-92.5	-0.3	-179.4	52.2	0	0	0	0	113.9	Q818 A828 L829	Q818-T820 PolarHBondContact O-N 3.49Å; T820-A828 WeakPolarHBondContact O-CA 3.48Å; T820-L829 PolarHBondContact O-N 3.12Å
821	K	79.2	Confident	74.5	Confident	126 Å²	126	96.2 Å²	96.2	55%	0.548	53%	0.525	S	S	.	.	B	Isolated β-bridge	trans	-124.1	144	-179.5	-62.9	-178.9	178.9	-175.3	0	111.9	S827 L829	K821-S827 WeakPolarHBondContact CA-O 3.38Å; K821-L829 VanDerWaalsContact C-CD1 3.46Å; K821-L829 WeakPolarHBondContact O-CD1 3.48Å
822	C	79.8	Confident	74.5	Confident	0 Å²	0	91.4 Å²	91.4	0%	0	51%	0.512	C	S	.	.			trans	-71.8	135.2	175.7	174.3	0	0	0	0	110.6	I824 C825 N826 S827 L829 S841 H843	C822-I824 PolarHBondContact O-N 3.09Å; C822-C825 VanDerWaalsContact CB-SG 3.52Å; C822-N826 WeakPolarHBondContact O-CA 3.42Å; C822-N826 PolarHBondContact O-N 2.95Å; C822-S827 PolarHBondContact N-O 3.31Å; C822-L829 HydrophobicContact CB-CD2 4.2Å; C822-L829 HydrophobicContact CB-CG 4.34Å; C822-S841 WeakPolarHBondContact CA-O 3.44Å; C822-H843 VanDerWaalsContact CB-CE1 3.49Å; C822-H843 WeakPolarHBondContact CB-CE1 3.43Å; C822-H843 WeakPolarHBondContact CB-ND1 3.34Å; C822-H843 PolarHBondContact SG-ND1 2.91Å
823	S	78.1	Confident	74.6	Confident	39 Å²	39	88.8 Å²	88.8	27%	0.273	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.7	-174	-49	0	0	0	0	113.9	S841	S823-S841 PolarHBondContact N-O 3.4Å; S823-S841 PolarHBondContact OG-N 2.95Å; S823-S841 PolarHBondContact OG-O 2.82Å; S823-S841 VanDerWaalsContact OG-O 3.12Å
824	I	77.3	Confident	74.9	Confident	58 Å²	58	87.5 Å²	87.5	30%	0.297	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-56.4	176	-67.1	163.4	0	0	0	110.7	C822 F842 C846 Y850	C822-I824 PolarHBondContact O-N 3.09Å; I824-F842 HydrophobicContact CB-CD1 4.47Å; I824-F842 HydrophobicContact CD1-CD1 3.51Å; I824-F842 HydrophobicContact CD1-CE1 3.81Å; I824-F842 HydrophobicContact CD1-CG 4.43Å; I824-F842 HydrophobicContact CG1-CD1 3.64Å; I824-F842 HydrophobicContact CG1-CE1 3.68Å; I824-C846 HydrophobicContact CD1-CB 4.49Å; I824-C846 WeakPolarHBondContact CD1-O 3.32Å; I824-Y850 HydrophobicContact CD1-CD2 4.31Å; I824-Y850 HydrophobicContact CD1-CG 4.31Å; I824-Y850 HydrophobicContact CG2-CD2 4.03Å; I824-Y850 HydrophobicContact CG2-CE2 3.98Å
825	C	75.3	Confident	75.4	Confident	55 Å²	55	85.2 Å²	85.2	37%	0.372	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-7.2	-174.6	68.7	0	0	0	0	114.1	C822 S827 H843	C822-C825 VanDerWaalsContact CB-SG 3.52Å; C825-S827 PolarHBondContact O-N 3.49Å; C825-H843 VanDerWaalsContact SG-CE1 3.58Å; C825-H843 PolarHBondContact SG-ND1 2.79Å; C825-H843 VanDerWaalsContact SG-ND1 3.43Å
826	N	77.4	Confident	75.9	Confident	120 Å²	120	82 Å²	82	64%	0.642	44%	0.442	S	S	*	.			trans	58.1	3.3	-177.2	-97	-17	0	0	0	116.5	C822	C822-N826 WeakPolarHBondContact O-CA 3.42Å; C822-N826 PolarHBondContact O-N 2.95Å
827	S	76	Confident	76	Confident	68 Å²	68	81.2 Å²	81.2	48%	0.476	44%	0.438	S	S	.	.	S	Bend	trans	-73.7	159.4	172.8	-60	0	0	0	0	111.9	K821 C822 C825 L829	K821-S827 WeakPolarHBondContact CA-O 3.38Å; C822-S827 PolarHBondContact N-O 3.31Å; C825-S827 PolarHBondContact O-N 3.49Å; S827-L829 PolarHBondContact O-N 2.84Å
828	A	80.6	Confident	76.1	Confident	70 Å²	70	80.7 Å²	80.7	58%	0.579	44%	0.443	S	S	*	.	B	Isolated β-bridge	trans	-58.1	136.2	175.9	0	0	0	0	0	110.7	T820 E830 H843	T820-A828 WeakPolarHBondContact O-CA 3.48Å; A828-E830 PolarHBondContact O-N 2.88Å; A828-H843 PolarHBondContact O-CE1 2.93Å; A828-H843 PolarHBondContact O-NE2 3.03Å
829	L	78.6	Confident	76.7	Confident	39 Å²	39	73.7 Å²	73.7	20%	0.204	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-69.1	122.3	-178.5	-86.2	152.7	0	0	0	110.7	K819 T820 K821 C822 S827 F842 H843	K819-L829 VanDerWaalsContact O-CD1 3.22Å; K819-L829 WeakPolarHBondContact O-CD1 3.36Å; T820-L829 PolarHBondContact O-N 3.12Å; K821-L829 VanDerWaalsContact C-CD1 3.46Å; K821-L829 WeakPolarHBondContact O-CD1 3.48Å; C822-L829 HydrophobicContact CB-CD2 4.2Å; C822-L829 HydrophobicContact CB-CG 4.34Å; S827-L829 PolarHBondContact O-N 2.84Å; L829-F842 VanDerWaalsContact CD2-C 3.46Å; L829-H843 WeakPolarHBondContact CA-NE2 3.26Å
830	E	74.6	Confident	77.2	Confident	145 Å²	145	70.6 Å²	70.6	68%	0.678	40%	0.401	S	S	*	.			trans	-106.3	148.6	173.2	-67.7	179.7	-177.5	0	0	109.3	A828 P832 H843	A828-E830 PolarHBondContact O-N 2.88Å; E830-P832 CarbonylContact O-C 3.49Å; E830-H843 PolarHBondContact N-CD2 3.47Å; E830-H843 VanDerWaalsContact N-CD2 3.26Å; E830-H843 PolarHBondContact N-NE2 3.32Å; E830-H843 VanDerWaalsContact N-NE2 3.19Å
831	L	73.8	Confident	77.7	Confident	160 Å²	160	65.5 Å²	65.5	84%	0.838	37%	0.37	S	S	*	.	S	Bend	trans	-77.7	135.7	178	-66.4	172.5	0	0	0	109.7
832	P	74.1	Confident	77.8	Confident	79 Å²	79	59.5 Å²	59.5	51%	0.513	34%	0.344	S	S	.	.	S	Bend	cis	-84.7	142.4	4.5	29.7	-32.3	0	0	0	115.2	E830 Q844	E830-P832 CarbonylContact O-C 3.49Å; P832-Q844 HydrophobicContact CB-CB 4.33Å; P832-Q844 VanDerWaalsContact CB-OE1 3.29Å; P832-Q844 HydrophobicContact CG-CB 3.95Å; P832-Q844 WeakPolarHBondContact O-CB 3.01Å; P832-Q844 PolarHBondContact O-N 2.69Å
833	S	78.9	Confident	77.9	Confident	35 Å²	35	60.6 Å²	60.6	25%	0.245	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.1	-179.8	58.2	0	0	0	0	113.6	H835 F842	S833-H835 PolarHBondContact OG-NE2 2.93Å; S833-H835 VanDerWaalsContact OG-NE2 3.09Å; S833-F842 CarbonylContact C-O 3.58Å; S833-F842 WeakPolarHBondContact CA-O 3.34Å; S833-F842 WeakPolarHBondContact CB-O 3.46Å
834	V	80.3	Confident	77.9	Confident	42 Å²	42	62.5 Å²	62.5	26%	0.255	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.1	-180	-176.8	0	0	0	0	110	F836 S841 F842 F847	V834-F836 HydrophobicContact CG1-CD2 4.45Å; V834-F836 HydrophobicContact CG1-CE2 3.88Å; V834-F836 HydrophobicContact CG1-CZ 4.33Å; V834-S841 WeakPolarHBondContact O-CA 3.37Å; V834-F842 PolarHBondContact N-O 3.47Å; V834-F842 PolarHBondContact O-N 3.28Å; V834-F847 HydrophobicContact CG2-CD1 4.32Å
835	H	80.5	Confident	77.9	Confident	79 Å²	79	66.2 Å²	66.2	37%	0.366	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.5	-177.1	-58.2	-75.7	0	0	0	111.4	F817 S833 S841	F817-H835 HydrophobicContact CD1-CB 4.34Å; F817-H835 HydrophobicContact CD2-CB 4.08Å; F817-H835 HydrophobicContact CE2-CB 4.24Å; F817-H835 HydrophobicContact CG-CB 4.12Å; F817-H835 HydrophobicContact CZ-CB 4.44Å; S833-H835 PolarHBondContact OG-NE2 2.93Å; S833-H835 VanDerWaalsContact OG-NE2 3.09Å; H835-S841 PolarHBondContact CE1-OG 2.9Å; H835-S841 VanDerWaalsContact ND1-CB 3.3Å; H835-S841 WeakPolarHBondContact ND1-CB 3.08Å; H835-S841 PolarHBondContact ND1-OG 3.5Å
