A0A077ZCA0_TRITR Loading...

JNK interacting protein

AlphaFold DB , UniProt , Accession A0A077ZCA0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,174 aa.

						>A0A077ZCA0_TRITR|A0A077ZCA0
MANFASGDSGEVIFGTESSSSTEESRVMSEKVQQMASSIYKEFERMIQRFGEDSVKDLMPLVVSMLEALDLSQLEKEEHEVELELLKEDNEQLVTQYEREKAQRKLVEQRCMELEDIFDDEKKELRDKMESLESIVRMLELKGKNSADHVCRLEEREVEMKQEYSKLHDRYTELFRTHMDYMERTKFLMGGDKFDVCSSYVSNQPSKGFVIPRFNRFDPRDFNETAETMDKENGRDTCYDRGLVTEVDFGAVEEMLDTPLPRQNEPDTTPAPSENISEPCEDGLTVDLTGMGREVENLIKENSELLETKNALNVVKNDLIAQLDGLVSEQDILREEIRSLEMIRAKLTERIRELETELKDVKLSQEQNKDEGADVPMAHRKRFTRIEMARVLMERNQYKEKLMELQEAVKWTEMIRASRTDPSLKRKRGSIWDFFSGLFSSGNPSPSSGHSVVQLRYNAPNKQLTPSSGKVAPCSSTKLKAFDFLDGGYSSERRAAERKEQYKLVKAHVKRDESGRLQAYGWSIPALEMPMPSVPVPVFCQPLIEDEPTLKIWCAAAVDLRGGFTEDGGFIIGSSVFYSKEKLQENLLSEPGSMSNELEKLDHELQVKQMELKEQENHEWMQSNLVWICSSAHGRSLVSVIHANKPGEVIDTFTLSSSHVLCICSVRGTELKEYMFTALFDKSIARDGSPLVDGEETVMVGAIRWVNLKLSDDGSVYCAIDGSPEKKVEDSDLPADGTPRVESSEKASEILVSSFSDEDGIAVARKQDVSVSGAQCPGSIDANDEAYRRRLLTHLPEHIKDGLQKFADYMSFATILPTVWMGSQGGHLYIHSAVSEWRKCLVTVQLEDSVLGIVQYRSRVFAALANGTIAIFCRKKNGEWCMSGYYQLTVGQPSCSVRCLVVVGNKLWCGYRNKIFVLNPESLELEHSFDAHPRKESQVRQLACLGDGVWCSIRLDSSLRLFHAKTFAHLQDVDIEPYVSKMLGKHYKISIFNLLLNALRSVGTSKLGFSFVRITSLLLSCKRLWVGTGNGVILSIPLTESCRKASIGAKEADNGHGAPGEAVRIYSDATGSSDQVSPGTFTPYCDMVLAQLSFHGHRDAVKFLVSVPASEASDRASVVEKSTEDRGSTMVVISGGEGYIDFRVGDDDETEIGRSMMRRRDWSHLIVWEVKNGL
					

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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	34.7	Very low	29.7	Very low	250 Å²	250	139.2 Å²	139.2	100%	1.232	85%	0.853	S	S	*	*				0	80.1	0	-76.9	176.9	-174.7	0	0	107.5
2	A	27.4	Very low	29.7	Very low	93 Å²	93	137.3 Å²	137.3	77%	0.769	84%	0.841	S	S	*	*			trans	-71.6	145.4	172.7	0	0	0	0	0	109.8
3	N	28.7	Very low	29.7	Very low	146 Å²	146	138.4 Å²	138.4	78%	0.781	84%	0.836	S	S	*	*			trans	119.8	90.6	170.2	-68.7	-8.4	0	0	0	111.7
4	F	34.8	Very low	29.5	Very low	223 Å²	223	141.8 Å²	141.8	98%	0.978	83%	0.834	S	S	*	*				-151.8	91.8	123.5	-94.2	-71.9	0	0	0	106.9
5	A	29.8	Very low	29.5	Very low	86 Å²	86	136.3 Å²	136.3	71%	0.711	82%	0.82	S	S	*	*			trans	-88.8	157.3	166.7	0	0	0	0	0	109.3
6	S	27.5	Very low	29.5	Very low	127 Å²	127	136.6 Å²	136.6	89%	0.888	82%	0.822	S	S	*	*			trans	65.6	103.1	161.8	65.8	0	0	0	0	118.1
7	G	31.3	Very low	29.6	Very low	75 Å²	75	138.9 Å²	138.9	77%	0.773	82%	0.822	S	S	*	*			trans	-153.1	73.9	157.9	0	0	0	0	0	107.7	S9	G7-S9 PolarHBondContact O-N 3.41Å
8	D	26.8	Very low	29.6	Very low	171 Å²	171	138.3 Å²	138.3	91%	0.914	83%	0.826	S	S	*	*			trans	-71	102.7	172.4	-168.8	20.3	0	0	0	107.7
9	S	30.7	Very low	29.7	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	82%	0.816	S	S	*	*			trans	-121.4	102	170.5	56.5	0	0	0	0	107.7	G7 E11	G7-S9 PolarHBondContact O-N 3.41Å; S9-E11 PolarHBondContact O-N 3.06Å
10	G	26.8	Very low	29.8	Very low	72 Å²	72	134.9 Å²	134.9	74%	0.742	82%	0.816	S	S	*	*			trans	-52.4	118.1	178	0	0	0	0	0	111.5
11	E	28.1	Very low	29.9	Very low	182 Å²	182	133.6 Å²	133.6	85%	0.85	81%	0.814	S	S	*	*			trans	-83.7	115	174.9	-152.9	170.5	-158	0	0	107.7	S9 I13	S9-E11 PolarHBondContact O-N 3.06Å; E11-I13 PolarHBondContact O-N 3.48Å
12	V	29.4	Very low	29.9	Very low	117 Å²	117	128 Å²	128	71%	0.709	79%	0.793	S	S	*	*			trans	-86	106.4	179.7	178.6	0	0	0	0	108.1	F14	V12-F14 HydrophobicContact CG1-CD2 4.36Å; V12-F14 HydrophobicContact CG1-CE2 4.17Å; V12-F14 PolarHBondContact O-N 2.87Å
13	I	30.8	Very low	30.4	Very low	151 Å²	151	133.2 Å²	133.2	77%	0.774	80%	0.802	S	S	*	*			trans	-75.6	114.2	176	-60.8	173.4	0	0	0	108.8	E11 G15	E11-I13 PolarHBondContact O-N 3.48Å; I13-G15 PolarHBondContact O-N 3.08Å
14	F	26.5	Very low	30.7	Very low	186 Å²	186	134.7 Å²	134.7	82%	0.816	80%	0.804	S	S	*	*			trans	-84.1	105.6	165.6	-87	-93.8	0	0	0	108.7	V12	V12-F14 HydrophobicContact CG1-CD2 4.36Å; V12-F14 HydrophobicContact CG1-CE2 4.17Å; V12-F14 PolarHBondContact O-N 2.87Å
15	G	29.4	Very low	31.1	Very low	60 Å²	60	129.1 Å²	129.1	62%	0.619	79%	0.793	S	S	*	*			trans	-136	128	177.7	0	0	0	0	0	110.5	I13 E17	I13-G15 PolarHBondContact O-N 3.08Å; G15-E17 PolarHBondContact O-N 3.39Å
16	T	28.7	Very low	32.7	Very low	140 Å²	140	132.2 Å²	132.2	86%	0.859	79%	0.786	S	S	*	*			trans	-60.6	112.2	-176.6	43.7	0	0	0	0	114
17	E	31.5	Very low	34.6	Very low	176 Å²	176	131.9 Å²	131.9	82%	0.822	78%	0.779	S	S	*	*			trans	-117.2	97.2	156.3	-72.6	-169.7	176.5	0	0	109.5	G15 S19	G15-E17 PolarHBondContact O-N 3.39Å; E17-S19 VanDerWaalsContact C-N 3.28Å; E17-S19 PolarHBondContact O-N 3.28Å
18	S	30.2	Very low	36.8	Very low	128 Å²	128	131.8 Å²	131.8	90%	0.895	76%	0.759	S	S	*	*			trans	-87.7	72	165.4	47	0	0	0	0	108.8
19	S	31.1	Very low	39.6	Very low	90 Å²	90	124.6 Å²	124.6	63%	0.629	72%	0.722	S	S	*	*			trans	-147.2	111.3	165.4	48.2	0	0	0	0	110.2	E17 S21	E17-S19 VanDerWaalsContact C-N 3.28Å; E17-S19 PolarHBondContact O-N 3.28Å; S19-S21 PolarHBondContact O-N 2.96Å
20	S	31.3	Very low	42.2	Very low	118 Å²	118	126.2 Å²	126.2	83%	0.825	72%	0.718	S	S	*	*			trans	-35.8	114.6	169.8	53.6	0	0	0	0	114.2
21	S	32.9	Very low	45	Very low	109 Å²	109	129 Å²	129	76%	0.762	71%	0.71	S	S	*	*				159	82.4	129	61.1	0	0	0	0	112.2	S19	S19-S21 PolarHBondContact O-N 2.96Å
22	T	33.8	Very low	48	Very low	131 Å²	131	120.3 Å²	120.3	80%	0.804	67%	0.669	S	S	*	*			trans	-168.7	79.8	154.1	25.8	0	0	0	0	109.3	E24	T22-E24 PolarHBondContact O-N 3.16Å
23	E	37.4	Very low	50.9	Low	204 Å²	204	120 Å²	120	95%	0.953	66%	0.66	S	S	*	*			trans	-75.9	53.7	164.5	-77.3	-161.8	153.7	0	0	111
24	E	36.1	Very low	53.7	Low	176 Å²	176	118.1 Å²	118.1	82%	0.822	65%	0.648	S	S	*	*	S	Bend	trans	-116.5	104.4	171.8	-72.5	-169.2	168.6	0	0	109.8	T22	T22-E24 PolarHBondContact O-N 3.16Å
25	S	43.3	Very low	56.8	Low	107 Å²	107	113 Å²	113	75%	0.748	63%	0.628	S	S	*	*			trans	71.4	63.4	164	-167.6	0	0	0	0	117.6	V27	S25-V27 PolarHBondContact O-N 3.31Å
26	R	62.1	Low	59.7	Low	150 Å²	150	110.6 Å²	110.6	57%	0.566	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-63.2	117.7	158.1	178.1	176.8	163.8	-177.9	-6.5	109.9	D70	R26-D70 IonicContact CZ-OD2 3.12Å; R26-D70 IonicContact NE-OD2 3.12Å; R26-D70 PolarHBondContact NE-OD2 3.3Å; R26-D70 IonicContact NH2-OD2 3.91Å; R26-D70 PolarHBondContact NH2-OD2 3.22Å
27	V	68.2	Low	62.7	Low	120 Å²	120	106.6 Å²	106.6	73%	0.727	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-82.2	117.8	176.2	-176.1	0	0	0	0	108.8	S25	S25-V27 PolarHBondContact O-N 3.31Å
28	M	78	Confident	65.7	Low	74 Å²	74	101.7 Å²	101.7	37%	0.365	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-63.3	146.4	176.1	-171.3	-174.5	-57.7	0	0	110.8	E30 V32 Q33 A36 D70	M28-E30 PolarHBondContact O-N 2.9Å; M28-V32 HydrophobicContact CG-CB 3.85Å; M28-V32 HydrophobicContact CG-CG1 3.91Å; M28-V32 HydrophobicContact SD-CB 4.02Å; M28-V32 HydrophobicContact SD-CG1 3.62Å; M28-Q33 HydrophobicContact SD-CB 4.35Å; M28-A36 HydrophobicContact SD-CB 4.49Å; M28-D70 WeakPolarHBondContact CA-OD1 3.34Å; M28-D70 HydrophobicContact CG-CB 4.32Å; M28-D70 VanDerWaalsContact CG-OD1 3.26Å; M28-D70 WeakPolarHBondContact CG-OD1 3.21Å
29	S	84.4	Confident	68.7	Low	20 Å²	20	98.1 Å²	98.1	14%	0.14	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-50.4	135.5	174.2	174.3	0	0	0	0	110.8	K31 V32 Q33 D70	S29-K31 PolarHBondContact O-N 3.03Å; S29-K31 VanDerWaalsContact O-N 3.09Å; S29-V32 PolarHBondContact O-N 2.97Å; S29-Q33 WeakPolarHBondContact O-CB 3.31Å; S29-Q33 PolarHBondContact O-N 2.84Å; S29-D70 WeakPolarHBondContact CB-OD1 3.46Å; S29-D70 PolarHBondContact N-OD1 2.92Å
30	E	85.4	Confident	71.5	Confident	140 Å²	140	98.5 Å²	98.5	65%	0.654	52%	0.523	S	S	*	.	H	α-helix	trans	-53.9	-36.9	-177.3	-167.3	-171.8	169.8	0	0	111.8	M28 Q33 Q34	M28-E30 PolarHBondContact O-N 2.9Å; E30-Q33 PolarHBondContact O-N 2.97Å; E30-Q34 WeakPolarHBondContact O-CB 3.47Å; E30-Q34 VanDerWaalsContact O-CG 3.27Å; E30-Q34 WeakPolarHBondContact O-CG 3.25Å; E30-Q34 PolarHBondContact O-N 3.24Å; E30-Q34 PolarHBondContact OE1-NE2 3.12Å
31	K	86.5	Confident	74.4	Confident	129 Å²	129	98.5 Å²	98.5	56%	0.561	51%	0.508	S	S	*	.	H	α-helix	trans	-65.3	-45.7	176.4	-71.3	176.2	-174.8	158.1	0	111.8	S29 Q33 Q34 M35	S29-K31 PolarHBondContact O-N 3.03Å; S29-K31 VanDerWaalsContact O-N 3.09Å; K31-Q33 VanDerWaalsContact C-N 3.34Å; K31-Q34 PolarHBondContact O-N 3.4Å; K31-M35 WeakPolarHBondContact O-CE 3.38Å; K31-M35 WeakPolarHBondContact O-CG 3.5Å; K31-M35 PolarHBondContact O-N 3.06Å
32	V	91.3	Very high	77.3	Confident	0 Å²	0	97.5 Å²	97.5	0%	0	49%	0.492	C	S	.	.	H	α-helix	trans	-69.3	-37.2	-179.7	-173.9	0	0	0	0	110.3	M28 S29 Q34 M35 A36 L66 L69 D70 Q73	M28-V32 HydrophobicContact CG-CB 3.85Å; M28-V32 HydrophobicContact CG-CG1 3.91Å; M28-V32 HydrophobicContact SD-CB 4.02Å; M28-V32 HydrophobicContact SD-CG1 3.62Å; S29-V32 PolarHBondContact O-N 2.97Å; V32-Q34 PolarHBondContact O-N 2.87Å; V32-M35 HydrophobicContact CB-CE 4.42Å; V32-M35 HydrophobicContact CG2-CE 4.08Å; V32-M35 PolarHBondContact O-N 3.35Å; V32-A36 WeakPolarHBondContact O-CB 3.41Å; V32-A36 PolarHBondContact O-N 3.37Å; V32-L66 HydrophobicContact CG1-CB 4.26Å; V32-L66 HydrophobicContact CG1-CD2 3.88Å; V32-L66 WeakPolarHBondContact CG1-O 3.27Å; V32-L69 HydrophobicContact CG2-CD2 4.29Å; V32-L69 HydrophobicContact CG2-CG 3.98Å; V32-D70 HydrophobicContact CG1-CB 4.24Å; V32-D70 HydrophobicContact CG2-CB 4.41Å; V32-Q73 HydrophobicContact CG2-CG 4.1Å
33	Q	89.6	Confident	80	Confident	110 Å²	110	92.1 Å²	92.1	51%	0.514	46%	0.457	S	S	.	.	H	α-helix	trans	-62.4	-42.7	173.8	-167.6	-180	13	0	0	112.4	M28 S29 E30 K31 A36 S37	M28-Q33 HydrophobicContact SD-CB 4.35Å; S29-Q33 WeakPolarHBondContact O-CB 3.31Å; S29-Q33 PolarHBondContact O-N 2.84Å; E30-Q33 PolarHBondContact O-N 2.97Å; K31-Q33 VanDerWaalsContact C-N 3.34Å; Q33-A36 PolarHBondContact O-N 3.21Å; Q33-S37 WeakPolarHBondContact O-CB 3.34Å; Q33-S37 PolarHBondContact O-N 2.94Å
34	Q	90.3	Very high	82.6	Confident	112 Å²	112	88.1 Å²	88.1	52%	0.523	44%	0.438	S	S	.	.	H	α-helix	trans	-65.2	-39.8	174.7	-73.5	176.3	20.8	0	0	112.3	E30 K31 V32 S38	E30-Q34 WeakPolarHBondContact O-CB 3.47Å; E30-Q34 VanDerWaalsContact O-CG 3.27Å; E30-Q34 WeakPolarHBondContact O-CG 3.25Å; E30-Q34 PolarHBondContact O-N 3.24Å; E30-Q34 PolarHBondContact OE1-NE2 3.12Å; K31-Q34 PolarHBondContact O-N 3.4Å; V32-Q34 PolarHBondContact O-N 2.87Å; Q34-S38 PolarHBondContact O-N 3.18Å; Q34-S38 VanDerWaalsContact O-N 3.09Å; Q34-S38 PolarHBondContact O-OG 3.5Å
35	M	90.9	Very high	85.2	Confident	80 Å²	80	85.4 Å²	85.4	39%	0.394	42%	0.421	S	S	.	.	H	α-helix	trans	-64.2	-47	174.3	-75.9	-174.5	-71.5	0	0	111.3	K31 V32 S37 S38 I39 L66 L69	K31-M35 WeakPolarHBondContact O-CE 3.38Å; K31-M35 WeakPolarHBondContact O-CG 3.5Å; K31-M35 PolarHBondContact O-N 3.06Å; V32-M35 HydrophobicContact CB-CE 4.42Å; V32-M35 HydrophobicContact CG2-CE 4.08Å; V32-M35 PolarHBondContact O-N 3.35Å; M35-S37 PolarHBondContact O-N 2.88Å; M35-S38 PolarHBondContact O-N 3.39Å; M35-S38 VanDerWaalsContact O-N 3.17Å; M35-I39 WeakPolarHBondContact O-CB 3.46Å; M35-I39 VanDerWaalsContact O-CG1 3.26Å; M35-I39 WeakPolarHBondContact O-CG1 3.3Å; M35-I39 PolarHBondContact O-N 2.94Å; M35-L66 HydrophobicContact CB-CD2 4.32Å; M35-L69 HydrophobicContact CE-CD2 3.31Å; M35-L69 HydrophobicContact CE-CG 4.29Å; M35-L69 HydrophobicContact SD-CD2 4.06Å
36	A	91.4	Very high	87.4	Confident	8 Å²	8	83.2 Å²	83.2	7%	0.066	40%	0.399	C	S	.	.	H	α-helix	trans	-56.1	-50.1	175.7	0	0	0	0	0	110.9	M28 V32 Q33 S38 I39 Y40 L66	M28-A36 HydrophobicContact SD-CB 4.49Å; V32-A36 WeakPolarHBondContact O-CB 3.41Å; V32-A36 PolarHBondContact O-N 3.37Å; Q33-A36 PolarHBondContact O-N 3.21Å; A36-S38 VanDerWaalsContact C-N 3.28Å; A36-S38 PolarHBondContact O-N 3.28Å; A36-I39 PolarHBondContact O-N 3.45Å; A36-Y40 HydrophobicContact CB-CD2 4.34Å; A36-Y40 HydrophobicContact CB-CE2 4.18Å; A36-Y40 WeakPolarHBondContact O-CD2 3.26Å; A36-Y40 PolarHBondContact O-N 3.11Å; A36-L66 HydrophobicContact CB-CD1 3.77Å; A36-L66 HydrophobicContact CB-CD2 4.37Å
37	S	91.7	Very high	88.7	Confident	56 Å²	56	79.2 Å²	79.2	39%	0.392	39%	0.388	S	S	.	.	H	α-helix	trans	-56.2	-40.8	177.3	-173.2	0	0	0	0	112.8	Q33 M35 K41	Q33-S37 WeakPolarHBondContact O-CB 3.34Å; Q33-S37 PolarHBondContact O-N 2.94Å; M35-S37 PolarHBondContact O-N 2.88Å; S37-K41 WeakPolarHBondContact O-CG 3.47Å; S37-K41 PolarHBondContact O-N 3.39Å; S37-K41 VanDerWaalsContact O-N 3.17Å
38	S	93.6	Very high	89.7	Confident	73 Å²	73	81 Å²	81	51%	0.51	39%	0.389	S	S	.	.	H	α-helix	trans	-70.1	-40.9	179.6	-58.9	0	0	0	0	112.3	Q34 M35 A36 K41 E42	Q34-S38 PolarHBondContact O-N 3.18Å; Q34-S38 VanDerWaalsContact O-N 3.09Å; Q34-S38 PolarHBondContact O-OG 3.5Å; M35-S38 PolarHBondContact O-N 3.39Å; M35-S38 VanDerWaalsContact O-N 3.17Å; A36-S38 VanDerWaalsContact C-N 3.28Å; A36-S38 PolarHBondContact O-N 3.28Å; S38-K41 PolarHBondContact O-N 3.17Å; S38-E42 PolarHBondContact O-N 2.88Å
39	I	92.6	Very high	90.3	Very high	54 Å²	54	87.2 Å²	87.2	28%	0.277	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-47.2	175.8	-72.7	168	0	0	0	110.5	M35 A36 K41 E42 F43 V62 L66	M35-I39 WeakPolarHBondContact O-CB 3.46Å; M35-I39 VanDerWaalsContact O-CG1 3.26Å; M35-I39 WeakPolarHBondContact O-CG1 3.3Å; M35-I39 PolarHBondContact O-N 2.94Å; A36-I39 PolarHBondContact O-N 3.45Å; I39-K41 VanDerWaalsContact C-N 3.33Å; I39-K41 PolarHBondContact O-N 3.46Å; I39-E42 WeakPolarHBondContact O-CB 3.3Å; I39-E42 PolarHBondContact O-N 3.49Å; I39-F43 HydrophobicContact CG2-CD2 3.9Å; I39-F43 HydrophobicContact CG2-CE2 3.51Å; I39-F43 HydrophobicContact CG2-CZ 4.03Å; I39-F43 PolarHBondContact O-N 3.23Å; I39-V62 HydrophobicContact CD1-CG1 4.12Å; I39-V62 HydrophobicContact CG2-CG1 3.53Å; I39-L66 HydrophobicContact CD1-CD1 4.29Å; I39-L66 HydrophobicContact CD1-CD2 4.08Å; I39-L66 HydrophobicContact CD1-CG 4.46Å
40	Y	90.9	Very high	90.6	Very high	98 Å²	98	93.8 Å²	93.8	38%	0.384	44%	0.435	S	S	.	.	H	α-helix	trans	-60.2	-41.4	178.4	-78	-63.5	0	0	0	112.1	A36 E42 F43 E44 M59	A36-Y40 HydrophobicContact CB-CD2 4.34Å; A36-Y40 HydrophobicContact CB-CE2 4.18Å; A36-Y40 WeakPolarHBondContact O-CD2 3.26Å; A36-Y40 PolarHBondContact O-N 3.11Å; Y40-E42 VanDerWaalsContact C-N 3.25Å; Y40-E42 PolarHBondContact O-N 2.88Å; Y40-F43 PolarHBondContact O-N 3.38Å; Y40-E44 WeakPolarHBondContact O-CG 3.45Å; Y40-E44 PolarHBondContact O-N 2.93Å; Y40-M59 HydrophobicContact CD1-CE 4.22Å; Y40-M59 HydrophobicContact CE1-CE 3.72Å
41	K	92.7	Very high	90.7	Very high	118 Å²	118	88.8 Å²	88.8	51%	0.513	42%	0.421	S	S	.	.	H	α-helix	trans	-62.6	-29.3	174.3	-73.9	173	-175.6	172.4	0	113.6	S37 S38 I39 R45	S37-K41 WeakPolarHBondContact O-CG 3.47Å; S37-K41 PolarHBondContact O-N 3.39Å; S37-K41 VanDerWaalsContact O-N 3.17Å; S38-K41 PolarHBondContact O-N 3.17Å; I39-K41 VanDerWaalsContact C-N 3.33Å; I39-K41 PolarHBondContact O-N 3.46Å; K41-R45 PolarHBondContact O-N 2.88Å; K41-R45 PolarHBondContact O-NE 3.31Å
42	E	92.5	Very high	90.7	Very high	88 Å²	88	89.5 Å²	89.5	41%	0.411	43%	0.426	S	S	.	.	H	α-helix	trans	-77.3	-40.6	174.7	-163.7	65	-128.1	0	0	111.1	S38 I39 Y40 E44 R45 M46	S38-E42 PolarHBondContact O-N 2.88Å; I39-E42 WeakPolarHBondContact O-CB 3.3Å; I39-E42 PolarHBondContact O-N 3.49Å; Y40-E42 VanDerWaalsContact C-N 3.25Å; Y40-E42 PolarHBondContact O-N 2.88Å; E42-E44 PolarHBondContact O-N 3.46Å; E42-R45 PolarHBondContact O-N 3.06Å; E42-R45 IonicContact OE1-CZ 3Å; E42-R45 IonicContact OE1-NH1 2.68Å; E42-R45 PolarHBondContact OE1-NH1 3.04Å; E42-R45 IonicContact OE2-CZ 2.69Å; E42-R45 IonicContact OE2-NH1 3.84Å; E42-R45 PolarHBondContact OE2-NH1 2.69Å; E42-R45 IonicContact OE2-NH2 2.88Å; E42-R45 PolarHBondContact OE2-NH2 2.93Å; E42-M46 PolarHBondContact O-N 2.68Å
43	F	92.3	Very high	90.5	Very high	17 Å²	17	96 Å²	96	8%	0.075	46%	0.461	C	S	.	.	H	α-helix	trans	-61.7	-41.6	172.9	-72	-29.4	0	0	0	112.4	I39 Y40 R45 M46 I47 V55 L58 V62	I39-F43 HydrophobicContact CG2-CD2 3.9Å; I39-F43 HydrophobicContact CG2-CE2 3.51Å; I39-F43 HydrophobicContact CG2-CZ 4.03Å; I39-F43 PolarHBondContact O-N 3.23Å; Y40-F43 PolarHBondContact O-N 3.38Å; F43-R45 VanDerWaalsContact C-N 3.3Å; F43-R45 PolarHBondContact O-N 3.34Å; F43-M46 PolarHBondContact O-N 3.34Å; F43-M46 VanDerWaalsContact O-N 3.12Å; F43-I47 WeakPolarHBondContact O-CB 3.46Å; F43-I47 WeakPolarHBondContact O-CG1 3.01Å; F43-I47 PolarHBondContact O-N 2.8Å; F43-V55 HydrophobicContact CB-CG1 4.09Å; F43-V55 HydrophobicContact CD1-CG1 3.49Å; F43-V55 VanDerWaalsContact CD1-CG1 3.49Å; F43-V55 HydrophobicContact CD1-CG2 4.14Å; F43-V55 HydrophobicContact CD2-CG1 4.02Å; F43-V55 HydrophobicContact CE1-CG1 3.84Å; F43-V55 HydrophobicContact CE2-CG1 4.31Å; F43-V55 HydrophobicContact CG-CG1 3.61Å; F43-V55 HydrophobicContact CZ-CG1 4.23Å; F43-L58 HydrophobicContact CE1-CD2 3.65Å; F43-L58 HydrophobicContact CE1-CG 4.1Å; F43-L58 HydrophobicContact CZ-CD2 4.05Å; F43-L58 HydrophobicContact CZ-CG 4Å; F43-V62 HydrophobicContact CE2-CB 4.2Å; F43-V62 HydrophobicContact CE2-CG1 4.04Å; F43-V62 HydrophobicContact CE2-CG2 4.27Å; F43-V62 HydrophobicContact CZ-CB 4.21Å; F43-V62 HydrophobicContact CZ-CG1 4.26Å; F43-V62 HydrophobicContact CZ-CG2 3.76Å
44	E	90.1	Very high	90.3	Very high	120 Å²	120	93.3 Å²	93.3	56%	0.561	45%	0.454	S	S	*	.	H	α-helix	trans	-56.7	-44.2	172.5	-76.7	178.4	-177.5	0	0	111.8	Y40 E42 Q48	Y40-E44 WeakPolarHBondContact O-CG 3.45Å; Y40-E44 PolarHBondContact O-N 2.93Å; E42-E44 PolarHBondContact O-N 3.46Å; E44-Q48 WeakPolarHBondContact O-CB 3.33Å; E44-Q48 VanDerWaalsContact O-CG 3.25Å; E44-Q48 WeakPolarHBondContact O-CG 3.33Å; E44-Q48 PolarHBondContact O-N 2.93Å; E44-Q48 VanDerWaalsContact O-N 3.08Å
45	R	90.8	Very high	90.3	Very high	120 Å²	120	88.1 Å²	88.1	45%	0.453	43%	0.43	S	S	.	.	H	α-helix	trans	-66.3	-34.9	175.9	-83	-175.2	-83.3	129.2	-3.5	112.9	K41 E42 F43 R49	K41-R45 PolarHBondContact O-N 2.88Å; K41-R45 PolarHBondContact O-NE 3.31Å; E42-R45 PolarHBondContact O-N 3.06Å; E42-R45 IonicContact OE1-CZ 3Å; E42-R45 IonicContact OE1-NH1 2.68Å; E42-R45 PolarHBondContact OE1-NH1 3.04Å; E42-R45 IonicContact OE2-CZ 2.69Å; E42-R45 IonicContact OE2-NH1 3.84Å; E42-R45 PolarHBondContact OE2-NH1 2.69Å; E42-R45 IonicContact OE2-NH2 2.88Å; E42-R45 PolarHBondContact OE2-NH2 2.93Å; F43-R45 VanDerWaalsContact C-N 3.3Å; F43-R45 PolarHBondContact O-N 3.34Å; R45-R49 PolarHBondContact O-N 3.09Å
46	M	90.7	Very high	90.2	Very high	61 Å²	61	90.8 Å²	90.8	30%	0.3	44%	0.439	S	S	.	.	H	α-helix	trans	-70	-46.3	177.6	-169.9	177.1	-67.6	0	0	111.4	E42 F43 Q48 R49 F50 V55	E42-M46 PolarHBondContact O-N 2.68Å; F43-M46 PolarHBondContact O-N 3.34Å; F43-M46 VanDerWaalsContact O-N 3.12Å; M46-Q48 VanDerWaalsContact C-N 3.3Å; M46-Q48 PolarHBondContact O-N 3.28Å; M46-R49 PolarHBondContact O-N 3.17Å; M46-F50 HydrophobicContact CG-CD2 4Å; M46-F50 PolarHBondContact O-N 2.93Å; M46-V55 HydrophobicContact CB-CG2 4.16Å; M46-V55 HydrophobicContact CG-CG2 4.01Å; M46-V55 HydrophobicContact SD-CG2 3.72Å
47	I	89.1	Confident	90.1	Very high	65 Å²	65	96.8 Å²	96.8	33%	0.333	47%	0.47	S	S	.	.	H	α-helix	trans	-59	-43.3	176.7	-66.7	165.1	0	0	0	110.2	F43 R49 G51 V55	F43-I47 WeakPolarHBondContact O-CB 3.46Å; F43-I47 WeakPolarHBondContact O-CG1 3.01Å; F43-I47 PolarHBondContact O-N 2.8Å; I47-R49 VanDerWaalsContact C-N 3.25Å; I47-R49 PolarHBondContact O-N 3.44Å; I47-G51 WeakPolarHBondContact O-CA 3.45Å; I47-G51 PolarHBondContact O-N 3.2Å; I47-V55 HydrophobicContact CD1-CG2 4.48Å; I47-V55 HydrophobicContact CG1-CB 4.33Å; I47-V55 HydrophobicContact CG1-CG2 3.8Å
48	Q	89.3	Confident	89.9	Confident	157 Å²	157	97.6 Å²	97.6	73%	0.734	47%	0.47	S	S	*	.	H	α-helix	trans	-61.8	-29.1	176.7	-75.2	173.8	18.1	0	0	113.8	E44 M46	E44-Q48 WeakPolarHBondContact O-CB 3.33Å; E44-Q48 VanDerWaalsContact O-CG 3.25Å; E44-Q48 WeakPolarHBondContact O-CG 3.33Å; E44-Q48 PolarHBondContact O-N 2.93Å; E44-Q48 VanDerWaalsContact O-N 3.08Å; M46-Q48 VanDerWaalsContact C-N 3.3Å; M46-Q48 PolarHBondContact O-N 3.28Å
49	R	90	Very high	89.8	Confident	206 Å²	206	97.9 Å²	97.9	78%	0.777	46%	0.464	S	S	*	.	H	α-helix	trans	-95.6	-35.1	-177.1	-76	-175.9	178.2	-171.9	1.1	114.2	R45 M46 I47	R45-R49 PolarHBondContact O-N 3.09Å; M46-R49 PolarHBondContact O-N 3.17Å; I47-R49 VanDerWaalsContact C-N 3.25Å; I47-R49 PolarHBondContact O-N 3.44Å
50	F	90.5	Very high	89.7	Confident	158 Å²	158	99.1 Å²	99.1	69%	0.693	48%	0.476	S	S	*	.	H	α-helix	trans	-123.4	-6.1	-168.7	-59.1	-76.1	0	0	0	114.1	M46	M46-F50 HydrophobicContact CG-CD2 4Å; M46-F50 PolarHBondContact O-N 2.93Å
51	G	87.3	Confident	89.8	Confident	35 Å²	35	99.3 Å²	99.3	36%	0.361	48%	0.483	S	S	.	.			trans	90	166.7	-174.8	0	0	0	0	0	113.3	I47 D53 S54	I47-G51 WeakPolarHBondContact O-CA 3.45Å; I47-G51 PolarHBondContact O-N 3.2Å; G51-D53 PolarHBondContact O-N 3.44Å; G51-S54 PolarHBondContact O-OG 3.29Å
52	E	87.8	Confident	89.8	Confident	144 Å²	144	94.7 Å²	94.7	67%	0.673	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-67	-34.1	-175.4	-171.8	178.9	166.5	0	0	113.2	S54 V55 K56	E52-S54 PolarHBondContact O-N 2.97Å; E52-V55 PolarHBondContact O-N 3.42Å; E52-K56 PolarHBondContact O-N 2.94Å
53	D	86.8	Confident	89.7	Confident	137 Å²	137	92.7 Å²	92.7	73%	0.733	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-59.4	-23	-178.5	-71.4	-32.6	0	0	0	113.1	G51 V55	G51-D53 PolarHBondContact O-N 3.44Å; D53-V55 VanDerWaalsContact C-N 3.28Å; D53-V55 PolarHBondContact O-N 2.98Å
54	S	86.1	Confident	89.7	Confident	53 Å²	53	95.2 Å²	95.2	37%	0.371	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-72.5	-19.2	178.2	66.3	0	0	0	0	114	G51 E52	G51-S54 PolarHBondContact O-OG 3.29Å; E52-S54 PolarHBondContact O-N 2.97Å
55	V	89.5	Confident	89.8	Confident	3 Å²	3	95.6 Å²	95.6	2%	0.018	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-19.6	-176.1	-172.6	0	0	0	0	112.5	F43 M46 I47 E52 D53 D57 L58 M59	F43-V55 HydrophobicContact CB-CG1 4.09Å; F43-V55 HydrophobicContact CD1-CG1 3.49Å; F43-V55 VanDerWaalsContact CD1-CG1 3.49Å; F43-V55 HydrophobicContact CD1-CG2 4.14Å; F43-V55 HydrophobicContact CD2-CG1 4.02Å; F43-V55 HydrophobicContact CE1-CG1 3.84Å; F43-V55 HydrophobicContact CE2-CG1 4.31Å; F43-V55 HydrophobicContact CG-CG1 3.61Å; F43-V55 HydrophobicContact CZ-CG1 4.23Å; M46-V55 HydrophobicContact CB-CG2 4.16Å; M46-V55 HydrophobicContact CG-CG2 4.01Å; M46-V55 HydrophobicContact SD-CG2 3.72Å; I47-V55 HydrophobicContact CD1-CG2 4.48Å; I47-V55 HydrophobicContact CG1-CB 4.33Å; I47-V55 HydrophobicContact CG1-CG2 3.8Å; E52-V55 PolarHBondContact O-N 3.42Å; D53-V55 VanDerWaalsContact C-N 3.28Å; D53-V55 PolarHBondContact O-N 2.98Å; V55-D57 VanDerWaalsContact C-N 3.32Å; V55-D57 PolarHBondContact O-N 2.99Å; V55-D57 VanDerWaalsContact O-N 3.16Å; V55-L58 PolarHBondContact O-N 2.87Å; V55-M59 HydrophobicContact CG1-CB 4.27Å; V55-M59 PolarHBondContact O-N 3.33Å
56	K	87.9	Confident	89.9	Confident	136 Å²	136	90.5 Å²	90.5	59%	0.591	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-45.7	-173	-172.3	-178.8	179.5	178.4	0	114.7	E52 P60	E52-K56 PolarHBondContact O-N 2.94Å; K56-P60 VanDerWaalsContact O-CD 3.31Å; K56-P60 WeakPolarHBondContact O-CD 3.4Å
57	D	89	Confident	89.8	Confident	133 Å²	133	93.1 Å²	93.1	71%	0.711	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-18.8	-179.5	-62.4	-29.6	0	0	0	112.9	V55	V55-D57 VanDerWaalsContact C-N 3.32Å; V55-D57 PolarHBondContact O-N 2.99Å; V55-D57 VanDerWaalsContact O-N 3.16Å
58	L	89.3	Confident	89.9	Confident	74 Å²	74	92.7 Å²	92.7	39%	0.387	48%	0.48	S	S	.	.	H	α-helix	trans	-86	-33.7	-178.6	-177.9	58.6	0	0	0	112.2	F43 V55 L61 V62	F43-L58 HydrophobicContact CE1-CD2 3.65Å; F43-L58 HydrophobicContact CE1-CG 4.1Å; F43-L58 HydrophobicContact CZ-CD2 4.05Å; F43-L58 HydrophobicContact CZ-CG 4Å; V55-L58 PolarHBondContact O-N 2.87Å; L58-L61 PolarHBondContact O-N 3.4Å; L58-V62 HydrophobicContact CD1-CG2 4.01Å; L58-V62 HydrophobicContact CG-CG2 4.1Å; L58-V62 WeakPolarHBondContact O-CG2 3.36Å; L58-V62 PolarHBondContact O-N 3.41Å; L58-V62 VanDerWaalsContact O-N 3.11Å
59	M	91.2	Very high	90.1	Very high	78 Å²	78	88.1 Å²	88.1	38%	0.384	46%	0.461	S	S	.	.	H	α-helix	trans	-57.6	-47.6	-176.2	-164.1	173.3	-147.8	0	0	113.4	Y40 V55 L61 V62 V63	Y40-M59 HydrophobicContact CD1-CE 4.22Å; Y40-M59 HydrophobicContact CE1-CE 3.72Å; V55-M59 HydrophobicContact CG1-CB 4.27Å; V55-M59 PolarHBondContact O-N 3.33Å; M59-L61 VanDerWaalsContact C-N 3.33Å; M59-L61 PolarHBondContact O-N 2.73Å; M59-V62 PolarHBondContact O-N 3.49Å; M59-V63 WeakPolarHBondContact O-CG2 3.43Å; M59-V63 PolarHBondContact O-N 2.83Å
60	P	90.7	Very high	90.2	Very high	81 Å²	81	78.8 Å²	78.8	53%	0.526	43%	0.426	S	S	.	.	H	α-helix	trans	-64.7	-36.2	179.7	-20.6	34.2	0	0	0	112.9	K56 V62 V63 S64	K56-P60 VanDerWaalsContact O-CD 3.31Å; K56-P60 WeakPolarHBondContact O-CD 3.4Å; P60-V62 VanDerWaalsContact C-N 3.32Å; P60-V62 PolarHBondContact O-N 2.92Å; P60-V63 PolarHBondContact O-N 2.96Å; P60-S64 WeakPolarHBondContact O-CB 3.49Å; P60-S64 PolarHBondContact O-N 3.5Å
61	L	92.1	Very high	90.2	Very high	101 Å²	101	75.2 Å²	75.2	53%	0.529	41%	0.414	S	S	.	.	H	α-helix	trans	-63.7	-41.4	177	-66.3	173.3	0	0	0	111.1	L58 M59 S64 M65	L58-L61 PolarHBondContact O-N 3.4Å; M59-L61 VanDerWaalsContact C-N 3.33Å; M59-L61 PolarHBondContact O-N 2.73Å; L61-S64 PolarHBondContact O-N 3.27Å; L61-M65 VanDerWaalsContact O-CG 3.3Å; L61-M65 WeakPolarHBondContact O-CG 3.22Å; L61-M65 PolarHBondContact O-N 3.02Å
62	V	92.3	Very high	90.4	Very high	22 Å²	22	76.3 Å²	76.3	13%	0.133	42%	0.416	C	S	.	.	H	α-helix	trans	-71.8	-38.6	180	173	0	0	0	0	111.7	I39 F43 L58 M59 P60 M65 L66	I39-V62 HydrophobicContact CD1-CG1 4.12Å; I39-V62 HydrophobicContact CG2-CG1 3.53Å; F43-V62 HydrophobicContact CE2-CB 4.2Å; F43-V62 HydrophobicContact CE2-CG1 4.04Å; F43-V62 HydrophobicContact CE2-CG2 4.27Å; F43-V62 HydrophobicContact CZ-CB 4.21Å; F43-V62 HydrophobicContact CZ-CG1 4.26Å; F43-V62 HydrophobicContact CZ-CG2 3.76Å; L58-V62 HydrophobicContact CD1-CG2 4.01Å; L58-V62 HydrophobicContact CG-CG2 4.1Å; L58-V62 WeakPolarHBondContact O-CG2 3.36Å; L58-V62 PolarHBondContact O-N 3.41Å; L58-V62 VanDerWaalsContact O-N 3.11Å; M59-V62 PolarHBondContact O-N 3.49Å; P60-V62 VanDerWaalsContact C-N 3.32Å; P60-V62 PolarHBondContact O-N 2.92Å; V62-M65 PolarHBondContact O-N 3Å; V62-L66 HydrophobicContact CG1-CD1 4.16Å; V62-L66 VanDerWaalsContact O-CG 3.3Å; V62-L66 WeakPolarHBondContact O-CG 3.26Å; V62-L66 PolarHBondContact O-N 3.09Å
63	V	91.4	Very high	90.4	Very high	46 Å²	46	71.2 Å²	71.2	28%	0.279	39%	0.392	S	S	.	.	H	α-helix	trans	-60	-48.9	171.5	172.5	0	0	0	0	110.3	M59 P60 M65 L66 E67	M59-V63 WeakPolarHBondContact O-CG2 3.43Å; M59-V63 PolarHBondContact O-N 2.83Å; P60-V63 PolarHBondContact O-N 2.96Å; V63-M65 VanDerWaalsContact C-N 3.31Å; V63-M65 PolarHBondContact O-N 3.38Å; V63-L66 PolarHBondContact O-N 3.42Å; V63-E67 HydrophobicContact CG1-CG 4.41Å; V63-E67 WeakPolarHBondContact O-CG 3.44Å; V63-E67 PolarHBondContact O-N 3.2Å
64	S	90.9	Very high	90.5	Very high	70 Å²	70	68 Å²	68	49%	0.49	38%	0.375	S	S	.	.	H	α-helix	trans	-60.1	-38.4	177.3	179.3	0	0	0	0	112.7	P60 L61 A68	P60-S64 WeakPolarHBondContact O-CB 3.49Å; P60-S64 PolarHBondContact O-N 3.5Å; L61-S64 PolarHBondContact O-N 3.27Å; S64-A68 WeakPolarHBondContact O-CB 3.49Å; S64-A68 PolarHBondContact O-N 3.28Å
65	M	93.4	Very high	90.7	Very high	127 Å²	127	70.9 Å²	70.9	63%	0.626	38%	0.382	S	S	*	.	H	α-helix	trans	-65.6	-39.6	173.4	-74.3	-178.9	-153.7	0	0	112.5	L61 V62 V63 L69	L61-M65 VanDerWaalsContact O-CG 3.3Å; L61-M65 WeakPolarHBondContact O-CG 3.22Å; L61-M65 PolarHBondContact O-N 3.02Å; V62-M65 PolarHBondContact O-N 3Å; V63-M65 VanDerWaalsContact C-N 3.31Å; V63-M65 PolarHBondContact O-N 3.38Å; M65-L69 VanDerWaalsContact O-CB 3.22Å; M65-L69 WeakPolarHBondContact O-CB 3.5Å; M65-L69 PolarHBondContact O-N 2.95Å
66	L	92.5	Very high	90.8	Very high	13 Å²	13	76 Å²	76	7%	0.068	40%	0.404	C	S	.	.	H	α-helix	trans	-68.1	-40.4	177.5	-72.5	168.1	0	0	0	111.5	V32 M35 A36 I39 V62 V63 L69 D70	V32-L66 HydrophobicContact CG1-CB 4.26Å; V32-L66 HydrophobicContact CG1-CD2 3.88Å; V32-L66 WeakPolarHBondContact CG1-O 3.27Å; M35-L66 HydrophobicContact CB-CD2 4.32Å; A36-L66 HydrophobicContact CB-CD1 3.77Å; A36-L66 HydrophobicContact CB-CD2 4.37Å; I39-L66 HydrophobicContact CD1-CD1 4.29Å; I39-L66 HydrophobicContact CD1-CD2 4.08Å; I39-L66 HydrophobicContact CD1-CG 4.46Å; V62-L66 HydrophobicContact CG1-CD1 4.16Å; V62-L66 VanDerWaalsContact O-CG 3.3Å; V62-L66 WeakPolarHBondContact O-CG 3.26Å; V62-L66 PolarHBondContact O-N 3.09Å; V63-L66 PolarHBondContact O-N 3.42Å; L66-L69 PolarHBondContact O-N 2.83Å; L66-D70 WeakPolarHBondContact O-CB 3.44Å; L66-D70 PolarHBondContact O-N 3.27Å
67	E	89.6	Confident	90.8	Very high	116 Å²	116	74.1 Å²	74.1	54%	0.542	40%	0.398	S	S	.	.	H	α-helix	trans	-63	-45.6	174.1	-72.3	173	176.3	0	0	111.9	V63 L69 D70 L71	V63-E67 HydrophobicContact CG1-CG 4.41Å; V63-E67 WeakPolarHBondContact O-CG 3.44Å; V63-E67 PolarHBondContact O-N 3.2Å; E67-L69 VanDerWaalsContact C-N 3.29Å; E67-L69 PolarHBondContact O-N 2.98Å; E67-D70 PolarHBondContact O-N 3.43Å; E67-L71 WeakPolarHBondContact O-CG 3.45Å; E67-L71 PolarHBondContact O-N 3.3Å
68	A	90.7	Very high	90.9	Very high	56 Å²	56	74.3 Å²	74.3	46%	0.463	39%	0.394	S	S	.	.	H	α-helix	trans	-63.2	-36.5	175.7	0	0	0	0	0	112.1	S64 S72	S64-A68 WeakPolarHBondContact O-CB 3.49Å; S64-A68 PolarHBondContact O-N 3.28Å; A68-S72 WeakPolarHBondContact O-CB 3.49Å; A68-S72 PolarHBondContact O-N 3.24Å
69	L	92.5	Very high	91.1	Very high	62 Å²	62	75.6 Å²	75.6	33%	0.325	40%	0.398	S	S	.	.	H	α-helix	trans	-70.2	-37.9	176.3	-175.5	60.4	0	0	0	112.3	V32 M35 M65 L66 E67 S72 Q73	V32-L69 HydrophobicContact CG2-CD2 4.29Å; V32-L69 HydrophobicContact CG2-CG 3.98Å; M35-L69 HydrophobicContact CE-CD2 3.31Å; M35-L69 HydrophobicContact CE-CG 4.29Å; M35-L69 HydrophobicContact SD-CD2 4.06Å; M65-L69 VanDerWaalsContact O-CB 3.22Å; M65-L69 WeakPolarHBondContact O-CB 3.5Å; M65-L69 PolarHBondContact O-N 2.95Å; L66-L69 PolarHBondContact O-N 2.83Å; E67-L69 VanDerWaalsContact C-N 3.29Å; E67-L69 PolarHBondContact O-N 2.98Å; L69-S72 PolarHBondContact O-N 3.24Å; L69-Q73 WeakPolarHBondContact O-CG 3.37Å; L69-Q73 PolarHBondContact O-N 2.77Å
70	D	92.3	Very high	91.1	Very high	10 Å²	10	76.8 Å²	76.8	5%	0.053	40%	0.403	C	S	.	.	H	α-helix	trans	-64.4	-46.4	175	-168.3	65	0	0	0	111.4	R26 M28 S29 V32 L66 E67 S72 Q73 L74	R26-D70 IonicContact CZ-OD2 3.12Å; R26-D70 IonicContact NE-OD2 3.12Å; R26-D70 PolarHBondContact NE-OD2 3.3Å; R26-D70 IonicContact NH2-OD2 3.91Å; R26-D70 PolarHBondContact NH2-OD2 3.22Å; M28-D70 WeakPolarHBondContact CA-OD1 3.34Å; M28-D70 HydrophobicContact CG-CB 4.32Å; M28-D70 VanDerWaalsContact CG-OD1 3.26Å; M28-D70 WeakPolarHBondContact CG-OD1 3.21Å; S29-D70 WeakPolarHBondContact CB-OD1 3.46Å; S29-D70 PolarHBondContact N-OD1 2.92Å; V32-D70 HydrophobicContact CG1-CB 4.24Å; V32-D70 HydrophobicContact CG2-CB 4.41Å; L66-D70 WeakPolarHBondContact O-CB 3.44Å; L66-D70 PolarHBondContact O-N 3.27Å; E67-D70 PolarHBondContact O-N 3.43Å; D70-S72 VanDerWaalsContact C-N 3.32Å; D70-S72 PolarHBondContact O-N 3.41Å; D70-Q73 PolarHBondContact O-N 3.09Å; D70-L74 PolarHBondContact O-N 2.92Å; D70-L74 VanDerWaalsContact O-N 3.09Å
71	L	90.9	Very high	91.2	Very high	82 Å²	82	76.2 Å²	76.2	43%	0.429	40%	0.398	S	S	.	.	H	α-helix	trans	-57.5	-45	172.7	-72.8	168.5	0	0	0	111.7	E67 Q73 L74 E75	E67-L71 WeakPolarHBondContact O-CG 3.45Å; E67-L71 PolarHBondContact O-N 3.3Å; L71-Q73 VanDerWaalsContact C-N 3.33Å; L71-Q73 PolarHBondContact O-N 3.02Å; L71-L74 PolarHBondContact O-N 3.02Å; L71-E75 PolarHBondContact O-N 3.41Å
72	S	90.7	Very high	91.2	Very high	59 Å²	59	76.3 Å²	76.3	41%	0.413	40%	0.396	S	S	.	.	H	α-helix	trans	-66.7	-30.2	178.2	-178.9	0	0	0	0	113.6	A68 L69 D70 K76	A68-S72 WeakPolarHBondContact O-CB 3.49Å; A68-S72 PolarHBondContact O-N 3.24Å; L69-S72 PolarHBondContact O-N 3.24Å; D70-S72 VanDerWaalsContact C-N 3.32Å; D70-S72 PolarHBondContact O-N 3.41Å; S72-K76 WeakPolarHBondContact O-CB 3.44Å; S72-K76 PolarHBondContact O-N 3.37Å
73	Q	89.6	Confident	91.1	Very high	36 Å²	36	80 Å²	80	17%	0.168	41%	0.414	C	S	.	.	H	α-helix	trans	-69.5	-39.9	172.3	-73.5	-56.7	-69	0	0	111.6	V32 L69 D70 L71 K76 E77	V32-Q73 HydrophobicContact CG2-CG 4.1Å; L69-Q73 WeakPolarHBondContact O-CG 3.37Å; L69-Q73 PolarHBondContact O-N 2.77Å; D70-Q73 PolarHBondContact O-N 3.09Å; L71-Q73 VanDerWaalsContact C-N 3.33Å; L71-Q73 PolarHBondContact O-N 3.02Å; Q73-K76 WeakPolarHBondContact O-CB 3.47Å; Q73-K76 PolarHBondContact O-N 3.39Å; Q73-E77 WeakPolarHBondContact O-CG 3.42Å; Q73-E77 PolarHBondContact O-N 3.27Å
74	L	87.8	Confident	91.1	Very high	71 Å²	71	83.4 Å²	83.4	37%	0.372	43%	0.427	S	S	.	.	H	α-helix	trans	-65.3	-46.8	178	-71	170.8	0	0	0	112.1	D70 L71 K76 E77 E78	D70-L74 PolarHBondContact O-N 2.92Å; D70-L74 VanDerWaalsContact O-N 3.09Å; L71-L74 PolarHBondContact O-N 3.02Å; L74-K76 PolarHBondContact O-N 3.24Å; L74-E77 PolarHBondContact O-N 3.11Å; L74-E77 VanDerWaalsContact O-N 3.11Å; L74-E78 PolarHBondContact O-N 3.38Å
75	E	90.4	Very high	91.1	Very high	112 Å²	112	84.9 Å²	84.9	52%	0.523	43%	0.429	S	S	.	.	H	α-helix	trans	-57.3	-36.7	174.5	-72.1	176	174.7	0	0	111.3	L71 H79	L71-E75 PolarHBondContact O-N 3.41Å; E75-H79 WeakPolarHBondContact O-CB 3.49Å; E75-H79 PolarHBondContact O-CD2 2.98Å; E75-H79 VanDerWaalsContact O-CG 3.25Å; E75-H79 PolarHBondContact O-N 3Å
76	K	90.6	Very high	90.9	Very high	110 Å²	110	83.5 Å²	83.5	48%	0.478	42%	0.423	S	S	.	.	H	α-helix	trans	-67.3	-44.2	176.1	-174.6	-166.3	167.8	-156.4	0	112.2	S72 Q73 L74 E78 H79 E80	S72-K76 WeakPolarHBondContact O-CB 3.44Å; S72-K76 PolarHBondContact O-N 3.37Å; Q73-K76 WeakPolarHBondContact O-CB 3.47Å; Q73-K76 PolarHBondContact O-N 3.39Å; L74-K76 PolarHBondContact O-N 3.24Å; K76-E78 VanDerWaalsContact C-N 3.34Å; K76-H79 PolarHBondContact O-N 3.05Å; K76-E80 WeakPolarHBondContact O-CB 3.19Å; K76-E80 PolarHBondContact O-N 2.6Å
77	E	89.7	Confident	90.9	Very high	98 Å²	98	89.1 Å²	89.1	46%	0.458	45%	0.447	S	S	.	.	H	α-helix	trans	-64.4	-40.5	177.8	-73.5	174.3	-174.1	0	0	110.9	Q73 L74 E80 V81	Q73-E77 WeakPolarHBondContact O-CG 3.42Å; Q73-E77 PolarHBondContact O-N 3.27Å; L74-E77 PolarHBondContact O-N 3.11Å; L74-E77 VanDerWaalsContact O-N 3.11Å; E77-E80 PolarHBondContact O-N 2.99Å; E77-V81 WeakPolarHBondContact O-CG2 3.45Å; E77-V81 PolarHBondContact O-N 3.02Å
78	E	91.2	Very high	91	Very high	136 Å²	136	88.8 Å²	88.8	64%	0.636	45%	0.446	S	S	*	.	H	α-helix	trans	-59.6	-48.6	173	-175.2	178.9	179.8	0	0	111.6	L74 K76 E80 V81 E82	L74-E78 PolarHBondContact O-N 3.38Å; K76-E78 VanDerWaalsContact C-N 3.34Å; E78-E80 VanDerWaalsContact C-N 3.28Å; E78-E80 PolarHBondContact O-N 3.23Å; E78-V81 PolarHBondContact O-N 3.29Å; E78-E82 PolarHBondContact O-N 3.34Å
79	H	92	Very high	90.9	Very high	102 Å²	102	90.3 Å²	90.3	47%	0.472	45%	0.446	S	S	.	.	H	α-helix	trans	-64.6	-29.6	175.6	-71.8	-39.1	0	0	0	113.6	E75 K76 E82 L83	E75-H79 WeakPolarHBondContact O-CB 3.49Å; E75-H79 PolarHBondContact O-CD2 2.98Å; E75-H79 VanDerWaalsContact O-CG 3.25Å; E75-H79 PolarHBondContact O-N 3Å; K76-H79 PolarHBondContact O-N 3.05Å; H79-E82 IonicContact ND1-OE2 3.81Å; H79-L83 VanDerWaalsContact O-CB 3.29Å; H79-L83 WeakPolarHBondContact O-CB 3.15Å; H79-L83 WeakPolarHBondContact O-CG 3.48Å; H79-L83 PolarHBondContact O-N 3.1Å
80	E	92.3	Very high	90.5	Very high	103 Å²	103	92.1 Å²	92.1	48%	0.481	46%	0.456	S	S	.	.	H	α-helix	trans	-69.4	-43.1	176.3	-171	162	-171.1	0	0	110.9	K76 E77 E78 L83 E84	K76-E80 WeakPolarHBondContact O-CB 3.19Å; K76-E80 PolarHBondContact O-N 2.6Å; E77-E80 PolarHBondContact O-N 2.99Å; E78-E80 VanDerWaalsContact C-N 3.28Å; E78-E80 PolarHBondContact O-N 3.23Å; E80-L83 PolarHBondContact O-N 3.11Å; E80-E84 PolarHBondContact O-N 3.31Å
81	V	93	Very high	90.4	Very high	69 Å²	69	98.3 Å²	98.3	42%	0.418	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-46	173.1	175.3	0	0	0	0	111.2	E77 E78 L83 E84 L85	E77-V81 WeakPolarHBondContact O-CG2 3.45Å; E77-V81 PolarHBondContact O-N 3.02Å; E78-V81 PolarHBondContact O-N 3.29Å; V81-L83 VanDerWaalsContact C-N 3.3Å; V81-L83 PolarHBondContact O-N 3.21Å; V81-E84 PolarHBondContact O-N 2.98Å; V81-E84 VanDerWaalsContact O-N 3.12Å; V81-L85 HydrophobicContact CG1-CD1 4.15Å; V81-L85 WeakPolarHBondContact O-CG 3.41Å; V81-L85 PolarHBondContact O-N 3.48Å
82	E	90.6	Very high	90.3	Very high	103 Å²	103	98.9 Å²	98.9	48%	0.481	49%	0.485	S	S	.	.	H	α-helix	trans	-60.1	-40.2	177	-168.6	-176.2	-175	0	0	111.6	E78 H79 E84 L85 L86	E78-E82 PolarHBondContact O-N 3.34Å; H79-E82 IonicContact ND1-OE2 3.81Å; E82-E84 PolarHBondContact O-N 3.4Å; E82-L85 PolarHBondContact O-N 2.82Å; E82-L86 HydrophobicContact CG-CD1 4.15Å; E82-L86 VanDerWaalsContact O-CB 3.32Å; E82-L86 WeakPolarHBondContact O-CB 3.36Å; E82-L86 VanDerWaalsContact O-CG 3.23Å; E82-L86 WeakPolarHBondContact O-CG 3.35Å; E82-L86 PolarHBondContact O-N 2.81Å
83	L	90.4	Very high	90.1	Very high	99 Å²	99	101.2 Å²	101.2	52%	0.518	49%	0.492	S	S	.	.	H	α-helix	trans	-64.5	-35.2	174.6	-94.5	160.6	0	0	0	113.3	H79 E80 V81 K87	H79-L83 VanDerWaalsContact O-CB 3.29Å; H79-L83 WeakPolarHBondContact O-CB 3.15Å; H79-L83 WeakPolarHBondContact O-CG 3.48Å; H79-L83 PolarHBondContact O-N 3.1Å; E80-L83 PolarHBondContact O-N 3.11Å; V81-L83 VanDerWaalsContact C-N 3.3Å; V81-L83 PolarHBondContact O-N 3.21Å; L83-K87 WeakPolarHBondContact O-CD 3.33Å; L83-K87 WeakPolarHBondContact O-CG 3Å; L83-K87 PolarHBondContact O-N 3.03Å; L83-K87 VanDerWaalsContact O-N 3.09Å
84	E	91.9	Very high	90	Very high	118 Å²	118	103.3 Å²	103.3	55%	0.551	51%	0.507	S	S	*	.	H	α-helix	trans	-71.1	-45.2	176.1	-73.9	-170.2	161.3	0	0	111.7	E80 V81 E82 L86 K87 E88	E80-E84 PolarHBondContact O-N 3.31Å; V81-E84 PolarHBondContact O-N 2.98Å; V81-E84 VanDerWaalsContact O-N 3.12Å; E82-E84 PolarHBondContact O-N 3.4Å; E84-L86 VanDerWaalsContact C-N 3.34Å; E84-L86 PolarHBondContact O-N 2.98Å; E84-K87 WeakPolarHBondContact O-CB 3.43Å; E84-K87 PolarHBondContact O-N 3.2Å; E84-K87 VanDerWaalsContact O-N 3.12Å; E84-E88 PolarHBondContact O-N 2.84Å
85	L	91.5	Very high	90.1	Very high	101 Å²	101	104.2 Å²	104.2	53%	0.529	52%	0.516	S	S	.	.	H	α-helix	trans	-58.8	-45.4	173.6	-68.1	172.1	0	0	0	111.4	V81 E82 K87 E88 D89	V81-L85 HydrophobicContact CG1-CD1 4.15Å; V81-L85 WeakPolarHBondContact O-CG 3.41Å; V81-L85 PolarHBondContact O-N 3.48Å; E82-L85 PolarHBondContact O-N 2.82Å; L85-K87 VanDerWaalsContact C-N 3.29Å; L85-K87 PolarHBondContact O-N 2.95Å; L85-E88 PolarHBondContact O-N 3.21Å; L85-D89 PolarHBondContact O-N 3.4Å
86	L	89.3	Confident	89.8	Confident	97 Å²	97	104.9 Å²	104.9	51%	0.508	52%	0.519	S	S	.	.	H	α-helix	trans	-64.7	-30.6	176.8	-74.8	171.7	0	0	0	113.1	E82 E84 N90	E82-L86 HydrophobicContact CG-CD1 4.15Å; E82-L86 VanDerWaalsContact O-CB 3.32Å; E82-L86 WeakPolarHBondContact O-CB 3.36Å; E82-L86 VanDerWaalsContact O-CG 3.23Å; E82-L86 WeakPolarHBondContact O-CG 3.35Å; E82-L86 PolarHBondContact O-N 2.81Å; E84-L86 VanDerWaalsContact C-N 3.34Å; E84-L86 PolarHBondContact O-N 2.98Å; L86-N90 VanDerWaalsContact O-CB 3.28Å; L86-N90 WeakPolarHBondContact O-CB 3.44Å; L86-N90 PolarHBondContact O-N 2.9Å; L86-N90 VanDerWaalsContact O-N 3.11Å
87	K	92	Very high	89.8	Confident	132 Å²	132	106.8 Å²	106.8	57%	0.574	52%	0.524	S	S	*	.	H	α-helix	trans	-70.1	-43.3	173.9	-77.7	166.2	-170.7	164.8	0	111.1	L83 E84 L85 N90 E91	L83-K87 WeakPolarHBondContact O-CD 3.33Å; L83-K87 WeakPolarHBondContact O-CG 3Å; L83-K87 PolarHBondContact O-N 3.03Å; L83-K87 VanDerWaalsContact O-N 3.09Å; E84-K87 WeakPolarHBondContact O-CB 3.43Å; E84-K87 PolarHBondContact O-N 3.2Å; E84-K87 VanDerWaalsContact O-N 3.12Å; L85-K87 VanDerWaalsContact C-N 3.29Å; L85-K87 PolarHBondContact O-N 2.95Å; K87-N90 PolarHBondContact O-N 3.43Å; K87-E91 PolarHBondContact O-N 3.08Å
88	E	91.6	Very high	89.7	Confident	108 Å²	108	106.8 Å²	106.8	51%	0.505	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-47.2	177	-172	175.8	-179.2	0	0	111	E84 L85 N90 E91 Q92	E84-E88 PolarHBondContact O-N 2.84Å; L85-E88 PolarHBondContact O-N 3.21Å; E88-N90 VanDerWaalsContact C-N 3.29Å; E88-N90 PolarHBondContact O-N 3.11Å; E88-E91 PolarHBondContact O-N 2.92Å; E88-E91 VanDerWaalsContact O-N 3.13Å; E88-Q92 WeakPolarHBondContact O-CG 3.46Å; E88-Q92 PolarHBondContact O-N 3.06Å
89	D	87.7	Confident	89.7	Confident	88 Å²	88	108.9 Å²	108.9	47%	0.471	53%	0.527	S	S	.	.	H	α-helix	trans	-57.2	-41.8	175.1	-84.4	-3.5	0	0	0	112	L85 Q92 L93	L85-D89 PolarHBondContact O-N 3.4Å; D89-Q92 PolarHBondContact O-N 3.07Å; D89-L93 WeakPolarHBondContact O-CB 3.22Å; D89-L93 VanDerWaalsContact O-CG 3.28Å; D89-L93 WeakPolarHBondContact O-CG 3.19Å; D89-L93 PolarHBondContact O-N 3.33Å
90	N	85.9	Confident	89.4	Confident	100 Å²	100	109 Å²	109	54%	0.535	53%	0.527	S	S	.	.	H	α-helix	trans	-67.9	-37.5	178.5	-155.8	-16.6	0	0	0	111.9	L86 K87 E88 L93 V94	L86-N90 VanDerWaalsContact O-CB 3.28Å; L86-N90 WeakPolarHBondContact O-CB 3.44Å; L86-N90 PolarHBondContact O-N 2.9Å; L86-N90 VanDerWaalsContact O-N 3.11Å; K87-N90 PolarHBondContact O-N 3.43Å; E88-N90 VanDerWaalsContact C-N 3.29Å; E88-N90 PolarHBondContact O-N 3.11Å; N90-L93 PolarHBondContact O-N 3.39Å; N90-V94 VanDerWaalsContact O-CG2 3.31Å; N90-V94 WeakPolarHBondContact O-CG2 3.39Å; N90-V94 PolarHBondContact O-N 3.4Å
91	E	89.5	Confident	89.2	Confident	141 Å²	141	107.8 Å²	107.8	66%	0.659	52%	0.52	S	S	*	.	H	α-helix	trans	-65.3	-41.5	174	-173.7	170.1	-171.2	0	0	112	K87 E88 V94 T95	K87-E91 PolarHBondContact O-N 3.08Å; E88-E91 PolarHBondContact O-N 2.92Å; E88-E91 VanDerWaalsContact O-N 3.13Å; E91-V94 PolarHBondContact O-N 2.85Å; E91-T95 PolarHBondContact O-N 2.86Å; E91-T95 PolarHBondContact O-OG1 2.95Å
92	Q	88.6	Confident	88.9	Confident	94 Å²	94	107.5 Å²	107.5	44%	0.439	53%	0.525	S	S	.	.	H	α-helix	trans	-62.2	-44	173.1	-67.9	-174	20.2	0	0	111.4	E88 D89 V94 T95 Q96	E88-Q92 WeakPolarHBondContact O-CG 3.46Å; E88-Q92 PolarHBondContact O-N 3.06Å; D89-Q92 PolarHBondContact O-N 3.07Å; Q92-V94 PolarHBondContact O-N 3.06Å; Q92-T95 PolarHBondContact O-N 2.82Å; Q92-Q96 WeakPolarHBondContact O-CG 3.42Å; Q92-Q96 PolarHBondContact O-N 3.21Å
93	L	86.8	Confident	88.5	Confident	108 Å²	108	107.1 Å²	107.1	57%	0.565	52%	0.523	S	S	*	.	H	α-helix	trans	-61.9	-41.7	176.6	-77	170.9	0	0	0	112.5	D89 N90 T95 Q96 Y97	D89-L93 WeakPolarHBondContact O-CB 3.22Å; D89-L93 VanDerWaalsContact O-CG 3.28Å; D89-L93 WeakPolarHBondContact O-CG 3.19Å; D89-L93 PolarHBondContact O-N 3.33Å; N90-L93 PolarHBondContact O-N 3.39Å; L93-T95 VanDerWaalsContact C-N 3.34Å; L93-T95 PolarHBondContact O-N 3.07Å; L93-Q96 PolarHBondContact O-N 2.92Å; L93-Y97 WeakPolarHBondContact O-CB 2.97Å; L93-Y97 PolarHBondContact O-N 3.49Å
94	V	88	Confident	88.4	Confident	79 Å²	79	110.1 Å²	110.1	48%	0.479	53%	0.528	S	S	.	.	H	α-helix	trans	-63.2	-41.5	175.5	169.2	0	0	0	0	111.1	N90 E91 Q92 Y97 E98	N90-V94 VanDerWaalsContact O-CG2 3.31Å; N90-V94 WeakPolarHBondContact O-CG2 3.39Å; N90-V94 PolarHBondContact O-N 3.4Å; E91-V94 PolarHBondContact O-N 2.85Å; Q92-V94 PolarHBondContact O-N 3.06Å; V94-Y97 PolarHBondContact O-N 2.93Å; V94-E98 PolarHBondContact O-N 2.66Å
95	T	88.3	Confident	88.2	Confident	90 Å²	90	110.9 Å²	110.9	55%	0.552	53%	0.529	S	S	*	.	H	α-helix	trans	-64.7	-43.1	178.1	-56.5	0	0	0	0	111.4	E91 Q92 L93 E98 R99	E91-T95 PolarHBondContact O-N 2.86Å; E91-T95 PolarHBondContact O-OG1 2.95Å; Q92-T95 PolarHBondContact O-N 2.82Å; L93-T95 VanDerWaalsContact C-N 3.34Å; L93-T95 PolarHBondContact O-N 3.07Å; T95-E98 PolarHBondContact O-N 2.85Å; T95-R99 PolarHBondContact O-N 3.48Å; T95-R99 VanDerWaalsContact O-N 3.08Å
96	Q	85.8	Confident	88	Confident	127 Å²	127	111.7 Å²	111.7	59%	0.593	53%	0.533	S	S	*	.	H	α-helix	trans	-64.2	-42.2	174.1	-71.1	-173.3	14.8	0	0	111.9	Q92 L93 R99 E100	Q92-Q96 WeakPolarHBondContact O-CG 3.42Å; Q92-Q96 PolarHBondContact O-N 3.21Å; L93-Q96 PolarHBondContact O-N 2.92Å; Q96-R99 PolarHBondContact O-N 3.45Å; Q96-E100 WeakPolarHBondContact O-CB 3.42Å; Q96-E100 PolarHBondContact O-N 2.79Å
97	Y	88.6	Confident	87.8	Confident	149 Å²	149	111.2 Å²	111.2	58%	0.584	54%	0.535	S	S	*	.	H	α-helix	trans	-61.1	-44.4	176.6	170.2	-102	0	0	0	112.7	L93 V94 R99 E100 K101	L93-Y97 WeakPolarHBondContact O-CB 2.97Å; L93-Y97 PolarHBondContact O-N 3.49Å; V94-Y97 PolarHBondContact O-N 2.93Å; Y97-R99 VanDerWaalsContact C-N 3.35Å; Y97-E100 PolarHBondContact O-N 3.21Å; Y97-K101 HydrophobicContact CE1-CD 4.13Å; Y97-K101 WeakPolarHBondContact O-CB 3.42Å; Y97-K101 PolarHBondContact O-N 3.03Å
98	E	89.6	Confident	87.4	Confident	98 Å²	98	110.2 Å²	110.2	46%	0.458	53%	0.532	S	S	.	.	H	α-helix	trans	-64.3	-39	176.3	-79.8	-74.8	138.5	0	0	111.7	V94 T95 K101 A102	V94-E98 PolarHBondContact O-N 2.66Å; T95-E98 PolarHBondContact O-N 2.85Å; E98-K101 IonicContact OE1-NZ 3.97Å; E98-K101 PolarHBondContact OE1-NZ 2.91Å; E98-K101 IonicContact OE2-NZ 3.29Å; E98-A102 WeakPolarHBondContact O-CB 3.4Å; E98-A102 PolarHBondContact O-N 3.43Å
99	R	89.3	Confident	87.1	Confident	181 Å²	181	109.9 Å²	109.9	68%	0.683	53%	0.53	S	S	*	.	H	α-helix	trans	-63.2	-46.9	174.7	-174.6	178.5	179.7	169.1	0.3	112.1	T95 Q96 Y97 A102 Q103	T95-R99 PolarHBondContact O-N 3.48Å; T95-R99 VanDerWaalsContact O-N 3.08Å; Q96-R99 PolarHBondContact O-N 3.45Å; Y97-R99 VanDerWaalsContact C-N 3.35Å; R99-A102 PolarHBondContact O-N 2.94Å; R99-Q103 WeakPolarHBondContact O-CG 3.39Å; R99-Q103 PolarHBondContact O-N 3.48Å; R99-Q103 VanDerWaalsContact O-N 3.07Å
100	E	85.6	Confident	86.9	Confident	105 Å²	105	113.5 Å²	113.5	49%	0.491	54%	0.537	S	S	.	.	H	α-helix	trans	-64.3	-43.5	179	-176	59.8	-149.4	0	0	111.4	Q96 Y97 A102 Q103 R104	Q96-E100 WeakPolarHBondContact O-CB 3.42Å; Q96-E100 PolarHBondContact O-N 2.79Å; Y97-E100 PolarHBondContact O-N 3.21Å; E100-A102 VanDerWaalsContact C-N 3.33Å; E100-A102 PolarHBondContact O-N 3.31Å; E100-Q103 PolarHBondContact O-N 3.48Å; E100-R104 WeakPolarHBondContact O-CB 3.31Å; E100-R104 PolarHBondContact O-N 3.36Å
101	K	89.6	Confident	86.4	Confident	76 Å²	76	111.6 Å²	111.6	33%	0.33	53%	0.532	S	S	.	.	H	α-helix	trans	-60.1	-39.8	175.7	175	-177.4	163.6	-156.9	0	112.6	Y97 E98 K105	Y97-K101 HydrophobicContact CE1-CD 4.13Å; Y97-K101 WeakPolarHBondContact O-CB 3.42Å; Y97-K101 PolarHBondContact O-N 3.03Å; E98-K101 IonicContact OE1-NZ 3.97Å; E98-K101 PolarHBondContact OE1-NZ 2.91Å; E98-K101 IonicContact OE2-NZ 3.29Å; K101-K105 PolarHBondContact O-N 3.05Å
102	A	85.9	Confident	86.1	Confident	63 Å²	63	110.2 Å²	110.2	52%	0.521	53%	0.526	S	S	.	.	H	α-helix	trans	-66.3	-42.7	175.4	0	0	0	0	0	111.7	E98 R99 E100 K105 L106	E98-A102 WeakPolarHBondContact O-CB 3.4Å; E98-A102 PolarHBondContact O-N 3.43Å; R99-A102 PolarHBondContact O-N 2.94Å; E100-A102 VanDerWaalsContact C-N 3.33Å; E100-A102 PolarHBondContact O-N 3.31Å; A102-K105 PolarHBondContact O-N 2.69Å; A102-L106 PolarHBondContact O-N 3.46Å
103	Q	81.8	Confident	85.9	Confident	95 Å²	95	110.5 Å²	110.5	44%	0.444	53%	0.528	S	S	.	.	H	α-helix	trans	-64.4	-41.2	175.9	-70.7	-179.7	-6.4	0	0	111.9	R99 E100 K105 L106 V107	R99-Q103 WeakPolarHBondContact O-CG 3.39Å; R99-Q103 PolarHBondContact O-N 3.48Å; R99-Q103 VanDerWaalsContact O-N 3.07Å; E100-Q103 PolarHBondContact O-N 3.48Å; Q103-K105 PolarHBondContact O-N 3.14Å; Q103-L106 WeakPolarHBondContact O-CB 3.23Å; Q103-L106 PolarHBondContact O-N 3.08Å; Q103-V107 WeakPolarHBondContact O-CG2 3.32Å; Q103-V107 PolarHBondContact O-N 3.49Å
104	R	88.7	Confident	85.4	Confident	162 Å²	162	108.8 Å²	108.8	61%	0.611	52%	0.519	S	S	*	.	H	α-helix	trans	-64.5	-39.3	179.2	-165.2	161.4	-171.8	106.6	1.1	113	E100 L106 V107 E108	E100-R104 WeakPolarHBondContact O-CB 3.31Å; E100-R104 PolarHBondContact O-N 3.36Å; R104-L106 VanDerWaalsContact C-N 3.34Å; R104-L106 PolarHBondContact O-N 3.36Å; R104-V107 PolarHBondContact O-N 3.42Å; R104-E108 WeakPolarHBondContact O-CG 3.49Å; R104-E108 PolarHBondContact O-N 2.97Å
105	K	88.8	Confident	84.7	Confident	134 Å²	134	111.1 Å²	111.1	58%	0.583	52%	0.524	S	S	*	.	H	α-helix	trans	-61.2	-41.2	172.5	-77.1	-177.9	176.2	-175	0	112.7	K101 A102 Q103 V107 E108 Q109	K101-K105 PolarHBondContact O-N 3.05Å; A102-K105 PolarHBondContact O-N 2.69Å; Q103-K105 PolarHBondContact O-N 3.14Å; K105-V107 VanDerWaalsContact C-N 3.32Å; K105-E108 PolarHBondContact O-N 3.28Å; K105-Q109 PolarHBondContact O-N 2.96Å
106	L	87.6	Confident	84.4	Confident	118 Å²	118	112.2 Å²	112.2	62%	0.618	53%	0.527	S	S	*	.	H	α-helix	trans	-64.9	-39.2	177.4	-176.7	66.5	0	0	0	111.3	A102 Q103 R104 R110	A102-L106 PolarHBondContact O-N 3.46Å; Q103-L106 WeakPolarHBondContact O-CB 3.23Å; Q103-L106 PolarHBondContact O-N 3.08Å; R104-L106 VanDerWaalsContact C-N 3.34Å; R104-L106 PolarHBondContact O-N 3.36Å; L106-R110 WeakPolarHBondContact O-CB 3.29Å; L106-R110 PolarHBondContact O-N 3.27Å; L106-R110 VanDerWaalsContact O-N 3.14Å
107	V	83.7	Confident	84.5	Confident	88 Å²	88	110.3 Å²	110.3	53%	0.533	52%	0.52	S	S	.	.	H	α-helix	trans	-68	-44.6	176.3	174.5	0	0	0	0	111.5	Q103 R104 K105 Q109 R110 C111	Q103-V107 WeakPolarHBondContact O-CG2 3.32Å; Q103-V107 PolarHBondContact O-N 3.49Å; R104-V107 PolarHBondContact O-N 3.42Å; K105-V107 VanDerWaalsContact C-N 3.32Å; V107-Q109 VanDerWaalsContact C-N 3.34Å; V107-Q109 PolarHBondContact O-N 3.09Å; V107-R110 CarbonylContact O-C 3.41Å; V107-R110 WeakPolarHBondContact O-CB 3.41Å; V107-R110 PolarHBondContact O-N 3.41Å; V107-R110 VanDerWaalsContact O-N 3.14Å; V107-C111 PolarHBondContact O-N 3.38Å; V107-C111 PolarHBondContact O-SG 2.91Å
108	E	83.8	Confident	84.2	Confident	110 Å²	110	109 Å²	109	51%	0.514	52%	0.517	S	S	.	.	H	α-helix	trans	-60.3	-41.8	176.6	-77.7	175.9	-178.8	0	0	112.3	R104 K105 R110 C111 M112	R104-E108 WeakPolarHBondContact O-CG 3.49Å; R104-E108 PolarHBondContact O-N 2.97Å; K105-E108 PolarHBondContact O-N 3.28Å; E108-R110 VanDerWaalsContact C-N 3.32Å; E108-R110 PolarHBondContact O-N 3.4Å; E108-C111 PolarHBondContact O-N 2.96Å; E108-M112 PolarHBondContact O-N 3.04Å; E108-M112 VanDerWaalsContact O-N 3.08Å
109	Q	85.6	Confident	83.6	Confident	102 Å²	102	109.3 Å²	109.3	48%	0.477	52%	0.522	S	S	.	.	H	α-helix	trans	-59.2	-45.8	173.6	-177.6	-179.4	-14.2	0	0	111.3	K105 V107 C111 M112 E113	K105-Q109 PolarHBondContact O-N 2.96Å; V107-Q109 VanDerWaalsContact C-N 3.34Å; V107-Q109 PolarHBondContact O-N 3.09Å; Q109-C111 VanDerWaalsContact C-N 3.29Å; Q109-C111 PolarHBondContact O-N 3.28Å; Q109-M112 PolarHBondContact O-N 3.21Å; Q109-E113 PolarHBondContact NE2-OE1 3.05Å; Q109-E113 VanDerWaalsContact NE2-OE1 3.09Å; Q109-E113 WeakPolarHBondContact O-CG 3.49Å; Q109-E113 PolarHBondContact O-N 2.73Å; Q109-E113 VanDerWaalsContact O-N 3.08Å