836	F	78.1	Confident	77.9	Confident	26 Å²	26	64.8 Å²	64.8	11%	0.114	36%	0.359	C	S	.	.			trans	-102.9	145.3	177.5	-73.5	-89.9	0	0	0	111.8	F817 V834 C838 G839 H840 F842 F847 D856 C857	F817-F836 WeakPolarHBondContact CE1-O 3.31Å; V834-F836 HydrophobicContact CG1-CD2 4.45Å; V834-F836 HydrophobicContact CG1-CE2 3.88Å; V834-F836 HydrophobicContact CG1-CZ 4.33Å; F836-C838 WeakPolarHBondContact CB-SG 3.31Å; F836-C838 PolarHBondContact O-N 3.33Å; F836-G839 WeakPolarHBondContact O-CA 3.36Å; F836-G839 PolarHBondContact O-N 3.26Å; F836-H840 PolarHBondContact N-O 3.48Å; F836-F842 AromaticContact CD2-CD2 3.86Å; F836-F842 HydrophobicContact CD2-CD2 3.86Å; F836-F842 AromaticContact CD2-CE2 3.6Å; F836-F842 HydrophobicContact CD2-CE2 3.6Å; F836-F842 AromaticContact CE2-CD2 3.9Å; F836-F842 HydrophobicContact CE2-CD2 3.9Å; F836-F842 AromaticContact CE2-CE2 3.87Å; F836-F842 HydrophobicContact CE2-CE2 3.87Å; F836-F847 AromaticContact CE2-CD2 3.97Å; F836-F847 HydrophobicContact CE2-CD2 3.97Å; F836-F847 AromaticContact CE2-CE2 3.59Å; F836-F847 HydrophobicContact CE2-CE2 3.59Å; F836-F847 HydrophobicContact CE2-CZ 4.29Å; F836-F847 HydrophobicContact CZ-CD2 4.23Å; F836-F847 AromaticContact CZ-CE2 3.39Å; F836-F847 HydrophobicContact CZ-CE2 3.39Å; F836-F847 AromaticContact CZ-CZ 3.75Å; F836-F847 HydrophobicContact CZ-CZ 3.75Å; F836-D856 VanDerWaalsContact CZ-O 3.31Å; F836-D856 WeakPolarHBondContact CZ-O 3.13Å; F836-C857 HydrophobicContact CB-CB 4.06Å; F836-C857 HydrophobicContact CD1-CB 3.79Å; F836-C857 HydrophobicContact CD2-CB 4.02Å; F836-C857 HydrophobicContact CE1-CB 4.24Å; F836-C857 HydrophobicContact CE2-CB 4.43Å; F836-C857 HydrophobicContact CG-CB 3.67Å
837	L	74.9	Confident	78	Confident	117 Å²	117	59.5 Å²	59.5	61%	0.613	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.6	178	-72.6	171.5	0	0	0	114.5	K815 F817 G839	K815-L837 HydrophobicContact CB-CD2 4.42Å; K815-L837 WeakPolarHBondContact CD-O 3.12Å; K815-L837 WeakPolarHBondContact CE-O 3.42Å; K815-L837 PolarHBondContact NZ-O 2.83Å; F817-L837 HydrophobicContact CZ-CD2 4.26Å; L837-G839 PolarHBondContact O-N 3.19Å
838	C	74.4	Confident	78	Confident	61 Å²	61	61.4 Å²	61.4	41%	0.412	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-7.8	168.2	65.6	0	0	0	0	113.3	F836 H840 C857	F836-C838 WeakPolarHBondContact CB-SG 3.31Å; F836-C838 PolarHBondContact O-N 3.33Å; C838-H840 PolarHBondContact SG-ND1 3.43Å; C838-C857 PolarHBondContact SG-SG 3.22Å
839	G	76.7	Confident	77.6	Confident	15 Å²	15	61.5 Å²	61.5	16%	0.155	33%	0.328	C	S	.	.	S	Bend	trans	89.6	14.1	179.8	0	0	0	0	0	114.4	K819 F836 L837	K819-G839 VanDerWaalsContact CD-O 3.28Å; K819-G839 WeakPolarHBondContact CD-O 3.41Å; K819-G839 WeakPolarHBondContact CE-O 3.5Å; K819-G839 PolarHBondContact NZ-O 3.37Å; F836-G839 WeakPolarHBondContact O-CA 3.36Å; F836-G839 PolarHBondContact O-N 3.26Å; L837-G839 PolarHBondContact O-N 3.19Å
840	H	81.1	Confident	77.1	Confident	41 Å²	41	67.3 Å²	67.3	19%	0.19	35%	0.349	C	S	.	.			trans	-97.6	136.5	174.8	-64.6	122.5	0	0	0	110.8	F836 C838 F842 C860	F836-H840 PolarHBondContact N-O 3.48Å; C838-H840 PolarHBondContact SG-ND1 3.43Å; H840-F842 HydrophobicContact CB-CE2 3.74Å; H840-F842 HydrophobicContact CB-CZ 3.65Å; H840-C860 VanDerWaalsContact CE1-SG 3.51Å; H840-C860 PolarHBondContact ND1-SG 3.05Å
841	S	81.3	Confident	76.7	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.7	-177.7	-55.1	0	0	0	0	109.8	C822 S823 V834 H835	C822-S841 WeakPolarHBondContact CA-O 3.44Å; S823-S841 PolarHBondContact N-O 3.4Å; S823-S841 PolarHBondContact OG-N 2.95Å; S823-S841 PolarHBondContact OG-O 2.82Å; S823-S841 VanDerWaalsContact OG-O 3.12Å; V834-S841 WeakPolarHBondContact O-CA 3.37Å; H835-S841 PolarHBondContact CE1-OG 2.9Å; H835-S841 VanDerWaalsContact ND1-CB 3.3Å; H835-S841 WeakPolarHBondContact ND1-CB 3.08Å; H835-S841 PolarHBondContact ND1-OG 3.5Å
842	F	81.4	Confident	76.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	152	-176.7	-50.4	-82	0	0	0	111.5	I824 L829 S833 V834 F836 H840 F847 T859	I824-F842 HydrophobicContact CB-CD1 4.47Å; I824-F842 HydrophobicContact CD1-CD1 3.51Å; I824-F842 HydrophobicContact CD1-CE1 3.81Å; I824-F842 HydrophobicContact CD1-CG 4.43Å; I824-F842 HydrophobicContact CG1-CD1 3.64Å; I824-F842 HydrophobicContact CG1-CE1 3.68Å; L829-F842 VanDerWaalsContact CD2-C 3.46Å; S833-F842 CarbonylContact C-O 3.58Å; S833-F842 WeakPolarHBondContact CA-O 3.34Å; S833-F842 WeakPolarHBondContact CB-O 3.46Å; V834-F842 PolarHBondContact N-O 3.47Å; V834-F842 PolarHBondContact O-N 3.28Å; F836-F842 AromaticContact CD2-CD2 3.86Å; F836-F842 HydrophobicContact CD2-CD2 3.86Å; F836-F842 AromaticContact CD2-CE2 3.6Å; F836-F842 HydrophobicContact CD2-CE2 3.6Å; F836-F842 AromaticContact CE2-CD2 3.9Å; F836-F842 HydrophobicContact CE2-CD2 3.9Å; F836-F842 AromaticContact CE2-CE2 3.87Å; F836-F842 HydrophobicContact CE2-CE2 3.87Å; H840-F842 HydrophobicContact CB-CE2 3.74Å; H840-F842 HydrophobicContact CB-CZ 3.65Å; F842-F847 HydrophobicContact CB-CB 4.18Å; F842-T859 WeakPolarHBondContact CZ-OG1 3.41Å
843	H	82.8	Confident	75.7	Confident	24 Å²	24	61.2 Å²	61.2	11%	0.111	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	146.1	162.9	-60.6	104	0	0	0	109.3	C822 C825 A828 L829 E830 H845 C846 F847	C822-H843 VanDerWaalsContact CB-CE1 3.49Å; C822-H843 WeakPolarHBondContact CB-CE1 3.43Å; C822-H843 WeakPolarHBondContact CB-ND1 3.34Å; C822-H843 PolarHBondContact SG-ND1 2.91Å; C825-H843 VanDerWaalsContact SG-CE1 3.58Å; C825-H843 PolarHBondContact SG-ND1 2.79Å; C825-H843 VanDerWaalsContact SG-ND1 3.43Å; A828-H843 PolarHBondContact O-CE1 2.93Å; A828-H843 PolarHBondContact O-NE2 3.03Å; L829-H843 WeakPolarHBondContact CA-NE2 3.26Å; E830-H843 PolarHBondContact N-CD2 3.47Å; E830-H843 VanDerWaalsContact N-CD2 3.26Å; E830-H843 PolarHBondContact N-NE2 3.32Å; E830-H843 VanDerWaalsContact N-NE2 3.19Å; H843-H845 VanDerWaalsContact C-N 3.28Å; H843-H845 PolarHBondContact O-N 3.42Å; H843-C846 HydrophobicContact CB-CB 4.01Å; H843-C846 PolarHBondContact O-N 3.09Å; H843-C846 VanDerWaalsContact O-N 3.09Å; H843-F847 PolarHBondContact O-N 3.31Å
844	Q	79.1	Confident	75	Confident	78 Å²	78	66.3 Å²	66.3	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-54.4	-45.3	177.8	-178.4	172.4	-14.5	0	0	111.8	P832 C846 F847 E848	P832-Q844 HydrophobicContact CB-CB 4.33Å; P832-Q844 VanDerWaalsContact CB-OE1 3.29Å; P832-Q844 HydrophobicContact CG-CB 3.95Å; P832-Q844 WeakPolarHBondContact O-CB 3.01Å; P832-Q844 PolarHBondContact O-N 2.69Å; Q844-C846 PolarHBondContact O-N 3.49Å; Q844-F847 WeakPolarHBondContact O-CB 3.47Å; Q844-F847 PolarHBondContact O-N 3.13Å; Q844-E848 HydrophobicContact CG-CG 4.44Å; Q844-E848 WeakPolarHBondContact CG-OE1 2.99Å; Q844-E848 PolarHBondContact NE2-OE1 3.49Å; Q844-E848 WeakPolarHBondContact O-CG 3.45Å; Q844-E848 PolarHBondContact O-N 3.41Å
845	H	76.8	Confident	74.4	Confident	137 Å²	137	67.9 Å²	67.9	63%	0.634	36%	0.359	S	S	*	.	H	α-helix	trans	-66.5	-36.4	178.5	-172.4	55.5	0	0	0	113.5	H843 F847 S849	H843-H845 VanDerWaalsContact C-N 3.28Å; H843-H845 PolarHBondContact O-N 3.42Å; H845-F847 VanDerWaalsContact C-N 3.3Å; H845-S849 WeakPolarHBondContact O-CB 3.21Å; H845-S849 PolarHBondContact O-N 3.19Å; H845-S849 VanDerWaalsContact O-N 3.15Å; H845-S849 PolarHBondContact O-OG 3.14Å
846	C	75.4	Confident	74.1	Confident	24 Å²	24	67.3 Å²	67.3	16%	0.162	36%	0.359	C	S	.	.	H	α-helix	trans	-70.5	-29.2	175.3	-70.2	0	0	0	0	112	I824 H843 Q844 Y850	I824-C846 HydrophobicContact CD1-CB 4.49Å; I824-C846 WeakPolarHBondContact CD1-O 3.32Å; H843-C846 HydrophobicContact CB-CB 4.01Å; H843-C846 PolarHBondContact O-N 3.09Å; H843-C846 VanDerWaalsContact O-N 3.09Å; Q844-C846 PolarHBondContact O-N 3.49Å; C846-Y850 WeakPolarHBondContact O-CD2 3.47Å
847	F	79.3	Confident	74.1	Confident	10 Å²	10	66.7 Å²	66.7	4%	0.044	36%	0.358	C	S	.	.	H	α-helix	trans	-71.5	-56.3	173.9	177.6	-108	0	0	0	110.4	V834 F836 F842 H843 Q844 H845 S849 Y850 S851 S853 P858	V834-F847 HydrophobicContact CG2-CD1 4.32Å; F836-F847 AromaticContact CE2-CD2 3.97Å; F836-F847 HydrophobicContact CE2-CD2 3.97Å; F836-F847 AromaticContact CE2-CE2 3.59Å; F836-F847 HydrophobicContact CE2-CE2 3.59Å; F836-F847 HydrophobicContact CE2-CZ 4.29Å; F836-F847 HydrophobicContact CZ-CD2 4.23Å; F836-F847 AromaticContact CZ-CE2 3.39Å; F836-F847 HydrophobicContact CZ-CE2 3.39Å; F836-F847 AromaticContact CZ-CZ 3.75Å; F836-F847 HydrophobicContact CZ-CZ 3.75Å; F842-F847 HydrophobicContact CB-CB 4.18Å; H843-F847 PolarHBondContact O-N 3.31Å; Q844-F847 WeakPolarHBondContact O-CB 3.47Å; Q844-F847 PolarHBondContact O-N 3.13Å; H845-F847 VanDerWaalsContact C-N 3.3Å; F847-S849 PolarHBondContact O-N 3.29Å; F847-Y850 PolarHBondContact O-N 3.42Å; F847-S851 WeakPolarHBondContact CE1-OG 3.26Å; F847-S851 WeakPolarHBondContact CE2-OG 3.23Å; F847-S851 VanDerWaalsContact CZ-OG 3.31Å; F847-S851 WeakPolarHBondContact CZ-OG 3.44Å; F847-S851 WeakPolarHBondContact O-CB 3.38Å; F847-S851 PolarHBondContact O-N 3.31Å; F847-S851 PolarHBondContact O-OG 2.94Å; F847-S853 WeakPolarHBondContact CZ-O 3.34Å; F847-P858 HydrophobicContact CD2-CG 4.22Å; F847-P858 HydrophobicContact CE2-CG 4.32Å
848	E	75.6	Confident	74.1	Confident	108 Å²	108	62.4 Å²	62.4	51%	0.505	34%	0.337	S	S	.	.	H	α-helix	trans	-55.3	-29.3	179.5	-71.9	170.4	-175.8	0	0	113.5	Q844	Q844-E848 HydrophobicContact CG-CG 4.44Å; Q844-E848 WeakPolarHBondContact CG-OE1 2.99Å; Q844-E848 PolarHBondContact NE2-OE1 3.49Å; Q844-E848 WeakPolarHBondContact O-CG 3.45Å; Q844-E848 PolarHBondContact O-N 3.41Å
849	S	72.9	Confident	74.2	Confident	71 Å²	71	63 Å²	63	50%	0.497	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-21.3	179.3	-57.2	0	0	0	0	114.3	H845 F847	H845-S849 WeakPolarHBondContact O-CB 3.21Å; H845-S849 PolarHBondContact O-N 3.19Å; H845-S849 VanDerWaalsContact O-N 3.15Å; H845-S849 PolarHBondContact O-OG 3.14Å; F847-S849 PolarHBondContact O-N 3.29Å
850	Y	66.3	Low	74.3	Confident	161 Å²	161	63.6 Å²	63.6	63%	0.631	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	-10	-171.2	-76.5	-86.2	0	0	0	114.3	I824 C846 F847	I824-Y850 HydrophobicContact CD1-CD2 4.31Å; I824-Y850 HydrophobicContact CD1-CG 4.31Å; I824-Y850 HydrophobicContact CG2-CD2 4.03Å; I824-Y850 HydrophobicContact CG2-CE2 3.98Å; C846-Y850 WeakPolarHBondContact O-CD2 3.47Å; F847-Y850 PolarHBondContact O-N 3.42Å
851	S	66.6	Low	74	Confident	24 Å²	24	64.2 Å²	64.2	17%	0.168	35%	0.345	C	S	.	.			trans	-94.8	135.9	172.8	64	0	0	0	0	110.9	F847 S853	F847-S851 WeakPolarHBondContact CE1-OG 3.26Å; F847-S851 WeakPolarHBondContact CE2-OG 3.23Å; F847-S851 VanDerWaalsContact CZ-OG 3.31Å; F847-S851 WeakPolarHBondContact CZ-OG 3.44Å; F847-S851 WeakPolarHBondContact O-CB 3.38Å; F847-S851 PolarHBondContact O-N 3.31Å; F847-S851 PolarHBondContact O-OG 2.94Å; S851-S853 VanDerWaalsContact C-N 3.33Å
852	E	62	Low	73.7	Confident	182 Å²	182	67.8 Å²	67.8	85%	0.85	37%	0.368	S	S	*	.	S	Bend	trans	-85.8	-10.8	170.9	-65.4	179.8	166.4	0	0	111.8
853	S	64.7	Low	73.4	Confident	51 Å²	51	74.6 Å²	74.6	36%	0.357	40%	0.4	S	S	.	.	S	Bend	trans	-149.8	140.4	-174.3	172	0	0	0	0	110.7	F847 S851 A855	F847-S853 WeakPolarHBondContact CZ-O 3.34Å; S851-S853 VanDerWaalsContact C-N 3.33Å; S853-A855 PolarHBondContact O-N 3.33Å; S853-A855 PolarHBondContact OG-N 3.14Å
854	D	65.8	Low	73	Confident	141 Å²	141	78 Å²	78	75%	0.754	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.5	-179.1	-70.1	-20.7	0	0	0	113.9
855	A	66.4	Low	72.9	Confident	75 Å²	75	80.9 Å²	80.9	62%	0.62	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-11.9	-172.3	0	0	0	0	0	114.7	S853	S853-A855 PolarHBondContact O-N 3.33Å; S853-A855 PolarHBondContact OG-N 3.14Å
856	D	74.2	Confident	72.9	Confident	67 Å²	67	81.1 Å²	81.1	36%	0.358	43%	0.426	S	S	.	.	S	Bend	trans	-116.1	138.7	-168.1	-68.5	-48.2	0	0	0	113.6	F836 P858 L861	F836-D856 VanDerWaalsContact CZ-O 3.31Å; F836-D856 WeakPolarHBondContact CZ-O 3.13Å; D856-P858 WeakPolarHBondContact O-CD 3.5Å; D856-L861 HydrophobicContact CB-CD1 4.11Å
857	C	78.8	Confident	72.8	Confident	13 Å²	13	84 Å²	84	9%	0.088	44%	0.442	C	S	.	.			trans	-77.5	119	176	176.5	0	0	0	0	110.8	F836 C838 T859 C860 L861	F836-C857 HydrophobicContact CB-CB 4.06Å; F836-C857 HydrophobicContact CD1-CB 3.79Å; F836-C857 HydrophobicContact CD2-CB 4.02Å; F836-C857 HydrophobicContact CE1-CB 4.24Å; F836-C857 HydrophobicContact CE2-CB 4.43Å; F836-C857 HydrophobicContact CG-CB 3.67Å; C838-C857 PolarHBondContact SG-SG 3.22Å; C857-T859 VanDerWaalsContact C-N 3.26Å; C857-T859 PolarHBondContact O-N 3.05Å; C857-T859 VanDerWaalsContact O-N 3.12Å; C857-C860 HydrophobicContact CB-CB 4.36Å; C857-C860 PolarHBondContact O-N 2.99Å; C857-C860 VanDerWaalsContact O-N 3.14Å; C857-L861 WeakPolarHBondContact O-CB 3.1Å; C857-L861 PolarHBondContact O-N 3.18Å
858	P	74.8	Confident	72.4	Confident	28 Å²	28	85.9 Å²	85.9	18%	0.182	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.8	-175.7	-25.9	34.5	0	0	0	114.4	F847 D856 P862	F847-P858 HydrophobicContact CD2-CG 4.22Å; F847-P858 HydrophobicContact CE2-CG 4.32Å; D856-P858 WeakPolarHBondContact O-CD 3.5Å; P858-P862 WeakPolarHBondContact O-CD 3.43Å
859	T	76.9	Confident	72.3	Confident	73 Å²	73	84.1 Å²	84.1	45%	0.448	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-32.6	-178.7	-25.3	0	0	0	0	113.7	F842 C857	F842-T859 WeakPolarHBondContact CZ-OG1 3.41Å; C857-T859 VanDerWaalsContact C-N 3.26Å; C857-T859 PolarHBondContact O-N 3.05Å; C857-T859 VanDerWaalsContact O-N 3.12Å
860	C	77.6	Confident	72.2	Confident	28 Å²	28	86.6 Å²	86.6	19%	0.189	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-18.5	-178	-64	0	0	0	0	112.3	H840 C857 P862 E863 N864	H840-C860 VanDerWaalsContact CE1-SG 3.51Å; H840-C860 PolarHBondContact ND1-SG 3.05Å; C857-C860 HydrophobicContact CB-CB 4.36Å; C857-C860 PolarHBondContact O-N 2.99Å; C857-C860 VanDerWaalsContact O-N 3.14Å; C860-P862 VanDerWaalsContact C-CD 3.42Å; C860-E863 PolarHBondContact O-N 3.37Å; C860-N864 WeakPolarHBondContact O-CB 3.49Å; C860-N864 PolarHBondContact O-N 3.47Å