110	R	84.3	Confident	83.3	Confident	163 Å²	163	105.7 Å²	105.7	62%	0.615	52%	0.516	S	S	*	.	H	α-helix	trans	-66	-32	178.5	-165.8	174.9	-175.9	178.1	1.2	112.6	L106 V107 E108 L114	L106-R110 WeakPolarHBondContact O-CB 3.29Å; L106-R110 PolarHBondContact O-N 3.27Å; L106-R110 VanDerWaalsContact O-N 3.14Å; V107-R110 CarbonylContact O-C 3.41Å; V107-R110 WeakPolarHBondContact O-CB 3.41Å; V107-R110 PolarHBondContact O-N 3.41Å; V107-R110 VanDerWaalsContact O-N 3.14Å; E108-R110 VanDerWaalsContact C-N 3.32Å; E108-R110 PolarHBondContact O-N 3.4Å; R110-L114 VanDerWaalsContact O-CG 3.23Å; R110-L114 WeakPolarHBondContact O-CG 3.32Å; R110-L114 PolarHBondContact O-N 3.18Å
111	C	75.3	Confident	83.1	Confident	61 Å²	61	103.7 Å²	103.7	41%	0.412	51%	0.507	S	S	.	.	H	α-helix	trans	-66	-43.9	173.7	-75.5	0	0	0	0	111.9	V107 E108 Q109 E113 L114 E115	V107-C111 PolarHBondContact O-N 3.38Å; V107-C111 PolarHBondContact O-SG 2.91Å; E108-C111 PolarHBondContact O-N 2.96Å; Q109-C111 VanDerWaalsContact C-N 3.29Å; Q109-C111 PolarHBondContact O-N 3.28Å; C111-E113 PolarHBondContact O-N 3.18Å; C111-L114 PolarHBondContact O-N 3.04Å; C111-L114 VanDerWaalsContact O-N 3.16Å; C111-E115 WeakPolarHBondContact O-CG 3.41Å; C111-E115 PolarHBondContact O-N 3.43Å
112	M	82.7	Confident	82.3	Confident	112 Å²	112	106.1 Å²	106.1	55%	0.552	52%	0.518	S	S	*	.	H	α-helix	trans	-61.3	-44	175.4	-72.8	-178.4	-77	0	0	111.6	E108 Q109 L114 E115 D116	E108-M112 PolarHBondContact O-N 3.04Å; E108-M112 VanDerWaalsContact O-N 3.08Å; Q109-M112 PolarHBondContact O-N 3.21Å; M112-L114 VanDerWaalsContact C-N 3.25Å; M112-L114 PolarHBondContact O-N 2.93Å; M112-E115 PolarHBondContact O-N 2.92Å; M112-D116 PolarHBondContact O-N 3.16Å; M112-D116 VanDerWaalsContact O-N 3.14Å
113	E	83.9	Confident	82.2	Confident	100 Å²	100	108.8 Å²	108.8	47%	0.467	52%	0.517	S	S	.	.	H	α-helix	trans	-60.8	-34.8	175.4	-69.5	169.6	-169	0	0	112.2	Q109 C111 I117	Q109-E113 PolarHBondContact NE2-OE1 3.05Å; Q109-E113 VanDerWaalsContact NE2-OE1 3.09Å; Q109-E113 WeakPolarHBondContact O-CG 3.49Å; Q109-E113 PolarHBondContact O-N 2.73Å; Q109-E113 VanDerWaalsContact O-N 3.08Å; C111-E113 PolarHBondContact O-N 3.18Å; E113-I117 VanDerWaalsContact O-CD1 3.3Å; E113-I117 WeakPolarHBondContact O-CD1 3.49Å; E113-I117 WeakPolarHBondContact O-CG1 3.43Å; E113-I117 PolarHBondContact O-N 3.07Å
114	L	76.9	Confident	82.3	Confident	72 Å²	72	108.6 Å²	108.6	38%	0.377	52%	0.517	S	S	.	.	H	α-helix	trans	-72.8	-38.1	175.7	-73.5	169	0	0	0	112.8	R110 C111 M112 I117 F118	R110-L114 VanDerWaalsContact O-CG 3.23Å; R110-L114 WeakPolarHBondContact O-CG 3.32Å; R110-L114 PolarHBondContact O-N 3.18Å; C111-L114 PolarHBondContact O-N 3.04Å; C111-L114 VanDerWaalsContact O-N 3.16Å; M112-L114 VanDerWaalsContact C-N 3.25Å; M112-L114 PolarHBondContact O-N 2.93Å; L114-I117 PolarHBondContact O-N 2.73Å; L114-F118 HydrophobicContact CB-CE2 4.29Å; L114-F118 WeakPolarHBondContact O-CD2 3.1Å; L114-F118 PolarHBondContact O-N 3.1Å
115	E	72.1	Confident	81.8	Confident	127 Å²	127	104.1 Å²	104.1	59%	0.593	50%	0.504	S	S	*	.	H	α-helix	trans	-61.4	-44.5	176.4	-74.6	177.3	170.5	0	0	111.7	C111 M112 I117 F118 D119	C111-E115 WeakPolarHBondContact O-CG 3.41Å; C111-E115 PolarHBondContact O-N 3.43Å; M112-E115 PolarHBondContact O-N 2.92Å; E115-I117 VanDerWaalsContact C-N 3.32Å; E115-I117 PolarHBondContact O-N 2.79Å; E115-F118 PolarHBondContact O-N 3.17Å; E115-F118 VanDerWaalsContact O-N 3.16Å; E115-D119 PolarHBondContact O-N 2.89Å
116	D	83.8	Confident	81.3	Confident	113 Å²	113	102.9 Å²	102.9	60%	0.604	50%	0.496	S	S	*	.	H	α-helix	trans	-60.4	-42.5	176.1	-74.1	-18.8	0	0	0	111.5	M112 F118 D119 D120	M112-D116 PolarHBondContact O-N 3.16Å; M112-D116 VanDerWaalsContact O-N 3.14Å; D116-F118 VanDerWaalsContact C-N 3.34Å; D116-F118 PolarHBondContact O-N 2.83Å; D116-D119 PolarHBondContact O-N 2.69Å; D116-D120 PolarHBondContact O-N 2.71Å
117	I	86.6	Confident	81.2	Confident	87 Å²	87	101.5 Å²	101.5	45%	0.446	49%	0.489	S	S	.	.	H	α-helix	trans	-62.4	-42	176.1	-67.3	164.9	0	0	0	110.8	E113 L114 E115 D120 E121	E113-I117 VanDerWaalsContact O-CD1 3.3Å; E113-I117 WeakPolarHBondContact O-CD1 3.49Å; E113-I117 WeakPolarHBondContact O-CG1 3.43Å; E113-I117 PolarHBondContact O-N 3.07Å; L114-I117 PolarHBondContact O-N 2.73Å; E115-I117 VanDerWaalsContact C-N 3.32Å; E115-I117 PolarHBondContact O-N 2.79Å; I117-D120 PolarHBondContact O-N 3.11Å; I117-E121 HydrophobicContact CG2-CG 4.47Å; I117-E121 WeakPolarHBondContact O-CG 3.11Å; I117-E121 PolarHBondContact O-N 2.91Å
118	F	81.8	Confident	81.2	Confident	122 Å²	122	99.7 Å²	99.7	54%	0.535	47%	0.474	S	S	.	.	H	α-helix	trans	-66.3	-36.8	178.9	-76.7	-56.7	0	0	0	113	L114 E115 D116 D120 E121 K122	L114-F118 HydrophobicContact CB-CE2 4.29Å; L114-F118 WeakPolarHBondContact O-CD2 3.1Å; L114-F118 PolarHBondContact O-N 3.1Å; E115-F118 PolarHBondContact O-N 3.17Å; E115-F118 VanDerWaalsContact O-N 3.16Å; D116-F118 VanDerWaalsContact C-N 3.34Å; D116-F118 PolarHBondContact O-N 2.83Å; F118-D120 VanDerWaalsContact C-N 3.32Å; F118-E121 PolarHBondContact O-N 3.17Å; F118-K122 VanDerWaalsContact O-CB 3.26Å; F118-K122 WeakPolarHBondContact O-CB 3.18Å; F118-K122 PolarHBondContact O-N 2.73Å
119	D	77.7	Confident	80.7	Confident	104 Å²	104	99.6 Å²	99.6	56%	0.556	48%	0.475	S	S	*	.	H	α-helix	trans	-66.5	-35.9	176.9	-89.1	-18.9	0	0	0	112.1	E115 D116 K123	E115-D119 PolarHBondContact O-N 2.89Å; D116-D119 PolarHBondContact O-N 2.69Å; D119-K123 PolarHBondContact O-N 2.78Å; D119-K123 VanDerWaalsContact O-N 3.14Å
120	D	83.5	Confident	80.6	Confident	105 Å²	105	100.8 Å²	100.8	56%	0.561	48%	0.481	S	S	*	.	H	α-helix	trans	-67.6	-46.6	172.5	-79.2	-20.1	0	0	0	112	D116 I117 F118 K122 K123 E124	D116-D120 PolarHBondContact O-N 2.71Å; I117-D120 PolarHBondContact O-N 3.11Å; F118-D120 VanDerWaalsContact C-N 3.32Å; D120-K122 VanDerWaalsContact C-N 3.32Å; D120-K122 PolarHBondContact O-N 2.75Å; D120-K123 WeakPolarHBondContact O-CB 3.2Å; D120-K123 PolarHBondContact O-N 3.25Å; D120-K123 VanDerWaalsContact O-N 3.07Å; D120-E124 PolarHBondContact O-N 3.41Å
121	E	80.1	Confident	80.6	Confident	64 Å²	64	95.9 Å²	95.9	30%	0.299	47%	0.471	S	S	.	.	H	α-helix	trans	-60	-42.1	175.7	-72.7	-173.8	167.2	0	0	111.9	I117 F118 K123 E124 L125 V1002	I117-E121 HydrophobicContact CG2-CG 4.47Å; I117-E121 WeakPolarHBondContact O-CG 3.11Å; I117-E121 PolarHBondContact O-N 2.91Å; F118-E121 PolarHBondContact O-N 3.17Å; E121-K123 PolarHBondContact O-N 3.49Å; E121-E124 PolarHBondContact O-N 2.92Å; E121-L125 WeakPolarHBondContact O-CB 3.47Å; E121-L125 PolarHBondContact O-N 2.93Å; E121-V1002 HydrophobicContact CB-CG1 4.16Å; E121-V1002 HydrophobicContact CG-CG1 3.87Å
122	K	73.3	Confident	80.8	Confident	127 Å²	127	98 Å²	98	55%	0.552	48%	0.478	S	S	*	.	H	α-helix	trans	-63.7	-30.7	177.6	-164	-166.3	174.8	173.3	0	111.4	F118 D120 R126	F118-K122 VanDerWaalsContact O-CB 3.26Å; F118-K122 WeakPolarHBondContact O-CB 3.18Å; F118-K122 PolarHBondContact O-N 2.73Å; D120-K122 VanDerWaalsContact C-N 3.32Å; D120-K122 PolarHBondContact O-N 2.75Å; K122-R126 VanDerWaalsContact CG-NH1 3.28Å; K122-R126 WeakPolarHBondContact O-CG 3.33Å; K122-R126 PolarHBondContact O-N 2.83Å; K122-R126 PolarHBondContact O-NH1 3.34Å
123	K	85.1	Confident	80.6	Confident	118 Å²	118	97 Å²	97	51%	0.513	47%	0.472	S	S	.	.	H	α-helix	trans	-70.8	-49.3	174.6	-175.8	-176.2	171.7	-169.5	0	111	D119 D120 E121 L125 R126 D127	D119-K123 PolarHBondContact O-N 2.78Å; D119-K123 VanDerWaalsContact O-N 3.14Å; D120-K123 WeakPolarHBondContact O-CB 3.2Å; D120-K123 PolarHBondContact O-N 3.25Å; D120-K123 VanDerWaalsContact O-N 3.07Å; E121-K123 PolarHBondContact O-N 3.49Å; K123-L125 VanDerWaalsContact C-N 3.26Å; K123-L125 PolarHBondContact O-N 3.43Å; K123-R126 WeakPolarHBondContact O-CB 3.42Å; K123-R126 PolarHBondContact O-N 3.3Å; K123-R126 VanDerWaalsContact O-N 3.14Å; K123-D127 PolarHBondContact O-N 2.88Å
124	E	82.9	Confident	80.7	Confident	92 Å²	92	95.2 Å²	95.2	43%	0.43	47%	0.47	S	S	.	.	H	α-helix	trans	-60.8	-36.4	177.1	-67.6	-170.5	177.2	0	0	113.1	D120 E121 R126 D127 K128	D120-E124 PolarHBondContact O-N 3.41Å; E121-E124 PolarHBondContact O-N 2.92Å; E124-R126 VanDerWaalsContact C-N 3.34Å; E124-D127 PolarHBondContact O-N 3.29Å; E124-K128 WeakPolarHBondContact O-CG 3.47Å; E124-K128 PolarHBondContact O-N 2.9Å; E124-K128 IonicContact OE2-NZ 3.24Å
125	L	78.2	Confident	81	Confident	67 Å²	67	95.7 Å²	95.7	35%	0.351	47%	0.472	S	S	.	.	H	α-helix	trans	-64.4	-37.6	176.7	-94.1	172.6	0	0	0	113.1	E121 K123 K128 M129 V1002	E121-L125 WeakPolarHBondContact O-CB 3.47Å; E121-L125 PolarHBondContact O-N 2.93Å; K123-L125 VanDerWaalsContact C-N 3.26Å; K123-L125 PolarHBondContact O-N 3.43Å; L125-K128 PolarHBondContact O-N 2.77Å; L125-M129 WeakPolarHBondContact O-CB 3.36Å; L125-M129 PolarHBondContact O-N 2.68Å; L125-V1002 WeakPolarHBondContact CD2-O 3.38Å; L125-V1002 WeakPolarHBondContact CG-O 3.37Å
126	R	77.7	Confident	81.6	Confident	109 Å²	109	93.1 Å²	93.1	41%	0.411	47%	0.465	S	S	.	.	H	α-helix	trans	-63.1	-44.2	173.1	-73	-174.4	-59.1	-92.4	9.9	110.7	K122 K123 E124 K128 M129 E130	K122-R126 VanDerWaalsContact CG-NH1 3.28Å; K122-R126 WeakPolarHBondContact O-CG 3.33Å; K122-R126 PolarHBondContact O-N 2.83Å; K122-R126 PolarHBondContact O-NH1 3.34Å; K123-R126 WeakPolarHBondContact O-CB 3.42Å; K123-R126 PolarHBondContact O-N 3.3Å; K123-R126 VanDerWaalsContact O-N 3.14Å; E124-R126 VanDerWaalsContact C-N 3.34Å; R126-K128 VanDerWaalsContact C-N 3.34Å; R126-K128 PolarHBondContact O-N 2.92Å; R126-M129 WeakPolarHBondContact O-CB 3.48Å; R126-M129 PolarHBondContact O-N 3.32Å; R126-E130 PolarHBondContact O-N 3.14Å
127	D	86.2	Confident	81.8	Confident	89 Å²	89	94.6 Å²	94.6	48%	0.476	46%	0.463	S	S	.	.	H	α-helix	trans	-63.7	-39.9	178.5	-59.9	-12.2	0	0	0	111.6	K123 E124 S131	K123-D127 PolarHBondContact O-N 2.88Å; E124-D127 PolarHBondContact O-N 3.29Å; D127-S131 PolarHBondContact O-N 3.33Å; D127-S131 VanDerWaalsContact O-N 3.13Å
128	K	83.4	Confident	81.8	Confident	49 Å²	49	95.3 Å²	95.3	21%	0.213	47%	0.465	C	S	.	.	H	α-helix	trans	-64.3	-42.6	173.9	-75.7	169.9	-175	147.4	0	111.8	E124 L125 R126 S131 L132	E124-K128 WeakPolarHBondContact O-CG 3.47Å; E124-K128 PolarHBondContact O-N 2.9Å; E124-K128 IonicContact OE2-NZ 3.24Å; L125-K128 PolarHBondContact O-N 2.77Å; R126-K128 VanDerWaalsContact C-N 3.34Å; R126-K128 PolarHBondContact O-N 2.92Å; K128-S131 PolarHBondContact O-N 2.86Å; K128-S131 PolarHBondContact O-OG 2.75Å; K128-L132 PolarHBondContact O-N 3.17Å
129	M	74.5	Confident	81.8	Confident	108 Å²	108	94.3 Å²	94.3	53%	0.532	47%	0.465	S	S	.	.	H	α-helix	trans	-61.2	-45.1	178	-168.4	169.3	72.4	0	0	111.3	L125 R126 S131 L132 E133	L125-M129 WeakPolarHBondContact O-CB 3.36Å; L125-M129 PolarHBondContact O-N 2.68Å; R126-M129 WeakPolarHBondContact O-CB 3.48Å; R126-M129 PolarHBondContact O-N 3.32Å; M129-S131 VanDerWaalsContact C-N 3.28Å; M129-S131 PolarHBondContact O-N 3.29Å; M129-L132 PolarHBondContact O-N 2.86Å; M129-E133 WeakPolarHBondContact O-CG 3.23Å; M129-E133 PolarHBondContact O-N 3.12Å
130	E	83	Confident	82.2	Confident	128 Å²	128	95.4 Å²	95.4	60%	0.598	47%	0.467	S	S	*	.	H	α-helix	trans	-59.9	-37.8	174.6	-71.2	-178.5	-174.5	0	0	112.2	R126 S134	R126-E130 PolarHBondContact O-N 3.14Å; E130-S134 PolarHBondContact O-N 3.37Å
131	S	84.3	Confident	82.4	Confident	59 Å²	59	95.6 Å²	95.6	41%	0.413	47%	0.467	S	S	.	.	H	α-helix	trans	-68.7	-40.2	176.7	81.4	0	0	0	0	113.1	D127 K128 M129 S134 I135	D127-S131 PolarHBondContact O-N 3.33Å; D127-S131 VanDerWaalsContact O-N 3.13Å; K128-S131 PolarHBondContact O-N 2.86Å; K128-S131 PolarHBondContact O-OG 2.75Å; M129-S131 VanDerWaalsContact C-N 3.28Å; M129-S131 PolarHBondContact O-N 3.29Å; S131-S134 WeakPolarHBondContact O-CB 3.34Å; S131-S134 PolarHBondContact O-N 3.36Å; S131-I135 WeakPolarHBondContact O-CG1 3.32Å; S131-I135 PolarHBondContact O-N 3.1Å; S131-I135 VanDerWaalsContact O-N 3.13Å
132	L	78.7	Confident	82.8	Confident	106 Å²	106	98.3 Å²	98.3	56%	0.555	48%	0.478	S	S	*	.	H	α-helix	trans	-69.9	-40.5	178.4	-74.8	172.4	0	0	0	111.2	K128 M129 S134 I135 V136	K128-L132 PolarHBondContact O-N 3.17Å; M129-L132 PolarHBondContact O-N 2.86Å; L132-S134 PolarHBondContact O-N 3.39Å; L132-I135 HydrophobicContact CD2-CD1 4.46Å; L132-I135 PolarHBondContact O-N 2.69Å; L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 2.98Å
133	E	79.4	Confident	83.3	Confident	92 Å²	92	94.3 Å²	94.3	43%	0.43	47%	0.472	S	S	.	.	H	α-helix	trans	-57.7	-36.1	172.3	-75.1	179	-172	0	0	112	M129 R137	M129-E133 WeakPolarHBondContact O-CG 3.23Å; M129-E133 PolarHBondContact O-N 3.12Å; E133-R137 WeakPolarHBondContact O-CG 3.39Å; E133-R137 PolarHBondContact O-N 3.44Å; E133-R137 VanDerWaalsContact O-N 3.11Å; E133-R137 IonicContact OE2-NH2 3.81Å
134	S	85	Confident	83.6	Confident	62 Å²	62	95.3 Å²	95.3	43%	0.434	48%	0.477	S	S	.	.	H	α-helix	trans	-66.5	-41.1	173.9	-168.8	0	0	0	0	112.5	E130 S131 L132 M138	E130-S134 PolarHBondContact O-N 3.37Å; S131-S134 WeakPolarHBondContact O-CB 3.34Å; S131-S134 PolarHBondContact O-N 3.36Å; L132-S134 PolarHBondContact O-N 3.39Å; S134-M138 PolarHBondContact O-N 3Å; S134-M138 VanDerWaalsContact O-N 3.13Å
135	I	84.2	Confident	84	Confident	81 Å²	81	94.7 Å²	94.7	42%	0.415	48%	0.476	S	S	.	.	H	α-helix	trans	-67.1	-43.3	176.9	-66.6	168.2	0	0	0	111.1	S131 L132 R137 M138 L139	S131-I135 WeakPolarHBondContact O-CG1 3.32Å; S131-I135 PolarHBondContact O-N 3.1Å; S131-I135 VanDerWaalsContact O-N 3.13Å; L132-I135 HydrophobicContact CD2-CD1 4.46Å; L132-I135 PolarHBondContact O-N 2.69Å; I135-R137 VanDerWaalsContact C-N 3.35Å; I135-R137 PolarHBondContact O-N 2.91Å; I135-M138 WeakPolarHBondContact O-CB 3.25Å; I135-M138 PolarHBondContact O-N 3.23Å; I135-M138 VanDerWaalsContact O-N 3.1Å; I135-L139 HydrophobicContact CG2-CD1 4.06Å; I135-L139 HydrophobicContact CG2-CG 4.36Å; I135-L139 WeakPolarHBondContact O-CG 3.4Å; I135-L139 PolarHBondContact O-N 3.35Å
136	V	83.8	Confident	84.4	Confident	74 Å²	74	95 Å²	95	45%	0.448	48%	0.484	S	S	.	.	H	α-helix	trans	-58.8	-47.5	176.8	171.9	0	0	0	0	110.2	L132 M138 L139 E140	L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 2.98Å; V136-M138 VanDerWaalsContact C-N 3.27Å; V136-M138 PolarHBondContact O-N 3.06Å; V136-L139 PolarHBondContact O-N 2.87Å; V136-L139 VanDerWaalsContact O-N 3.07Å; V136-E140 HydrophobicContact CG1-CG 4.3Å; V136-E140 WeakPolarHBondContact O-CG 3.46Å; V136-E140 PolarHBondContact O-N 2.66Å
137	R	88.8	Confident	84.8	Confident	144 Å²	144	92.6 Å²	92.6	54%	0.543	49%	0.487	S	S	.	.	H	α-helix	trans	-57	-38	174.5	-78.2	-175.6	-113	126	-3.5	113	E133 I135 L141	E133-R137 WeakPolarHBondContact O-CG 3.39Å; E133-R137 PolarHBondContact O-N 3.44Å; E133-R137 VanDerWaalsContact O-N 3.11Å; E133-R137 IonicContact OE2-NH2 3.81Å; I135-R137 VanDerWaalsContact C-N 3.35Å; I135-R137 PolarHBondContact O-N 2.91Å; R137-L141 PolarHBondContact O-N 3.12Å
138	M	86	Confident	85	Confident	102 Å²	102	92.7 Å²	92.7	50%	0.502	49%	0.488	S	S	.	.	H	α-helix	trans	-67.4	-41.9	175.7	-171.3	-154.8	-59.8	0	0	112.1	S134 I135 V136 L141 K142	S134-M138 PolarHBondContact O-N 3Å; S134-M138 VanDerWaalsContact O-N 3.13Å; I135-M138 WeakPolarHBondContact O-CB 3.25Å; I135-M138 PolarHBondContact O-N 3.23Å; I135-M138 VanDerWaalsContact O-N 3.1Å; V136-M138 VanDerWaalsContact C-N 3.27Å; V136-M138 PolarHBondContact O-N 3.06Å; M138-L141 PolarHBondContact O-N 3.09Å; M138-K142 PolarHBondContact O-N 3.31Å
139	L	81.3	Confident	85	Confident	101 Å²	101	96.6 Å²	96.6	53%	0.529	51%	0.507	S	S	.	.	H	α-helix	trans	-69.5	-39	179.7	-70.9	175.3	0	0	0	112	I135 V136 L141 K142 G143	I135-L139 HydrophobicContact CG2-CD1 4.06Å; I135-L139 HydrophobicContact CG2-CG 4.36Å; I135-L139 WeakPolarHBondContact O-CG 3.4Å; I135-L139 PolarHBondContact O-N 3.35Å; V136-L139 PolarHBondContact O-N 2.87Å; V136-L139 VanDerWaalsContact O-N 3.07Å; L139-L141 VanDerWaalsContact C-N 3.3Å; L139-L141 PolarHBondContact O-N 3.01Å; L139-K142 PolarHBondContact O-N 3.08Å; L139-G143 PolarHBondContact O-N 2.99Å
140	E	87.1	Confident	85.7	Confident	127 Å²	127	95.1 Å²	95.1	59%	0.593	50%	0.503	S	S	*	.	H	α-helix	trans	-57.9	-43.2	172.4	-73.3	174.2	164.7	0	0	111.3	V136 G143 K144	V136-E140 HydrophobicContact CG1-CG 4.3Å; V136-E140 WeakPolarHBondContact O-CG 3.46Å; V136-E140 PolarHBondContact O-N 2.66Å; E140-G143 PolarHBondContact O-N 3.26Å; E140-K144 WeakPolarHBondContact O-CB 3.49Å; E140-K144 PolarHBondContact O-N 3.44Å
141	L	87.4	Confident	86.1	Confident	108 Å²	108	91.8 Å²	91.8	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-64.4	-41.6	176	-163.6	80.5	0	0	0	112	R137 M138 L139 K144 N145	R137-L141 PolarHBondContact O-N 3.12Å; M138-L141 PolarHBondContact O-N 3.09Å; L139-L141 VanDerWaalsContact C-N 3.3Å; L139-L141 PolarHBondContact O-N 3.01Å; L141-K144 PolarHBondContact O-N 3.11Å; L141-N145 PolarHBondContact O-N 3.11Å
142	K	87.7	Confident	86.4	Confident	122 Å²	122	96.4 Å²	96.4	53%	0.53	50%	0.502	S	S	.	.	H	α-helix	trans	-64.7	-44	175.6	-77.4	-177	175.6	-179.7	0	112	M138 L139 K144 N145 S146	M138-K142 PolarHBondContact O-N 3.31Å; L139-K142 PolarHBondContact O-N 3.08Å; K142-K144 VanDerWaalsContact C-N 3.32Å; K142-K144 PolarHBondContact O-N 3.48Å; K142-N145 PolarHBondContact O-N 3.41Å; K142-S146 PolarHBondContact O-N 3.24Å; K142-S146 PolarHBondContact O-OG 3.4Å
143	G	84.8	Confident	86.9	Confident	42 Å²	42	96.7 Å²	96.7	43%	0.433	50%	0.504	S	S	.	.	H	α-helix	trans	-59.4	-43	176.4	0	0	0	0	0	111.9	L139 E140 S146 A147	L139-G143 PolarHBondContact O-N 2.99Å; E140-G143 PolarHBondContact O-N 3.26Å; G143-S146 PolarHBondContact O-N 2.81Å; G143-A147 PolarHBondContact O-N 2.69Å
144	K	91.4	Very high	87.4	Confident	139 Å²	139	96.7 Å²	96.7	60%	0.604	50%	0.504	S	S	*	.	H	α-helix	trans	-61	-46.1	174.4	-170.9	173.5	-179.6	172.3	0	112.5	E140 L141 K142 S146 A147 D148	E140-K144 WeakPolarHBondContact O-CB 3.49Å; E140-K144 PolarHBondContact O-N 3.44Å; L141-K144 PolarHBondContact O-N 3.11Å; K142-K144 VanDerWaalsContact C-N 3.32Å; K142-K144 PolarHBondContact O-N 3.48Å; K144-S146 VanDerWaalsContact C-N 3.34Å; K144-S146 PolarHBondContact O-N 3.41Å; K144-A147 PolarHBondContact O-N 2.97Å; K144-D148 PolarHBondContact O-N 2.9Å
145	N	91	Very high	87.7	Confident	80 Å²	80	99.2 Å²	99.2	43%	0.428	51%	0.509	S	S	.	.	H	α-helix	trans	-62.9	-39.7	177.2	-69.3	-15.9	0	0	0	112.3	L141 K142 D148 H149	L141-N145 PolarHBondContact O-N 3.11Å; K142-N145 PolarHBondContact O-N 3.41Å; N145-D148 PolarHBondContact O-N 3.28Å; N145-H149 PolarHBondContact O-CD2 2.97Å; N145-H149 PolarHBondContact O-N 2.92Å; N145-H149 VanDerWaalsContact O-N 3.13Å
146	S	85.9	Confident	87.9	Confident	73 Å²	73	102.6 Å²	102.6	51%	0.51	52%	0.516	S	S	.	.	H	α-helix	trans	-65.9	-40.3	176.3	-69.7	0	0	0	0	112.4	K142 G143 K144 H149 V150	K142-S146 PolarHBondContact O-N 3.24Å; K142-S146 PolarHBondContact O-OG 3.4Å; G143-S146 PolarHBondContact O-N 2.81Å; K144-S146 VanDerWaalsContact C-N 3.34Å; K144-S146 PolarHBondContact O-N 3.41Å; S146-H149 WeakPolarHBondContact O-CB 3.33Å; S146-H149 PolarHBondContact O-N 3.44Å; S146-V150 WeakPolarHBondContact O-CG2 3.4Å; S146-V150 PolarHBondContact O-N 3.41Å; S146-V150 VanDerWaalsContact O-N 3.09Å
147	A	87.2	Confident	88.2	Confident	58 Å²	58	103.4 Å²	103.4	48%	0.479	52%	0.515	S	S	.	.	H	α-helix	trans	-61.8	-43.3	174.9	0	0	0	0	0	111.8	G143 K144 H149 V150 C151	G143-A147 PolarHBondContact O-N 2.69Å; K144-A147 PolarHBondContact O-N 2.97Å; A147-H149 VanDerWaalsContact C-N 3.26Å; A147-H149 PolarHBondContact O-N 3.17Å; A147-V150 PolarHBondContact O-N 3.38Å; A147-C151 PolarHBondContact O-N 3.28Å
148	D	89.8	Confident	88.4	Confident	92 Å²	92	100.4 Å²	100.4	49%	0.492	51%	0.512	S	S	.	.	H	α-helix	trans	-60.8	-34.6	174.6	-72.2	-7.7	0	0	0	111.9	K144 N145 R152	K144-D148 PolarHBondContact O-N 2.9Å; N145-D148 PolarHBondContact O-N 3.28Å; D148-R152 VanDerWaalsContact O-CG 3.29Å; D148-R152 WeakPolarHBondContact O-CG 3.24Å; D148-R152 PolarHBondContact O-N 3.21Å
149	H	83.8	Confident	88.7	Confident	130 Å²	130	101.3 Å²	101.3	60%	0.602	52%	0.516	S	S	*	.	H	α-helix	trans	-68.1	-40.6	174.8	-80.1	-65.2	0	0	0	113.1	N145 S146 A147 R152 L153	N145-H149 PolarHBondContact O-CD2 2.97Å; N145-H149 PolarHBondContact O-N 2.92Å; N145-H149 VanDerWaalsContact O-N 3.13Å; S146-H149 WeakPolarHBondContact O-CB 3.33Å; S146-H149 PolarHBondContact O-N 3.44Å; A147-H149 VanDerWaalsContact C-N 3.26Å; A147-H149 PolarHBondContact O-N 3.17Å; H149-R152 PolarHBondContact O-N 2.7Å; H149-L153 PolarHBondContact O-N 3.39Å
150	V	88.8	Confident	89	Confident	77 Å²	77	102.9 Å²	102.9	47%	0.467	52%	0.522	S	S	.	.	H	α-helix	trans	-64.2	-47.3	178	172.8	0	0	0	0	110.5	S146 A147 R152 L153 E154	S146-V150 WeakPolarHBondContact O-CG2 3.4Å; S146-V150 PolarHBondContact O-N 3.41Å; S146-V150 VanDerWaalsContact O-N 3.09Å; A147-V150 PolarHBondContact O-N 3.38Å; V150-R152 PolarHBondContact O-N 2.68Å; V150-L153 WeakPolarHBondContact O-CA 2.94Å; V150-L153 WeakPolarHBondContact O-CB 3.34Å; V150-L153 PolarHBondContact O-N 3.19Å; V150-E154 HydrophobicContact CG1-CG 4.23Å; V150-E154 PolarHBondContact O-N 2.9Å
151	C	92.3	Very high	89.3	Confident	59 Å²	59	103 Å²	103	40%	0.399	52%	0.52	S	S	.	.	H	α-helix	trans	-53.7	-40.6	177.3	-173.6	0	0	0	0	112	A147 L153 E154 E155	A147-C151 PolarHBondContact O-N 3.28Å; C151-L153 VanDerWaalsContact C-N 3.31Å; C151-L153 PolarHBondContact O-N 2.93Å; C151-E154 PolarHBondContact O-N 3.08Å; C151-E155 WeakPolarHBondContact O-CG 3.45Å; C151-E155 PolarHBondContact O-N 3.38Å
152	R	90.5	Very high	89.5	Confident	156 Å²	156	103 Å²	103	59%	0.589	52%	0.517	S	S	*	.	H	α-helix	trans	-72.6	-19.5	178.3	-66.5	177.9	82.9	144.6	9.9	114.4	D148 H149 V150 R156	D148-R152 VanDerWaalsContact O-CG 3.29Å; D148-R152 WeakPolarHBondContact O-CG 3.24Å; D148-R152 PolarHBondContact O-N 3.21Å; H149-R152 PolarHBondContact O-N 2.7Å; V150-R152 PolarHBondContact O-N 2.68Å; R152-R156 PolarHBondContact O-NH1 2.61Å
153	L	88.3	Confident	89.7	Confident	111 Å²	111	102.5 Å²	102.5	58%	0.581	52%	0.517	S	S	*	.	H	α-helix	trans	-85.6	-39.8	173.7	-70.9	173.5	0	0	0	110.6	H149 V150 C151 E155 R156 E157	H149-L153 PolarHBondContact O-N 3.39Å; V150-L153 WeakPolarHBondContact O-CA 2.94Å; V150-L153 WeakPolarHBondContact O-CB 3.34Å; V150-L153 PolarHBondContact O-N 3.19Å; C151-L153 VanDerWaalsContact C-N 3.31Å; C151-L153 PolarHBondContact O-N 2.93Å; L153-E155 VanDerWaalsContact C-N 3.34Å; L153-E155 PolarHBondContact O-N 3.13Å; L153-R156 WeakPolarHBondContact O-CB 3.45Å; L153-R156 PolarHBondContact O-N 3.15Å; L153-R156 VanDerWaalsContact O-N 3.15Å; L153-E157 PolarHBondContact O-N 2.73Å
154	E	90.7	Very high	90	Very high	93 Å²	93	108.4 Å²	108.4	44%	0.435	53%	0.527	S	S	.	.	H	α-helix	trans	-60.2	-43.3	174.1	-69	177	150.7	0	0	111.3	V150 C151 R156 E157 V158	V150-E154 HydrophobicContact CG1-CG 4.23Å; V150-E154 PolarHBondContact O-N 2.9Å; C151-E154 PolarHBondContact O-N 3.08Å; E154-R156 VanDerWaalsContact C-N 3.32Å; E154-R156 PolarHBondContact O-N 3.39Å; E154-E157 WeakPolarHBondContact O-CB 3.48Å; E154-E157 PolarHBondContact O-N 2.96Å; E154-E157 VanDerWaalsContact O-N 3.16Å; E154-V158 WeakPolarHBondContact O-CG2 3.46Å; E154-V158 PolarHBondContact O-N 3.39Å
155	E	90.1	Very high	90.1	Very high	115 Å²	115	104.7 Å²	104.7	54%	0.537	52%	0.519	S	S	.	.	H	α-helix	trans	-56.5	-43.5	173	-76.8	176.5	169.6	0	0	112.2	C151 L153 E157 V158 E159	C151-E155 WeakPolarHBondContact O-CG 3.45Å; C151-E155 PolarHBondContact O-N 3.38Å; L153-E155 VanDerWaalsContact C-N 3.34Å; L153-E155 PolarHBondContact O-N 3.13Å; E155-E157 PolarHBondContact O-N 3.16Å; E155-V158 PolarHBondContact O-N 2.95Å; E155-E159 WeakPolarHBondContact O-CG 3.4Å; E155-E159 PolarHBondContact O-N 3.22Å
156	R	89.6	Confident	90.2	Very high	151 Å²	151	105.8 Å²	105.8	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-66.7	-35.6	176.8	-79.8	-165.7	179.6	89	-5.1	113.1	R152 L153 E154 E159 M160	R152-R156 PolarHBondContact O-NH1 2.61Å; L153-R156 WeakPolarHBondContact O-CB 3.45Å; L153-R156 PolarHBondContact O-N 3.15Å; L153-R156 VanDerWaalsContact O-N 3.15Å; E154-R156 VanDerWaalsContact C-N 3.32Å; E154-R156 PolarHBondContact O-N 3.39Å; R156-E159 PolarHBondContact O-N 2.83Å; R156-M160 WeakPolarHBondContact O-CB 3.2Å; R156-M160 PolarHBondContact O-N 2.9Å
157	E	91	Very high	90.5	Very high	92 Å²	92	107.6 Å²	107.6	43%	0.43	52%	0.523	S	S	.	.	H	α-helix	trans	-65.2	-42.7	176.4	-168.8	-165.4	148.5	0	0	110.8	L153 E154 E155 M160 K161	L153-E157 PolarHBondContact O-N 2.73Å; E154-E157 WeakPolarHBondContact O-CB 3.48Å; E154-E157 PolarHBondContact O-N 2.96Å; E154-E157 VanDerWaalsContact O-N 3.16Å; E155-E157 PolarHBondContact O-N 3.16Å; E157-M160 PolarHBondContact O-N 2.99Å; E157-K161 HydrophobicContact CG-CD 4.45Å; E157-K161 WeakPolarHBondContact O-CG 3.28Å; E157-K161 PolarHBondContact O-N 3.33Å; E157-K161 VanDerWaalsContact OE1-CE 3.23Å; E157-K161 WeakPolarHBondContact OE1-CE 3.15Å; E157-K161 IonicContact OE1-NZ 3.38Å; E157-K161 PolarHBondContact OE1-NZ 3.27Å
158	V	92	Very high	90.8	Very high	80 Å²	80	109.8 Å²	109.8	49%	0.485	52%	0.524	S	S	.	.	H	α-helix	trans	-62.1	-45.4	176.1	173.6	0	0	0	0	111	E154 E155 M160 K161 Q162	E154-V158 WeakPolarHBondContact O-CG2 3.46Å; E154-V158 PolarHBondContact O-N 3.39Å; E155-V158 PolarHBondContact O-N 2.95Å; V158-M160 VanDerWaalsContact C-N 3.33Å; V158-M160 PolarHBondContact O-N 2.92Å; V158-K161 PolarHBondContact O-N 2.96Å; V158-Q162 WeakPolarHBondContact O-CG 3.45Å; V158-Q162 PolarHBondContact O-N 3.28Å
159	E	91.3	Very high	91	Very high	122 Å²	122	110 Å²	110	57%	0.57	52%	0.524	S	S	*	.	H	α-helix	trans	-57.7	-44.5	174.6	-72.9	176.3	174.5	0	0	111.8	E155 R156 Q162 E163	E155-E159 WeakPolarHBondContact O-CG 3.4Å; E155-E159 PolarHBondContact O-N 3.22Å; R156-E159 PolarHBondContact O-N 2.83Å; E159-Q162 PolarHBondContact O-N 2.86Å; E159-E163 PolarHBondContact O-N 2.85Å; E159-E163 VanDerWaalsContact O-N 3.11Å
160	M	89.5	Confident	91.4	Very high	134 Å²	134	112.7 Å²	112.7	66%	0.66	53%	0.529	S	S	*	.	H	α-helix	trans	-64.5	-42.4	178.5	-166.8	-146.9	-57.3	0	0	112.2	R156 E157 V158 Q162 E163 Y164	R156-M160 WeakPolarHBondContact O-CB 3.2Å; R156-M160 PolarHBondContact O-N 2.9Å; E157-M160 PolarHBondContact O-N 2.99Å; V158-M160 VanDerWaalsContact C-N 3.33Å; V158-M160 PolarHBondContact O-N 2.92Å; M160-Q162 VanDerWaalsContact C-N 3.31Å; M160-Q162 PolarHBondContact O-N 2.8Å; M160-E163 PolarHBondContact O-N 2.85Å; M160-Y164 PolarHBondContact O-N 2.79Å
161	K	92.6	Very high	91.5	Very high	128 Å²	128	116.2 Å²	116.2	56%	0.557	54%	0.535	S	S	*	.	H	α-helix	trans	-60.7	-40	176.3	-79.7	173.5	167	168.2	0	111.8	E157 V158 Y164 S165	E157-K161 HydrophobicContact CG-CD 4.45Å; E157-K161 WeakPolarHBondContact O-CG 3.28Å; E157-K161 PolarHBondContact O-N 3.33Å; E157-K161 VanDerWaalsContact OE1-CE 3.23Å; E157-K161 WeakPolarHBondContact OE1-CE 3.15Å; E157-K161 IonicContact OE1-NZ 3.38Å; E157-K161 PolarHBondContact OE1-NZ 3.27Å; V158-K161 PolarHBondContact O-N 2.96Å; K161-Y164 PolarHBondContact O-N 2.85Å; K161-S165 PolarHBondContact O-N 2.99Å
162	Q	92.3	Very high	91.5	Very high	108 Å²	108	115.3 Å²	115.3	51%	0.505	53%	0.528	S	S	.	.	H	α-helix	trans	-64.3	-42.8	175.4	-70.8	178.6	11.3	0	0	112.1	V158 E159 M160 Y164 S165 K166	V158-Q162 WeakPolarHBondContact O-CG 3.45Å; V158-Q162 PolarHBondContact O-N 3.28Å; E159-Q162 PolarHBondContact O-N 2.86Å; M160-Q162 VanDerWaalsContact C-N 3.31Å; M160-Q162 PolarHBondContact O-N 2.8Å; Q162-Y164 VanDerWaalsContact C-N 3.35Å; Q162-S165 PolarHBondContact O-N 2.95Å; Q162-K166 WeakPolarHBondContact O-CG 3.35Å; Q162-K166 PolarHBondContact O-N 3.19Å
163	E	90.8	Very high	91.5	Very high	112 Å²	112	114 Å²	114	52%	0.523	53%	0.528	S	S	.	.	H	α-helix	trans	-64.6	-38.2	175.9	-71.4	-59.2	125.4	0	0	112.2	E159 M160 K166 L167	E159-E163 PolarHBondContact O-N 2.85Å; E159-E163 VanDerWaalsContact O-N 3.11Å; M160-E163 PolarHBondContact O-N 2.85Å; E163-K166 PolarHBondContact O-N 3.18Å; E163-K166 IonicContact OE1-NZ 3.83Å; E163-K166 PolarHBondContact OE1-NZ 2.93Å; E163-L167 WeakPolarHBondContact O-CB 3.39Å; E163-L167 PolarHBondContact O-N 3.47Å
164	Y	91.2	Very high	91.7	Very high	166 Å²	166	114.2 Å²	114.2	65%	0.651	53%	0.53	S	S	*	.	H	α-helix	trans	-63.1	-43.4	174.2	-171.1	-92.2	0	0	0	112.1	M160 K161 Q162 L167 H168	M160-Y164 PolarHBondContact O-N 2.79Å; K161-Y164 PolarHBondContact O-N 2.85Å; Q162-Y164 VanDerWaalsContact C-N 3.35Å; Y164-L167 WeakPolarHBondContact O-CB 3.35Å; Y164-L167 PolarHBondContact O-N 3.03Å; Y164-H168 PolarHBondContact O-N 2.55Å
165	S	93	Very high	91.7	Very high	62 Å²	62	115.4 Å²	115.4	43%	0.434	53%	0.534	S	S	.	.	H	α-helix	trans	-60.9	-47.7	175.8	-169.7	0	0	0	0	111.7	K161 Q162 L167 H168 D169	K161-S165 PolarHBondContact O-N 2.99Å; Q162-S165 PolarHBondContact O-N 2.95Å; S165-L167 PolarHBondContact O-N 3.06Å; S165-H168 WeakPolarHBondContact O-CB 3.42Å; S165-H168 PolarHBondContact O-N 2.73Å; S165-H168 VanDerWaalsContact O-N 3.12Å; S165-D169 PolarHBondContact O-N 2.8Å
166	K	93.9	Very high	91.6	Very high	103 Å²	103	117.3 Å²	117.3	45%	0.448	54%	0.536	S	S	.	.	H	α-helix	trans	-58.9	-37.6	176.6	-69.5	172.2	-165.2	166.6	0	111.9	Q162 E163 R170	Q162-K166 WeakPolarHBondContact O-CG 3.35Å; Q162-K166 PolarHBondContact O-N 3.19Å; E163-K166 PolarHBondContact O-N 3.18Å; E163-K166 IonicContact OE1-NZ 3.83Å; E163-K166 PolarHBondContact OE1-NZ 2.93Å; K166-R170 WeakPolarHBondContact O-CG 3.12Å; K166-R170 PolarHBondContact O-N 3.5Å
167	L	92.5	Very high	91.7	Very high	111 Å²	111	113.6 Å²	113.6	58%	0.581	53%	0.53	S	S	*	.	H	α-helix	trans	-68.8	-40.7	177.2	-172.9	64.3	0	0	0	111.6	E163 Y164 S165 R170 Y171	E163-L167 WeakPolarHBondContact O-CB 3.39Å; E163-L167 PolarHBondContact O-N 3.47Å; Y164-L167 WeakPolarHBondContact O-CB 3.35Å; Y164-L167 PolarHBondContact O-N 3.03Å; S165-L167 PolarHBondContact O-N 3.06Å; L167-R170 PolarHBondContact O-N 2.8Å; L167-Y171 PolarHBondContact O-N 2.85Å
168	H	92.4	Very high	91.6	Very high	104 Å²	104	114.6 Å²	114.6	48%	0.481	54%	0.535	S	S	.	.	H	α-helix	trans	-62.9	-42.1	176	-171.2	77.3	0	0	0	112.3	Y164 S165 R170 Y171 T172	Y164-H168 PolarHBondContact O-N 2.55Å; S165-H168 WeakPolarHBondContact O-CB 3.42Å; S165-H168 PolarHBondContact O-N 2.73Å; S165-H168 VanDerWaalsContact O-N 3.12Å; H168-R170 PolarHBondContact O-N 2.84Å; H168-Y171 PolarHBondContact O-N 2.84Å; H168-T172 PolarHBondContact O-N 2.88Å; H168-T172 PolarHBondContact O-OG1 3.03Å
169	D	93.7	Very high	91.4	Very high	95 Å²	95	114.6 Å²	114.6	51%	0.508	53%	0.53	S	S	.	.	H	α-helix	trans	-61.7	-44.6	175.7	-67.9	-29	0	0	0	111.4	S165 Y171 T172 E173	S165-D169 PolarHBondContact O-N 2.8Å; D169-Y171 PolarHBondContact O-N 2.81Å; D169-T172 PolarHBondContact O-N 2.96Å; D169-E173 PolarHBondContact O-N 3.1Å
170	R	92.1	Very high	91.2	Very high	187 Å²	187	112.3 Å²	112.3	71%	0.706	52%	0.522	S	S	*	.	H	α-helix	trans	-60.9	-41.6	175.1	-76.3	-173.1	-168.3	-171.4	6	112.7	K166 L167 H168 T172 E173 L174	K166-R170 WeakPolarHBondContact O-CG 3.12Å; K166-R170 PolarHBondContact O-N 3.5Å; L167-R170 PolarHBondContact O-N 2.8Å; H168-R170 PolarHBondContact O-N 2.84Å; R170-T172 VanDerWaalsContact C-N 3.34Å; R170-E173 PolarHBondContact O-N 2.83Å; R170-L174 WeakPolarHBondContact O-CB 3.45Å; R170-L174 PolarHBondContact O-N 3.12Å
171	Y	91.1	Very high	91	Very high	152 Å²	152	113.3 Å²	113.3	60%	0.596	52%	0.52	S	S	*	.	H	α-helix	trans	-62.7	-43.9	176.9	178.5	-94.1	0	0	0	111.2	L167 H168 D169 L174 F175	L167-Y171 PolarHBondContact O-N 2.85Å; H168-Y171 PolarHBondContact O-N 2.84Å; D169-Y171 PolarHBondContact O-N 2.81Å; Y171-L174 PolarHBondContact O-N 2.87Å; Y171-F175 WeakPolarHBondContact O-CB 3.34Å; Y171-F175 PolarHBondContact O-N 3.41Å
172	T	92	Very high	90.6	Very high	40 Å²	40	111.5 Å²	111.5	25%	0.245	51%	0.514	C	S	.	.	H	α-helix	trans	-64.2	-41.8	178.9	-56	0	0	0	0	111.8	H168 D169 R170 F175 R176	H168-T172 PolarHBondContact O-N 2.88Å; H168-T172 PolarHBondContact O-OG1 3.03Å; D169-T172 PolarHBondContact O-N 2.96Å; R170-T172 VanDerWaalsContact C-N 3.34Å; T172-F175 PolarHBondContact O-N 2.99Å; T172-R176 PolarHBondContact O-N 2.97Å
173	E	92.4	Very high	90.1	Very high	127 Å²	127	112.8 Å²	112.8	59%	0.593	52%	0.52	S	S	*	.	H	α-helix	trans	-66.7	-43.1	176.1	-171.6	164	-161.3	0	0	111.9	D169 R170 F175 R176 T177	D169-E173 PolarHBondContact O-N 3.1Å; R170-E173 PolarHBondContact O-N 2.83Å; E173-F175 VanDerWaalsContact C-N 3.28Å; E173-F175 PolarHBondContact O-N 2.96Å; E173-R176 PolarHBondContact O-N 3.37Å; E173-T177 WeakPolarHBondContact O-CG2 3.37Å; E173-T177 PolarHBondContact O-N 3.39Å; E173-T177 PolarHBondContact O-OG1 2.88Å
174	L	91.8	Very high	89.7	Confident	117 Å²	117	115 Å²	115	61%	0.613	52%	0.524	S	S	*	.	H	α-helix	trans	-58.1	-42.9	173.8	-174.9	65.5	0	0	0	111.2	R170 Y171 T177 H178	R170-L174 WeakPolarHBondContact O-CB 3.45Å; R170-L174 PolarHBondContact O-N 3.12Å; Y171-L174 PolarHBondContact O-N 2.87Å; L174-T177 PolarHBondContact O-N 3.27Å; L174-T177 PolarHBondContact O-OG1 3.01Å; L174-H178 PolarHBondContact O-N 3.37Å
175	F	90.1	Very high	89.2	Confident	118 Å²	118	109 Å²	109	52%	0.518	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-44.1	176.4	-169.9	-94	0	0	0	112.4	Y171 T172 E173 H178 M179	Y171-F175 WeakPolarHBondContact O-CB 3.34Å; Y171-F175 PolarHBondContact O-N 3.41Å; T172-F175 PolarHBondContact O-N 2.99Å; E173-F175 VanDerWaalsContact C-N 3.28Å; E173-F175 PolarHBondContact O-N 2.96Å; F175-H178 PolarHBondContact O-N 3.03Å; F175-M179 HydrophobicContact CD1-CG 4.1Å; F175-M179 HydrophobicContact CE1-CG 3.81Å; F175-M179 HydrophobicContact CE1-SD 4.05Å; F175-M179 HydrophobicContact CZ-CG 4.35Å; F175-M179 HydrophobicContact CZ-SD 4.3Å; F175-M179 WeakPolarHBondContact O-CG 3.49Å; F175-M179 PolarHBondContact O-N 3.33Å
176	R	89.2	Confident	88.5	Confident	155 Å²	155	111.3 Å²	111.3	59%	0.585	51%	0.507	S	S	*	.	H	α-helix	trans	-60.3	-47.4	174.3	-74.4	-169.6	-164.9	101.8	2.9	112.2	T172 E173 H178 M179 D180	T172-R176 PolarHBondContact O-N 2.97Å; E173-R176 PolarHBondContact O-N 3.37Å; R176-H178 PolarHBondContact O-N 2.91Å; R176-M179 WeakPolarHBondContact O-CB 3.47Å; R176-M179 PolarHBondContact O-N 2.9Å; R176-M179 VanDerWaalsContact O-N 3.09Å; R176-D180 PolarHBondContact O-N 3.47Å
177	T	90.1	Very high	87.6	Confident	73 Å²	73	115.3 Å²	115.3	45%	0.448	52%	0.524	S	S	.	.	H	α-helix	trans	-61.4	-34.9	178.8	61	0	0	0	0	112.4	E173 L174 Y181	E173-T177 WeakPolarHBondContact O-CG2 3.37Å; E173-T177 PolarHBondContact O-N 3.39Å; E173-T177 PolarHBondContact O-OG1 2.88Å; L174-T177 PolarHBondContact O-N 3.27Å; L174-T177 PolarHBondContact O-OG1 3.01Å; T177-Y181 WeakPolarHBondContact O-CB 3.46Å; T177-Y181 PolarHBondContact O-N 2.76Å
178	H	89.2	Confident	86.9	Confident	113 Å²	113	117 Å²	117	52%	0.523	53%	0.533	S	S	.	.	H	α-helix	trans	-67	-41.9	173.9	-167.8	-46	0	0	0	111.7	L174 F175 R176 Y181 M182	L174-H178 PolarHBondContact O-N 3.37Å; F175-H178 PolarHBondContact O-N 3.03Å; R176-H178 PolarHBondContact O-N 2.91Å; H178-Y181 PolarHBondContact O-N 3.32Å; H178-M182 WeakPolarHBondContact O-CG 3.13Å; H178-M182 PolarHBondContact O-N 3.23Å
179	M	88.7	Confident	86	Confident	79 Å²	79	116.1 Å²	116.1	39%	0.389	53%	0.53	S	S	.	.	H	α-helix	trans	-62.4	-47.8	175.6	-69.5	-95.4	74.7	0	0	111.5	F175 R176 Y181 M182 E183	F175-M179 HydrophobicContact CD1-CG 4.1Å; F175-M179 HydrophobicContact CE1-CG 3.81Å; F175-M179 HydrophobicContact CE1-SD 4.05Å; F175-M179 HydrophobicContact CZ-CG 4.35Å; F175-M179 HydrophobicContact CZ-SD 4.3Å; F175-M179 WeakPolarHBondContact O-CG 3.49Å; F175-M179 PolarHBondContact O-N 3.33Å; R176-M179 WeakPolarHBondContact O-CB 3.47Å; R176-M179 PolarHBondContact O-N 2.9Å; R176-M179 VanDerWaalsContact O-N 3.09Å; M179-Y181 VanDerWaalsContact C-N 3.28Å; M179-Y181 PolarHBondContact O-N 3.27Å; M179-M182 HydrophobicContact CE-CE 4.36Å; M179-M182 HydrophobicContact CE-SD 3.73Å; M179-M182 WeakPolarHBondContact O-CB 3.19Å; M179-M182 PolarHBondContact O-N 3.26Å; M179-M182 VanDerWaalsContact O-N 3.08Å; M179-E183 PolarHBondContact O-N 3.23Å
180	D	87.5	Confident	84.2	Confident	74 Å²	74	113.3 Å²	113.3	40%	0.396	52%	0.524	S	S	.	.	H	α-helix	trans	-58.5	-39.4	176.7	-73.3	-2.8	0	0	0	112.2	R176 E183 R184	R176-D180 PolarHBondContact O-N 3.47Å; D180-E183 PolarHBondContact O-N 2.92Å; D180-R184 WeakPolarHBondContact O-CB 3.27Å; D180-R184 WeakPolarHBondContact O-CG 3.35Å; D180-R184 PolarHBondContact O-N 3.35Å
181	Y	84.4	Confident	82.6	Confident	156 Å²	156	106.5 Å²	106.5	61%	0.612	51%	0.511	S	S	*	.	H	α-helix	trans	-64.6	-42.4	175.9	179.9	-92.1	0	0	0	111.8	T177 H178 M179 R184 T185	T177-Y181 WeakPolarHBondContact O-CB 3.46Å; T177-Y181 PolarHBondContact O-N 2.76Å; H178-Y181 PolarHBondContact O-N 3.32Å; M179-Y181 VanDerWaalsContact C-N 3.28Å; M179-Y181 PolarHBondContact O-N 3.27Å; Y181-R184 PolarHBondContact O-N 2.98Å; Y181-T185 WeakPolarHBondContact O-CB 3.41Å; Y181-T185 PolarHBondContact O-N 2.93Å; Y181-T185 PolarHBondContact O-OG1 3.37Å
182	M	83.3	Confident	80.9	Confident	89 Å²	89	106.3 Å²	106.3	44%	0.438	52%	0.521	S	S	.	.	H	α-helix	trans	-61.7	-43.9	176.1	-73.1	-179.9	65.2	0	0	111.3	H178 M179 T185 K186	H178-M182 WeakPolarHBondContact O-CG 3.13Å; H178-M182 PolarHBondContact O-N 3.23Å; M179-M182 HydrophobicContact CE-CE 4.36Å; M179-M182 HydrophobicContact CE-SD 3.73Å; M179-M182 WeakPolarHBondContact O-CB 3.19Å; M179-M182 PolarHBondContact O-N 3.26Å; M179-M182 VanDerWaalsContact O-N 3.08Å; M182-T185 PolarHBondContact O-N 3.04Å; M182-K186 WeakPolarHBondContact O-CB 3.24Å; M182-K186 PolarHBondContact O-N 3.05Å
183	E	82.5	Confident	79	Confident	135 Å²	135	111.8 Å²	111.8	63%	0.631	54%	0.541	S	S	*	.	H	α-helix	trans	-65.1	-44.2	177.3	-71.1	-171.1	169.3	0	0	112.7	M179 D180 T185 K186 F187	M179-E183 PolarHBondContact O-N 3.23Å; D180-E183 PolarHBondContact O-N 2.92Å; E183-T185 VanDerWaalsContact C-N 3.32Å; E183-T185 PolarHBondContact O-N 3.13Å; E183-K186 WeakPolarHBondContact O-CB 3.34Å; E183-K186 PolarHBondContact O-N 3.32Å; E183-F187 PolarHBondContact O-N 2.88Å
184	R	82.1	Confident	77.3	Confident	159 Å²	159	108 Å²	108	60%	0.6	52%	0.523	S	S	*	.	H	α-helix	trans	-60.7	-42	174.6	-75.6	-172.6	-167.7	109.7	4.3	112	D180 Y181 K186 F187 L188	D180-R184 WeakPolarHBondContact O-CB 3.27Å; D180-R184 WeakPolarHBondContact O-CG 3.35Å; D180-R184 PolarHBondContact O-N 3.35Å; Y181-R184 PolarHBondContact O-N 2.98Å; R184-K186 VanDerWaalsContact C-N 3.31Å; R184-K186 PolarHBondContact O-N 3.32Å; R184-F187 PolarHBondContact O-N 3.38Å; R184-L188 PolarHBondContact O-N 3.35Å
185	T	80.5	Confident	75.5	Confident	40 Å²	40	107.1 Å²	107.1	25%	0.245	52%	0.519	C	S	.	.	H	α-helix	trans	-62.2	-41.5	177.3	-56.5	0	0	0	0	111.1	Y181 M182 E183 F187 L188 M189 F194	Y181-T185 WeakPolarHBondContact O-CB 3.41Å; Y181-T185 PolarHBondContact O-N 2.93Å; Y181-T185 PolarHBondContact O-OG1 3.37Å; M182-T185 PolarHBondContact O-N 3.04Å; E183-T185 VanDerWaalsContact C-N 3.32Å; E183-T185 PolarHBondContact O-N 3.13Å; T185-F187 PolarHBondContact O-N 2.86Å; T185-L188 PolarHBondContact O-N 3.41Å; T185-M189 PolarHBondContact O-N 3.37Å; T185-M189 VanDerWaalsContact O-N 3.13Å; T185-F194 HydrophobicContact CG2-CE2 4.46Å
186	K	78.9	Confident	73.7	Confident	111 Å²	111	105.4 Å²	105.4	48%	0.483	52%	0.518	S	S	.	.	H	α-helix	trans	-61.5	-41.4	175.5	-174.5	173.2	-176.1	-178.5	0	112.5	M182 E183 R184 F194	M182-K186 WeakPolarHBondContact O-CB 3.24Å; M182-K186 PolarHBondContact O-N 3.05Å; E183-K186 WeakPolarHBondContact O-CB 3.34Å; E183-K186 PolarHBondContact O-N 3.32Å; R184-K186 VanDerWaalsContact C-N 3.31Å; R184-K186 PolarHBondContact O-N 3.32Å; K186-F194 HydrophobicContact CB-CD1 4.28Å; K186-F194 HydrophobicContact CB-CD2 4.04Å; K186-F194 HydrophobicContact CB-CE1 4.15Å; K186-F194 HydrophobicContact CB-CE2 3.9Å; K186-F194 HydrophobicContact CB-CG 4.21Å; K186-F194 HydrophobicContact CB-CZ 3.95Å; K186-F194 HydrophobicContact CD-CD1 4.02Å; K186-F194 HydrophobicContact CD-CE1 3.89Å; K186-F194 HydrophobicContact CD-CZ 4.43Å; K186-F194 HydrophobicContact CG-CB 4.45Å; K186-F194 HydrophobicContact CG-CD1 3.67Å; K186-F194 HydrophobicContact CG-CD2 4.19Å; K186-F194 HydrophobicContact CG-CE1 3.84Å; K186-F194 HydrophobicContact CG-CE2 4.35Å; K186-F194 HydrophobicContact CG-CG 3.84Å; K186-F194 HydrophobicContact CG-CZ 4.18Å
187	F	75.2	Confident	72	Confident	187 Å²	187	101.6 Å²	101.6	82%	0.82	51%	0.514	S	S	*	.	H	α-helix	trans	-67	-43.1	176.9	-170.5	-93.5	0	0	0	112.5	E183 R184 T185 M189 G190	E183-F187 PolarHBondContact O-N 2.88Å; R184-F187 PolarHBondContact O-N 3.38Å; T185-F187 PolarHBondContact O-N 2.86Å; F187-M189 PolarHBondContact O-N 3.01Å; F187-G190 PolarHBondContact O-N 3.33Å
188	L	76.8	Confident	70.2	Confident	147 Å²	147	101.9 Å²	101.9	77%	0.77	52%	0.519	S	S	*	.	H	α-helix	trans	-65.2	-35.3	-179.8	-87.8	151.9	0	0	0	113.7	R184 T185 G190	R184-L188 PolarHBondContact O-N 3.35Å; T185-L188 PolarHBondContact O-N 3.41Å; L188-G190 VanDerWaalsContact C-N 3.31Å; L188-G190 PolarHBondContact O-N 3.48Å
189	M	73.7	Confident	68.1	Low	85 Å²	85	99.7 Å²	99.7	42%	0.419	52%	0.517	S	S	.	.	H	α-helix	trans	-75.3	-17.6	-179.8	-82.8	-177.4	153.5	0	0	113.5	T185 F187 K193 F194	T185-M189 PolarHBondContact O-N 3.37Å; T185-M189 VanDerWaalsContact O-N 3.13Å; F187-M189 PolarHBondContact O-N 3.01Å; M189-K193 WeakPolarHBondContact O-CB 3.27Å; M189-F194 HydrophobicContact CB-CB 4.1Å; M189-F194 HydrophobicContact CB-CD2 4.24Å; M189-F194 HydrophobicContact SD-CD2 3.86Å
190	G	56.5	Low	65.8	Low	36 Å²	36	105.3 Å²	105.3	37%	0.371	54%	0.535	S	S	.	.			trans	71	132.2	-168.4	0	0	0	0	0	110.7	F187 L188 D192 K193 F194	F187-G190 PolarHBondContact O-N 3.33Å; L188-G190 VanDerWaalsContact C-N 3.31Å; L188-G190 PolarHBondContact O-N 3.48Å; G190-D192 PolarHBondContact O-N 2.86Å; G190-K193 PolarHBondContact O-N 3.39Å; G190-F194 PolarHBondContact O-N 3.45Å; G190-F194 VanDerWaalsContact O-N 3.1Å
191	G	58.7	Low	63.9	Low	43 Å²	43	108.2 Å²	108.2	44%	0.443	56%	0.555	S	S	.	*	H	α-helix	trans	-48.1	-42.4	-169.7	0	0	0	0	0	114.1	K193 F194 D195	G191-K193 VanDerWaalsContact C-N 3.34Å; G191-K193 PolarHBondContact O-N 2.84Å; G191-F194 PolarHBondContact O-N 3.45Å; G191-D195 PolarHBondContact O-N 3.46Å
192	D	55.4	Low	61.7	Low	148 Å²	148	104.9 Å²	104.9	79%	0.791	55%	0.554	S	S	*	*	H	α-helix	trans	-69.2	-25.3	-177.6	-61.9	-17.6	0	0	0	114.2	G190 V196	G190-D192 PolarHBondContact O-N 2.86Å; D192-V196 VanDerWaalsContact O-CG2 3.32Å; D192-V196 WeakPolarHBondContact O-CG2 3.24Å
193	K	53	Low	59.1	Low	156 Å²	156	108.3 Å²	108.3	68%	0.678	57%	0.574	S	S	*	*	H	α-helix	trans	-94.2	-25.4	175.8	-61.4	-173.2	177.6	-175.8	0	112.7	M189 G190 G191 V196 C197	M189-K193 WeakPolarHBondContact O-CB 3.27Å; G190-K193 PolarHBondContact O-N 3.39Å; G191-K193 VanDerWaalsContact C-N 3.34Å; G191-K193 PolarHBondContact O-N 2.84Å; K193-V196 PolarHBondContact O-N 2.81Å; K193-C197 PolarHBondContact O-N 2.81Å; K193-C197 VanDerWaalsContact O-N 3.1Å
194	F	55.3	Low	56.6	Low	48 Å²	48	111 Å²	111	21%	0.211	59%	0.587	C	S	.	*	H	α-helix	trans	-66.7	-42.4	176.8	-172.3	-96.9	0	0	0	111.4	T185 K186 M189 G190 G191 V196 C197 S198	T185-F194 HydrophobicContact CG2-CE2 4.46Å; K186-F194 HydrophobicContact CB-CD1 4.28Å; K186-F194 HydrophobicContact CB-CD2 4.04Å; K186-F194 HydrophobicContact CB-CE1 4.15Å; K186-F194 HydrophobicContact CB-CE2 3.9Å; K186-F194 HydrophobicContact CB-CG 4.21Å; K186-F194 HydrophobicContact CB-CZ 3.95Å; K186-F194 HydrophobicContact CD-CD1 4.02Å; K186-F194 HydrophobicContact CD-CE1 3.89Å; K186-F194 HydrophobicContact CD-CZ 4.43Å; K186-F194 HydrophobicContact CG-CB 4.45Å; K186-F194 HydrophobicContact CG-CD1 3.67Å; K186-F194 HydrophobicContact CG-CD2 4.19Å; K186-F194 HydrophobicContact CG-CE1 3.84Å; K186-F194 HydrophobicContact CG-CE2 4.35Å; K186-F194 HydrophobicContact CG-CG 3.84Å; K186-F194 HydrophobicContact CG-CZ 4.18Å; M189-F194 HydrophobicContact CB-CB 4.1Å; M189-F194 HydrophobicContact CB-CD2 4.24Å; M189-F194 HydrophobicContact SD-CD2 3.86Å; G190-F194 PolarHBondContact O-N 3.45Å; G190-F194 VanDerWaalsContact O-N 3.1Å; G191-F194 PolarHBondContact O-N 3.45Å; F194-V196 VanDerWaalsContact C-N 3.27Å; F194-V196 PolarHBondContact O-N 3.45Å; F194-C197 PolarHBondContact O-N 3.47Å; F194-S198 PolarHBondContact O-N 3.29Å
195	D	54.2	Low	54.3	Low	98 Å²	98	109.1 Å²	109.1	52%	0.524	60%	0.595	S	S	.	*	H	α-helix	trans	-66.6	-30.4	177	-72.3	-19	0	0	0	112.1	G191 S198 S199	G191-D195 PolarHBondContact O-N 3.46Å; D195-S198 PolarHBondContact O-N 3.01Å; D195-S199 WeakPolarHBondContact O-CB 3.39Å; D195-S199 PolarHBondContact O-N 3.39Å; D195-S199 PolarHBondContact O-OG 3.44Å
196	V	53.2	Low	51.9	Low	81 Å²	81	112.5 Å²	112.5	49%	0.491	62%	0.621	S	S	.	*	H	α-helix	trans	-71.1	-40.6	175.2	176.3	0	0	0	0	111.6	D192 K193 F194 S198 S199 Y200	D192-V196 VanDerWaalsContact O-CG2 3.32Å; D192-V196 WeakPolarHBondContact O-CG2 3.24Å; K193-V196 PolarHBondContact O-N 2.81Å; F194-V196 VanDerWaalsContact C-N 3.27Å; F194-V196 PolarHBondContact O-N 3.45Å; V196-S198 VanDerWaalsContact C-N 3.34Å; V196-S199 PolarHBondContact O-N 3.23Å; V196-Y200 HydrophobicContact CG1-CE2 3.98Å; V196-Y200 WeakPolarHBondContact O-CD2 3.27Å
197	C	53.1	Low	49.5	Very low	76 Å²	76	117 Å²	117	51%	0.514	64%	0.64	S	S	.	*	H	α-helix	trans	-68	-32.5	172.7	-94.6	0	0	0	0	112.6	K193 F194 S199	K193-C197 PolarHBondContact O-N 2.81Å; K193-C197 VanDerWaalsContact O-N 3.1Å; F194-C197 PolarHBondContact O-N 3.47Å; C197-S199 VanDerWaalsContact C-N 3.33Å
198	S	51.3	Low	47.2	Very low	78 Å²	78	111.9 Å²	111.9	55%	0.545	64%	0.64	S	S	.	*	H	α-helix	trans	-72.9	-26.4	174.5	-158.7	0	0	0	0	112.8	F194 D195 V196	F194-S198 PolarHBondContact O-N 3.29Å; D195-S198 PolarHBondContact O-N 3.01Å; V196-S198 VanDerWaalsContact C-N 3.34Å
199	S	45.1	Very low	44.9	Very low	68 Å²	68	113.6 Å²	113.6	48%	0.476	64%	0.641	S	S	.	*	H	α-helix	trans	-77.5	-17.9	-178.3	-62.2	0	0	0	0	114.2	D195 V196 C197 V201 S202	D195-S199 WeakPolarHBondContact O-CB 3.39Å; D195-S199 PolarHBondContact O-N 3.39Å; D195-S199 PolarHBondContact O-OG 3.44Å; V196-S199 PolarHBondContact O-N 3.23Å; C197-S199 VanDerWaalsContact C-N 3.33Å; S199-V201 PolarHBondContact O-N 3.21Å; S199-V201 VanDerWaalsContact O-N 3.12Å; S199-S202 PolarHBondContact O-N 2.53Å
200	Y	42.2	Very low	42.6	Very low	197 Å²	197	115.9 Å²	115.9	77%	0.773	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-4	175.1	-82.4	-76.1	0	0	0	114	V196	V196-Y200 HydrophobicContact CG1-CE2 3.98Å; V196-Y200 WeakPolarHBondContact O-CD2 3.27Å
201	V	45.7	Very low	41.3	Very low	134 Å²	134	120.2 Å²	120.2	81%	0.812	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-1.8	174.6	-169.7	0	0	0	0	112.5	S199	S199-V201 PolarHBondContact O-N 3.21Å; S199-V201 VanDerWaalsContact O-N 3.12Å
202	S	38.2	Very low	39.8	Very low	87 Å²	87	123.3 Å²	123.3	61%	0.608	69%	0.686	S	S	*	*			trans	-137.3	78.8	176.2	74.2	0	0	0	0	113.2	S199	S199-S202 PolarHBondContact O-N 2.53Å
203	N	29	Very low	38.3	Very low	160 Å²	160	127.6 Å²	127.6	86%	0.856	69%	0.691	S	S	*	*			trans	-155.5	79.3	157.9	-100.1	-20.1	0	0	0	110.7
204	Q	31.3	Very low	37	Very low	193 Å²	193	130.3 Å²	130.3	90%	0.902	70%	0.703	S	S	*	*			trans	-129.9	125.8	144.3	-93	-166.9	-12	0	0	108.6
205	P	33.2	Very low	35.8	Very low	118 Å²	118	135.2 Å²	135.2	77%	0.766	73%	0.731	S	S	*	*			trans	-95.3	129	-176.5	34.4	-28.3	0	0	0	110.6
206	S	29.9	Very low	34.3	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	74%	0.744	S	S	*	*			trans	-168.9	115.5	145.7	-85.2	0	0	0	0	112.4
207	K	28.5	Very low	33	Very low	205 Å²	205	146.7 Å²	146.7	89%	0.891	77%	0.765	S	S	*	*			trans	64.3	91.2	144.3	-59.1	-174.8	-179.5	-179.6	0	118.8
208	G	26.9	Very low	32	Very low	79 Å²	79	147 Å²	147	81%	0.814	76%	0.761	S	S	*	*				65	83.4	118.7	0	0	0	0	0	117.8
209	F	28.7	Very low	30.9	Very low	183 Å²	183	149 Å²	149	80%	0.803	77%	0.773	S	S	*	*			trans	-133.9	116.6	150.3	-164.9	-113.3	0	0	0	109	I211	F209-I211 HydrophobicContact CD1-CD1 3.99Å; F209-I211 HydrophobicContact CD1-CG1 3.6Å; F209-I211 HydrophobicContact CE1-CD1 3.59Å; F209-I211 HydrophobicContact CE1-CG1 3.31Å; F209-I211 HydrophobicContact CZ-CG1 4.3Å
210	V	25	Very low	30	Very low	134 Å²	134	154.9 Å²	154.9	81%	0.812	78%	0.784	S	S	*	*			trans	-98	111.1	179.2	176.7	0	0	0	0	106.8
211	I	30.3	Very low	29.3	Very low	126 Å²	126	152.5 Å²	152.5	65%	0.646	79%	0.785	S	S	*	*			trans	-102.4	131.6	162.3	-57.2	-179.3	0	0	0	107.5	F209 R213	F209-I211 HydrophobicContact CD1-CD1 3.99Å; F209-I211 HydrophobicContact CD1-CG1 3.6Å; F209-I211 HydrophobicContact CE1-CD1 3.59Å; F209-I211 HydrophobicContact CE1-CG1 3.31Å; F209-I211 HydrophobicContact CZ-CG1 4.3Å; I211-R213 PolarHBondContact O-N 3.36Å
212	P	26.4	Very low	28.5	Very low	109 Å²	109	155.2 Å²	155.2	71%	0.708	79%	0.786	S	S	*	*			trans	-59.1	132.1	-176.6	-22.1	32.5	0	0	0	113.1	F214	P212-F214 PolarHBondContact O-N 3.11Å
213	R	23.7	Very low	27.8	Very low	237 Å²	237	159 Å²	159	89%	0.894	80%	0.8	S	S	*	*			trans	-66.9	109.3	167.4	-75.7	178.4	167.4	164.3	-3.1	109.2	I211 N215	I211-R213 PolarHBondContact O-N 3.36Å; R213-N215 PolarHBondContact O-N 2.79Å
214	F	26.2	Very low	27.6	Very low	213 Å²	213	159.7 Å²	159.7	93%	0.934	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-64.2	120.6	148	-98.7	-90.4	0	0	0	107.4	P212 R216	P212-F214 PolarHBondContact O-N 3.11Å; F214-R216 PolarHBondContact O-N 3.02Å
215	N	28.9	Very low	27.3	Very low	151 Å²	151	157.7 Å²	157.7	81%	0.807	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-58.6	137.1	175.3	-110.5	-2.2	0	0	0	109.9	R213	R213-N215 PolarHBondContact O-N 2.79Å
216	R	24.4	Very low	26.8	Very low	207 Å²	207	156.8 Å²	156.8	78%	0.781	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-46.9	132.3	165.3	-67.3	175.3	176.2	174.2	-2	110.8	F214	F214-R216 PolarHBondContact O-N 3.02Å
217	F	26	Very low	26.5	Very low	214 Å²	214	159.9 Å²	159.9	94%	0.939	80%	0.804	S	S	*	*			trans	-91	115.1	130.3	-95	-91	0	0	0	106.4	P219	F217-P219 WeakPolarHBondContact O-CD 3.39Å
218	D	30.8	Very low	26.2	Very low	81 Å²	81	156 Å²	156	43%	0.433	80%	0.797	S	S	.	*			trans	-86	116.3	176.2	-165.6	-20	0	0	0	107.8	R220	D218-R220 VanDerWaalsContact C-N 3.32Å; D218-R220 PolarHBondContact O-N 3.42Å; D218-R220 IonicContact OD1-NE 2.73Å; D218-R220 PolarHBondContact OD1-NE 2.93Å; D218-R220 IonicContact OD1-NH2 3.56Å; D218-R220 IonicContact OD2-NH2 4Å
219	P	28.1	Very low	26.1	Very low	122 Å²	122	160.6 Å²	160.6	79%	0.792	80%	0.8	S	S	*	*			trans	-92.4	67.2	174.5	34.9	-27.7	0	0	0	109.1	F217	F217-P219 WeakPolarHBondContact O-CD 3.39Å
220	R	26	Very low	25.8	Very low	190 Å²	190	158.8 Å²	158.8	72%	0.717	80%	0.798	S	S	*	*			trans	-145.8	47.7	170.3	-68.3	-175.4	-64	164	8.2	112.6	D218	D218-R220 VanDerWaalsContact C-N 3.32Å; D218-R220 PolarHBondContact O-N 3.42Å; D218-R220 IonicContact OD1-NE 2.73Å; D218-R220 PolarHBondContact OD1-NE 2.93Å; D218-R220 IonicContact OD1-NH2 3.56Å; D218-R220 IonicContact OD2-NH2 4Å
221	D	28.2	Very low	25.8	Very low	147 Å²	147	160.5 Å²	160.5	79%	0.786	80%	0.795	S	S	*	*	S	Bend	trans	-111.3	97.8	141.4	-65.9	-34.5	0	0	0	102.6
222	F	28.7	Very low	25.5	Very low	192 Å²	192	161.6 Å²	161.6	84%	0.842	80%	0.797	S	S	*	*				-167.5	115.3	70	-95.9	-99.9	0	0	0	106.6
223	N	23.1	Very low	25.5	Very low	166 Å²	166	163.5 Å²	163.5	89%	0.888	80%	0.801	S	S	*	*			trans	-125.2	84.1	161.9	-151.1	27.6	0	0	0	106
224	E	24.7	Very low	25.5	Very low	174 Å²	174	156 Å²	156	81%	0.813	80%	0.797	S	S	*	*			trans	-173	96.2	158	-111.1	174.7	-163.1	0	0	107.8
225	T	24.9	Very low	25.5	Very low	152 Å²	152	156.6 Å²	156.6	93%	0.933	79%	0.793	S	S	*	*			trans	-174.5	96.1	141.4	43.4	0	0	0	0	109
226	A	22.7	Very low	25.3	Very low	98 Å²	98	155.7 Å²	155.7	81%	0.81	79%	0.789	S	S	*	*			trans	-126.3	96.6	149.2	0	0	0	0	0	105.8
227	E	23.5	Very low	25.4	Very low	178 Å²	178	152 Å²	152	83%	0.832	79%	0.789	S	S	*	*			trans	172.1	129.5	136	-96.6	178.9	-172	0	0	112.1
228	T	23.3	Very low	25.3	Very low	123 Å²	123	147 Å²	147	76%	0.755	78%	0.779	S	S	*	*			trans	68.6	104.2	154.6	64.8	0	0	0	0	118.2
229	M	24.1	Very low	24.9	Very low	176 Å²	176	153.2 Å²	153.2	87%	0.867	80%	0.798	S	S	*	*				173.7	129.8	91.1	-88.8	-172.6	63.4	0	0	109.7
230	D	22	Very low	24.7	Very low	145 Å²	145	154.3 Å²	154.3	78%	0.775	80%	0.797	S	S	*	*			trans	-48.3	140.9	159.1	-59.9	-64.9	0	0	0	111.5
231	K	25.1	Very low	24.6	Very low	170 Å²	170	156 Å²	156	74%	0.739	80%	0.804	S	S	*	*				150	132.9	117.3	-83.8	-175.9	178.9	-177.2	0	112.2
232	E	23.8	Very low	24.5	Very low	149 Å²	149	152.6 Å²	152.6	70%	0.696	80%	0.803	S	S	*	*			trans	60.9	96	137.6	-64.2	173.2	-168.9	0	0	116.9
233	N	27.7	Very low	24.4	Very low	149 Å²	149	151.1 Å²	151.1	80%	0.797	80%	0.803	S	S	*	*				176.9	107.8	88.5	-90.5	-44.2	0	0	0	109.7
234	G	23.5	Very low	24.6	Very low	78 Å²	78	150 Å²	150	80%	0.804	80%	0.802	S	S	*	*			trans	-68.1	124.5	159.2	0	0	0	0	0	110.1
235	R	26.1	Very low	24.7	Very low	227 Å²	227	147.4 Å²	147.4	86%	0.857	80%	0.798	S	S	*	*			trans	-156.5	143.6	147.9	-71.5	-169.7	-173	166.6	1.4	104.7
236	D	24.3	Very low	24.5	Very low	132 Å²	132	149.1 Å²	149.1	71%	0.706	80%	0.796	S	S	*	*			cis	-168.7	162.5	-16	-106.4	-38.6	0	0	0	102.2
237	T	26.7	Very low	24.9	Very low	129 Å²	129	150.8 Å²	150.8	79%	0.791	80%	0.795	S	S	*	*			trans	77.5	103.2	168.6	73.2	0	0	0	0	116.1
238	C	23.3	Very low	25	Very low	108 Å²	108	149.4 Å²	149.4	73%	0.73	79%	0.794	S	S	*	*				84	119.3	59.3	-71.8	0	0	0	0	114.5
239	Y	23.7	Very low	25	Very low	213 Å²	213	153.7 Å²	153.7	84%	0.835	80%	0.802	S	S	*	*			trans	78.5	91.6	158.2	-62.8	-70.6	0	0	0	120.2
240	D	23.9	Very low	24.9	Very low	144 Å²	144	148.7 Å²	148.7	77%	0.77	80%	0.796	S	S	*	*				45.7	128.5	104.6	-158.4	19.7	0	0	0	119.8
241	R	23.7	Very low	25.2	Very low	227 Å²	227	146.7 Å²	146.7	86%	0.857	80%	0.799	S	S	*	*			trans	89.5	81.8	151.9	-140.2	174.8	-160.1	166.6	4.8	119.7
242	G	26.6	Very low	25.2	Very low	74 Å²	74	145.6 Å²	145.6	76%	0.763	81%	0.807	S	S	*	*			trans	-121.9	113.1	143.4	0	0	0	0	0	106.9
243	L	26.4	Very low	25.4	Very low	161 Å²	161	147.9 Å²	147.9	84%	0.843	82%	0.817	S	S	*	*				52.9	102.2	66.9	-123.1	151.6	0	0	0	111.7	T245	L243-T245 PolarHBondContact O-N 3.41Å
244	V	27	Very low	25.3	Very low	143 Å²	143	149.4 Å²	149.4	87%	0.867	82%	0.819	S	S	*	*			trans	-69.4	113.6	-173.2	-171.6	0	0	0	0	108
245	T	26.4	Very low	25.3	Very low	120 Å²	120	154.4 Å²	154.4	74%	0.736	82%	0.824	S	S	*	*			trans	-84	127.3	170.7	40.9	0	0	0	0	110.1	L243	L243-T245 PolarHBondContact O-N 3.41Å
246	E	21.8	Very low	25.3	Very low	188 Å²	188	150.6 Å²	150.6	88%	0.879	82%	0.82	S	S	*	*			trans	-45.5	143.6	157.7	-64.8	172.2	142.4	0	0	111.7
247	V	30.7	Very low	25.4	Very low	133 Å²	133	151 Å²	151	81%	0.806	82%	0.822	S	S	*	*			trans	-135.6	93.3	163.1	-168	0	0	0	0	108.7
248	D	25.4	Very low	25.2	Very low	149 Å²	149	150.7 Å²	150.7	80%	0.797	82%	0.82	S	S	*	*			trans	36.3	123.3	136.7	-142.9	3.1	0	0	0	121.2
249	F	22.7	Very low	25.5	Very low	213 Å²	213	151.4 Å²	151.4	93%	0.934	82%	0.823	S	S	*	*			trans	-100.7	113.3	167.6	-84.3	-94.7	0	0	0	108.7
250	G	23.1	Very low	25.5	Very low	71 Å²	71	149.2 Å²	149.2	73%	0.732	83%	0.825	S	S	*	*			trans	-158.7	138.6	175.3	0	0	0	0	0	114.4
251	A	27.5	Very low	26.1	Very low	102 Å²	102	147.7 Å²	147.7	84%	0.843	82%	0.824	S	S	*	*			trans	88.5	88.6	164.5	0	0	0	0	0	118.4
252	V	24.2	Very low	26.4	Very low	148 Å²	148	148.4 Å²	148.4	90%	0.897	83%	0.826	S	S	*	*			trans	-52.9	129	141.4	-129.6	0	0	0	0	109.5
253	E	28.6	Very low	26.2	Very low	197 Å²	197	153.2 Å²	153.2	92%	0.921	83%	0.829	S	S	*	*			trans	-125.2	121.6	158.5	-138.6	-178.3	-161.2	0	0	108.7
254	E	26.9	Very low	26.2	Very low	180 Å²	180	152.2 Å²	152.2	84%	0.841	82%	0.824	S	S	*	*			trans	-75.8	141.9	-171.2	-130.9	175.6	175.1	0	0	111.4
255	M	23.5	Very low	26.1	Very low	183 Å²	183	153.8 Å²	153.8	90%	0.901	82%	0.822	S	S	*	*			trans	-72	129.3	169.3	-76.1	171.8	47.5	0	0	111
256	L	25.4	Very low	26.8	Very low	147 Å²	147	152.5 Å²	152.5	77%	0.77	82%	0.816	S	S	*	*			trans	-146.4	141.9	156	-109.9	138.9	0	0	0	112.4
257	D	26.2	Very low	27.1	Very low	141 Å²	141	150.4 Å²	150.4	75%	0.754	81%	0.811	S	S	*	*			trans	95.4	120.7	158.9	-75.5	-19.2	0	0	0	123.4
258	T	23	Very low	27.1	Very low	122 Å²	122	149.7 Å²	149.7	75%	0.748	81%	0.807	S	S	*	*			trans	-62.1	148.8	174.2	-43.2	0	0	0	0	113.4
259	P	28.8	Very low	27.1	Very low	123 Å²	123	148.8 Å²	148.8	80%	0.799	81%	0.807	S	S	*	*			trans	-120.3	134	153	12.6	8.6	0	0	0	114
260	L	23.8	Very low	27.6	Very low	167 Å²	167	144.9 Å²	144.9	87%	0.874	80%	0.803	S	S	*	*			trans	-74.1	171.2	172.9	-81.6	165.9	0	0	0	113.6
261	P	37.1	Very low	27.7	Very low	113 Å²	113	145.9 Å²	145.9	73%	0.734	80%	0.804	S	S	*	*			trans	-100.5	160.8	-156	38.7	-33.9	0	0	0	115.7
262	R	28.4	Very low	28.4	Very low	241 Å²	241	146.8 Å²	146.8	91%	0.909	80%	0.802	S	S	*	*			trans	-142.1	110.7	162.7	-69.8	-177.1	176.6	168.4	-0.5	107.9
263	Q	24	Very low	28.9	Very low	176 Å²	176	145.5 Å²	145.5	82%	0.822	80%	0.799	S	S	*	*				64.3	109.6	81.5	-74.5	-166.5	2.1	0	0	116.3
264	N	25.1	Very low	28.8	Very low	140 Å²	140	144.1 Å²	144.1	75%	0.749	79%	0.793	S	S	*	*			trans	67.1	119.3	139.1	-65.6	-3.6	0	0	0	122.2
265	E	25.4	Very low	28.8	Very low	176 Å²	176	142.2 Å²	142.2	82%	0.822	79%	0.788	S	S	*	*				51.4	167.7	128	-70.8	-113.5	149	0	0	120.7
266	P	42.1	Very low	29.3	Very low	93 Å²	93	141.7 Å²	141.7	60%	0.604	79%	0.787	S	S	*	*			cis	-122.3	-174.6	-43.2	30.7	-11.6	0	0	0	109.3
267	D	28	Very low	29.6	Very low	143 Å²	143	139.4 Å²	139.4	77%	0.765	78%	0.783	S	S	*	*				162.6	138.4	113.5	-118.6	-19.9	0	0	0	114.7
268	T	29.7	Very low	29.6	Very low	118 Å²	118	141.6 Å²	141.6	72%	0.724	79%	0.789	S	S	*	*			trans	74.5	109.6	152	8.1	0	0	0	0	122.6
269	T	25.5	Very low	30.3	Very low	130 Å²	130	140.8 Å²	140.8	80%	0.798	79%	0.786	S	S	*	*			trans	-59.7	157.1	146.9	38.7	0	0	0	0	113.2
270	P	32.5	Very low	30.4	Very low	132 Å²	132	141.2 Å²	141.2	86%	0.857	79%	0.79	S	S	*	*				-135.2	157.9	119.4	31.9	-17	0	0	0	113.9
271	A	25.3	Very low	30.9	Very low	91 Å²	91	142.1 Å²	142.1	75%	0.752	79%	0.79	S	S	*	*			trans	-92.7	-146.4	-168.2	0	0	0	0	0	113.5
272	P	42.3	Very low	30.6	Very low	122 Å²	122	145 Å²	145	79%	0.792	80%	0.8	S	S	*	*				-115.5	162.3	-96.9	35.4	-19.4	0	0	0	113.5
273	S	35.4	Very low	31.2	Very low	121 Å²	121	136.8 Å²	136.8	85%	0.846	79%	0.79	S	S	*	*			trans	-140	125.7	159.3	59.3	0	0	0	0	110.7
274	E	27.3	Very low	31.9	Very low	167 Å²	167	135 Å²	135	78%	0.78	79%	0.785	S	S	*	*			trans	-76.3	158.3	-170.1	-58.9	170.6	140.3	0	0	114
275	N	25.1	Very low	32.8	Very low	140 Å²	140	134.4 Å²	134.4	75%	0.749	79%	0.787	S	S	*	*			trans	61.3	113.9	146.5	-62.7	-23.9	0	0	0	119.3
276	I	34.8	Very low	34	Very low	172 Å²	172	131.8 Å²	131.8	88%	0.882	78%	0.783	S	S	*	*				-153.7	140.9	110.3	-88.3	142.4	0	0	0	109.1
277	S	31.2	Very low	34.5	Very low	99 Å²	99	132.8 Å²	132.8	69%	0.692	78%	0.783	S	S	*	*			trans	-75.7	139.9	-169.7	47.6	0	0	0	0	116.1
278	E	26.4	Very low	35.7	Very low	187 Å²	187	132 Å²	132	87%	0.874	78%	0.778	S	S	*	*			trans	75.8	161.5	133.3	-107.1	-178.7	-148.2	0	0	120.7
279	P	38.7	Very low	37.2	Very low	106 Å²	106	131 Å²	131	69%	0.688	77%	0.772	S	S	*	*				-120.9	147.3	-93.8	37.9	-23.7	0	0	0	113.4
280	C	31.4	Very low	39.2	Very low	131 Å²	131	126.7 Å²	126.7	89%	0.885	75%	0.753	S	S	*	*			trans	-144	109.1	158.4	-82.9	0	0	0	0	110.2
281	E	32.6	Very low	41.3	Very low	187 Å²	187	125.7 Å²	125.7	87%	0.874	74%	0.738	S	S	*	*			trans	44.8	103.6	145.4	-63.7	-162.7	145.5	0	0	119.6
282	D	32	Very low	43.7	Very low	173 Å²	173	123.4 Å²	123.4	93%	0.925	72%	0.723	S	S	*	*			trans	-8.6	126.2	131.7	-65.2	-41.2	0	0	0	115.4
283	G	40.1	Very low	45.7	Very low	68 Å²	68	125.8 Å²	125.8	70%	0.701	72%	0.716	S	S	*	*			trans	166.2	-14.4	156.5	0	0	0	0	0	120.8
284	L	38.9	Very low	47.9	Very low	140 Å²	140	126 Å²	126	73%	0.733	70%	0.704	S	S	*	*			trans	-135.2	20.7	-169.2	-74.2	169.6	0	0	0	116.4	V286	L284-V286 PolarHBondContact O-N 3.3Å
285	T	43.3	Very low	50.7	Low	127 Å²	127	121.7 Å²	121.7	78%	0.779	69%	0.689	S	S	*	*	S	Bend	trans	-85.9	2.5	-178.9	44.6	0	0	0	0	115.3
286	V	52.1	Low	53.5	Low	121 Å²	121	121.4 Å²	121.4	73%	0.733	68%	0.683	S	S	*	*	S	Bend	trans	-88.4	-25.2	178.9	-174.7	0	0	0	0	112.7	L284	L284-V286 PolarHBondContact O-N 3.3Å
287	D	52.9	Low	56.1	Low	114 Å²	114	118.4 Å²	118.4	61%	0.61	67%	0.669	S	S	*	*	S	Bend	trans	-83.1	-24.2	-176.3	-76	-19.1	0	0	0	114.9	T289 G290 M291	D287-T289 VanDerWaalsContact C-N 3.32Å; D287-T289 PolarHBondContact O-N 2.88Å; D287-G290 PolarHBondContact O-N 3.37Å; D287-M291 PolarHBondContact O-N 2.74Å
288	L	51.5	Low	59	Low	127 Å²	127	117.8 Å²	117.8	67%	0.665	66%	0.657	S	S	*	*	H	α-helix	trans	-66.4	-30.6	-178.1	-98.1	95	0	0	0	113.8	G292	L288-G292 PolarHBondContact O-N 2.66Å
289	T	61.5	Low	62.1	Low	97 Å²	97	113.7 Å²	113.7	60%	0.595	64%	0.64	S	S	*	*	H	α-helix	trans	-78.4	-24.5	179.7	67.6	0	0	0	0	112.9	D287	D287-T289 VanDerWaalsContact C-N 3.32Å; D287-T289 PolarHBondContact O-N 2.88Å
290	G	68.9	Low	64.6	Low	38 Å²	38	114.9 Å²	114.9	39%	0.392	63%	0.634	S	S	.	*	H	α-helix	trans	-74.3	-44	169.7	0	0	0	0	0	111.5	D287 G292 R293 E294	D287-G290 PolarHBondContact O-N 3.37Å; G290-G292 VanDerWaalsContact C-N 3.31Å; G290-G292 PolarHBondContact O-N 3.18Å; G290-R293 PolarHBondContact O-N 3.05Å; G290-E294 PolarHBondContact O-N 2.86Å
291	M	76	Confident	67.5	Low	112 Å²	112	113.7 Å²	113.7	55%	0.552	62%	0.616	S	S	*	*	H	α-helix	trans	-55.7	-41.8	175.8	-106.7	171.9	66.7	0	0	112.9	D287 R293 E294 V295	D287-M291 PolarHBondContact O-N 2.74Å; M291-R293 VanDerWaalsContact C-N 3.34Å; M291-R293 PolarHBondContact O-N 3.33Å; M291-E294 PolarHBondContact O-N 2.77Å; M291-V295 VanDerWaalsContact O-CG2 3.29Å; M291-V295 WeakPolarHBondContact O-CG2 3.45Å; M291-V295 PolarHBondContact O-N 2.89Å
292	G	76.1	Confident	70.4	Confident	42 Å²	42	109.8 Å²	109.8	43%	0.433	60%	0.601	S	S	.	*	H	α-helix	trans	-60.1	-41.5	178.5	0	0	0	0	0	113.4	L288 G290 V295 E296	L288-G292 PolarHBondContact O-N 2.66Å; G290-G292 VanDerWaalsContact C-N 3.31Å; G290-G292 PolarHBondContact O-N 3.18Å; G292-V295 PolarHBondContact O-N 3.28Å; G292-E296 WeakPolarHBondContact O-CB 3.41Å; G292-E296 PolarHBondContact O-N 3.48Å
293	R	82.5	Confident	73.3	Confident	173 Å²	173	104.3 Å²	104.3	65%	0.653	58%	0.577	S	S	*	*	H	α-helix	trans	-69.2	-37.9	175.8	-89.1	-174.3	-95.1	-164.5	-7.8	112.5	G290 M291 E296 N297	G290-R293 PolarHBondContact O-N 3.05Å; M291-R293 VanDerWaalsContact C-N 3.34Å; M291-R293 PolarHBondContact O-N 3.33Å; R293-E296 PolarHBondContact O-N 2.85Å; R293-N297 WeakPolarHBondContact O-CB 3.5Å; R293-N297 VanDerWaalsContact O-CG 3.24Å; R293-N297 PolarHBondContact O-N 2.88Å; R293-N297 PolarHBondContact O-ND2 2.86Å
294	E	83.3	Confident	75.8	Confident	124 Å²	124	105.9 Å²	105.9	58%	0.579	57%	0.566	S	S	*	*	H	α-helix	trans	-65.3	-41.9	175.8	-168.9	171	-163.4	0	0	111.4	G290 M291 N297 L298	G290-E294 PolarHBondContact O-N 2.86Å; M291-E294 PolarHBondContact O-N 2.77Å; E294-N297 PolarHBondContact O-N 2.95Å; E294-L298 VanDerWaalsContact O-CG 3.31Å; E294-L298 WeakPolarHBondContact O-CG 3.36Å; E294-L298 PolarHBondContact O-N 3.44Å
295	V	86.4	Confident	78.5	Confident	78 Å²	78	103.6 Å²	103.6	47%	0.473	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-42.5	173.5	171.5	0	0	0	0	111.6	M291 G292 L298 I299	M291-V295 VanDerWaalsContact O-CG2 3.29Å; M291-V295 WeakPolarHBondContact O-CG2 3.45Å; M291-V295 PolarHBondContact O-N 2.89Å; G292-V295 PolarHBondContact O-N 3.28Å; V295-L298 PolarHBondContact O-N 2.84Å; V295-I299 HydrophobicContact CG1-CD1 3.96Å; V295-I299 VanDerWaalsContact O-CG1 3.29Å; V295-I299 WeakPolarHBondContact O-CG1 3.15Å; V295-I299 PolarHBondContact O-N 3.2Å
296	E	83.8	Confident	80.9	Confident	134 Å²	134	102.1 Å²	102.1	63%	0.626	54%	0.541	S	S	*	.	H	α-helix	trans	-63.2	-41.8	176.3	-171.1	174.8	-168.1	0	0	112	G292 R293 I299 K300	G292-E296 WeakPolarHBondContact O-CB 3.41Å; G292-E296 PolarHBondContact O-N 3.48Å; R293-E296 PolarHBondContact O-N 2.85Å; E296-I299 PolarHBondContact O-N 3.16Å; E296-K300 PolarHBondContact O-N 2.76Å
297	N	87.8	Confident	82.8	Confident	108 Å²	108	102.9 Å²	102.9	58%	0.578	54%	0.536	S	S	*	.	H	α-helix	trans	-61.6	-43.1	173.4	-72.4	-18.2	0	0	0	111.8	R293 E294 I299 K300 E301	R293-N297 WeakPolarHBondContact O-CB 3.5Å; R293-N297 VanDerWaalsContact O-CG 3.24Å; R293-N297 PolarHBondContact O-N 2.88Å; R293-N297 PolarHBondContact O-ND2 2.86Å; E294-N297 PolarHBondContact O-N 2.95Å; N297-I299 VanDerWaalsContact C-N 3.32Å; N297-I299 PolarHBondContact O-N 3.41Å; N297-K300 PolarHBondContact O-N 2.79Å; N297-E301 WeakPolarHBondContact O-CB 3.21Å; N297-E301 PolarHBondContact O-N 2.72Å
298	L	92.9	Very high	84.7	Confident	86 Å²	86	101.5 Å²	101.5	45%	0.45	53%	0.532	S	S	.	.	H	α-helix	trans	-65.5	-32.7	176.6	-72.5	170.9	0	0	0	112.9	E294 V295 N302	E294-L298 VanDerWaalsContact O-CG 3.31Å; E294-L298 WeakPolarHBondContact O-CG 3.36Å; E294-L298 PolarHBondContact O-N 3.44Å; V295-L298 PolarHBondContact O-N 2.84Å; L298-N302 VanDerWaalsContact O-CB 3.3Å; L298-N302 WeakPolarHBondContact O-CB 3.39Å; L298-N302 PolarHBondContact O-N 2.76Å; L298-N302 PolarHBondContact O-ND2 3.4Å
299	I	91.1	Very high	86.7	Confident	101 Å²	101	101.4 Å²	101.4	52%	0.518	53%	0.526	S	S	.	.	H	α-helix	trans	-68.8	-43.2	173.9	-70.6	165.5	0	0	0	110.4	V295 E296 N297 N302 S303	V295-I299 HydrophobicContact CG1-CD1 3.96Å; V295-I299 VanDerWaalsContact O-CG1 3.29Å; V295-I299 WeakPolarHBondContact O-CG1 3.15Å; V295-I299 PolarHBondContact O-N 3.2Å; E296-I299 PolarHBondContact O-N 3.16Å; N297-I299 VanDerWaalsContact C-N 3.32Å; N297-I299 PolarHBondContact O-N 3.41Å; I299-N302 PolarHBondContact O-N 3.29Å; I299-S303 WeakPolarHBondContact O-CB 3.26Å; I299-S303 PolarHBondContact O-N 3.19Å; I299-S303 PolarHBondContact O-OG 2.86Å
300	K	91.3	Very high	88.2	Confident	131 Å²	131	100.9 Å²	100.9	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-61.8	-48.6	176.1	-173	-175.7	174.3	-166.8	0	111	E296 N297 N302 S303 E304	E296-K300 PolarHBondContact O-N 2.76Å; N297-K300 PolarHBondContact O-N 2.79Å; K300-N302 PolarHBondContact O-N 2.93Å; K300-S303 WeakPolarHBondContact O-CB 3.24Å; K300-S303 PolarHBondContact O-N 2.82Å; K300-S303 VanDerWaalsContact O-N 3.12Å; K300-E304 VanDerWaalsContact CE-OE1 3.22Å; K300-E304 WeakPolarHBondContact CE-OE1 3.27Å; K300-E304 IonicContact NZ-OE1 3.65Å; K300-E304 PolarHBondContact O-N 3.01Å
301	E	92.2	Very high	89.3	Confident	107 Å²	107	101.9 Å²	101.9	50%	0.5	52%	0.524	S	S	.	.	H	α-helix	trans	-60.8	-42.9	176.6	-171.6	-179.3	174.2	0	0	111.7	N297 S303 E304 L305	N297-E301 WeakPolarHBondContact O-CB 3.21Å; N297-E301 PolarHBondContact O-N 2.72Å; E301-S303 VanDerWaalsContact C-N 3.28Å; E301-S303 PolarHBondContact O-N 2.8Å; E301-E304 PolarHBondContact O-N 2.83Å; E301-L305 HydrophobicContact CG-CD1 4.24Å; E301-L305 WeakPolarHBondContact O-CB 3.32Å; E301-L305 VanDerWaalsContact O-CG 3.28Å; E301-L305 WeakPolarHBondContact O-CG 3.45Å; E301-L305 PolarHBondContact O-N 3.12Å
302	N	93.2	Very high	90.2	Very high	104 Å²	104	102.3 Å²	102.3	56%	0.556	53%	0.528	S	S	*	.	H	α-helix	trans	-63.8	-32.3	174.8	-97.4	-49.6	0	0	0	113.4	L298 I299 K300 L305 L306	L298-N302 VanDerWaalsContact O-CB 3.3Å; L298-N302 WeakPolarHBondContact O-CB 3.39Å; L298-N302 PolarHBondContact O-N 2.76Å; L298-N302 PolarHBondContact O-ND2 3.4Å; I299-N302 PolarHBondContact O-N 3.29Å; K300-N302 PolarHBondContact O-N 2.93Å; N302-L305 PolarHBondContact O-N 3.01Å; N302-L306 WeakPolarHBondContact O-CB 3.49Å; N302-L306 PolarHBondContact O-N 3.41Å
303	S	92.5	Very high	91	Very high	59 Å²	59	102.9 Å²	102.9	41%	0.413	52%	0.521	S	S	.	.	H	α-helix	trans	-68.7	-44.9	176.6	-57.1	0	0	0	0	110.5	I299 K300 E301 L305 L306 E307	I299-S303 WeakPolarHBondContact O-CB 3.26Å; I299-S303 PolarHBondContact O-N 3.19Å; I299-S303 PolarHBondContact O-OG 2.86Å; K300-S303 WeakPolarHBondContact O-CB 3.24Å; K300-S303 PolarHBondContact O-N 2.82Å; K300-S303 VanDerWaalsContact O-N 3.12Å; E301-S303 VanDerWaalsContact C-N 3.28Å; E301-S303 PolarHBondContact O-N 2.8Å; S303-L305 VanDerWaalsContact C-N 3.34Å; S303-L305 PolarHBondContact O-N 2.95Å; S303-L306 WeakPolarHBondContact O-CB 3.23Å; S303-L306 PolarHBondContact O-N 3.5Å; S303-E307 PolarHBondContact O-N 2.97Å
304	E	93.5	Very high	91.5	Very high	101 Å²	101	98.8 Å²	98.8	47%	0.472	52%	0.515	S	S	.	.	H	α-helix	trans	-62.9	-39.1	173.2	-66.7	174.6	-170.1	0	0	111.6	K300 E301 L306 E307 T308	K300-E304 VanDerWaalsContact CE-OE1 3.22Å; K300-E304 WeakPolarHBondContact CE-OE1 3.27Å; K300-E304 IonicContact NZ-OE1 3.65Å; K300-E304 PolarHBondContact O-N 3.01Å; E301-E304 PolarHBondContact O-N 2.83Å; E304-L306 VanDerWaalsContact C-N 3.34Å; E304-L306 PolarHBondContact O-N 3.09Å; E304-E307 PolarHBondContact O-N 3.37Å; E304-T308 WeakPolarHBondContact O-CG2 3.38Å; E304-T308 PolarHBondContact O-N 2.94Å; E304-T308 PolarHBondContact O-OG1 3.33Å; E304-T308 VanDerWaalsContact O-OG1 3.13Å
305	L	95.4	Very high	92.1	Very high	92 Å²	92	96.7 Å²	96.7	48%	0.482	51%	0.511	S	S	.	.	H	α-helix	trans	-65.7	-33.7	173.8	-73.5	173.3	0	0	0	112.8	E301 N302 S303 T308 K309	E301-L305 HydrophobicContact CG-CD1 4.24Å; E301-L305 WeakPolarHBondContact O-CB 3.32Å; E301-L305 VanDerWaalsContact O-CG 3.28Å; E301-L305 WeakPolarHBondContact O-CG 3.45Å; E301-L305 PolarHBondContact O-N 3.12Å; N302-L305 PolarHBondContact O-N 3.01Å; S303-L305 VanDerWaalsContact C-N 3.34Å; S303-L305 PolarHBondContact O-N 2.95Å; L305-T308 VanDerWaalsContact CA-OG1 3.3Å; L305-T308 WeakPolarHBondContact CA-OG1 3.33Å; L305-T308 PolarHBondContact O-OG1 2.79Å; L305-K309 VanDerWaalsContact O-CB 3.28Å; L305-K309 WeakPolarHBondContact O-CB 3.48Å; L305-K309 PolarHBondContact O-N 2.89Å
306	L	94.2	Very high	92.5	Very high	96 Å²	96	97.8 Å²	97.8	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-69.6	-40.7	175.6	-176.1	63.1	0	0	0	111.5	N302 S303 E304 K309 N310	N302-L306 WeakPolarHBondContact O-CB 3.49Å; N302-L306 PolarHBondContact O-N 3.41Å; S303-L306 WeakPolarHBondContact O-CB 3.23Å; S303-L306 PolarHBondContact O-N 3.5Å; E304-L306 VanDerWaalsContact C-N 3.34Å; E304-L306 PolarHBondContact O-N 3.09Å; L306-K309 PolarHBondContact O-N 2.86Å; L306-N310 VanDerWaalsContact O-CG 3.28Å; L306-N310 PolarHBondContact O-N 3.11Å; L306-N310 PolarHBondContact O-ND2 2.99Å
307	E	91.9	Very high	92.9	Very high	137 Å²	137	95.7 Å²	95.7	64%	0.64	50%	0.502	S	S	*	.	H	α-helix	trans	-62.6	-47.4	174.3	-72.2	178.9	-173.7	0	0	111.7	S303 E304 K309 N310 A311	S303-E307 PolarHBondContact O-N 2.97Å; E304-E307 PolarHBondContact O-N 3.37Å; E307-K309 PolarHBondContact O-N 2.84Å; E307-N310 PolarHBondContact O-N 3.31Å; E307-N310 VanDerWaalsContact O-N 3.12Å; E307-A311 PolarHBondContact O-N 2.94Å
308	T	93.1	Very high	93.1	Very high	84 Å²	84	94.8 Å²	94.8	52%	0.515	50%	0.497	S	S	.	.	H	α-helix	trans	-63.6	-38.6	177	53.3	0	0	0	0	112.3	E304 L305 N310 A311 L312	E304-T308 WeakPolarHBondContact O-CG2 3.38Å; E304-T308 PolarHBondContact O-N 2.94Å; E304-T308 PolarHBondContact O-OG1 3.33Å; E304-T308 VanDerWaalsContact O-OG1 3.13Å; L305-T308 VanDerWaalsContact CA-OG1 3.3Å; L305-T308 WeakPolarHBondContact CA-OG1 3.33Å; L305-T308 PolarHBondContact O-OG1 2.79Å; T308-N310 VanDerWaalsContact C-N 3.33Å; T308-N310 PolarHBondContact O-N 2.81Å; T308-A311 PolarHBondContact O-N 3.06Å; T308-L312 WeakPolarHBondContact O-CB 3.35Å; T308-L312 PolarHBondContact O-N 2.98Å
309	K	93.3	Very high	93	Very high	125 Å²	125	96 Å²	96	54%	0.543	50%	0.504	S	S	.	.	H	α-helix	trans	-59.7	-41.9	171.4	172.9	-176.3	166.5	177.7	0	111.9	L305 L306 E307 L312 N313	L305-K309 VanDerWaalsContact O-CB 3.28Å; L305-K309 WeakPolarHBondContact O-CB 3.48Å; L305-K309 PolarHBondContact O-N 2.89Å; L306-K309 PolarHBondContact O-N 2.86Å; E307-K309 PolarHBondContact O-N 2.84Å; K309-L312 PolarHBondContact O-N 3.31Å; K309-N313 WeakPolarHBondContact O-CB 3.37Å; K309-N313 PolarHBondContact O-N 3.3Å; K309-N313 PolarHBondContact O-ND2 2.84Å
310	N	91.9	Very high	93.1	Very high	86 Å²	86	94.9 Å²	94.9	46%	0.46	50%	0.498	S	S	.	.	H	α-helix	trans	-67.4	-44.1	178.7	-72.5	-18.8	0	0	0	111.4	L306 E307 T308 L312 N313 V314	L306-N310 VanDerWaalsContact O-CG 3.28Å; L306-N310 PolarHBondContact O-N 3.11Å; L306-N310 PolarHBondContact O-ND2 2.99Å; E307-N310 PolarHBondContact O-N 3.31Å; E307-N310 VanDerWaalsContact O-N 3.12Å; T308-N310 VanDerWaalsContact C-N 3.33Å; T308-N310 PolarHBondContact O-N 2.81Å; N310-L312 VanDerWaalsContact C-N 3.34Å; N310-L312 PolarHBondContact O-N 2.81Å; N310-N313 WeakPolarHBondContact O-CB 3.4Å; N310-N313 PolarHBondContact O-N 3.06Å; N310-V314 PolarHBondContact O-N 3.2Å; N310-V314 VanDerWaalsContact O-N 3.09Å
311	A	92.9	Very high	93.1	Very high	59 Å²	59	91.6 Å²	91.6	49%	0.488	50%	0.495	S	S	.	.	H	α-helix	trans	-59.6	-43.7	174	0	0	0	0	0	111.9	E307 T308 N313 V314 V315	E307-A311 PolarHBondContact O-N 2.94Å; T308-A311 PolarHBondContact O-N 3.06Å; A311-N313 VanDerWaalsContact C-N 3.31Å; A311-N313 PolarHBondContact O-N 3.47Å; A311-V314 PolarHBondContact O-N 3.39Å; A311-V315 PolarHBondContact O-N 3.46Å; A311-V315 VanDerWaalsContact O-N 3.16Å
312	L	94.8	Very high	93	Very high	121 Å²	121	92.7 Å²	92.7	63%	0.634	50%	0.5	S	S	*	.	H	α-helix	trans	-64.2	-36	176.5	-171.8	66.6	0	0	0	112.1	T308 K309 N310 V315 K316	T308-L312 WeakPolarHBondContact O-CB 3.35Å; T308-L312 PolarHBondContact O-N 2.98Å; K309-L312 PolarHBondContact O-N 3.31Å; N310-L312 VanDerWaalsContact C-N 3.34Å; N310-L312 PolarHBondContact O-N 2.81Å; L312-V315 PolarHBondContact O-N 3.1Å; L312-K316 VanDerWaalsContact O-CB 3.25Å; L312-K316 WeakPolarHBondContact O-CB 3.13Å; L312-K316 PolarHBondContact O-N 2.85Å
313	N	92.7	Very high	93.1	Very high	54 Å²	54	92.7 Å²	92.7	29%	0.289	50%	0.5	S	S	.	.	H	α-helix	trans	-66	-36.6	175.4	-87.2	-36.9	0	0	0	112.8	K309 N310 A311 K316 N317	K309-N313 WeakPolarHBondContact O-CB 3.37Å; K309-N313 PolarHBondContact O-N 3.3Å; K309-N313 PolarHBondContact O-ND2 2.84Å; N310-N313 WeakPolarHBondContact O-CB 3.4Å; N310-N313 PolarHBondContact O-N 3.06Å; A311-N313 VanDerWaalsContact C-N 3.31Å; A311-N313 PolarHBondContact O-N 3.47Å; N313-K316 PolarHBondContact OD1-NZ 3.16Å; N313-N317 WeakPolarHBondContact O-CB 3.46Å; N313-N317 PolarHBondContact O-N 2.97Å; N313-N317 PolarHBondContact O-ND2 2.77Å; N313-N317 PolarHBondContact O-OD1 3.33Å
314	V	93.9	Very high	92.9	Very high	87 Å²	87	94.6 Å²	94.6	53%	0.527	51%	0.506	S	S	.	.	H	α-helix	trans	-61.4	-52.7	173.1	175.4	0	0	0	0	109.7	N310 A311 K316 N317 D318	N310-V314 PolarHBondContact O-N 3.2Å; N310-V314 VanDerWaalsContact O-N 3.09Å; A311-V314 PolarHBondContact O-N 3.39Å; V314-K316 VanDerWaalsContact C-N 3.31Å; V314-K316 PolarHBondContact O-N 2.83Å; V314-N317 PolarHBondContact O-N 3.23Å; V314-N317 VanDerWaalsContact O-N 3.1Å; V314-D318 PolarHBondContact O-N 3.29Å
315	V	95	Very high	92.7	Very high	81 Å²	81	91.5 Å²	91.5	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-59.9	-41.3	179.1	177	0	0	0	0	111.9	A311 L312 D318 L319	A311-V315 PolarHBondContact O-N 3.46Å; A311-V315 VanDerWaalsContact O-N 3.16Å; L312-V315 PolarHBondContact O-N 3.1Å; V315-D318 PolarHBondContact O-N 3.26Å; V315-L319 HydrophobicContact CG1-CD1 4.11Å; V315-L319 PolarHBondContact O-N 3.09Å
316	K	95.8	Very high	92.6	Very high	100 Å²	100	92.4 Å²	92.4	44%	0.435	51%	0.505	S	S	.	.	H	α-helix	trans	-60.8	-44.6	175.8	-176.6	-158	74.8	-167	0	111.3	L312 N313 V314 L319 I320	L312-K316 VanDerWaalsContact O-CB 3.25Å; L312-K316 WeakPolarHBondContact O-CB 3.13Å; L312-K316 PolarHBondContact O-N 2.85Å; N313-K316 PolarHBondContact OD1-NZ 3.16Å; V314-K316 VanDerWaalsContact C-N 3.31Å; V314-K316 PolarHBondContact O-N 2.83Å; K316-L319 PolarHBondContact O-N 3.15Å; K316-I320 HydrophobicContact CG-CD1 4.13Å; K316-I320 VanDerWaalsContact O-CG1 3.27Å; K316-I320 WeakPolarHBondContact O-CG1 3.4Å; K316-I320 PolarHBondContact O-N 2.82Å
317	N	91.1	Very high	92.4	Very high	90 Å²	90	90.7 Å²	90.7	48%	0.481	50%	0.499	S	S	.	.	H	α-helix	trans	-67.3	-39.5	179.4	-68.3	-11.9	0	0	0	111.5	N313 V314 L319 I320 A321	N313-N317 WeakPolarHBondContact O-CB 3.46Å; N313-N317 PolarHBondContact O-N 2.97Å; N313-N317 PolarHBondContact O-ND2 2.77Å; N313-N317 PolarHBondContact O-OD1 3.33Å; V314-N317 PolarHBondContact O-N 3.23Å; V314-N317 VanDerWaalsContact O-N 3.1Å; N317-L319 VanDerWaalsContact C-N 3.33Å; N317-L319 PolarHBondContact O-N 2.85Å; N317-I320 PolarHBondContact O-N 2.85Å; N317-A321 PolarHBondContact O-N 2.79Å
318	D	93.1	Very high	92.3	Very high	90 Å²	90	87.2 Å²	87.2	48%	0.481	49%	0.49	S	S	.	.	H	α-helix	trans	-63.7	-38.7	174.1	-72.3	-9.1	0	0	0	111.8	V314 V315 A321 Q322	V314-D318 PolarHBondContact O-N 3.29Å; V315-D318 PolarHBondContact O-N 3.26Å; D318-A321 PolarHBondContact O-N 3.39Å; D318-Q322 WeakPolarHBondContact O-CG 3.44Å; D318-Q322 PolarHBondContact O-N 3.38Å
319	L	90.1	Very high	92.1	Very high	112 Å²	112	88.4 Å²	88.4	59%	0.586	49%	0.489	S	S	*	.	H	α-helix	trans	-65.8	-39.4	174.5	-114.2	95.9	0	0	0	112.2	V315 K316 N317 Q322 L323	V315-L319 HydrophobicContact CG1-CD1 4.11Å; V315-L319 PolarHBondContact O-N 3.09Å; K316-L319 PolarHBondContact O-N 3.15Å; N317-L319 VanDerWaalsContact C-N 3.33Å; N317-L319 PolarHBondContact O-N 2.85Å; L319-Q322 PolarHBondContact O-N 3.4Å; L319-L323 WeakPolarHBondContact O-CB 3.28Å; L319-L323 PolarHBondContact O-N 3.18Å
320	I	92.3	Very high	91.8	Very high	77 Å²	77	86.9 Å²	86.9	40%	0.395	48%	0.484	S	S	.	.	H	α-helix	trans	-63.6	-45.6	175.7	-69.6	164.3	0	0	0	109.8	K316 N317 Q322 L323 D324	K316-I320 HydrophobicContact CG-CD1 4.13Å; K316-I320 VanDerWaalsContact O-CG1 3.27Å; K316-I320 WeakPolarHBondContact O-CG1 3.4Å; K316-I320 PolarHBondContact O-N 2.82Å; N317-I320 PolarHBondContact O-N 2.85Å; I320-Q322 VanDerWaalsContact C-N 3.33Å; I320-Q322 PolarHBondContact O-N 2.89Å; I320-L323 WeakPolarHBondContact O-CB 3.35Å; I320-L323 PolarHBondContact O-N 2.86Å; I320-L323 VanDerWaalsContact O-N 3.15Å; I320-D324 PolarHBondContact O-N 3.21Å
321	A	91.9	Very high	91.8	Very high	62 Å²	62	86.9 Å²	86.9	51%	0.512	48%	0.484	S	S	.	.	H	α-helix	trans	-61.2	-40.1	177.3	0	0	0	0	0	112.5	N317 D318 G325	N317-A321 PolarHBondContact O-N 2.79Å; D318-A321 PolarHBondContact O-N 3.39Å; A321-G325 PolarHBondContact O-N 3.21Å
322	Q	90.7	Very high	91.6	Very high	129 Å²	129	89 Å²	89	60%	0.603	49%	0.486	S	S	*	.	H	α-helix	trans	-66.1	-40.3	174	-75.5	178.1	68.3	0	0	112.4	D318 L319 I320 G325 L326	D318-Q322 WeakPolarHBondContact O-CG 3.44Å; D318-Q322 PolarHBondContact O-N 3.38Å; L319-Q322 PolarHBondContact O-N 3.4Å; I320-Q322 VanDerWaalsContact C-N 3.33Å; I320-Q322 PolarHBondContact O-N 2.89Å; Q322-G325 PolarHBondContact O-N 3.24Å; Q322-L326 WeakPolarHBondContact O-CG 3.44Å; Q322-L326 PolarHBondContact O-N 2.91Å
323	L	94.2	Very high	91.3	Very high	104 Å²	104	86.1 Å²	86.1	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-63.7	-44.7	175.8	-179.1	63.3	0	0	0	111.3	L319 I320 G325 L326 V327	L319-L323 WeakPolarHBondContact O-CB 3.28Å; L319-L323 PolarHBondContact O-N 3.18Å; I320-L323 WeakPolarHBondContact O-CB 3.35Å; I320-L323 PolarHBondContact O-N 2.86Å; I320-L323 VanDerWaalsContact O-N 3.15Å; L323-G325 VanDerWaalsContact C-N 3.32Å; L323-G325 PolarHBondContact O-N 3.03Å; L323-L326 PolarHBondContact O-N 2.89Å; L323-V327 HydrophobicContact CD1-CG2 4.29Å; L323-V327 HydrophobicContact CG-CG2 4.42Å; L323-V327 WeakPolarHBondContact O-CB 3.19Å; L323-V327 VanDerWaalsContact O-CG2 3.25Å; L323-V327 WeakPolarHBondContact O-CG2 3.41Å; L323-V327 PolarHBondContact O-N 3.43Å
324	D	89.7	Confident	91.1	Very high	100 Å²	100	88.9 Å²	88.9	54%	0.535	48%	0.478	S	S	.	.	H	α-helix	trans	-62.1	-40.7	177.1	-70.8	-20.8	0	0	0	111.3	I320 V327 S328	I320-D324 PolarHBondContact O-N 3.21Å; D324-V327 PolarHBondContact O-N 2.94Å; D324-S328 PolarHBondContact O-N 3.22Å
325	G	88.7	Confident	90.9	Very high	36 Å²	36	89.6 Å²	89.6	37%	0.371	48%	0.475	S	S	.	.	H	α-helix	trans	-58.1	-51.4	172.3	0	0	0	0	0	112.3	A321 Q322 L323 V327 S328 E329	A321-G325 PolarHBondContact O-N 3.21Å; Q322-G325 PolarHBondContact O-N 3.24Å; L323-G325 VanDerWaalsContact C-N 3.32Å; L323-G325 PolarHBondContact O-N 3.03Å; G325-V327 PolarHBondContact O-N 3.5Å; G325-S328 PolarHBondContact O-N 3.49Å; G325-S328 PolarHBondContact O-OG 3.39Å; G325-E329 PolarHBondContact O-N 2.94Å
326	L	92.5	Very high	90.5	Very high	110 Å²	110	89.3 Å²	89.3	58%	0.576	47%	0.468	S	S	*	.	H	α-helix	trans	-64.4	-36.3	179.1	-71.8	172.3	0	0	0	113.1	Q322 L323 E329 Q330	Q322-L326 WeakPolarHBondContact O-CG 3.44Å; Q322-L326 PolarHBondContact O-N 2.91Å; L323-L326 PolarHBondContact O-N 2.89Å; L326-E329 PolarHBondContact O-N 2.73Å; L326-Q330 WeakPolarHBondContact O-CB 3.18Å; L326-Q330 PolarHBondContact O-N 3.41Å
327	V	90.5	Very high	90.2	Very high	61 Å²	61	89 Å²	89	37%	0.37	47%	0.47	S	S	.	.	H	α-helix	trans	-65.7	-43.3	175.5	169.4	0	0	0	0	110.5	L323 D324 G325 E329 Q330 D331	L323-V327 HydrophobicContact CD1-CG2 4.29Å; L323-V327 HydrophobicContact CG-CG2 4.42Å; L323-V327 WeakPolarHBondContact O-CB 3.19Å; L323-V327 VanDerWaalsContact O-CG2 3.25Å; L323-V327 WeakPolarHBondContact O-CG2 3.41Å; L323-V327 PolarHBondContact O-N 3.43Å; D324-V327 PolarHBondContact O-N 2.94Å; G325-V327 PolarHBondContact O-N 3.5Å; V327-E329 VanDerWaalsContact C-N 3.35Å; V327-E329 PolarHBondContact O-N 3.26Å; V327-Q330 WeakPolarHBondContact O-CB 3.06Å; V327-Q330 PolarHBondContact O-N 3.34Å; V327-D331 PolarHBondContact O-N 2.87Å
328	S	89.4	Confident	90.1	Very high	64 Å²	64	91.7 Å²	91.7	45%	0.448	47%	0.474	S	S	.	.	H	α-helix	trans	-63.8	-38.8	177.4	75.2	0	0	0	0	112.6	D324 G325 D331 I332	D324-S328 PolarHBondContact O-N 3.22Å; G325-S328 PolarHBondContact O-N 3.49Å; G325-S328 PolarHBondContact O-OG 3.39Å; S328-D331 PolarHBondContact O-N 2.92Å; S328-I332 WeakPolarHBondContact O-CG1 3.28Å; S328-I332 PolarHBondContact O-N 3.28Å; S328-I332 VanDerWaalsContact O-N 3.1Å
329	E	88.8	Confident	89.8	Confident	108 Å²	108	90 Å²	90	51%	0.505	47%	0.469	S	S	.	.	H	α-helix	trans	-66	-41.9	174.7	-170.6	-177.1	166.6	0	0	111.4	G325 L326 V327 D331 I332 L333	G325-E329 PolarHBondContact O-N 2.94Å; L326-E329 PolarHBondContact O-N 2.73Å; V327-E329 VanDerWaalsContact C-N 3.35Å; V327-E329 PolarHBondContact O-N 3.26Å; E329-D331 VanDerWaalsContact C-N 3.28Å; E329-D331 PolarHBondContact O-N 2.82Å; E329-I332 PolarHBondContact O-N 2.77Å; E329-L333 HydrophobicContact CG-CD1 4.25Å; E329-L333 WeakPolarHBondContact O-CG 3.41Å; E329-L333 PolarHBondContact O-N 3.35Å
330	Q	88.4	Confident	89.6	Confident	94 Å²	94	89.8 Å²	89.8	44%	0.439	47%	0.468	S	S	.	.	H	α-helix	trans	-59.8	-39.4	175.5	-167.3	-175.1	32.5	0	0	111.8	L326 V327 L333 R334	L326-Q330 WeakPolarHBondContact O-CB 3.18Å; L326-Q330 PolarHBondContact O-N 3.41Å; V327-Q330 WeakPolarHBondContact O-CB 3.06Å; V327-Q330 PolarHBondContact O-N 3.34Å; Q330-L333 PolarHBondContact O-N 3.46Å; Q330-R334 WeakPolarHBondContact O-CB 2.98Å; Q330-R334 VanDerWaalsContact O-CG 3.27Å; Q330-R334 WeakPolarHBondContact O-CG 3.41Å; Q330-R334 PolarHBondContact O-N 3.36Å
331	D	90.6	Very high	89.4	Confident	86 Å²	86	91.8 Å²	91.8	46%	0.46	48%	0.476	S	S	.	.	H	α-helix	trans	-68.7	-38.9	177.9	-75.2	-21.3	0	0	0	112.4	V327 S328 E329 R334 E335	V327-D331 PolarHBondContact O-N 2.87Å; S328-D331 PolarHBondContact O-N 2.92Å; E329-D331 VanDerWaalsContact C-N 3.28Å; E329-D331 PolarHBondContact O-N 2.82Å; D331-R334 PolarHBondContact O-N 2.82Å; D331-R334 IonicContact OD1-NH1 3.31Å; D331-E335 PolarHBondContact O-N 3.24Å
332	I	89.9	Confident	89.1	Confident	103 Å²	103	94.7 Å²	94.7	53%	0.528	48%	0.48	S	S	.	.	H	α-helix	trans	-62.7	-47.7	173.3	-66	165	0	0	0	110.4	S328 E329 R334 E335 E336	S328-I332 WeakPolarHBondContact O-CG1 3.28Å; S328-I332 PolarHBondContact O-N 3.28Å; S328-I332 VanDerWaalsContact O-N 3.1Å; E329-I332 PolarHBondContact O-N 2.77Å; I332-R334 VanDerWaalsContact C-N 3.3Å; I332-R334 PolarHBondContact O-N 2.8Å; I332-E335 PolarHBondContact O-N 3.42Å; I332-E335 VanDerWaalsContact O-N 3.13Å; I332-E336 PolarHBondContact O-N 2.87Å
333	L	87.5	Confident	89	Confident	60 Å²	60	92.7 Å²	92.7	31%	0.314	47%	0.473	S	S	.	.	H	α-helix	trans	-63.7	-35.8	178.9	-70.3	172.9	0	0	0	112.2	E329 Q330 E336 I337	E329-L333 HydrophobicContact CG-CD1 4.25Å; E329-L333 WeakPolarHBondContact O-CG 3.41Å; E329-L333 PolarHBondContact O-N 3.35Å; Q330-L333 PolarHBondContact O-N 3.46Å; L333-E336 PolarHBondContact O-N 3.27Å; L333-I337 VanDerWaalsContact O-CG1 3.28Å; L333-I337 WeakPolarHBondContact O-CG1 3.31Å; L333-I337 PolarHBondContact O-N 2.83Å
334	R	89.9	Confident	88.7	Confident	113 Å²	113	96.6 Å²	96.6	43%	0.426	48%	0.48	S	S	.	.	H	α-helix	trans	-64.1	-39.5	173.2	-79.5	172.2	169.8	167.8	-2.4	112	Q330 D331 I332 I337 R338	Q330-R334 WeakPolarHBondContact O-CB 2.98Å; Q330-R334 VanDerWaalsContact O-CG 3.27Å; Q330-R334 WeakPolarHBondContact O-CG 3.41Å; Q330-R334 PolarHBondContact O-N 3.36Å; D331-R334 PolarHBondContact O-N 2.82Å; D331-R334 IonicContact OD1-NH1 3.31Å; I332-R334 VanDerWaalsContact C-N 3.3Å; I332-R334 PolarHBondContact O-N 2.8Å; R334-I337 PolarHBondContact O-N 2.81Å; R334-R338 WeakPolarHBondContact O-CG 3.22Å; R334-R338 PolarHBondContact O-N 3.18Å; R334-R338 VanDerWaalsContact O-N 3.14Å
335	E	88.3	Confident	88.6	Confident	101 Å²	101	94.8 Å²	94.8	47%	0.472	48%	0.479	S	S	.	.	H	α-helix	trans	-68.5	-40.5	175.3	-171.8	58.1	-154.4	0	0	112	D331 I332 I337 R338 S339	D331-E335 PolarHBondContact O-N 3.24Å; I332-E335 PolarHBondContact O-N 3.42Å; I332-E335 VanDerWaalsContact O-N 3.13Å; E335-I337 VanDerWaalsContact C-N 3.35Å; E335-I337 PolarHBondContact O-N 2.87Å; E335-R338 PolarHBondContact O-N 2.84Å; E335-R338 IonicContact OE2-CZ 2.59Å; E335-R338 IonicContact OE2-NE 2.65Å; E335-R338 PolarHBondContact OE2-NE 2.84Å; E335-R338 IonicContact OE2-NH2 3.8Å; E335-R338 PolarHBondContact OE2-NH2 3.09Å; E335-S339 PolarHBondContact O-N 3.44Å
336	E	87.6	Confident	88.6	Confident	76 Å²	76	100 Å²	100	36%	0.355	49%	0.491	S	S	.	.	H	α-helix	trans	-58.6	-45.6	173.4	-75.6	-174.1	171.5	0	0	111.6	I332 L333 R338 S339 L340 R1154	I332-E336 PolarHBondContact O-N 2.87Å; L333-E336 PolarHBondContact O-N 3.27Å; E336-R338 PolarHBondContact O-N 3.5Å; E336-S339 PolarHBondContact O-N 2.87Å; E336-S339 PolarHBondContact O-OG 3.31Å; E336-L340 WeakPolarHBondContact O-CG 3.09Å; E336-L340 PolarHBondContact O-N 3.33Å; E336-R1154 IonicContact OE1-NH1 3.81Å; E336-R1154 IonicContact OE2-CZ 2.64Å; E336-R1154 IonicContact OE2-NH1 2.93Å; E336-R1154 PolarHBondContact OE2-NH1 3.4Å
337	I	89.5	Confident	88.4	Confident	93 Å²	93	99.7 Å²	99.7	48%	0.477	49%	0.49	S	S	.	.	H	α-helix	trans	-58.7	-46.4	176.7	-70.4	166.2	0	0	0	110.7	L333 R334 E335 S339 L340 E341	L333-I337 VanDerWaalsContact O-CG1 3.28Å; L333-I337 WeakPolarHBondContact O-CG1 3.31Å; L333-I337 PolarHBondContact O-N 2.83Å; R334-I337 PolarHBondContact O-N 2.81Å; E335-I337 VanDerWaalsContact C-N 3.35Å; E335-I337 PolarHBondContact O-N 2.87Å; I337-S339 VanDerWaalsContact C-N 3.31Å; I337-S339 PolarHBondContact O-N 2.83Å; I337-L340 PolarHBondContact O-N 2.82Å; I337-E341 HydrophobicContact CG2-CG 4.41Å; I337-E341 WeakPolarHBondContact O-CG 3.4Å; I337-E341 PolarHBondContact O-N 3.27Å
338	R	88.5	Confident	88.2	Confident	147 Å²	147	100.6 Å²	100.6	56%	0.555	50%	0.495	S	S	*	.	H	α-helix	trans	-59.3	-42.1	176.2	-73.4	-166	-73.9	-128.8	0.7	112.2	R334 E335 E336 E341 M342	R334-R338 WeakPolarHBondContact O-CG 3.22Å; R334-R338 PolarHBondContact O-N 3.18Å; R334-R338 VanDerWaalsContact O-N 3.14Å; E335-R338 PolarHBondContact O-N 2.84Å; E335-R338 IonicContact OE2-CZ 2.59Å; E335-R338 IonicContact OE2-NE 2.65Å; E335-R338 PolarHBondContact OE2-NE 2.84Å; E335-R338 IonicContact OE2-NH2 3.8Å; E335-R338 PolarHBondContact OE2-NH2 3.09Å; E336-R338 PolarHBondContact O-N 3.5Å; R338-E341 PolarHBondContact O-N 2.76Å; R338-M342 PolarHBondContact O-N 3.31Å
339	S	86.4	Confident	88.1	Confident	53 Å²	53	101.5 Å²	101.5	37%	0.371	49%	0.493	S	S	.	.	H	α-helix	trans	-64.8	-40.7	178.1	80.8	0	0	0	0	112.1	E335 E336 I337 M342 I343	E335-S339 PolarHBondContact O-N 3.44Å; E336-S339 PolarHBondContact O-N 2.87Å; E336-S339 PolarHBondContact O-OG 3.31Å; I337-S339 VanDerWaalsContact C-N 3.31Å; I337-S339 PolarHBondContact O-N 2.83Å; S339-M342 WeakPolarHBondContact O-CB 3.11Å; S339-M342 PolarHBondContact O-N 2.8Å; S339-I343 WeakPolarHBondContact O-CG1 3.42Å; S339-I343 PolarHBondContact O-N 3.32Å; S339-I343 VanDerWaalsContact O-N 3.08Å
340	L	85.5	Confident	88.1	Confident	109 Å²	109	101.8 Å²	101.8	57%	0.571	49%	0.489	S	S	*	.	H	α-helix	trans	-69.3	-36.8	177.5	-71.9	172.5	0	0	0	111.8	E336 I337 I343 R344	E336-L340 WeakPolarHBondContact O-CG 3.09Å; E336-L340 PolarHBondContact O-N 3.33Å; I337-L340 PolarHBondContact O-N 2.82Å; L340-I343 PolarHBondContact O-N 2.88Å; L340-R344 WeakPolarHBondContact O-CB 3.1Å; L340-R344 PolarHBondContact O-N 3.39Å
341	E	88.2	Confident	88	Confident	119 Å²	119	101.8 Å²	101.8	56%	0.556	49%	0.491	S	S	*	.	H	α-helix	trans	-63.3	-40.5	172.8	-74.8	178.8	160.6	0	0	112	I337 R338 R344 A345	I337-E341 HydrophobicContact CG2-CG 4.41Å; I337-E341 WeakPolarHBondContact O-CG 3.4Å; I337-E341 PolarHBondContact O-N 3.27Å; R338-E341 PolarHBondContact O-N 2.76Å; E341-R344 PolarHBondContact O-N 3.29Å; E341-A345 WeakPolarHBondContact O-CB 3.22Å; E341-A345 PolarHBondContact O-N 3.41Å
342	M	86.9	Confident	87.9	Confident	122 Å²	122	104 Å²	104	60%	0.601	49%	0.493	S	S	*	.	H	α-helix	trans	-62.3	-41.8	172.7	-96.5	-175.4	64.2	0	0	112.6	R338 S339 A345 K346	R338-M342 PolarHBondContact O-N 3.31Å; S339-M342 WeakPolarHBondContact O-CB 3.11Å; S339-M342 PolarHBondContact O-N 2.8Å; M342-A345 PolarHBondContact O-N 2.88Å; M342-K346 WeakPolarHBondContact O-CG 3.2Å; M342-K346 PolarHBondContact O-N 3.49Å; M342-K346 VanDerWaalsContact O-N 3.15Å
343	I	87.8	Confident	87.7	Confident	88 Å²	88	102.7 Å²	102.7	45%	0.451	49%	0.485	S	S	.	.	H	α-helix	trans	-66.4	-44.6	177.1	-67.5	166.2	0	0	0	110.4	S339 L340 A345 K346 L347	S339-I343 WeakPolarHBondContact O-CG1 3.42Å; S339-I343 PolarHBondContact O-N 3.32Å; S339-I343 VanDerWaalsContact O-N 3.08Å; L340-I343 PolarHBondContact O-N 2.88Å; I343-A345 VanDerWaalsContact C-N 3.32Å; I343-A345 PolarHBondContact O-N 2.92Å; I343-K346 PolarHBondContact O-N 3.44Å; I343-L347 HydrophobicContact CG2-CD1 3.9Å; I343-L347 HydrophobicContact CG2-CG 4.3Å; I343-L347 WeakPolarHBondContact O-CG 3.38Å; I343-L347 PolarHBondContact O-N 3.04Å
344	R	87.7	Confident	87.4	Confident	185 Å²	185	103.6 Å²	103.6	70%	0.698	49%	0.489	S	S	*	.	H	α-helix	trans	-59.1	-42.5	176.3	-176.6	-176.8	173.2	-158.9	-0.5	111.7	L340 E341 L347 T348	L340-R344 WeakPolarHBondContact O-CB 3.1Å; L340-R344 PolarHBondContact O-N 3.39Å; E341-R344 PolarHBondContact O-N 3.29Å; R344-L347 PolarHBondContact O-N 2.75Å; R344-T348 WeakPolarHBondContact O-CB 3.46Å; R344-T348 PolarHBondContact O-N 3.12Å; R344-T348 PolarHBondContact O-OG1 3.2Å
345	A	89	Confident	87.1	Confident	62 Å²	62	104.4 Å²	104.4	51%	0.512	50%	0.498	S	S	.	.	H	α-helix	trans	-61.5	-44.1	176.3	0	0	0	0	0	111.9	E341 M342 I343 T348 E349	E341-A345 WeakPolarHBondContact O-CB 3.22Å; E341-A345 PolarHBondContact O-N 3.41Å; M342-A345 PolarHBondContact O-N 2.88Å; I343-A345 VanDerWaalsContact C-N 3.32Å; I343-A345 PolarHBondContact O-N 2.92Å; A345-T348 PolarHBondContact O-N 3.49Å; A345-E349 PolarHBondContact O-N 2.85Å; A345-E349 VanDerWaalsContact O-N 3.1Å
346	K	88.6	Confident	86.9	Confident	146 Å²	146	103 Å²	103	64%	0.635	50%	0.497	S	S	*	.	H	α-helix	trans	-63.2	-42.9	175.5	-72.8	178.8	179.3	179	0	112.7	M342 I343 T348 E349 R350	M342-K346 WeakPolarHBondContact O-CG 3.2Å; M342-K346 PolarHBondContact O-N 3.49Å; M342-K346 VanDerWaalsContact O-N 3.15Å; I343-K346 PolarHBondContact O-N 3.44Å; K346-T348 VanDerWaalsContact C-N 3.34Å; K346-E349 PolarHBondContact O-N 2.85Å; K346-R350 PolarHBondContact O-N 2.82Å
347	L	87	Confident	86.7	Confident	103 Å²	103	104.3 Å²	104.3	54%	0.539	50%	0.503	S	S	.	.	H	α-helix	trans	-66.5	-36.8	177.2	-70.3	173.8	0	0	0	111.9	I343 R344 E349 R350 I351	I343-L347 HydrophobicContact CG2-CD1 3.9Å; I343-L347 HydrophobicContact CG2-CG 4.3Å; I343-L347 WeakPolarHBondContact O-CG 3.38Å; I343-L347 PolarHBondContact O-N 3.04Å; R344-L347 PolarHBondContact O-N 2.75Å; L347-E349 VanDerWaalsContact C-N 3.33Å; L347-E349 PolarHBondContact O-N 2.99Å; L347-R350 PolarHBondContact O-N 3.31Å; L347-I351 VanDerWaalsContact O-CG1 3.32Å; L347-I351 WeakPolarHBondContact O-CG1 3.33Å; L347-I351 PolarHBondContact O-N 2.99Å
348	T	86.6	Confident	85.9	Confident	80 Å²	80	104.7 Å²	104.7	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-64	-40.3	176.4	-53.3	0	0	0	0	111.2	R344 A345 K346 I351 R352	R344-T348 WeakPolarHBondContact O-CB 3.46Å; R344-T348 PolarHBondContact O-N 3.12Å; R344-T348 PolarHBondContact O-OG1 3.2Å; A345-T348 PolarHBondContact O-N 3.49Å; K346-T348 VanDerWaalsContact C-N 3.34Å; T348-I351 PolarHBondContact O-N 2.93Å; T348-R352 PolarHBondContact O-N 3.32Å; T348-R352 VanDerWaalsContact O-N 3.09Å
349	E	87.9	Confident	85.7	Confident	84 Å²	84	104.8 Å²	104.8	39%	0.393	51%	0.51	S	S	.	.	H	α-helix	trans	-65.9	-40	174.1	-175	64.3	178.8	0	0	111.8	A345 K346 L347 I351 R352 E353	A345-E349 PolarHBondContact O-N 2.85Å; A345-E349 VanDerWaalsContact O-N 3.1Å; K346-E349 PolarHBondContact O-N 2.85Å; L347-E349 VanDerWaalsContact C-N 3.33Å; L347-E349 PolarHBondContact O-N 2.99Å; E349-I351 VanDerWaalsContact C-N 3.35Å; E349-I351 PolarHBondContact O-N 3.43Å; E349-R352 WeakPolarHBondContact O-CB 3.45Å; E349-R352 PolarHBondContact O-N 2.88Å; E349-R352 VanDerWaalsContact O-N 3.14Å; E349-R352 IonicContact OE1-CZ 3.79Å; E349-R352 IonicContact OE1-NE 2.87Å; E349-R352 IonicContact OE1-NH2 2.95Å; E349-R352 PolarHBondContact OE1-NH2 2.88Å; E349-R352 IonicContact OE2-CZ 3.43Å; E349-R352 IonicContact OE2-NE 2.71Å; E349-R352 PolarHBondContact OE2-NE 2.87Å; E349-R352 IonicContact OE2-NH2 3.31Å; E349-E353 PolarHBondContact O-N 2.87Å
350	R	87.4	Confident	85.3	Confident	114 Å²	114	107.2 Å²	107.2	43%	0.43	52%	0.519	S	S	.	.	H	α-helix	trans	-64.7	-38	176.5	-173.4	57.3	-179.1	150.5	6.8	112.8	K346 L347 R352 E353 L354	K346-R350 PolarHBondContact O-N 2.82Å; L347-R350 PolarHBondContact O-N 3.31Å; R350-R352 VanDerWaalsContact C-N 3.32Å; R350-E353 WeakPolarHBondContact CD-OE2 3.37Å; R350-E353 IonicContact CZ-OE2 3.52Å; R350-E353 IonicContact NH1-OE2 3.47Å; R350-E353 PolarHBondContact NH1-OE2 2.86Å; R350-E353 PolarHBondContact O-N 3.35Å; R350-L354 HydrophobicContact CG-CD1 4.34Å; R350-L354 WeakPolarHBondContact O-CG 3.47Å; R350-L354 PolarHBondContact O-N 3.49Å; R350-L354 VanDerWaalsContact O-N 3.07Å
351	I	87.3	Confident	84.6	Confident	94 Å²	94	106.4 Å²	106.4	48%	0.482	52%	0.518	S	S	.	.	H	α-helix	trans	-62	-43.3	173.1	-70	165.7	0	0	0	109.9	L347 T348 E349 E353 L354 E355	L347-I351 VanDerWaalsContact O-CG1 3.32Å; L347-I351 WeakPolarHBondContact O-CG1 3.33Å; L347-I351 PolarHBondContact O-N 2.99Å; T348-I351 PolarHBondContact O-N 2.93Å; E349-I351 VanDerWaalsContact C-N 3.35Å; E349-I351 PolarHBondContact O-N 3.43Å; I351-E353 VanDerWaalsContact C-N 3.35Å; I351-E353 PolarHBondContact O-N 3.08Å; I351-L354 PolarHBondContact O-N 3.16Å; I351-E355 HydrophobicContact CG2-CG 4.27Å; I351-E355 WeakPolarHBondContact O-CB 3.5Å; I351-E355 WeakPolarHBondContact O-CG 3.4Å; I351-E355 PolarHBondContact O-N 3.47Å
352	R	89.2	Confident	84	Confident	133 Å²	133	106.9 Å²	106.9	50%	0.502	52%	0.518	S	S	.	.	H	α-helix	trans	-60.7	-41.7	177.9	-167.3	-178.3	72.6	78.4	-1.4	112.3	T348 E349 R350 T356	T348-R352 PolarHBondContact O-N 3.32Å; T348-R352 VanDerWaalsContact O-N 3.09Å; E349-R352 WeakPolarHBondContact O-CB 3.45Å; E349-R352 PolarHBondContact O-N 2.88Å; E349-R352 VanDerWaalsContact O-N 3.14Å; E349-R352 IonicContact OE1-CZ 3.79Å; E349-R352 IonicContact OE1-NE 2.87Å; E349-R352 IonicContact OE1-NH2 2.95Å; E349-R352 PolarHBondContact OE1-NH2 2.88Å; E349-R352 IonicContact OE2-CZ 3.43Å; E349-R352 IonicContact OE2-NE 2.71Å; E349-R352 PolarHBondContact OE2-NE 2.87Å; E349-R352 IonicContact OE2-NH2 3.31Å; R350-R352 VanDerWaalsContact C-N 3.32Å; R352-T356 WeakPolarHBondContact O-CG2 3.35Å; R352-T356 PolarHBondContact O-N 3.3Å; R352-T356 PolarHBondContact O-OG1 3.28Å
353	E	85.1	Confident	83.2	Confident	74 Å²	74	106.6 Å²	106.6	35%	0.346	52%	0.518	S	S	.	.	H	α-helix	trans	-61.9	-48.2	174.6	-69.3	173.9	173.1	0	0	111.7	E349 R350 I351 E355 T356 E357	E349-E353 PolarHBondContact O-N 2.87Å; R350-E353 WeakPolarHBondContact CD-OE2 3.37Å; R350-E353 IonicContact CZ-OE2 3.52Å; R350-E353 IonicContact NH1-OE2 3.47Å; R350-E353 PolarHBondContact NH1-OE2 2.86Å; R350-E353 PolarHBondContact O-N 3.35Å; I351-E353 VanDerWaalsContact C-N 3.35Å; I351-E353 PolarHBondContact O-N 3.08Å; E353-E355 VanDerWaalsContact C-N 3.33Å; E353-E355 PolarHBondContact O-N 2.84Å; E353-T356 PolarHBondContact O-N 2.71Å; E353-T356 VanDerWaalsContact O-N 3.12Å; E353-T356 PolarHBondContact O-OG1 3.08Å; E353-E357 PolarHBondContact O-N 2.94Å
354	L	80.4	Confident	82.2	Confident	79 Å²	79	106.2 Å²	106.2	41%	0.414	52%	0.523	S	S	.	.	H	α-helix	trans	-64.3	-36.7	179.4	-70.8	171	0	0	0	112.5	R350 I351 T356 E357 L358	R350-L354 HydrophobicContact CG-CD1 4.34Å; R350-L354 WeakPolarHBondContact O-CG 3.47Å; R350-L354 PolarHBondContact O-N 3.49Å; R350-L354 VanDerWaalsContact O-N 3.07Å; I351-L354 PolarHBondContact O-N 3.16Å; L354-T356 VanDerWaalsContact C-N 3.3Å; L354-T356 PolarHBondContact O-N 3.45Å; L354-E357 PolarHBondContact O-N 3.28Å; L354-L358 WeakPolarHBondContact O-CB 3.39Å; L354-L358 PolarHBondContact O-N 2.79Å
355	E	84.8	Confident	80.7	Confident	130 Å²	130	103.8 Å²	103.8	61%	0.607	52%	0.52	S	S	*	.	H	α-helix	trans	-63.8	-35.5	174.4	-75.8	179.8	165.5	0	0	112.1	I351 E353 K359	I351-E355 HydrophobicContact CG2-CG 4.27Å; I351-E355 WeakPolarHBondContact O-CB 3.5Å; I351-E355 WeakPolarHBondContact O-CG 3.4Å; I351-E355 PolarHBondContact O-N 3.47Å; E353-E355 VanDerWaalsContact C-N 3.33Å; E353-E355 PolarHBondContact O-N 2.84Å; E355-K359 PolarHBondContact O-N 3.09Å
356	T	83.6	Confident	79	Confident	72 Å²	72	109.1 Å²	109.1	44%	0.442	53%	0.534	S	S	.	.	H	α-helix	trans	-70	-43.6	174.4	54.3	0	0	0	0	112.3	R352 E353 L354 L358 K359 D360	R352-T356 WeakPolarHBondContact O-CG2 3.35Å; R352-T356 PolarHBondContact O-N 3.3Å; R352-T356 PolarHBondContact O-OG1 3.28Å; E353-T356 PolarHBondContact O-N 2.71Å; E353-T356 VanDerWaalsContact O-N 3.12Å; E353-T356 PolarHBondContact O-OG1 3.08Å; L354-T356 VanDerWaalsContact C-N 3.3Å; L354-T356 PolarHBondContact O-N 3.45Å; T356-L358 PolarHBondContact O-N 2.85Å; T356-K359 WeakPolarHBondContact O-CB 3.29Å; T356-K359 PolarHBondContact O-N 2.88Å; T356-D360 PolarHBondContact O-N 3.01Å
357	E	82.3	Confident	76.9	Confident	103 Å²	103	109.8 Å²	109.8	48%	0.481	54%	0.54	S	S	.	.	H	α-helix	trans	-62.6	-41	176.7	-70.8	178.2	-178.1	0	0	112	E353 L354 K359 D360 V361	E353-E357 PolarHBondContact O-N 2.94Å; L354-E357 PolarHBondContact O-N 3.28Å; E357-K359 PolarHBondContact O-N 2.57Å; E357-D360 PolarHBondContact O-N 2.87Å; E357-V361 WeakPolarHBondContact O-CG2 3.41Å; E357-V361 PolarHBondContact O-N 2.81Å
358	L	74.6	Confident	74.8	Confident	102 Å²	102	110.7 Å²	110.7	53%	0.534	55%	0.545	S	S	.	.	H	α-helix	trans	-65.3	-30.3	179.3	-158.1	147.3	0	0	0	112.1	L354 T356 K362	L354-L358 WeakPolarHBondContact O-CB 3.39Å; L354-L358 PolarHBondContact O-N 2.79Å; T356-L358 PolarHBondContact O-N 2.85Å; L358-K362 HydrophobicContact CD2-CD 4.14Å; L358-K362 HydrophobicContact CD2-CG 4.47Å; L358-K362 PolarHBondContact O-N 3.21Å; L358-K362 VanDerWaalsContact O-N 3.11Å
359	K	82.9	Confident	72.5	Confident	149 Å²	149	116.6 Å²	116.6	65%	0.648	56%	0.564	S	S	*	*	H	α-helix	trans	-70.4	-39.2	175.8	-153.2	174.3	-175.6	178.9	0	111.6	E355 T356 E357 L363	E355-K359 PolarHBondContact O-N 3.09Å; T356-K359 WeakPolarHBondContact O-CB 3.29Å; T356-K359 PolarHBondContact O-N 2.88Å; E357-K359 PolarHBondContact O-N 2.57Å; K359-L363 PolarHBondContact O-N 3.36Å
360	D	78.6	Confident	70	Confident	104 Å²	104	119.5 Å²	119.5	56%	0.556	58%	0.582	S	S	*	*	H	α-helix	trans	-69.8	-38.7	177.1	-69.9	-11.3	0	0	0	112	T356 E357 L363 S364	T356-D360 PolarHBondContact O-N 3.01Å; E357-D360 PolarHBondContact O-N 2.87Å; D360-L363 PolarHBondContact O-N 3.47Å; D360-S364 PolarHBondContact O-N 3.32Å; D360-S364 VanDerWaalsContact O-N 3.17Å; D360-S364 PolarHBondContact O-OG 3.42Å
361	V	70.5	Confident	67.4	Low	91 Å²	91	123.4 Å²	123.4	55%	0.552	61%	0.605	S	S	*	*	H	α-helix	trans	-66	-40.8	175.5	174.2	0	0	0	0	111.5	E357 L363 S364 Q365	E357-V361 WeakPolarHBondContact O-CG2 3.41Å; E357-V361 PolarHBondContact O-N 2.81Å; V361-L363 PolarHBondContact O-N 3.49Å; V361-S364 WeakPolarHBondContact O-CB 3.32Å; V361-S364 PolarHBondContact O-N 2.79Å; V361-S364 VanDerWaalsContact O-N 3.15Å; V361-Q365 PolarHBondContact O-N 3.43Å
362	K	75.8	Confident	64.7	Low	129 Å²	129	122.7 Å²	122.7	56%	0.561	62%	0.621	S	S	*	*	H	α-helix	trans	-61.9	-43.5	176.6	-89.5	-178.4	176.4	171.6	0	112.8	L358 S364 Q365 E366	L358-K362 HydrophobicContact CD2-CD 4.14Å; L358-K362 HydrophobicContact CD2-CG 4.47Å; L358-K362 PolarHBondContact O-N 3.21Å; L358-K362 VanDerWaalsContact O-N 3.11Å; K362-S364 PolarHBondContact O-N 3.34Å; K362-Q365 PolarHBondContact O-N 3.49Å; K362-Q365 VanDerWaalsContact O-N 3.12Å; K362-E366 PolarHBondContact O-N 3.47Å
363	L	70.1	Confident	62	Low	116 Å²	116	121.2 Å²	121.2	61%	0.607	64%	0.637	S	S	*	*	H	α-helix	trans	-61.3	-33.5	175.4	-79	163.1	0	0	0	111.8	K359 D360 V361	K359-L363 PolarHBondContact O-N 3.36Å; D360-L363 PolarHBondContact O-N 3.47Å; V361-L363 PolarHBondContact O-N 3.49Å
364	S	66.6	Low	59.4	Low	80 Å²	80	124.7 Å²	124.7	56%	0.559	66%	0.658	S	S	*	*	H	α-helix	trans	-73.4	-28.5	176.6	-54.2	0	0	0	0	112.9	D360 V361 K362	D360-S364 PolarHBondContact O-N 3.32Å; D360-S364 VanDerWaalsContact O-N 3.17Å; D360-S364 PolarHBondContact O-OG 3.42Å; V361-S364 WeakPolarHBondContact O-CB 3.32Å; V361-S364 PolarHBondContact O-N 2.79Å; V361-S364 VanDerWaalsContact O-N 3.15Å; K362-S364 PolarHBondContact O-N 3.34Å