861	L	76.1	Confident	72.3	Confident	54 Å²	54	80.7 Å²	80.7	28%	0.283	43%	0.43	S	S	.	.	H	α-helix	trans	-52.8	-42.3	-179.4	-174.5	65.9	0	0	0	113.7	D856 C857 E863 R865	D856-L861 HydrophobicContact CB-CD1 4.11Å; C857-L861 WeakPolarHBondContact O-CB 3.1Å; C857-L861 PolarHBondContact O-N 3.18Å; L861-E863 PolarHBondContact O-N 3.5Å; L861-R865 WeakPolarHBondContact O-CB 3.44Å; L861-R865 PolarHBondContact O-N 3.29Å
862	P	74.8	Confident	72.4	Confident	74 Å²	74	84.9 Å²	84.9	48%	0.481	44%	0.442	S	S	.	.	H	α-helix	trans	-64.9	-39.5	-177.3	-22.2	33.7	0	0	0	113.8	P858 C860 K866	P858-P862 WeakPolarHBondContact O-CD 3.43Å; C860-P862 VanDerWaalsContact C-CD 3.42Å; P862-K866 WeakPolarHBondContact O-CG 3.3Å; P862-K866 PolarHBondContact O-N 3.15Å
863	E	74.9	Confident	72.7	Confident	144 Å²	144	78 Å²	78	67%	0.673	42%	0.417	S	S	*	.	H	α-helix	trans	-76.7	-42	178.9	-68.5	-169.3	156.4	0	0	111.6	C860 L861 R865 K866 V867	C860-E863 PolarHBondContact O-N 3.37Å; L861-E863 PolarHBondContact O-N 3.5Å; E863-R865 PolarHBondContact O-N 3.14Å; E863-K866 PolarHBondContact O-N 3.08Å; E863-V867 PolarHBondContact O-N 3.16Å; E863-V867 VanDerWaalsContact O-N 3.15Å
864	N	74.6	Confident	72.8	Confident	96 Å²	96	79.3 Å²	79.3	51%	0.513	42%	0.417	S	S	.	.	H	α-helix	trans	-59.5	-39.3	172.8	-70.9	-11.3	0	0	0	110.8	C860 K866 V867 M868	C860-N864 WeakPolarHBondContact O-CB 3.49Å; C860-N864 PolarHBondContact O-N 3.47Å; N864-K866 PolarHBondContact O-N 2.7Å; N864-V867 PolarHBondContact O-N 2.61Å; N864-M868 WeakPolarHBondContact O-CB 3.45Å; N864-M868 WeakPolarHBondContact O-CG 3.48Å; N864-M868 PolarHBondContact O-N 3.27Å
865	R	76.3	Confident	72.7	Confident	137 Å²	137	74.9 Å²	74.9	52%	0.517	39%	0.392	S	S	.	.	H	α-helix	trans	-62.7	-41.9	176.7	-169.2	171.7	-174.7	165	4.1	112	L861 E863 V867 M868 D869	L861-R865 WeakPolarHBondContact O-CB 3.44Å; L861-R865 PolarHBondContact O-N 3.29Å; E863-R865 PolarHBondContact O-N 3.14Å; R865-V867 VanDerWaalsContact C-N 3.34Å; R865-V867 PolarHBondContact O-N 3.48Å; R865-M868 PolarHBondContact O-N 3.41Å; R865-D869 VanDerWaalsContact O-CB 3.27Å; R865-D869 WeakPolarHBondContact O-CB 3.45Å; R865-D869 PolarHBondContact O-N 3.42Å
866	K	76.1	Confident	72.7	Confident	143 Å²	143	78 Å²	78	62%	0.622	39%	0.394	S	S	*	.	H	α-helix	trans	-59.2	-44.1	173.8	-71.9	175.6	-176.6	175.5	0	112.2	P862 E863 N864 D869 M870	P862-K866 WeakPolarHBondContact O-CG 3.3Å; P862-K866 PolarHBondContact O-N 3.15Å; E863-K866 PolarHBondContact O-N 3.08Å; N864-K866 PolarHBondContact O-N 2.7Å; K866-D869 PolarHBondContact O-N 3.21Å; K866-M870 WeakPolarHBondContact O-CB 3.35Å; K866-M870 VanDerWaalsContact O-CG 3.31Å; K866-M870 WeakPolarHBondContact O-CG 3.14Å; K866-M870 PolarHBondContact O-N 2.75Å
867	V	74.9	Confident	72.1	Confident	84 Å²	84	80 Å²	80	51%	0.509	40%	0.399	S	S	.	.	H	α-helix	trans	-65.9	-42.9	177.7	177.8	0	0	0	0	110.8	E863 N864 R865 D869 M870 I871	E863-V867 PolarHBondContact O-N 3.16Å; E863-V867 VanDerWaalsContact O-N 3.15Å; N864-V867 PolarHBondContact O-N 2.61Å; R865-V867 VanDerWaalsContact C-N 3.34Å; R865-V867 PolarHBondContact O-N 3.48Å; V867-D869 VanDerWaalsContact C-N 3.35Å; V867-D869 PolarHBondContact O-N 3.03Å; V867-M870 PolarHBondContact O-N 3.25Å; V867-I871 HydrophobicContact CG1-CD1 4.06Å; V867-I871 WeakPolarHBondContact O-CG1 3.49Å; V867-I871 PolarHBondContact O-N 2.8Å
868	M	70.1	Confident	71.2	Confident	50 Å²	50	83 Å²	83	25%	0.246	41%	0.409	C	S	.	.	H	α-helix	trans	-67.4	-33.8	177.9	-66.6	-72	-86.9	0	0	112.8	N864 R865 R872 L912	N864-M868 WeakPolarHBondContact O-CB 3.45Å; N864-M868 WeakPolarHBondContact O-CG 3.48Å; N864-M868 PolarHBondContact O-N 3.27Å; R865-M868 PolarHBondContact O-N 3.41Å; M868-R872 WeakPolarHBondContact O-CB 3.23Å; M868-R872 WeakPolarHBondContact O-CG 3.45Å; M868-R872 PolarHBondContact O-N 2.89Å; M868-R872 PolarHBondContact O-NE 3.16Å; M868-L912 HydrophobicContact CE-CB 3.98Å; M868-L912 HydrophobicContact CE-CD1 3.68Å; M868-L912 HydrophobicContact CE-CD2 3.65Å; M868-L912 HydrophobicContact CE-CG 3.94Å; M868-L912 HydrophobicContact SD-CD1 4.1Å; M868-L912 HydrophobicContact SD-CD2 3.42Å; M868-L912 WeakPolarHBondContact SD-CD2 3.48Å; M868-L912 HydrophobicContact SD-CG 4.28Å
869	D	74.1	Confident	70.5	Confident	70 Å²	70	87.1 Å²	87.1	37%	0.374	43%	0.429	S	S	.	.	H	α-helix	trans	-73.2	-36.4	174.9	-69.5	-15.3	0	0	0	110.6	R865 K866 V867 R872 A873	R865-D869 VanDerWaalsContact O-CB 3.27Å; R865-D869 WeakPolarHBondContact O-CB 3.45Å; R865-D869 PolarHBondContact O-N 3.42Å; K866-D869 PolarHBondContact O-N 3.21Å; V867-D869 VanDerWaalsContact C-N 3.35Å; V867-D869 PolarHBondContact O-N 3.03Å; D869-R872 PolarHBondContact O-N 3.49Å; D869-R872 IonicContact OD1-CZ 2.78Å; D869-R872 VanDerWaalsContact OD1-CZ 3.28Å; D869-R872 IonicContact OD1-NE 2.79Å; D869-R872 IonicContact OD1-NH1 3.39Å; D869-R872 IonicContact OD1-NH2 3.25Å; D869-R872 PolarHBondContact OD1-NH2 3.43Å; D869-A873 WeakPolarHBondContact O-CB 3.32Å; D869-A873 PolarHBondContact O-N 2.7Å
870	M	69.3	Low	69.9	Low	124 Å²	124	87.2 Å²	87.2	61%	0.611	43%	0.427	S	S	*	.	H	α-helix	trans	-63.6	-42.9	170.8	-75.5	-179.9	69.5	0	0	111.9	K866 V867 A873 Q874	K866-M870 WeakPolarHBondContact O-CB 3.35Å; K866-M870 VanDerWaalsContact O-CG 3.31Å; K866-M870 WeakPolarHBondContact O-CG 3.14Å; K866-M870 PolarHBondContact O-N 2.75Å; V867-M870 PolarHBondContact O-N 3.25Å; M870-A873 PolarHBondContact O-N 3.03Å; M870-Q874 WeakPolarHBondContact O-CG 3.43Å; M870-Q874 PolarHBondContact O-N 3.36Å
871	I	69.2	Low	69.3	Low	36 Å²	36	90.2 Å²	90.2	19%	0.185	44%	0.437	C	S	.	.	H	α-helix	trans	-63.5	-46.9	174.9	-68.3	166.5	0	0	0	110.3	V867 A873 Q874 E875 L910 L912	V867-I871 HydrophobicContact CG1-CD1 4.06Å; V867-I871 WeakPolarHBondContact O-CG1 3.49Å; V867-I871 PolarHBondContact O-N 2.8Å; I871-A873 PolarHBondContact O-N 2.79Å; I871-Q874 WeakPolarHBondContact O-CB 3.28Å; I871-Q874 PolarHBondContact O-N 3.32Å; I871-Q874 VanDerWaalsContact O-N 3.13Å; I871-E875 PolarHBondContact O-N 2.95Å; I871-L910 HydrophobicContact CG2-CB 4.18Å; I871-L910 HydrophobicContact CG2-CD1 3.93Å; I871-L912 HydrophobicContact CD1-CD2 4.48Å; I871-L912 HydrophobicContact CG2-CD1 4.5Å; I871-L912 HydrophobicContact CG2-CD2 4.28Å
872	R	69.6	Low	68.9	Low	112 Å²	112	93.6 Å²	93.6	42%	0.423	46%	0.456	S	S	.	.	H	α-helix	trans	-62.8	-39	176.6	-84.2	-178.5	-81.4	162.2	-0.5	112.8	M868 D869 Q874 E875 Q876 L912	M868-R872 WeakPolarHBondContact O-CB 3.23Å; M868-R872 WeakPolarHBondContact O-CG 3.45Å; M868-R872 PolarHBondContact O-N 2.89Å; M868-R872 PolarHBondContact O-NE 3.16Å; D869-R872 PolarHBondContact O-N 3.49Å; D869-R872 IonicContact OD1-CZ 2.78Å; D869-R872 VanDerWaalsContact OD1-CZ 3.28Å; D869-R872 IonicContact OD1-NE 2.79Å; D869-R872 IonicContact OD1-NH1 3.39Å; D869-R872 IonicContact OD1-NH2 3.25Å; D869-R872 PolarHBondContact OD1-NH2 3.43Å; R872-Q874 VanDerWaalsContact C-N 3.3Å; R872-Q874 PolarHBondContact O-N 3.1Å; R872-E875 PolarHBondContact O-N 3.22Å; R872-Q876 WeakPolarHBondContact O-CB 3.35Å; R872-Q876 VanDerWaalsContact O-CG 3.31Å; R872-Q876 WeakPolarHBondContact O-CG 3.46Å; R872-Q876 PolarHBondContact O-N 3.39Å; R872-L912 HydrophobicContact CG-CD1 4.3Å