365	Q	57.4	Low	57.5	Low	134 Å²	134	127 Å²	127	63%	0.626	68%	0.676	S	S	*	*	H	α-helix	trans	-84.6	-29	-175	-162.3	174.2	9.7	0	0	113.4	V361 K362 Q367	V361-Q365 PolarHBondContact O-N 3.43Å; K362-Q365 PolarHBondContact O-N 3.49Å; K362-Q365 VanDerWaalsContact O-N 3.12Å; Q365-Q367 PolarHBondContact O-N 2.89Å
366	E	52.6	Low	55.4	Low	174 Å²	174	125.7 Å²	125.7	81%	0.813	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-13.9	176.4	-74.7	-167.2	164.2	0	0	113.8	K362	K362-E366 PolarHBondContact O-N 3.47Å
367	Q	44.8	Very low	53.4	Low	161 Å²	161	131.4 Å²	131.4	75%	0.752	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-11.3	179.9	-82.7	-172.2	-10.6	0	0	115.4	Q365	Q365-Q367 PolarHBondContact O-N 2.89Å
368	N	41.5	Very low	51.8	Low	122 Å²	122	130.7 Å²	130.7	65%	0.652	71%	0.713	S	S	*	*	S	Bend	trans	-139.2	99.2	-173.4	-71.4	-47.9	0	0	0	111.4
369	K	40	Very low	50.1	Low	204 Å²	204	134.6 Å²	134.6	89%	0.887	73%	0.729	S	S	*	*			trans	168	107.7	144.9	-91.6	154.9	-172.1	-170	0	112
370	D	34.7	Very low	48	Very low	145 Å²	145	139 Å²	139	78%	0.775	74%	0.741	S	S	*	*			trans	-130.8	157.1	165.5	-99	-30.2	0	0	0	109.5
371	E	31.8	Very low	46.6	Very low	196 Å²	196	144 Å²	144	92%	0.916	76%	0.758	S	S	*	*			trans	109.1	110.7	159.7	-57.1	-157.7	157.1	0	0	122.1
372	G	31.8	Very low	45.2	Very low	79 Å²	79	151.3 Å²	151.3	81%	0.814	78%	0.776	S	S	*	*			trans	78.8	125.5	131	0	0	0	0	0	120.6
373	A	32.1	Very low	44.3	Very low	101 Å²	101	150.6 Å²	150.6	84%	0.835	77%	0.773	S	S	*	*			cis	104.6	126.2	11.8	0	0	0	0	0	118.3
374	D	31.1	Very low	43.8	Very low	147 Å²	147	148.9 Å²	148.9	79%	0.786	77%	0.767	S	S	*	*			trans	76.9	141.3	146.5	-110.8	-5.3	0	0	0	120.7
375	V	39.2	Very low	43.6	Very low	129 Å²	129	156.3 Å²	156.3	78%	0.782	78%	0.783	S	S	*	*			cis	-151.5	154.8	33.8	173.6	0	0	0	0	113.4
376	P	42.3	Very low	43.8	Very low	101 Å²	101	156.2 Å²	156.2	66%	0.656	79%	0.786	S	S	*	*			trans	-97.2	163.9	-168.9	-9.5	32	0	0	0	119.9	A378	P376-A378 PolarHBondContact O-N 2.86Å; P376-A378 VanDerWaalsContact O-N 3.11Å
377	M	40.7	Very low	44.5	Very low	193 Å²	193	152.4 Å²	152.4	95%	0.951	77%	0.768	S	S	*	*			trans	-84.3	55.2	-170.6	-168.1	152.3	53.1	0	0	114.4	H379	M377-H379 PolarHBondContact O-N 2.84Å
378	A	49.6	Very low	46.1	Very low	87 Å²	87	148.8 Å²	148.8	72%	0.719	75%	0.752	S	S	*	*			trans	-86	8.1	-175.6	0	0	0	0	0	116.3	P376	P376-A378 PolarHBondContact O-N 2.86Å; P376-A378 VanDerWaalsContact O-N 3.11Å
379	H	37.9	Very low	47.5	Very low	185 Å²	185	145.3 Å²	145.3	86%	0.856	74%	0.74	S	S	*	*			trans	-110.4	19.1	-165.5	-80.6	108.7	0	0	0	118.4	M377	M377-H379 PolarHBondContact O-N 2.84Å
380	R	38.2	Very low	49.3	Very low	241 Å²	241	144.1 Å²	144.1	91%	0.909	73%	0.73	S	S	*	*			trans	-107	123.3	172.4	-103.4	179.2	169.9	177.1	-3.7	113.7
381	K	50.4	Low	51.3	Low	209 Å²	209	139.7 Å²	139.7	91%	0.909	71%	0.708	S	S	*	*			trans	-94.5	95.7	-173.2	-72.5	-179.6	177.8	176	0	112.5
382	R	41.8	Very low	53.9	Low	245 Å²	245	133.9 Å²	133.9	93%	0.925	68%	0.683	S	S	*	*			trans	69.3	125.6	157.9	-73.4	-178.5	171.3	-96.2	-0.9	120.9
383	F	54.9	Low	56.3	Low	113 Å²	113	136.9 Å²	136.9	50%	0.496	68%	0.677	S	S	.	*			trans	-89.4	150.2	174.6	-70	-82	0	0	0	112.9	E387 M388 V391	F383-E387 HydrophobicContact CB-CB 4.22Å; F383-E387 HydrophobicContact CD1-CB 3.83Å; F383-M388 HydrophobicContact CB-CB 4.47Å; F383-M388 HydrophobicContact CB-CE 4.33Å; F383-M388 HydrophobicContact CD2-CE 4.45Å; F383-V391 HydrophobicContact CD1-CG2 4.17Å; F383-V391 HydrophobicContact CE1-CG2 3.71Å; F383-V391 HydrophobicContact CZ-CG1 4.5Å; F383-V391 HydrophobicContact CZ-CG2 4.13Å
384	T	60.5	Low	59.1	Low	81 Å²	81	136 Å²	136	50%	0.497	66%	0.656	S	S	.	*			trans	-71.5	164	164.1	64.6	0	0	0	0	111.4	I386 E387 M388	T384-I386 VanDerWaalsContact C-N 3.34Å; T384-I386 PolarHBondContact O-N 2.78Å; T384-E387 WeakPolarHBondContact CB-OE2 3.48Å; T384-E387 WeakPolarHBondContact CG2-OE2 3.43Å; T384-E387 PolarHBondContact N-OE2 3.4Å; T384-E387 PolarHBondContact O-N 2.69Å; T384-E387 WeakPolarHBondContact OG1-CB 3.46Å; T384-E387 WeakPolarHBondContact OG1-CG 3.4Å; T384-E387 PolarHBondContact OG1-N 2.87Å; T384-E387 PolarHBondContact OG1-OE2 2.87Å; T384-M388 WeakPolarHBondContact O-CB 3.33Å; T384-M388 PolarHBondContact O-N 3.46Å
385	R	62.9	Low	61.8	Low	235 Å²	235	135.6 Å²	135.6	89%	0.887	64%	0.644	S	S	*	*	H	α-helix	trans	-61.8	-38.6	-177	-73.5	-173.9	-163.5	159.7	5.2	113.3	M388 A389	R385-M388 PolarHBondContact O-N 2.94Å; R385-A389 PolarHBondContact O-N 3.4Å
386	I	60.8	Low	64.1	Low	133 Å²	133	133.8 Å²	133.8	68%	0.682	63%	0.629	S	S	*	*	H	α-helix	trans	-69.4	-43	178.1	-69.5	168.1	0	0	0	109.9	T384 M388 A389 R390	T384-I386 VanDerWaalsContact C-N 3.34Å; T384-I386 PolarHBondContact O-N 2.78Å; I386-M388 VanDerWaalsContact C-N 3.34Å; I386-M388 PolarHBondContact O-N 2.85Å; I386-A389 PolarHBondContact O-N 2.89Å; I386-R390 PolarHBondContact O-N 2.81Å
387	E	68.1	Low	66.3	Low	93 Å²	93	133.6 Å²	133.6	44%	0.435	62%	0.62	S	S	.	*	H	α-helix	trans	-63.9	-40.1	174.4	-67.4	166.9	146.3	0	0	111.4	F383 T384 A389 R390 V391	F383-E387 HydrophobicContact CB-CB 4.22Å; F383-E387 HydrophobicContact CD1-CB 3.83Å; T384-E387 WeakPolarHBondContact CB-OE2 3.48Å; T384-E387 WeakPolarHBondContact CG2-OE2 3.43Å; T384-E387 PolarHBondContact N-OE2 3.4Å; T384-E387 PolarHBondContact O-N 2.69Å; T384-E387 WeakPolarHBondContact OG1-CB 3.46Å; T384-E387 WeakPolarHBondContact OG1-CG 3.4Å; T384-E387 PolarHBondContact OG1-N 2.87Å; T384-E387 PolarHBondContact OG1-OE2 2.87Å; E387-A389 PolarHBondContact O-N 2.88Å; E387-R390 PolarHBondContact O-N 3.47Å; E387-V391 WeakPolarHBondContact O-CB 3.47Å; E387-V391 WeakPolarHBondContact O-CG2 3.5Å; E387-V391 PolarHBondContact O-N 2.71Å
388	M	79	Confident	68.7	Low	85 Å²	85	130.8 Å²	130.8	42%	0.419	60%	0.599	S	S	.	*	H	α-helix	trans	-61.5	-43.5	175.9	-177.5	65.4	74.9	0	0	111.6	F383 T384 R385 I386 V391 L392	F383-M388 HydrophobicContact CB-CB 4.47Å; F383-M388 HydrophobicContact CB-CE 4.33Å; F383-M388 HydrophobicContact CD2-CE 4.45Å; T384-M388 WeakPolarHBondContact O-CB 3.33Å; T384-M388 PolarHBondContact O-N 3.46Å; R385-M388 PolarHBondContact O-N 2.94Å; I386-M388 VanDerWaalsContact C-N 3.34Å; I386-M388 PolarHBondContact O-N 2.85Å; M388-V391 PolarHBondContact O-N 3.44Å; M388-L392 HydrophobicContact CG-CD1 3.94Å; M388-L392 HydrophobicContact CG-CG 4.35Å; M388-L392 VanDerWaalsContact O-CB 3.29Å; M388-L392 WeakPolarHBondContact O-CB 3.37Å; M388-L392 WeakPolarHBondContact O-CG 3.46Å; M388-L392 PolarHBondContact O-N 2.85Å; M388-L392 HydrophobicContact SD-CD1 4.24Å; M388-L392 HydrophobicContact SD-CG 4.19Å
389	A	70.2	Confident	70.5	Confident	49 Å²	49	130.9 Å²	130.9	41%	0.405	58%	0.584	S	S	.	*	H	α-helix	trans	-63.1	-46.5	177.5	0	0	0	0	0	111.5	R385 I386 E387 L392 M393	R385-A389 PolarHBondContact O-N 3.4Å; I386-A389 PolarHBondContact O-N 2.89Å; E387-A389 PolarHBondContact O-N 2.88Å; A389-L392 PolarHBondContact O-N 2.76Å; A389-M393 WeakPolarHBondContact O-CG 2.78Å; A389-M393 PolarHBondContact O-N 2.96Å
390	R	78	Confident	72.7	Confident	180 Å²	180	127.5 Å²	127.5	68%	0.679	57%	0.568	S	S	*	*	H	α-helix	trans	-62.2	-46	176.9	-168.2	-179.1	-74.2	167.6	-5	111.3	I386 E387 L392 M393 E394	I386-R390 PolarHBondContact O-N 2.81Å; E387-R390 PolarHBondContact O-N 3.47Å; R390-L392 VanDerWaalsContact C-N 3.32Å; R390-L392 PolarHBondContact O-N 2.83Å; R390-M393 PolarHBondContact O-N 3.4Å; R390-E394 WeakPolarHBondContact O-CB 3.48Å; R390-E394 PolarHBondContact O-N 3.26Å
391	V	75.6	Confident	75.2	Confident	51 Å²	51	121.2 Å²	121.2	31%	0.309	55%	0.547	S	S	.	.	H	α-helix	trans	-63.6	-35.7	177.2	170	0	0	0	0	111.7	F383 E387 M388 R395	F383-V391 HydrophobicContact CD1-CG2 4.17Å; F383-V391 HydrophobicContact CE1-CG2 3.71Å; F383-V391 HydrophobicContact CZ-CG1 4.5Å; F383-V391 HydrophobicContact CZ-CG2 4.13Å; E387-V391 WeakPolarHBondContact O-CB 3.47Å; E387-V391 WeakPolarHBondContact O-CG2 3.5Å; E387-V391 PolarHBondContact O-N 2.71Å; M388-V391 PolarHBondContact O-N 3.44Å; V391-R395 WeakPolarHBondContact O-CB 3.48Å; V391-R395 PolarHBondContact O-N 3.25Å
392	L	87.6	Confident	77.1	Confident	75 Å²	75	115.6 Å²	115.6	39%	0.393	53%	0.527	S	S	.	.	H	α-helix	trans	-71.5	-43.2	176.2	-77.5	172.7	0	0	0	112.3	M388 A389 R390 R395 N396	M388-L392 HydrophobicContact CG-CD1 3.94Å; M388-L392 HydrophobicContact CG-CG 4.35Å; M388-L392 VanDerWaalsContact O-CB 3.29Å; M388-L392 WeakPolarHBondContact O-CB 3.37Å; M388-L392 WeakPolarHBondContact O-CG 3.46Å; M388-L392 PolarHBondContact O-N 2.85Å; M388-L392 HydrophobicContact SD-CD1 4.24Å; M388-L392 HydrophobicContact SD-CG 4.19Å; A389-L392 PolarHBondContact O-N 2.76Å; R390-L392 VanDerWaalsContact C-N 3.32Å; R390-L392 PolarHBondContact O-N 2.83Å; L392-R395 PolarHBondContact O-N 2.86Å; L392-N396 WeakPolarHBondContact O-CB 3.4Å; L392-N396 VanDerWaalsContact O-CG 3.26Å; L392-N396 PolarHBondContact O-N 3.43Å
393	M	81	Confident	78.9	Confident	141 Å²	141	109.2 Å²	109.2	70%	0.695	51%	0.509	S	S	*	.	H	α-helix	trans	-61.2	-47.7	174.3	-74.2	179.3	65.2	0	0	110.8	A389 R390 N396 Q397	A389-M393 WeakPolarHBondContact O-CG 2.78Å; A389-M393 PolarHBondContact O-N 2.96Å; R390-M393 PolarHBondContact O-N 3.4Å; M393-N396 PolarHBondContact O-N 3.38Å; M393-Q397 WeakPolarHBondContact O-CB 3.43Å; M393-Q397 PolarHBondContact O-N 2.86Å
394	E	90.8	Very high	80.3	Confident	83 Å²	83	109.1 Å²	109.1	39%	0.388	51%	0.51	S	S	.	.	H	α-helix	trans	-64.5	-41.9	178.9	-160	-173.2	178.2	0	0	111.3	R390 N396 Q397 Y398	R390-E394 WeakPolarHBondContact O-CB 3.48Å; R390-E394 PolarHBondContact O-N 3.26Å; E394-N396 VanDerWaalsContact C-N 3.35Å; E394-N396 PolarHBondContact O-N 2.82Å; E394-Q397 PolarHBondContact O-N 2.95Å; E394-Y398 HydrophobicContact CG-CD2 3.92Å; E394-Y398 HydrophobicContact CG-CE2 3.42Å; E394-Y398 VanDerWaalsContact CG-CE2 3.42Å; E394-Y398 WeakPolarHBondContact O-CD2 3.44Å; E394-Y398 PolarHBondContact O-N 3.34Å; E394-Y398 WeakPolarHBondContact OE1-CE2 3.47Å; E394-Y398 PolarHBondContact OE1-OH 2.9Å
395	R	89.6	Confident	81.5	Confident	139 Å²	139	110.7 Å²	110.7	53%	0.525	52%	0.515	S	S	.	.	H	α-helix	trans	-61	-42.3	173	-176.3	-165.9	-176.5	-165.2	1.5	111.8	V391 L392 Y398 K399	V391-R395 WeakPolarHBondContact O-CB 3.48Å; V391-R395 PolarHBondContact O-N 3.25Å; L392-R395 PolarHBondContact O-N 2.86Å; R395-Y398 PolarHBondContact O-N 3.49Å; R395-K399 HydrophobicContact CG-CD 4.43Å; R395-K399 WeakPolarHBondContact O-CB 3.38Å; R395-K399 VanDerWaalsContact O-CG 3.3Å; R395-K399 WeakPolarHBondContact O-CG 3.37Å; R395-K399 PolarHBondContact O-N 3.35Å
396	N	86.5	Confident	82.2	Confident	91 Å²	91	105 Å²	105	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-67.8	-41	179.4	-76.5	-9.5	0	0	0	110.8	L392 M393 E394 Y398 K399 E400	L392-N396 WeakPolarHBondContact O-CB 3.4Å; L392-N396 VanDerWaalsContact O-CG 3.26Å; L392-N396 PolarHBondContact O-N 3.43Å; M393-N396 PolarHBondContact O-N 3.38Å; E394-N396 VanDerWaalsContact C-N 3.35Å; E394-N396 PolarHBondContact O-N 2.82Å; N396-Y398 PolarHBondContact O-N 2.86Å; N396-K399 WeakPolarHBondContact O-CB 3.24Å; N396-K399 PolarHBondContact O-N 3.39Å; N396-E400 WeakPolarHBondContact O-CB 3.43Å; N396-E400 PolarHBondContact O-N 2.76Å
397	Q	89.1	Confident	82.9	Confident	96 Å²	96	105.2 Å²	105.2	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-61.3	-44.1	173.3	-170.2	-177.4	19.7	0	0	111.8	M393 E394 K399 E400 K401	M393-Q397 WeakPolarHBondContact O-CB 3.43Å; M393-Q397 PolarHBondContact O-N 2.86Å; E394-Q397 PolarHBondContact O-N 2.95Å; Q397-K399 VanDerWaalsContact C-N 3.34Å; Q397-E400 PolarHBondContact O-N 2.97Å; Q397-K401 WeakPolarHBondContact O-CB 3.5Å; Q397-K401 WeakPolarHBondContact O-CG 3.48Å; Q397-K401 PolarHBondContact O-N 3.24Å
398	Y	91.4	Very high	83.4	Confident	134 Å²	134	103 Å²	103	53%	0.525	49%	0.494	S	S	.	.	H	α-helix	trans	-68.8	-31	174.8	-72.4	-54.8	0	0	0	112.8	E394 R395 N396 L402	E394-Y398 HydrophobicContact CG-CD2 3.92Å; E394-Y398 HydrophobicContact CG-CE2 3.42Å; E394-Y398 VanDerWaalsContact CG-CE2 3.42Å; E394-Y398 WeakPolarHBondContact O-CD2 3.44Å; E394-Y398 PolarHBondContact O-N 3.34Å; E394-Y398 WeakPolarHBondContact OE1-CE2 3.47Å; E394-Y398 PolarHBondContact OE1-OH 2.9Å; R395-Y398 PolarHBondContact O-N 3.49Å; N396-Y398 PolarHBondContact O-N 2.86Å; Y398-L402 WeakPolarHBondContact O-CB 3.45Å; Y398-L402 PolarHBondContact O-N 3.24Å
399	K	86.7	Confident	83.4	Confident	90 Å²	90	102.4 Å²	102.4	39%	0.391	50%	0.495	S	S	.	.	H	α-helix	trans	-67.9	-41.6	173.4	-83.2	177.2	172.1	-174.1	0	112	R395 N396 Q397 L402 M403	R395-K399 HydrophobicContact CG-CD 4.43Å; R395-K399 WeakPolarHBondContact O-CB 3.38Å; R395-K399 VanDerWaalsContact O-CG 3.3Å; R395-K399 WeakPolarHBondContact O-CG 3.37Å; R395-K399 PolarHBondContact O-N 3.35Å; N396-K399 WeakPolarHBondContact O-CB 3.24Å; N396-K399 PolarHBondContact O-N 3.39Å; Q397-K399 VanDerWaalsContact C-N 3.34Å; K399-L402 PolarHBondContact O-N 2.74Å; K399-M403 WeakPolarHBondContact O-CB 3.48Å; K399-M403 WeakPolarHBondContact O-CG 3.29Å; K399-M403 PolarHBondContact O-N 3.36Å
400	E	83.8	Confident	83.9	Confident	114 Å²	114	107.3 Å²	107.3	53%	0.533	51%	0.507	S	S	.	.	H	α-helix	trans	-63	-52.4	175.3	-172.6	171	-152.8	0	0	109.9	N396 Q397 L402 M403 E404	N396-E400 WeakPolarHBondContact O-CB 3.43Å; N396-E400 PolarHBondContact O-N 2.76Å; Q397-E400 PolarHBondContact O-N 2.97Å; E400-L402 VanDerWaalsContact C-N 3.28Å; E400-L402 PolarHBondContact O-N 2.83Å; E400-M403 PolarHBondContact O-N 3.41Å; E400-M403 VanDerWaalsContact O-N 3.09Å; E400-E404 WeakPolarHBondContact O-CG 3.4Å; E400-E404 PolarHBondContact O-N 3.08Å
401	K	89.8	Confident	83.4	Confident	108 Å²	108	106.4 Å²	106.4	47%	0.47	50%	0.504	S	S	.	.	H	α-helix	trans	-58.3	-37.4	173.8	-73.4	-176.3	177.7	-178.4	0	113.2	Q397 L405	Q397-K401 WeakPolarHBondContact O-CB 3.5Å; Q397-K401 WeakPolarHBondContact O-CG 3.48Å; Q397-K401 PolarHBondContact O-N 3.24Å; K401-L405 WeakPolarHBondContact O-CB 3.41Å; K401-L405 PolarHBondContact O-N 3.43Å
402	L	91	Very high	83.3	Confident	92 Å²	92	108 Å²	108	48%	0.482	51%	0.514	S	S	.	.	H	α-helix	trans	-69.4	-40.1	176.8	-179	66.6	0	0	0	111.3	Y398 K399 E400 L405 Q406	Y398-L402 WeakPolarHBondContact O-CB 3.45Å; Y398-L402 PolarHBondContact O-N 3.24Å; K399-L402 PolarHBondContact O-N 2.74Å; E400-L402 VanDerWaalsContact C-N 3.28Å; E400-L402 PolarHBondContact O-N 2.83Å; L402-L405 PolarHBondContact O-N 2.93Å; L402-Q406 HydrophobicContact CD1-CG 4.24Å; L402-Q406 HydrophobicContact CG-CG 4.35Å; L402-Q406 VanDerWaalsContact O-CB 3.22Å; L402-Q406 WeakPolarHBondContact O-CB 3.42Å; L402-Q406 WeakPolarHBondContact O-CG 3.32Å; L402-Q406 PolarHBondContact O-N 2.91Å
403	M	81	Confident	82.2	Confident	110 Å²	110	109.2 Å²	109.2	54%	0.542	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-47.3	173.7	-79.8	-172.2	-62.5	0	0	110.7	K399 E400 L405 Q406 E407	K399-M403 WeakPolarHBondContact O-CB 3.48Å; K399-M403 WeakPolarHBondContact O-CG 3.29Å; K399-M403 PolarHBondContact O-N 3.36Å; E400-M403 PolarHBondContact O-N 3.41Å; E400-M403 VanDerWaalsContact O-N 3.09Å; M403-L405 VanDerWaalsContact C-N 3.33Å; M403-L405 PolarHBondContact O-N 3.31Å; M403-Q406 PolarHBondContact O-N 3.28Å; M403-E407 WeakPolarHBondContact O-CB 3.45Å; M403-E407 WeakPolarHBondContact O-CG 3.37Å; M403-E407 PolarHBondContact O-N 2.94Å
404	E	83.2	Confident	81.6	Confident	112 Å²	112	106.4 Å²	106.4	52%	0.523	50%	0.504	S	S	.	.	H	α-helix	trans	-58.1	-45.1	175.1	-72.1	176.2	170.8	0	0	111.6	E400 E407 A408	E400-E404 WeakPolarHBondContact O-CG 3.4Å; E400-E404 PolarHBondContact O-N 3.08Å; E404-E407 PolarHBondContact O-N 3.49Å; E404-A408 VanDerWaalsContact O-CB 3.3Å; E404-A408 WeakPolarHBondContact O-CB 3.4Å; E404-A408 PolarHBondContact O-N 2.86Å
405	L	86.8	Confident	80.4	Confident	113 Å²	113	105 Å²	105	59%	0.592	50%	0.498	S	S	*	.	H	α-helix	trans	-69.5	-37.3	179.3	-158	78.5	0	0	0	111.5	K401 L402 M403 A408 V409	K401-L405 WeakPolarHBondContact O-CB 3.41Å; K401-L405 PolarHBondContact O-N 3.43Å; L402-L405 PolarHBondContact O-N 2.93Å; M403-L405 VanDerWaalsContact C-N 3.33Å; M403-L405 PolarHBondContact O-N 3.31Å; L405-A408 PolarHBondContact O-N 3.4Å; L405-V409 HydrophobicContact CG-CG2 4.49Å; L405-V409 VanDerWaalsContact O-CB 3.28Å; L405-V409 WeakPolarHBondContact O-CB 3.37Å; L405-V409 WeakPolarHBondContact O-CG2 3.41Å; L405-V409 PolarHBondContact O-N 3.31Å
406	Q	77.2	Confident	79.3	Confident	115 Å²	115	105 Å²	105	54%	0.537	50%	0.498	S	S	.	.	H	α-helix	trans	-65.8	-39.3	174	-78.2	175.4	-12.1	0	0	111.5	L402 M403 K410	L402-Q406 HydrophobicContact CD1-CG 4.24Å; L402-Q406 HydrophobicContact CG-CG 4.35Å; L402-Q406 VanDerWaalsContact O-CB 3.22Å; L402-Q406 WeakPolarHBondContact O-CB 3.42Å; L402-Q406 WeakPolarHBondContact O-CG 3.32Å; L402-Q406 PolarHBondContact O-N 2.91Å; M403-Q406 PolarHBondContact O-N 3.28Å; Q406-K410 WeakPolarHBondContact O-CB 3.37Å; Q406-K410 PolarHBondContact O-N 3.01Å
407	E	75.8	Confident	77.5	Confident	138 Å²	138	104 Å²	104	65%	0.645	50%	0.502	S	S	*	.	H	α-helix	trans	-65.1	-44.6	173.3	-75.1	-179.5	176.8	0	0	111.3	M403 E404 K410 W411	M403-E407 WeakPolarHBondContact O-CB 3.45Å; M403-E407 WeakPolarHBondContact O-CG 3.37Å; M403-E407 PolarHBondContact O-N 2.94Å; E404-E407 PolarHBondContact O-N 3.49Å; E407-K410 PolarHBondContact O-N 2.84Å; E407-W411 VanDerWaalsContact O-CB 3.26Å; E407-W411 WeakPolarHBondContact O-CB 3.1Å; E407-W411 PolarHBondContact O-N 2.82Å
408	A	78.6	Confident	75.6	Confident	47 Å²	47	103.2 Å²	103.2	39%	0.388	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-42.4	177.1	0	0	0	0	0	112.7	E404 L405 W411 T412	E404-A408 VanDerWaalsContact O-CB 3.3Å; E404-A408 WeakPolarHBondContact O-CB 3.4Å; E404-A408 PolarHBondContact O-N 2.86Å; L405-A408 PolarHBondContact O-N 3.4Å; A408-W411 PolarHBondContact O-N 2.97Å; A408-T412 WeakPolarHBondContact O-CB 3.26Å; A408-T412 PolarHBondContact O-N 3.44Å; A408-T412 PolarHBondContact O-OG1 2.91Å
409	V	78.9	Confident	73.4	Confident	73 Å²	73	106.7 Å²	106.7	44%	0.442	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-45.5	174.5	168.5	0	0	0	0	109.7	L405 W411 T412 E413	L405-V409 HydrophobicContact CG-CG2 4.49Å; L405-V409 VanDerWaalsContact O-CB 3.28Å; L405-V409 WeakPolarHBondContact O-CB 3.37Å; L405-V409 WeakPolarHBondContact O-CG2 3.41Å; L405-V409 PolarHBondContact O-N 3.31Å; V409-W411 VanDerWaalsContact C-N 3.3Å; V409-W411 PolarHBondContact O-N 3.4Å; V409-T412 PolarHBondContact O-N 3.43Å; V409-E413 HydrophobicContact CG1-CG 4.22Å; V409-E413 WeakPolarHBondContact O-CB 3.45Å; V409-E413 WeakPolarHBondContact O-CG 3.38Å; V409-E413 PolarHBondContact O-N 2.86Å
410	K	80.8	Confident	71.4	Confident	152 Å²	152	107.2 Å²	107.2	66%	0.661	53%	0.531	S	S	*	.	H	α-helix	trans	-61.1	-39.9	176.1	-175.7	-178.5	178.6	-174.4	0	111.7	Q406 E407 M414	Q406-K410 WeakPolarHBondContact O-CB 3.37Å; Q406-K410 PolarHBondContact O-N 3.01Å; E407-K410 PolarHBondContact O-N 2.84Å; K410-M414 WeakPolarHBondContact O-CB 3.44Å; K410-M414 PolarHBondContact O-N 3Å
411	W	67	Low	69.2	Low	160 Å²	160	108.7 Å²	108.7	61%	0.606	54%	0.543	S	S	*	.	H	α-helix	trans	-66.5	-43.9	176	-169.8	86.3	0	0	0	111.8	E407 A408 V409 M414 I415	E407-W411 VanDerWaalsContact O-CB 3.26Å; E407-W411 WeakPolarHBondContact O-CB 3.1Å; E407-W411 PolarHBondContact O-N 2.82Å; A408-W411 PolarHBondContact O-N 2.97Å; V409-W411 VanDerWaalsContact C-N 3.3Å; V409-W411 PolarHBondContact O-N 3.4Å; W411-M414 HydrophobicContact CB-CE 4.46Å; W411-M414 HydrophobicContact CG-CE 4.44Å; W411-M414 WeakPolarHBondContact O-CB 3.37Å; W411-M414 PolarHBondContact O-N 3.39Å; W411-I415 HydrophobicContact CD2-CD1 3.65Å; W411-I415 HydrophobicContact CE3-CD1 3.34Å; W411-I415 HydrophobicContact CH2-CD1 3.27Å; W411-I415 HydrophobicContact CZ2-CD1 3.57Å; W411-I415 HydrophobicContact CZ3-CD1 3.15Å; W411-I415 WeakPolarHBondContact O-CG1 3.34Å; W411-I415 PolarHBondContact O-N 2.83Å
412	T	73.4	Confident	66.5	Low	84 Å²	84	109.4 Å²	109.4	52%	0.515	56%	0.558	S	S	.	*	H	α-helix	trans	-67.2	-41.3	177.3	-52.8	0	0	0	0	111.7	A408 V409 M414 I415 R416	A408-T412 WeakPolarHBondContact O-CB 3.26Å; A408-T412 PolarHBondContact O-N 3.44Å; A408-T412 PolarHBondContact O-OG1 2.91Å; V409-T412 PolarHBondContact O-N 3.43Å; T412-M414 VanDerWaalsContact C-N 3.33Å; T412-I415 PolarHBondContact O-N 3.04Å; T412-R416 WeakPolarHBondContact O-CB 3.46Å; T412-R416 PolarHBondContact O-N 3.17Å
413	E	63.9	Low	63.6	Low	101 Å²	101	109.5 Å²	109.5	47%	0.472	57%	0.567	S	S	.	*	H	α-helix	trans	-66.6	-35.9	174.5	-74.8	-155.1	129.4	0	0	112.1	V409 I415 R416 A417	V409-E413 HydrophobicContact CG1-CG 4.22Å; V409-E413 WeakPolarHBondContact O-CB 3.45Å; V409-E413 WeakPolarHBondContact O-CG 3.38Å; V409-E413 PolarHBondContact O-N 2.86Å; E413-I415 VanDerWaalsContact C-N 3.33Å; E413-R416 PolarHBondContact O-N 3.5Å; E413-R416 IonicContact OE1-NH2 3.86Å; E413-R416 PolarHBondContact OE1-NH2 3.34Å; E413-A417 WeakPolarHBondContact O-CB 3.28Å; E413-A417 PolarHBondContact O-N 3.18Å
414	M	67.9	Low	61.5	Low	83 Å²	83	112.5 Å²	112.5	41%	0.409	58%	0.584	S	S	.	*	H	α-helix	trans	-62.5	-40.6	173.1	174.9	166.7	39.9	0	0	111.4	K410 W411 T412 S418	K410-M414 WeakPolarHBondContact O-CB 3.44Å; K410-M414 PolarHBondContact O-N 3Å; W411-M414 HydrophobicContact CB-CE 4.46Å; W411-M414 HydrophobicContact CG-CE 4.44Å; W411-M414 WeakPolarHBondContact O-CB 3.37Å; W411-M414 PolarHBondContact O-N 3.39Å; T412-M414 VanDerWaalsContact C-N 3.33Å; M414-S418 WeakPolarHBondContact O-CB 3.35Å; M414-S418 PolarHBondContact O-N 3.37Å; M414-S418 PolarHBondContact O-OG 2.61Å
415	I	65.6	Low	58.8	Low	52 Å²	52	114.9 Å²	114.9	27%	0.267	59%	0.593	S	S	.	*	H	α-helix	trans	-70.1	-40.2	173.7	-67.1	167.3	0	0	0	112	W411 T412 E413 S418 R419	W411-I415 HydrophobicContact CD2-CD1 3.65Å; W411-I415 HydrophobicContact CE3-CD1 3.34Å; W411-I415 HydrophobicContact CH2-CD1 3.27Å; W411-I415 HydrophobicContact CZ2-CD1 3.57Å; W411-I415 HydrophobicContact CZ3-CD1 3.15Å; W411-I415 WeakPolarHBondContact O-CG1 3.34Å; W411-I415 PolarHBondContact O-N 2.83Å; T412-I415 PolarHBondContact O-N 3.04Å; E413-I415 VanDerWaalsContact C-N 3.33Å; I415-S418 WeakPolarHBondContact CA-OG 3.44Å; I415-S418 PolarHBondContact O-N 3.12Å; I415-S418 PolarHBondContact O-OG 3.15Å; I415-R419 WeakPolarHBondContact O-CG 3.4Å; I415-R419 PolarHBondContact O-N 3.34Å
416	R	66.3	Low	56	Low	139 Å²	139	119.9 Å²	119.9	53%	0.525	60%	0.603	S	S	.	*	H	α-helix	trans	-65.8	-42.1	178.5	-175.3	174.5	63.1	98.1	-3.4	111	T412 E413 R419 T420	T412-R416 WeakPolarHBondContact O-CB 3.46Å; T412-R416 PolarHBondContact O-N 3.17Å; E413-R416 PolarHBondContact O-N 3.5Å; E413-R416 IonicContact OE1-NH2 3.86Å; E413-R416 PolarHBondContact OE1-NH2 3.34Å; R416-R419 PolarHBondContact O-N 3.24Å; R416-T420 PolarHBondContact O-OG1 3.21Å
417	A	49.7	Very low	53.7	Low	70 Å²	70	124.2 Å²	124.2	58%	0.579	62%	0.621	S	S	*	*	H	α-helix	trans	-68	-33.4	176.9	0	0	0	0	0	112.3	E413 R419	E413-A417 WeakPolarHBondContact O-CB 3.28Å; E413-A417 PolarHBondContact O-N 3.18Å; A417-R419 VanDerWaalsContact C-N 3.27Å; A417-R419 PolarHBondContact O-N 2.74Å
418	S	49.3	Very low	51.4	Low	80 Å²	80	129.4 Å²	129.4	56%	0.559	63%	0.634	S	S	*	*	H	α-helix	trans	-71.4	-19.7	175.5	69.6	0	0	0	0	113.5	M414 I415	M414-S418 WeakPolarHBondContact O-CB 3.35Å; M414-S418 PolarHBondContact O-N 3.37Å; M414-S418 PolarHBondContact O-OG 2.61Å; I415-S418 WeakPolarHBondContact CA-OG 3.44Å; I415-S418 PolarHBondContact O-N 3.12Å; I415-S418 PolarHBondContact O-OG 3.15Å
419	R	45.3	Very low	49.3	Very low	207 Å²	207	130 Å²	130	78%	0.781	65%	0.645	S	S	*	*	H	α-helix	trans	-91.6	-13.8	-178.9	-73.1	-179.7	176.1	-159.4	-1.8	115	I415 R416 A417	I415-R419 WeakPolarHBondContact O-CG 3.4Å; I415-R419 PolarHBondContact O-N 3.34Å; R416-R419 PolarHBondContact O-N 3.24Å; A417-R419 VanDerWaalsContact C-N 3.27Å; A417-R419 PolarHBondContact O-N 2.74Å
420	T	44.7	Very low	47.1	Very low	102 Å²	102	131 Å²	131	63%	0.626	66%	0.655	S	S	*	*			trans	-112.1	84.1	-174.6	51.6	0	0	0	0	111.8	R416	R416-T420 PolarHBondContact O-OG1 3.21Å
421	D	37.8	Very low	45.3	Very low	145 Å²	145	129.2 Å²	129.2	78%	0.775	65%	0.652	S	S	*	*			trans	-90.2	124.3	167.1	-171.6	12	0	0	0	110.7	S423	D421-S423 PolarHBondContact O-N 3.24Å
422	P	32.8	Very low	44	Very low	123 Å²	123	131 Å²	131	80%	0.799	66%	0.659	S	S	*	*			trans	-99.9	82.5	-173.1	37.5	-31.1	0	0	0	112.4
423	S	30.5	Very low	42.8	Very low	94 Å²	94	132.9 Å²	132.9	66%	0.657	67%	0.665	S	S	*	*			trans	-114.9	-1.2	162.7	69.3	0	0	0	0	114.6	D421 K425	D421-S423 PolarHBondContact O-N 3.24Å; S423-K425 PolarHBondContact O-N 2.92Å
424	L	35.5	Very low	42.1	Very low	172 Å²	172	135.3 Å²	135.3	90%	0.901	68%	0.675	S	S	*	*			trans	-100.4	90.5	178.3	-75.4	164.8	0	0	0	113.4
425	K	27.7	Very low	40.6	Very low	163 Å²	163	137 Å²	137	71%	0.709	68%	0.68	S	S	*	*			trans	-15.9	133.9	147.8	-70.9	172.2	179.7	165.8	0	116.2	S423	S423-K425 PolarHBondContact O-N 2.92Å
426	R	27.4	Very low	39.5	Very low	217 Å²	217	138 Å²	138	82%	0.819	69%	0.691	S	S	*	*			trans	75.6	116.1	137.8	-67.2	173.8	-178.1	145.6	-0.7	118.7
427	K	29	Very low	38.4	Very low	207 Å²	207	134.3 Å²	134.3	90%	0.9	70%	0.697	S	S	*	*			trans	50.7	87.7	140.3	-69.9	-172.1	175.7	-176	0	116.8
428	R	27.3	Very low	37.9	Very low	247 Å²	247	136.4 Å²	136.4	93%	0.932	70%	0.698	S	S	*	*				-163.4	117.5	126	-127.1	175.8	173.7	174.8	-3.4	108.9	S430	R428-S430 PolarHBondContact O-N 3.1Å
429	G	33.9	Very low	37.3	Very low	60 Å²	60	141.7 Å²	141.7	62%	0.619	71%	0.711	S	S	*	*			trans	-60.6	131.3	174	0	0	0	0	0	110.1
430	S	32.9	Very low	36.4	Very low	93 Å²	93	137 Å²	137	65%	0.65	71%	0.71	S	S	*	*			trans	-153.8	122.9	165.3	-167.5	0	0	0	0	107.9	R428 W432	R428-S430 PolarHBondContact O-N 3.1Å; S430-W432 PolarHBondContact O-N 3.27Å; S430-W432 VanDerWaalsContact O-N 3.08Å
431	I	42.7	Very low	35.7	Very low	115 Å²	115	138.2 Å²	138.2	59%	0.59	72%	0.722	S	S	*	*	S	Bend	trans	75.1	-41.6	169	-66	165.1	0	0	0	118.1	D433 F434 F435	I431-D433 PolarHBondContact O-N 3.45Å; I431-F434 WeakPolarHBondContact O-CB 3.45Å; I431-F434 PolarHBondContact O-N 2.93Å; I431-F435 HydrophobicContact CG2-CE2 4.36Å
432	W	40.9	Very low	35.5	Very low	198 Å²	198	134.5 Å²	134.5	75%	0.75	72%	0.719	S	S	*	*	H	α-helix	trans	-73.4	-29.5	-179	-75.9	100	0	0	0	114.4	S430 F434 F435 S436	S430-W432 PolarHBondContact O-N 3.27Å; S430-W432 VanDerWaalsContact O-N 3.08Å; W432-F434 PolarHBondContact O-N 2.92Å; W432-F435 PolarHBondContact O-N 2.88Å; W432-S436 PolarHBondContact O-N 3.04Å
433	D	47.4	Very low	35.3	Very low	122 Å²	122	136.5 Å²	136.5	65%	0.652	72%	0.723	S	S	*	*	H	α-helix	trans	-68	-18.1	174.5	-65.7	-35.3	0	0	0	112.7	I431 S436	I431-D433 PolarHBondContact O-N 3.45Å; D433-S436 PolarHBondContact O-OG 3.39Å
434	F	50.7	Low	35.5	Very low	153 Å²	153	137.2 Å²	137.2	67%	0.671	73%	0.725	S	S	*	*	H	α-helix	trans	-77.7	-37.5	177.3	-174.1	-98.2	0	0	0	112.2	I431 W432	I431-F434 WeakPolarHBondContact O-CB 3.45Å; I431-F434 PolarHBondContact O-N 2.93Å; W432-F434 PolarHBondContact O-N 2.92Å
435	F	35.6	Very low	35	Very low	118 Å²	118	134.4 Å²	134.4	52%	0.518	72%	0.72	S	S	.	*	H	α-helix	trans	-83.4	-26.4	-176.9	-77.1	-79.4	0	0	0	113.9	I431 W432 G437 L438	I431-F435 HydrophobicContact CG2-CE2 4.36Å; W432-F435 PolarHBondContact O-N 2.88Å; F435-G437 VanDerWaalsContact C-N 3.26Å; F435-G437 PolarHBondContact O-N 3.13Å; F435-L438 PolarHBondContact O-N 2.68Å
436	S	42	Very low	35.1	Very low	72 Å²	72	132 Å²	132	50%	0.503	72%	0.721	S	S	.	*	H	α-helix	trans	-69.5	-23.1	176.6	59.3	0	0	0	0	113.2	W432 D433 L438	W432-S436 PolarHBondContact O-N 3.04Å; D433-S436 PolarHBondContact O-OG 3.39Å; S436-L438 VanDerWaalsContact C-N 3.3Å; S436-L438 PolarHBondContact O-N 3.18Å
437	G	43.5	Very low	34.9	Very low	62 Å²	62	127 Å²	127	64%	0.639	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-15.8	175.1	0	0	0	0	0	115	F435	F435-G437 VanDerWaalsContact C-N 3.26Å; F435-G437 PolarHBondContact O-N 3.13Å
438	L	38.6	Very low	34.7	Very low	115 Å²	115	122.6 Å²	122.6	60%	0.602	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-14	-177	-82.7	164.6	0	0	0	114.2	F435 S436	F435-L438 PolarHBondContact O-N 2.68Å; S436-L438 VanDerWaalsContact C-N 3.3Å; S436-L438 PolarHBondContact O-N 3.18Å
439	F	36.8	Very low	34.5	Very low	191 Å²	191	114.1 Å²	114.1	84%	0.838	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.7	7	-177.9	-64.6	-72.3	0	0	0	115.8
440	S	27.4	Very low	34.1	Very low	108 Å²	108	120.3 Å²	120.3	76%	0.755	72%	0.716	S	S	*	*			trans	-113	93.1	168.7	-85.5	0	0	0	0	112.1
441	S	29.7	Very low	33.8	Very low	127 Å²	127	121 Å²	121	89%	0.888	72%	0.721	S	S	*	*			trans	-90.3	112.7	155.5	-178.8	0	0	0	0	108.8
442	G	32.5	Very low	33	Very low	68 Å²	68	121.5 Å²	121.5	70%	0.701	73%	0.729	S	S	*	*			trans	91.6	92.7	150.7	0	0	0	0	0	118.9
443	N	29.5	Very low	32.3	Very low	165 Å²	165	117.7 Å²	117.7	88%	0.882	73%	0.728	S	S	*	*				33.4	156.4	119.7	-92.4	14.3	0	0	0	123.3
444	P	34.1	Very low	31.2	Very low	108 Å²	108	119.6 Å²	119.6	70%	0.701	73%	0.733	S	S	*	*				-118.5	-176.4	-124.1	43.2	-34.4	0	0	0	115.5
445	S	26	Very low	29.9	Very low	114 Å²	114	120.2 Å²	120.2	80%	0.797	74%	0.742	S	S	*	*			trans	113.5	160.6	155.2	87.1	0	0	0	0	116
446	P	29.3	Very low	29.4	Very low	113 Å²	113	124.1 Å²	124.1	73%	0.734	75%	0.753	S	S	*	*				-127	173.8	-111.2	28.4	-5	0	0	0	115
447	S	23.5	Very low	28.6	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	77%	0.774	S	S	*	*			trans	123.5	127	146.2	73.2	0	0	0	0	118.8
448	S	24.3	Very low	27.8	Very low	115 Å²	115	135.8 Å²	135.8	80%	0.804	78%	0.779	S	S	*	*			trans	62.6	100.6	151.5	63.9	0	0	0	0	121.3
449	G	23.2	Very low	27.3	Very low	69 Å²	69	134.7 Å²	134.7	71%	0.711	79%	0.787	S	S	*	*				70.8	113.5	119.6	0	0	0	0	0	119.2
450	H	26.3	Very low	26.9	Very low	190 Å²	190	131.8 Å²	131.8	88%	0.88	79%	0.787	S	S	*	*				171.1	134.6	120.2	-95.9	-73.4	0	0	0	113.6
451	S	25.2	Very low	26.9	Very low	107 Å²	107	133.9 Å²	133.9	75%	0.748	79%	0.79	S	S	*	*			trans	61.4	102.2	146.2	64	0	0	0	0	120.4
452	V	27.1	Very low	26.8	Very low	125 Å²	125	136 Å²	136	76%	0.758	78%	0.783	S	S	*	*			trans	-76.4	126.3	166.1	178.6	0	0	0	0	110.8
453	V	25	Very low	26.6	Very low	119 Å²	119	140.6 Å²	140.6	72%	0.721	79%	0.786	S	S	*	*			trans	-79	116.3	179.4	176	0	0	0	0	110.3
454	Q	24.6	Very low	26.4	Very low	162 Å²	162	140 Å²	140	76%	0.757	78%	0.782	S	S	*	*			trans	-79.2	115.5	169.1	-82.9	-176.3	-14.9	0	0	110.7	R456	Q454-R456 PolarHBondContact O-N 3.11Å
455	L	24.6	Very low	26.1	Very low	166 Å²	166	141 Å²	141	87%	0.869	79%	0.786	S	S	*	*			trans	-78.2	104.5	164	-88.4	90.1	0	0	0	109.8
456	R	25.2	Very low	26.3	Very low	199 Å²	199	141.7 Å²	141.7	75%	0.751	79%	0.788	S	S	*	*			trans	-104.7	131	161.8	-82.9	-167.4	179.4	169.9	0.5	110	Q454	Q454-R456 PolarHBondContact O-N 3.11Å
457	Y	24.4	Very low	26.3	Very low	240 Å²	240	142.1 Å²	142.1	94%	0.941	79%	0.794	S	S	*	*			trans	-85.9	103.6	169.9	-130.4	-99.4	0	0	0	108.2
458	N	26.4	Very low	26.4	Very low	139 Å²	139	142.9 Å²	142.9	74%	0.743	80%	0.8	S	S	*	*			trans	-114.4	121.1	173.8	-88.7	-9	0	0	0	109.8
459	A	28.4	Very low	26.6	Very low	93 Å²	93	140.7 Å²	140.7	77%	0.769	80%	0.795	S	S	*	*			trans	-70.9	146.3	167.2	0	0	0	0	0	110.5	N461	A459-N461 PolarHBondContact O-N 3.29Å
460	P	27.4	Very low	26.6	Very low	130 Å²	130	148 Å²	148	84%	0.844	81%	0.807	S	S	*	*			trans	-87	111.2	-167.1	32.1	-30.9	0	0	0	111.9
461	N	28.2	Very low	26.7	Very low	152 Å²	152	145.7 Å²	145.7	81%	0.813	81%	0.806	S	S	*	*			trans	-149.7	155.9	151.8	-142.7	-7.4	0	0	0	113.3	A459	A459-N461 PolarHBondContact O-N 3.29Å
462	K	27.8	Very low	26.8	Very low	171 Å²	171	144.8 Å²	144.8	74%	0.743	81%	0.805	S	S	*	*			trans	-75.1	150.1	-149.8	-70.4	165	172.9	176	0	117.2
463	Q	28	Very low	26.7	Very low	164 Å²	164	144.7 Å²	144.7	77%	0.766	81%	0.807	S	S	*	*			trans	75.2	108.2	147.8	-70	168.8	-33.5	0	0	118
464	L	25.7	Very low	26.5	Very low	153 Å²	153	145.5 Å²	145.5	80%	0.801	82%	0.817	S	S	*	*				67.4	121.6	96.4	-69.7	173.1	0	0	0	111.9
465	T	27.9	Very low	26.7	Very low	128 Å²	128	143 Å²	143	79%	0.785	82%	0.817	S	S	*	*			cis	-166.9	171.7	33.9	37.8	0	0	0	0	110.3
466	P	29.9	Very low	26.9	Very low	129 Å²	129	140 Å²	140	84%	0.838	81%	0.81	S	S	*	*			trans	-100.4	142.3	-158.3	37	-29.3	0	0	0	114
467	S	29.1	Very low	26.8	Very low	122 Å²	122	136.5 Å²	136.5	85%	0.853	81%	0.811	S	S	*	*			trans	-134.1	131.6	158.8	67.1	0	0	0	0	110.9
468	S	26.8	Very low	27	Very low	128 Å²	128	135.1 Å²	135.1	90%	0.895	81%	0.81	S	S	*	*			trans	-70.6	120.6	-175.7	54.9	0	0	0	0	111.9
469	G	27.7	Very low	27.2	Very low	69 Å²	69	136.5 Å²	136.5	71%	0.711	82%	0.816	S	S	*	*			trans	-144.7	109.4	167	0	0	0	0	0	109.5	V471	G469-V471 PolarHBondContact O-N 3.36Å
470	K	23.9	Very low	27.2	Very low	221 Å²	221	141.1 Å²	141.1	96%	0.961	82%	0.819	S	S	*	*			trans	-68	106.8	176.9	-68.4	172.5	176	177.3	0	109.5
471	V	27.6	Very low	27.4	Very low	142 Å²	142	139 Å²	139	86%	0.861	81%	0.812	S	S	*	*			trans	-136.1	121.1	158.7	-177.4	0	0	0	0	108	G469	G469-V471 PolarHBondContact O-N 3.36Å
472	A	27.5	Very low	27.5	Very low	88 Å²	88	139.6 Å²	139.6	73%	0.727	81%	0.808	S	S	*	*			trans	-69.3	154.2	-178.1	0	0	0	0	0	111.7	C474	A472-C474 PolarHBondContact O-N 3.21Å
473	P	23.6	Very low	28	Very low	124 Å²	124	137.8 Å²	137.8	81%	0.805	81%	0.806	S	S	*	*			trans	-80.6	121.8	-159.9	31.1	-31.9	0	0	0	112	S475	P473-S475 PolarHBondContact O-N 3.41Å
474	C	22.2	Very low	28.3	Very low	135 Å²	135	137.9 Å²	137.9	91%	0.912	80%	0.804	S	S	*	*			trans	-74.4	103.1	162.6	-155.3	0	0	0	0	107.4	A472 S476	A472-C474 PolarHBondContact O-N 3.21Å; C474-S476 PolarHBondContact O-N 2.97Å
475	S	27.9	Very low	28.8	Very low	110 Å²	110	137.3 Å²	137.3	77%	0.769	80%	0.802	S	S	*	*			trans	-72.9	112.5	177.8	58.7	0	0	0	0	109.8	P473 T477	P473-S475 PolarHBondContact O-N 3.41Å; S475-T477 PolarHBondContact O-N 3.42Å
476	S	29	Very low	28.9	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	79%	0.788	S	S	*	*			trans	-58.3	120.6	171.4	38.8	0	0	0	0	112.3	C474	C474-S476 PolarHBondContact O-N 2.97Å
477	T	23.7	Very low	29.1	Very low	125 Å²	125	132.8 Å²	132.8	77%	0.767	78%	0.781	S	S	*	*			trans	30.3	97.1	131.6	36	0	0	0	0	117.4	S475	S475-T477 PolarHBondContact O-N 3.42Å
478	K	29.1	Very low	29.2	Very low	211 Å²	211	129.3 Å²	129.3	92%	0.917	77%	0.765	S	S	*	*			trans	-84.2	108.9	151.1	-76	-175	177	-177.9	0	108.2	K480	K478-K480 PolarHBondContact O-N 3.18Å
479	L	29.3	Very low	29.4	Very low	167 Å²	167	130.3 Å²	130.3	87%	0.874	75%	0.75	S	S	*	*			trans	-60.2	124.7	175.6	-74.1	162.7	0	0	0	110.1	A481	L479-A481 PolarHBondContact O-N 2.81Å
480	K	30.1	Very low	30	Very low	191 Å²	191	129.1 Å²	129.1	83%	0.83	73%	0.731	S	S	*	*			trans	-68	108.4	177.7	-68.7	177.9	174.7	-178.6	0	109.3	K478	K478-K480 PolarHBondContact O-N 3.18Å
481	A	30.4	Very low	30.8	Very low	84 Å²	84	121.6 Å²	121.6	69%	0.694	71%	0.706	S	S	*	*			trans	-106.5	20.2	173.8	0	0	0	0	0	112.5	L479	L479-A481 PolarHBondContact O-N 2.81Å
482	F	31	Very low	31.6	Very low	165 Å²	165	121.1 Å²	121.1	72%	0.724	69%	0.694	S	S	*	*			trans	-106.3	4.1	-166	-83.4	-78.7	0	0	0	116.4	F484	F482-F484 VanDerWaalsContact C-N 3.28Å; F482-F484 PolarHBondContact O-N 2.99Å
483	D	37.3	Very low	32.4	Very low	133 Å²	133	123.7 Å²	123.7	71%	0.711	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	25	-178.8	-69.2	-22	0	0	0	114.6
484	F	34.6	Very low	33.7	Very low	166 Å²	166	123.6 Å²	123.6	73%	0.728	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-16.6	-178.2	-160.2	-98.1	0	0	0	114.5	F482	F482-F484 VanDerWaalsContact C-N 3.28Å; F482-F484 PolarHBondContact O-N 2.99Å
485	L	35.4	Very low	35.1	Very low	142 Å²	142	119.5 Å²	119.5	74%	0.743	65%	0.645	S	S	*	*	S	Bend	trans	-104.8	4.8	-166.6	-68.1	177.3	0	0	0	115.6
486	D	31.7	Very low	36.3	Very low	95 Å²	95	116.9 Å²	116.9	51%	0.508	63%	0.63	S	S	.	*			trans	-103	110.5	176.8	-162.9	-4.8	0	0	0	110.9	G488 Y489 S490	D486-G488 PolarHBondContact O-N 2.87Å; D486-G488 VanDerWaalsContact O-N 3.1Å; D486-Y489 HydrophobicContact CB-CD2 3.83Å; D486-Y489 PolarHBondContact O-N 2.99Å; D486-Y489 VanDerWaalsContact O-N 3.07Å; D486-Y489 VanDerWaalsContact OD2-CD2 3.32Å; D486-Y489 WeakPolarHBondContact OD2-CD2 3.45Å; D486-Y489 VanDerWaalsContact OD2-CE2 3.25Å; D486-Y489 WeakPolarHBondContact OD2-CE2 3.44Å; D486-S490 PolarHBondContact O-N 2.96Å
487	G	33.3	Very low	37.5	Very low	66 Å²	66	115.8 Å²	115.8	68%	0.68	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-19.4	-173	0	0	0	0	0	114.2
488	G	30.7	Very low	39.1	Very low	50 Å²	50	113.4 Å²	113.4	52%	0.515	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.4	-42.9	172.5	0	0	0	0	0	113.5	D486	D486-G488 PolarHBondContact O-N 2.87Å; D486-G488 VanDerWaalsContact O-N 3.1Å
489	Y	32.6	Very low	40.6	Very low	148 Å²	148	107.3 Å²	107.3	58%	0.58	56%	0.564	S	S	*	*	H	α-helix	trans	-83	-20.4	-173	-66.3	-76	0	0	0	113.9	D486 S491 E492 R493	D486-Y489 HydrophobicContact CB-CD2 3.83Å; D486-Y489 PolarHBondContact O-N 2.99Å; D486-Y489 VanDerWaalsContact O-N 3.07Å; D486-Y489 VanDerWaalsContact OD2-CD2 3.32Å; D486-Y489 WeakPolarHBondContact OD2-CD2 3.45Å; D486-Y489 VanDerWaalsContact OD2-CE2 3.25Å; D486-Y489 WeakPolarHBondContact OD2-CE2 3.44Å; Y489-S491 VanDerWaalsContact C-N 3.31Å; Y489-S491 PolarHBondContact O-N 2.78Å; Y489-E492 PolarHBondContact O-N 3.34Å; Y489-R493 WeakPolarHBondContact O-CB 3.35Å; Y489-R493 PolarHBondContact O-N 3.43Å
490	S	39.9	Very low	41.9	Very low	44 Å²	44	103.6 Å²	103.6	31%	0.308	54%	0.542	S	S	.	.	H	α-helix	trans	-64.9	-33	176.3	-175.1	0	0	0	0	112.8	D486 R494	D486-S490 PolarHBondContact O-N 2.96Å; S490-R494 WeakPolarHBondContact O-CB 3.3Å; S490-R494 PolarHBondContact O-N 3.13Å; S490-R494 PolarHBondContact O-NE 3Å; S490-R494 PolarHBondContact OG-NE 2.78Å; S490-R494 PolarHBondContact OG-NH2 2.89Å
491	S	39.9	Very low	43.2	Very low	63 Å²	63	95.8 Å²	95.8	44%	0.441	51%	0.508	S	S	.	.	H	α-helix	trans	-71.4	-46.8	177.3	-170.3	0	0	0	0	111.6	Y489 R494 A495	Y489-S491 VanDerWaalsContact C-N 3.31Å; Y489-S491 PolarHBondContact O-N 2.78Å; S491-R494 PolarHBondContact O-N 3.03Å; S491-A495 WeakPolarHBondContact O-CB 3.4Å; S491-A495 PolarHBondContact O-N 2.86Å
492	E	44.2	Very low	44.6	Very low	132 Å²	132	92.9 Å²	92.9	62%	0.617	48%	0.48	S	S	*	.	H	α-helix	trans	-63.4	-41.9	177.6	-70.4	-174.7	161.4	0	0	111.9	Y489 A495 A496	Y489-E492 PolarHBondContact O-N 3.34Å; E492-A495 CarbonylContact O-C 3.53Å; E492-A495 WeakPolarHBondContact O-CB 3.18Å; E492-A495 PolarHBondContact O-N 2.59Å; E492-A496 WeakPolarHBondContact O-CB 3.36Å; E492-A496 PolarHBondContact O-N 3.13Å
493	R	45.3	Very low	46.1	Very low	143 Å²	143	90.7 Å²	90.7	54%	0.54	47%	0.47	S	S	.	.	H	α-helix	trans	-63.3	-45.4	174.1	-176.9	177.6	169.5	176.8	-0.4	112	Y489 A495 A496 E497	Y489-R493 WeakPolarHBondContact O-CB 3.35Å; Y489-R493 PolarHBondContact O-N 3.43Å; R493-A495 VanDerWaalsContact C-N 3.25Å; R493-A495 PolarHBondContact O-N 3.49Å; R493-A496 PolarHBondContact O-N 2.77Å; R493-E497 HydrophobicContact CG-CG 4.45Å; R493-E497 IonicContact CZ-OE1 2.92Å; R493-E497 IonicContact NE-OE1 3.66Å; R493-E497 PolarHBondContact NE-OE1 2.93Å; R493-E497 IonicContact NH2-OE1 2.75Å; R493-E497 PolarHBondContact NH2-OE1 3.28Å; R493-E497 WeakPolarHBondContact O-CB 3.16Å; R493-E497 WeakPolarHBondContact O-CG 3.22Å; R493-E497 PolarHBondContact O-N 2.8Å
494	R	49.8	Very low	47	Very low	121 Å²	121	87.1 Å²	87.1	46%	0.457	45%	0.45	S	S	.	.	H	α-helix	trans	-62.8	-31.6	173.7	-87.8	-179.4	-84.2	122	-3.2	112.5	S490 S491 R498	S490-R494 WeakPolarHBondContact O-CB 3.3Å; S490-R494 PolarHBondContact O-N 3.13Å; S490-R494 PolarHBondContact O-NE 3Å; S490-R494 PolarHBondContact OG-NE 2.78Å; S490-R494 PolarHBondContact OG-NH2 2.89Å; S491-R494 PolarHBondContact O-N 3.03Å; R494-R498 VanDerWaalsContact O-CB 3.26Å; R494-R498 WeakPolarHBondContact O-CB 3.44Å; R494-R498 VanDerWaalsContact O-CG 3.32Å; R494-R498 WeakPolarHBondContact O-CG 3.38Å; R494-R498 PolarHBondContact O-N 3.34Å; R494-R498 VanDerWaalsContact O-N 3.13Å; R494-R498 PolarHBondContact O-NE 3.28Å; R494-R498 VanDerWaalsContact O-NE 3.11Å
495	A	52.3	Low	48.2	Very low	49 Å²	49	79.2 Å²	79.2	41%	0.405	42%	0.416	S	S	.	.	H	α-helix	trans	-72.7	-39.9	174.6	0	0	0	0	0	111.5	S491 E492 R493 R498 K499	S491-A495 WeakPolarHBondContact O-CB 3.4Å; S491-A495 PolarHBondContact O-N 2.86Å; E492-A495 CarbonylContact O-C 3.53Å; E492-A495 WeakPolarHBondContact O-CB 3.18Å; E492-A495 PolarHBondContact O-N 2.59Å; R493-A495 VanDerWaalsContact C-N 3.25Å; R493-A495 PolarHBondContact O-N 3.49Å; A495-R498 PolarHBondContact O-N 3.46Å; A495-K499 WeakPolarHBondContact O-CB 3.28Å; A495-K499 PolarHBondContact O-N 2.88Å
496	A	52.8	Low	49.5	Very low	56 Å²	56	73.8 Å²	73.8	46%	0.463	39%	0.386	S	S	.	.	H	α-helix	trans	-67.9	-46.3	176.3	0	0	0	0	0	112.4	E492 R493 R498 K499 E500	E492-A496 WeakPolarHBondContact O-CB 3.36Å; E492-A496 PolarHBondContact O-N 3.13Å; R493-A496 PolarHBondContact O-N 2.77Å; A496-R498 VanDerWaalsContact C-N 3.3Å; A496-R498 PolarHBondContact O-N 3.38Å; A496-K499 WeakPolarHBondContact O-CB 3.18Å; A496-K499 PolarHBondContact O-N 2.62Å; A496-K499 VanDerWaalsContact O-N 3.1Å; A496-E500 PolarHBondContact O-N 2.84Å
497	E	54.7	Low	50.5	Low	80 Å²	80	71.7 Å²	71.7	37%	0.374	38%	0.382	S	S	.	.	H	α-helix	trans	-59.4	-41.3	173.6	-74	174.8	-175.3	0	0	110.7	R493 Q501 L1007	R493-E497 HydrophobicContact CG-CG 4.45Å; R493-E497 IonicContact CZ-OE1 2.92Å; R493-E497 IonicContact NE-OE1 3.66Å; R493-E497 PolarHBondContact NE-OE1 2.93Å; R493-E497 IonicContact NH2-OE1 2.75Å; R493-E497 PolarHBondContact NH2-OE1 3.28Å; R493-E497 WeakPolarHBondContact O-CB 3.16Å; R493-E497 WeakPolarHBondContact O-CG 3.22Å; R493-E497 PolarHBondContact O-N 2.8Å; E497-Q501 VanDerWaalsContact O-CB 3.28Å; E497-Q501 WeakPolarHBondContact O-CB 3.35Å; E497-Q501 PolarHBondContact O-N 3.2Å; E497-L1007 HydrophobicContact CB-CD2 4.37Å; E497-L1007 HydrophobicContact CG-CD2 4.36Å
498	R	56.5	Low	51.6	Low	75 Å²	75	69.3 Å²	69.3	28%	0.283	35%	0.353	S	S	.	.	H	α-helix	trans	-63.2	-42.1	171.5	-86.3	-176.1	-82.2	171	-4.5	112.6	R494 A495 A496 Q501 Y502	R494-R498 VanDerWaalsContact O-CB 3.26Å; R494-R498 WeakPolarHBondContact O-CB 3.44Å; R494-R498 VanDerWaalsContact O-CG 3.32Å; R494-R498 WeakPolarHBondContact O-CG 3.38Å; R494-R498 PolarHBondContact O-N 3.34Å; R494-R498 VanDerWaalsContact O-N 3.13Å; R494-R498 PolarHBondContact O-NE 3.28Å; R494-R498 VanDerWaalsContact O-NE 3.11Å; A495-R498 PolarHBondContact O-N 3.46Å; A496-R498 VanDerWaalsContact C-N 3.3Å; A496-R498 PolarHBondContact O-N 3.38Å; R498-Q501 WeakPolarHBondContact O-CB 3.48Å; R498-Q501 PolarHBondContact O-N 3.24Å; R498-Y502 HydrophobicContact CB-CD2 4.38Å; R498-Y502 HydrophobicContact CB-CE2 3.92Å; R498-Y502 WeakPolarHBondContact O-CD2 3.46Å; R498-Y502 PolarHBondContact O-N 3.03Å
499	K	61	Low	53.1	Low	83 Å²	83	67.1 Å²	67.1	36%	0.361	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-43.4	178.7	-170	178.2	-173	175.7	0	111.8	A495 A496 Y502 K503 E1149	A495-K499 WeakPolarHBondContact O-CB 3.28Å; A495-K499 PolarHBondContact O-N 2.88Å; A496-K499 WeakPolarHBondContact O-CB 3.18Å; A496-K499 PolarHBondContact O-N 2.62Å; A496-K499 VanDerWaalsContact O-N 3.1Å; K499-Y502 PolarHBondContact O-N 3.22Å; K499-K503 WeakPolarHBondContact O-CG 3.09Å; K499-K503 PolarHBondContact O-N 3.45Å; K499-K503 VanDerWaalsContact O-N 3.11Å; K499-E1149 IonicContact NZ-OE1 3.18Å; K499-E1149 PolarHBondContact NZ-OE1 2.75Å
500	E	56.6	Low	54.3	Low	90 Å²	90	67.6 Å²	67.6	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-63.2	-45.9	173.5	-71.3	-121.3	134.9	0	0	111.5	A496 Y502 K503 L504 L1007	A496-E500 PolarHBondContact O-N 2.84Å; E500-Y502 VanDerWaalsContact C-N 3.31Å; E500-Y502 PolarHBondContact O-N 3.07Å; E500-K503 PolarHBondContact O-N 3.39Å; E500-L504 WeakPolarHBondContact O-CG 3.3Å; E500-L504 PolarHBondContact O-N 3.34Å; E500-L504 VanDerWaalsContact O-N 3.15Å; E500-L1007 HydrophobicContact CB-CD1 4.07Å; E500-L1007 WeakPolarHBondContact OE2-CD1 3.18Å
501	Q	56.6	Low	54.8	Low	27 Å²	27	69.6 Å²	69.6	13%	0.126	34%	0.336	C	S	.	.	H	α-helix	trans	-56.4	-43.9	175.6	-178.3	179.8	12	0	0	111.9	E497 R498 L504 V505 G1008 F1009	E497-Q501 VanDerWaalsContact O-CB 3.28Å; E497-Q501 WeakPolarHBondContact O-CB 3.35Å; E497-Q501 PolarHBondContact O-N 3.2Å; R498-Q501 WeakPolarHBondContact O-CB 3.48Å; R498-Q501 PolarHBondContact O-N 3.24Å; Q501-L504 WeakPolarHBondContact O-CB 3.21Å; Q501-L504 PolarHBondContact O-N 3.05Å; Q501-V505 WeakPolarHBondContact O-CG2 3.35Å; Q501-V505 PolarHBondContact O-N 3.18Å; Q501-G1008 PolarHBondContact NE2-O 3.29Å; Q501-F1009 HydrophobicContact CG-CD2 3.98Å; Q501-F1009 HydrophobicContact CG-CE2 3.39Å; Q501-F1009 HydrophobicContact CG-CZ 3.98Å; Q501-F1009 VanDerWaalsContact NE2-CD2 3.28Å
502	Y	60.2	Low	55.3	Low	23 Å²	23	68.1 Å²	68.1	9%	0.09	32%	0.323	C	S	.	.	H	α-helix	trans	-66.7	-39.6	178.2	-67.7	-42.7	0	0	0	113.5	R498 K499 E500 L504 V505 K506 I1140 F1142	R498-Y502 HydrophobicContact CB-CD2 4.38Å; R498-Y502 HydrophobicContact CB-CE2 3.92Å; R498-Y502 WeakPolarHBondContact O-CD2 3.46Å; R498-Y502 PolarHBondContact O-N 3.03Å; K499-Y502 PolarHBondContact O-N 3.22Å; E500-Y502 VanDerWaalsContact C-N 3.31Å; E500-Y502 PolarHBondContact O-N 3.07Å; Y502-L504 PolarHBondContact O-N 2.82Å; Y502-V505 PolarHBondContact O-N 3.46Å; Y502-K506 VanDerWaalsContact O-CB 3.26Å; Y502-K506 WeakPolarHBondContact O-CB 3.29Å; Y502-K506 PolarHBondContact O-N 3.01Å; Y502-I1140 HydrophobicContact CD1-CD1 3.25Å; Y502-I1140 HydrophobicContact CD2-CD1 4.2Å; Y502-I1140 HydrophobicContact CE1-CD1 2.89Å; Y502-I1140 HydrophobicContact CE1-CG1 4.37Å; Y502-I1140 HydrophobicContact CE2-CD1 3.87Å; Y502-I1140 HydrophobicContact CG-CD1 3.92Å; Y502-F1142 HydrophobicContact CE1-CE1 4.2Å
503	K	62.4	Low	55.4	Low	119 Å²	119	69 Å²	69	52%	0.517	33%	0.327	S	S	.	.	H	α-helix	trans	-58.1	-38.7	173	-75.5	-179.7	177.4	-178.2	0	111.2	K499 E500 A507	K499-K503 WeakPolarHBondContact O-CG 3.09Å; K499-K503 PolarHBondContact O-N 3.45Å; K499-K503 VanDerWaalsContact O-N 3.11Å; E500-K503 PolarHBondContact O-N 3.39Å; K503-A507 PolarHBondContact O-N 3.47Å; K503-A507 VanDerWaalsContact O-N 3.13Å
504	L	57.2	Low	55.8	Low	57 Å²	57	63.7 Å²	63.7	30%	0.298	31%	0.312	S	S	.	.	H	α-helix	trans	-71	-46.1	178.3	-65.8	171.2	0	0	0	112.9	E500 Q501 Y502 K506 A507 H508 L1007	E500-L504 WeakPolarHBondContact O-CG 3.3Å; E500-L504 PolarHBondContact O-N 3.34Å; E500-L504 VanDerWaalsContact O-N 3.15Å; Q501-L504 WeakPolarHBondContact O-CB 3.21Å; Q501-L504 PolarHBondContact O-N 3.05Å; Y502-L504 PolarHBondContact O-N 2.82Å; L504-K506 VanDerWaalsContact C-N 3.32Å; L504-K506 PolarHBondContact O-N 3.19Å; L504-A507 PolarHBondContact O-N 3.25Å; L504-H508 PolarHBondContact O-N 3.03Å; L504-L1007 HydrophobicContact CD1-CB 4.46Å; L504-L1007 HydrophobicContact CD1-CD1 4.45Å
505	V	59.6	Low	56.5	Low	1 Å²	1	60.5 Å²	60.5	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-58.2	-46.8	175.2	175.2	0	0	0	0	110.3	Q501 Y502 A507 H508 V509 L983 F1009 F1142	Q501-V505 WeakPolarHBondContact O-CG2 3.35Å; Q501-V505 PolarHBondContact O-N 3.18Å; Y502-V505 PolarHBondContact O-N 3.46Å; V505-A507 VanDerWaalsContact C-N 3.33Å; V505-A507 PolarHBondContact O-N 3.5Å; V505-H508 PolarHBondContact O-N 3.11Å; V505-H508 VanDerWaalsContact O-N 3.08Å; V505-V509 HydrophobicContact CG1-CG2 3.95Å; V505-V509 VanDerWaalsContact O-CG2 3.29Å; V505-V509 WeakPolarHBondContact O-CG2 3.41Å; V505-V509 PolarHBondContact O-N 3.31Å; V505-L983 HydrophobicContact CG1-CD2 3.64Å; V505-L983 HydrophobicContact CG2-CB 4.16Å; V505-L983 HydrophobicContact CG2-CD2 4.4Å; V505-F1009 HydrophobicContact CG2-CD2 4.47Å; V505-F1009 HydrophobicContact CG2-CE2 3.33Å; V505-F1009 HydrophobicContact CG2-CZ 3.68Å; V505-F1142 HydrophobicContact CG1-CB 3.96Å; V505-F1142 HydrophobicContact CG1-CD1 4.06Å; V505-F1142 HydrophobicContact CG1-CG 4.41Å
506	K	61.9	Low	57.4	Low	27 Å²	27	60.5 Å²	60.5	12%	0.117	31%	0.306	C	S	.	.	H	α-helix	trans	-56.3	-45.7	177.6	-177.8	176.6	-162.3	166.2	0	112.1	Y502 L504 H508 K510 G1145 D1147	Y502-K506 VanDerWaalsContact O-CB 3.26Å; Y502-K506 WeakPolarHBondContact O-CB 3.29Å; Y502-K506 PolarHBondContact O-N 3.01Å; L504-K506 VanDerWaalsContact C-N 3.32Å; L504-K506 PolarHBondContact O-N 3.19Å; K506-H508 VanDerWaalsContact C-N 3.33Å; K506-K510 WeakPolarHBondContact O-CB 3.17Å; K506-K510 WeakPolarHBondContact O-CG 3.36Å; K506-K510 PolarHBondContact O-N 3.22Å; K506-K510 VanDerWaalsContact O-N 3.13Å; K506-G1145 PolarHBondContact NZ-O 3.39Å; K506-D1147 IonicContact NZ-OD2 2.92Å; K506-D1147 PolarHBondContact NZ-OD2 3.33Å
507	A	53.6	Low	58.5	Low	51 Å²	51	62.5 Å²	62.5	42%	0.421	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-38.6	177.3	0	0	0	0	0	112	K503 L504 V505 R511	K503-A507 PolarHBondContact O-N 3.47Å; K503-A507 VanDerWaalsContact O-N 3.13Å; L504-A507 PolarHBondContact O-N 3.25Å; V505-A507 VanDerWaalsContact C-N 3.33Å; V505-A507 PolarHBondContact O-N 3.5Å; A507-R511 WeakPolarHBondContact O-CB 3.34Å; A507-R511 PolarHBondContact O-N 3.24Å
508	H	55.2	Low	59.7	Low	16 Å²	16	63.5 Å²	63.5	7%	0.074	31%	0.313	C	S	.	.	H	α-helix	trans	-69.4	-46.9	178.2	179.3	38.7	0	0	0	112.7	L504 V505 K506 K510 R511 D512 K981 M982 K985	L504-H508 PolarHBondContact O-N 3.03Å; V505-H508 PolarHBondContact O-N 3.11Å; V505-H508 VanDerWaalsContact O-N 3.08Å; K506-H508 VanDerWaalsContact C-N 3.33Å; H508-K510 VanDerWaalsContact C-N 3.28Å; H508-K510 PolarHBondContact O-N 3.35Å; H508-R511 CarbonylContact O-C 3.59Å; H508-R511 PolarHBondContact O-N 3.35Å; H508-D512 IonicContact CE1-OD1 3.83Å; H508-D512 IonicContact NE2-OD1 2.61Å; H508-D512 PolarHBondContact O-N 2.97Å; H508-K981 PolarHBondContact NE2-O 3.32Å; H508-M982 PolarHBondContact CD2-O 3.37Å; H508-M982 PolarHBondContact NE2-O 3.44Å; H508-K985 WeakPolarHBondContact CE1-CB 3.29Å; H508-K985 VanDerWaalsContact NE2-CB 3.31Å; H508-K985 WeakPolarHBondContact NE2-CB 3.2Å
509	V	62.2	Low	60.8	Low	5 Å²	5	61.6 Å²	61.6	3%	0.03	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-34.7	179.3	174.4	0	0	0	0	111.6	V505 R511 Q518 F1094 R1143	V505-V509 HydrophobicContact CG1-CG2 3.95Å; V505-V509 VanDerWaalsContact O-CG2 3.29Å; V505-V509 WeakPolarHBondContact O-CG2 3.41Å; V505-V509 PolarHBondContact O-N 3.31Å; V509-R511 VanDerWaalsContact C-N 3.3Å; V509-R511 PolarHBondContact O-N 3.48Å; V509-Q518 PolarHBondContact O-NE2 3.06Å; V509-F1094 HydrophobicContact CB-CE1 4.46Å; V509-F1094 HydrophobicContact CG1-CD1 4.12Å; V509-F1094 HydrophobicContact CG1-CE1 3.54Å; V509-F1094 HydrophobicContact CG1-CZ 3.98Å; V509-F1094 HydrophobicContact CG2-CD1 4.49Å; V509-F1094 HydrophobicContact CG2-CE1 4.02Å; V509-R1143 HydrophobicContact CG1-CB 4.37Å; V509-R1143 HydrophobicContact CG1-CG 3.72Å