873	A	68.3	Low	68.5	Low	39 Å²	39	95.4 Å²	95.4	32%	0.322	46%	0.458	S	S	.	.	H	α-helix	trans	-66.4	-32.6	174.9	0	0	0	0	0	112.2	D869 M870 I871 K877	D869-A873 WeakPolarHBondContact O-CB 3.32Å; D869-A873 PolarHBondContact O-N 2.7Å; M870-A873 PolarHBondContact O-N 3.03Å; I871-A873 PolarHBondContact O-N 2.79Å; A873-K877 WeakPolarHBondContact O-CB 3.47Å; A873-K877 VanDerWaalsContact O-CG 3.24Å; A873-K877 WeakPolarHBondContact O-CG 3.4Å; A873-K877 PolarHBondContact O-N 3.29Å
874	Q	65.3	Low	68.2	Low	77 Å²	77	89.9 Å²	89.9	36%	0.36	43%	0.432	S	S	.	.	H	α-helix	trans	-69.1	-42.7	171.5	-75.2	177.2	-10.3	0	0	111.5	M870 I871 R872 K877 R878	M870-Q874 WeakPolarHBondContact O-CG 3.43Å; M870-Q874 PolarHBondContact O-N 3.36Å; I871-Q874 WeakPolarHBondContact O-CB 3.28Å; I871-Q874 PolarHBondContact O-N 3.32Å; I871-Q874 VanDerWaalsContact O-N 3.13Å; R872-Q874 VanDerWaalsContact C-N 3.3Å; R872-Q874 PolarHBondContact O-N 3.1Å; Q874-K877 PolarHBondContact O-N 2.89Å; Q874-R878 PolarHBondContact O-N 2.73Å; Q874-R878 VanDerWaalsContact O-N 3.15Å
875	E	63.8	Low	67.8	Low	49 Å²	49	89 Å²	89	23%	0.229	42%	0.424	C	S	.	.	H	α-helix	trans	-63.9	-43	175	-72.2	-167.4	141.8	0	0	112.6	I871 R872 K877 R878 L910	I871-E875 PolarHBondContact O-N 2.95Å; R872-E875 PolarHBondContact O-N 3.22Å; E875-K877 PolarHBondContact O-N 3.07Å; E875-R878 WeakPolarHBondContact O-CB 3.38Å; E875-R878 PolarHBondContact O-N 3.29Å; E875-L910 PolarHBondContact OE1-N 3.11Å
876	Q	66.8	Low	67.6	Low	141 Å²	141	88.3 Å²	88.3	66%	0.659	43%	0.427	S	S	*	.	H	α-helix	trans	-62.1	-32.6	175.8	-74.4	175.5	-6.4	0	0	112.2	R872 R878	R872-Q876 WeakPolarHBondContact O-CB 3.35Å; R872-Q876 VanDerWaalsContact O-CG 3.31Å; R872-Q876 WeakPolarHBondContact O-CG 3.46Å; R872-Q876 PolarHBondContact O-N 3.39Å; Q876-R878 VanDerWaalsContact C-N 3.31Å
877	K	62	Low	67.2	Low	107 Å²	107	86.2 Å²	86.2	47%	0.465	42%	0.419	S	S	.	.	H	α-helix	trans	-79.5	-10.3	175.8	-73.1	176	-177.6	179.9	0	113.7	A873 Q874 E875 D879 L880	A873-K877 WeakPolarHBondContact O-CB 3.47Å; A873-K877 VanDerWaalsContact O-CG 3.24Å; A873-K877 WeakPolarHBondContact O-CG 3.4Å; A873-K877 PolarHBondContact O-N 3.29Å; Q874-K877 PolarHBondContact O-N 2.89Å; E875-K877 PolarHBondContact O-N 3.07Å; K877-D879 VanDerWaalsContact C-N 3.27Å; K877-L880 HydrophobicContact CG-CD1 4.44Å
878	R	60.6	Low	66.9	Low	78 Å²	78	84.7 Å²	84.7	29%	0.294	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-41	172	-173.8	-173.1	64.7	-152.2	-8.9	110.8	Q874 E875 Q876 L880 Y901	Q874-R878 PolarHBondContact O-N 2.73Å; Q874-R878 VanDerWaalsContact O-N 3.15Å; E875-R878 WeakPolarHBondContact O-CB 3.38Å; E875-R878 PolarHBondContact O-N 3.29Å; Q876-R878 VanDerWaalsContact C-N 3.31Å; R878-L880 VanDerWaalsContact C-N 3.27Å; R878-L880 PolarHBondContact O-N 3.38Å; R878-Y901 PolarHBondContact O-OH 3.31Å; R878-Y901 VanDerWaalsContact O-OH 3.13Å
879	D	59.1	Low	66.6	Low	113 Å²	113	90.2 Å²	90.2	60%	0.604	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	0.3	-169.8	-57	-19.6	0	0	0	112.7	K877 H881	K877-D879 VanDerWaalsContact C-N 3.27Å; D879-H881 PolarHBondContact O-N 3.08Å
880	L	63.8	Low	65.7	Low	76 Å²	76	91 Å²	91	40%	0.398	44%	0.441	S	S	.	.			trans	-95.3	61.9	177.8	-68.1	168.7	0	0	0	111.9	K877 R878 D882 Q883 F884	K877-L880 HydrophobicContact CG-CD1 4.44Å; R878-L880 VanDerWaalsContact C-N 3.27Å; R878-L880 PolarHBondContact O-N 3.38Å; L880-D882 VanDerWaalsContact C-N 3.25Å; L880-D882 PolarHBondContact O-N 3.31Å; L880-Q883 HydrophobicContact CB-CB 4.4Å; L880-Q883 PolarHBondContact O-N 2.82Å; L880-F884 PolarHBondContact O-N 3.34Å
881	H	65.1	Low	65	Low	90 Å²	90	86.7 Å²	86.7	42%	0.417	42%	0.423	S	S	.	.	H	α-helix	trans	-61	-33.7	179.2	-168.9	68.4	0	0	0	112.9	D879 F884 Q885	D879-H881 PolarHBondContact O-N 3.08Å; H881-F884 WeakPolarHBondContact O-CB 3.34Å; H881-F884 PolarHBondContact O-N 3.34Å; H881-Q885 PolarHBondContact CD2-NE2 3.39Å; H881-Q885 PolarHBondContact NE2-NE2 3.37Å; H881-Q885 PolarHBondContact O-N 3.22Å
882	D	67.3	Low	64.3	Low	125 Å²	125	93.5 Å²	93.5	67%	0.668	46%	0.46	S	S	*	.	H	α-helix	trans	-70.4	-36.5	-177.6	-62.9	-29.1	0	0	0	112.9	L880 F884 Q885 H886	L880-D882 VanDerWaalsContact C-N 3.25Å; L880-D882 PolarHBondContact O-N 3.31Å; D882-F884 VanDerWaalsContact C-N 3.34Å; D882-Q885 PolarHBondContact O-N 3.38Å; D882-H886 WeakPolarHBondContact O-CB 3.36Å; D882-H886 PolarHBondContact O-N 3.12Å
883	Q	67.6	Low	64	Low	112 Å²	112	91.8 Å²	91.8	52%	0.523	46%	0.459	S	S	.	.	H	α-helix	trans	-67.8	-37.2	173.5	-78.6	-175.6	5.1	0	0	111.6	L880 H886 Q887	L880-Q883 HydrophobicContact CB-CB 4.4Å; L880-Q883 PolarHBondContact O-N 2.82Å; Q883-H886 PolarHBondContact O-N 3.45Å; Q883-Q887 WeakPolarHBondContact O-CB 3.41Å; Q883-Q887 VanDerWaalsContact O-CG 3.28Å; Q883-Q887 WeakPolarHBondContact O-CG 3.42Å; Q883-Q887 PolarHBondContact O-N 3.19Å
884	F	68.8	Low	63.9	Low	29 Å²	29	92.3 Å²	92.3	13%	0.127	46%	0.46	C	S	.	.	H	α-helix	trans	-63.1	-48.3	172.4	168.2	-106.8	0	0	0	111.2	L880 H881 D882 H886 Q887 L888 V897 I898 Y901	L880-F884 PolarHBondContact O-N 3.34Å; H881-F884 WeakPolarHBondContact O-CB 3.34Å; H881-F884 PolarHBondContact O-N 3.34Å; D882-F884 VanDerWaalsContact C-N 3.34Å; F884-H886 VanDerWaalsContact C-N 3.29Å; F884-H886 PolarHBondContact O-N 3.23Å; F884-Q887 PolarHBondContact O-N 3.4Å; F884-L888 HydrophobicContact CE1-CD1 4.11Å; F884-L888 HydrophobicContact CE2-CD1 3.71Å; F884-L888 HydrophobicContact CZ-CD1 3.48Å; F884-L888 VanDerWaalsContact CZ-CD1 3.48Å; F884-L888 WeakPolarHBondContact O-CB 3.49Å; F884-L888 PolarHBondContact O-N 3.49Å; F884-V897 HydrophobicContact CD2-CG1 4.05Å; F884-V897 HydrophobicContact CE2-CG1 3.97Å; F884-I898 HydrophobicContact CE2-CG1 4.37Å; F884-I898 HydrophobicContact CZ-CG1 3.99Å; F884-Y901 HydrophobicContact CB-CD2 3.99Å; F884-Y901 HydrophobicContact CB-CE2 3.85Å; F884-Y901 HydrophobicContact CD1-CD1 4.2Å; F884-Y901 HydrophobicContact CD1-CE1 4.15Å; F884-Y901 HydrophobicContact CD1-CG 4.49Å; F884-Y901 AromaticContact CD2-CD1 3.91Å; F884-Y901 HydrophobicContact CD2-CD1 3.91Å; F884-Y901 AromaticContact CD2-CD2 3.66Å; F884-Y901 HydrophobicContact CD2-CD2 3.66Å; F884-Y901 HydrophobicContact CD2-CE1 4.49Å; F884-Y901 HydrophobicContact CD2-CE2 4.3Å; F884-Y901 AromaticContact CD2-CG 3.44Å; F884-Y901 HydrophobicContact CD2-CG 3.44Å; F884-Y901 VanDerWaalsContact CD2-CG 3.44Å; F884-Y901 HydrophobicContact CE1-CD1 4.13Å; F884-Y901 HydrophobicContact CE1-CE1 4.34Å; F884-Y901 VanDerWaalsContact CE2-CB 3.42Å; F884-Y901 AromaticContact CE2-CD1 3.83Å; F884-Y901 HydrophobicContact CE2-CD1 3.83Å; F884-Y901 HydrophobicContact CE2-CD2 4.3Å; F884-Y901 AromaticContact CE2-CG 3.6Å; F884-Y901 HydrophobicContact CE2-CG 3.6Å; F884-Y901 HydrophobicContact CG-CD1 4.07Å; F884-Y901 AromaticContact CG-CD2 3.89Å; F884-Y901 HydrophobicContact CG-CD2 3.89Å; F884-Y901 HydrophobicContact CG-CE1 4.2Å; F884-Y901 HydrophobicContact CG-CE2 4.05Å; F884-Y901 AromaticContact CG-CG 3.91Å; F884-Y901 HydrophobicContact CG-CG 3.91Å; F884-Y901 AromaticContact CZ-CD1 3.93Å; F884-Y901 HydrophobicContact CZ-CD1 3.93Å; F884-Y901 HydrophobicContact CZ-CG 4.19Å