510	K	58.6	Low	61.8	Low	158 Å²	158	64.8 Å²	64.8	69%	0.687	32%	0.324	S	S	*	.	H	α-helix	trans	-70.7	-22.3	173	-75.4	-176.8	178.4	-171.2	0	113.8	K506 H508	K506-K510 WeakPolarHBondContact O-CB 3.17Å; K506-K510 WeakPolarHBondContact O-CG 3.36Å; K506-K510 PolarHBondContact O-N 3.22Å; K506-K510 VanDerWaalsContact O-N 3.13Å; H508-K510 VanDerWaalsContact C-N 3.28Å; H508-K510 PolarHBondContact O-N 3.35Å
511	R	50	Low	63.2	Low	85 Å²	85	60.8 Å²	60.8	32%	0.321	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	10.5	-173.2	-160.5	179	173.1	-165.9	-6.3	113.1	A507 H508 V509 E513 I989 N993	A507-R511 WeakPolarHBondContact O-CB 3.34Å; A507-R511 PolarHBondContact O-N 3.24Å; H508-R511 CarbonylContact O-C 3.59Å; H508-R511 PolarHBondContact O-N 3.35Å; V509-R511 VanDerWaalsContact C-N 3.3Å; V509-R511 PolarHBondContact O-N 3.48Å; R511-E513 VanDerWaalsContact C-N 3.3Å; R511-E513 PolarHBondContact O-N 3.04Å; R511-I989 PolarHBondContact NH2-O 2.91Å; R511-N993 PolarHBondContact NH2-ND2 3.14Å
512	D	50.8	Low	64.8	Low	33 Å²	33	59.5 Å²	59.5	18%	0.176	30%	0.301	C	S	.	.			trans	-69.9	83.2	-168.6	-125.7	-2.7	0	0	0	112.3	H508 S514	H508-D512 IonicContact CE1-OD1 3.83Å; H508-D512 IonicContact NE2-OD1 2.61Å; H508-D512 PolarHBondContact O-N 2.97Å; D512-S514 PolarHBondContact O-N 3.25Å; D512-S514 WeakPolarHBondContact OD1-CB 3.5Å; D512-S514 PolarHBondContact OD1-OG 2.92Å; D512-S514 PolarHBondContact OD2-OG 2.94Å
513	E	46.8	Very low	66	Low	149 Å²	149	58.4 Å²	58.4	70%	0.696	30%	0.297	S	S	*	.			trans	-73.4	12.8	160.5	-66	176.5	170.8	0	0	111.1	R511 G515	R511-E513 VanDerWaalsContact C-N 3.3Å; R511-E513 PolarHBondContact O-N 3.04Å; E513-G515 PolarHBondContact O-N 3.28Å
514	S	53.9	Low	67.1	Low	32 Å²	32	53 Å²	53	22%	0.224	27%	0.274	C	S	.	.	S	Bend	trans	-68.5	6.4	-170	63.2	0	0	0	0	114.8	D512 R516	D512-S514 PolarHBondContact O-N 3.25Å; D512-S514 WeakPolarHBondContact OD1-CB 3.5Å; D512-S514 PolarHBondContact OD1-OG 2.92Å; D512-S514 PolarHBondContact OD2-OG 2.94Å; S514-R516 PolarHBondContact O-N 3.01Å
515	G	63.4	Low	68.2	Low	54 Å²	54	50.7 Å²	50.7	56%	0.557	26%	0.262	S	S	*	.	S	Bend	trans	59.2	21.4	-173.2	0	0	0	0	0	111.8	E513 A526	E513-G515 PolarHBondContact O-N 3.28Å; G515-A526 WeakPolarHBondContact O-CB 3.4Å
516	R	70.9	Confident	68.9	Low	49 Å²	49	53.2 Å²	53.2	19%	0.185	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	146.8	175	-70	-173.5	69.3	103.1	-2.1	109.4	S514 S523 I524 Y978 A1090	S514-R516 PolarHBondContact O-N 3.01Å; R516-S523 PolarHBondContact NE-OG 2.9Å; R516-S523 PolarHBondContact NH2-O 2.82Å; R516-I524 CarbonylContact C-O 3.59Å; R516-I524 WeakPolarHBondContact CA-O 3.3Å; R516-I524 VanDerWaalsContact CB-O 3.24Å; R516-I524 WeakPolarHBondContact CB-O 3.31Å; R516-Y978 PolarHBondContact NH2-OH 3.4Å; R516-A1090 PolarHBondContact NH2-O 3.3Å
517	L	77	Confident	69.4	Low	99 Å²	99	54.6 Å²	54.6	52%	0.518	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	139.9	177	-70.3	154.2	0	0	0	109	I524 A526	L517-I524 HydrophobicContact CB-CB 4.42Å; L517-I524 PolarHBondContact N-O 3.01Å; L517-I524 WeakPolarHBondContact O-CB 3.25Å; L517-I524 PolarHBondContact O-N 3.35Å; L517-A526 HydrophobicContact CD1-CB 3.92Å; L517-A526 HydrophobicContact CG-CB 4.09Å
518	Q	79.2	Confident	69.6	Low	100 Å²	100	62.2 Å²	62.2	47%	0.467	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.7	167.5	-62	-174.6	16.4	0	0	108.4	V509 W522 F1094	V509-Q518 PolarHBondContact O-NE2 3.06Å; Q518-W522 WeakPolarHBondContact CA-O 3.43Å; Q518-F1094 HydrophobicContact CB-CE2 4.35Å; Q518-F1094 HydrophobicContact CG-CE2 4Å; Q518-F1094 HydrophobicContact CG-CZ 4.09Å
519	A	80.6	Confident	69.9	Low	35 Å²	35	65.6 Å²	65.6	29%	0.289	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	140.7	173.3	0	0	0	0	0	110.5	G521 W522 I524	A519-G521 PolarHBondContact O-N 3.26Å; A519-W522 PolarHBondContact N-O 2.89Å; A519-W522 VanDerWaalsContact N-O 3.14Å; A519-W522 WeakPolarHBondContact O-CB 3.25Å; A519-W522 PolarHBondContact O-N 2.69Å; A519-I524 HydrophobicContact CB-CD1 3.55Å
520	Y	82.1	Confident	69.8	Low	150 Å²	150	71.1 Å²	71.1	59%	0.588	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	33.6	175.9	-52.5	-73.3	0	0	0	114.8	V534 V536 P537	Y520-V534 HydrophobicContact CD2-CB 4.16Å; Y520-V534 HydrophobicContact CD2-CG1 4.05Å; Y520-V536 HydrophobicContact CD1-CG1 4.04Å; Y520-V536 HydrophobicContact CD1-CG2 3.95Å; Y520-V536 HydrophobicContact CD2-CG2 4.29Å; Y520-V536 HydrophobicContact CE1-CG2 4.29Å; Y520-V536 HydrophobicContact CG-CG2 3.95Å; Y520-P537 WeakPolarHBondContact O-CD 3.32Å; Y520-P537 VanDerWaalsContact O-CG 3.27Å; Y520-P537 WeakPolarHBondContact O-CG 3.48Å
521	G	84.9	Confident	70	Confident	6 Å²	6	66.9 Å²	66.9	6%	0.062	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	15.8	-177.7	0	0	0	0	0	114.8	A519 F1094	A519-G521 PolarHBondContact O-N 3.26Å; G521-F1094 VanDerWaalsContact O-CB 3.32Å; G521-F1094 WeakPolarHBondContact O-CB 3.36Å; G521-F1094 WeakPolarHBondContact O-CD2 3.49Å; G521-F1094 PolarHBondContact O-N 3.37Å
522	W	90.3	Very high	71	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147.1	173.9	-66.5	85.9	0	0	0	112.5	Q518 A519 I524 V534 P535 W1025 I1033 Q1091 L1092 S1093 W1168	Q518-W522 WeakPolarHBondContact CA-O 3.43Å; A519-W522 PolarHBondContact N-O 2.89Å; A519-W522 VanDerWaalsContact N-O 3.14Å; A519-W522 WeakPolarHBondContact O-CB 3.25Å; A519-W522 PolarHBondContact O-N 2.69Å; W522-I524 HydrophobicContact CB-CD1 4.33Å; W522-I524 HydrophobicContact CB-CG1 3.97Å; W522-V534 HydrophobicContact CB-CG1 4.2Å; W522-V534 HydrophobicContact CG-CG1 4.13Å; W522-P535 HydrophobicContact CZ2-CB 3.92Å; W522-P535 HydrophobicContact CZ2-CG 4.14Å; W522-P535 PolarHBondContact NE1-O 3.12Å; W522-W1025 HydrophobicContact CH2-CE3 4.35Å; W522-W1025 HydrophobicContact CH2-CH2 4.08Å; W522-W1025 AromaticContact CH2-CZ3 3.56Å; W522-W1025 HydrophobicContact CH2-CZ3 3.56Å; W522-W1025 AromaticContact CZ2-CH2 3.96Å; W522-W1025 HydrophobicContact CZ2-CH2 3.96Å; W522-W1025 AromaticContact CZ2-CZ3 3.78Å; W522-W1025 HydrophobicContact CZ2-CZ3 3.78Å; W522-I1033 HydrophobicContact CH2-CG2 4.33Å; W522-Q1091 HydrophobicContact CE3-CB 3.69Å; W522-Q1091 HydrophobicContact CZ3-CB 4.19Å; W522-Q1091 WeakPolarHBondContact CZ3-O 3.44Å; W522-L1092 CarbonylContact C-O 3.4Å; W522-L1092 WeakPolarHBondContact CA-O 3.17Å; W522-S1093 VanDerWaalsContact CZ3-N 3.33Å; W522-W1168 AromaticContact CE2-CD1 3.91Å; W522-W1168 AromaticContact CE2-NE1 3.71Å; W522-W1168 AromaticContact CZ2-CD1 3.69Å; W522-W1168 HydrophobicContact CZ2-CD2 4.29Å; W522-W1168 AromaticContact CZ2-CE2 3.83Å; W522-W1168 HydrophobicContact CZ2-CG 4.2Å; W522-W1168 HydrophobicContact CZ2-CZ2 4.46Å; W522-W1168 AromaticContact CZ2-NE1 3.41Å; W522-W1168 AromaticContact NE1-CD1 3.55Å; W522-W1168 AromaticContact NE1-NE1 3.6Å
523	S	86.3	Confident	72.3	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.8	160.4	-179.2	0	0	0	0	110.6	R516 M982 Q1091 L1092	R516-S523 PolarHBondContact NE-OG 2.9Å; R516-S523 PolarHBondContact NH2-O 2.82Å; S523-M982 VanDerWaalsContact CB-CE 3.46Å; S523-M982 WeakPolarHBondContact OG-CE 3.49Å; S523-Q1091 WeakPolarHBondContact O-CA 3.38Å; S523-L1092 PolarHBondContact N-O 3.03Å; S523-L1092 PolarHBondContact O-N 3.23Å
524	I	84.3	Confident	74.2	Confident	6 Å²	6	59.8 Å²	59.8	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.6	-170.4	-58.9	157.5	0	0	0	108.7	R516 L517 A519 W522 A526 M531 V534	R516-I524 CarbonylContact C-O 3.59Å; R516-I524 WeakPolarHBondContact CA-O 3.3Å; R516-I524 VanDerWaalsContact CB-O 3.24Å; R516-I524 WeakPolarHBondContact CB-O 3.31Å; L517-I524 HydrophobicContact CB-CB 4.42Å; L517-I524 PolarHBondContact N-O 3.01Å; L517-I524 WeakPolarHBondContact O-CB 3.25Å; L517-I524 PolarHBondContact O-N 3.35Å; A519-I524 HydrophobicContact CB-CD1 3.55Å; W522-I524 HydrophobicContact CB-CD1 4.33Å; W522-I524 HydrophobicContact CB-CG1 3.97Å; I524-A526 PolarHBondContact O-N 2.91Å; I524-M531 HydrophobicContact CG2-CE 3.09Å; I524-V534 HydrophobicContact CD1-CB 4.3Å; I524-V534 HydrophobicContact CD1-CG1 3.78Å; I524-V534 HydrophobicContact CD1-CG2 3.49Å; I524-V534 VanDerWaalsContact CD1-CG2 3.49Å; I524-V534 HydrophobicContact CG1-CG1 4.43Å; I524-V534 HydrophobicContact CG1-CG2 4.27Å
525	P	80.9	Confident	76.1	Confident	8 Å²	8	58.3 Å²	58.3	5%	0.052	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	136.1	175.2	29	-34.3	0	0	0	110.4	L527 M531 V1088	P525-L527 HydrophobicContact CB-CD1 4.06Å; P525-L527 HydrophobicContact CB-CG 4.13Å; P525-L527 HydrophobicContact CG-CD1 4.03Å; P525-L527 PolarHBondContact O-N 2.7Å; P525-M531 HydrophobicContact CG-CE 4.22Å; P525-M531 WeakPolarHBondContact O-CE 3.32Å; P525-V1088 VanDerWaalsContact CB-O 3.31Å; P525-V1088 WeakPolarHBondContact CB-O 3.49Å; P525-V1088 WeakPolarHBondContact CG-O 3.43Å
526	A	73.3	Confident	77.4	Confident	54 Å²	54	58 Å²	58	45%	0.446	31%	0.312	S	S	.	.			trans	-82.3	102.7	167.3	0	0	0	0	0	108.7	G515 L517 I524	G515-A526 WeakPolarHBondContact O-CB 3.4Å; L517-A526 HydrophobicContact CD1-CB 3.92Å; L517-A526 HydrophobicContact CG-CB 4.09Å; I524-A526 PolarHBondContact O-N 2.91Å
527	L	72.9	Confident	78.4	Confident	57 Å²	57	57.2 Å²	57.2	30%	0.298	31%	0.313	S	S	.	.			trans	-121.2	144.2	174.4	-64.6	165.6	0	0	0	107.7	P525 M529 M531 V1088 L1089	P525-L527 HydrophobicContact CB-CD1 4.06Å; P525-L527 HydrophobicContact CB-CG 4.13Å; P525-L527 HydrophobicContact CG-CD1 4.03Å; P525-L527 PolarHBondContact O-N 2.7Å; L527-M529 PolarHBondContact O-N 3.35Å; L527-M531 HydrophobicContact CB-SD 4.11Å; L527-V1088 HydrophobicContact CD1-CG1 4.42Å; L527-V1088 HydrophobicContact CD2-CG1 4.4Å; L527-L1089 HydrophobicContact CD1-CD2 3.4Å
528	E	57.8	Low	79.1	Confident	211 Å²	211	56.3 Å²	56.3	99%	0.986	31%	0.311	S	S	*	.	S	Bend	trans	-75.1	5.5	176.7	-63.7	-174.7	162.6	0	0	113.3
529	M	61.4	Low	79.7	Confident	86 Å²	86	52.8 Å²	52.8	42%	0.424	29%	0.294	S	S	.	.	S	Bend	trans	-84.8	160.7	179.4	-74.4	-175.6	41.9	0	0	112.4	L527 M531 R1043	L527-M529 PolarHBondContact O-N 3.35Å; M529-M531 PolarHBondContact O-N 3.12Å; M529-R1043 PolarHBondContact SD-NH2 3.38Å
530	P	59.9	Low	80.2	Confident	122 Å²	122	52.8 Å²	52.8	79%	0.792	29%	0.292	S	S	*	.			trans	-52.2	113.5	164.1	-19.8	30.4	0	0	0	109.4
531	M	62.6	Low	80.7	Confident	69 Å²	69	49.8 Å²	49.8	34%	0.34	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-81.1	132.5	-176.2	-70.2	-67.3	-71.9	0	0	109.3	I524 P525 L527 M529	I524-M531 HydrophobicContact CG2-CE 3.09Å; P525-M531 HydrophobicContact CG-CE 4.22Å; P525-M531 WeakPolarHBondContact O-CE 3.32Å; L527-M531 HydrophobicContact CB-SD 4.11Å; M529-M531 PolarHBondContact O-N 3.12Å
532	P	70.8	Confident	81	Confident	48 Å²	48	49.9 Å²	49.9	31%	0.312	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-61.8	148.5	172.8	23.6	-30.1	0	0	0	110.3	V534 P1037	P532-V534 PolarHBondContact O-N 3.42Å; P532-P1037 HydrophobicContact CB-CB 4.31Å; P532-P1037 HydrophobicContact CB-CG 4.21Å; P532-P1037 HydrophobicContact CG-CB 3.82Å; P532-P1037 HydrophobicContact CG-CG 3.47Å; P532-P1037 VanDerWaalsContact CG-CG 3.47Å
533	S	80	Confident	81	Confident	38 Å²	38	50.4 Å²	50.4	27%	0.266	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-51	130.8	-179	58.6	0	0	0	0	111.6	R1023 K1171	S533-R1023 PolarHBondContact O-NH2 2.82Å; S533-K1171 WeakPolarHBondContact CB-O 3.31Å; S533-K1171 PolarHBondContact OG-O 3.29Å
534	V	86.4	Confident	81.1	Confident	32 Å²	32	51.9 Å²	51.9	19%	0.194	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-84	127.2	-179.1	-179.2	0	0	0	0	108.7	Y520 W522 I524 P532 V536	Y520-V534 HydrophobicContact CD2-CB 4.16Å; Y520-V534 HydrophobicContact CD2-CG1 4.05Å; W522-V534 HydrophobicContact CB-CG1 4.2Å; W522-V534 HydrophobicContact CG-CG1 4.13Å; I524-V534 HydrophobicContact CD1-CB 4.3Å; I524-V534 HydrophobicContact CD1-CG1 3.78Å; I524-V534 HydrophobicContact CD1-CG2 3.49Å; I524-V534 VanDerWaalsContact CD1-CG2 3.49Å; I524-V534 HydrophobicContact CG1-CG1 4.43Å; I524-V534 HydrophobicContact CG1-CG2 4.27Å; P532-V534 PolarHBondContact O-N 3.42Å; V534-V536 PolarHBondContact O-N 3.12Å
535	P	92.7	Very high	80.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-58.5	130.2	173.6	-24.5	34.9	0	0	0	111.8	W522 W1025 W1168 E1169 V1170	W522-P535 HydrophobicContact CZ2-CB 3.92Å; W522-P535 HydrophobicContact CZ2-CG 4.14Å; W522-P535 PolarHBondContact NE1-O 3.12Å; P535-W1025 HydrophobicContact CB-CH2 3.69Å; P535-W1025 HydrophobicContact CB-CZ2 4.24Å; P535-W1025 HydrophobicContact CG-CH2 3.53Å; P535-W1025 HydrophobicContact CG-CZ2 3.75Å; P535-W1168 HydrophobicContact CB-CB 3.89Å; P535-W1168 HydrophobicContact CB-CG 4.16Å; P535-E1169 CarbonylContact C-O 3.54Å; P535-E1169 WeakPolarHBondContact CA-O 3.47Å; P535-V1170 HydrophobicContact CB-CG2 3.94Å; P535-V1170 HydrophobicContact CG-CG2 4.12Å
536	V	91.3	Very high	81	Confident	49 Å²	49	62.6 Å²	62.6	30%	0.297	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.6	-179.1	-178.5	0	0	0	0	109.3	Y520 V534 V538 W1168 E1169	Y520-V536 HydrophobicContact CD1-CG1 4.04Å; Y520-V536 HydrophobicContact CD1-CG2 3.95Å; Y520-V536 HydrophobicContact CD2-CG2 4.29Å; Y520-V536 HydrophobicContact CE1-CG2 4.29Å; Y520-V536 HydrophobicContact CG-CG2 3.95Å; V534-V536 PolarHBondContact O-N 3.12Å; V536-V538 PolarHBondContact O-N 2.62Å; V536-W1168 CarbonylContact O-C 3.55Å; V536-W1168 VanDerWaalsContact O-CA 3.25Å; V536-W1168 WeakPolarHBondContact O-CA 3.18Å; V536-E1169 PolarHBondContact N-O 3.25Å; V536-E1169 PolarHBondContact O-N 3.24Å
537	P	91.5	Very high	81.5	Confident	32 Å²	32	62.4 Å²	62.4	21%	0.208	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	123.6	175.1	27.5	-32.2	0	0	0	109.6	Y520 V1167	Y520-P537 WeakPolarHBondContact O-CD 3.32Å; Y520-P537 VanDerWaalsContact O-CG 3.27Å; Y520-P537 WeakPolarHBondContact O-CG 3.48Å; P537-V1167 CarbonylContact C-O 3.53Å; P537-V1167 WeakPolarHBondContact CA-O 3.33Å
538	V	91.4	Very high	81.9	Confident	80 Å²	80	61.7 Å²	61.7	49%	0.485	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-19.1	-178.9	-66	0	0	0	0	112.7	V536 V1167 E1169	V536-V538 PolarHBondContact O-N 2.62Å; V538-V1167 HydrophobicContact CG2-CB 4.04Å; V538-V1167 HydrophobicContact CG2-CG1 3.72Å; V538-V1167 WeakPolarHBondContact CG2-O 3.32Å; V538-V1167 PolarHBondContact N-O 3.41Å; V538-E1169 HydrophobicContact CG1-CB 3.92Å
539	F	92	Very high	83.1	Confident	25 Å²	25	54.4 Å²	54.4	11%	0.11	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	135	179	-175.4	-95.5	0	0	0	111.6	Q541 P646 G647 L1165 I1166 V1167	F539-Q541 HydrophobicContact CD2-CG 4.47Å; F539-Q541 HydrophobicContact CE1-CB 3.85Å; F539-Q541 HydrophobicContact CE2-CB 3.93Å; F539-Q541 HydrophobicContact CE2-CG 4.05Å; F539-Q541 VanDerWaalsContact CE2-OE1 3.3Å; F539-Q541 HydrophobicContact CZ-CB 3.53Å; F539-Q541 HydrophobicContact CZ-CG 4.18Å; F539-P646 HydrophobicContact CB-CB 4.45Å; F539-P646 HydrophobicContact CB-CG 3.52Å; F539-P646 HydrophobicContact CD1-CB 3.87Å; F539-P646 HydrophobicContact CD1-CG 3.79Å; F539-P646 HydrophobicContact CD2-CB 4.41Å; F539-P646 HydrophobicContact CD2-CG 3.68Å; F539-P646 HydrophobicContact CE1-CB 4.07Å; F539-P646 HydrophobicContact CE1-CG 4.33Å; F539-P646 HydrophobicContact CE2-CG 4.23Å; F539-P646 HydrophobicContact CG-CB 4.03Å; F539-P646 HydrophobicContact CG-CG 3.41Å; F539-P646 VanDerWaalsContact CG-CG 3.41Å; F539-P646 HydrophobicContact CZ-CB 4.41Å; F539-G647 VanDerWaalsContact CE2-CA 3.45Å; F539-G647 VanDerWaalsContact CZ-CA 3.47Å; F539-L1165 HydrophobicContact CD1-CB 4.31Å; F539-L1165 HydrophobicContact CE1-CB 4.17Å; F539-I1166 CarbonylContact O-C 3.56Å; F539-I1166 WeakPolarHBondContact O-CA 3.28Å; F539-V1167 HydrophobicContact CB-CB 3.87Å; F539-V1167 HydrophobicContact CB-CG2 3.92Å; F539-V1167 HydrophobicContact CD1-CG2 3.99Å; F539-V1167 HydrophobicContact CG-CG2 4.39Å; F539-V1167 PolarHBondContact N-O 3.18Å; F539-V1167 PolarHBondContact O-N 3.33Å
540	C	92.3	Very high	84.5	Confident	35 Å²	35	50.6 Å²	50.6	24%	0.236	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	66.4	-179.4	-60.6	0	0	0	0	110.1	Y1139 L1165	C540-Y1139 HydrophobicContact CB-CD2 4.22Å; C540-Y1139 HydrophobicContact CB-CE2 3.69Å; C540-L1165 WeakPolarHBondContact CA-O 3.3Å
541	Q	91.9	Very high	86.1	Confident	88 Å²	88	49.1 Å²	49.1	41%	0.411	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	164.2	-175.6	-63.1	-176.8	-16.5	0	0	111.9	F539 H1164 L1165	F539-Q541 HydrophobicContact CD2-CG 4.47Å; F539-Q541 HydrophobicContact CE1-CB 3.85Å; F539-Q541 HydrophobicContact CE2-CB 3.93Å; F539-Q541 HydrophobicContact CE2-CG 4.05Å; F539-Q541 VanDerWaalsContact CE2-OE1 3.3Å; F539-Q541 HydrophobicContact CZ-CB 3.53Å; F539-Q541 HydrophobicContact CZ-CG 4.18Å; Q541-H1164 WeakPolarHBondContact O-CA 3.22Å; Q541-L1165 PolarHBondContact N-O 2.93Å; Q541-L1165 PolarHBondContact O-N 3.45Å
542	P	91.3	Very high	87.6	Confident	8 Å²	8	45.9 Å²	45.9	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	148	171.8	-24.4	34.5	0	0	0	112.4	E545 R1159 W1162 S1163	P542-E545 HydrophobicContact CB-CG 4.44Å; P542-R1159 HydrophobicContact CG-CG 3.96Å; P542-W1162 HydrophobicContact CB-CB 4.29Å; P542-W1162 HydrophobicContact CB-CE3 3.92Å; P542-W1162 HydrophobicContact CG-CB 4.4Å; P542-W1162 HydrophobicContact CG-CE3 3.82Å; P542-S1163 CarbonylContact C-O 3.57Å; P542-S1163 VanDerWaalsContact CA-O 3.31Å; P542-S1163 WeakPolarHBondContact CA-O 3.5Å
543	L	91	Very high	88.7	Confident	10 Å²	10	45 Å²	45	5%	0.052	24%	0.243	C	C	.	.	S	Bend	trans	-68.7	-48	176.6	175.3	60.5	0	0	0	112	L550 I552 I628 I641 V649 S1163 L1165	L543-L550 HydrophobicContact CB-CD2 4.28Å; L543-L550 HydrophobicContact CD2-CD2 4.04Å; L543-L550 HydrophobicContact CG-CD2 4.35Å; L543-I552 HydrophobicContact CD2-CD1 4.22Å; L543-I552 HydrophobicContact CD2-CG1 4.25Å; L543-I628 HydrophobicContact CD1-CD1 3.89Å; L543-I628 HydrophobicContact CD2-CB 4.38Å; L543-I628 HydrophobicContact CD2-CD1 4.36Å; L543-I628 HydrophobicContact CD2-CG2 3.83Å; L543-I641 HydrophobicContact CD1-CG2 4.1Å; L543-V649 HydrophobicContact CD1-CG2 4.28Å; L543-V649 WeakPolarHBondContact O-CG2 3.43Å; L543-S1163 PolarHBondContact N-O 3Å; L543-L1165 HydrophobicContact CB-CG 4.38Å; L543-L1165 HydrophobicContact CD1-CD1 3.8Å; L543-L1165 HydrophobicContact CD1-CG 4.27Å
544	I	86.5	Confident	89.5	Confident	31 Å²	31	43.9 Å²	43.9	16%	0.159	23%	0.234	C	C	.	.			trans	-134	125.5	175.6	-62.7	168.8	0	0	0	106.8	D546 E547 L550 T652	I544-D546 HydrophobicContact CG2-CB 4.49Å; I544-E547 HydrophobicContact CB-CB 4.45Å; I544-E547 HydrophobicContact CG2-CB 4.03Å; I544-E547 HydrophobicContact CG2-CG 4.13Å; I544-L550 HydrophobicContact CB-CD2 4.22Å; I544-L550 HydrophobicContact CD1-CD2 4.16Å; I544-L550 HydrophobicContact CG1-CD2 4.33Å; I544-T652 HydrophobicContact CD1-CG2 4.11Å
545	E	81.1	Confident	90.1	Very high	89 Å²	89	43 Å²	43	42%	0.416	23%	0.231	S	C	.	.	S	Bend	trans	-80	-27.6	-176.4	-62.8	-167.1	169.7	0	0	113.3	P542 E547 R1159 W1162	P542-E545 HydrophobicContact CB-CG 4.44Å; E545-E547 VanDerWaalsContact C-N 3.29Å; E545-E547 PolarHBondContact O-N 2.96Å; E545-R1159 IonicContact OE1-CZ 2.73Å; E545-R1159 IonicContact OE1-NE 3.38Å; E545-R1159 IonicContact OE1-NH2 3.46Å; E545-R1159 PolarHBondContact OE1-NH2 2.95Å; E545-R1159 IonicContact OE2-NH2 3.45Å; E545-W1162 HydrophobicContact CB-CZ3 3.9Å; E545-W1162 HydrophobicContact CG-CZ3 4.35Å; E545-W1162 WeakPolarHBondContact O-CH2 3.45Å; E545-W1162 WeakPolarHBondContact O-CZ3 3.09Å
546	D	82.1	Confident	90.3	Very high	151 Å²	151	43.6 Å²	43.6	81%	0.807	24%	0.235	S	C	*	.	S	Bend	trans	-80.6	-7.5	-177.7	-59	-35.6	0	0	0	113.8	I544 P548	I544-D546 HydrophobicContact CG2-CB 4.49Å; D546-P548 VanDerWaalsContact O-CD 3.3Å; D546-P548 WeakPolarHBondContact O-CD 3.46Å
547	E	84.2	Confident	90.4	Very high	49 Å²	49	41.8 Å²	41.8	23%	0.229	23%	0.226	C	C	.	.			trans	-120.8	75.6	-174.8	-74.3	-75.2	176.4	0	0	110.9	I544 E545 T549 L550 H633	I544-E547 HydrophobicContact CB-CB 4.45Å; I544-E547 HydrophobicContact CG2-CB 4.03Å; I544-E547 HydrophobicContact CG2-CG 4.13Å; E545-E547 VanDerWaalsContact C-N 3.29Å; E545-E547 PolarHBondContact O-N 2.96Å; E547-T549 PolarHBondContact O-N 2.93Å; E547-T549 VanDerWaalsContact O-N 3.14Å; E547-L550 HydrophobicContact CB-CB 4.17Å; E547-L550 WeakPolarHBondContact O-CB 3.03Å; E547-L550 PolarHBondContact O-N 2.81Å; E547-L550 VanDerWaalsContact O-N 3.1Å; E547-H633 IonicContact OE2-CD2 3.66Å; E547-H633 PolarHBondContact OE2-CD2 3.07Å; E547-H633 IonicContact OE2-NE2 3.5Å; E547-H633 PolarHBondContact OE2-NE2 2.78Å
548	P	80.8	Confident	90.4	Very high	42 Å²	42	40.3 Å²	40.3	27%	0.273	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.7	-174.8	26.6	-36	0	0	0	113.7	D546 M1157 W1162	D546-P548 VanDerWaalsContact O-CD 3.3Å; D546-P548 WeakPolarHBondContact O-CD 3.46Å; P548-M1157 HydrophobicContact CB-CB 4.49Å; P548-W1162 HydrophobicContact CB-CD2 4.25Å; P548-W1162 HydrophobicContact CB-CG 4.39Å; P548-W1162 HydrophobicContact CB-CZ2 4Å
549	T	84.2	Confident	90.3	Very high	58 Å²	58	36.9 Å²	36.9	36%	0.356	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	2.6	178.7	72.8	0	0	0	0	113.8	E547 K551 H633 M1157	E547-T549 PolarHBondContact O-N 2.93Å; E547-T549 VanDerWaalsContact O-N 3.14Å; T549-K551 PolarHBondContact O-N 3.27Å; T549-H633 PolarHBondContact OG1-NE2 3.34Å; T549-M1157 HydrophobicContact CG2-SD 4.45Å
550	L	90.8	Very high	90.2	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	19%	0.193	C	C	.	.			trans	-60.3	132	-179.1	-170.2	74.4	0	0	0	111.4	L543 I544 E547 S630 S631 A632 L637 S1163	L543-L550 HydrophobicContact CB-CD2 4.28Å; L543-L550 HydrophobicContact CD2-CD2 4.04Å; L543-L550 HydrophobicContact CG-CD2 4.35Å; I544-L550 HydrophobicContact CB-CD2 4.22Å; I544-L550 HydrophobicContact CD1-CD2 4.16Å; I544-L550 HydrophobicContact CG1-CD2 4.33Å; E547-L550 HydrophobicContact CB-CB 4.17Å; E547-L550 WeakPolarHBondContact O-CB 3.03Å; E547-L550 PolarHBondContact O-N 2.81Å; E547-L550 VanDerWaalsContact O-N 3.1Å; L550-S630 VanDerWaalsContact CD1-CB 3.46Å; L550-S631 CarbonylContact C-O 3.57Å; L550-S631 WeakPolarHBondContact CA-O 3.19Å; L550-A632 HydrophobicContact CD1-CB 3.98Å; L550-L637 HydrophobicContact CD1-CD1 3.71Å; L550-S1163 WeakPolarHBondContact O-CB 3.39Å; L550-S1163 PolarHBondContact O-OG 3.39Å
551	K	92.5	Very high	89.8	Confident	92 Å²	92	36.9 Å²	36.9	40%	0.4	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.9	174.5	-65.5	-171.4	171.6	-176	0	111.4	T549 W553 S630 S631 E1137 S1163	T549-K551 PolarHBondContact O-N 3.27Å; K551-W553 PolarHBondContact O-NE1 3.45Å; K551-S630 CarbonylContact O-C 3.57Å; K551-S630 WeakPolarHBondContact O-CA 3.33Å; K551-S630 WeakPolarHBondContact O-CB 3.29Å; K551-S631 PolarHBondContact N-O 3.33Å; K551-S631 PolarHBondContact O-N 3.24Å; K551-E1137 WeakPolarHBondContact CD-OE1 3.45Å; K551-E1137 HydrophobicContact CG-CG 4.49Å; K551-E1137 WeakPolarHBondContact CG-OE1 3.49Å; K551-S1163 WeakPolarHBondContact CA-OG 3.48Å
552	I	95.2	Very high	89.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	141.8	177.1	-71.4	170	0	0	0	111	L543 I628 K1102 F1103 S1163 L1165	L543-I552 HydrophobicContact CD2-CD1 4.22Å; L543-I552 HydrophobicContact CD2-CG1 4.25Å; I552-I628 HydrophobicContact CG1-CG2 4.44Å; I552-I628 HydrophobicContact CG2-CG2 4.38Å; I552-K1102 HydrophobicContact CG2-CB 4.09Å; I552-K1102 HydrophobicContact CG2-CG 4.44Å; I552-K1102 WeakPolarHBondContact O-CD 3.44Å; I552-K1102 VanDerWaalsContact O-CG 3.29Å; I552-K1102 WeakPolarHBondContact O-CG 3.41Å; I552-F1103 HydrophobicContact CG2-CD1 3.64Å; I552-F1103 HydrophobicContact CG2-CE1 3.4Å; I552-S1163 PolarHBondContact N-OG 3.29Å; I552-L1165 HydrophobicContact CD1-CD2 4.02Å
553	W	94.5	Very high	89.4	Confident	31 Å²	31	32.7 Å²	32.7	12%	0.117	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	-54.5	179.6	-64.4	86.9	0	0	0	113.7	K551 C629 S631 H659 V660 L661 L751	K551-W553 PolarHBondContact O-NE1 3.45Å; W553-C629 PolarHBondContact N-O 3.04Å; W553-S631 VanDerWaalsContact NE1-CB 3.32Å; W553-H659 HydrophobicContact CH2-CB 4.46Å; W553-H659 HydrophobicContact CZ2-CB 4.39Å; W553-H659 AromaticContact CZ2-CE1 3.96Å; W553-H659 AromaticContact CZ2-CG 3.84Å; W553-H659 AromaticContact CZ2-ND1 3.77Å; W553-V660 VanDerWaalsContact CB-O 3.31Å; W553-V660 WeakPolarHBondContact CB-O 3.3Å; W553-L661 HydrophobicContact CE3-CD2 4.46Å; W553-L751 HydrophobicContact CE3-CD1 4.12Å; W553-L751 HydrophobicContact CE3-CD2 3.76Å; W553-L751 HydrophobicContact CE3-CG 4.43Å; W553-L751 HydrophobicContact CH2-CB 4.15Å; W553-L751 HydrophobicContact CH2-CD2 3.72Å; W553-L751 HydrophobicContact CH2-CG 4.28Å; W553-L751 HydrophobicContact CZ3-CB 3.87Å; W553-L751 HydrophobicContact CZ3-CD1 3.5Å; W553-L751 VanDerWaalsContact CZ3-CD1 3.5Å; W553-L751 HydrophobicContact CZ3-CD2 3.06Å; W553-L751 HydrophobicContact CZ3-CG 3.56Å
554	C	96.6	Very high	89.2	Confident	13 Å²	13	33.3 Å²	33.3	9%	0.088	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	163.5	-176	56.7	0	0	0	0	110.8	C629 I663	C554-C629 PolarHBondContact N-O 3.33Å; C554-C629 PolarHBondContact O-N 3.12Å; C554-I663 HydrophobicContact CB-CG2 4.05Å
555	A	97.8	Very high	89	Confident	14 Å²	14	32.5 Å²	32.5	12%	0.116	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	157.9	175.6	0	0	0	0	0	110.9	V626 W627 I628 F1103 V1105	A555-V626 HydrophobicContact CB-CG1 4.27Å; A555-W627 CarbonylContact C-O 3.48Å; A555-W627 WeakPolarHBondContact CA-O 3.2Å; A555-W627 VanDerWaalsContact CB-O 3.28Å; A555-W627 WeakPolarHBondContact CB-O 3.27Å; A555-I628 HydrophobicContact CB-CB 4.39Å; A555-I628 HydrophobicContact CB-CG1 3.91Å; A555-F1103 HydrophobicContact CB-CD1 3.65Å; A555-F1103 HydrophobicContact CB-CD2 3.68Å; A555-F1103 HydrophobicContact CB-CE1 3.53Å; A555-F1103 HydrophobicContact CB-CE2 3.6Å; A555-F1103 HydrophobicContact CB-CG 3.71Å; A555-F1103 HydrophobicContact CB-CZ 3.53Å; A555-V1105 HydrophobicContact CB-CG2 4.05Å
556	A	96.4	Very high	88.9	Confident	12 Å²	12	34.3 Å²	34.3	10%	0.099	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	140.1	172.6	0	0	0	0	0	111	V626 W627 I663	A556-V626 WeakPolarHBondContact O-CA 3.19Å; A556-W627 PolarHBondContact N-O 3.44Å; A556-W627 PolarHBondContact O-N 3.26Å; A556-I663 HydrophobicContact CB-CB 4.44Å; A556-I663 HydrophobicContact CB-CD1 4.38Å; A556-I663 HydrophobicContact CB-CG1 3.96Å; A556-I663 HydrophobicContact CB-CG2 3.89Å
557	A	94.1	Very high	88.8	Confident	11 Å²	11	31.8 Å²	31.8	9%	0.091	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	139.9	162.8	0	0	0	0	0	109.9	S665 V1105 V1107	A557-S665 WeakPolarHBondContact O-CB 3.36Å; A557-V1105 HydrophobicContact CB-CG1 3.66Å; A557-V1107 HydrophobicContact CB-CG1 3.41Å; A557-V1107 VanDerWaalsContact CB-CG1 3.41Å
558	V	92.7	Very high	88.5	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.006	16%	0.158	C	C	.	.			trans	-90.2	128.1	-177.2	-178	0	0	0	0	110.6	L560 S623 L625 W627 A833	V558-L560 HydrophobicContact CG1-CD2 3.55Å; V558-L560 HydrophobicContact CG1-CG 3.89Å; V558-S623 VanDerWaalsContact O-CB 3.31Å; V558-S623 WeakPolarHBondContact O-CB 3.29Å; V558-S623 PolarHBondContact O-N 3.42Å; V558-S623 PolarHBondContact O-OG 3.32Å; V558-L625 HydrophobicContact CB-CB 4.04Å; V558-L625 HydrophobicContact CG2-CB 3.97Å; V558-L625 WeakPolarHBondContact CG2-O 3.49Å; V558-L625 PolarHBondContact N-O 3.41Å; V558-W627 HydrophobicContact CG2-CG 4.08Å; V558-A833 HydrophobicContact CG1-CB 3.71Å
559	D	89.2	Confident	88.5	Confident	9 Å²	9	27.7 Å²	27.7	5%	0.048	15%	0.145	C	C	.	.			trans	-101.7	110.8	171	-171	-14.1	0	0	0	109.7	R561 S665 R667	D559-R561 VanDerWaalsContact OD1-CB 3.31Å; D559-R561 WeakPolarHBondContact OD1-CB 3.12Å; D559-R561 VanDerWaalsContact OD1-CG 3.29Å; D559-R561 WeakPolarHBondContact OD1-CG 3.03Å; D559-R561 IonicContact OD1-CZ 3.64Å; D559-R561 PolarHBondContact OD1-N 3.09Å; D559-R561 VanDerWaalsContact OD1-N 3.1Å; D559-R561 IonicContact OD1-NE 3.11Å; D559-R561 PolarHBondContact OD1-NE 2.92Å; D559-R561 IonicContact OD1-NH2 2.84Å; D559-R561 IonicContact OD2-CZ 3.5Å; D559-R561 IonicContact OD2-NE 2.76Å; D559-R561 PolarHBondContact OD2-NE 2.86Å; D559-R561 IonicContact OD2-NH2 3.32Å; D559-R561 PolarHBondContact OD2-NH2 3.12Å; D559-S665 PolarHBondContact N-OG 3.12Å; D559-R667 HydrophobicContact CB-CG 4.07Å; D559-R667 VanDerWaalsContact CG-CG 3.42Å; D559-R667 WeakPolarHBondContact OD2-CD 3.16Å; D559-R667 WeakPolarHBondContact OD2-CG 3.45Å
560	L	88	Confident	88.4	Confident	13 Å²	13	26.1 Å²	26.1	7%	0.068	13%	0.133	C	C	.	.			trans	-95.1	13.5	-175.7	-63.1	173.6	0	0	0	113.3	V558 L625 L795 P796 I799 P817 A833 V834	V558-L560 HydrophobicContact CG1-CD2 3.55Å; V558-L560 HydrophobicContact CG1-CG 3.89Å; L560-L625 HydrophobicContact CD1-CD1 4.34Å; L560-L795 HydrophobicContact CD1-CD2 4.12Å; L560-P796 HydrophobicContact CD1-CG 3.9Å; L560-I799 HydrophobicContact CB-CD1 3.81Å; L560-I799 HydrophobicContact CD1-CD1 3.88Å; L560-I799 HydrophobicContact CG-CD1 4.29Å; L560-P817 VanDerWaalsContact C-CG 3.47Å; L560-P817 HydrophobicContact CD2-CB 4.27Å; L560-P817 WeakPolarHBondContact O-CG 3.2Å; L560-A833 HydrophobicContact CD2-CB 3.96Å; L560-V834 HydrophobicContact CD2-CG2 4.26Å
561	R	85.9	Confident	87.7	Confident	46 Å²	46	26 Å²	26	17%	0.174	13%	0.132	C	C	.	.			trans	-79	162.3	179.3	-65.6	179.4	-67.9	174.6	-3.2	113.2	D559 H618 G668 P817	D559-R561 VanDerWaalsContact OD1-CB 3.31Å; D559-R561 WeakPolarHBondContact OD1-CB 3.12Å; D559-R561 VanDerWaalsContact OD1-CG 3.29Å; D559-R561 WeakPolarHBondContact OD1-CG 3.03Å; D559-R561 IonicContact OD1-CZ 3.64Å; D559-R561 PolarHBondContact OD1-N 3.09Å; D559-R561 VanDerWaalsContact OD1-N 3.1Å; D559-R561 IonicContact OD1-NE 3.11Å; D559-R561 PolarHBondContact OD1-NE 2.92Å; D559-R561 IonicContact OD1-NH2 2.84Å; D559-R561 IonicContact OD2-CZ 3.5Å; D559-R561 IonicContact OD2-NE 2.76Å; D559-R561 PolarHBondContact OD2-NE 2.86Å; D559-R561 IonicContact OD2-NH2 3.32Å; D559-R561 PolarHBondContact OD2-NH2 3.12Å; R561-H618 PolarHBondContact NH2-CE1 2.98Å; R561-H618 PolarHBondContact NH2-ND1 2.84Å; R561-H618 VanDerWaalsContact NH2-ND1 3.11Å; R561-G668 PolarHBondContact O-N 2.8Å; R561-P817 WeakPolarHBondContact O-CG 3.17Å
562	G	86.2	Confident	86.8	Confident	9 Å²	9	22.9 Å²	22.9	9%	0.093	12%	0.12	C	C	.	.			trans	85.2	-159.2	-176.9	0	0	0	0	0	111.7	F570 T669	G562-F570 WeakPolarHBondContact O-CE2 3.46Å; G562-T669 CarbonylContact C-O 3.59Å
563	G	87.2	Confident	85.5	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.			trans	92.5	33.7	-173.7	0	0	0	0	0	112.7	I571 T669	G563-I571 VanDerWaalsContact O-CB 3.3Å; G563-I571 WeakPolarHBondContact O-CB 3.48Å; G563-I571 VanDerWaalsContact O-CG1 3.25Å; G563-I571 WeakPolarHBondContact O-CG1 3.19Å; G563-I571 PolarHBondContact O-N 3.28Å; G563-T669 PolarHBondContact N-O 3.26Å
564	F	86.1	Confident	84.2	Confident	22 Å²	22	23.2 Å²	23.2	10%	0.096	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-89	145.4	172.4	-65.7	-89.7	0	0	0	111	G569 F570 K582 T669 L671 Y674 I815	F564-G569 CarbonylContact C-O 3.56Å; F564-G569 VanDerWaalsContact CA-O 3.31Å; F564-G569 WeakPolarHBondContact CA-O 3.49Å; F564-F570 HydrophobicContact CD1-CB 4.15Å; F564-F570 HydrophobicContact CD1-CD2 4.01Å; F564-F570 HydrophobicContact CD2-CD2 4.33Å; F564-F570 HydrophobicContact CE1-CB 3.99Å; F564-F570 AromaticContact CE1-CD2 3.63Å; F564-F570 HydrophobicContact CE1-CD2 3.63Å; F564-F570 HydrophobicContact CE1-CG 4.24Å; F564-F570 AromaticContact CE2-CD2 3.98Å; F564-F570 HydrophobicContact CE2-CD2 3.98Å; F564-F570 HydrophobicContact CE2-CE2 4.29Å; F564-F570 HydrophobicContact CG-CD2 4.36Å; F564-F570 AromaticContact CZ-CD2 3.62Å; F564-F570 HydrophobicContact CZ-CD2 3.62Å; F564-F570 HydrophobicContact CZ-CE2 4.19Å; F564-K582 HydrophobicContact CE1-CB 4.5Å; F564-K582 HydrophobicContact CE1-CD 4.1Å; F564-K582 HydrophobicContact CZ-CD 4.22Å; F564-T669 PolarHBondContact N-O 2.82Å; F564-L671 HydrophobicContact CB-CB 4.4Å; F564-L671 HydrophobicContact CG-CB 4.34Å; F564-Y674 VanDerWaalsContact O-CE2 3.29Å; F564-Y674 WeakPolarHBondContact O-CE2 3.47Å; F564-Y674 PolarHBondContact O-OH 2.83Å; F564-I815 WeakPolarHBondContact O-CG2 3.31Å
565	T	83.1	Confident	83	Confident	14 Å²	14	24 Å²	24	9%	0.086	13%	0.133	C	C	.	.			trans	-86.3	162.9	167.6	45.5	0	0	0	0	110.2	D567 G568 G569 I571 V576 Y674	T565-D567 WeakPolarHBondContact CB-OD1 3.17Å; T565-D567 PolarHBondContact O-N 2.85Å; T565-D567 PolarHBondContact OG1-OD1 2.83Å; T565-G568 PolarHBondContact O-N 2.79Å; T565-G569 PolarHBondContact N-O 3.36Å; T565-G569 VanDerWaalsContact OG1-C 3.28Å; T565-G569 WeakPolarHBondContact OG1-CA 3.49Å; T565-G569 PolarHBondContact OG1-N 2.92Å; T565-G569 VanDerWaalsContact OG1-N 3.11Å; T565-G569 PolarHBondContact OG1-O 3Å; T565-I571 HydrophobicContact CG2-CD1 3.73Å; T565-I571 HydrophobicContact CG2-CG1 3.7Å; T565-V576 HydrophobicContact CG2-CG1 4.17Å; T565-V576 HydrophobicContact CG2-CG2 4.09Å; T565-Y674 VanDerWaalsContact C-CE2 3.43Å; T565-Y674 WeakPolarHBondContact CA-OH 3.26Å; T565-Y674 WeakPolarHBondContact O-CE2 3.37Å
566	E	79.2	Confident	82.1	Confident	127 Å²	127	25.4 Å²	25.4	59%	0.593	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.1	-175.7	-174.1	175.7	-174.9	0	0	113.3	G568 Y674	E566-G568 VanDerWaalsContact C-N 3.25Å; E566-G568 PolarHBondContact O-N 2.89Å; E566-Y674 HydrophobicContact CB-CD1 3.62Å; E566-Y674 HydrophobicContact CB-CE1 3.59Å; E566-Y674 HydrophobicContact CB-CG 4.2Å; E566-Y674 HydrophobicContact CG-CD1 3.7Å; E566-Y674 HydrophobicContact CG-CE1 4.18Å; E566-Y674 HydrophobicContact CG-CG 4.2Å; E566-Y674 VanDerWaalsContact N-CZ 3.32Å
567	D	79.4	Confident	81.2	Confident	98 Å²	98	29 Å²	29	52%	0.524	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	10.8	178.5	63.7	-5.7	0	0	0	113.5	T565 G569 Y578	T565-D567 WeakPolarHBondContact CB-OD1 3.17Å; T565-D567 PolarHBondContact O-N 2.85Å; T565-D567 PolarHBondContact OG1-OD1 2.83Å; D567-G569 VanDerWaalsContact C-N 3.35Å; D567-G569 PolarHBondContact OD1-N 2.87Å; D567-Y578 HydrophobicContact CB-CE1 4.35Å; D567-Y578 VanDerWaalsContact CG-OH 3.28Å; D567-Y578 WeakPolarHBondContact OD1-CE1 3.25Å; D567-Y578 PolarHBondContact OD1-OH 2.87Å; D567-Y578 WeakPolarHBondContact OD2-CE1 3.36Å; D567-Y578 PolarHBondContact OD2-OH 2.95Å
568	G	78	Confident	80.4	Confident	5 Å²	5	34.7 Å²	34.7	5%	0.052	17%	0.174	C	C	.	.	S	Bend	trans	82.8	7.9	177.1	0	0	0	0	0	114.9	T565 E566	T565-G568 PolarHBondContact O-N 2.79Å; E566-G568 VanDerWaalsContact C-N 3.25Å; E566-G568 PolarHBondContact O-N 2.89Å
569	G	81.6	Confident	79.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-73.5	136.4	173	0	0	0	0	0	112.4	F564 T565 D567 V576 F577 Y578	F564-G569 CarbonylContact C-O 3.56Å; F564-G569 VanDerWaalsContact CA-O 3.31Å; F564-G569 WeakPolarHBondContact CA-O 3.49Å; T565-G569 PolarHBondContact N-O 3.36Å; T565-G569 VanDerWaalsContact OG1-C 3.28Å; T565-G569 WeakPolarHBondContact OG1-CA 3.49Å; T565-G569 PolarHBondContact OG1-N 2.92Å; T565-G569 VanDerWaalsContact OG1-N 3.11Å; T565-G569 PolarHBondContact OG1-O 3Å; D567-G569 VanDerWaalsContact C-N 3.35Å; D567-G569 PolarHBondContact OD1-N 2.87Å; G569-V576 VanDerWaalsContact CA-CG1 3.42Å; G569-F577 CarbonylContact C-O 3.58Å; G569-Y578 VanDerWaalsContact CA-CE1 3.46Å
570	F	81.4	Confident	77.4	Confident	25 Å²	25	44.6 Å²	44.6	11%	0.11	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122	175.9	-175.2	-107.5	0	0	0	110.3	G562 F564 I572 F577	G562-F570 WeakPolarHBondContact O-CE2 3.46Å; F564-F570 HydrophobicContact CD1-CB 4.15Å; F564-F570 HydrophobicContact CD1-CD2 4.01Å; F564-F570 HydrophobicContact CD2-CD2 4.33Å; F564-F570 HydrophobicContact CE1-CB 3.99Å; F564-F570 AromaticContact CE1-CD2 3.63Å; F564-F570 HydrophobicContact CE1-CD2 3.63Å; F564-F570 HydrophobicContact CE1-CG 4.24Å; F564-F570 AromaticContact CE2-CD2 3.98Å; F564-F570 HydrophobicContact CE2-CD2 3.98Å; F564-F570 HydrophobicContact CE2-CE2 4.29Å; F564-F570 HydrophobicContact CG-CD2 4.36Å; F564-F570 AromaticContact CZ-CD2 3.62Å; F564-F570 HydrophobicContact CZ-CD2 3.62Å; F564-F570 HydrophobicContact CZ-CE2 4.19Å; F570-I572 HydrophobicContact CD1-CD1 3.82Å; F570-I572 HydrophobicContact CD1-CG1 3.52Å; F570-I572 HydrophobicContact CE1-CD1 3.93Å; F570-I572 HydrophobicContact CE1-CG1 3.64Å; F570-F577 PolarHBondContact N-O 3.39Å; F570-F577 PolarHBondContact O-N 2.89Å
571	I	77.6	Confident	76	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	126	-176.8	-56.6	171.5	0	0	0	109.4	G563 T565 S575 V576 F812 I815 L816	G563-I571 VanDerWaalsContact O-CB 3.3Å; G563-I571 WeakPolarHBondContact O-CB 3.48Å; G563-I571 VanDerWaalsContact O-CG1 3.25Å; G563-I571 WeakPolarHBondContact O-CG1 3.19Å; G563-I571 PolarHBondContact O-N 3.28Å; T565-I571 HydrophobicContact CG2-CD1 3.73Å; T565-I571 HydrophobicContact CG2-CG1 3.7Å; I571-S575 WeakPolarHBondContact CA-O 3.29Å; I571-V576 HydrophobicContact CG1-CG2 4.36Å; I571-F812 HydrophobicContact CD1-CB 3.83Å; I571-F812 HydrophobicContact CD1-CD1 4.13Å; I571-F812 HydrophobicContact CD1-CG 3.93Å; I571-F812 HydrophobicContact CG2-CB 4.37Å; I571-F812 HydrophobicContact CG2-CD2 4.26Å; I571-I815 HydrophobicContact CD1-CB 3.99Å; I571-I815 HydrophobicContact CD1-CD1 4.23Å; I571-I815 HydrophobicContact CD1-CG2 3.62Å; I571-L816 HydrophobicContact CB-CD2 3.99Å; I571-L816 HydrophobicContact CG2-CD1 4.27Å; I571-L816 HydrophobicContact CG2-CD2 3.9Å; I571-L816 HydrophobicContact CG2-CG 4.19Å
572	I	71.9	Confident	74.4	Confident	27 Å²	27	51.9 Å²	51.9	14%	0.138	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	115	169	-36	176.9	0	0	0	108.7	F570 S574 S575 F577 H798	F570-I572 HydrophobicContact CD1-CD1 3.82Å; F570-I572 HydrophobicContact CD1-CG1 3.52Å; F570-I572 HydrophobicContact CE1-CD1 3.93Å; F570-I572 HydrophobicContact CE1-CG1 3.64Å; I572-S574 PolarHBondContact O-N 2.75Å; I572-S575 PolarHBondContact N-O 3.3Å; I572-S575 PolarHBondContact O-N 3.19Å; I572-F577 HydrophobicContact CB-CD2 4.08Å; I572-F577 HydrophobicContact CB-CE2 3.92Å; I572-F577 HydrophobicContact CD1-CD2 3.71Å; I572-F577 HydrophobicContact CD1-CE2 3.98Å; I572-F577 HydrophobicContact CD1-CG 4.31Å; I572-F577 HydrophobicContact CG1-CD2 3.71Å; I572-F577 HydrophobicContact CG1-CE2 4.03Å; I572-H798 WeakPolarHBondContact CG2-O 3.46Å
573	G	68.5	Low	72.9	Confident	4 Å²	4	53.9 Å²	53.9	4%	0.041	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	-124.7	-168.2	0	0	0	0	0	111.1	F806	G573-F806 CarbonylContact C-O 3.57Å
574	S	67.5	Low	71.1	Confident	33 Å²	33	61.5 Å²	61.5	23%	0.231	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	6.7	176.2	-46.7	0	0	0	0	113.2	I572 F806 Y809	I572-S574 PolarHBondContact O-N 2.75Å; S574-F806 WeakPolarHBondContact CA-O 3.48Å; S574-F806 WeakPolarHBondContact CB-O 3.45Å; S574-F806 PolarHBondContact N-O 3.32Å; S574-F806 PolarHBondContact OG-O 3.35Å; S574-Y809 PolarHBondContact OG-N 3.36Å; S574-Y809 PolarHBondContact OG-O 3.43Å
575	S	70.8	Confident	69.5	Low	30 Å²	30	67.5 Å²	67.5	21%	0.21	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	154.3	-179.5	-81.4	0	0	0	0	112.7	I571 I572 F806	I571-S575 WeakPolarHBondContact CA-O 3.29Å; I572-S575 PolarHBondContact N-O 3.3Å; I572-S575 PolarHBondContact O-N 3.19Å; S575-F806 VanDerWaalsContact CB-CD2 3.43Å; S575-F806 WeakPolarHBondContact OG-CD1 3.22Å; S575-F806 VanDerWaalsContact OG-CD2 3.29Å; S575-F806 WeakPolarHBondContact OG-CD2 3.24Å; S575-F806 WeakPolarHBondContact OG-CE1 3.43Å; S575-F806 WeakPolarHBondContact OG-CE2 3.04Å; S575-F806 WeakPolarHBondContact OG-CG 2.75Å; S575-F806 WeakPolarHBondContact OG-CZ 3.22Å
576	V	78.6	Confident	68	Low	43 Å²	43	69.3 Å²	69.3	26%	0.261	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126	179.9	-176	0	0	0	0	109.1	T565 G569 I571 Y578 F812	T565-V576 HydrophobicContact CG2-CG1 4.17Å; T565-V576 HydrophobicContact CG2-CG2 4.09Å; G569-V576 VanDerWaalsContact CA-CG1 3.42Å; I571-V576 HydrophobicContact CG1-CG2 4.36Å; V576-Y578 HydrophobicContact CG1-CE1 4.46Å; V576-Y578 HydrophobicContact CG1-CE2 4Å; V576-F812 HydrophobicContact CG2-CE2 4.48Å; V576-F812 HydrophobicContact CG2-CZ 4.36Å
577	F	78.5	Confident	66.6	Low	89 Å²	89	68 Å²	68	39%	0.39	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.5	-176.4	-67.4	-93.6	0	0	0	111.3	G569 F570 I572 F806	G569-F577 CarbonylContact C-O 3.58Å; F570-F577 PolarHBondContact N-O 3.39Å; F570-F577 PolarHBondContact O-N 2.89Å; I572-F577 HydrophobicContact CB-CD2 4.08Å; I572-F577 HydrophobicContact CB-CE2 3.92Å; I572-F577 HydrophobicContact CD1-CD2 3.71Å; I572-F577 HydrophobicContact CD1-CE2 3.98Å; I572-F577 HydrophobicContact CD1-CG 4.31Å; I572-F577 HydrophobicContact CG1-CD2 3.71Å; I572-F577 HydrophobicContact CG1-CE2 4.03Å; F577-F806 HydrophobicContact CE2-CE2 4.26Å; F577-F806 HydrophobicContact CZ-CD2 4.43Å; F577-F806 AromaticContact CZ-CE2 3.74Å; F577-F806 HydrophobicContact CZ-CE2 3.74Å
578	Y	77.2	Confident	65.3	Low	129 Å²	129	67.3 Å²	67.3	51%	0.506	33%	0.33	S	S	.	.			trans	-106.7	120	177.7	-54.9	-94.6	0	0	0	109	D567 G569 V576	D567-Y578 HydrophobicContact CB-CE1 4.35Å; D567-Y578 VanDerWaalsContact CG-OH 3.28Å; D567-Y578 WeakPolarHBondContact OD1-CE1 3.25Å; D567-Y578 PolarHBondContact OD1-OH 2.87Å; D567-Y578 WeakPolarHBondContact OD2-CE1 3.36Å; D567-Y578 PolarHBondContact OD2-OH 2.95Å; G569-Y578 VanDerWaalsContact CA-CE1 3.46Å; V576-Y578 HydrophobicContact CG1-CE1 4.46Å; V576-Y578 HydrophobicContact CG1-CE2 4Å
579	S	64.6	Low	63.7	Low	39 Å²	39	71.3 Å²	71.3	27%	0.273	36%	0.357	S	S	.	.			trans	-112.2	137.1	167.8	73.8	0	0	0	0	110.2	E581 K582 L583	S579-E581 VanDerWaalsContact C-N 3.28Å; S579-E581 PolarHBondContact O-N 3.09Å; S579-K582 VanDerWaalsContact OG-CB 3.25Å; S579-K582 WeakPolarHBondContact OG-CB 3.48Å; S579-K582 VanDerWaalsContact OG-CG 3.28Å; S579-K582 WeakPolarHBondContact OG-CG 3.32Å; S579-K582 PolarHBondContact OG-N 2.75Å; S579-L583 WeakPolarHBondContact O-CG 3.36Å; S579-L583 PolarHBondContact O-N 3.18Å
580	K	54.8	Low	62	Low	180 Å²	180	78.2 Å²	78.2	78%	0.783	39%	0.389	S	S	*	.	H	α-helix	trans	-63.6	-35.5	177.7	-81	-174.7	175.2	-178.9	0	111.4	L583 Q584	K580-L583 PolarHBondContact O-N 3.36Å; K580-Q584 WeakPolarHBondContact O-CB 3.38Å; K580-Q584 PolarHBondContact O-N 2.79Å
581	E	57.1	Low	60.4	Low	140 Å²	140	81.2 Å²	81.2	65%	0.654	41%	0.411	S	S	*	.	H	α-helix	trans	-65.8	-44.8	179.8	-55.2	92.6	-169.2	0	0	112.3	S579 L583 Q584 E585	S579-E581 VanDerWaalsContact C-N 3.28Å; S579-E581 PolarHBondContact O-N 3.09Å; E581-L583 VanDerWaalsContact C-N 3.32Å; E581-L583 PolarHBondContact O-N 3.16Å; E581-Q584 PolarHBondContact O-N 3.31Å; E581-Q584 VanDerWaalsContact O-N 3.12Å; E581-E585 PolarHBondContact O-N 2.83Å
582	K	54.1	Low	59.2	Low	72 Å²	72	84.6 Å²	84.6	31%	0.313	45%	0.447	S	S	.	.	H	α-helix	trans	-68.9	-29.2	-180	-74	-177.2	175	-175.5	0	113	F564 S579 Q584 N586	F564-K582 HydrophobicContact CE1-CB 4.5Å; F564-K582 HydrophobicContact CE1-CD 4.1Å; F564-K582 HydrophobicContact CZ-CD 4.22Å; S579-K582 VanDerWaalsContact OG-CB 3.25Å; S579-K582 WeakPolarHBondContact OG-CB 3.48Å; S579-K582 VanDerWaalsContact OG-CG 3.28Å; S579-K582 WeakPolarHBondContact OG-CG 3.32Å; S579-K582 PolarHBondContact OG-N 2.75Å; K582-Q584 VanDerWaalsContact C-N 3.33Å; K582-N586 PolarHBondContact O-ND2 3.01Å
583	L	53.3	Low	58.2	Low	51 Å²	51	88.6 Å²	88.6	27%	0.267	48%	0.477	S	S	.	.	H	α-helix	trans	-66.9	-38.7	171.9	-72.5	168.4	0	0	0	110.7	S579 K580 E581 L587 L671	S579-L583 WeakPolarHBondContact O-CG 3.36Å; S579-L583 PolarHBondContact O-N 3.18Å; K580-L583 PolarHBondContact O-N 3.36Å; E581-L583 VanDerWaalsContact C-N 3.32Å; E581-L583 PolarHBondContact O-N 3.16Å; L583-L587 WeakPolarHBondContact O-CB 3.42Å; L583-L587 WeakPolarHBondContact O-CD1 3.47Å; L583-L587 WeakPolarHBondContact O-CG 3.46Å; L583-L587 PolarHBondContact O-N 3.47Å; L583-L671 HydrophobicContact CD2-CD2 4.22Å
584	Q	49.4	Very low	57.2	Low	160 Å²	160	92.4 Å²	92.4	75%	0.748	50%	0.495	S	S	*	.	H	α-helix	trans	-78.6	-32.7	-174.7	-150.9	162.7	3.4	0	0	113.2	K580 E581 K582	K580-Q584 WeakPolarHBondContact O-CB 3.38Å; K580-Q584 PolarHBondContact O-N 2.79Å; E581-Q584 PolarHBondContact O-N 3.31Å; E581-Q584 VanDerWaalsContact O-N 3.12Å; K582-Q584 VanDerWaalsContact C-N 3.33Å
585	E	53.7	Low	57	Low	148 Å²	148	96 Å²	96	69%	0.692	52%	0.521	S	S	*	.	H	α-helix	trans	-68.8	-30.3	172.9	-78.6	-175	154.8	0	0	113.5	E581	E581-E585 PolarHBondContact O-N 2.83Å
586	N	50	Low	56.9	Low	51 Å²	51	98.7 Å²	98.7	27%	0.273	53%	0.532	S	S	.	.	H	α-helix	trans	-93.3	-19.2	-175.9	-76.9	-56.2	0	0	0	114.1	K582 L588 L671	K582-N586 PolarHBondContact O-ND2 3.01Å; N586-L588 PolarHBondContact O-N 3.12Å; N586-L671 HydrophobicContact CB-CB 4.06Å; N586-L671 HydrophobicContact CB-CD2 3.73Å; N586-L671 HydrophobicContact CB-CG 4.25Å
587	L	51.5	Low	57	Low	100 Å²	100	103.8 Å²	103.8	52%	0.524	55%	0.553	S	S	.	*			trans	-97.5	65.7	178.4	-64.5	173.9	0	0	0	110.3	L583 S589	L583-L587 WeakPolarHBondContact O-CB 3.42Å; L583-L587 WeakPolarHBondContact O-CD1 3.47Å; L583-L587 WeakPolarHBondContact O-CG 3.46Å; L583-L587 PolarHBondContact O-N 3.47Å; L587-S589 PolarHBondContact O-N 2.94Å
588	L	51.3	Low	57	Low	84 Å²	84	106.1 Å²	106.1	44%	0.44	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-63.3	118.9	160.5	-74	166.8	0	0	0	107.3	N586 M610	N586-L588 PolarHBondContact O-N 3.12Å; L588-M610 HydrophobicContact CD1-CE 3.48Å; L588-M610 VanDerWaalsContact CD1-CE 3.48Å; L588-M610 HydrophobicContact CD1-SD 3.98Å
589	S	45	Very low	57	Low	89 Å²	89	103.6 Å²	103.6	62%	0.622	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-51.7	138.1	-174.6	45.4	0	0	0	0	112.6	L587	L587-S589 PolarHBondContact O-N 2.94Å
590	E	46	Very low	57.5	Low	144 Å²	144	107.1 Å²	107.1	67%	0.673	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-52.4	142.2	177.6	-70.3	-158.3	162.1	0	0	112.5	G592	E590-G592 PolarHBondContact O-N 2.98Å
591	P	47.9	Very low	58.6	Low	88 Å²	88	103.6 Å²	103.6	57%	0.571	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-63.2	-6.6	176	23.4	-31.4	0	0	0	113.9	S593 M594	P591-S593 PolarHBondContact O-N 2.88Å; P591-M594 PolarHBondContact O-N 3.39Å
592	G	51.1	Low	59.5	Low	75 Å²	75	101.9 Å²	101.9	77%	0.773	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-64.5	-6.7	-175.5	0	0	0	0	0	116.4	E590	E590-G592 PolarHBondContact O-N 2.98Å
593	S	51.5	Low	60.4	Low	111 Å²	111	100.3 Å²	100.3	78%	0.776	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-113.6	6.8	-179	-167.5	0	0	0	0	115.3	P591	P591-S593 PolarHBondContact O-N 2.88Å
594	M	47.6	Very low	61.5	Low	84 Å²	84	103.1 Å²	103.1	41%	0.414	56%	0.562	S	S	.	*			trans	-101.3	112	-177.5	-61.7	-80.7	-102.6	0	0	109.9	P591 E599 H603	P591-M594 PolarHBondContact O-N 3.39Å; M594-E599 HydrophobicContact CB-CB 4.49Å; M594-E599 HydrophobicContact CE-CB 3.56Å; M594-E599 HydrophobicContact CE-CG 4.26Å; M594-E599 WeakPolarHBondContact CE-O 3.48Å; M594-E599 HydrophobicContact SD-CB 4.1Å; M594-H603 HydrophobicContact CE-CB 4.43Å
595	S	63.7	Low	62.7	Low	110 Å²	110	99.4 Å²	99.4	77%	0.769	55%	0.547	S	S	*	.			trans	-87	-14	-176.7	59.5	0	0	0	0	114.3
596	N	68.5	Low	63.8	Low	86 Å²	86	97.8 Å²	97.8	46%	0.46	54%	0.54	S	S	.	.			trans	-103.1	128.4	-177.2	-69.2	-29.3	0	0	0	111.2	L598 E599 K600	N596-L598 PolarHBondContact O-N 3.23Å; N596-E599 HydrophobicContact CB-CB 4.11Å; N596-E599 HydrophobicContact CB-CG 4.05Å; N596-E599 PolarHBondContact ND2-OE1 2.9Å; N596-E599 WeakPolarHBondContact O-CB 3.32Å; N596-E599 PolarHBondContact O-N 3.28Å; N596-K600 PolarHBondContact O-N 3Å; N596-K600 VanDerWaalsContact O-N 3.09Å
597	E	80.4	Confident	64.8	Low	149 Å²	149	97.3 Å²	97.3	70%	0.696	54%	0.538	S	S	*	.	H	α-helix	trans	-56.1	-33	175.7	-66.5	-63.9	155.3	0	0	112.7	K600 L601	E597-K600 PolarHBondContact O-N 3.1Å; E597-L601 WeakPolarHBondContact O-CB 3.45Å; E597-L601 PolarHBondContact O-N 3.48Å
598	L	78.6	Confident	65.7	Low	138 Å²	138	97.2 Å²	97.2	72%	0.723	53%	0.534	S	S	*	.	H	α-helix	trans	-66.9	-39.8	176.7	-172.7	66	0	0	0	112.3	N596 L601 D602	N596-L598 PolarHBondContact O-N 3.23Å; L598-L601 PolarHBondContact O-N 3.18Å; L598-D602 WeakPolarHBondContact O-CB 3.45Å; L598-D602 PolarHBondContact O-N 3.26Å
599	E	77.5	Confident	66.6	Low	76 Å²	76	98.9 Å²	98.9	36%	0.355	54%	0.539	S	S	.	.	H	α-helix	trans	-68.4	-37.1	176.7	-80.1	167	-158.6	0	0	111.2	M594 N596 H603	M594-E599 HydrophobicContact CB-CB 4.49Å; M594-E599 HydrophobicContact CE-CB 3.56Å; M594-E599 HydrophobicContact CE-CG 4.26Å; M594-E599 WeakPolarHBondContact CE-O 3.48Å; M594-E599 HydrophobicContact SD-CB 4.1Å; N596-E599 HydrophobicContact CB-CB 4.11Å; N596-E599 HydrophobicContact CB-CG 4.05Å; N596-E599 PolarHBondContact ND2-OE1 2.9Å; N596-E599 WeakPolarHBondContact O-CB 3.32Å; N596-E599 PolarHBondContact O-N 3.28Å; E599-H603 WeakPolarHBondContact O-CB 3.08Å; E599-H603 PolarHBondContact O-N 3.07Å
600	K	75	Confident	67.9	Low	113 Å²	113	98.9 Å²	98.9	49%	0.491	53%	0.53	S	S	.	.	H	α-helix	trans	-64.3	-43.7	173.5	-174.9	-176.5	173.9	-168.8	0	111.7	N596 E597 H603 E604	N596-K600 PolarHBondContact O-N 3Å; N596-K600 VanDerWaalsContact O-N 3.09Å; E597-K600 PolarHBondContact O-N 3.1Å; K600-H603 PolarHBondContact O-N 3.4Å; K600-E604 WeakPolarHBondContact O-CB 3.28Å; K600-E604 PolarHBondContact O-N 3.44Å
601	L	77.1	Confident	69	Low	106 Å²	106	95.3 Å²	95.3	56%	0.555	51%	0.514	S	S	*	.	H	α-helix	trans	-67.6	-40.7	177.7	-170.8	69.6	0	0	0	111.9	E597 L598 H603 E604 L605	E597-L601 WeakPolarHBondContact O-CB 3.45Å; E597-L601 PolarHBondContact O-N 3.48Å; L598-L601 PolarHBondContact O-N 3.18Å; L601-H603 VanDerWaalsContact C-N 3.33Å; L601-E604 PolarHBondContact O-N 3.03Å; L601-L605 WeakPolarHBondContact O-CB 3.42Å; L601-L605 PolarHBondContact O-N 3.08Å
602	D	77	Confident	70.1	Confident	105 Å²	105	93.5 Å²	93.5	56%	0.561	50%	0.499	S	S	*	.	H	α-helix	trans	-61.2	-43.2	174.9	-169.2	65.7	0	0	0	111.1	L598 L605 Q606	L598-D602 WeakPolarHBondContact O-CB 3.45Å; L598-D602 PolarHBondContact O-N 3.26Å; D602-L605 PolarHBondContact O-N 3.24Å; D602-Q606 WeakPolarHBondContact O-CB 3.21Å; D602-Q606 PolarHBondContact O-N 3.46Å
603	H	71.6	Confident	70.9	Confident	39 Å²	39	96.3 Å²	96.3	18%	0.181	49%	0.49	C	S	.	.	H	α-helix	trans	-62.9	-44.3	173.7	-176	-77.5	0	0	0	112.3	M594 E599 K600 L601 Q606 V607	M594-H603 HydrophobicContact CE-CB 4.43Å; E599-H603 WeakPolarHBondContact O-CB 3.08Å; E599-H603 PolarHBondContact O-N 3.07Å; K600-H603 PolarHBondContact O-N 3.4Å; L601-H603 VanDerWaalsContact C-N 3.33Å; H603-Q606 PolarHBondContact O-N 3.43Å; H603-V607 WeakPolarHBondContact O-CG2 3.26Å; H603-V607 PolarHBondContact O-N 3.2Å