885	Q	66.6	Low	64.2	Low	77 Å²	77	96.1 Å²	96.1	36%	0.36	48%	0.476	S	S	.	.	H	α-helix	trans	-60.1	-39.2	176.2	-78.2	-168.1	3.3	0	0	112.4	H881 D882 L888 K889	H881-Q885 PolarHBondContact CD2-NE2 3.39Å; H881-Q885 PolarHBondContact NE2-NE2 3.37Å; H881-Q885 PolarHBondContact O-N 3.22Å; D882-Q885 PolarHBondContact O-N 3.38Å; Q885-L888 PolarHBondContact O-N 3.35Å; Q885-K889 WeakPolarHBondContact O-CB 3.41Å; Q885-K889 VanDerWaalsContact O-CG 3.27Å; Q885-K889 WeakPolarHBondContact O-CG 3.06Å; Q885-K889 PolarHBondContact O-N 3.41Å
886	H	71.9	Confident	64.5	Low	123 Å²	123	96.9 Å²	96.9	57%	0.569	49%	0.486	S	S	*	.	H	α-helix	trans	-66.2	-44.9	176.5	-171.4	39.1	0	0	0	111.6	D882 Q883 F884 L888 K889 C890	D882-H886 WeakPolarHBondContact O-CB 3.36Å; D882-H886 PolarHBondContact O-N 3.12Å; Q883-H886 PolarHBondContact O-N 3.45Å; F884-H886 VanDerWaalsContact C-N 3.29Å; F884-H886 PolarHBondContact O-N 3.23Å; H886-L888 VanDerWaalsContact C-N 3.32Å; H886-L888 PolarHBondContact O-N 3.37Å; H886-K889 PolarHBondContact O-N 3.34Å; H886-C890 PolarHBondContact CE1-SG 2.74Å; H886-C890 WeakPolarHBondContact O-CB 3.2Å; H886-C890 PolarHBondContact O-N 3.37Å; H886-C890 PolarHBondContact O-SG 3.17Å; H886-C890 VanDerWaalsContact O-SG 3.35Å
887	Q	66.3	Low	64.7	Low	98 Å²	98	91.5 Å²	91.5	46%	0.458	46%	0.463	S	S	.	.	H	α-helix	trans	-63	-38.3	175	-74.5	176.5	-2.6	0	0	112.1	Q883 F884 C890 S891 V897	Q883-Q887 WeakPolarHBondContact O-CB 3.41Å; Q883-Q887 VanDerWaalsContact O-CG 3.28Å; Q883-Q887 WeakPolarHBondContact O-CG 3.42Å; Q883-Q887 PolarHBondContact O-N 3.19Å; F884-Q887 PolarHBondContact O-N 3.4Å; Q887-C890 PolarHBondContact O-N 3.38Å; Q887-S891 WeakPolarHBondContact O-CB 3.28Å; Q887-S891 PolarHBondContact O-N 3.5Å; Q887-S891 PolarHBondContact O-OG 2.83Å; Q887-S891 VanDerWaalsContact O-OG 3.06Å; Q887-V897 HydrophobicContact CB-CG1 4.19Å
888	L	70.3	Confident	65.3	Low	53 Å²	53	88.8 Å²	88.8	28%	0.277	45%	0.454	S	S	.	.	H	α-helix	trans	-62.6	-43.6	176	-151.8	102.2	0	0	0	112	F884 Q885 H886 S891 V897 I898	F884-L888 HydrophobicContact CE1-CD1 4.11Å; F884-L888 HydrophobicContact CE2-CD1 3.71Å; F884-L888 HydrophobicContact CZ-CD1 3.48Å; F884-L888 VanDerWaalsContact CZ-CD1 3.48Å; F884-L888 WeakPolarHBondContact O-CB 3.49Å; F884-L888 PolarHBondContact O-N 3.49Å; Q885-L888 PolarHBondContact O-N 3.35Å; H886-L888 VanDerWaalsContact C-N 3.32Å; H886-L888 PolarHBondContact O-N 3.37Å; L888-S891 PolarHBondContact O-OG 3.09Å; L888-V897 HydrophobicContact CD1-CG1 4.42Å; L888-I898 HydrophobicContact CD1-CD1 3.98Å; L888-I898 HydrophobicContact CD1-CG1 3.49Å; L888-I898 VanDerWaalsContact CD1-CG1 3.49Å
889	K	62.2	Low	65.8	Low	165 Å²	165	87.6 Å²	87.6	72%	0.717	46%	0.46	S	S	*	.	H	α-helix	trans	-69.7	-31.7	179	-75.1	173.9	-178.9	176.4	0	112.6	Q885 H886	Q885-K889 WeakPolarHBondContact O-CB 3.41Å; Q885-K889 VanDerWaalsContact O-CG 3.27Å; Q885-K889 WeakPolarHBondContact O-CG 3.06Å; Q885-K889 PolarHBondContact O-N 3.41Å; H886-K889 PolarHBondContact O-N 3.34Å
890	C	55.5	Low	66.3	Low	87 Å²	87	86.3 Å²	86.3	59%	0.588	45%	0.453	S	S	*	.	H	α-helix	trans	-94.4	-14.2	-177.8	-65.2	0	0	0	0	114	H886 Q887	H886-C890 PolarHBondContact CE1-SG 2.74Å; H886-C890 WeakPolarHBondContact O-CB 3.2Å; H886-C890 PolarHBondContact O-N 3.37Å; H886-C890 PolarHBondContact O-SG 3.17Å; H886-C890 VanDerWaalsContact O-SG 3.35Å; Q887-C890 PolarHBondContact O-N 3.38Å
891	S	54.4	Low	66.6	Low	33 Å²	33	83.9 Å²	83.9	23%	0.231	44%	0.439	C	S	.	.			trans	-88.6	134.3	-179.2	69.3	0	0	0	0	112.4	Q887 L888 D893 V897	Q887-S891 WeakPolarHBondContact O-CB 3.28Å; Q887-S891 PolarHBondContact O-N 3.5Å; Q887-S891 PolarHBondContact O-OG 2.83Å; Q887-S891 VanDerWaalsContact O-OG 3.06Å; L888-S891 PolarHBondContact O-OG 3.09Å; S891-D893 PolarHBondContact O-N 2.94Å; S891-V897 WeakPolarHBondContact OG-CG2 3.22Å
892	N	54.9	Low	66.8	Low	180 Å²	180	84.7 Å²	84.7	96%	0.963	44%	0.442	S	S	*	.	S	Bend	trans	-71.8	-13.1	172.8	-69.5	-19.1	0	0	0	113.7
893	D	62.7	Low	66.7	Low	75 Å²	75	82 Å²	82	40%	0.401	44%	0.443	S	S	.	.			trans	-129.3	80.9	177.5	-177.1	10.3	0	0	0	110.3	S891 F895 S896	S891-D893 PolarHBondContact O-N 2.94Å; D893-F895 PolarHBondContact O-N 3.49Å; D893-F895 PolarHBondContact OD1-N 3.29Å; D893-S896 PolarHBondContact O-N 3.34Å; D893-S896 WeakPolarHBondContact OD2-CB 3.5Å; D893-S896 PolarHBondContact OD2-OG 3.45Å
894	S	67.4	Low	66.7	Low	51 Å²	51	80.2 Å²	80.2	36%	0.357	43%	0.432	S	S	.	.	H	α-helix	trans	-62.2	-27.6	-176.8	-39.1	0	0	0	0	112.5	V897 I898	S894-V897 PolarHBondContact O-N 3Å; S894-I898 WeakPolarHBondContact O-CB 3.36Å; S894-I898 WeakPolarHBondContact O-CD1 3.41Å; S894-I898 WeakPolarHBondContact O-CG1 3.38Å; S894-I898 PolarHBondContact O-N 3.39Å
895	F	71.1	Confident	66.4	Low	156 Å²	156	80.2 Å²	80.2	68%	0.684	44%	0.44	S	S	*	.	H	α-helix	trans	-71.6	-39.7	-176.4	-169.7	-93.8	0	0	0	111.9	D893 V897 I898 A899	D893-F895 PolarHBondContact O-N 3.49Å; D893-F895 PolarHBondContact OD1-N 3.29Å; F895-V897 VanDerWaalsContact C-N 3.32Å; F895-V897 PolarHBondContact O-N 3.33Å; F895-I898 PolarHBondContact O-N 3.41Å; F895-A899 WeakPolarHBondContact O-CB 3.21Å; F895-A899 PolarHBondContact O-N 3.36Å
896	S	70.2	Confident	66.4	Low	65 Å²	65	78.3 Å²	78.3	46%	0.455	43%	0.433	S	S	.	.	H	α-helix	trans	-62.3	-39.9	174.4	-70.1	0	0	0	0	112.2	D893 A899 D900	D893-S896 PolarHBondContact O-N 3.34Å; D893-S896 WeakPolarHBondContact OD2-CB 3.5Å; D893-S896 PolarHBondContact OD2-OG 3.45Å; S896-A899 PolarHBondContact O-N 3.46Å; S896-D900 PolarHBondContact O-N 3.35Å
897	V	71.4	Confident	65.9	Low	29 Å²	29	80.2 Å²	80.2	18%	0.176	44%	0.44	C	S	.	.	H	α-helix	trans	-66.8	-39.6	176	-179.6	0	0	0	0	111.2	F884 Q887 L888 S891 S894 F895 Y901	F884-V897 HydrophobicContact CD2-CG1 4.05Å; F884-V897 HydrophobicContact CE2-CG1 3.97Å; Q887-V897 HydrophobicContact CB-CG1 4.19Å; L888-V897 HydrophobicContact CD1-CG1 4.42Å; S891-V897 WeakPolarHBondContact OG-CG2 3.22Å; S894-V897 PolarHBondContact O-N 3Å; F895-V897 VanDerWaalsContact C-N 3.32Å; F895-V897 PolarHBondContact O-N 3.33Å; V897-Y901 WeakPolarHBondContact O-CB 3.45Å; V897-Y901 PolarHBondContact O-N 3.35Å