604	E	76.7	Confident	71.7	Confident	110 Å²	110	93.9 Å²	93.9	51%	0.514	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-42.4	176.3	-174	176	173.4	0	0	111.9	K600 L601 V607 K608	K600-E604 WeakPolarHBondContact O-CB 3.28Å; K600-E604 PolarHBondContact O-N 3.44Å; L601-E604 PolarHBondContact O-N 3.03Å; E604-V607 PolarHBondContact O-N 3.28Å; E604-K608 WeakPolarHBondContact O-CB 3.45Å; E604-K608 WeakPolarHBondContact O-CG 3.23Å; E604-K608 PolarHBondContact O-N 2.65Å
605	L	76.1	Confident	72.6	Confident	82 Å²	82	94.3 Å²	94.3	43%	0.429	47%	0.467	S	S	.	.	H	α-helix	trans	-62.4	-42.9	175.2	-165.6	96	0	0	0	111.1	L601 D602 K608 Q609	L601-L605 WeakPolarHBondContact O-CB 3.42Å; L601-L605 PolarHBondContact O-N 3.08Å; D602-L605 PolarHBondContact O-N 3.24Å; L605-K608 PolarHBondContact O-N 3.46Å; L605-Q609 WeakPolarHBondContact O-CB 3.38Å; L605-Q609 WeakPolarHBondContact O-CG 3.45Å; L605-Q609 PolarHBondContact O-N 3.46Å
606	Q	75.1	Confident	72.6	Confident	114 Å²	114	95.6 Å²	95.6	53%	0.533	46%	0.461	S	S	.	.	H	α-helix	trans	-64.5	-43	178.5	-169	174.2	35.5	0	0	111.7	D602 H603 Q609 M610	D602-Q606 WeakPolarHBondContact O-CB 3.21Å; D602-Q606 PolarHBondContact O-N 3.46Å; H603-Q606 PolarHBondContact O-N 3.43Å; Q606-Q609 PolarHBondContact O-N 2.86Å; Q606-M610 WeakPolarHBondContact O-CB 3.37Å; Q606-M610 PolarHBondContact O-N 3.14Å
607	V	72.4	Confident	72.6	Confident	40 Å²	40	94.6 Å²	94.6	24%	0.242	46%	0.456	C	S	.	.	H	α-helix	trans	-61.2	-45.6	172.8	171.3	0	0	0	0	110.4	H603 E604 Q609 M610 E611	H603-V607 WeakPolarHBondContact O-CG2 3.26Å; H603-V607 PolarHBondContact O-N 3.2Å; E604-V607 PolarHBondContact O-N 3.28Å; V607-Q609 PolarHBondContact O-N 2.82Å; V607-M610 WeakPolarHBondContact O-CB 3.48Å; V607-M610 PolarHBondContact O-N 3.04Å; V607-E611 HydrophobicContact CG1-CG 4.36Å; V607-E611 WeakPolarHBondContact O-CG 3.43Å; V607-E611 PolarHBondContact O-N 3.39Å
608	K	70.5	Confident	72.1	Confident	98 Å²	98	90.7 Å²	90.7	43%	0.426	44%	0.437	S	S	.	.	H	α-helix	trans	-62.2	-42.2	177.7	-83.6	-74.4	167.8	-143.9	0	113.2	E604 L605 M610 E611 L612	E604-K608 WeakPolarHBondContact O-CB 3.45Å; E604-K608 WeakPolarHBondContact O-CG 3.23Å; E604-K608 PolarHBondContact O-N 2.65Å; L605-K608 PolarHBondContact O-N 3.46Å; K608-M610 VanDerWaalsContact C-N 3.3Å; K608-M610 PolarHBondContact O-N 3.32Å; K608-E611 IonicContact NZ-OE2 2.59Å; K608-E611 PolarHBondContact NZ-OE2 3.42Å; K608-E611 PolarHBondContact O-N 3.44Å; K608-L612 WeakPolarHBondContact O-CB 3.35Å; K608-L612 VanDerWaalsContact O-CG 3.32Å; K608-L612 WeakPolarHBondContact O-CG 3.42Å; K608-L612 PolarHBondContact O-N 3.12Å
609	Q	69	Low	71.7	Confident	119 Å²	119	86.1 Å²	86.1	56%	0.556	41%	0.412	S	S	*	.	H	α-helix	trans	-63.1	-39.2	174.9	-75.2	176.5	-3.4	0	0	111.6	L605 Q606 V607 K613	L605-Q609 WeakPolarHBondContact O-CB 3.38Å; L605-Q609 WeakPolarHBondContact O-CG 3.45Å; L605-Q609 PolarHBondContact O-N 3.46Å; Q606-Q609 PolarHBondContact O-N 2.86Å; V607-Q609 PolarHBondContact O-N 2.82Å; Q609-K613 WeakPolarHBondContact O-CB 3.46Å; Q609-K613 PolarHBondContact O-N 3.41Å
610	M	71.9	Confident	71.1	Confident	89 Å²	89	84.7 Å²	84.7	44%	0.438	40%	0.404	S	S	.	.	H	α-helix	trans	-66.4	-43.7	175.1	-171.3	-177.8	66.6	0	0	111.8	L588 Q606 V607 K608 K613 E614	L588-M610 HydrophobicContact CD1-CE 3.48Å; L588-M610 VanDerWaalsContact CD1-CE 3.48Å; L588-M610 HydrophobicContact CD1-SD 3.98Å; Q606-M610 WeakPolarHBondContact O-CB 3.37Å; Q606-M610 PolarHBondContact O-N 3.14Å; V607-M610 WeakPolarHBondContact O-CB 3.48Å; V607-M610 PolarHBondContact O-N 3.04Å; K608-M610 VanDerWaalsContact C-N 3.3Å; K608-M610 PolarHBondContact O-N 3.32Å; M610-K613 PolarHBondContact O-N 3.21Å; M610-E614 WeakPolarHBondContact O-CB 3.15Å; M610-E614 PolarHBondContact O-N 2.95Å
611	E	70.7	Confident	70.9	Confident	69 Å²	69	84.1 Å²	84.1	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-60.7	-44.1	175.3	-74	-177.7	157.6	0	0	111.9	V607 K608 E614 Q615	V607-E611 HydrophobicContact CG1-CG 4.36Å; V607-E611 WeakPolarHBondContact O-CG 3.43Å; V607-E611 PolarHBondContact O-N 3.39Å; K608-E611 IonicContact NZ-OE2 2.59Å; K608-E611 PolarHBondContact NZ-OE2 3.42Å; K608-E611 PolarHBondContact O-N 3.44Å; E611-E614 PolarHBondContact O-N 3.46Å; E611-Q615 WeakPolarHBondContact O-CB 3.1Å; E611-Q615 PolarHBondContact O-N 3.2Å
612	L	69.5	Low	70.9	Confident	50 Å²	50	80.8 Å²	80.8	26%	0.262	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-41.8	176.4	-73.4	172.6	0	0	0	111.7	K608 Q615 E616 T1080	K608-L612 WeakPolarHBondContact O-CB 3.35Å; K608-L612 VanDerWaalsContact O-CG 3.32Å; K608-L612 WeakPolarHBondContact O-CG 3.42Å; K608-L612 PolarHBondContact O-N 3.12Å; L612-Q615 PolarHBondContact O-N 3.4Å; L612-E616 PolarHBondContact O-N 3Å; L612-T1080 HydrophobicContact CD2-CG2 3.77Å
613	K	67.8	Low	71.3	Confident	135 Å²	135	76.2 Å²	76.2	59%	0.587	36%	0.362	S	S	*	.	H	α-helix	trans	-67	-36.6	175.8	-169.2	176.8	-177.5	-179.3	0	111.8	Q609 M610 N617	Q609-K613 WeakPolarHBondContact O-CB 3.46Å; Q609-K613 PolarHBondContact O-N 3.41Å; M610-K613 PolarHBondContact O-N 3.21Å; K613-N617 WeakPolarHBondContact O-CB 3.39Å; K613-N617 PolarHBondContact O-N 3.22Å; K613-N617 PolarHBondContact O-ND2 3.03Å; K613-N617 VanDerWaalsContact O-ND2 3.14Å
614	E	68.6	Low	72.1	Confident	59 Å²	59	74.9 Å²	74.9	28%	0.276	36%	0.356	S	S	.	.	H	α-helix	trans	-65.2	-39.6	172.8	-169.9	-178.3	172.9	0	0	111	M610 E611 N617 H618 K672	M610-E614 WeakPolarHBondContact O-CB 3.15Å; M610-E614 PolarHBondContact O-N 2.95Å; E611-E614 PolarHBondContact O-N 3.46Å; E614-N617 CarbonylContact O-C 3.55Å; E614-N617 PolarHBondContact O-N 3.22Å; E614-H618 PolarHBondContact O-N 3.47Å; E614-K672 IonicContact OE1-NZ 2.69Å; E614-K672 IonicContact OE2-NZ 2.69Å; E614-K672 PolarHBondContact OE2-NZ 2.95Å
615	Q	66.1	Low	72.8	Confident	94 Å²	94	69.7 Å²	69.7	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-67.4	-44.1	176.5	-171.6	174.9	-0.3	0	0	112.2	E611 L612 N617 H618	E611-Q615 WeakPolarHBondContact O-CB 3.1Å; E611-Q615 PolarHBondContact O-N 3.2Å; L612-Q615 PolarHBondContact O-N 3.4Å; Q615-N617 VanDerWaalsContact C-N 3.33Å; Q615-H618 VanDerWaalsContact O-CB 3.27Å; Q615-H618 WeakPolarHBondContact O-CB 3.11Å; Q615-H618 PolarHBondContact O-N 3.41Å
616	E	65.4	Low	73.7	Confident	137 Å²	137	65.8 Å²	65.8	64%	0.64	31%	0.312	S	S	*	.	H	α-helix	trans	-63.5	-40	174	-174.6	179.4	-164.3	0	0	111.5	L612 H618	L612-E616 PolarHBondContact O-N 3Å; E616-H618 VanDerWaalsContact C-N 3.27Å; E616-H618 PolarHBondContact O-N 2.83Å
617	N	68	Low	74.8	Confident	65 Å²	65	60.4 Å²	60.4	35%	0.348	29%	0.286	S	S	.	.	H	α-helix	trans	-75.4	-12.8	176.6	-71.5	-25.1	0	0	0	113.3	K613 E614 Q615 E619 W620 M621	K613-N617 WeakPolarHBondContact O-CB 3.39Å; K613-N617 PolarHBondContact O-N 3.22Å; K613-N617 PolarHBondContact O-ND2 3.03Å; K613-N617 VanDerWaalsContact O-ND2 3.14Å; E614-N617 CarbonylContact O-C 3.55Å; E614-N617 PolarHBondContact O-N 3.22Å; Q615-N617 VanDerWaalsContact C-N 3.33Å; N617-E619 VanDerWaalsContact C-N 3.32Å; N617-E619 PolarHBondContact O-N 3.09Å; N617-W620 CarbonylContact O-C 3.54Å; N617-W620 WeakPolarHBondContact O-CA 3.4Å; N617-W620 WeakPolarHBondContact O-CB 3.5Å; N617-W620 PolarHBondContact O-N 2.79Å; N617-M621 HydrophobicContact CB-CG 4.26Å; N617-M621 WeakPolarHBondContact O-CG 3.38Å; N617-M621 PolarHBondContact O-N 3.1Å
618	H	70.3	Confident	76	Confident	66 Å²	66	58.5 Å²	58.5	31%	0.306	28%	0.275	S	S	.	.	H	α-helix	trans	-58.2	-43	-173	-172.1	91.4	0	0	0	112.5	R561 E614 Q615 E616 W620 M621	R561-H618 PolarHBondContact NH2-CE1 2.98Å; R561-H618 PolarHBondContact NH2-ND1 2.84Å; R561-H618 VanDerWaalsContact NH2-ND1 3.11Å; E614-H618 PolarHBondContact O-N 3.47Å; Q615-H618 VanDerWaalsContact O-CB 3.27Å; Q615-H618 WeakPolarHBondContact O-CB 3.11Å; Q615-H618 PolarHBondContact O-N 3.41Å; E616-H618 VanDerWaalsContact C-N 3.27Å; E616-H618 PolarHBondContact O-N 2.83Å; H618-W620 VanDerWaalsContact C-N 3.25Å; H618-W620 PolarHBondContact O-N 2.87Å; H618-M621 PolarHBondContact O-N 3.4Å
619	E	69.1	Low	77.2	Confident	42 Å²	42	53.9 Å²	53.9	20%	0.196	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-61.3	-33.9	175.6	-68	-173.7	-156.2	0	0	112	N617 S1020 C1021 M1130	N617-E619 VanDerWaalsContact C-N 3.32Å; N617-E619 PolarHBondContact O-N 3.09Å; E619-S1020 WeakPolarHBondContact OE2-CA 3.28Å; E619-S1020 WeakPolarHBondContact OE2-CB 3.36Å; E619-S1020 PolarHBondContact OE2-OG 2.98Å; E619-C1021 PolarHBondContact OE2-N 3.33Å; E619-M1130 HydrophobicContact CB-CE 4.19Å
620	W	64.8	Low	78.5	Confident	46 Å²	46	48.3 Å²	48.3	17%	0.174	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-82	-15.1	-178.5	-64.8	103.9	0	0	0	114.5	N617 H618 P1108 S1128 T1129 M1130 N1172	N617-W620 CarbonylContact O-C 3.54Å; N617-W620 WeakPolarHBondContact O-CA 3.4Å; N617-W620 WeakPolarHBondContact O-CB 3.5Å; N617-W620 PolarHBondContact O-N 2.79Å; H618-W620 VanDerWaalsContact C-N 3.25Å; H618-W620 PolarHBondContact O-N 2.87Å; W620-P1108 HydrophobicContact CE3-CB 4.11Å; W620-P1108 HydrophobicContact CZ3-CB 4.41Å; W620-S1128 WeakPolarHBondContact CH2-O 3.29Å; W620-S1128 VanDerWaalsContact CH2-OG 3.24Å; W620-S1128 WeakPolarHBondContact CH2-OG 3.47Å; W620-S1128 WeakPolarHBondContact CZ2-OG 3.48Å; W620-S1128 VanDerWaalsContact CZ3-CB 3.48Å; W620-T1129 WeakPolarHBondContact CZ3-O 2.99Å; W620-M1130 HydrophobicContact CD2-SD 4.15Å; W620-M1130 HydrophobicContact CE3-SD 3.72Å; W620-M1130 HydrophobicContact CH2-CG 3.45Å; W620-M1130 VanDerWaalsContact CH2-CG 3.45Å; W620-M1130 HydrophobicContact CH2-SD 3.66Å; W620-M1130 HydrophobicContact CZ2-CG 3.94Å; W620-M1130 HydrophobicContact CZ2-SD 4.11Å; W620-M1130 HydrophobicContact CZ3-CG 3.85Å; W620-M1130 HydrophobicContact CZ3-SD 3.46Å; W620-M1130 WeakPolarHBondContact CZ3-SD 3.45Å; W620-N1172 WeakPolarHBondContact CZ2-ND2 2.91Å
621	M	70.3	Confident	79.5	Confident	101 Å²	101	44.4 Å²	44.4	50%	0.498	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-97.1	-1.9	-174.1	-67.4	-64.3	-74.3	0	0	113.1	N617 H618	N617-M621 HydrophobicContact CB-CG 4.26Å; N617-M621 WeakPolarHBondContact O-CG 3.38Å; N617-M621 PolarHBondContact O-N 3.1Å; H618-M621 PolarHBondContact O-N 3.4Å
622	Q	78.5	Confident	80.4	Confident	37 Å²	37	41.2 Å²	41.2	17%	0.173	20%	0.196	C	C	.	.	S	Bend	trans	-70.3	152.8	171.8	-65.6	-177.2	-4	0	0	111	S1106 P1108	Q622-S1106 PolarHBondContact OE1-O 3.48Å; Q622-P1108 WeakPolarHBondContact O-CG 3.41Å
623	S	85.3	Confident	81.1	Confident	9 Å²	9	45 Å²	45	6%	0.063	21%	0.212	C	C	.	.			trans	-78.3	169.6	172	77.9	0	0	0	0	111.1	V558 L625	V558-S623 VanDerWaalsContact O-CB 3.31Å; V558-S623 WeakPolarHBondContact O-CB 3.29Å; V558-S623 PolarHBondContact O-N 3.42Å; V558-S623 PolarHBondContact O-OG 3.32Å; S623-L625 PolarHBondContact O-N 3.47Å; S623-L625 PolarHBondContact OG-N 3.33Å
624	N	87.3	Confident	81.7	Confident	10 Å²	10	40.7 Å²	40.7	5%	0.053	21%	0.206	C	C	.	.	S	Bend	trans	-80.3	2.1	174.4	-57.7	-24.6	0	0	0	113.3	H642 A643 N644 P1108 S1110	N624-H642 WeakPolarHBondContact CB-NE2 3.41Å; N624-H642 PolarHBondContact ND2-CE1 2.99Å; N624-H642 PolarHBondContact ND2-NE2 3.12Å; N624-A643 WeakPolarHBondContact O-CB 3.31Å; N624-A643 PolarHBondContact O-N 3.27Å; N624-N644 PolarHBondContact ND2-ND2 2.86Å; N624-P1108 PolarHBondContact OD1-O 3.45Å; N624-S1110 PolarHBondContact ND2-O 2.99Å; N624-S1110 PolarHBondContact OD1-O 3.43Å
625	L	91.9	Very high	82.6	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.4	-179	-62.3	176.7	0	0	0	109.6	V558 L560 S623 I641 I650 H794 L795 W837	V558-L625 HydrophobicContact CB-CB 4.04Å; V558-L625 HydrophobicContact CG2-CB 3.97Å; V558-L625 WeakPolarHBondContact CG2-O 3.49Å; V558-L625 PolarHBondContact N-O 3.41Å; L560-L625 HydrophobicContact CD1-CD1 4.34Å; S623-L625 PolarHBondContact O-N 3.47Å; S623-L625 PolarHBondContact OG-N 3.33Å; L625-I641 WeakPolarHBondContact CA-O 3.31Å; L625-I650 HydrophobicContact CD2-CD1 3.59Å; L625-H794 HydrophobicContact CD2-CB 4.14Å; L625-L795 HydrophobicContact CD1-CD2 4Å; L625-W837 HydrophobicContact CD1-CH2 4.36Å; L625-W837 HydrophobicContact CD1-CZ2 4.03Å; L625-W837 HydrophobicContact CD2-CH2 4.48Å
626	V	95.1	Very high	83.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.9	176.1	-179.1	0	0	0	0	108.6	A555 A556 I628 I641 A643 V1105 V1107 I1133	A555-V626 HydrophobicContact CB-CG1 4.27Å; A556-V626 WeakPolarHBondContact O-CA 3.19Å; V626-I628 HydrophobicContact CG1-CG1 4.09Å; V626-I641 HydrophobicContact CB-CD1 4.38Å; V626-I641 HydrophobicContact CB-CG1 3.86Å; V626-I641 PolarHBondContact N-O 2.72Å; V626-I641 PolarHBondContact O-N 2.89Å; V626-A643 HydrophobicContact CG2-CB 4.35Å; V626-V1105 HydrophobicContact CG1-CG1 4.35Å; V626-V1105 HydrophobicContact CG2-CG1 4.38Å; V626-V1107 HydrophobicContact CG2-CG1 3.89Å; V626-I1133 HydrophobicContact CG2-CD1 4.01Å
627	W	97.2	Very high	85.3	Confident	1 Å²	1	33.5 Å²	33.5	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.7	175.5	-74.6	40.9	0	0	0	108.6	A555 A556 V558 V638 V640 F653 I663 V819 M821 H831 W837	A555-W627 CarbonylContact C-O 3.48Å; A555-W627 WeakPolarHBondContact CA-O 3.2Å; A555-W627 VanDerWaalsContact CB-O 3.28Å; A555-W627 WeakPolarHBondContact CB-O 3.27Å; A556-W627 PolarHBondContact N-O 3.44Å; A556-W627 PolarHBondContact O-N 3.26Å; V558-W627 HydrophobicContact CG2-CG 4.08Å; W627-V638 HydrophobicContact CD2-CG1 4.35Å; W627-V638 HydrophobicContact CE3-CG1 3.68Å; W627-V638 HydrophobicContact CZ3-CG1 4.25Å; W627-V640 HydrophobicContact CD2-CG2 3.86Å; W627-V640 HydrophobicContact CG-CG2 3.98Å; W627-V640 HydrophobicContact CZ2-CG2 4.25Å; W627-F653 HydrophobicContact CE3-CZ 4.45Å; W627-F653 HydrophobicContact CH2-CZ 4.23Å; W627-F653 HydrophobicContact CZ3-CE1 4.49Å; W627-F653 AromaticContact CZ3-CZ 3.81Å; W627-F653 HydrophobicContact CZ3-CZ 3.81Å; W627-I663 HydrophobicContact CB-CD1 3.62Å; W627-V819 HydrophobicContact CD2-CB 4.37Å; W627-V819 HydrophobicContact CD2-CG1 4.15Å; W627-V819 HydrophobicContact CD2-CG2 3.95Å; W627-V819 HydrophobicContact CE3-CB 3.97Å; W627-V819 HydrophobicContact CE3-CG1 3.68Å; W627-V819 HydrophobicContact CE3-CG2 4.05Å; W627-V819 HydrophobicContact CH2-CB 4.31Å; W627-V819 HydrophobicContact CH2-CG2 4.18Å; W627-V819 HydrophobicContact CZ2-CG2 4.08Å; W627-V819 HydrophobicContact CZ3-CB 3.93Å; W627-V819 HydrophobicContact CZ3-CG1 4.07Å; W627-V819 HydrophobicContact CZ3-CG2 4.16Å; W627-M821 HydrophobicContact CZ3-CE 4.34Å; W627-H831 HydrophobicContact CH2-CB 3.94Å; W627-H831 HydrophobicContact CZ3-CB 3.94Å; W627-W837 HydrophobicContact CH2-CB 3.86Å; W627-W837 HydrophobicContact CH2-CG 4.1Å; W627-W837 HydrophobicContact CZ2-CB 3.92Å; W627-W837 AromaticContact CZ2-CD1 3.74Å; W627-W837 HydrophobicContact CZ2-CD2 4.12Å; W627-W837 AromaticContact CZ2-CG 3.67Å; W627-W837 HydrophobicContact CZ2-CG 3.67Å
628	I	97.5	Very high	86.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.3	-176.1	-57.4	169.4	0	0	0	108.5	L543 I552 A555 V626 V638 S639 I641 F1103 L1165	L543-I628 HydrophobicContact CD1-CD1 3.89Å; L543-I628 HydrophobicContact CD2-CB 4.38Å; L543-I628 HydrophobicContact CD2-CD1 4.36Å; L543-I628 HydrophobicContact CD2-CG2 3.83Å; I552-I628 HydrophobicContact CG1-CG2 4.44Å; I552-I628 HydrophobicContact CG2-CG2 4.38Å; A555-I628 HydrophobicContact CB-CB 4.39Å; A555-I628 HydrophobicContact CB-CG1 3.91Å; V626-I628 HydrophobicContact CG1-CG1 4.09Å; I628-V638 CarbonylContact O-C 3.59Å; I628-V638 WeakPolarHBondContact O-CA 3.47Å; I628-S639 PolarHBondContact N-O 3.24Å; I628-S639 PolarHBondContact O-N 3.37Å; I628-I641 HydrophobicContact CD1-CD1 3.74Å; I628-I641 HydrophobicContact CD1-CG1 4.09Å; I628-I641 HydrophobicContact CD1-CG2 4.38Å; I628-F1103 HydrophobicContact CD1-CZ 4.33Å; I628-F1103 HydrophobicContact CG1-CZ 4.24Å; I628-F1103 HydrophobicContact CG2-CE1 4Å; I628-F1103 HydrophobicContact CG2-CZ 4.43Å; I628-L1165 HydrophobicContact CD1-CD1 3.77Å; I628-L1165 HydrophobicContact CD1-CD2 4.02Å; I628-L1165 HydrophobicContact CD1-CG 4.49Å
629	C	97.2	Very high	87.8	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.6	175.4	-59.9	0	0	0	0	110.2	W553 C554 L637 V660	W553-C629 PolarHBondContact N-O 3.04Å; C554-C629 PolarHBondContact N-O 3.33Å; C554-C629 PolarHBondContact O-N 3.12Å; C629-L637 WeakPolarHBondContact CA-O 3.42Å; C629-V660 HydrophobicContact CB-CB 3.96Å; C629-V660 HydrophobicContact CB-CG1 3.95Å
630	S	95.5	Very high	89	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	168.8	-177.2	-60.9	0	0	0	0	110.6	L550 K551 S636 L637	L550-S630 VanDerWaalsContact CD1-CB 3.46Å; K551-S630 CarbonylContact O-C 3.57Å; K551-S630 WeakPolarHBondContact O-CA 3.33Å; K551-S630 WeakPolarHBondContact O-CB 3.29Å; S630-S636 CarbonylContact O-C 3.59Å; S630-S636 WeakPolarHBondContact O-CA 3.43Å; S630-L637 PolarHBondContact N-O 2.93Å; S630-L637 PolarHBondContact O-N 2.88Å
631	S	93	Very high	90.4	Very high	8 Å²	8	23 Å²	23	6%	0.056	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.1	170.7	-176.7	0	0	0	0	111.1	L550 K551 W553 R635 H659	L550-S631 CarbonylContact C-O 3.57Å; L550-S631 WeakPolarHBondContact CA-O 3.19Å; K551-S631 PolarHBondContact N-O 3.33Å; K551-S631 PolarHBondContact O-N 3.24Å; W553-S631 VanDerWaalsContact NE1-CB 3.32Å; S631-R635 CarbonylContact C-O 3.55Å; S631-R635 WeakPolarHBondContact CA-O 3.32Å; S631-R635 PolarHBondContact OG-O 3.49Å; S631-R635 VanDerWaalsContact OG-O 3.09Å; S631-H659 PolarHBondContact OG-CE1 2.9Å; S631-H659 PolarHBondContact OG-ND1 2.83Å
632	A	89.1	Confident	91.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.8	170.5	0	0	0	0	0	109.5	L550 G634 R635 L637	L550-A632 HydrophobicContact CD1-CB 3.98Å; A632-G634 VanDerWaalsContact C-N 3.26Å; A632-G634 PolarHBondContact O-N 2.87Å; A632-R635 PolarHBondContact N-O 3.33Å; A632-R635 WeakPolarHBondContact O-CB 3.27Å; A632-R635 PolarHBondContact O-N 2.89Å; A632-L637 HydrophobicContact CB-CD1 3.66Å
633	H	84.6	Confident	91.8	Very high	129 Å²	129	17.8 Å²	17.8	60%	0.597	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	39.8	178.7	-56	-72.9	0	0	0	114.4	E547 T549 R635	E547-H633 IonicContact OE2-CD2 3.66Å; E547-H633 PolarHBondContact OE2-CD2 3.07Å; E547-H633 IonicContact OE2-NE2 3.5Å; E547-H633 PolarHBondContact OE2-NE2 2.78Å; T549-H633 PolarHBondContact OG1-NE2 3.34Å; H633-R635 PolarHBondContact O-N 2.95Å
634	G	81.6	Confident	91.8	Very high	45 Å²	45	20.2 Å²	20.2	46%	0.464	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	9.1	-178.5	0	0	0	0	0	115.1	A632 S657	A632-G634 VanDerWaalsContact C-N 3.26Å; A632-G634 PolarHBondContact O-N 2.87Å; G634-S657 WeakPolarHBondContact O-CA 3.39Å
635	R	87.8	Confident	91.8	Very high	123 Å²	123	25.4 Å²	25.4	46%	0.464	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.5	174.9	-59.7	179.2	-67.6	176.4	0.2	109.9	S631 A632 H633	S631-R635 CarbonylContact C-O 3.55Å; S631-R635 WeakPolarHBondContact CA-O 3.32Å; S631-R635 PolarHBondContact OG-O 3.49Å; S631-R635 VanDerWaalsContact OG-O 3.09Å; A632-R635 PolarHBondContact N-O 3.33Å; A632-R635 WeakPolarHBondContact O-CB 3.27Å; A632-R635 PolarHBondContact O-N 2.89Å; H633-R635 PolarHBondContact O-N 2.95Å
636	S	93.3	Very high	91.4	Very high	1 Å²	1	26 Å²	26	1%	0.007	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.8	169	-76.4	0	0	0	0	110.7	S630 T654 L655 S656 S658 H659	S630-S636 CarbonylContact O-C 3.59Å; S630-S636 WeakPolarHBondContact O-CA 3.43Å; S636-T654 WeakPolarHBondContact O-CA 3.41Å; S636-L655 PolarHBondContact O-N 3.41Å; S636-S656 WeakPolarHBondContact CB-O 3.29Å; S636-S656 PolarHBondContact N-O 2.82Å; S636-S658 WeakPolarHBondContact CB-O 3.47Å; S636-S658 PolarHBondContact OG-O 3.01Å; S636-H659 WeakPolarHBondContact OG-CA 3.39Å
637	L	93.8	Very high	91	Very high	15 Å²	15	28.6 Å²	28.6	8%	0.079	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.8	179.3	-68	167.8	0	0	0	109.4	L550 C629 S630 A632 T652 F653 T654	L550-L637 HydrophobicContact CD1-CD1 3.71Å; C629-L637 WeakPolarHBondContact CA-O 3.42Å; S630-L637 PolarHBondContact N-O 2.93Å; S630-L637 PolarHBondContact O-N 2.88Å; A632-L637 HydrophobicContact CB-CD1 3.66Å; L637-T652 HydrophobicContact CD2-CG2 4.24Å; L637-F653 CarbonylContact C-O 3.6Å; L637-F653 WeakPolarHBondContact CA-O 3.44Å; L637-T654 HydrophobicContact CD2-CG2 3.4Å; L637-T654 VanDerWaalsContact CD2-CG2 3.4Å
638	V	95.6	Very high	90.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.5	169.8	-178.5	0	0	0	0	107.4	W627 I628 T652 F653 L655 M821	W627-V638 HydrophobicContact CD2-CG1 4.35Å; W627-V638 HydrophobicContact CE3-CG1 3.68Å; W627-V638 HydrophobicContact CZ3-CG1 4.25Å; I628-V638 CarbonylContact O-C 3.59Å; I628-V638 WeakPolarHBondContact O-CA 3.47Å; V638-T652 CarbonylContact O-C 3.59Å; V638-T652 VanDerWaalsContact O-CA 3.25Å; V638-T652 WeakPolarHBondContact O-CA 3.48Å; V638-F653 HydrophobicContact CB-CD1 4.39Å; V638-F653 HydrophobicContact CB-CD2 4.15Å; V638-F653 HydrophobicContact CB-CE1 3.97Å; V638-F653 HydrophobicContact CB-CE2 3.7Å; V638-F653 HydrophobicContact CB-CG 4.47Å; V638-F653 HydrophobicContact CB-CZ 3.6Å; V638-F653 HydrophobicContact CG1-CE1 3.87Å; V638-F653 HydrophobicContact CG1-CE2 4.17Å; V638-F653 HydrophobicContact CG1-CZ 3.57Å; V638-F653 HydrophobicContact CG2-CD2 4.48Å; V638-F653 HydrophobicContact CG2-CE2 3.9Å; V638-F653 HydrophobicContact CG2-CZ 4.16Å; V638-F653 PolarHBondContact N-O 2.81Å; V638-F653 PolarHBondContact O-N 2.81Å; V638-L655 HydrophobicContact CG2-CD1 3.36Å; V638-L655 HydrophobicContact CG2-CD2 4.45Å; V638-L655 HydrophobicContact CG2-CG 3.7Å; V638-M821 HydrophobicContact CG2-CE 4.42Å; V638-M821 HydrophobicContact CG2-SD 3.72Å
639	S	94.8	Very high	90	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.3	176.2	-55.9	0	0	0	0	109	I628 D651 T652	I628-S639 PolarHBondContact N-O 3.24Å; I628-S639 PolarHBondContact O-N 3.37Å; S639-D651 CarbonylContact C-O 3.46Å; S639-D651 WeakPolarHBondContact CA-O 3.36Å; S639-T652 PolarHBondContact OG-OG1 2.78Å
640	V	94.5	Very high	89.6	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.4	178.8	-172.8	0	0	0	0	108.6	W627 I650 D651 F653 W837	W627-V640 HydrophobicContact CD2-CG2 3.86Å; W627-V640 HydrophobicContact CG-CG2 3.98Å; W627-V640 HydrophobicContact CZ2-CG2 4.25Å; V640-I650 HydrophobicContact CG1-CD1 4.36Å; V640-I650 WeakPolarHBondContact O-CB 3.49Å; V640-I650 PolarHBondContact O-N 2.81Å; V640-D651 PolarHBondContact N-O 2.97Å; V640-D651 PolarHBondContact O-N 2.85Å; V640-F653 HydrophobicContact CG2-CE1 4.39Å; V640-W837 HydrophobicContact CB-CE3 4Å; V640-W837 HydrophobicContact CB-CZ3 3.79Å; V640-W837 HydrophobicContact CG1-CE3 4.01Å; V640-W837 HydrophobicContact CG1-CH2 3.89Å; V640-W837 HydrophobicContact CG1-CZ3 3.52Å; V640-W837 HydrophobicContact CG2-CE3 3.83Å; V640-W837 HydrophobicContact CG2-CZ3 4.16Å
641	I	93.5	Very high	89.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.2	180	68	167.1	0	0	0	111	L543 L625 V626 I628 P646 V649 I1133 L1165	L543-I641 HydrophobicContact CD1-CG2 4.1Å; L625-I641 WeakPolarHBondContact CA-O 3.31Å; V626-I641 HydrophobicContact CB-CD1 4.38Å; V626-I641 HydrophobicContact CB-CG1 3.86Å; V626-I641 PolarHBondContact N-O 2.72Å; V626-I641 PolarHBondContact O-N 2.89Å; I628-I641 HydrophobicContact CD1-CD1 3.74Å; I628-I641 HydrophobicContact CD1-CG1 4.09Å; I628-I641 HydrophobicContact CD1-CG2 4.38Å; I641-P646 HydrophobicContact CD1-CB 4.49Å; I641-V649 HydrophobicContact CG2-CG2 4.16Å; I641-I1133 HydrophobicContact CD1-CD1 4.14Å; I641-L1165 HydrophobicContact CD1-CD1 3.66Å
642	H	90.2	Very high	89.4	Confident	25 Å²	25	36.2 Å²	36.2	12%	0.116	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.2	164.6	-167.9	-78.8	0	0	0	109.1	N624 N644 K645 I650	N624-H642 WeakPolarHBondContact CB-NE2 3.41Å; N624-H642 PolarHBondContact ND2-CE1 2.99Å; N624-H642 PolarHBondContact ND2-NE2 3.12Å; H642-N644 VanDerWaalsContact C-N 3.28Å; H642-N644 PolarHBondContact ND1-N 3.31Å; H642-N644 PolarHBondContact O-N 2.96Å; H642-K645 HydrophobicContact CB-CB 4.47Å; H642-K645 CarbonylContact O-C 3.31Å; H642-K645 WeakPolarHBondContact O-CA 3.39Å; H642-K645 PolarHBondContact O-N 3.14Å; H642-I650 HydrophobicContact CB-CD1 4.09Å
643	A	89.2	Confident	89.5	Confident	2 Å²	2	36.6 Å²	36.6	2%	0.017	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.5	-173.3	0	0	0	0	0	115	N624 V626 K645 P646 V1107 V1131 I1133	N624-A643 WeakPolarHBondContact O-CB 3.31Å; N624-A643 PolarHBondContact O-N 3.27Å; V626-A643 HydrophobicContact CG2-CB 4.35Å; A643-K645 VanDerWaalsContact C-N 3.29Å; A643-P646 WeakPolarHBondContact O-CD 3.4Å; A643-V1107 HydrophobicContact CB-CG2 3.21Å; A643-V1131 HydrophobicContact CB-CG1 4.4Å; A643-I1133 HydrophobicContact CB-CD1 3.98Å
644	N	86	Confident	89.8	Confident	61 Å²	61	34.3 Å²	34.3	33%	0.326	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.6	173.4	-56.6	-19.9	0	0	0	113.2	N624 H642 P646	N624-N644 PolarHBondContact ND2-ND2 2.86Å; H642-N644 VanDerWaalsContact C-N 3.28Å; H642-N644 PolarHBondContact ND1-N 3.31Å; H642-N644 PolarHBondContact O-N 2.96Å; N644-P646 VanDerWaalsContact C-CD 3.49Å
645	K	85.8	Confident	90.1	Very high	119 Å²	119	33.9 Å²	33.9	52%	0.517	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	61	176.7	-64.2	-176.5	-179.2	179.5	0	109.6	H642 A643 G647 E648	H642-K645 HydrophobicContact CB-CB 4.47Å; H642-K645 CarbonylContact O-C 3.31Å; H642-K645 WeakPolarHBondContact O-CA 3.39Å; H642-K645 PolarHBondContact O-N 3.14Å; A643-K645 VanDerWaalsContact C-N 3.29Å; K645-G647 PolarHBondContact O-N 2.59Å; K645-G647 VanDerWaalsContact O-N 3.08Å; K645-E648 HydrophobicContact CB-CB 4.4Å; K645-E648 PolarHBondContact O-N 2.83Å
646	P	84.5	Confident	89.7	Confident	14 Å²	14	29.4 Å²	29.4	9%	0.091	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	-16.2	-170.2	27.4	-35.3	0	0	0	113.9	F539 I641 A643 N644 V1167	F539-P646 HydrophobicContact CB-CB 4.45Å; F539-P646 HydrophobicContact CB-CG 3.52Å; F539-P646 HydrophobicContact CD1-CB 3.87Å; F539-P646 HydrophobicContact CD1-CG 3.79Å; F539-P646 HydrophobicContact CD2-CB 4.41Å; F539-P646 HydrophobicContact CD2-CG 3.68Å; F539-P646 HydrophobicContact CE1-CB 4.07Å; F539-P646 HydrophobicContact CE1-CG 4.33Å; F539-P646 HydrophobicContact CE2-CG 4.23Å; F539-P646 HydrophobicContact CG-CB 4.03Å; F539-P646 HydrophobicContact CG-CG 3.41Å; F539-P646 VanDerWaalsContact CG-CG 3.41Å; F539-P646 HydrophobicContact CZ-CB 4.41Å; I641-P646 HydrophobicContact CD1-CB 4.49Å; A643-P646 WeakPolarHBondContact O-CD 3.4Å; N644-P646 VanDerWaalsContact C-CD 3.49Å; P646-V1167 HydrophobicContact CB-CG2 3.91Å; P646-V1167 HydrophobicContact CG-CG2 4.02Å
647	G	85.4	Confident	89.2	Confident	54 Å²	54	34.2 Å²	34.2	56%	0.557	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	-9	173.4	0	0	0	0	0	115	F539 K645	F539-G647 VanDerWaalsContact CE2-CA 3.45Å; F539-G647 VanDerWaalsContact CZ-CA 3.47Å; K645-G647 PolarHBondContact O-N 2.59Å; K645-G647 VanDerWaalsContact O-N 3.08Å
648	E	85.3	Confident	89	Confident	76 Å²	76	34.6 Å²	34.6	36%	0.355	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	99.4	175.6	-171.9	-179.5	-176.3	0	0	109	K645 I650	K645-E648 HydrophobicContact CB-CB 4.4Å; K645-E648 PolarHBondContact O-N 2.83Å; E648-I650 PolarHBondContact O-N 3.46Å
649	V	89.1	Confident	88.8	Confident	39 Å²	39	37 Å²	37	24%	0.236	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	113.8	170.3	-175.6	0	0	0	0	108.3	L543 I641 T652	L543-V649 HydrophobicContact CD1-CG2 4.28Å; L543-V649 WeakPolarHBondContact O-CG2 3.43Å; I641-V649 HydrophobicContact CG2-CG2 4.16Å; V649-T652 WeakPolarHBondContact CG1-OG1 3.32Å
650	I	90.2	Very high	88.9	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	-46.2	-176.9	-56	168	0	0	0	109.6	L625 V640 H642 E648 L791 H794 W837	L625-I650 HydrophobicContact CD2-CD1 3.59Å; V640-I650 HydrophobicContact CG1-CD1 4.36Å; V640-I650 WeakPolarHBondContact O-CB 3.49Å; V640-I650 PolarHBondContact O-N 2.81Å; H642-I650 HydrophobicContact CB-CD1 4.09Å; E648-I650 PolarHBondContact O-N 3.46Å; I650-L791 HydrophobicContact CG2-CD2 4.35Å; I650-H794 HydrophobicContact CD1-CB 3.75Å; I650-W837 HydrophobicContact CB-CZ3 4.25Å; I650-W837 HydrophobicContact CD1-CH2 4.43Å; I650-W837 HydrophobicContact CG2-CH2 4.08Å; I650-W837 HydrophobicContact CG2-CZ3 3.71Å
651	D	90.5	Very high	88.9	Confident	11 Å²	11	38.8 Å²	38.8	6%	0.059	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	146.3	-177.1	-154.8	23.2	0	0	0	111.9	S639 V640 Y787 W837 R838	S639-D651 CarbonylContact C-O 3.46Å; S639-D651 WeakPolarHBondContact CA-O 3.36Å; V640-D651 PolarHBondContact N-O 2.97Å; V640-D651 PolarHBondContact O-N 2.85Å; D651-Y787 WeakPolarHBondContact OD2-CE2 3.37Å; D651-Y787 PolarHBondContact OD2-OH 2.97Å; D651-W837 HydrophobicContact CB-CE3 4.01Å; D651-W837 HydrophobicContact CB-CZ3 4.21Å; D651-R838 IonicContact OD1-CZ 3.97Å; D651-R838 IonicContact OD1-NE 2.92Å; D651-R838 PolarHBondContact OD1-NE 3.36Å; D651-R838 VanDerWaalsContact OD1-NE 3.12Å; D651-R838 IonicContact OD1-NH2 3.76Å; D651-R838 PolarHBondContact OD1-NH2 2.93Å; D651-R838 IonicContact OD2-CZ 3.6Å; D651-R838 IonicContact OD2-NE 2.97Å; D651-R838 PolarHBondContact OD2-NE 2.79Å; D651-R838 VanDerWaalsContact OD2-NE 3.12Å; D651-R838 IonicContact OD2-NH2 3.52Å
652	T	91.9	Very high	89.1	Confident	43 Å²	43	39.4 Å²	39.4	26%	0.264	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	129.6	172.2	-64.9	0	0	0	0	110.4	I544 L637 V638 S639 V649 R838	I544-T652 HydrophobicContact CD1-CG2 4.11Å; L637-T652 HydrophobicContact CD2-CG2 4.24Å; V638-T652 CarbonylContact O-C 3.59Å; V638-T652 VanDerWaalsContact O-CA 3.25Å; V638-T652 WeakPolarHBondContact O-CA 3.48Å; S639-T652 PolarHBondContact OG-OG1 2.78Å; V649-T652 WeakPolarHBondContact CG1-OG1 3.32Å; T652-R838 VanDerWaalsContact O-CZ 3.27Å; T652-R838 PolarHBondContact O-NH1 3Å; T652-R838 VanDerWaalsContact O-NH1 3.09Å; T652-R838 PolarHBondContact O-NH2 3.28Å
653	F	92.7	Very high	89.5	Confident	9 Å²	9	39.1 Å²	39.1	4%	0.039	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	155.5	179.4	60.2	-90.5	0	0	0	113.2	W627 L637 V638 V640 L655 H831 W837 R838	W627-F653 HydrophobicContact CE3-CZ 4.45Å; W627-F653 HydrophobicContact CH2-CZ 4.23Å; W627-F653 HydrophobicContact CZ3-CE1 4.49Å; W627-F653 AromaticContact CZ3-CZ 3.81Å; W627-F653 HydrophobicContact CZ3-CZ 3.81Å; L637-F653 CarbonylContact C-O 3.6Å; L637-F653 WeakPolarHBondContact CA-O 3.44Å; V638-F653 HydrophobicContact CB-CD1 4.39Å; V638-F653 HydrophobicContact CB-CD2 4.15Å; V638-F653 HydrophobicContact CB-CE1 3.97Å; V638-F653 HydrophobicContact CB-CE2 3.7Å; V638-F653 HydrophobicContact CB-CG 4.47Å; V638-F653 HydrophobicContact CB-CZ 3.6Å; V638-F653 HydrophobicContact CG1-CE1 3.87Å; V638-F653 HydrophobicContact CG1-CE2 4.17Å; V638-F653 HydrophobicContact CG1-CZ 3.57Å; V638-F653 HydrophobicContact CG2-CD2 4.48Å; V638-F653 HydrophobicContact CG2-CE2 3.9Å; V638-F653 HydrophobicContact CG2-CZ 4.16Å; V638-F653 PolarHBondContact N-O 2.81Å; V638-F653 PolarHBondContact O-N 2.81Å; V640-F653 HydrophobicContact CG2-CE1 4.39Å; F653-L655 HydrophobicContact CD2-CD2 4.47Å; F653-L655 HydrophobicContact CE2-CD2 4.05Å; F653-L655 HydrophobicContact CE2-CG 4.46Å; F653-H831 AromaticContact CE2-CE1 3.81Å; F653-H831 AromaticContact CE2-ND1 3.97Å; F653-W837 HydrophobicContact CE1-CB 4.12Å; F653-W837 VanDerWaalsContact CZ-O 3.29Å; F653-W837 WeakPolarHBondContact CZ-O 3.39Å; F653-R838 HydrophobicContact CB-CB 4.46Å; F653-R838 HydrophobicContact CB-CG 3.82Å; F653-R838 HydrophobicContact CD1-CG 3.94Å; F653-R838 HydrophobicContact CG-CB 4.45Å; F653-R838 HydrophobicContact CG-CG 3.97Å
654	T	91.1	Very high	89.9	Confident	81 Å²	81	39.9 Å²	39.9	50%	0.497	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	140.2	179.9	50.2	0	0	0	0	111.4	S636 L637	S636-T654 WeakPolarHBondContact O-CA 3.41Å; L637-T654 HydrophobicContact CD2-CG2 3.4Å; L637-T654 VanDerWaalsContact CD2-CG2 3.4Å
655	L	87.7	Confident	90.3	Very high	37 Å²	37	38 Å²	38	19%	0.194	23%	0.227	C	C	.	.			trans	-100.7	-72.9	173.8	-72.8	173.9	0	0	0	112.7	S636 V638 F653 V660 M821 Y829 H831	S636-L655 PolarHBondContact O-N 3.41Å; V638-L655 HydrophobicContact CG2-CD1 3.36Å; V638-L655 HydrophobicContact CG2-CD2 4.45Å; V638-L655 HydrophobicContact CG2-CG 3.7Å; F653-L655 HydrophobicContact CD2-CD2 4.47Å; F653-L655 HydrophobicContact CE2-CD2 4.05Å; F653-L655 HydrophobicContact CE2-CG 4.46Å; L655-V660 HydrophobicContact CD1-CG2 3.84Å; L655-M821 HydrophobicContact CD1-CE 3.86Å; L655-M821 HydrophobicContact CD1-SD 3.75Å; L655-M821 HydrophobicContact CD2-CE 4.1Å; L655-Y829 HydrophobicContact CD1-CD2 4.37Å; L655-Y829 HydrophobicContact CD2-CG 4.45Å; L655-H831 VanDerWaalsContact CD2-NE2 3.29Å; L655-H831 WeakPolarHBondContact CD2-NE2 3.38Å
656	S	79	Confident	90.8	Very high	29 Å²	29	32.3 Å²	32.3	20%	0.203	20%	0.203	C	C	.	.			trans	-152	178.7	-173.8	71.1	0	0	0	0	111.5	S636 S658 Y829	S636-S656 WeakPolarHBondContact CB-O 3.29Å; S636-S656 PolarHBondContact N-O 2.82Å; S656-S658 VanDerWaalsContact C-N 3.31Å; S656-S658 PolarHBondContact OG-N 3.21Å; S656-S658 PolarHBondContact OG-O 2.97Å; S656-Y829 WeakPolarHBondContact CB-OH 3.5Å; S656-Y829 PolarHBondContact OG-OH 3.05Å
657	S	82.3	Confident	91.1	Very high	102 Å²	102	33.6 Å²	33.6	71%	0.713	21%	0.206	S	C	*	.	S	Bend	trans	-79.3	-9.4	172.4	54	0	0	0	0	114.1	G634	G634-S657 WeakPolarHBondContact O-CA 3.39Å
658	S	88.9	Confident	91.4	Very high	23 Å²	23	31 Å²	31	16%	0.161	18%	0.179	C	C	.	.	S	Bend	trans	-92.5	137.8	179.1	-173.2	0	0	0	0	111.3	S636 S656 V660 G825	S636-S658 WeakPolarHBondContact CB-O 3.47Å; S636-S658 PolarHBondContact OG-O 3.01Å; S656-S658 VanDerWaalsContact C-N 3.31Å; S656-S658 PolarHBondContact OG-N 3.21Å; S656-S658 PolarHBondContact OG-O 2.97Å; S658-V660 PolarHBondContact O-N 2.85Å; S658-G825 PolarHBondContact OG-N 2.83Å
659	H	92.4	Very high	91.6	Very high	51 Å²	51	27.5 Å²	27.5	24%	0.236	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-63	132.1	178.1	-61.6	-50.8	0	0	0	112	W553 S631 S636 S823 Q824	W553-H659 HydrophobicContact CH2-CB 4.46Å; W553-H659 HydrophobicContact CZ2-CB 4.39Å; W553-H659 AromaticContact CZ2-CE1 3.96Å; W553-H659 AromaticContact CZ2-CG 3.84Å; W553-H659 AromaticContact CZ2-ND1 3.77Å; S631-H659 PolarHBondContact OG-CE1 2.9Å; S631-H659 PolarHBondContact OG-ND1 2.83Å; S636-H659 WeakPolarHBondContact OG-CA 3.39Å; H659-S823 CarbonylContact O-C 3.52Å; H659-S823 VanDerWaalsContact O-CA 3.28Å; H659-S823 WeakPolarHBondContact O-CA 3.36Å; H659-Q824 PolarHBondContact CD2-OE1 3.19Å; H659-Q824 PolarHBondContact O-N 3.45Å
660	V	96.1	Very high	91.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	116.6	172.5	-179.7	0	0	0	0	109.2	W553 C629 L655 S658 C662 M821 G822	W553-V660 VanDerWaalsContact CB-O 3.31Å; W553-V660 WeakPolarHBondContact CB-O 3.3Å; C629-V660 HydrophobicContact CB-CB 3.96Å; C629-V660 HydrophobicContact CB-CG1 3.95Å; L655-V660 HydrophobicContact CD1-CG2 3.84Å; S658-V660 PolarHBondContact O-N 2.85Å; V660-C662 WeakPolarHBondContact CG1-O 3.29Å; V660-M821 HydrophobicContact CG1-CB 3.97Å; V660-M821 HydrophobicContact CG1-CG 4.45Å; V660-G822 CarbonylContact C-O 3.57Å
661	L	95.7	Very high	91	Very high	36 Å²	36	27.2 Å²	27.2	19%	0.188	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-29	-173.9	-60.6	-178.4	0	0	0	112.9	W553 L751 G822 Q824 L851	W553-L661 HydrophobicContact CE3-CD2 4.46Å; L661-L751 HydrophobicContact CD2-CD1 4.04Å; L661-G822 PolarHBondContact N-O 3.37Å; L661-Q824 HydrophobicContact CD1-CB 3.87Å; L661-Q824 HydrophobicContact CD1-CG 4.33Å; L661-Q824 HydrophobicContact CD2-CB 4.24Å; L661-Q824 HydrophobicContact CG-CB 4.03Å; L661-L851 HydrophobicContact CD1-CD2 3.83Å
662	C	97.3	Very high	90.4	Very high	12 Å²	12	30.2 Å²	30.2	8%	0.081	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	154.7	178.5	63.2	0	0	0	0	112	V660 M821 G822 V850	V660-C662 WeakPolarHBondContact CG1-O 3.29Å; C662-M821 WeakPolarHBondContact O-CA 3.48Å; C662-G822 PolarHBondContact N-O 3.1Å; C662-G822 PolarHBondContact O-N 3.19Å; C662-V850 PolarHBondContact SG-O 3.34Å; C662-V850 VanDerWaalsContact SG-O 3.4Å
663	I	98	Very high	89.8	Confident	20 Å²	20	28.5 Å²	28.5	10%	0.103	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.7	178.4	-179.6	170.5	0	0	0	108.7	C554 A556 W627 V819 W820 M821	C554-I663 HydrophobicContact CB-CG2 4.05Å; A556-I663 HydrophobicContact CB-CB 4.44Å; A556-I663 HydrophobicContact CB-CD1 4.38Å; A556-I663 HydrophobicContact CB-CG1 3.96Å; A556-I663 HydrophobicContact CB-CG2 3.89Å; W627-I663 HydrophobicContact CB-CD1 3.62Å; I663-V819 HydrophobicContact CD1-CG1 3.62Å; I663-V819 HydrophobicContact CG1-CG1 3.66Å; I663-W820 CarbonylContact C-O 3.51Å; I663-W820 WeakPolarHBondContact CA-O 3.36Å; I663-M821 HydrophobicContact CB-CG 4.08Å; I663-M821 HydrophobicContact CD1-CG 3.83Å; I663-M821 HydrophobicContact CD1-SD 4.07Å; I663-M821 HydrophobicContact CG1-CG 3.69Å
664	C	97.3	Very high	89	Confident	18 Å²	18	29.5 Å²	29.5	12%	0.122	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131.3	179.4	-177.7	0	0	0	0	110	W820 I853	C664-W820 PolarHBondContact N-O 2.89Å; C664-W820 PolarHBondContact O-N 2.69Å; C664-I853 HydrophobicContact CB-CB 3.67Å; C664-I853 HydrophobicContact CB-CG2 3.67Å; C664-I853 WeakPolarHBondContact CB-O 3.21Å; C664-I853 PolarHBondContact SG-O 2.91Å; C664-I853 VanDerWaalsContact SG-O 3.4Å
665	S	95.9	Very high	88	Confident	20 Å²	20	30.9 Å²	30.9	14%	0.14	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.4	166.9	-174.5	0	0	0	0	109.5	A557 D559	A557-S665 WeakPolarHBondContact O-CB 3.36Å; D559-S665 PolarHBondContact N-OG 3.12Å
666	V	95.1	Very high	86.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.4	-178.8	175.1	0	0	0	0	108.4	P817 T818 W820 Q855 V860 W880	V666-P817 WeakPolarHBondContact O-CA 3.39Å; V666-T818 WeakPolarHBondContact CB-OG1 3.46Å; V666-T818 PolarHBondContact N-O 2.9Å; V666-T818 PolarHBondContact O-N 3.38Å; V666-T818 VanDerWaalsContact O-O 3.1Å; V666-W820 HydrophobicContact CG2-CB 4.27Å; V666-W820 HydrophobicContact CG2-CD2 4.19Å; V666-W820 HydrophobicContact CG2-CG 3.7Å; V666-Q855 HydrophobicContact CG1-CG 4.31Å; V666-V860 HydrophobicContact CG1-CG2 3.88Å; V666-V860 HydrophobicContact CG2-CG2 3.98Å; V666-W880 HydrophobicContact CG1-CH2 4.38Å; V666-W880 HydrophobicContact CG1-CZ2 3.43Å; V666-W880 VanDerWaalsContact CG1-CZ2 3.43Å
667	R	91.7	Very high	85.6	Confident	41 Å²	41	34 Å²	34	16%	0.155	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-57.1	149.9	178.1	-71.3	-179.5	-77.7	170.5	-10.6	111.2	D559 E670 R874	D559-R667 HydrophobicContact CB-CG 4.07Å; D559-R667 VanDerWaalsContact CG-CG 3.42Å; D559-R667 WeakPolarHBondContact OD2-CD 3.16Å; D559-R667 WeakPolarHBondContact OD2-CG 3.45Å; R667-E670 IonicContact CZ-OE1 3.48Å; R667-E670 IonicContact NE-OE1 3.17Å; R667-E670 IonicContact NH1-OE1 3.49Å; R667-E670 PolarHBondContact NH1-OE1 2.83Å; R667-E670 IonicContact NH1-OE2 2.84Å; R667-R874 PolarHBondContact O-NH2 3.34Å
668	G	90.5	Very high	84.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-64.8	168.9	168.7	0	0	0	0	0	111.9	R561 E670 I815	R561-G668 PolarHBondContact O-N 2.8Å; G668-E670 PolarHBondContact O-N 3.28Å; G668-I815 CarbonylContact C-O 3.57Å; G668-I815 WeakPolarHBondContact CA-O 3.49Å
669	T	89.5	Confident	82.4	Confident	2 Å²	2	36 Å²	36	1%	0.012	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-64	130.3	-179.4	-48.8	0	0	0	0	110.7	G562 G563 F564 E673 Y674 I815 R874 G878	G562-T669 CarbonylContact C-O 3.59Å; G563-T669 PolarHBondContact N-O 3.26Å; F564-T669 PolarHBondContact N-O 2.82Å; T669-E673 HydrophobicContact CG2-CB 4.3Å; T669-Y674 HydrophobicContact CG2-CD2 4.3Å; T669-Y674 HydrophobicContact CG2-CE1 4.38Å; T669-Y674 HydrophobicContact CG2-CE2 3.57Å; T669-I815 PolarHBondContact N-O 2.9Å; T669-R874 PolarHBondContact OG1-NE 3.48Å; T669-R874 PolarHBondContact OG1-NH1 3.3Å; T669-G878 PolarHBondContact OG1-O 2.92Å
670	E	85.2	Confident	80.4	Confident	22 Å²	22	36.9 Å²	36.9	10%	0.103	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-93.4	153	176.1	-63.3	177.5	173.9	0	0	110.7	R667 G668 K672 E673	R667-E670 IonicContact CZ-OE1 3.48Å; R667-E670 IonicContact NE-OE1 3.17Å; R667-E670 IonicContact NH1-OE1 3.49Å; R667-E670 PolarHBondContact NH1-OE1 2.83Å; R667-E670 IonicContact NH1-OE2 2.84Å; G668-E670 PolarHBondContact O-N 3.28Å; E670-K672 VanDerWaalsContact C-N 3.3Å; E670-K672 HydrophobicContact CB-CG 4.2Å; E670-K672 PolarHBondContact O-N 2.98Å; E670-K672 WeakPolarHBondContact OE2-CE 3.25Å; E670-K672 IonicContact OE2-NZ 3.43Å; E670-E673 HydrophobicContact CB-CG 4.19Å; E670-E673 VanDerWaalsContact O-CB 3.32Å; E670-E673 WeakPolarHBondContact O-CB 3.43Å; E670-E673 PolarHBondContact O-N 3.48Å
671	L	81.4	Confident	78.4	Confident	13 Å²	13	40.8 Å²	40.8	7%	0.068	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-39.7	-177.3	-173.8	54	0	0	0	112.4	F564 L583 N586 E673 Y674	F564-L671 HydrophobicContact CB-CB 4.4Å; F564-L671 HydrophobicContact CG-CB 4.34Å; L583-L671 HydrophobicContact CD2-CD2 4.22Å; N586-L671 HydrophobicContact CB-CB 4.06Å; N586-L671 HydrophobicContact CB-CD2 3.73Å; N586-L671 HydrophobicContact CB-CG 4.25Å; L671-E673 PolarHBondContact O-N 3.49Å; L671-Y674 HydrophobicContact CD1-CD2 4.17Å; L671-Y674 PolarHBondContact O-N 3.46Å
672	K	79.6	Confident	76.4	Confident	74 Å²	74	45 Å²	45	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-59	-27.2	175.9	60.4	-176.4	170.8	-170.6	0	113.1	E614 E670 Y674 M675 F676	E614-K672 IonicContact OE1-NZ 2.69Å; E614-K672 IonicContact OE2-NZ 2.69Å; E614-K672 PolarHBondContact OE2-NZ 2.95Å; E670-K672 VanDerWaalsContact C-N 3.3Å; E670-K672 HydrophobicContact CB-CG 4.2Å; E670-K672 PolarHBondContact O-N 2.98Å; E670-K672 WeakPolarHBondContact OE2-CE 3.25Å; E670-K672 IonicContact OE2-NZ 3.43Å; K672-Y674 VanDerWaalsContact C-N 3.3Å; K672-Y674 PolarHBondContact O-N 3.1Å; K672-M675 WeakPolarHBondContact O-CB 3.34Å; K672-M675 PolarHBondContact O-N 3.04Å; K672-M675 VanDerWaalsContact O-N 3.17Å; K672-F676 WeakPolarHBondContact O-CD2 3.45Å
673	E	79.1	Confident	74.5	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-67.6	-28	179.9	-70.8	-171.4	-174.7	0	0	113.4	T669 E670 L671 M675 F676 T677 R857 S858 R874	T669-E673 HydrophobicContact CG2-CB 4.3Å; E670-E673 HydrophobicContact CB-CG 4.19Å; E670-E673 VanDerWaalsContact O-CB 3.32Å; E670-E673 WeakPolarHBondContact O-CB 3.43Å; E670-E673 PolarHBondContact O-N 3.48Å; L671-E673 PolarHBondContact O-N 3.49Å; E673-M675 PolarHBondContact O-N 3.4Å; E673-F676 PolarHBondContact O-N 3.27Å; E673-T677 PolarHBondContact O-N 3.33Å; E673-T677 PolarHBondContact O-OG1 2.92Å; E673-R857 WeakPolarHBondContact OE1-CA 3.26Å; E673-S858 VanDerWaalsContact CB-OG 3.27Å; E673-S858 WeakPolarHBondContact CB-OG 3.32Å; E673-S858 VanDerWaalsContact CG-OG 3.27Å; E673-S858 WeakPolarHBondContact CG-OG 3.01Å; E673-S858 PolarHBondContact OE1-N 2.6Å; E673-S858 WeakPolarHBondContact OE2-CA 3.31Å; E673-S858 WeakPolarHBondContact OE2-CB 3.21Å; E673-S858 PolarHBondContact OE2-OG 3.44Å; E673-R874 WeakPolarHBondContact OE2-CD 3.46Å; E673-R874 IonicContact OE2-NE 3.46Å
674	Y	76.2	Confident	73.1	Confident	30 Å²	30	49 Å²	49	12%	0.118	26%	0.258	C	S	.	.	H	α-helix	trans	-66.6	-27.2	174.2	-68	-76.4	0	0	0	112.6	F564 T565 E566 T669 L671 K672 F676 T677 K876	F564-Y674 VanDerWaalsContact O-CE2 3.29Å; F564-Y674 WeakPolarHBondContact O-CE2 3.47Å; F564-Y674 PolarHBondContact O-OH 2.83Å; T565-Y674 VanDerWaalsContact C-CE2 3.43Å; T565-Y674 WeakPolarHBondContact CA-OH 3.26Å; T565-Y674 WeakPolarHBondContact O-CE2 3.37Å; E566-Y674 HydrophobicContact CB-CD1 3.62Å; E566-Y674 HydrophobicContact CB-CE1 3.59Å; E566-Y674 HydrophobicContact CB-CG 4.2Å; E566-Y674 HydrophobicContact CG-CD1 3.7Å; E566-Y674 HydrophobicContact CG-CE1 4.18Å; E566-Y674 HydrophobicContact CG-CG 4.2Å; E566-Y674 VanDerWaalsContact N-CZ 3.32Å; T669-Y674 HydrophobicContact CG2-CD2 4.3Å; T669-Y674 HydrophobicContact CG2-CE1 4.38Å; T669-Y674 HydrophobicContact CG2-CE2 3.57Å; L671-Y674 HydrophobicContact CD1-CD2 4.17Å; L671-Y674 PolarHBondContact O-N 3.46Å; K672-Y674 VanDerWaalsContact C-N 3.3Å; K672-Y674 PolarHBondContact O-N 3.1Å; Y674-F676 VanDerWaalsContact C-N 3.35Å; Y674-T677 WeakPolarHBondContact CA-OG1 3.49Å; Y674-T677 PolarHBondContact O-OG1 3.03Å; Y674-K876 WeakPolarHBondContact CD1-O 3.27Å; Y674-K876 VanDerWaalsContact CE1-O 3.27Å; Y674-K876 WeakPolarHBondContact CE1-O 3.29Å
675	M	69.4	Low	72.2	Confident	110 Å²	110	51.3 Å²	51.3	54%	0.542	28%	0.279	S	S	.	.	H	α-helix	trans	-74.6	-26.4	177.5	-55.8	-171.9	78	0	0	112.3	K672 E673	K672-M675 WeakPolarHBondContact O-CB 3.34Å; K672-M675 PolarHBondContact O-N 3.04Å; K672-M675 VanDerWaalsContact O-N 3.17Å; E673-M675 PolarHBondContact O-N 3.4Å
676	F	62.7	Low	71.6	Confident	113 Å²	113	54.3 Å²	54.3	50%	0.496	29%	0.287	S	S	.	.	H	α-helix	trans	-101.7	-2.8	-177.9	-62.3	-74.9	0	0	0	114.1	K672 E673 Y674 A678 L679	K672-F676 WeakPolarHBondContact O-CD2 3.45Å; E673-F676 PolarHBondContact O-N 3.27Å; Y674-F676 VanDerWaalsContact C-N 3.35Å; F676-A678 PolarHBondContact O-N 2.9Å; F676-L679 HydrophobicContact CB-CD1 4.47Å; F676-L679 WeakPolarHBondContact O-CD1 3.48Å; F676-L679 VanDerWaalsContact O-CG 3.32Å; F676-L679 WeakPolarHBondContact O-CG 3.36Å; F676-L679 PolarHBondContact O-N 3.13Å
677	T	52.7	Low	70.8	Confident	19 Å²	19	61.6 Å²	61.6	12%	0.117	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-71.6	7.2	-169.5	-11.2	0	0	0	0	115.3	E673 Y674 L679	E673-T677 PolarHBondContact O-N 3.33Å; E673-T677 PolarHBondContact O-OG1 2.92Å; Y674-T677 WeakPolarHBondContact CA-OG1 3.49Å; Y674-T677 PolarHBondContact O-OG1 3.03Å; T677-L679 PolarHBondContact O-N 3.07Å
678	A	51.7	Low	70.3	Confident	95 Å²	95	60 Å²	60	79%	0.785	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-61.9	-4.4	165.5	0	0	0	0	0	113.3	F676 F680	F676-A678 PolarHBondContact O-N 2.9Å; A678-F680 PolarHBondContact O-N 3.27Å
679	L	53.2	Low	69.9	Low	72 Å²	72	63.8 Å²	63.8	38%	0.377	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-76.9	-3.3	-175.8	-72.1	166.2	0	0	0	116.9	F676 T677 D681	F676-L679 HydrophobicContact CB-CD1 4.47Å; F676-L679 WeakPolarHBondContact O-CD1 3.48Å; F676-L679 VanDerWaalsContact O-CG 3.32Å; F676-L679 WeakPolarHBondContact O-CG 3.36Å; F676-L679 PolarHBondContact O-N 3.13Å; T677-L679 PolarHBondContact O-N 3.07Å; L679-D681 VanDerWaalsContact C-N 3.26Å; L679-D681 PolarHBondContact O-N 3.15Å; L679-D681 VanDerWaalsContact O-N 3.08Å
680	F	50.4	Low	69.4	Low	68 Å²	68	68 Å²	68	30%	0.298	38%	0.376	S	S	.	.			trans	-82.7	77.1	169.8	-163.6	-88.8	0	0	0	109.4	A678 K682 W705 C873 C881	A678-F680 PolarHBondContact O-N 3.27Å; F680-K682 HydrophobicContact CD1-CG 4.5Å; F680-K682 HydrophobicContact CE1-CD 4.41Å; F680-K682 HydrophobicContact CE1-CG 3.77Å; F680-K682 HydrophobicContact CZ-CG 4.35Å; F680-W705 AromaticContact CE2-CH2 3.6Å; F680-W705 HydrophobicContact CE2-CH2 3.6Å; F680-W705 AromaticContact CE2-CZ3 3.73Å; F680-W705 HydrophobicContact CE2-CZ3 3.73Å; F680-W705 AromaticContact CZ-CH2 3.42Å; F680-W705 HydrophobicContact CZ-CH2 3.42Å; F680-W705 VanDerWaalsContact CZ-CH2 3.42Å; F680-W705 HydrophobicContact CZ-CZ2 4.01Å; F680-W705 AromaticContact CZ-CZ3 3.77Å; F680-W705 HydrophobicContact CZ-CZ3 3.77Å; F680-C873 HydrophobicContact CD2-CB 4.2Å; F680-C881 HydrophobicContact CE2-CB 4.35Å
681	D	54.1	Low	68.9	Low	84 Å²	84	70.9 Å²	70.9	45%	0.449	39%	0.392	S	S	.	.			trans	-105.1	111.3	167.2	-160.5	-9.7	0	0	0	109.6	L679 S683 I684 Y886	L679-D681 VanDerWaalsContact C-N 3.26Å; L679-D681 PolarHBondContact O-N 3.15Å; L679-D681 VanDerWaalsContact O-N 3.08Å; D681-S683 VanDerWaalsContact CG-CB 3.48Å; D681-S683 PolarHBondContact O-N 3.11Å; D681-S683 WeakPolarHBondContact OD1-CB 3.34Å; D681-S683 PolarHBondContact OD1-N 3.04Å; D681-S683 PolarHBondContact OD1-OG 2.8Å; D681-S683 VanDerWaalsContact OD1-OG 3.11Å; D681-S683 WeakPolarHBondContact OD2-CB 3.48Å; D681-S683 PolarHBondContact OD2-OG 3.38Å; D681-I684 HydrophobicContact CB-CG1 4.44Å; D681-I684 WeakPolarHBondContact O-CG1 3.48Å; D681-I684 PolarHBondContact O-N 3.07Å; D681-Y886 PolarHBondContact O-OH 2.87Å
682	K	53.9	Low	68.1	Low	123 Å²	123	75.5 Å²	75.5	54%	0.535	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-58.1	-13.7	171.7	-71.6	-173.2	176.9	-174.2	0	111.7	F680 I684 Y886	F680-K682 HydrophobicContact CD1-CG 4.5Å; F680-K682 HydrophobicContact CE1-CD 4.41Å; F680-K682 HydrophobicContact CE1-CG 3.77Å; F680-K682 HydrophobicContact CZ-CG 4.35Å; K682-I684 VanDerWaalsContact C-N 3.27Å; K682-I684 PolarHBondContact O-N 3.11Å; K682-Y886 WeakPolarHBondContact CA-OH 3.4Å
683	S	56.1	Low	67.1	Low	78 Å²	78	75.2 Å²	75.2	55%	0.545	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-70.8	-8.9	177.3	83.5	0	0	0	0	115.4	D681 A685	D681-S683 VanDerWaalsContact CG-CB 3.48Å; D681-S683 PolarHBondContact O-N 3.11Å; D681-S683 WeakPolarHBondContact OD1-CB 3.34Å; D681-S683 PolarHBondContact OD1-N 3.04Å; D681-S683 PolarHBondContact OD1-OG 2.8Å; D681-S683 VanDerWaalsContact OD1-OG 3.11Å; D681-S683 WeakPolarHBondContact OD2-CB 3.48Å; D681-S683 PolarHBondContact OD2-OG 3.38Å; S683-A685 PolarHBondContact O-N 3.48Å
684	I	69.4	Low	66.3	Low	38 Å²	38	77.8 Å²	77.8	20%	0.195	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-68.1	-3.9	-179.5	-59.8	165.2	0	0	0	112.5	D681 K682 R686 I703 L923	D681-I684 HydrophobicContact CB-CG1 4.44Å; D681-I684 WeakPolarHBondContact O-CG1 3.48Å; D681-I684 PolarHBondContact O-N 3.07Å; K682-I684 VanDerWaalsContact C-N 3.27Å; K682-I684 PolarHBondContact O-N 3.11Å; I684-R686 PolarHBondContact O-N 3.36Å; I684-I703 HydrophobicContact CG2-CD1 4.01Å; I684-I703 HydrophobicContact CG2-CG2 4.47Å; I684-L923 HydrophobicContact CG2-CD1 4.24Å
685	A	78.2	Confident	65.7	Low	68 Å²	68	86.1 Å²	86.1	56%	0.562	49%	0.491	S	S	*	.			trans	-53.5	118.3	172.2	0	0	0	0	0	110.4	S683 I703	S683-A685 PolarHBondContact O-N 3.48Å; A685-I703 WeakPolarHBondContact CA-O 3.34Å
686	R	83.1	Confident	65.7	Low	83 Å²	83	86.5 Å²	86.5	31%	0.313	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-134.4	134.6	-173	-170.1	-176.2	68.3	169.2	0.7	109.5	I684 G688 G701 A702 I703 E924	I684-R686 PolarHBondContact O-N 3.36Å; R686-G688 PolarHBondContact O-N 3.42Å; R686-G701 PolarHBondContact NE-O 3.06Å; R686-G701 PolarHBondContact NH2-O 2.93Å; R686-A702 WeakPolarHBondContact O-CA 3.49Å; R686-I703 PolarHBondContact N-O 3.08Å; R686-I703 PolarHBondContact O-N 3.3Å; R686-E924 IonicContact NH1-OE1 3.77Å; R686-E924 PolarHBondContact NH1-OE1 2.93Å
687	D	79.4	Confident	66.4	Low	153 Å²	153	85.4 Å²	85.4	82%	0.818	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-69.6	126.9	167.9	-66.1	-36.7	0	0	0	109.1