898	I	74.1	Confident	65.5	Low	50 Å²	50	81.7 Å²	81.7	26%	0.256	45%	0.451	S	S	.	.	H	α-helix	trans	-64.2	-45.7	175.1	-69.4	163.5	0	0	0	111.1	F884 L888 S894 F895 Y901 F902	F884-I898 HydrophobicContact CE2-CG1 4.37Å; F884-I898 HydrophobicContact CZ-CG1 3.99Å; L888-I898 HydrophobicContact CD1-CD1 3.98Å; L888-I898 HydrophobicContact CD1-CG1 3.49Å; L888-I898 VanDerWaalsContact CD1-CG1 3.49Å; S894-I898 WeakPolarHBondContact O-CB 3.36Å; S894-I898 WeakPolarHBondContact O-CD1 3.41Å; S894-I898 WeakPolarHBondContact O-CG1 3.38Å; S894-I898 PolarHBondContact O-N 3.39Å; F895-I898 PolarHBondContact O-N 3.41Å; I898-Y901 PolarHBondContact O-N 3.45Å; I898-F902 HydrophobicContact CG2-CD2 3.44Å; I898-F902 VanDerWaalsContact CG2-CD2 3.44Å; I898-F902 HydrophobicContact CG2-CE2 3.3Å; I898-F902 VanDerWaalsContact O-CD2 3.23Å; I898-F902 WeakPolarHBondContact O-CD2 3.43Å; I898-F902 PolarHBondContact O-N 3.46Å
899	A	71.6	Confident	64.8	Low	53 Å²	53	86.4 Å²	86.4	44%	0.438	47%	0.469	S	S	.	.	H	α-helix	trans	-63.8	-41.8	-179.6	0	0	0	0	0	111.9	F895 S896 G903	F895-A899 WeakPolarHBondContact O-CB 3.21Å; F895-A899 PolarHBondContact O-N 3.36Å; S896-A899 PolarHBondContact O-N 3.46Å; A899-G903 PolarHBondContact O-N 3.24Å
900	D	69.6	Low	64.5	Low	86 Å²	86	82.6 Å²	82.6	46%	0.46	46%	0.456	S	S	.	.	H	α-helix	trans	-66.2	-41.4	174.6	-174.5	58.2	0	0	0	111.7	S896 G903 R904	S896-D900 PolarHBondContact O-N 3.35Å; D900-G903 PolarHBondContact O-N 3.41Å; D900-R904 VanDerWaalsContact O-CG 3.32Å; D900-R904 WeakPolarHBondContact O-CG 3.38Å; D900-R904 PolarHBondContact O-N 3.31Å; D900-R904 IonicContact OD2-CZ 3.78Å; D900-R904 VanDerWaalsContact OD2-CZ 3.24Å; D900-R904 IonicContact OD2-NE 2.86Å; D900-R904 PolarHBondContact OD2-NE 3.49Å; D900-R904 VanDerWaalsContact OD2-NE 3.13Å; D900-R904 IonicContact OD2-NH2 2.73Å; D900-R904 PolarHBondContact OD2-NH2 3.28Å
901	Y	70.5	Confident	64.2	Low	24 Å²	24	84.3 Å²	84.3	9%	0.094	46%	0.464	C	S	.	.	H	α-helix	trans	-62.6	-44.8	176.3	-170.5	-110	0	0	0	111.9	R878 F884 V897 I898 R904 V906	R878-Y901 PolarHBondContact O-OH 3.31Å; R878-Y901 VanDerWaalsContact O-OH 3.13Å; F884-Y901 HydrophobicContact CB-CD2 3.99Å; F884-Y901 HydrophobicContact CB-CE2 3.85Å; F884-Y901 HydrophobicContact CD1-CD1 4.2Å; F884-Y901 HydrophobicContact CD1-CE1 4.15Å; F884-Y901 HydrophobicContact CD1-CG 4.49Å; F884-Y901 AromaticContact CD2-CD1 3.91Å; F884-Y901 HydrophobicContact CD2-CD1 3.91Å; F884-Y901 AromaticContact CD2-CD2 3.66Å; F884-Y901 HydrophobicContact CD2-CD2 3.66Å; F884-Y901 HydrophobicContact CD2-CE1 4.49Å; F884-Y901 HydrophobicContact CD2-CE2 4.3Å; F884-Y901 AromaticContact CD2-CG 3.44Å; F884-Y901 HydrophobicContact CD2-CG 3.44Å; F884-Y901 VanDerWaalsContact CD2-CG 3.44Å; F884-Y901 HydrophobicContact CE1-CD1 4.13Å; F884-Y901 HydrophobicContact CE1-CE1 4.34Å; F884-Y901 VanDerWaalsContact CE2-CB 3.42Å; F884-Y901 AromaticContact CE2-CD1 3.83Å; F884-Y901 HydrophobicContact CE2-CD1 3.83Å; F884-Y901 HydrophobicContact CE2-CD2 4.3Å; F884-Y901 AromaticContact CE2-CG 3.6Å; F884-Y901 HydrophobicContact CE2-CG 3.6Å; F884-Y901 HydrophobicContact CG-CD1 4.07Å; F884-Y901 AromaticContact CG-CD2 3.89Å; F884-Y901 HydrophobicContact CG-CD2 3.89Å; F884-Y901 HydrophobicContact CG-CE1 4.2Å; F884-Y901 HydrophobicContact CG-CE2 4.05Å; F884-Y901 AromaticContact CG-CG 3.91Å; F884-Y901 HydrophobicContact CG-CG 3.91Å; F884-Y901 AromaticContact CZ-CD1 3.93Å; F884-Y901 HydrophobicContact CZ-CD1 3.93Å; F884-Y901 HydrophobicContact CZ-CG 4.19Å; V897-Y901 WeakPolarHBondContact O-CB 3.45Å; V897-Y901 PolarHBondContact O-N 3.35Å; I898-Y901 PolarHBondContact O-N 3.45Å; Y901-R904 WeakPolarHBondContact O-CB 3.32Å; Y901-R904 PolarHBondContact O-N 3.24Å; Y901-V906 HydrophobicContact CD1-CG2 3.89Å; Y901-V906 HydrophobicContact CE1-CG1 4.36Å; Y901-V906 HydrophobicContact CE1-CG2 3.76Å; Y901-V906 HydrophobicContact CG-CG2 4.44Å; Y901-V906 WeakPolarHBondContact O-CG2 3.49Å
902	F	69.1	Low	64.1	Low	108 Å²	108	84.3 Å²	84.3	47%	0.474	46%	0.461	S	S	.	.	H	α-helix	trans	-65.4	-37.3	174	-78.2	-57.1	0	0	0	113	I898 R904 G905 F907	I898-F902 HydrophobicContact CG2-CD2 3.44Å; I898-F902 VanDerWaalsContact CG2-CD2 3.44Å; I898-F902 HydrophobicContact CG2-CE2 3.3Å; I898-F902 VanDerWaalsContact O-CD2 3.23Å; I898-F902 WeakPolarHBondContact O-CD2 3.43Å; I898-F902 PolarHBondContact O-N 3.46Å; F902-R904 PolarHBondContact O-N 3.43Å; F902-G905 PolarHBondContact O-N 3.18Å; F902-G905 VanDerWaalsContact O-N 3.08Å; F902-F907 HydrophobicContact CD1-CD2 4.41Å; F902-F907 AromaticContact CD1-CE2 3.68Å; F902-F907 HydrophobicContact CD1-CE2 3.68Å; F902-F907 HydrophobicContact CD1-CZ 4.43Å; F902-F907 HydrophobicContact CE1-CD2 4.44Å; F902-F907 AromaticContact CE1-CE2 3.34Å; F902-F907 HydrophobicContact CE1-CE2 3.34Å; F902-F907 AromaticContact CE1-CZ 3.71Å; F902-F907 HydrophobicContact CE1-CZ 3.71Å; F902-F907 HydrophobicContact CZ-CE2 4.48Å
903	G	63.8	Low	63.7	Low	67 Å²	67	84.4 Å²	84.4	69%	0.691	46%	0.461	S	S	*	.	H	α-helix	trans	-60.5	-21.1	176.5	0	0	0	0	0	114.1	A899 D900 G905	A899-G903 PolarHBondContact O-N 3.24Å; D900-G903 PolarHBondContact O-N 3.41Å; G903-G905 PolarHBondContact O-N 3.29Å
904	R	68.5	Low	63	Low	76 Å²	76	85.7 Å²	85.7	29%	0.287	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	2.1	175.5	-64.4	165.7	-171.5	-161.6	4.9	114.2	D900 Y901 F902	D900-R904 VanDerWaalsContact O-CG 3.32Å; D900-R904 WeakPolarHBondContact O-CG 3.38Å; D900-R904 PolarHBondContact O-N 3.31Å; D900-R904 IonicContact OD2-CZ 3.78Å; D900-R904 VanDerWaalsContact OD2-CZ 3.24Å; D900-R904 IonicContact OD2-NE 2.86Å; D900-R904 PolarHBondContact OD2-NE 3.49Å; D900-R904 VanDerWaalsContact OD2-NE 3.13Å; D900-R904 IonicContact OD2-NH2 2.73Å; D900-R904 PolarHBondContact OD2-NH2 3.28Å; Y901-R904 WeakPolarHBondContact O-CB 3.32Å; Y901-R904 PolarHBondContact O-N 3.24Å; F902-R904 PolarHBondContact O-N 3.43Å
905	G	62.8	Low	61.8	Low	29 Å²	29	88.5 Å²	88.5	30%	0.299	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	42.4	170.5	0	0	0	0	0	115.2	F902 G903 F907 N908	F902-G905 PolarHBondContact O-N 3.18Å; F902-G905 VanDerWaalsContact O-N 3.08Å; G903-G905 PolarHBondContact O-N 3.29Å; G905-F907 PolarHBondContact O-N 3.41Å; G905-F907 VanDerWaalsContact O-N 3.15Å; G905-N908 PolarHBondContact O-N 3.39Å
906	V	65.1	Low	60.3	Low	36 Å²	36	86 Å²	86	22%	0.218	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-32.4	-175.2	-175.2	0	0	0	0	114	Y901	Y901-V906 HydrophobicContact CD1-CG2 3.89Å; Y901-V906 HydrophobicContact CE1-CG1 4.36Å; Y901-V906 HydrophobicContact CE1-CG2 3.76Å; Y901-V906 HydrophobicContact CG-CG2 4.44Å; Y901-V906 WeakPolarHBondContact O-CG2 3.49Å