688	G	80.4	Confident	67.9	Low	8 Å²	8	85.4 Å²	85.4	8%	0.082	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-68.4	173.3	179.4	0	0	0	0	0	112.7	R686 M699 V700 A702	R686-G688 PolarHBondContact O-N 3.42Å; G688-M699 WeakPolarHBondContact O-CE 3.34Å; G688-V700 CarbonylContact C-O 3.57Å; G688-V700 WeakPolarHBondContact CA-O 3.39Å; G688-A702 VanDerWaalsContact CA-N 3.35Å
689	S	81.8	Confident	69.6	Low	79 Å²	79	85 Å²	85	55%	0.552	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.9	170.7	-62.8	0	0	0	0	109.6	L691 M699 V700	S689-L691 PolarHBondContact O-N 3.14Å; S689-M699 CarbonylContact O-C 3.57Å; S689-M699 WeakPolarHBondContact O-CA 3.25Å; S689-V700 PolarHBondContact N-O 2.82Å; S689-V700 PolarHBondContact O-N 3Å
690	P	78.6	Confident	71.3	Confident	90 Å²	90	82 Å²	82	58%	0.584	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	119.8	175.5	26.7	-31.9	0	0	0	109.7	T697 M699	P690-T697 HydrophobicContact CB-CG2 3.73Å; P690-M699 HydrophobicContact CB-SD 3.86Å
691	L	74.6	Confident	73.2	Confident	82 Å²	82	79 Å²	79	43%	0.429	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.4	174.3	-113.4	143.7	0	0	0	108.1	S689 V698 V700	S689-L691 PolarHBondContact O-N 3.14Å; L691-V698 PolarHBondContact N-O 2.87Å; L691-V698 PolarHBondContact O-N 3.35Å; L691-V700 HydrophobicContact CB-CB 4.34Å; L691-V700 HydrophobicContact CB-CG2 3.8Å; L691-V700 HydrophobicContact CD1-CB 3.61Å; L691-V700 HydrophobicContact CD1-CG1 3.94Å; L691-V700 HydrophobicContact CD1-CG2 3.73Å; L691-V700 HydrophobicContact CG-CG2 4.38Å
692	V	65.4	Low	75	Confident	110 Å²	110	75.9 Å²	75.9	67%	0.667	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	110.9	175	-179.3	0	0	0	0	107.7
693	D	58.1	Low	76.9	Confident	69 Å²	69	70.4 Å²	70.4	37%	0.369	41%	0.412	S	S	.	.			trans	-129.5	78	178.1	-169.4	12.1	0	0	0	109.7	Q892 R912	D693-Q892 PolarHBondContact O-NE2 3.25Å; D693-R912 VanDerWaalsContact CG-NH1 3.29Å; D693-R912 IonicContact OD1-NH1 3.31Å; D693-R912 IonicContact OD2-CZ 3.41Å; D693-R912 IonicContact OD2-NH1 2.73Å; D693-R912 PolarHBondContact OD2-NH1 2.76Å
694	G	63.6	Low	78.6	Confident	62 Å²	62	72.3 Å²	72.3	64%	0.639	41%	0.407	S	S	*	.	S	Bend	trans	94.3	-138.3	-170.2	0	0	0	0	0	112.3
695	E	62.2	Low	79.7	Confident	204 Å²	204	72.6 Å²	72.6	95%	0.953	41%	0.406	S	S	*	.	S	Bend	trans	-86.7	-13.9	-175.8	-65.6	-175.4	166.5	0	0	114.2
696	E	70.3	Confident	80.4	Confident	118 Å²	118	70 Å²	70	55%	0.551	38%	0.383	S	S	*	.			trans	-109.1	141.9	-178.8	-72.5	-176.5	166.4	0	0	112.6
697	T	77.9	Confident	80.7	Confident	91 Å²	91	70 Å²	70	56%	0.558	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.7	174.1	-50.4	0	0	0	0	109.8	P690	P690-T697 HydrophobicContact CB-CG2 3.73Å
698	V	84.1	Confident	81.1	Confident	18 Å²	18	63.5 Å²	63.5	11%	0.109	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.7	179	179.7	0	0	0	0	110.7	L691 V700 T889 G891 Q892	L691-V698 PolarHBondContact N-O 2.87Å; L691-V698 PolarHBondContact O-N 3.35Å; V698-V700 HydrophobicContact CB-CG2 4.5Å; V698-V700 HydrophobicContact CG1-CG2 4.18Å; V698-V700 PolarHBondContact O-N 3.16Å; V698-V700 VanDerWaalsContact O-N 3.11Å; V698-T889 HydrophobicContact CG1-CG2 3.76Å; V698-G891 WeakPolarHBondContact CG1-O 3.4Å; V698-Q892 HydrophobicContact CG2-CB 4.33Å; V698-Q892 HydrophobicContact CG2-CG 3.48Å; V698-Q892 VanDerWaalsContact CG2-CG 3.48Å
699	M	87.8	Confident	81.1	Confident	86 Å²	86	68.1 Å²	68.1	42%	0.424	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	77.5	177.9	-57.7	-57.9	-80.3	0	0	110.4	G688 S689 P690 A702	G688-M699 WeakPolarHBondContact O-CE 3.34Å; S689-M699 CarbonylContact O-C 3.57Å; S689-M699 WeakPolarHBondContact O-CA 3.25Å; P690-M699 HydrophobicContact CB-SD 3.86Å; M699-A702 HydrophobicContact CB-CB 4.07Å; M699-A702 WeakPolarHBondContact O-CB 3.09Å; M699-A702 PolarHBondContact O-N 3.49Å
700	V	88.4	Confident	80.8	Confident	11 Å²	11	70.5 Å²	70.5	7%	0.067	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	136.2	-179.2	174.3	0	0	0	0	110.3	G688 S689 L691 V698 A702 V890 F916 L925	G688-V700 CarbonylContact C-O 3.57Å; G688-V700 WeakPolarHBondContact CA-O 3.39Å; S689-V700 PolarHBondContact N-O 2.82Å; S689-V700 PolarHBondContact O-N 3Å; L691-V700 HydrophobicContact CB-CB 4.34Å; L691-V700 HydrophobicContact CB-CG2 3.8Å; L691-V700 HydrophobicContact CD1-CB 3.61Å; L691-V700 HydrophobicContact CD1-CG1 3.94Å; L691-V700 HydrophobicContact CD1-CG2 3.73Å; L691-V700 HydrophobicContact CG-CG2 4.38Å; V698-V700 HydrophobicContact CB-CG2 4.5Å; V698-V700 HydrophobicContact CG1-CG2 4.18Å; V698-V700 PolarHBondContact O-N 3.16Å; V698-V700 VanDerWaalsContact O-N 3.11Å; V700-A702 VanDerWaalsContact C-N 3.28Å; V700-V890 VanDerWaalsContact CG1-O 3.31Å; V700-V890 WeakPolarHBondContact CG1-O 3.39Å; V700-V890 WeakPolarHBondContact CG2-O 3.28Å; V700-F916 HydrophobicContact CG1-CE1 4.25Å; V700-L925 HydrophobicContact CG1-CD2 3.8Å
701	G	90.6	Very high	80.4	Confident	3 Å²	3	67.5 Å²	67.5	3%	0.031	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	5.9	-173.7	0	0	0	0	0	114.1	R686 T889	R686-G701 PolarHBondContact NE-O 3.06Å; R686-G701 PolarHBondContact NH2-O 2.93Å; G701-T889 PolarHBondContact N-O 3.48Å
702	A	92.3	Very high	79.8	Confident	19 Å²	19	72.3 Å²	72.3	16%	0.157	39%	0.385	C	S	.	.			trans	-66.9	135.8	171.8	0	0	0	0	0	110.3	R686 G688 M699 V700 L888 T889	R686-A702 WeakPolarHBondContact O-CA 3.49Å; G688-A702 VanDerWaalsContact CA-N 3.35Å; M699-A702 HydrophobicContact CB-CB 4.07Å; M699-A702 WeakPolarHBondContact O-CB 3.09Å; M699-A702 PolarHBondContact O-N 3.49Å; V700-A702 VanDerWaalsContact C-N 3.28Å; A702-L888 WeakPolarHBondContact O-CA 3.37Å; A702-T889 PolarHBondContact O-N 3.13Å
703	I	93.1	Very high	79.5	Confident	8 Å²	8	73 Å²	73	4%	0.041	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.7	179.5	-61.2	166.6	0	0	0	108.6	I684 A685 R686 Y886 Q887 L888 L923	I684-I703 HydrophobicContact CG2-CD1 4.01Å; I684-I703 HydrophobicContact CG2-CG2 4.47Å; A685-I703 WeakPolarHBondContact CA-O 3.34Å; R686-I703 PolarHBondContact N-O 3.08Å; R686-I703 PolarHBondContact O-N 3.3Å; I703-Y886 HydrophobicContact CG2-CD1 3.89Å; I703-Y886 HydrophobicContact CG2-CG 4.42Å; I703-Q887 WeakPolarHBondContact CA-O 3.41Å; I703-L888 HydrophobicContact CD1-CD1 4.19Å; I703-L888 HydrophobicContact CG1-CB 4.5Å; I703-L888 HydrophobicContact CG1-CD1 3.58Å; I703-L923 HydrophobicContact CD1-CB 3.42Å; I703-L923 VanDerWaalsContact CD1-CB 3.42Å; I703-L923 HydrophobicContact CD1-CD1 4.11Å; I703-L923 HydrophobicContact CD1-CG 4.41Å
704	R	92.3	Very high	79.7	Confident	118 Å²	118	71.9 Å²	71.9	45%	0.445	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.4	172.9	64.2	178.8	179.9	141.8	3.2	111.5	V706 E847 Y886 Q887	R704-V706 HydrophobicContact CG-CG2 4.43Å; R704-E847 IonicContact CZ-OE1 2.82Å; R704-E847 IonicContact NH2-OE1 2.79Å; R704-E847 PolarHBondContact NH2-OE1 2.85Å; R704-E847 IonicContact NH2-OE2 3.59Å; R704-E847 PolarHBondContact NH2-OE2 3.06Å; R704-Y886 CarbonylContact O-C 3.55Å; R704-Y886 WeakPolarHBondContact O-CA 3.35Å; R704-Q887 HydrophobicContact CG-CB 4.07Å; R704-Q887 PolarHBondContact N-O 3.27Å; R704-Q887 VanDerWaalsContact N-O 3.07Å; R704-Q887 PolarHBondContact O-N 3.41Å
705	W	91.8	Very high	79.4	Confident	45 Å²	45	70.4 Å²	70.4	17%	0.17	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.4	171.2	177.8	-96.3	0	0	0	109.8	F680 N707 G884 Y886	F680-W705 AromaticContact CE2-CH2 3.6Å; F680-W705 HydrophobicContact CE2-CH2 3.6Å; F680-W705 AromaticContact CE2-CZ3 3.73Å; F680-W705 HydrophobicContact CE2-CZ3 3.73Å; F680-W705 AromaticContact CZ-CH2 3.42Å; F680-W705 HydrophobicContact CZ-CH2 3.42Å; F680-W705 VanDerWaalsContact CZ-CH2 3.42Å; F680-W705 HydrophobicContact CZ-CZ2 4.01Å; F680-W705 AromaticContact CZ-CZ3 3.77Å; F680-W705 HydrophobicContact CZ-CZ3 3.77Å; W705-N707 PolarHBondContact NE1-OD1 3.14Å; W705-G884 VanDerWaalsContact CH2-O 3.22Å; W705-G884 WeakPolarHBondContact CH2-O 3.41Å; W705-Y886 HydrophobicContact CB-CE1 4.48Å; W705-Y886 AromaticContact CE3-CD1 3.84Å; W705-Y886 HydrophobicContact CE3-CD1 3.84Å; W705-Y886 HydrophobicContact CE3-CD2 4Å; W705-Y886 AromaticContact CE3-CE1 3.63Å; W705-Y886 HydrophobicContact CE3-CE1 3.63Å; W705-Y886 AromaticContact CE3-CE2 3.8Å; W705-Y886 HydrophobicContact CE3-CE2 3.8Å; W705-Y886 HydrophobicContact CE3-CG 4.01Å; W705-Y886 AromaticContact CE3-CZ 3.59Å; W705-Y886 AromaticContact CZ3-CD2 3.93Å; W705-Y886 HydrophobicContact CZ3-CD2 3.93Å; W705-Y886 HydrophobicContact CZ3-CE1 4.33Å; W705-Y886 AromaticContact CZ3-CE2 3.65Å; W705-Y886 HydrophobicContact CZ3-CE2 3.65Å; W705-Y886 HydrophobicContact CZ3-CG 4.38Å; W705-Y886 AromaticContact CZ3-CZ 3.85Å
706	V	91.8	Very high	79.7	Confident	12 Å²	12	61.2 Å²	61.2	7%	0.073	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.9	175.3	-177.6	0	0	0	0	108.3	R704 C718 G884 Y885 Q887	R704-V706 HydrophobicContact CG-CG2 4.43Å; V706-C718 HydrophobicContact CG1-CB 3.99Å; V706-G884 CarbonylContact O-C 3.54Å; V706-G884 WeakPolarHBondContact O-CA 3.45Å; V706-Y885 HydrophobicContact CB-CD1 4.31Å; V706-Y885 HydrophobicContact CB-CD2 4.38Å; V706-Y885 HydrophobicContact CB-CE1 3.91Å; V706-Y885 HydrophobicContact CB-CE2 3.99Å; V706-Y885 HydrophobicContact CG1-CE1 3.83Å; V706-Y885 HydrophobicContact CG2-CE2 3.95Å; V706-Y885 PolarHBondContact N-O 3.09Å; V706-Y885 PolarHBondContact O-N 3.22Å; V706-Q887 HydrophobicContact CG2-CB 3.96Å
707	N	90	Very high	79.7	Confident	83 Å²	83	60.1 Å²	60.1	44%	0.444	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	134	175.7	-67.9	-70.3	0	0	0	110.2	W705 A719	W705-N707 PolarHBondContact NE1-OD1 3.14Å; N707-A719 HydrophobicContact CB-CB 4.45Å; N707-A719 PolarHBondContact O-N 3.3Å
708	L	87.4	Confident	79.1	Confident	18 Å²	18	57 Å²	57	9%	0.094	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	139.4	175.5	-74.2	176.6	0	0	0	110.2	V716 Y717 V844 F872 S883 Y885	L708-V716 HydrophobicContact CB-CG1 3.47Å; L708-V716 VanDerWaalsContact CB-CG1 3.47Å; L708-V716 HydrophobicContact CD1-CG1 3.73Å; L708-V716 HydrophobicContact CD2-CG1 4.06Å; L708-V716 HydrophobicContact CG-CG1 3.93Å; L708-Y717 CarbonylContact C-O 3.58Å; L708-Y717 WeakPolarHBondContact CA-O 3.13Å; L708-V844 HydrophobicContact CD1-CG1 3.81Å; L708-V844 HydrophobicContact CD1-CG2 4.43Å; L708-V844 HydrophobicContact CD2-CG1 3.76Å; L708-V844 HydrophobicContact CG-CG1 4.46Å; L708-F872 HydrophobicContact CD1-CE1 4.31Å; L708-S883 PolarHBondContact N-O 3.41Å; L708-Y885 HydrophobicContact CD1-CD1 4Å; L708-Y885 HydrophobicContact CD2-CD1 4.12Å; L708-Y885 HydrophobicContact CD2-CE1 3.87Å; L708-Y885 HydrophobicContact CG-CD1 4.05Å; L708-Y885 HydrophobicContact CG-CE1 4.29Å
709	K	80.7	Confident	77.5	Confident	105 Å²	105	57.1 Å²	57.1	46%	0.457	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.8	173.8	-74.2	176	177.1	174.7	0	109.2	V716 Y717 A719	K709-V716 CarbonylContact O-C 3.58Å; K709-V716 WeakPolarHBondContact O-CA 3.44Å; K709-Y717 HydrophobicContact CB-CD1 4.48Å; K709-Y717 HydrophobicContact CB-CD2 4.48Å; K709-Y717 HydrophobicContact CB-CE1 3.95Å; K709-Y717 HydrophobicContact CB-CE2 3.96Å; K709-Y717 HydrophobicContact CD-CE2 4.22Å; K709-Y717 PolarHBondContact N-O 3.07Å; K709-Y717 WeakPolarHBondContact O-CD1 3.36Å; K709-Y717 PolarHBondContact O-N 3.41Å; K709-A719 HydrophobicContact CD-CB 3.79Å; K709-A719 VanDerWaalsContact CE-CB 3.49Å; K709-A719 HydrophobicContact CG-CB 4.03Å
710	L	75.4	Confident	75.4	Confident	128 Å²	128	60.3 Å²	60.3	67%	0.67	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.5	172.9	-163.4	74.7	0	0	0	108.5	V716	L710-V716 HydrophobicContact CD1-CG2 3.52Å
711	S	70.3	Confident	72.9	Confident	27 Å²	27	67.1 Å²	67.1	19%	0.189	36%	0.357	C	S	.	.			trans	-89	165.2	168.1	35.5	0	0	0	0	111.4	D713 G714 S715	S711-D713 VanDerWaalsContact CB-OD1 3.24Å; S711-D713 WeakPolarHBondContact CB-OD1 3.32Å; S711-D713 PolarHBondContact O-N 3.14Å; S711-D713 PolarHBondContact OG-OD1 3.45Å; S711-G714 PolarHBondContact O-N 3.43Å; S711-S715 PolarHBondContact N-O 3.4Å; S711-S715 PolarHBondContact OG-O 3.04Å; S711-S715 PolarHBondContact OG-OG 3.24Å
712	D	61.5	Low	69.9	Low	184 Å²	184	70 Å²	70	98%	0.984	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.7	-179.7	-63.2	-21.6	0	0	0	113.3	G714	D712-G714 VanDerWaalsContact C-N 3.28Å; D712-G714 PolarHBondContact O-N 3.01Å
713	D	60	Low	66.9	Low	123 Å²	123	74.2 Å²	74.2	66%	0.658	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	1.2	176.9	69.4	-11.1	0	0	0	113.9	S711 S715	S711-D713 VanDerWaalsContact CB-OD1 3.24Å; S711-D713 WeakPolarHBondContact CB-OD1 3.32Å; S711-D713 PolarHBondContact O-N 3.14Å; S711-D713 PolarHBondContact OG-OD1 3.45Å; D713-S715 VanDerWaalsContact C-N 3.27Å; D713-S715 VanDerWaalsContact CG-OG 3.28Å; D713-S715 PolarHBondContact O-N 3.25Å; D713-S715 WeakPolarHBondContact OD1-CB 3.25Å; D713-S715 PolarHBondContact OD1-N 2.88Å; D713-S715 PolarHBondContact OD1-OG 3.09Å; D713-S715 PolarHBondContact OD2-OG 3.43Å; D713-S715 VanDerWaalsContact OD2-OG 3.1Å
714	G	61.5	Low	63.9	Low	47 Å²	47	79.4 Å²	79.4	49%	0.485	45%	0.45	S	S	.	.	S	Bend	trans	81.4	-2	-176.7	0	0	0	0	0	114.6	S711 D712	S711-G714 PolarHBondContact O-N 3.43Å; D712-G714 VanDerWaalsContact C-N 3.28Å; D712-G714 PolarHBondContact O-N 3.01Å
715	S	58.9	Low	60.6	Low	31 Å²	31	82.7 Å²	82.7	22%	0.217	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	152.8	172.1	74	0	0	0	0	111.3	S711 D713	S711-S715 PolarHBondContact N-O 3.4Å; S711-S715 PolarHBondContact OG-O 3.04Å; S711-S715 PolarHBondContact OG-OG 3.24Å; D713-S715 VanDerWaalsContact C-N 3.27Å; D713-S715 VanDerWaalsContact CG-OG 3.28Å; D713-S715 PolarHBondContact O-N 3.25Å; D713-S715 WeakPolarHBondContact OD1-CB 3.25Å; D713-S715 PolarHBondContact OD1-N 2.88Å; D713-S715 PolarHBondContact OD1-OG 3.09Å; D713-S715 PolarHBondContact OD2-OG 3.43Å; D713-S715 VanDerWaalsContact OD2-OG 3.1Å
716	V	67.9	Low	57.5	Low	10 Å²	10	89.7 Å²	89.7	6%	0.061	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.1	-176.4	-178.2	0	0	0	0	107.7	L708 K709 L710 V842 T843 V844 Q845	L708-V716 HydrophobicContact CB-CG1 3.47Å; L708-V716 VanDerWaalsContact CB-CG1 3.47Å; L708-V716 HydrophobicContact CD1-CG1 3.73Å; L708-V716 HydrophobicContact CD2-CG1 4.06Å; L708-V716 HydrophobicContact CG-CG1 3.93Å; K709-V716 CarbonylContact O-C 3.58Å; K709-V716 WeakPolarHBondContact O-CA 3.44Å; L710-V716 HydrophobicContact CD1-CG2 3.52Å; V716-V842 HydrophobicContact CG2-CG1 3.91Å; V716-T843 WeakPolarHBondContact CA-O 3.41Å; V716-T843 WeakPolarHBondContact CB-O 3.38Å; V716-T843 PolarHBondContact N-O 3.38Å; V716-V844 HydrophobicContact CB-CG2 4.37Å; V716-V844 CarbonylContact O-C 3.52Å; V716-V844 VanDerWaalsContact O-CA 3.23Å; V716-V844 WeakPolarHBondContact O-CA 3.35Å; V716-Q845 PolarHBondContact O-N 2.92Å
717	Y	69.1	Low	54.1	Low	96 Å²	96	98.8 Å²	98.8	38%	0.376	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	158	-174.4	65	-84.7	0	0	0	112.1	L708 K709 A719	L708-Y717 CarbonylContact C-O 3.58Å; L708-Y717 WeakPolarHBondContact CA-O 3.13Å; K709-Y717 HydrophobicContact CB-CD1 4.48Å; K709-Y717 HydrophobicContact CB-CD2 4.48Å; K709-Y717 HydrophobicContact CB-CE1 3.95Å; K709-Y717 HydrophobicContact CB-CE2 3.96Å; K709-Y717 HydrophobicContact CD-CE2 4.22Å; K709-Y717 PolarHBondContact N-O 3.07Å; K709-Y717 WeakPolarHBondContact O-CD1 3.36Å; K709-Y717 PolarHBondContact O-N 3.41Å; Y717-A719 PolarHBondContact O-N 2.9Å
718	C	66.2	Low	51.2	Low	24 Å²	24	100.7 Å²	100.7	16%	0.162	56%	0.555	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.2	130.8	177.8	-61.6	0	0	0	0	111	V706 I720 Q845 Y885	V706-C718 HydrophobicContact CG1-CB 3.99Å; C718-I720 PolarHBondContact O-N 3.48Å; C718-Q845 PolarHBondContact SG-O 3.38Å; C718-Y885 PolarHBondContact SG-OH 3.24Å
719	A	49.6	Very low	48.3	Very low	22 Å²	22	108.3 Å²	108.3	18%	0.182	59%	0.59	C	S	.	*			trans	-64.8	107.6	166.5	0	0	0	0	0	108.4	N707 K709 Y717 D721	N707-A719 HydrophobicContact CB-CB 4.45Å; N707-A719 PolarHBondContact O-N 3.3Å; K709-A719 HydrophobicContact CD-CB 3.79Å; K709-A719 VanDerWaalsContact CE-CB 3.49Å; K709-A719 HydrophobicContact CG-CB 4.03Å; Y717-A719 PolarHBondContact O-N 2.9Å; A719-D721 PolarHBondContact O-N 3.38Å; A719-D721 VanDerWaalsContact O-N 3.1Å
720	I	43.9	Very low	45.5	Very low	153 Å²	153	110.9 Å²	110.9	79%	0.785	61%	0.609	S	S	*	*			trans	-61.1	117.4	165.7	-58.5	173.9	0	0	0	105.8	C718 G722	C718-I720 PolarHBondContact O-N 3.48Å; I720-G722 PolarHBondContact O-N 2.85Å
721	D	36.3	Very low	43.3	Very low	153 Å²	153	110.1 Å²	110.1	82%	0.818	61%	0.614	S	S	*	*			trans	-61.1	93.8	169.1	-89.5	-27.8	0	0	0	107.3	A719 S723	A719-D721 PolarHBondContact O-N 3.38Å; A719-D721 VanDerWaalsContact O-N 3.1Å; D721-S723 PolarHBondContact O-N 3.15Å
722	G	28.6	Very low	41.2	Very low	65 Å²	65	116.2 Å²	116.2	67%	0.67	64%	0.644	S	S	*	*			trans	-61.5	108.1	171	0	0	0	0	0	108	I720	I720-G722 PolarHBondContact O-N 2.85Å
723	S	28.4	Very low	39.6	Very low	106 Å²	106	115.4 Å²	115.4	74%	0.741	64%	0.639	S	S	*	*			trans	-49.1	132.6	154.7	60.7	0	0	0	0	107.8	D721 E725	D721-S723 PolarHBondContact O-N 3.15Å; S723-E725 PolarHBondContact O-N 3.35Å
724	P	29.7	Very low	38.1	Very low	117 Å²	117	115 Å²	115	76%	0.76	64%	0.644	S	S	*	*			trans	-64.7	133.5	-160.4	24.5	-32.5	0	0	0	110.7	K726	P724-K726 PolarHBondContact O-N 3.15Å
725	E	23.7	Very low	36.5	Very low	188 Å²	188	118.2 Å²	118.2	88%	0.879	67%	0.665	S	S	*	*			trans	-37.9	94	178	-66	178.1	158	0	0	112.6	S723 K727	S723-E725 PolarHBondContact O-N 3.35Å; E725-K727 PolarHBondContact O-N 3.06Å
726	K	25.7	Very low	35	Very low	191 Å²	191	124.4 Å²	124.4	83%	0.83	70%	0.696	S	S	*	*			trans	-81.8	98.8	160.5	-83.7	-174.2	177.8	176.8	0	107.3	P724 V728	P724-K726 PolarHBondContact O-N 3.15Å; K726-V728 HydrophobicContact CB-CG2 4.3Å; K726-V728 PolarHBondContact O-N 3.42Å
727	K	22	Very low	33	Very low	203 Å²	203	126.9 Å²	126.9	88%	0.883	72%	0.724	S	S	*	*			trans	-52	102.8	154.9	-75.1	179.7	175.9	178.6	0	107.9	E725	E725-K727 PolarHBondContact O-N 3.06Å
728	V	28.9	Very low	31	Very low	123 Å²	123	128.8 Å²	128.8	75%	0.745	75%	0.745	S	S	*	*			trans	-132.1	120.8	164.5	-178.5	0	0	0	0	107.2	K726	K726-V728 HydrophobicContact CB-CG2 4.3Å; K726-V728 PolarHBondContact O-N 3.42Å
729	E	25.1	Very low	29	Very low	178 Å²	178	133.3 Å²	133.3	83%	0.832	78%	0.775	S	S	*	*			trans	-63.5	151	180	-64.9	170.5	143.7	0	0	111.8	S731	E729-S731 PolarHBondContact O-N 2.74Å
730	D	23.5	Very low	27.7	Very low	160 Å²	160	143.7 Å²	143.7	86%	0.856	81%	0.809	S	S	*	*			trans	-18.4	117.4	164.3	-110.2	-21.6	0	0	0	115.1
731	S	28.9	Very low	27	Very low	112 Å²	112	141.7 Å²	141.7	78%	0.783	80%	0.804	S	S	*	*			trans	-162.3	114	147.9	16.3	0	0	0	0	110.9	E729 L733	E729-S731 PolarHBondContact O-N 2.74Å; S731-L733 PolarHBondContact O-N 3.01Å
732	D	25.4	Very low	26.5	Very low	155 Å²	155	142.5 Å²	142.5	83%	0.829	80%	0.802	S	S	*	*			trans	-50.4	116.3	174.4	-69.3	-53.9	0	0	0	113.6
733	L	28.7	Very low	26.5	Very low	167 Å²	167	141.8 Å²	141.8	87%	0.874	79%	0.787	S	S	*	*			trans	-147	145.6	151	-77.8	-177.1	0	0	0	110.8	S731	S731-L733 PolarHBondContact O-N 3.01Å
734	P	28.4	Very low	26.7	Very low	115 Å²	115	140 Å²	140	75%	0.747	78%	0.775	S	S	*	*			trans	-82.9	143.2	-155.5	32.4	-33.8	0	0	0	113.4	D736	P734-D736 PolarHBondContact O-N 3.18Å
735	A	28.5	Very low	26.9	Very low	113 Å²	113	140.7 Å²	140.7	93%	0.934	77%	0.768	S	S	*	*			trans	-62.5	111.6	176.5	0	0	0	0	0	111.7
736	D	27	Very low	27.3	Very low	161 Å²	161	139.4 Å²	139.4	86%	0.861	76%	0.759	S	S	*	*			trans	-115	122.5	163.4	-168.1	19.3	0	0	0	109.3	P734	P734-D736 PolarHBondContact O-N 3.18Å
737	G	26.3	Very low	27.7	Very low	63 Å²	63	131.9 Å²	131.9	65%	0.649	73%	0.733	S	S	*	*			trans	61	75.1	144.5	0	0	0	0	0	120.1
738	T	25.8	Very low	28.2	Very low	136 Å²	136	123.3 Å²	123.3	83%	0.834	70%	0.699	S	S	*	*			trans	-120.9	114	141.2	47.2	0	0	0	0	108.8	R740	T738-R740 PolarHBondContact O-N 2.75Å
739	P	24.6	Very low	28.4	Very low	119 Å²	119	123.7 Å²	123.7	77%	0.773	69%	0.692	S	S	*	*			trans	-69.7	123.3	-176.8	27.3	-30.7	0	0	0	109.7	V741	P739-V741 PolarHBondContact O-N 3.36Å; P739-V741 VanDerWaalsContact O-N 3.14Å
740	R	22.8	Very low	28.9	Very low	239 Å²	239	118 Å²	118	90%	0.902	67%	0.667	S	S	*	*			trans	-63.9	108.4	167.3	-176.2	176.2	178.1	172.6	-2.3	107.2	T738 E742	T738-R740 PolarHBondContact O-N 2.75Å; R740-E742 PolarHBondContact O-N 3.39Å; R740-E742 VanDerWaalsContact O-N 3.08Å
741	V	28.3	Very low	29.6	Very low	112 Å²	112	113.5 Å²	113.5	68%	0.679	64%	0.642	S	S	*	*			trans	-70.2	101.8	-177.2	175.5	0	0	0	0	109.5	P739 S743	P739-V741 PolarHBondContact O-N 3.36Å; P739-V741 VanDerWaalsContact O-N 3.14Å; V741-S743 VanDerWaalsContact C-N 3.25Å; V741-S743 WeakPolarHBondContact CG1-OG 3.16Å; V741-S743 PolarHBondContact O-N 3.47Å
742	E	25.7	Very low	29.6	Very low	169 Å²	169	112.5 Å²	112.5	79%	0.79	63%	0.631	S	S	*	*			trans	-70.7	78.7	164.7	-70.6	172.2	172	0	0	108.9	R740	R740-E742 PolarHBondContact O-N 3.39Å; R740-E742 VanDerWaalsContact O-N 3.08Å
743	S	29.2	Very low	29.5	Very low	50 Å²	50	110.4 Å²	110.4	35%	0.35	63%	0.629	S	S	.	*			trans	-118.6	-2.6	173.4	-70	0	0	0	0	114.3	V741 E745	V741-S743 VanDerWaalsContact C-N 3.25Å; V741-S743 WeakPolarHBondContact CG1-OG 3.16Å; V741-S743 PolarHBondContact O-N 3.47Å; S743-E745 PolarHBondContact O-N 2.76Å
744	S	32.6	Very low	29.4	Very low	70 Å²	70	105.6 Å²	105.6	49%	0.49	61%	0.609	S	S	.	*	H	α-helix	trans	-67.5	-21.8	172.6	176.4	0	0	0	0	113.4	S748	S744-S748 PolarHBondContact O-OG 3.19Å
745	E	34.2	Very low	29.2	Very low	130 Å²	130	109.3 Å²	109.3	61%	0.607	61%	0.614	S	S	*	*	H	α-helix	trans	-78.8	-39.1	-174.4	-70.5	-171.6	153.3	0	0	113	S743 A747 S748 E749	S743-E745 PolarHBondContact O-N 2.76Å; E745-A747 VanDerWaalsContact C-N 3.27Å; E745-A747 PolarHBondContact O-N 3.07Å; E745-S748 CarbonylContact O-C 3.47Å; E745-S748 WeakPolarHBondContact O-CA 3.45Å; E745-S748 PolarHBondContact O-N 3.24Å; E745-E749 PolarHBondContact O-N 2.93Å
746	K	32.2	Very low	29	Very low	161 Å²	161	108.9 Å²	108.9	70%	0.7	60%	0.604	S	S	*	*	H	α-helix	trans	-67.7	-22	-175.8	-76.6	-174.6	177.1	177.6	0	114.4
747	A	33.1	Very low	29	Very low	34 Å²	34	109.1 Å²	109.1	28%	0.281	61%	0.605	S	S	.	*	H	α-helix	trans	-76.1	-27	170	0	0	0	0	0	112.2	E745 R954	E745-A747 VanDerWaalsContact C-N 3.27Å; E745-A747 PolarHBondContact O-N 3.07Å; A747-R954 PolarHBondContact O-NH1 3.13Å; A747-R954 PolarHBondContact O-NH2 3.46Å
748	S	34.1	Very low	28.9	Very low	22 Å²	22	114.7 Å²	114.7	15%	0.154	62%	0.615	C	S	.	*	H	α-helix	trans	-102.9	1.6	-167.3	-56	0	0	0	0	115.3	S744 E745 I750 L751	S744-S748 PolarHBondContact O-OG 3.19Å; E745-S748 CarbonylContact O-C 3.47Å; E745-S748 WeakPolarHBondContact O-CA 3.45Å; E745-S748 PolarHBondContact O-N 3.24Å; S748-I750 PolarHBondContact O-N 2.82Å; S748-L751 PolarHBondContact O-N 2.87Å
749	E	32.3	Very low	29	Very low	132 Å²	132	115.6 Å²	115.6	62%	0.617	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	15.1	-178.3	-75.3	-176.5	-176.4	0	0	117.1	E745	E745-E749 PolarHBondContact O-N 2.93Å
750	I	36	Very low	29	Very low	58 Å²	58	113.9 Å²	113.9	30%	0.297	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.1	-2.9	164.2	-66.8	179.1	0	0	0	112.2	S748 L955	S748-I750 PolarHBondContact O-N 2.82Å; I750-L955 HydrophobicContact CD1-CD2 3.91Å
751	L	37.7	Very low	29.1	Very low	65 Å²	65	109.2 Å²	109.2	34%	0.34	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.6	-14.3	-174.9	-67.1	167.2	0	0	0	114.5	W553 L661 S748	W553-L751 HydrophobicContact CE3-CD1 4.12Å; W553-L751 HydrophobicContact CE3-CD2 3.76Å; W553-L751 HydrophobicContact CE3-CG 4.43Å; W553-L751 HydrophobicContact CH2-CB 4.15Å; W553-L751 HydrophobicContact CH2-CD2 3.72Å; W553-L751 HydrophobicContact CH2-CG 4.28Å; W553-L751 HydrophobicContact CZ3-CB 3.87Å; W553-L751 HydrophobicContact CZ3-CD1 3.5Å; W553-L751 VanDerWaalsContact CZ3-CD1 3.5Å; W553-L751 HydrophobicContact CZ3-CD2 3.06Å; W553-L751 HydrophobicContact CZ3-CG 3.56Å; L661-L751 HydrophobicContact CD2-CD1 4.04Å; S748-L751 PolarHBondContact O-N 2.87Å
752	V	27.7	Very low	28.8	Very low	91 Å²	91	108.9 Å²	108.9	55%	0.552	62%	0.619	S	S	*	*			trans	-134	75.3	177.5	-168.4	0	0	0	0	109.9
753	S	25.1	Very low	29	Very low	112 Å²	112	106.8 Å²	106.8	78%	0.783	62%	0.617	S	S	*	*			trans	-111.5	62.2	158.3	67.1	0	0	0	0	108.2
754	S	26.8	Very low	28.8	Very low	65 Å²	65	108.4 Å²	108.4	46%	0.455	63%	0.633	S	S	.	*	S	Bend	trans	-170.5	133.9	164.5	4.1	0	0	0	0	106.9
755	F	24	Very low	28.3	Very low	193 Å²	193	116.5 Å²	116.5	85%	0.846	65%	0.653	S	S	*	*			trans	84.1	78.1	175.3	-41.2	-66.5	0	0	0	116.9
756	S	23.5	Very low	27.8	Very low	104 Å²	104	119.4 Å²	119.4	73%	0.727	66%	0.664	S	S	*	*			trans	-137.5	100.6	138.7	-66.3	0	0	0	0	106.3
757	D	26	Very low	27.3	Very low	166 Å²	166	120.4 Å²	120.4	89%	0.888	67%	0.671	S	S	*	*			trans	-168	153.5	139.2	-89.2	-24.6	0	0	0	110.3
758	E	24.6	Very low	26.8	Very low	180 Å²	180	126 Å²	126	84%	0.841	70%	0.696	S	S	*	*			trans	-55	142	-160.2	-55.2	-170.7	123.3	0	0	117
759	D	28.8	Very low	26.4	Very low	156 Å²	156	130.9 Å²	130.9	83%	0.834	73%	0.725	S	S	*	*				-151	108.3	127.5	-102.9	-32	0	0	0	109.5	I761	D759-I761 PolarHBondContact O-N 2.75Å
760	G	23.9	Very low	26	Very low	83 Å²	83	129.3 Å²	129.3	86%	0.856	73%	0.729	S	S	*	*			trans	-69.3	89.5	172.8	0	0	0	0	0	110.7	A762	G760-A762 PolarHBondContact O-N 2.59Å
761	I	24.6	Very low	25.5	Very low	140 Å²	140	133 Å²	133	72%	0.718	75%	0.754	S	S	*	*			trans	-88.5	97.8	159.9	-52	-177.1	0	0	0	107.5	D759 V763	D759-I761 PolarHBondContact O-N 2.75Å; I761-V763 VanDerWaalsContact C-N 3.27Å; I761-V763 HydrophobicContact CB-CG2 4.37Å; I761-V763 HydrophobicContact CG2-CG2 3.48Å; I761-V763 VanDerWaalsContact CG2-CG2 3.48Å; I761-V763 PolarHBondContact O-N 2.65Å
762	A	22.6	Very low	24.9	Very low	105 Å²	105	135 Å²	135	87%	0.868	77%	0.773	S	S	*	*			trans	-60.6	88.3	163.9	0	0	0	0	0	109.6	G760	G760-A762 PolarHBondContact O-N 2.59Å
763	V	30	Very low	24.7	Very low	126 Å²	126	133.1 Å²	133.1	76%	0.764	77%	0.772	S	S	*	*			trans	-93.6	119.9	168.1	-173.4	0	0	0	0	109	I761	I761-V763 VanDerWaalsContact C-N 3.27Å; I761-V763 HydrophobicContact CB-CG2 4.37Å; I761-V763 HydrophobicContact CG2-CG2 3.48Å; I761-V763 VanDerWaalsContact CG2-CG2 3.48Å; I761-V763 PolarHBondContact O-N 2.65Å
764	A	24.8	Very low	24.7	Very low	83 Å²	83	132.9 Å²	132.9	69%	0.686	78%	0.777	S	S	*	*			trans	-62	145.2	-172.8	0	0	0	0	0	113.8
765	R	21.7	Very low	24.5	Very low	240 Å²	240	138.3 Å²	138.3	91%	0.906	80%	0.795	S	S	*	*	S	Bend	trans	34.5	114.3	138.4	-69.8	180	171.5	144.2	-1.2	117.9
766	K	23.2	Very low	24.4	Very low	191 Å²	191	134.9 Å²	134.9	83%	0.83	79%	0.794	S	S	*	*			trans	37.1	90.5	135.8	-69.5	-173	174.8	-171.3	0	115.5
767	Q	23.4	Very low	24.6	Very low	183 Å²	183	135.2 Å²	135.2	86%	0.855	79%	0.794	S	S	*	*			trans	-119.7	114	133.6	-99.5	178.7	-19.6	0	0	107.1	V769	Q767-V769 VanDerWaalsContact C-N 3.3Å; Q767-V769 PolarHBondContact O-N 3.36Å
768	D	22.4	Very low	24.7	Very low	151 Å²	151	131.5 Å²	131.5	81%	0.807	80%	0.795	S	S	*	*			trans	-58	93.7	169.1	-61.5	-54.9	0	0	0	107.9	S770	D768-S770 VanDerWaalsContact C-N 3.27Å; D768-S770 PolarHBondContact O-N 3.27Å; D768-S770 VanDerWaalsContact O-N 3.16Å
769	V	25.8	Very low	25.1	Very low	124 Å²	124	127 Å²	127	75%	0.752	78%	0.783	S	S	*	*			trans	-81	92	161.7	-178.1	0	0	0	0	105	Q767 V771	Q767-V769 VanDerWaalsContact C-N 3.3Å; Q767-V769 PolarHBondContact O-N 3.36Å; V769-V771 PolarHBondContact O-N 2.99Å
770	S	23.7	Very low	25.3	Very low	100 Å²	100	126.7 Å²	126.7	70%	0.699	78%	0.78	S	S	*	*			trans	-48.2	108.8	163.2	50	0	0	0	0	108.2	D768 S772	D768-S770 VanDerWaalsContact C-N 3.27Å; D768-S770 PolarHBondContact O-N 3.27Å; D768-S770 VanDerWaalsContact O-N 3.16Å; S770-S772 PolarHBondContact O-N 2.82Å
771	V	25	Very low	26.1	Very low	136 Å²	136	128 Å²	128	82%	0.824	77%	0.767	S	S	*	*			trans	-64.2	91.8	161.5	178.8	0	0	0	0	105	V769 G773	V769-V771 PolarHBondContact O-N 2.99Å; V771-G773 PolarHBondContact O-N 3.08Å
772	S	24.2	Very low	27.1	Very low	105 Å²	105	125.2 Å²	125.2	73%	0.734	77%	0.765	S	S	*	*			trans	-55.2	110.9	166.1	53.6	0	0	0	0	106.2	S770	S770-S772 PolarHBondContact O-N 2.82Å
773	G	24.2	Very low	28.8	Very low	52 Å²	52	126.2 Å²	126.2	54%	0.536	76%	0.756	S	S	.	*			trans	-50.8	152.6	-178.8	0	0	0	0	0	111.2	V771 Q775	V771-G773 PolarHBondContact O-N 3.08Å; G773-Q775 PolarHBondContact O-N 2.81Å
774	A	26.4	Very low	30.4	Very low	108 Å²	108	124.8 Å²	124.8	89%	0.893	74%	0.743	S	S	*	*			trans	-54.1	86.8	168.6	0	0	0	0	0	109.7	C776	A774-C776 PolarHBondContact O-N 3.31Å
775	Q	20.9	Very low	32.4	Very low	179 Å²	179	125.2 Å²	125.2	84%	0.836	73%	0.731	S	S	*	*			trans	-84.5	110.4	168.9	-80.7	-178.1	-11.6	0	0	107	G773 P777	G773-Q775 PolarHBondContact O-N 2.81Å; Q775-P777 WeakPolarHBondContact O-CD 3.5Å
776	C	23.4	Very low	34.7	Very low	120 Å²	120	116.3 Å²	116.3	81%	0.811	71%	0.709	S	S	*	*			trans	-61.2	116.3	164.2	-62.4	0	0	0	0	109	A774 G778	A774-C776 PolarHBondContact O-N 3.31Å; C776-G778 PolarHBondContact O-N 2.83Å
777	P	27	Very low	36.9	Very low	112 Å²	112	109.5 Å²	109.5	73%	0.727	68%	0.679	S	S	*	*			trans	-82.3	114.3	168	-0.8	21.2	0	0	0	107.8	Q775 S779	Q775-P777 WeakPolarHBondContact O-CD 3.5Å; P777-S779 VanDerWaalsContact C-N 3.29Å; P777-S779 PolarHBondContact O-N 3.44Å
778	G	27.6	Very low	39	Very low	88 Å²	88	103.9 Å²	103.9	91%	0.907	65%	0.649	S	S	*	*			trans	-68.7	87	165.8	0	0	0	0	0	110.4	C776	C776-G778 PolarHBondContact O-N 2.83Å
779	S	32.5	Very low	41.3	Very low	86 Å²	86	103.4 Å²	103.4	60%	0.601	64%	0.636	S	S	*	*	S	Bend	trans	-157.5	117.3	155.4	55.3	0	0	0	0	106.3	P777 D781	P777-S779 VanDerWaalsContact C-N 3.29Å; P777-S779 PolarHBondContact O-N 3.44Å; S779-D781 VanDerWaalsContact C-N 3.33Å; S779-D781 PolarHBondContact O-N 2.75Å
780	I	34.8	Very low	43.5	Very low	149 Å²	149	104.2 Å²	104.2	76%	0.764	63%	0.626	S	S	*	*			trans	-61.8	97	-179.9	-59.2	166.8	0	0	0	107
781	D	39.7	Very low	45.9	Very low	111 Å²	111	99.7 Å²	99.7	59%	0.594	59%	0.594	S	S	*	*			trans	-69.5	139.8	175.2	-131.6	-18.6	0	0	0	107.4	S779 N783 D784	S779-D781 VanDerWaalsContact C-N 3.33Å; S779-D781 PolarHBondContact O-N 2.75Å; D781-N783 PolarHBondContact O-N 2.87Å; D781-D784 WeakPolarHBondContact O-CB 3.35Å; D781-D784 PolarHBondContact O-N 2.91Å
782	A	46.6	Very low	48.2	Very low	80 Å²	80	94.4 Å²	94.4	66%	0.661	56%	0.561	S	S	*	*	H	α-helix	trans	-56.3	-22.1	179.4	0	0	0	0	0	112.5	A786	A782-A786 PolarHBondContact O-N 3.47Å
783	N	58.3	Low	50.6	Low	127 Å²	127	93.6 Å²	93.6	68%	0.679	55%	0.552	S	S	*	*	H	α-helix	trans	-67.7	-35.6	174.7	-156.1	19.9	0	0	0	113.1	D781 A786 Y787	D781-N783 PolarHBondContact O-N 2.87Å; N783-A786 PolarHBondContact O-N 2.89Å; N783-Y787 WeakPolarHBondContact O-CB 3.4Å; N783-Y787 PolarHBondContact O-N 2.96Å
784	D	63.6	Low	52.9	Low	95 Å²	95	92.4 Å²	92.4	51%	0.508	53%	0.532	S	S	.	.	H	α-helix	trans	-68.8	-38.2	178	-100.8	0.2	0	0	0	111.3	D781 Y787 R788	D781-D784 WeakPolarHBondContact O-CB 3.35Å; D781-D784 PolarHBondContact O-N 2.91Å; D784-Y787 WeakPolarHBondContact O-CB 3.29Å; D784-Y787 PolarHBondContact O-N 2.65Å; D784-R788 WeakPolarHBondContact O-CB 3.23Å; D784-R788 VanDerWaalsContact O-CG 3.25Å; D784-R788 WeakPolarHBondContact O-CG 3.34Å; D784-R788 PolarHBondContact O-N 2.85Å
785	E	66.4	Low	55.1	Low	92 Å²	92	87.4 Å²	87.4	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-70.3	-36.7	179.3	-146	-166.4	-178.7	0	0	111.8	R788 R789	E785-R788 PolarHBondContact O-N 3.2Å; E785-R789 VanDerWaalsContact CD-CZ 3.47Å; E785-R789 VanDerWaalsContact CG-NH1 3.31Å; E785-R789 WeakPolarHBondContact O-CG 3.46Å; E785-R789 PolarHBondContact O-N 3.39Å; E785-R789 IonicContact OE1-CZ 3.72Å; E785-R789 IonicContact OE1-NH1 3.5Å; E785-R789 IonicContact OE1-NH2 2.65Å; E785-R789 PolarHBondContact OE1-NH2 2.98Å; E785-R789 IonicContact OE2-CZ 2.62Å; E785-R789 IonicContact OE2-NH1 3.78Å; E785-R789 PolarHBondContact OE2-NH1 3.16Å; E785-R789 IonicContact OE2-NH2 3.97Å; E785-R789 PolarHBondContact OE2-NH2 3.41Å; E785-R789 VanDerWaalsContact OE2-NH2 3.15Å
786	A	69	Low	57.2	Low	53 Å²	53	79.7 Å²	79.7	44%	0.438	46%	0.456	S	S	.	.	H	α-helix	trans	-63.7	-44.2	171.9	0	0	0	0	0	111.7	A782 N783 R789 R790	A782-A786 PolarHBondContact O-N 3.47Å; N783-A786 PolarHBondContact O-N 2.89Å; A786-R789 PolarHBondContact O-N 2.7Å; A786-R790 PolarHBondContact O-N 3.38Å
787	Y	69.5	Low	59.1	Low	49 Å²	49	78 Å²	78	19%	0.192	44%	0.436	C	S	.	.	H	α-helix	trans	-57.9	-48.9	173.4	172.9	-108.3	0	0	0	111.8	D651 N783 D784 R789 R790 L791 R838	D651-Y787 WeakPolarHBondContact OD2-CE2 3.37Å; D651-Y787 PolarHBondContact OD2-OH 2.97Å; N783-Y787 WeakPolarHBondContact O-CB 3.4Å; N783-Y787 PolarHBondContact O-N 2.96Å; D784-Y787 WeakPolarHBondContact O-CB 3.29Å; D784-Y787 PolarHBondContact O-N 2.65Å; Y787-R789 PolarHBondContact O-N 2.82Å; Y787-R790 PolarHBondContact O-N 2.8Å; Y787-L791 HydrophobicContact CD1-CD1 4.1Å; Y787-L791 HydrophobicContact CD1-CG 4.49Å; Y787-L791 HydrophobicContact CD2-CG 4.46Å; Y787-L791 HydrophobicContact CE1-CD1 3.44Å; Y787-L791 VanDerWaalsContact CE1-CD1 3.44Å; Y787-L791 HydrophobicContact CE1-CG 4.1Å; Y787-L791 HydrophobicContact CE2-CD1 4.2Å; Y787-L791 HydrophobicContact CE2-CD2 4.01Å; Y787-L791 HydrophobicContact CE2-CG 4.06Å; Y787-L791 WeakPolarHBondContact O-CG 3.48Å; Y787-L791 PolarHBondContact O-N 3.08Å; Y787-R838 WeakPolarHBondContact OH-CD 3.48Å; Y787-R838 WeakPolarHBondContact OH-CG 3.4Å
788	R	68.5	Low	60.6	Low	64 Å²	64	76 Å²	76	24%	0.242	42%	0.417	C	S	.	.	H	α-helix	trans	-58.3	-46	176.4	-71.8	177	75.1	87.7	9.3	112	D784 E785 R790 L791 L792 E836	D784-R788 WeakPolarHBondContact O-CB 3.23Å; D784-R788 VanDerWaalsContact O-CG 3.25Å; D784-R788 WeakPolarHBondContact O-CG 3.34Å; D784-R788 PolarHBondContact O-N 2.85Å; E785-R788 PolarHBondContact O-N 3.2Å; R788-R790 VanDerWaalsContact C-N 3.32Å; R788-R790 PolarHBondContact O-N 2.91Å; R788-L791 PolarHBondContact O-N 3.14Å; R788-L792 WeakPolarHBondContact O-CD1 3.28Å; R788-L792 PolarHBondContact O-N 3.41Å; R788-E836 IonicContact NH1-OE1 2.74Å
789	R	70.3	Confident	62.3	Low	141 Å²	141	72.5 Å²	72.5	53%	0.532	38%	0.377	S	S	.	.	H	α-helix	trans	-59.5	-41.3	176.8	-75.6	-178	-175.1	96.2	4.3	112	E785 A786 Y787 L792 T793	E785-R789 VanDerWaalsContact CD-CZ 3.47Å; E785-R789 VanDerWaalsContact CG-NH1 3.31Å; E785-R789 WeakPolarHBondContact O-CG 3.46Å; E785-R789 PolarHBondContact O-N 3.39Å; E785-R789 IonicContact OE1-CZ 3.72Å; E785-R789 IonicContact OE1-NH1 3.5Å; E785-R789 IonicContact OE1-NH2 2.65Å; E785-R789 PolarHBondContact OE1-NH2 2.98Å; E785-R789 IonicContact OE2-CZ 2.62Å; E785-R789 IonicContact OE2-NH1 3.78Å; E785-R789 PolarHBondContact OE2-NH1 3.16Å; E785-R789 IonicContact OE2-NH2 3.97Å; E785-R789 PolarHBondContact OE2-NH2 3.41Å; E785-R789 VanDerWaalsContact OE2-NH2 3.15Å; A786-R789 PolarHBondContact O-N 2.7Å; Y787-R789 PolarHBondContact O-N 2.82Å; R789-L792 PolarHBondContact O-N 2.89Å; R789-T793 PolarHBondContact O-N 3.4Å
790	R	72.3	Confident	63.7	Low	141 Å²	141	70.2 Å²	70.2	53%	0.532	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-43.9	175.2	179.8	-176.4	-111.4	-171.7	-2.5	112.2	A786 Y787 R788 L792 T793 H794	A786-R790 PolarHBondContact O-N 3.38Å; Y787-R790 PolarHBondContact O-N 2.8Å; R788-R790 VanDerWaalsContact C-N 3.32Å; R788-R790 PolarHBondContact O-N 2.91Å; R790-L792 VanDerWaalsContact C-N 3.3Å; R790-L792 PolarHBondContact O-N 2.85Å; R790-T793 PolarHBondContact O-N 3.19Å; R790-T793 PolarHBondContact O-OG1 3.44Å; R790-H794 PolarHBondContact O-CD2 3.47Å; R790-H794 VanDerWaalsContact O-CD2 3.24Å
791	L	74.4	Confident	64.7	Low	6 Å²	6	66.6 Å²	66.6	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-60.5	-44.3	176.6	-69	-175.1	0	0	0	111.6	I650 Y787 R788 T793 H794 W837	I650-L791 HydrophobicContact CG2-CD2 4.35Å; Y787-L791 HydrophobicContact CD1-CD1 4.1Å; Y787-L791 HydrophobicContact CD1-CG 4.49Å; Y787-L791 HydrophobicContact CD2-CG 4.46Å; Y787-L791 HydrophobicContact CE1-CD1 3.44Å; Y787-L791 VanDerWaalsContact CE1-CD1 3.44Å; Y787-L791 HydrophobicContact CE1-CG 4.1Å; Y787-L791 HydrophobicContact CE2-CD1 4.2Å; Y787-L791 HydrophobicContact CE2-CD2 4.01Å; Y787-L791 HydrophobicContact CE2-CG 4.06Å; Y787-L791 WeakPolarHBondContact O-CG 3.48Å; Y787-L791 PolarHBondContact O-N 3.08Å; R788-L791 PolarHBondContact O-N 3.14Å; L791-T793 VanDerWaalsContact C-N 3.26Å; L791-T793 PolarHBondContact O-N 2.91Å; L791-H794 PolarHBondContact O-N 3.24Å; L791-W837 HydrophobicContact CD2-CD2 3.9Å; L791-W837 HydrophobicContact CD2-CE3 3.39Å; L791-W837 HydrophobicContact CD2-CH2 3.79Å; L791-W837 HydrophobicContact CD2-CZ2 4.24Å; L791-W837 HydrophobicContact CD2-CZ3 3.34Å
792	L	72.1	Confident	65.4	Low	25 Å²	25	61.4 Å²	61.4	13%	0.131	31%	0.311	C	S	.	.	H	α-helix	trans	-57	-39.4	-179.7	-97.8	68.2	0	0	0	111.3	R788 R789 R790 H794 L795 K800 L803 Q804	R788-L792 WeakPolarHBondContact O-CD1 3.28Å; R788-L792 PolarHBondContact O-N 3.41Å; R789-L792 PolarHBondContact O-N 2.89Å; R790-L792 VanDerWaalsContact C-N 3.3Å; R790-L792 PolarHBondContact O-N 2.85Å; L792-H794 PolarHBondContact O-N 3.24Å; L792-L795 PolarHBondContact O-N 3.5Å; L792-L795 VanDerWaalsContact O-N 3.12Å; L792-K800 WeakPolarHBondContact O-CD 3.35Å; L792-K800 WeakPolarHBondContact O-CE 3.42Å; L792-K800 WeakPolarHBondContact O-CG 3.45Å; L792-L803 HydrophobicContact CD1-CB 4.07Å; L792-L803 HydrophobicContact CD1-CD1 4.06Å; L792-L803 HydrophobicContact CD2-CB 4.28Å; L792-L803 HydrophobicContact CG-CB 4.28Å; L792-Q804 HydrophobicContact CD2-CB 3.88Å; L792-Q804 HydrophobicContact CD2-CG 4.43Å
793	T	74.1	Confident	65.9	Low	88 Å²	88	57.9 Å²	57.9	54%	0.54	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-25.7	-176.6	52	0	0	0	0	114.5	R789 R790 L791 K800	R789-T793 PolarHBondContact O-N 3.4Å; R790-T793 PolarHBondContact O-N 3.19Å; R790-T793 PolarHBondContact O-OG1 3.44Å; L791-T793 VanDerWaalsContact C-N 3.26Å; L791-T793 PolarHBondContact O-N 2.91Å; T793-K800 VanDerWaalsContact C-CE 3.48Å; T793-K800 WeakPolarHBondContact O-CE 3.49Å; T793-K800 PolarHBondContact O-NZ 2.85Å
794	H	73	Confident	65.7	Low	26 Å²	26	58.9 Å²	58.9	12%	0.12	28%	0.282	C	S	.	.	H	α-helix	trans	-98.1	-7.3	-177.7	-58.9	-81.7	0	0	0	114.5	L625 I650 R790 L791 L792	L625-H794 HydrophobicContact CD2-CB 4.14Å; I650-H794 HydrophobicContact CD1-CB 3.75Å; R790-H794 PolarHBondContact O-CD2 3.47Å; R790-H794 VanDerWaalsContact O-CD2 3.24Å; L791-H794 PolarHBondContact O-N 3.24Å; L792-H794 PolarHBondContact O-N 3.24Å
795	L	73.4	Confident	65.2	Low	3 Å²	3	60.9 Å²	60.9	2%	0.016	29%	0.286	C	S	.	.	S	Bend	trans	-81	154.2	174.4	-69	166.8	0	0	0	110.9	L560 L625 L792 I799 K800 L803 V834 W837	L560-L795 HydrophobicContact CD1-CD2 4.12Å; L625-L795 HydrophobicContact CD1-CD2 4Å; L792-L795 PolarHBondContact O-N 3.5Å; L792-L795 VanDerWaalsContact O-N 3.12Å; L795-I799 HydrophobicContact CB-CB 4.43Å; L795-I799 HydrophobicContact CB-CG2 4.39Å; L795-I799 HydrophobicContact CD1-CG2 4.14Å; L795-K800 HydrophobicContact CB-CG 4.18Å; L795-K800 VanDerWaalsContact O-CD 3.22Å; L795-K800 WeakPolarHBondContact O-CD 3.35Å; L795-K800 WeakPolarHBondContact O-CE 3.39Å; L795-K800 PolarHBondContact O-NZ 3.28Å; L795-K800 VanDerWaalsContact O-NZ 3.1Å; L795-L803 HydrophobicContact CD1-CD1 3.39Å; L795-V834 VanDerWaalsContact CD1-O 3.26Å; L795-V834 WeakPolarHBondContact CD1-O 3.46Å; L795-W837 HydrophobicContact CD2-CZ2 4.39Å
796	P	64.8	Low	64.4	Low	17 Å²	17	60.1 Å²	60.1	11%	0.11	28%	0.281	C	S	.	.			trans	-57.3	149.2	170.1	-24.6	34	0	0	0	112.8	L560 H798 I799 K800	L560-P796 HydrophobicContact CD1-CG 3.9Å; P796-H798 VanDerWaalsContact C-N 3.29Å; P796-H798 WeakPolarHBondContact CB-CE1 3.48Å; P796-H798 WeakPolarHBondContact CB-ND1 3.41Å; P796-H798 PolarHBondContact O-N 3.32Å; P796-I799 HydrophobicContact CG-CD1 4.33Å; P796-I799 PolarHBondContact O-N 2.82Å; P796-K800 PolarHBondContact O-N 2.72Å
797	E	62.6	Low	63.5	Low	86 Å²	86	58.6 Å²	58.6	40%	0.402	27%	0.269	S	S	.	.	H	α-helix	trans	-54.4	-42.3	-176.4	-147.1	61.5	-158.9	0	0	113.5	I799 K800 D801 S1113	E797-I799 PolarHBondContact O-N 3.11Å; E797-I799 VanDerWaalsContact O-N 3.09Å; E797-K800 WeakPolarHBondContact O-CB 3.5Å; E797-K800 PolarHBondContact O-N 2.74Å; E797-K800 VanDerWaalsContact OE2-CD 3.24Å; E797-K800 WeakPolarHBondContact OE2-CD 3.33Å; E797-K800 IonicContact OE2-NZ 3.6Å; E797-K800 PolarHBondContact OE2-NZ 3.28Å; E797-D801 PolarHBondContact O-N 2.81Å; E797-S1113 WeakPolarHBondContact CB-OG 3.35Å; E797-S1113 PolarHBondContact N-OG 3.22Å; E797-S1113 PolarHBondContact OE2-OG 3.43Å
798	H	59	Low	62.4	Low	70 Å²	70	62.5 Å²	62.5	32%	0.324	29%	0.293	S	S	.	.	H	α-helix	trans	-62.8	-18.8	179.3	70.4	-89.3	0	0	0	113.6	I572 P796	I572-H798 WeakPolarHBondContact CG2-O 3.46Å; P796-H798 VanDerWaalsContact C-N 3.29Å; P796-H798 WeakPolarHBondContact CB-CE1 3.48Å; P796-H798 WeakPolarHBondContact CB-ND1 3.41Å; P796-H798 PolarHBondContact O-N 3.32Å
799	I	62.5	Low	61.3	Low	14 Å²	14	68.8 Å²	68.8	7%	0.072	32%	0.318	C	S	.	.	H	α-helix	trans	-95.5	-42.8	175.3	-57.6	-173.8	0	0	0	110.5	L560 L795 P796 E797 D801 G802 L803 V834	L560-I799 HydrophobicContact CB-CD1 3.81Å; L560-I799 HydrophobicContact CD1-CD1 3.88Å; L560-I799 HydrophobicContact CG-CD1 4.29Å; L795-I799 HydrophobicContact CB-CB 4.43Å; L795-I799 HydrophobicContact CB-CG2 4.39Å; L795-I799 HydrophobicContact CD1-CG2 4.14Å; P796-I799 HydrophobicContact CG-CD1 4.33Å; P796-I799 PolarHBondContact O-N 2.82Å; E797-I799 PolarHBondContact O-N 3.11Å; E797-I799 VanDerWaalsContact O-N 3.09Å; I799-D801 VanDerWaalsContact C-N 3.33Å; I799-D801 PolarHBondContact O-N 3.23Å; I799-G802 PolarHBondContact O-N 3.46Å; I799-L803 HydrophobicContact CG2-CD1 3.81Å; I799-L803 HydrophobicContact CG2-CG 4.27Å; I799-L803 PolarHBondContact O-N 3.42Å; I799-V834 HydrophobicContact CG2-CG1 3.69Å
800	K	62.9	Low	60.4	Low	37 Å²	37	64.3 Å²	64.3	16%	0.161	30%	0.304	C	S	.	.	H	α-helix	trans	-50	-52.4	174.6	-79.3	165.2	166.2	160.9	0	111.8	L792 T793 L795 P796 E797 G802 L803 Q804	L792-K800 WeakPolarHBondContact O-CD 3.35Å; L792-K800 WeakPolarHBondContact O-CE 3.42Å; L792-K800 WeakPolarHBondContact O-CG 3.45Å; T793-K800 VanDerWaalsContact C-CE 3.48Å; T793-K800 WeakPolarHBondContact O-CE 3.49Å; T793-K800 PolarHBondContact O-NZ 2.85Å; L795-K800 HydrophobicContact CB-CG 4.18Å; L795-K800 VanDerWaalsContact O-CD 3.22Å; L795-K800 WeakPolarHBondContact O-CD 3.35Å; L795-K800 WeakPolarHBondContact O-CE 3.39Å; L795-K800 PolarHBondContact O-NZ 3.28Å; L795-K800 VanDerWaalsContact O-NZ 3.1Å; P796-K800 PolarHBondContact O-N 2.72Å; E797-K800 WeakPolarHBondContact O-CB 3.5Å; E797-K800 PolarHBondContact O-N 2.74Å; E797-K800 VanDerWaalsContact OE2-CD 3.24Å; E797-K800 WeakPolarHBondContact OE2-CD 3.33Å; E797-K800 IonicContact OE2-NZ 3.6Å; E797-K800 PolarHBondContact OE2-NZ 3.28Å; K800-G802 VanDerWaalsContact C-N 3.27Å; K800-G802 PolarHBondContact O-N 3.21Å; K800-L803 PolarHBondContact O-N 3.13Å; K800-Q804 WeakPolarHBondContact O-CB 3.44Å; K800-Q804 PolarHBondContact O-N 2.85Å
801	D	55.3	Low	59.7	Low	74 Å²	74	61.2 Å²	61.2	40%	0.396	30%	0.304	S	S	.	.	H	α-helix	trans	-57.9	-36.1	-174	-92.6	-10.6	0	0	0	113.4	E797 I799 K805	E797-D801 PolarHBondContact O-N 2.81Å; I799-D801 VanDerWaalsContact C-N 3.33Å; I799-D801 PolarHBondContact O-N 3.23Å; D801-K805 VanDerWaalsContact O-CD 3.3Å; D801-K805 WeakPolarHBondContact O-CD 3.22Å; D801-K805 VanDerWaalsContact O-CG 3.29Å; D801-K805 WeakPolarHBondContact O-CG 2.89Å
802	G	55.3	Low	59.3	Low	2 Å²	2	63.2 Å²	63.2	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-90.6	-29.8	178.4	0	0	0	0	0	114.2	I799 K800 Q804 K805 F806	I799-G802 PolarHBondContact O-N 3.46Å; K800-G802 VanDerWaalsContact C-N 3.27Å; K800-G802 PolarHBondContact O-N 3.21Å; G802-Q804 VanDerWaalsContact C-N 3.31Å; G802-Q804 PolarHBondContact O-N 3.37Å; G802-K805 PolarHBondContact O-N 2.96Å; G802-F806 PolarHBondContact O-N 2.92Å
803	L	57.2	Low	59.3	Low	5 Å²	5	62.9 Å²	62.9	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-36.4	171.2	-78.7	174.3	0	0	0	112.1	L792 L795 I799 K800 K805 V834	L792-L803 HydrophobicContact CD1-CB 4.07Å; L792-L803 HydrophobicContact CD1-CD1 4.06Å; L792-L803 HydrophobicContact CD2-CB 4.28Å; L792-L803 HydrophobicContact CG-CB 4.28Å; L795-L803 HydrophobicContact CD1-CD1 3.39Å; I799-L803 HydrophobicContact CG2-CD1 3.81Å; I799-L803 HydrophobicContact CG2-CG 4.27Å; I799-L803 PolarHBondContact O-N 3.42Å; K800-L803 PolarHBondContact O-N 3.13Å; L803-K805 VanDerWaalsContact C-N 3.32Å; L803-V834 HydrophobicContact CD1-CG1 3.95Å; L803-V834 HydrophobicContact CD2-CG1 4.32Å; L803-V834 HydrophobicContact CG-CG1 4.4Å
804	Q	54.2	Low	59.8	Low	148 Å²	148	59.4 Å²	59.4	69%	0.692	29%	0.292	S	S	*	.	H	α-helix	trans	-69.9	-29.8	178.8	-165.9	168.8	7	0	0	112.5	L792 K800 G802	L792-Q804 HydrophobicContact CD2-CB 3.88Å; L792-Q804 HydrophobicContact CD2-CG 4.43Å; K800-Q804 WeakPolarHBondContact O-CB 3.44Å; K800-Q804 PolarHBondContact O-N 2.85Å; G802-Q804 VanDerWaalsContact C-N 3.31Å; G802-Q804 PolarHBondContact O-N 3.37Å
805	K	53.3	Low	60.5	Low	138 Å²	138	58.5 Å²	58.5	60%	0.6	29%	0.288	S	S	*	.	H	α-helix	trans	-91.1	-26.9	-176.9	-69.2	173.1	-171.7	162.1	0	113.7	D801 G802 L803	D801-K805 VanDerWaalsContact O-CD 3.3Å; D801-K805 WeakPolarHBondContact O-CD 3.22Å; D801-K805 VanDerWaalsContact O-CG 3.29Å; D801-K805 WeakPolarHBondContact O-CG 2.89Å; G802-K805 PolarHBondContact O-N 2.96Å; L803-K805 VanDerWaalsContact C-N 3.32Å
806	F	49.1	Very low	61.3	Low	75 Å²	75	58.8 Å²	58.8	33%	0.329	29%	0.289	S	S	.	.	S	Bend	trans	-141.1	56.5	-166.6	-53.6	-73.1	0	0	0	112.4	G573 S574 S575 F577 G802	G573-F806 CarbonylContact C-O 3.57Å; S574-F806 WeakPolarHBondContact CA-O 3.48Å; S574-F806 WeakPolarHBondContact CB-O 3.45Å; S574-F806 PolarHBondContact N-O 3.32Å; S574-F806 PolarHBondContact OG-O 3.35Å; S575-F806 VanDerWaalsContact CB-CD2 3.43Å; S575-F806 WeakPolarHBondContact OG-CD1 3.22Å; S575-F806 VanDerWaalsContact OG-CD2 3.29Å; S575-F806 WeakPolarHBondContact OG-CD2 3.24Å; S575-F806 WeakPolarHBondContact OG-CE1 3.43Å; S575-F806 WeakPolarHBondContact OG-CE2 3.04Å; S575-F806 WeakPolarHBondContact OG-CG 2.75Å; S575-F806 WeakPolarHBondContact OG-CZ 3.22Å; F577-F806 HydrophobicContact CE2-CE2 4.26Å; F577-F806 HydrophobicContact CZ-CD2 4.43Å; F577-F806 AromaticContact CZ-CE2 3.74Å; F577-F806 HydrophobicContact CZ-CE2 3.74Å; G802-F806 PolarHBondContact O-N 2.92Å
807	A	50.4	Low	62.6	Low	21 Å²	21	58.1 Å²	58.1	17%	0.174	29%	0.285	C	S	.	.			trans	-76.3	-27.9	-170.4	0	0	0	0	0	116.4	Y809	A807-Y809 PolarHBondContact O-N 3.01Å
808	D	45.6	Very low	64.1	Low	131 Å²	131	54 Å²	54	70%	0.701	27%	0.266	S	S	*	.	S	Bend	trans	-90.7	-6.7	-145.1	-64.1	-26.1	0	0	0	116.9
809	Y	45.8	Very low	65.9	Low	197 Å²	197	50.7 Å²	50.7	77%	0.773	25%	0.251	S	S	*	.			trans	-150.6	96.6	177.2	-82.6	-87.3	0	0	0	112.1	S574 A807 S811	S574-Y809 PolarHBondContact OG-N 3.36Å; S574-Y809 PolarHBondContact OG-O 3.43Å; A807-Y809 PolarHBondContact O-N 3.01Å; Y809-S811 PolarHBondContact O-N 2.91Å; Y809-S811 VanDerWaalsContact O-N 3.08Å
810	M	52.2	Low	67.5	Low	46 Å²	46	50 Å²	50	23%	0.227	25%	0.247	C	C	.	.			trans	-85.2	75.6	175.2	-65.6	-176.9	86	0	0	111.8	F812 A813 L816 S835	M810-F812 PolarHBondContact O-N 3.46Å; M810-F812 VanDerWaalsContact O-N 3.16Å; M810-A813 HydrophobicContact CB-CB 4.4Å; M810-L816 HydrophobicContact CE-CD1 3.35Å; M810-S835 WeakPolarHBondContact CE-OG 3.26Å; M810-S835 PolarHBondContact SD-OG 2.86Å
811	S	57.6	Low	69.2	Low	76 Å²	76	48.3 Å²	48.3	53%	0.531	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	2.6	166.4	74.9	0	0	0	0	113.3	Y809	Y809-S811 PolarHBondContact O-N 2.91Å; Y809-S811 VanDerWaalsContact O-N 3.08Å
812	F	64.6	Low	71.2	Confident	48 Å²	48	44.8 Å²	44.8	21%	0.211	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	16.1	-174.6	-52.5	-67.5	0	0	0	113.3	I571 V576 M810 T814 I815 L816	I571-F812 HydrophobicContact CD1-CB 3.83Å; I571-F812 HydrophobicContact CD1-CD1 4.13Å; I571-F812 HydrophobicContact CD1-CG 3.93Å; I571-F812 HydrophobicContact CG2-CB 4.37Å; I571-F812 HydrophobicContact CG2-CD2 4.26Å; V576-F812 HydrophobicContact CG2-CE2 4.48Å; V576-F812 HydrophobicContact CG2-CZ 4.36Å; M810-F812 PolarHBondContact O-N 3.46Å; M810-F812 VanDerWaalsContact O-N 3.16Å; F812-T814 PolarHBondContact O-N 3.16Å; F812-I815 HydrophobicContact CB-CB 4.43Å; F812-I815 HydrophobicContact CB-CD1 4.25Å; F812-I815 HydrophobicContact CB-CG1 4.45Å; F812-I815 HydrophobicContact CD1-CD1 3.75Å; F812-I815 HydrophobicContact CG-CD1 4.48Å; F812-I815 WeakPolarHBondContact O-CB 3.24Å; F812-I815 PolarHBondContact O-N 3.43Å; F812-L816 PolarHBondContact O-N 3.33Å
813	A	71.7	Confident	73.2	Confident	18 Å²	18	44.7 Å²	44.7	15%	0.149	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.3	-165	0	0	0	0	0	114.6	M810 L841	M810-A813 HydrophobicContact CB-CB 4.4Å; A813-L841 HydrophobicContact CB-CD1 4.11Å; A813-L841 HydrophobicContact CB-CD2 3.93Å
814	T	84.4	Confident	75	Confident	16 Å²	16	47 Å²	47	10%	0.098	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-10.6	179.3	61.9	0	0	0	0	114.7	F812 L841 R874 E879 W880 M882	F812-T814 PolarHBondContact O-N 3.16Å; T814-L841 HydrophobicContact CG2-CD1 4.37Å; T814-R874 PolarHBondContact O-NH1 2.98Å; T814-E879 WeakPolarHBondContact OG1-CB 3.38Å; T814-W880 PolarHBondContact OG1-N 3.47Å; T814-M882 HydrophobicContact CG2-CE 4.34Å
815	I	88.1	Confident	76.8	Confident	6 Å²	6	41.6 Å²	41.6	3%	0.031	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-37.2	169.8	-52.6	-174.7	0	0	0	109.4	F564 I571 G668 T669 F812 N877 E879	F564-I815 WeakPolarHBondContact O-CG2 3.31Å; I571-I815 HydrophobicContact CD1-CB 3.99Å; I571-I815 HydrophobicContact CD1-CD1 4.23Å; I571-I815 HydrophobicContact CD1-CG2 3.62Å; G668-I815 CarbonylContact C-O 3.57Å; G668-I815 WeakPolarHBondContact CA-O 3.49Å; T669-I815 PolarHBondContact N-O 2.9Å; F812-I815 HydrophobicContact CB-CB 4.43Å; F812-I815 HydrophobicContact CB-CD1 4.25Å; F812-I815 HydrophobicContact CB-CG1 4.45Å; F812-I815 HydrophobicContact CD1-CD1 3.75Å; F812-I815 HydrophobicContact CG-CD1 4.48Å; F812-I815 WeakPolarHBondContact O-CB 3.24Å; F812-I815 PolarHBondContact O-N 3.43Å; I815-N877 WeakPolarHBondContact CD1-O 3.32Å; I815-E879 HydrophobicContact CD1-CG 4.15Å; I815-E879 HydrophobicContact CG1-CG 3.75Å
816	L	90	Very high	78.8	Confident	9 Å²	9	35 Å²	35	5%	0.047	19%	0.186	C	C	.	.	S	Bend	trans	-67.6	163.5	172.7	-71.4	172.1	0	0	0	111.8	I571 M810 F812 V834	I571-L816 HydrophobicContact CB-CD2 3.99Å; I571-L816 HydrophobicContact CG2-CD1 4.27Å; I571-L816 HydrophobicContact CG2-CD2 3.9Å; I571-L816 HydrophobicContact CG2-CG 4.19Å; M810-L816 HydrophobicContact CE-CD1 3.35Å; F812-L816 PolarHBondContact O-N 3.33Å; L816-V834 HydrophobicContact CB-CG2 4.31Å