907	F	62.4	Low	58.8	Low	164 Å²	164	89.1 Å²	89.1	72%	0.719	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-12.7	-172.6	-59.5	-64.2	0	0	0	115.3	F902 G905	F902-F907 HydrophobicContact CD1-CD2 4.41Å; F902-F907 AromaticContact CD1-CE2 3.68Å; F902-F907 HydrophobicContact CD1-CE2 3.68Å; F902-F907 HydrophobicContact CD1-CZ 4.43Å; F902-F907 HydrophobicContact CE1-CD2 4.44Å; F902-F907 AromaticContact CE1-CE2 3.34Å; F902-F907 HydrophobicContact CE1-CE2 3.34Å; F902-F907 AromaticContact CE1-CZ 3.71Å; F902-F907 HydrophobicContact CE1-CZ 3.71Å; F902-F907 HydrophobicContact CZ-CE2 4.48Å; G905-F907 PolarHBondContact O-N 3.41Å; G905-F907 VanDerWaalsContact O-N 3.15Å
908	N	58	Low	57.2	Low	129 Å²	129	94.3 Å²	94.3	69%	0.69	53%	0.533	S	S	*	.	S	Bend	trans	-120.2	115.6	-177.7	-75.1	-19.3	0	0	0	109.7	G905 L910	G905-N908 PolarHBondContact O-N 3.39Å; N908-L910 PolarHBondContact O-N 3.3Å
909	K	55.8	Low	55.3	Low	152 Å²	152	96.2 Å²	96.2	66%	0.661	56%	0.556	S	S	*	*			trans	-66.5	120.7	171	-154	177.5	-176.8	-172.7	0	108	T911	K909-T911 PolarHBondContact O-N 3.49Å
910	L	54.8	Low	53.7	Low	84 Å²	84	105.5 Å²	105.5	44%	0.44	58%	0.58	S	S	.	*			trans	-78.9	91.1	177.9	-78.2	162.7	0	0	0	107.3	I871 E875 N908 L912	I871-L910 HydrophobicContact CG2-CB 4.18Å; I871-L910 HydrophobicContact CG2-CD1 3.93Å; E875-L910 PolarHBondContact OE1-N 3.11Å; N908-L910 PolarHBondContact O-N 3.3Å; L910-L912 PolarHBondContact O-N 3.31Å
911	T	49.2	Very low	52	Low	124 Å²	124	109.1 Å²	109.1	76%	0.761	60%	0.598	S	S	*	*			trans	-63	105.6	-178	-36	0	0	0	0	110.3	K909	K909-T911 PolarHBondContact O-N 3.49Å
912	L	52.3	Low	50.1	Low	32 Å²	32	114 Å²	114	17%	0.168	63%	0.631	C	S	.	*			trans	-77.7	129.9	171.2	-63.6	179.4	0	0	0	108.3	M868 I871 R872 L910 T914 D915	M868-L912 HydrophobicContact CE-CB 3.98Å; M868-L912 HydrophobicContact CE-CD1 3.68Å; M868-L912 HydrophobicContact CE-CD2 3.65Å; M868-L912 HydrophobicContact CE-CG 3.94Å; M868-L912 HydrophobicContact SD-CD1 4.1Å; M868-L912 HydrophobicContact SD-CD2 3.42Å; M868-L912 WeakPolarHBondContact SD-CD2 3.48Å; M868-L912 HydrophobicContact SD-CG 4.28Å; I871-L912 HydrophobicContact CD1-CD2 4.48Å; I871-L912 HydrophobicContact CG2-CD1 4.5Å; I871-L912 HydrophobicContact CG2-CD2 4.28Å; R872-L912 HydrophobicContact CG-CD1 4.3Å; L910-L912 PolarHBondContact O-N 3.31Å; L912-T914 PolarHBondContact O-N 3.32Å; L912-D915 PolarHBondContact O-N 3.37Å
913	L	48.2	Very low	48.4	Very low	183 Å²	183	114.4 Å²	114.4	96%	0.958	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	0.8	-173.9	-90	153.8	0	0	0	115.4
914	T	46.2	Very low	46.9	Very low	101 Å²	101	116.2 Å²	116.2	62%	0.62	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	-1.5	-175.7	51.8	0	0	0	0	114.7	L912	L912-T914 PolarHBondContact O-N 3.32Å
915	D	43.9	Very low	45.5	Very low	110 Å²	110	120.2 Å²	120.2	59%	0.588	68%	0.675	S	S	*	*	S	Bend	trans	-75.5	131	175.5	-78.3	-14.5	0	0	0	111.1	L912	L912-D915 PolarHBondContact O-N 3.37Å
916	P	38.9	Very low	44.3	Very low	103 Å²	103	126 Å²	126	67%	0.669	69%	0.694	S	S	*	*			trans	-65.7	147	178.1	27	-32.7	0	0	0	110.5	T918	P916-T918 PolarHBondContact O-N 3.29Å
917	P	39.1	Very low	42.9	Very low	131 Å²	131	129.6 Å²	129.6	85%	0.851	73%	0.728	S	S	*	*			trans	-69.6	97.2	-179.4	28.2	-31.9	0	0	0	109.1	A919	P917-A919 PolarHBondContact O-N 3.47Å
918	T	37.6	Very low	41.6	Very low	138 Å²	138	124.7 Å²	124.7	85%	0.847	72%	0.723	S	S	*	*			trans	-58.8	122	170.5	29.4	0	0	0	0	109.4	P916	P916-T918 PolarHBondContact O-N 3.29Å
919	A	33.8	Very low	40.7	Very low	90 Å²	90	124.3 Å²	124.3	74%	0.744	72%	0.721	S	S	*	*			trans	-53.7	145.2	-178.1	0	0	0	0	0	112.5	P917 L921	P917-A919 PolarHBondContact O-N 3.47Å; A919-L921 PolarHBondContact O-N 2.87Å
920	R	38.9	Very low	40	Very low	248 Å²	248	125.3 Å²	125.3	94%	0.936	73%	0.728	S	S	*	*			trans	-39.1	106.3	174.8	-68.3	173	174.5	175.3	-2.7	112.5
921	L	32.8	Very low	39.1	Very low	162 Å²	162	132 Å²	132	85%	0.848	75%	0.747	S	S	*	*			trans	-98.4	104.3	148	-81	163.3	0	0	0	107.1	A919	A919-L921 PolarHBondContact O-N 2.87Å
922	T	30.8	Very low	38.4	Very low	127 Å²	127	132.5 Å²	132.5	78%	0.779	75%	0.745	S	S	*	*			trans	18.3	114.3	156.5	48.4	0	0	0	0	118.9
923	S	32.6	Very low	37.8	Very low	117 Å²	117	138.4 Å²	138.4	82%	0.818	78%	0.776	S	S	*	*			trans	-58.5	124.3	158.7	52.7	0	0	0	0	113.4
924	S	33.4	Very low	37.3	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	77%	0.769	S	S	*	*			trans	156	115.5	139.5	69.8	0	0	0	0	105.1
925	L	39.5	Very low	36.9	Very low	160 Å²	160	139.7 Å²	139.7	84%	0.838	78%	0.776	S	S	*	*	S	Bend	cis	-156.6	178.3	47.4	-84.7	109.4	0	0	0	107.8
926	E	36.7	Very low	36.7	Very low	151 Å²	151	143.1 Å²	143.1	71%	0.706	79%	0.788	S	S	*	*			trans	97.3	32	167.4	-51.4	-170.4	150.9	0	0	118.9	G928	E926-G928 VanDerWaalsContact C-N 3.32Å
927	A	35.3	Very low	36.7	Very low	112 Å²	112	143.8 Å²	143.8	93%	0.926	80%	0.796	S	S	*	*	S	Bend	trans	-87.8	1.1	156.8	0	0	0	0	0	113.6
928	G	35.1	Very low	36.4	Very low	60 Å²	60	148.8 Å²	148.8	62%	0.619	80%	0.797	S	S	*	*	S	Bend	trans	-104.1	-13.6	-174.5	0	0	0	0	0	116.4	E926	E926-G928 VanDerWaalsContact C-N 3.32Å
929	L	38.9	Very low	36.2	Very low	121 Å²	121	154.2 Å²	154.2	63%	0.634	80%	0.802	S	S	*	*	S	Bend	trans	-101.5	-4.6	-168.2	-84.5	162.2	0	0	0	115.4
930	Q	41.4	Very low	36.2	Very low	174 Å²	174	153.2 Å²	153.2	81%	0.813	80%	0.801	S	S	*	*	S	Bend	trans	-99.6	0.3	-170.6	-133.9	161.9	0.5	0	0	115
931	R	36.8	Very low	36.1	Very low	224 Å²	224	152.1 Å²	152.1	85%	0.845	82%	0.822	S	S	*	*	S	Bend	trans	-102.8	-19.5	178.9	-128.4	175.8	178.1	143.4	-0.5	114.6
932	D	34.4	Very low	36.3	Very low	135 Å²	135	151.6 Å²	151.6	72%	0.722	82%	0.821	S	S	*	*	S	Bend	trans	-92.3	-15.1	-176.1	-75.2	-16.4	0	0	0	114.6
933	L	38.5	Very low	36.5	Very low	155 Å²	155	152.9 Å²	152.9	81%	0.812	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-4.8	-179.5	-81.9	163	0	0	0	115.2
934	L	38.9	Very low	36.8	Very low	156 Å²	156	154.9 Å²	154.9	82%	0.817	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	2.1	-179.1	-77.6	168.7	0	0	0	114.7
935	M	38.3	Very low	37	Very low	155 Å²	155	157.9 Å²	157.9	76%	0.764	83%	0.829	S	S	*	*	S	Bend	trans	-121.1	2.5	-176.6	-72.5	-66.6	-82.3	0	0	115.7
936	H	38.3	Very low	36.8	Very low	182 Å²	182	157.8 Å²	157.8	84%	0.843	83%	0.828	S	S	*	*			trans	-124.2	72.9	174.5	-76.4	9	0	0	0	112.5
937	S	39	Very low	36.8	Very low	118 Å²	118	158.2 Å²	158.2	83%	0.825	84%	0.836	S	S	*	*			trans	-145	71.7	149.8	175.5	0	0	0	0	109.7
938	R	33.6	Very low	36.9	Very low	235 Å²	235	161.5 Å²	161.5	89%	0.887	83%	0.83	S	S	*	*			trans	-152.7	122.8	154.3	-110.2	-179	-177	-166.4	0.8	110.9
939	R	33.2	Very low	37.1	Very low	252 Å²	252	169.3 Å²	169.3	95%	0.951	85%	0.846	S	S	*	*			trans	79.3	126	170.2	-55.8	179.5	175.2	-172	-1.3	115
940	G	34.4	Very low	36.9	Very low	69 Å²	69	173.3 Å²	173.3	71%	0.711	86%	0.864	S	S	*	*			cis	167.8	150.4	-2.5	0	0	0	0	0	110.3
941	T	36.2	Very low	36.5	Very low	225 Å²	225	173.3 Å²	173.3	100%	1.38	87%	0.869	S	S	*	*			trans	177	0	136.9	38.2	0	0	0	0	107.1

Retrieved 941 of 941 residues in 519.6 ms (Link to these results)

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