817	P	92.2	Very high	81	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.019	18%	0.183	C	C	.	.			trans	-50.9	137.8	172.2	-28.2	34.3	0	0	0	113.6	L560 R561 V666 A833 V834	L560-P817 VanDerWaalsContact C-CG 3.47Å; L560-P817 HydrophobicContact CD2-CB 4.27Å; L560-P817 WeakPolarHBondContact O-CG 3.2Å; R561-P817 WeakPolarHBondContact O-CG 3.17Å; V666-P817 WeakPolarHBondContact O-CA 3.39Å; P817-A833 HydrophobicContact CB-CB 3.93Å; P817-A833 WeakPolarHBondContact O-CB 3.21Å; P817-A833 PolarHBondContact O-N 3.2Å; P817-V834 HydrophobicContact CB-CG2 4.13Å; P817-V834 HydrophobicContact CG-CG2 4.12Å
818	T	94.3	Very high	83.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	158.5	-177.5	50.4	0	0	0	0	111.5	V666 W820 I830 H831 L841	V666-T818 WeakPolarHBondContact CB-OG1 3.46Å; V666-T818 PolarHBondContact N-O 2.9Å; V666-T818 PolarHBondContact O-N 3.38Å; V666-T818 VanDerWaalsContact O-O 3.1Å; T818-W820 PolarHBondContact OG1-NE1 3.4Å; T818-I830 HydrophobicContact CG2-CG2 4.23Å; T818-H831 CarbonylContact C-O 3.6Å; T818-H831 WeakPolarHBondContact CA-O 3.47Å; T818-H831 VanDerWaalsContact CB-O 3.26Å; T818-H831 WeakPolarHBondContact CB-O 3.22Å; T818-L841 HydrophobicContact CG2-CD1 4.19Å
819	V	96.4	Very high	85.5	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.5	171.7	-179	0	0	0	0	108.6	W627 I663 M821 H831 A833	W627-V819 HydrophobicContact CD2-CB 4.37Å; W627-V819 HydrophobicContact CD2-CG1 4.15Å; W627-V819 HydrophobicContact CD2-CG2 3.95Å; W627-V819 HydrophobicContact CE3-CB 3.97Å; W627-V819 HydrophobicContact CE3-CG1 3.68Å; W627-V819 HydrophobicContact CE3-CG2 4.05Å; W627-V819 HydrophobicContact CH2-CB 4.31Å; W627-V819 HydrophobicContact CH2-CG2 4.18Å; W627-V819 HydrophobicContact CZ2-CG2 4.08Å; W627-V819 HydrophobicContact CZ3-CB 3.93Å; W627-V819 HydrophobicContact CZ3-CG1 4.07Å; W627-V819 HydrophobicContact CZ3-CG2 4.16Å; I663-V819 HydrophobicContact CD1-CG1 3.62Å; I663-V819 HydrophobicContact CG1-CG1 3.66Å; V819-M821 HydrophobicContact CG1-CG 4.31Å; V819-H831 PolarHBondContact N-O 3.26Å; V819-H831 PolarHBondContact O-N 2.82Å; V819-A833 HydrophobicContact CG2-CB 3.8Å
820	W	97.9	Very high	87.8	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129	-176.2	-69.8	49.2	0	0	0	109.2	I663 C664 V666 T818 L828 Y829 I830 I853 V860 F872 W880	I663-W820 CarbonylContact C-O 3.51Å; I663-W820 WeakPolarHBondContact CA-O 3.36Å; C664-W820 PolarHBondContact N-O 2.89Å; C664-W820 PolarHBondContact O-N 2.69Å; V666-W820 HydrophobicContact CG2-CB 4.27Å; V666-W820 HydrophobicContact CG2-CD2 4.19Å; V666-W820 HydrophobicContact CG2-CG 3.7Å; T818-W820 PolarHBondContact OG1-NE1 3.4Å; W820-L828 HydrophobicContact CE3-CD1 4.23Å; W820-L828 HydrophobicContact CE3-CD2 3.76Å; W820-L828 HydrophobicContact CE3-CG 4.19Å; W820-L828 HydrophobicContact CZ3-CD2 3.77Å; W820-Y829 CarbonylContact C-O 3.29Å; W820-Y829 WeakPolarHBondContact CA-O 3.48Å; W820-I830 HydrophobicContact CD2-CD1 4.11Å; W820-I830 HydrophobicContact CD2-CG1 3.91Å; W820-I830 HydrophobicContact CE3-CD1 4.13Å; W820-I830 HydrophobicContact CE3-CG1 4.18Å; W820-I830 HydrophobicContact CG-CG1 4.31Å; W820-I830 HydrophobicContact CH2-CD1 3.73Å; W820-I830 HydrophobicContact CZ2-CD1 3.69Å; W820-I830 HydrophobicContact CZ2-CG1 4.33Å; W820-I830 HydrophobicContact CZ3-CD1 3.95Å; W820-I830 HydrophobicContact CZ3-CG1 4.5Å; W820-I853 HydrophobicContact CB-CD1 4.28Å; W820-I853 HydrophobicContact CB-CG2 4.33Å; W820-V860 HydrophobicContact CD2-CG1 4.15Å; W820-V860 HydrophobicContact CE3-CB 4.33Å; W820-V860 HydrophobicContact CE3-CG1 3.59Å; W820-V860 HydrophobicContact CH2-CB 4.05Å; W820-V860 HydrophobicContact CH2-CG1 4.2Å; W820-V860 HydrophobicContact CH2-CG2 4.22Å; W820-V860 HydrophobicContact CZ2-CB 4.48Å; W820-V860 HydrophobicContact CZ2-CG2 4.16Å; W820-V860 HydrophobicContact CZ3-CB 3.96Å; W820-V860 HydrophobicContact CZ3-CG1 3.63Å; W820-V860 HydrophobicContact CZ3-CG2 4.45Å; W820-F872 HydrophobicContact CH2-CB 3.78Å; W820-F872 HydrophobicContact CH2-CD1 4.34Å; W820-F872 HydrophobicContact CH2-CD2 4.28Å; W820-F872 AromaticContact CH2-CG 3.88Å; W820-F872 HydrophobicContact CH2-CG 3.88Å; W820-F872 HydrophobicContact CZ3-CB 4.09Å; W820-F872 HydrophobicContact CZ3-CD1 4.4Å; W820-F872 AromaticContact CZ3-CD2 3.74Å; W820-F872 HydrophobicContact CZ3-CD2 3.74Å; W820-F872 HydrophobicContact CZ3-CE2 4.26Å; W820-F872 AromaticContact CZ3-CG 3.81Å; W820-F872 HydrophobicContact CZ3-CG 3.81Å; W820-W880 HydrophobicContact CH2-CD2 4.29Å; W820-W880 HydrophobicContact CH2-CE3 4.49Å; W820-W880 HydrophobicContact CH2-CG 4.44Å; W820-W880 AromaticContact CZ2-CD1 3.73Å; W820-W880 AromaticContact CZ2-CD2 3.79Å; W820-W880 HydrophobicContact CZ2-CD2 3.79Å; W820-W880 AromaticContact CZ2-CE2 3.83Å; W820-W880 HydrophobicContact CZ2-CE3 4.38Å; W820-W880 AromaticContact CZ2-CG 3.83Å; W820-W880 HydrophobicContact CZ2-CG 3.83Å; W820-W880 AromaticContact CZ2-NE1 3.76Å
821	M	98	Very high	89.8	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.6	-174.7	-68.1	171.7	-70.7	0	0	110.2	W627 V638 L655 V660 C662 I663 V819 L828 Y829 H831	W627-M821 HydrophobicContact CZ3-CE 4.34Å; V638-M821 HydrophobicContact CG2-CE 4.42Å; V638-M821 HydrophobicContact CG2-SD 3.72Å; L655-M821 HydrophobicContact CD1-CE 3.86Å; L655-M821 HydrophobicContact CD1-SD 3.75Å; L655-M821 HydrophobicContact CD2-CE 4.1Å; V660-M821 HydrophobicContact CG1-CB 3.97Å; V660-M821 HydrophobicContact CG1-CG 4.45Å; C662-M821 WeakPolarHBondContact O-CA 3.48Å; I663-M821 HydrophobicContact CB-CG 4.08Å; I663-M821 HydrophobicContact CD1-CG 3.83Å; I663-M821 HydrophobicContact CD1-SD 4.07Å; I663-M821 HydrophobicContact CG1-CG 3.69Å; V819-M821 HydrophobicContact CG1-CG 4.31Å; M821-L828 CarbonylContact O-C 3.36Å; M821-L828 WeakPolarHBondContact O-CA 3.49Å; M821-Y829 PolarHBondContact N-O 2.85Å; M821-Y829 PolarHBondContact O-N 3.28Å; M821-H831 HydrophobicContact CE-CB 4.39Å; M821-H831 WeakPolarHBondContact CE-CD2 3.47Å
822	G	97.6	Very high	91.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.6	-178.5	0	0	0	0	0	112.1	V660 L661 C662	V660-G822 CarbonylContact C-O 3.57Å; L661-G822 PolarHBondContact N-O 3.37Å; C662-G822 PolarHBondContact N-O 3.1Å; C662-G822 PolarHBondContact O-N 3.19Å
823	S	96.4	Very high	92.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	164.4	-178.7	84.3	0	0	0	0	114	H659 G825 G826 H827 V850	H659-S823 CarbonylContact O-C 3.52Å; H659-S823 VanDerWaalsContact O-CA 3.28Å; H659-S823 WeakPolarHBondContact O-CA 3.36Å; S823-G825 PolarHBondContact O-N 3.49Å; S823-G825 PolarHBondContact OG-N 2.84Å; S823-G826 PolarHBondContact O-N 2.98Å; S823-H827 PolarHBondContact N-O 3.31Å; S823-H827 WeakPolarHBondContact OG-CB 3.44Å; S823-H827 PolarHBondContact OG-N 2.82Å; S823-H827 PolarHBondContact OG-O 2.65Å; S823-V850 PolarHBondContact O-N 3.35Å; S823-V850 VanDerWaalsContact O-N 3.1Å
824	Q	94.6	Very high	93.3	Very high	54 Å²	54	9.7 Å²	9.7	25%	0.252	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.8	170.6	-173	-178.9	1.9	0	0	112.1	H659 L661 G826 S849	H659-Q824 PolarHBondContact CD2-OE1 3.19Å; H659-Q824 PolarHBondContact O-N 3.45Å; L661-Q824 HydrophobicContact CD1-CB 3.87Å; L661-Q824 HydrophobicContact CD1-CG 4.33Å; L661-Q824 HydrophobicContact CD2-CB 4.24Å; L661-Q824 HydrophobicContact CG-CB 4.03Å; Q824-G826 PolarHBondContact O-N 3.18Å; Q824-S849 PolarHBondContact O-OG 3.24Å
825	G	93	Very high	93.2	Very high	35 Å²	35	9.3 Å²	9.3	36%	0.361	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	11.8	175.5	0	0	0	0	0	113.8	S658 S823 H827 Q845	S658-G825 PolarHBondContact OG-N 2.83Å; S823-G825 PolarHBondContact O-N 3.49Å; S823-G825 PolarHBondContact OG-N 2.84Å; G825-H827 PolarHBondContact O-N 3.43Å; G825-H827 PolarHBondContact O-ND1 2.8Å; G825-Q845 PolarHBondContact O-NE2 2.94Å
826	G	94.8	Very high	92.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	70	15.7	-177.2	0	0	0	0	0	114.8	S823 Q824 L846 D848	S823-G826 PolarHBondContact O-N 2.98Å; Q824-G826 PolarHBondContact O-N 3.18Å; G826-L846 WeakPolarHBondContact O-CB 3.34Å; G826-L846 PolarHBondContact O-N 3.34Å; G826-D848 WeakPolarHBondContact CA-O 3.27Å
827	H	94.9	Very high	92.7	Very high	59 Å²	59	11.7 Å²	11.7	27%	0.273	7%	0.065	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.2	174.2	-61.9	58.8	0	0	0	109.9	S823 G825 Y829 T843 V844 Q845	S823-H827 PolarHBondContact N-O 3.31Å; S823-H827 WeakPolarHBondContact OG-CB 3.44Å; S823-H827 PolarHBondContact OG-N 2.82Å; S823-H827 PolarHBondContact OG-O 2.65Å; G825-H827 PolarHBondContact O-N 3.43Å; G825-H827 PolarHBondContact O-ND1 2.8Å; H827-Y829 HydrophobicContact CB-CD2 4.46Å; H827-Y829 HydrophobicContact CB-CE1 4.24Å; H827-Y829 HydrophobicContact CB-CE2 3.67Å; H827-Y829 WeakPolarHBondContact CB-OH 3.48Å; H827-Y829 PolarHBondContact CD2-OH 3.4Å; H827-T843 HydrophobicContact CB-CG2 4.47Å; H827-V844 CarbonylContact C-O 3.45Å; H827-V844 WeakPolarHBondContact CA-O 3.34Å; H827-Q845 PolarHBondContact CE1-OE1 3.4Å; H827-Q845 PolarHBondContact ND1-OE1 3.44Å; H827-Q845 VanDerWaalsContact ND1-OE1 3.12Å; H827-Q845 PolarHBondContact NE2-OE1 2.98Å
828	L	95.8	Very high	92.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	110.3	173.3	-176.7	71	0	0	0	109	W820 M821 T843 V844 L846 I853 F872	W820-L828 HydrophobicContact CE3-CD1 4.23Å; W820-L828 HydrophobicContact CE3-CD2 3.76Å; W820-L828 HydrophobicContact CE3-CG 4.19Å; W820-L828 HydrophobicContact CZ3-CD2 3.77Å; M821-L828 CarbonylContact O-C 3.36Å; M821-L828 WeakPolarHBondContact O-CA 3.49Å; L828-T843 CarbonylContact O-C 3.51Å; L828-T843 WeakPolarHBondContact O-CA 3.35Å; L828-V844 HydrophobicContact CB-CB 4.25Å; L828-V844 PolarHBondContact N-O 2.75Å; L828-V844 PolarHBondContact O-N 2.92Å; L828-L846 HydrophobicContact CB-CD1 4.11Å; L828-L846 HydrophobicContact CD2-CD1 4.25Å; L828-I853 HydrophobicContact CD1-CD1 3.54Å; L828-I853 HydrophobicContact CD1-CG1 4.37Å; L828-F872 HydrophobicContact CD2-CD2 4.32Å; L828-F872 HydrophobicContact CD2-CE2 3.53Å; L828-F872 HydrophobicContact CD2-CZ 3.66Å
829	Y	95.5	Very high	92.1	Very high	13 Å²	13	22.7 Å²	22.7	5%	0.051	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132	-179.8	-55.1	-79.4	0	0	0	110.4	L655 S656 W820 M821 H827 T843	L655-Y829 HydrophobicContact CD1-CD2 4.37Å; L655-Y829 HydrophobicContact CD2-CG 4.45Å; S656-Y829 WeakPolarHBondContact CB-OH 3.5Å; S656-Y829 PolarHBondContact OG-OH 3.05Å; W820-Y829 CarbonylContact C-O 3.29Å; W820-Y829 WeakPolarHBondContact CA-O 3.48Å; M821-Y829 PolarHBondContact N-O 2.85Å; M821-Y829 PolarHBondContact O-N 3.28Å; H827-Y829 HydrophobicContact CB-CD2 4.46Å; H827-Y829 HydrophobicContact CB-CE1 4.24Å; H827-Y829 HydrophobicContact CB-CE2 3.67Å; H827-Y829 WeakPolarHBondContact CB-OH 3.48Å; H827-Y829 PolarHBondContact CD2-OH 3.4Å; Y829-T843 HydrophobicContact CD1-CG2 3.83Å; Y829-T843 WeakPolarHBondContact CD1-OG1 3.27Å; Y829-T843 HydrophobicContact CE1-CG2 3.62Å
830	I	95	Very high	91.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.5	179	-55.4	176.6	0	0	0	108.1	T818 W820 L841 V842 M882	T818-I830 HydrophobicContact CG2-CG2 4.23Å; W820-I830 HydrophobicContact CD2-CD1 4.11Å; W820-I830 HydrophobicContact CD2-CG1 3.91Å; W820-I830 HydrophobicContact CE3-CD1 4.13Å; W820-I830 HydrophobicContact CE3-CG1 4.18Å; W820-I830 HydrophobicContact CG-CG1 4.31Å; W820-I830 HydrophobicContact CH2-CD1 3.73Å; W820-I830 HydrophobicContact CZ2-CD1 3.69Å; W820-I830 HydrophobicContact CZ2-CG1 4.33Å; W820-I830 HydrophobicContact CZ3-CD1 3.95Å; W820-I830 HydrophobicContact CZ3-CG1 4.5Å; I830-L841 WeakPolarHBondContact O-CA 3.41Å; I830-L841 VanDerWaalsContact O-CB 3.31Å; I830-L841 WeakPolarHBondContact O-CB 3.33Å; I830-L841 PolarHBondContact O-N 3.04Å; I830-V842 HydrophobicContact CB-CB 4.28Å; I830-V842 HydrophobicContact CD1-CB 4.22Å; I830-V842 PolarHBondContact N-O 3.1Å; I830-V842 PolarHBondContact O-N 3.33Å; I830-M882 HydrophobicContact CD1-CE 3.55Å; I830-M882 HydrophobicContact CD1-SD 4.35Å
831	H	93.3	Very high	91.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	154.3	178.2	-73.1	-113.2	0	0	0	109.9	W627 F653 L655 T818 V819 M821 W837 K839 C840	W627-H831 HydrophobicContact CH2-CB 3.94Å; W627-H831 HydrophobicContact CZ3-CB 3.94Å; F653-H831 AromaticContact CE2-CE1 3.81Å; F653-H831 AromaticContact CE2-ND1 3.97Å; L655-H831 VanDerWaalsContact CD2-NE2 3.29Å; L655-H831 WeakPolarHBondContact CD2-NE2 3.38Å; T818-H831 CarbonylContact C-O 3.6Å; T818-H831 WeakPolarHBondContact CA-O 3.47Å; T818-H831 VanDerWaalsContact CB-O 3.26Å; T818-H831 WeakPolarHBondContact CB-O 3.22Å; V819-H831 PolarHBondContact N-O 3.26Å; V819-H831 PolarHBondContact O-N 2.82Å; M821-H831 HydrophobicContact CE-CB 4.39Å; M821-H831 WeakPolarHBondContact CE-CD2 3.47Å; H831-W837 PolarHBondContact ND1-O 2.82Å; H831-K839 PolarHBondContact ND1-O 3.19Å; H831-C840 VanDerWaalsContact CE1-CA 3.45Å; H831-C840 WeakPolarHBondContact CE1-CA 3.32Å; H831-C840 PolarHBondContact CE1-N 3.04Å; H831-C840 PolarHBondContact NE2-SG 3.32Å; H831-C840 VanDerWaalsContact NE2-SG 3.42Å
832	S	91	Very high	90.9	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	135.2	167.3	-178.7	0	0	0	0	109.1	V834 S835	S832-V834 PolarHBondContact OG-N 2.9Å; S832-V834 VanDerWaalsContact OG-N 3.13Å; S832-S835 VanDerWaalsContact CB-O 3.29Å; S832-S835 WeakPolarHBondContact CB-O 3.4Å; S832-S835 PolarHBondContact OG-N 3.14Å
833	A	90.5	Very high	90.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-79.8	-11	171.3	0	0	0	0	0	112.2	V558 L560 P817 V819 W837	V558-A833 HydrophobicContact CG1-CB 3.71Å; L560-A833 HydrophobicContact CD2-CB 3.96Å; P817-A833 HydrophobicContact CB-CB 3.93Å; P817-A833 WeakPolarHBondContact O-CB 3.21Å; P817-A833 PolarHBondContact O-N 3.2Å; V819-A833 HydrophobicContact CG2-CB 3.8Å; A833-W837 PolarHBondContact O-NE1 3.36Å
834	V	85.6	Confident	90.5	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.024	15%	0.15	C	C	.	.	S	Bend	trans	-100.7	-46.6	-168.5	178.2	0	0	0	0	111.9	L560 L795 I799 L803 L816 P817 S832	L560-V834 HydrophobicContact CD2-CG2 4.26Å; L795-V834 VanDerWaalsContact CD1-O 3.26Å; L795-V834 WeakPolarHBondContact CD1-O 3.46Å; I799-V834 HydrophobicContact CG2-CG1 3.69Å; L803-V834 HydrophobicContact CD1-CG1 3.95Å; L803-V834 HydrophobicContact CD2-CG1 4.32Å; L803-V834 HydrophobicContact CG-CG1 4.4Å; L816-V834 HydrophobicContact CB-CG2 4.31Å; P817-V834 HydrophobicContact CB-CG2 4.13Å; P817-V834 HydrophobicContact CG-CG2 4.12Å; S832-V834 PolarHBondContact OG-N 2.9Å; S832-V834 VanDerWaalsContact OG-N 3.13Å
835	S	81.8	Confident	90.5	Very high	8 Å²	8	30 Å²	30	6%	0.056	15%	0.153	C	C	.	.	S	Bend	trans	-151.6	164.8	-173.1	52	0	0	0	0	111.8	M810 S832 W837	M810-S835 WeakPolarHBondContact CE-OG 3.26Å; M810-S835 PolarHBondContact SD-OG 2.86Å; S832-S835 VanDerWaalsContact CB-O 3.29Å; S832-S835 WeakPolarHBondContact CB-O 3.4Å; S832-S835 PolarHBondContact OG-N 3.14Å; S835-W837 PolarHBondContact O-N 3.41Å
836	E	80.6	Confident	90.6	Very high	64 Å²	64	28.6 Å²	28.6	30%	0.299	14%	0.137	S	C	.	.			trans	48.4	44.6	179.6	-64.7	177.3	-158.8	0	0	112.2	R788 R838 K839	R788-E836 IonicContact NH1-OE1 2.74Å; E836-R838 PolarHBondContact O-N 3.49Å; E836-K839 HydrophobicContact CB-CB 4.07Å; E836-K839 HydrophobicContact CB-CD 4.4Å; E836-K839 WeakPolarHBondContact O-CB 3.35Å; E836-K839 PolarHBondContact O-N 2.62Å; E836-K839 WeakPolarHBondContact OE2-CD 3.3Å; E836-K839 IonicContact OE2-NZ 3.37Å; E836-K839 PolarHBondContact OE2-NZ 3.06Å
837	W	87.7	Confident	90.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-32.3	-171.3	-60.2	-22.7	0	0	0	113.6	L625 W627 V640 I650 D651 F653 L791 L795 H831 A833 S835 K839	L625-W837 HydrophobicContact CD1-CH2 4.36Å; L625-W837 HydrophobicContact CD1-CZ2 4.03Å; L625-W837 HydrophobicContact CD2-CH2 4.48Å; W627-W837 HydrophobicContact CH2-CB 3.86Å; W627-W837 HydrophobicContact CH2-CG 4.1Å; W627-W837 HydrophobicContact CZ2-CB 3.92Å; W627-W837 AromaticContact CZ2-CD1 3.74Å; W627-W837 HydrophobicContact CZ2-CD2 4.12Å; W627-W837 AromaticContact CZ2-CG 3.67Å; W627-W837 HydrophobicContact CZ2-CG 3.67Å; V640-W837 HydrophobicContact CB-CE3 4Å; V640-W837 HydrophobicContact CB-CZ3 3.79Å; V640-W837 HydrophobicContact CG1-CE3 4.01Å; V640-W837 HydrophobicContact CG1-CH2 3.89Å; V640-W837 HydrophobicContact CG1-CZ3 3.52Å; V640-W837 HydrophobicContact CG2-CE3 3.83Å; V640-W837 HydrophobicContact CG2-CZ3 4.16Å; I650-W837 HydrophobicContact CB-CZ3 4.25Å; I650-W837 HydrophobicContact CD1-CH2 4.43Å; I650-W837 HydrophobicContact CG2-CH2 4.08Å; I650-W837 HydrophobicContact CG2-CZ3 3.71Å; D651-W837 HydrophobicContact CB-CE3 4.01Å; D651-W837 HydrophobicContact CB-CZ3 4.21Å; F653-W837 HydrophobicContact CE1-CB 4.12Å; F653-W837 VanDerWaalsContact CZ-O 3.29Å; F653-W837 WeakPolarHBondContact CZ-O 3.39Å; L791-W837 HydrophobicContact CD2-CD2 3.9Å; L791-W837 HydrophobicContact CD2-CE3 3.39Å; L791-W837 HydrophobicContact CD2-CH2 3.79Å; L791-W837 HydrophobicContact CD2-CZ2 4.24Å; L791-W837 HydrophobicContact CD2-CZ3 3.34Å; L795-W837 HydrophobicContact CD2-CZ2 4.39Å; H831-W837 PolarHBondContact ND1-O 2.82Å; A833-W837 PolarHBondContact O-NE1 3.36Å; S835-W837 PolarHBondContact O-N 3.41Å; W837-K839 VanDerWaalsContact C-N 3.29Å; W837-K839 PolarHBondContact O-N 2.91Å
838	R	88.3	Confident	90.5	Very high	121 Å²	121	32.2 Å²	32.2	46%	0.457	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-26.7	176.7	-65.3	175.9	171.5	-89.7	2.1	113.8	D651 T652 F653 Y787 E836 C840	D651-R838 IonicContact OD1-CZ 3.97Å; D651-R838 IonicContact OD1-NE 2.92Å; D651-R838 PolarHBondContact OD1-NE 3.36Å; D651-R838 VanDerWaalsContact OD1-NE 3.12Å; D651-R838 IonicContact OD1-NH2 3.76Å; D651-R838 PolarHBondContact OD1-NH2 2.93Å; D651-R838 IonicContact OD2-CZ 3.6Å; D651-R838 IonicContact OD2-NE 2.97Å; D651-R838 PolarHBondContact OD2-NE 2.79Å; D651-R838 VanDerWaalsContact OD2-NE 3.12Å; D651-R838 IonicContact OD2-NH2 3.52Å; T652-R838 VanDerWaalsContact O-CZ 3.27Å; T652-R838 PolarHBondContact O-NH1 3Å; T652-R838 VanDerWaalsContact O-NH1 3.09Å; T652-R838 PolarHBondContact O-NH2 3.28Å; F653-R838 HydrophobicContact CB-CB 4.46Å; F653-R838 HydrophobicContact CB-CG 3.82Å; F653-R838 HydrophobicContact CD1-CG 3.94Å; F653-R838 HydrophobicContact CG-CB 4.45Å; F653-R838 HydrophobicContact CG-CG 3.97Å; Y787-R838 WeakPolarHBondContact OH-CD 3.48Å; Y787-R838 WeakPolarHBondContact OH-CG 3.4Å; E836-R838 PolarHBondContact O-N 3.49Å; R838-C840 PolarHBondContact O-N 3.39Å
839	K	86.1	Confident	90.6	Very high	114 Å²	114	32.6 Å²	32.6	50%	0.496	16%	0.158	S	C	.	.	S	Bend	trans	-83.8	112.4	-177.8	-175.7	-179.6	175.8	177.7	0	109.6	H831 E836 W837 L841	H831-K839 PolarHBondContact ND1-O 3.19Å; E836-K839 HydrophobicContact CB-CB 4.07Å; E836-K839 HydrophobicContact CB-CD 4.4Å; E836-K839 WeakPolarHBondContact O-CB 3.35Å; E836-K839 PolarHBondContact O-N 2.62Å; E836-K839 WeakPolarHBondContact OE2-CD 3.3Å; E836-K839 IonicContact OE2-NZ 3.37Å; E836-K839 PolarHBondContact OE2-NZ 3.06Å; W837-K839 VanDerWaalsContact C-N 3.29Å; W837-K839 PolarHBondContact O-N 2.91Å; K839-L841 PolarHBondContact O-N 3.01Å
840	C	88.9	Confident	90.8	Very high	45 Å²	45	32 Å²	32	30%	0.304	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	122.6	168.4	-164.1	0	0	0	0	108.7	H831 R838 V842 T843	H831-C840 VanDerWaalsContact CE1-CA 3.45Å; H831-C840 WeakPolarHBondContact CE1-CA 3.32Å; H831-C840 PolarHBondContact CE1-N 3.04Å; H831-C840 PolarHBondContact NE2-SG 3.32Å; H831-C840 VanDerWaalsContact NE2-SG 3.42Å; R838-C840 PolarHBondContact O-N 3.39Å; C840-V842 PolarHBondContact SG-O 2.83Å; C840-T843 PolarHBondContact SG-OG1 2.84Å; C840-T843 VanDerWaalsContact SG-OG1 3.34Å
841	L	88.5	Confident	90.9	Very high	51 Å²	51	33.1 Å²	33.1	27%	0.267	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-45.2	176.8	-59.5	178.6	0	0	0	110.4	A813 T814 T818 I830 K839	A813-L841 HydrophobicContact CB-CD1 4.11Å; A813-L841 HydrophobicContact CB-CD2 3.93Å; T814-L841 HydrophobicContact CG2-CD1 4.37Å; T818-L841 HydrophobicContact CG2-CD1 4.19Å; I830-L841 WeakPolarHBondContact O-CA 3.41Å; I830-L841 VanDerWaalsContact O-CB 3.31Å; I830-L841 WeakPolarHBondContact O-CB 3.33Å; I830-L841 PolarHBondContact O-N 3.04Å; K839-L841 PolarHBondContact O-N 3.01Å
842	V	89	Confident	91.1	Very high	21 Å²	21	33.6 Å²	33.6	13%	0.127	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	137.3	-177.1	-178.1	0	0	0	0	109.3	V716 I830 C840 V844 M882	V716-V842 HydrophobicContact CG2-CG1 3.91Å; I830-V842 HydrophobicContact CB-CB 4.28Å; I830-V842 HydrophobicContact CD1-CB 4.22Å; I830-V842 PolarHBondContact N-O 3.1Å; I830-V842 PolarHBondContact O-N 3.33Å; C840-V842 PolarHBondContact SG-O 2.83Å; V842-V844 HydrophobicContact CG1-CG2 3.83Å; V842-M882 HydrophobicContact CB-CE 4.23Å; V842-M882 HydrophobicContact CG1-CE 4.37Å; V842-M882 HydrophobicContact CG1-SD 4.04Å; V842-M882 HydrophobicContact CG2-CE 3.82Å; V842-M882 HydrophobicContact CG2-CG 4.21Å; V842-M882 HydrophobicContact CG2-SD 4.29Å
843	T	92.3	Very high	91.5	Very high	26 Å²	26	34.1 Å²	34.1	16%	0.16	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.7	166.6	-61.4	0	0	0	0	108.7	V716 H827 L828 Y829 C840	V716-T843 WeakPolarHBondContact CA-O 3.41Å; V716-T843 WeakPolarHBondContact CB-O 3.38Å; V716-T843 PolarHBondContact N-O 3.38Å; H827-T843 HydrophobicContact CB-CG2 4.47Å; L828-T843 CarbonylContact O-C 3.51Å; L828-T843 WeakPolarHBondContact O-CA 3.35Å; Y829-T843 HydrophobicContact CD1-CG2 3.83Å; Y829-T843 WeakPolarHBondContact CD1-OG1 3.27Å; Y829-T843 HydrophobicContact CE1-CG2 3.62Å; C840-T843 PolarHBondContact SG-OG1 2.84Å; C840-T843 VanDerWaalsContact SG-OG1 3.34Å
844	V	93.3	Very high	91.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.4	177.1	-173.4	0	0	0	0	110.5	L708 V716 H827 L828 V842 L846 F872	L708-V844 HydrophobicContact CD1-CG1 3.81Å; L708-V844 HydrophobicContact CD1-CG2 4.43Å; L708-V844 HydrophobicContact CD2-CG1 3.76Å; L708-V844 HydrophobicContact CG-CG1 4.46Å; V716-V844 HydrophobicContact CB-CG2 4.37Å; V716-V844 CarbonylContact O-C 3.52Å; V716-V844 VanDerWaalsContact O-CA 3.23Å; V716-V844 WeakPolarHBondContact O-CA 3.35Å; H827-V844 CarbonylContact C-O 3.45Å; H827-V844 WeakPolarHBondContact CA-O 3.34Å; L828-V844 HydrophobicContact CB-CB 4.25Å; L828-V844 PolarHBondContact N-O 2.75Å; L828-V844 PolarHBondContact O-N 2.92Å; V842-V844 HydrophobicContact CG1-CG2 3.83Å; V844-L846 HydrophobicContact CG1-CD2 4.03Å; V844-L846 HydrophobicContact CG1-CG 4.47Å; V844-F872 HydrophobicContact CG1-CE1 4.38Å; V844-F872 HydrophobicContact CG1-CZ 4.18Å; V844-F872 HydrophobicContact CG2-CE1 4.28Å
845	Q	93.9	Very high	92.3	Very high	65 Å²	65	36.1 Å²	36.1	30%	0.304	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	110.1	170.9	-179.3	64.2	53.6	0	0	110.2	V716 C718 G825 H827	V716-Q845 PolarHBondContact O-N 2.92Å; C718-Q845 PolarHBondContact SG-O 3.38Å; G825-Q845 PolarHBondContact O-NE2 2.94Å; H827-Q845 PolarHBondContact CE1-OE1 3.4Å; H827-Q845 PolarHBondContact ND1-OE1 3.44Å; H827-Q845 VanDerWaalsContact ND1-OE1 3.12Å; H827-Q845 PolarHBondContact NE2-OE1 2.98Å
846	L	95	Very high	92.8	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.026	18%	0.18	C	C	.	.			trans	-91.6	169.8	174	-59.8	175.8	0	0	0	110.9	G826 L828 V844 D848 V850 L864 A870 F872 Y885	G826-L846 WeakPolarHBondContact O-CB 3.34Å; G826-L846 PolarHBondContact O-N 3.34Å; L828-L846 HydrophobicContact CB-CD1 4.11Å; L828-L846 HydrophobicContact CD2-CD1 4.25Å; V844-L846 HydrophobicContact CG1-CD2 4.03Å; V844-L846 HydrophobicContact CG1-CG 4.47Å; L846-D848 VanDerWaalsContact C-N 3.32Å; L846-D848 PolarHBondContact O-N 3.27Å; L846-V850 HydrophobicContact CD1-CG2 3.78Å; L846-L864 HydrophobicContact CB-CD1 4.37Å; L846-L864 HydrophobicContact CB-CD2 4.35Å; L846-L864 HydrophobicContact CD1-CD2 3.9Å; L846-A870 HydrophobicContact CD1-CB 4.33Å; L846-A870 HydrophobicContact CD2-CB 4.12Å; L846-F872 HydrophobicContact CD2-CZ 4.13Å; L846-Y885 HydrophobicContact CD2-CD1 4.23Å; L846-Y885 HydrophobicContact CD2-CE1 3.6Å; L846-Y885 HydrophobicContact CD2-CE2 4.2Å
847	E	92.8	Very high	93.2	Very high	91 Å²	91	38 Å²	38	43%	0.425	18%	0.183	S	C	.	.	S	Bend	trans	-68.9	-26.2	-174.6	-63.8	-173.1	153.2	0	0	114	R704 N866 Q887	R704-E847 IonicContact CZ-OE1 2.82Å; R704-E847 IonicContact NH2-OE1 2.79Å; R704-E847 PolarHBondContact NH2-OE1 2.85Å; R704-E847 IonicContact NH2-OE2 3.59Å; R704-E847 PolarHBondContact NH2-OE2 3.06Å; E847-N866 PolarHBondContact OE2-ND2 3.08Å; E847-N866 VanDerWaalsContact OE2-ND2 3.17Å; E847-Q887 PolarHBondContact OE2-NE2 3.36Å; E847-Q887 PolarHBondContact OE2-OE1 2.73Å
848	D	96.2	Very high	93.3	Very high	45 Å²	45	39 Å²	39	24%	0.241	19%	0.189	C	C	.	.	S	Bend	trans	-155.8	176.1	-176.9	-154.4	-16.1	0	0	0	111.3	G826 L846 A865 N866	G826-D848 WeakPolarHBondContact CA-O 3.27Å; L846-D848 VanDerWaalsContact C-N 3.32Å; L846-D848 PolarHBondContact O-N 3.27Å; D848-A865 HydrophobicContact CB-CB 4.5Å; D848-N866 HydrophobicContact CB-CB 3.87Å; D848-N866 WeakPolarHBondContact OD2-CB 3.23Å; D848-N866 PolarHBondContact OD2-N 2.97Å
849	S	98	Very high	93.5	Very high	7 Å²	7	33.8 Å²	33.8	5%	0.049	17%	0.17	C	C	.	.			trans	-49.6	133.6	178.3	-55.3	0	0	0	0	112.4	Q824 L864 A865	Q824-S849 PolarHBondContact O-OG 3.24Å; S849-L864 WeakPolarHBondContact O-CA 3.5Å; S849-A865 PolarHBondContact O-N 3.33Å
850	V	98.3	Very high	94	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.5	178.7	-170.6	0	0	0	0	110.1	C662 S823 L846 I853 A862 L864	C662-V850 PolarHBondContact SG-O 3.34Å; C662-V850 VanDerWaalsContact SG-O 3.4Å; S823-V850 PolarHBondContact O-N 3.35Å; S823-V850 VanDerWaalsContact O-N 3.1Å; L846-V850 HydrophobicContact CD1-CG2 3.78Å; V850-I853 HydrophobicContact CG1-CD1 4.11Å; V850-I853 HydrophobicContact CG1-CG1 3.86Å; V850-A862 HydrophobicContact CG1-CB 4.11Å; V850-L864 HydrophobicContact CB-CD2 4.33Å; V850-L864 HydrophobicContact CG1-CD2 4.47Å; V850-L864 HydrophobicContact CG2-CD2 3.84Å
851	L	97.9	Very high	94.5	Very high	24 Å²	24	26.2 Å²	26.2	13%	0.126	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-19.9	-169.1	-59.1	-179.2	0	0	0	114.6	L661 A863 A865 S896	L661-L851 HydrophobicContact CD1-CD2 3.83Å; L851-A863 PolarHBondContact N-O 2.98Å; L851-A865 HydrophobicContact CD1-CB 4.03Å; L851-A865 HydrophobicContact CG-CB 4.43Å; L851-S896 VanDerWaalsContact CD1-CB 3.45Å
852	G	97.7	Very high	94.9	Very high	11 Å²	11	23.8 Å²	23.8	11%	0.113	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	144.6	176.7	0	0	0	0	0	111.4	A862 A863	G852-A862 CarbonylContact O-C 3.6Å; G852-A862 WeakPolarHBondContact O-CA 3.16Å; G852-A863 PolarHBondContact O-N 3.37Å
853	I	98.5	Very high	95.4	Very high	14 Å²	14	22.8 Å²	22.8	7%	0.072	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.5	-179.3	-57.9	161.8	0	0	0	108	C664 W820 L828 V850 V860 F861 A862	C664-I853 HydrophobicContact CB-CB 3.67Å; C664-I853 HydrophobicContact CB-CG2 3.67Å; C664-I853 WeakPolarHBondContact CB-O 3.21Å; C664-I853 PolarHBondContact SG-O 2.91Å; C664-I853 VanDerWaalsContact SG-O 3.4Å; W820-I853 HydrophobicContact CB-CD1 4.28Å; W820-I853 HydrophobicContact CB-CG2 4.33Å; L828-I853 HydrophobicContact CD1-CD1 3.54Å; L828-I853 HydrophobicContact CD1-CG1 4.37Å; V850-I853 HydrophobicContact CG1-CD1 4.11Å; V850-I853 HydrophobicContact CG1-CG1 3.86Å; I853-V860 HydrophobicContact CG2-CG1 3.59Å; I853-F861 CarbonylContact C-O 3.54Å; I853-F861 VanDerWaalsContact CA-O 3.29Å; I853-F861 WeakPolarHBondContact CA-O 3.41Å; I853-A862 HydrophobicContact CG1-CB 4.21Å
854	V	97.3	Very high	95.7	Very high	24 Å²	24	21.6 Å²	21.6	15%	0.145	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.4	173.1	-64.1	0	0	0	0	111.1	V860 F861 L900 V902 L907	V854-V860 WeakPolarHBondContact O-CA 3.49Å; V854-F861 HydrophobicContact CG2-CB 4.07Å; V854-F861 PolarHBondContact N-O 3.24Å; V854-F861 PolarHBondContact O-N 3.15Å; V854-L900 HydrophobicContact CB-CB 4.43Å; V854-L900 HydrophobicContact CG1-CB 3.91Å; V854-L900 WeakPolarHBondContact CG1-O 3.39Å; V854-L900 HydrophobicContact CG2-CB 3.64Å; V854-L900 HydrophobicContact CG2-CD1 3.98Å; V854-L900 HydrophobicContact CG2-CG 4.44Å; V854-V902 HydrophobicContact CB-CG2 4.46Å; V854-V902 HydrophobicContact CG2-CG2 4.35Å; V854-L907 HydrophobicContact CG2-CD1 3.62Å
855	Q	95.2	Very high	95.9	Very high	22 Å²	22	22.2 Å²	22.2	10%	0.103	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.9	171.7	-175.8	-172	6.6	0	0	110.3	V666 R857 R859 V860	V666-Q855 HydrophobicContact CG1-CG 4.31Å; Q855-R857 WeakPolarHBondContact CG-O 3.49Å; Q855-R857 PolarHBondContact NE2-O 3.42Å; Q855-R859 WeakPolarHBondContact CA-O 3.35Å; Q855-V860 HydrophobicContact CB-CG2 4.29Å; Q855-V860 HydrophobicContact CG-CG2 4.25Å
856	Y	93.1	Very high	96	Very high	19 Å²	19	20.1 Å²	20.1	8%	0.075	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	109.2	164.1	179.9	-90.8	0	0	0	108.8	S858 R859 V902 P920 E921	Y856-S858 PolarHBondContact O-N 3.11Å; Y856-R859 PolarHBondContact N-O 3.21Å; Y856-R859 PolarHBondContact O-N 3.1Å; Y856-V902 HydrophobicContact CD2-CG1 3.63Å; Y856-V902 HydrophobicContact CD2-CG2 4.25Å; Y856-V902 HydrophobicContact CE2-CG1 4.15Å; Y856-P920 HydrophobicContact CD1-CB 3.47Å; Y856-P920 VanDerWaalsContact CD1-CB 3.47Å; Y856-P920 HydrophobicContact CD1-CG 3.48Å; Y856-P920 VanDerWaalsContact CD1-CG 3.48Å; Y856-P920 HydrophobicContact CD2-CB 4.39Å; Y856-P920 HydrophobicContact CD2-CG 3.98Å; Y856-P920 HydrophobicContact CE1-CB 3.82Å; Y856-P920 HydrophobicContact CE1-CG 3.31Å; Y856-P920 HydrophobicContact CE2-CG 3.84Å; Y856-P920 HydrophobicContact CG-CB 3.77Å; Y856-P920 HydrophobicContact CG-CG 3.81Å; Y856-P920 VanDerWaalsContact CZ-CG 3.49Å; Y856-E921 HydrophobicContact CE1-CG 4.06Å; Y856-E921 PolarHBondContact OH-OE1 3.2Å
857	R	89	Confident	96	Very high	93 Å²	93	19.9 Å²	19.9	35%	0.351	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	-128.6	-176.2	-56.1	178.7	175.9	-172.9	-11	110.4	E673 Q855 R859 E921	E673-R857 WeakPolarHBondContact OE1-CA 3.26Å; Q855-R857 WeakPolarHBondContact CG-O 3.49Å; Q855-R857 PolarHBondContact NE2-O 3.42Å; R857-R859 PolarHBondContact O-N 2.84Å; R857-R859 VanDerWaalsContact O-N 3.16Å; R857-E921 IonicContact CZ-OE1 3.76Å; R857-E921 IonicContact NE-OE1 3.62Å; R857-E921 IonicContact NH1-OE1 2.66Å; R857-E921 PolarHBondContact NH1-OE1 3.44Å
858	S	89.8	Confident	96.2	Very high	20 Å²	20	15.9 Å²	15.9	14%	0.14	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	19.1	178.2	-47.7	0	0	0	0	115.2	E673 Y856 C873 R874 W880	E673-S858 VanDerWaalsContact CB-OG 3.27Å; E673-S858 WeakPolarHBondContact CB-OG 3.32Å; E673-S858 VanDerWaalsContact CG-OG 3.27Å; E673-S858 WeakPolarHBondContact CG-OG 3.01Å; E673-S858 PolarHBondContact OE1-N 2.6Å; E673-S858 WeakPolarHBondContact OE2-CA 3.31Å; E673-S858 WeakPolarHBondContact OE2-CB 3.21Å; E673-S858 PolarHBondContact OE2-OG 3.44Å; Y856-S858 PolarHBondContact O-N 3.11Å; S858-C873 WeakPolarHBondContact O-CA 3.36Å; S858-R874 PolarHBondContact O-N 3.14Å; S858-W880 WeakPolarHBondContact O-CZ3 3.17Å
859	R	93.2	Very high	96.3	Very high	12 Å²	12	13.8 Å²	13.8	5%	0.045	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.8	178.6	-63.4	-175.9	-179.8	-179.4	-0.3	111.8	Q855 Y856 R857 F861 I871 F872 P920 E921 L923	Q855-R859 WeakPolarHBondContact CA-O 3.35Å; Y856-R859 PolarHBondContact N-O 3.21Å; Y856-R859 PolarHBondContact O-N 3.1Å; R857-R859 PolarHBondContact O-N 2.84Å; R857-R859 VanDerWaalsContact O-N 3.16Å; R859-F861 HydrophobicContact CB-CD2 4.37Å; R859-F861 HydrophobicContact CB-CE2 3.58Å; R859-F861 HydrophobicContact CB-CZ 4.06Å; R859-I871 HydrophobicContact CB-CG2 4.46Å; R859-F872 CarbonylContact C-O 3.51Å; R859-F872 WeakPolarHBondContact CA-O 3.32Å; R859-P920 WeakPolarHBondContact CD-O 3.34Å; R859-P920 PolarHBondContact NH1-O 3.14Å; R859-E921 PolarHBondContact NH1-O 3.49Å; R859-E921 PolarHBondContact NH2-O 2.94Å; R859-E921 VanDerWaalsContact NH2-O 3.16Å; R859-L923 VanDerWaalsContact NH1-CD2 3.34Å
860	V	96.5	Very high	96.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.3	170.7	172.8	0	0	0	0	108.8	V666 W820 I853 V854 Q855 I871 F872 W880	V666-V860 HydrophobicContact CG1-CG2 3.88Å; V666-V860 HydrophobicContact CG2-CG2 3.98Å; W820-V860 HydrophobicContact CD2-CG1 4.15Å; W820-V860 HydrophobicContact CE3-CB 4.33Å; W820-V860 HydrophobicContact CE3-CG1 3.59Å; W820-V860 HydrophobicContact CH2-CB 4.05Å; W820-V860 HydrophobicContact CH2-CG1 4.2Å; W820-V860 HydrophobicContact CH2-CG2 4.22Å; W820-V860 HydrophobicContact CZ2-CB 4.48Å; W820-V860 HydrophobicContact CZ2-CG2 4.16Å; W820-V860 HydrophobicContact CZ3-CB 3.96Å; W820-V860 HydrophobicContact CZ3-CG1 3.63Å; W820-V860 HydrophobicContact CZ3-CG2 4.45Å; I853-V860 HydrophobicContact CG2-CG1 3.59Å; V854-V860 WeakPolarHBondContact O-CA 3.49Å; Q855-V860 HydrophobicContact CB-CG2 4.29Å; Q855-V860 HydrophobicContact CG-CG2 4.25Å; V860-I871 CarbonylContact O-C 3.6Å; V860-I871 WeakPolarHBondContact O-CA 3.35Å; V860-F872 HydrophobicContact CB-CB 4.43Å; V860-F872 PolarHBondContact N-O 3.31Å; V860-F872 PolarHBondContact O-N 2.86Å; V860-W880 HydrophobicContact CB-CH2 4.45Å; V860-W880 HydrophobicContact CB-CZ3 4.5Å; V860-W880 HydrophobicContact CG2-CH2 3.5Å; V860-W880 VanDerWaalsContact CG2-CH2 3.5Å; V860-W880 HydrophobicContact CG2-CZ2 3.77Å; V860-W880 HydrophobicContact CG2-CZ3 3.97Å
861	F	98.2	Very high	96.2	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.8	-178.9	-62.4	-101.6	0	0	0	108.9	I853 V854 R859 I869 A870 I871 L900 L907 P920 L923	I853-F861 CarbonylContact C-O 3.54Å; I853-F861 VanDerWaalsContact CA-O 3.29Å; I853-F861 WeakPolarHBondContact CA-O 3.41Å; V854-F861 HydrophobicContact CG2-CB 4.07Å; V854-F861 PolarHBondContact N-O 3.24Å; V854-F861 PolarHBondContact O-N 3.15Å; R859-F861 HydrophobicContact CB-CD2 4.37Å; R859-F861 HydrophobicContact CB-CE2 3.58Å; R859-F861 HydrophobicContact CB-CZ 4.06Å; F861-I869 HydrophobicContact CB-CG2 4Å; F861-I869 HydrophobicContact CD1-CG2 4.04Å; F861-A870 CarbonylContact C-O 3.56Å; F861-A870 WeakPolarHBondContact CA-O 3.32Å; F861-I871 HydrophobicContact CD1-CB 4.43Å; F861-I871 HydrophobicContact CD1-CD1 4.2Å; F861-I871 HydrophobicContact CD1-CG1 3.68Å; F861-I871 HydrophobicContact CD1-CG2 4.09Å; F861-I871 HydrophobicContact CE1-CB 4.47Å; F861-I871 HydrophobicContact CE1-CD1 3.99Å; F861-I871 HydrophobicContact CE1-CG1 3.87Å; F861-I871 HydrophobicContact CE1-CG2 3.8Å; F861-I871 HydrophobicContact CZ-CG2 4.07Å; F861-L900 HydrophobicContact CB-CD1 3.86Å; F861-L900 WeakPolarHBondContact O-CD1 3.09Å; F861-L907 HydrophobicContact CB-CD2 4.2Å; F861-L907 HydrophobicContact CD1-CD2 3.39Å; F861-L907 HydrophobicContact CD2-CD2 4.27Å; F861-L907 HydrophobicContact CE1-CD2 3.76Å; F861-L907 HydrophobicContact CG-CD2 3.7Å; F861-L907 HydrophobicContact CZ-CD2 4.34Å; F861-P920 HydrophobicContact CE2-CB 4.14Å; F861-P920 HydrophobicContact CZ-CB 3.78Å; F861-L923 HydrophobicContact CE1-CD2 3.77Å; F861-L923 HydrophobicContact CZ-CD2 4.1Å
862	A	98.4	Very high	96	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.6	177.5	0	0	0	0	0	109.6	V850 G852 I853 I869 A870	V850-A862 HydrophobicContact CG1-CB 4.11Å; G852-A862 CarbonylContact O-C 3.6Å; G852-A862 WeakPolarHBondContact O-CA 3.16Å; I853-A862 HydrophobicContact CG1-CB 4.21Å; A862-I869 CarbonylContact O-C 3.55Å; A862-I869 WeakPolarHBondContact O-CA 3.34Å; A862-A870 HydrophobicContact CB-CB 4.38Å; A862-A870 PolarHBondContact N-O 3.41Å; A862-A870 PolarHBondContact O-N 2.88Å
863	A	98.5	Very high	95.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.5	178.3	0	0	0	0	0	111.3	L851 G852 V897 L900	L851-A863 PolarHBondContact N-O 2.98Å; G852-A863 PolarHBondContact O-N 3.37Å; A863-V897 HydrophobicContact CB-CB 3.89Å; A863-V897 HydrophobicContact CB-CG1 3.63Å; A863-V897 WeakPolarHBondContact CB-O 3.35Å; A863-L900 HydrophobicContact CB-CD1 3.73Å; A863-L900 HydrophobicContact CB-CD2 4.13Å; A863-L900 HydrophobicContact CB-CG 3.7Å
864	L	98.5	Very high	95.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	155.7	-175.9	-56.1	-175.1	0	0	0	112.2	L846 S849 V850 N866 T868 A870 V897	L846-L864 HydrophobicContact CB-CD1 4.37Å; L846-L864 HydrophobicContact CB-CD2 4.35Å; L846-L864 HydrophobicContact CD1-CD2 3.9Å; S849-L864 WeakPolarHBondContact O-CA 3.5Å; V850-L864 HydrophobicContact CB-CD2 4.33Å; V850-L864 HydrophobicContact CG1-CD2 4.47Å; V850-L864 HydrophobicContact CG2-CD2 3.84Å; L864-N866 VanDerWaalsContact CB-OD1 3.24Å; L864-N866 WeakPolarHBondContact CB-OD1 3.45Å; L864-N866 PolarHBondContact O-N 3.29Å; L864-T868 WeakPolarHBondContact CB-O 3.49Å; L864-T868 PolarHBondContact N-O 2.92Å; L864-A870 HydrophobicContact CD1-CB 4.38Å; L864-V897 PolarHBondContact O-N 2.99Å
865	A	97.3	Very high	94.6	Very high	13 Å²	13	14.6 Å²	14.6	11%	0.107	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.3	176.9	0	0	0	0	0	114	D848 S849 L851 G867 C895 S896	D848-A865 HydrophobicContact CB-CB 4.5Å; S849-A865 PolarHBondContact O-N 3.33Å; L851-A865 HydrophobicContact CD1-CB 4.03Å; L851-A865 HydrophobicContact CG-CB 4.43Å; A865-G867 VanDerWaalsContact C-N 3.32Å; A865-G867 PolarHBondContact O-N 3.23Å; A865-C895 CarbonylContact O-C 3.56Å; A865-C895 VanDerWaalsContact O-C 3.29Å; A865-S896 WeakPolarHBondContact O-CA 3.43Å; A865-S896 PolarHBondContact O-N 2.8Å
866	N	95.8	Very high	94	Very high	21 Å²	21	20.6 Å²	20.6	11%	0.112	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	22.8	179.3	72.6	-6.5	0	0	0	114.5	E847 D848 L864 T868 P893	E847-N866 PolarHBondContact OE2-ND2 3.08Å; E847-N866 VanDerWaalsContact OE2-ND2 3.17Å; D848-N866 HydrophobicContact CB-CB 3.87Å; D848-N866 WeakPolarHBondContact OD2-CB 3.23Å; D848-N866 PolarHBondContact OD2-N 2.97Å; L864-N866 VanDerWaalsContact CB-OD1 3.24Å; L864-N866 WeakPolarHBondContact CB-OD1 3.45Å; L864-N866 PolarHBondContact O-N 3.29Å; N866-T868 VanDerWaalsContact C-N 3.27Å; N866-T868 PolarHBondContact O-N 3.08Å; N866-T868 PolarHBondContact OD1-N 3.36Å; N866-T868 PolarHBondContact OD1-OG1 3.34Å; N866-P893 WeakPolarHBondContact CA-O 3.41Å; N866-P893 WeakPolarHBondContact O-CA 3.48Å
867	G	95.9	Very high	93.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	74.5	14.3	176.4	0	0	0	0	0	115.1	A865 V890 G891 C895	A865-G867 VanDerWaalsContact C-N 3.32Å; A865-G867 PolarHBondContact O-N 3.23Å; G867-V890 WeakPolarHBondContact O-CB 3.22Å; G867-V890 PolarHBondContact O-N 2.74Å; G867-G891 PolarHBondContact O-N 2.7Å; G867-G891 VanDerWaalsContact O-N 3.14Å; G867-C895 WeakPolarHBondContact CA-O 3.25Å; G867-C895 PolarHBondContact N-O 2.91Å
868	T	97.4	Very high	93.2	Very high	8 Å²	8	18.6 Å²	18.6	5%	0.049	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	165	179.5	75	0	0	0	0	113	L864 N866 Q887 L888	L864-T868 WeakPolarHBondContact CB-O 3.49Å; L864-T868 PolarHBondContact N-O 2.92Å; N866-T868 VanDerWaalsContact C-N 3.27Å; N866-T868 PolarHBondContact O-N 3.08Å; N866-T868 PolarHBondContact OD1-N 3.36Å; N866-T868 PolarHBondContact OD1-OG1 3.34Å; T868-Q887 HydrophobicContact CG2-CG 4.34Å; T868-L888 CarbonylContact C-O 3.54Å; T868-L888 VanDerWaalsContact CA-O 3.25Å; T868-L888 WeakPolarHBondContact CA-O 3.32Å; T868-L888 WeakPolarHBondContact CB-O 3.5Å
869	I	98.1	Very high	93	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.8	173.8	-59.4	172.3	0	0	0	108.3	F861 A862 I871 Q887 L888 V890 V897 L900 C909 L918	F861-I869 HydrophobicContact CB-CG2 4Å; F861-I869 HydrophobicContact CD1-CG2 4.04Å; A862-I869 CarbonylContact O-C 3.55Å; A862-I869 WeakPolarHBondContact O-CA 3.34Å; I869-I871 HydrophobicContact CG2-CG1 4.07Å; I869-Q887 WeakPolarHBondContact O-CA 3.36Å; I869-L888 HydrophobicContact CB-CB 4.48Å; I869-L888 PolarHBondContact N-O 3.35Å; I869-L888 PolarHBondContact O-N 2.89Å; I869-V890 HydrophobicContact CD1-CG2 3.62Å; I869-V890 HydrophobicContact CG1-CG2 3.87Å; I869-V897 HydrophobicContact CD1-CG1 4.24Å; I869-V897 HydrophobicContact CG1-CG1 4.1Å; I869-V897 HydrophobicContact CG1-CG2 4.26Å; I869-L900 HydrophobicContact CD1-CD2 3.85Å; I869-L900 HydrophobicContact CG1-CD2 4.47Å; I869-C909 HydrophobicContact CD1-CB 4.33Å; I869-L918 HydrophobicContact CD1-CD1 3.73Å
870	A	97.3	Very high	92.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.2	171.1	0	0	0	0	0	110.2	L846 F861 A862 L864 F872 Y885 Y886	L846-A870 HydrophobicContact CD1-CB 4.33Å; L846-A870 HydrophobicContact CD2-CB 4.12Å; F861-A870 CarbonylContact C-O 3.56Å; F861-A870 WeakPolarHBondContact CA-O 3.32Å; A862-A870 HydrophobicContact CB-CB 4.38Å; A862-A870 PolarHBondContact N-O 3.41Å; A862-A870 PolarHBondContact O-N 2.88Å; L864-A870 HydrophobicContact CD1-CB 4.38Å; A870-F872 HydrophobicContact CB-CE2 4.15Å; A870-Y885 HydrophobicContact CB-CD2 3.61Å; A870-Y885 HydrophobicContact CB-CE2 3.66Å; A870-Y885 HydrophobicContact CB-CG 4.41Å; A870-Y886 CarbonylContact C-O 3.52Å
871	I	96	Very high	92.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	111.7	-169.8	-49.9	161.8	0	0	0	109.1	R859 V860 F861 I869 Y885 Y886 L888 L923	R859-I871 HydrophobicContact CB-CG2 4.46Å; V860-I871 CarbonylContact O-C 3.6Å; V860-I871 WeakPolarHBondContact O-CA 3.35Å; F861-I871 HydrophobicContact CD1-CB 4.43Å; F861-I871 HydrophobicContact CD1-CD1 4.2Å; F861-I871 HydrophobicContact CD1-CG1 3.68Å; F861-I871 HydrophobicContact CD1-CG2 4.09Å; F861-I871 HydrophobicContact CE1-CB 4.47Å; F861-I871 HydrophobicContact CE1-CD1 3.99Å; F861-I871 HydrophobicContact CE1-CG1 3.87Å; F861-I871 HydrophobicContact CE1-CG2 3.8Å; F861-I871 HydrophobicContact CZ-CG2 4.07Å; I869-I871 HydrophobicContact CG2-CG1 4.07Å; I871-Y885 WeakPolarHBondContact O-CA 3.49Å; I871-Y885 WeakPolarHBondContact O-CB 3.27Å; I871-Y886 PolarHBondContact N-O 3.39Å; I871-Y886 PolarHBondContact O-N 2.95Å; I871-L888 HydrophobicContact CD1-CB 3.88Å; I871-L923 HydrophobicContact CD1-CD1 3.82Å; I871-L923 HydrophobicContact CD1-CD2 3.75Å; I871-L923 HydrophobicContact CD1-CG 4.36Å
872	F	94.5	Very high	91.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141.8	177.5	-63.8	-96.6	0	0	0	109.7	L708 W820 L828 V844 L846 R859 V860 A870 Y885	L708-F872 HydrophobicContact CD1-CE1 4.31Å; W820-F872 HydrophobicContact CH2-CB 3.78Å; W820-F872 HydrophobicContact CH2-CD1 4.34Å; W820-F872 HydrophobicContact CH2-CD2 4.28Å; W820-F872 AromaticContact CH2-CG 3.88Å; W820-F872 HydrophobicContact CH2-CG 3.88Å; W820-F872 HydrophobicContact CZ3-CB 4.09Å; W820-F872 HydrophobicContact CZ3-CD1 4.4Å; W820-F872 AromaticContact CZ3-CD2 3.74Å; W820-F872 HydrophobicContact CZ3-CD2 3.74Å; W820-F872 HydrophobicContact CZ3-CE2 4.26Å; W820-F872 AromaticContact CZ3-CG 3.81Å; W820-F872 HydrophobicContact CZ3-CG 3.81Å; L828-F872 HydrophobicContact CD2-CD2 4.32Å; L828-F872 HydrophobicContact CD2-CE2 3.53Å; L828-F872 HydrophobicContact CD2-CZ 3.66Å; V844-F872 HydrophobicContact CG1-CE1 4.38Å; V844-F872 HydrophobicContact CG1-CZ 4.18Å; V844-F872 HydrophobicContact CG2-CE1 4.28Å; L846-F872 HydrophobicContact CD2-CZ 4.13Å; R859-F872 CarbonylContact C-O 3.51Å; R859-F872 WeakPolarHBondContact CA-O 3.32Å; V860-F872 HydrophobicContact CB-CB 4.43Å; V860-F872 PolarHBondContact N-O 3.31Å; V860-F872 PolarHBondContact O-N 2.86Å; A870-F872 HydrophobicContact CB-CE2 4.15Å; F872-Y885 HydrophobicContact CE1-CD1 4.16Å; F872-Y885 HydrophobicContact CE1-CG 4.29Å; F872-Y885 HydrophobicContact CZ-CD1 4.05Å; F872-Y885 HydrophobicContact CZ-CG 4.12Å
873	C	91.6	Very high	91.2	Very high	8 Å²	8	24.3 Å²	24.3	5%	0.054	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.5	-178.3	-57.1	0	0	0	0	110.8	F680 S858 C881	F680-C873 HydrophobicContact CD2-CB 4.2Å; S858-C873 WeakPolarHBondContact O-CA 3.36Å; C873-C881 WeakPolarHBondContact O-CB 3.39Å; C873-C881 PolarHBondContact O-N 3.07Å
874	R	88.4	Confident	90.7	Very high	6 Å²	6	24.3 Å²	24.3	2%	0.023	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-72.5	147.8	165.9	-61.7	-176.2	175.7	-79.5	1.8	110.7	R667 T669 E673 T814 S858 G878 E879 W880	R667-R874 PolarHBondContact O-NH2 3.34Å; T669-R874 PolarHBondContact OG1-NE 3.48Å; T669-R874 PolarHBondContact OG1-NH1 3.3Å; E673-R874 WeakPolarHBondContact OE2-CD 3.46Å; E673-R874 IonicContact OE2-NE 3.46Å; T814-R874 PolarHBondContact O-NH1 2.98Å; S858-R874 PolarHBondContact O-N 3.14Å; R874-G878 WeakPolarHBondContact CD-O 3.43Å; R874-G878 PolarHBondContact NH1-O 3.38Å; R874-E879 CarbonylContact C-O 3.54Å; R874-E879 VanDerWaalsContact CA-O 3.24Å; R874-E879 WeakPolarHBondContact CA-O 3.39Å; R874-W880 HydrophobicContact CB-CE3 4.47Å; R874-W880 HydrophobicContact CG-CD2 3.88Å; R874-W880 HydrophobicContact CG-CE3 3.61Å; R874-W880 HydrophobicContact CG-CH2 3.69Å; R874-W880 HydrophobicContact CG-CZ2 3.99Å; R874-W880 HydrophobicContact CG-CZ3 3.53Å; R874-W880 VanDerWaalsContact CZ-CZ2 3.43Å
875	K	84.1	Confident	90.5	Very high	83 Å²	83	24.3 Å²	24.3	36%	0.361	12%	0.124	S	C	.	.			trans	-78.9	170.8	168.1	-60.1	175.5	-162.8	164.1	0	109.4	N877 G878 E879 C881	K875-N877 VanDerWaalsContact CB-OD1 3.24Å; K875-N877 WeakPolarHBondContact CB-OD1 3.47Å; K875-N877 PolarHBondContact O-N 3.31Å; K875-G878 PolarHBondContact O-N 3.07Å; K875-E879 PolarHBondContact N-O 3.15Å; K875-E879 IonicContact NZ-OE2 3.61Å; K875-C881 HydrophobicContact CG-CB 3.96Å
876	K	82.4	Confident	90.3	Very high	149 Å²	149	23.8 Å²	23.8	65%	0.648	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.7	175.6	-65.9	-171.6	176.7	-172.1	0	114.1	Y674 G878	Y674-K876 WeakPolarHBondContact CD1-O 3.27Å; Y674-K876 VanDerWaalsContact CE1-O 3.27Å; Y674-K876 WeakPolarHBondContact CE1-O 3.29Å; K876-G878 PolarHBondContact O-N 3.14Å
877	N	81.2	Confident	90.3	Very high	69 Å²	69	23 Å²	23	37%	0.369	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	5.5	176	71.7	-13.5	0	0	0	113.5	I815 K875 E879	I815-N877 WeakPolarHBondContact CD1-O 3.32Å; K875-N877 VanDerWaalsContact CB-OD1 3.24Å; K875-N877 WeakPolarHBondContact CB-OD1 3.47Å; K875-N877 PolarHBondContact O-N 3.31Å; N877-E879 VanDerWaalsContact C-N 3.3Å; N877-E879 PolarHBondContact ND2-OE2 2.99Å; N877-E879 PolarHBondContact O-N 3.2Å; N877-E879 WeakPolarHBondContact OD1-CB 3.5Å; N877-E879 PolarHBondContact OD1-N 3.05Å; N877-E879 VanDerWaalsContact OD1-N 3.08Å
878	G	84.1	Confident	90.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	12%	0.116	C	C	.	.	S	Bend	trans	83.5	-10.7	-178.8	0	0	0	0	0	115	T669 R874 K875 K876	T669-G878 PolarHBondContact OG1-O 2.92Å; R874-G878 WeakPolarHBondContact CD-O 3.43Å; R874-G878 PolarHBondContact NH1-O 3.38Å; K875-G878 PolarHBondContact O-N 3.07Å; K876-G878 PolarHBondContact O-N 3.14Å
879	E	86.3	Confident	90.2	Very high	45 Å²	45	24.1 Å²	24.1	21%	0.21	12%	0.122	C	C	.	.	S	Bend	trans	-76.3	154.9	178.4	-65	-175.6	134.8	0	0	112.6	T814 I815 R874 K875 N877	T814-E879 WeakPolarHBondContact OG1-CB 3.38Å; I815-E879 HydrophobicContact CD1-CG 4.15Å; I815-E879 HydrophobicContact CG1-CG 3.75Å; R874-E879 CarbonylContact C-O 3.54Å; R874-E879 VanDerWaalsContact CA-O 3.24Å; R874-E879 WeakPolarHBondContact CA-O 3.39Å; K875-E879 PolarHBondContact N-O 3.15Å; K875-E879 IonicContact NZ-OE2 3.61Å; N877-E879 VanDerWaalsContact C-N 3.3Å; N877-E879 PolarHBondContact ND2-OE2 2.99Å; N877-E879 PolarHBondContact O-N 3.2Å; N877-E879 WeakPolarHBondContact OD1-CB 3.5Å; N877-E879 PolarHBondContact OD1-N 3.05Å; N877-E879 VanDerWaalsContact OD1-N 3.08Å
880	W	89.9	Confident	90	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.008	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-66.4	135	171.3	-68.6	117.7	0	0	0	111.7	V666 T814 W820 S858 V860 R874 M882	V666-W880 HydrophobicContact CG1-CH2 4.38Å; V666-W880 HydrophobicContact CG1-CZ2 3.43Å; V666-W880 VanDerWaalsContact CG1-CZ2 3.43Å; T814-W880 PolarHBondContact OG1-N 3.47Å; W820-W880 HydrophobicContact CH2-CD2 4.29Å; W820-W880 HydrophobicContact CH2-CE3 4.49Å; W820-W880 HydrophobicContact CH2-CG 4.44Å; W820-W880 AromaticContact CZ2-CD1 3.73Å; W820-W880 AromaticContact CZ2-CD2 3.79Å; W820-W880 HydrophobicContact CZ2-CD2 3.79Å; W820-W880 AromaticContact CZ2-CE2 3.83Å; W820-W880 HydrophobicContact CZ2-CE3 4.38Å; W820-W880 AromaticContact CZ2-CG 3.83Å; W820-W880 HydrophobicContact CZ2-CG 3.83Å; W820-W880 AromaticContact CZ2-NE1 3.76Å; S858-W880 WeakPolarHBondContact O-CZ3 3.17Å; V860-W880 HydrophobicContact CB-CH2 4.45Å; V860-W880 HydrophobicContact CB-CZ3 4.5Å; V860-W880 HydrophobicContact CG2-CH2 3.5Å; V860-W880 VanDerWaalsContact CG2-CH2 3.5Å; V860-W880 HydrophobicContact CG2-CZ2 3.77Å; V860-W880 HydrophobicContact CG2-CZ3 3.97Å; R874-W880 HydrophobicContact CB-CE3 4.47Å; R874-W880 HydrophobicContact CG-CD2 3.88Å; R874-W880 HydrophobicContact CG-CE3 3.61Å; R874-W880 HydrophobicContact CG-CH2 3.69Å; R874-W880 HydrophobicContact CG-CZ2 3.99Å; R874-W880 HydrophobicContact CG-CZ3 3.53Å; R874-W880 VanDerWaalsContact CZ-CZ2 3.43Å; W880-M882 HydrophobicContact CB-CE 3.46Å; W880-M882 VanDerWaalsContact CB-CE 3.46Å; W880-M882 HydrophobicContact CB-SD 4.39Å; W880-M882 HydrophobicContact CG-CE 4.39Å; W880-M882 PolarHBondContact O-N 2.94Å
881	C	86.6	Confident	89.7	Confident	5 Å²	5	24.6 Å²	24.6	3%	0.034	13%	0.126	C	C	.	.			trans	-75.5	105.4	177.5	-169.7	0	0	0	0	110.6	F680 C873 K875 S883	F680-C881 HydrophobicContact CE2-CB 4.35Å; C873-C881 WeakPolarHBondContact O-CB 3.39Å; C873-C881 PolarHBondContact O-N 3.07Å; K875-C881 HydrophobicContact CG-CB 3.96Å; C881-S883 PolarHBondContact SG-OG 2.73Å
882	M	84.4	Confident	89.4	Confident	40 Å²	40	25.3 Å²	25.3	20%	0.197	13%	0.129	C	C	.	.			trans	-95.5	4.5	179.8	-57	-53.3	-179.8	0	0	114.1	T814 I830 V842 W880 G884	T814-M882 HydrophobicContact CG2-CE 4.34Å; I830-M882 HydrophobicContact CD1-CE 3.55Å; I830-M882 HydrophobicContact CD1-SD 4.35Å; V842-M882 HydrophobicContact CB-CE 4.23Å; V842-M882 HydrophobicContact CG1-CE 4.37Å; V842-M882 HydrophobicContact CG1-SD 4.04Å; V842-M882 HydrophobicContact CG2-CE 3.82Å; V842-M882 HydrophobicContact CG2-CG 4.21Å; V842-M882 HydrophobicContact CG2-SD 4.29Å; W880-M882 HydrophobicContact CB-CE 3.46Å; W880-M882 VanDerWaalsContact CB-CE 3.46Å; W880-M882 HydrophobicContact CB-SD 4.39Å; W880-M882 HydrophobicContact CG-CE 4.39Å; W880-M882 PolarHBondContact O-N 2.94Å; M882-G884 VanDerWaalsContact C-N 3.25Å; M882-G884 PolarHBondContact O-N 3.31Å
883	S	86.1	Confident	89.2	Confident	60 Å²	60	29.4 Å²	29.4	42%	0.42	16%	0.156	S	C	.	.	S	Bend	trans	-76.5	-14.3	175.1	57.3	0	0	0	0	113.4	L708 C881	L708-S883 PolarHBondContact N-O 3.41Å; C881-S883 PolarHBondContact SG-OG 2.73Å
884	G	89.2	Confident	89.1	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.7	174.9	-174.9	0	0	0	0	0	112.6	W705 V706 M882	W705-G884 VanDerWaalsContact CH2-O 3.22Å; W705-G884 WeakPolarHBondContact CH2-O 3.41Å; V706-G884 CarbonylContact O-C 3.54Å; V706-G884 WeakPolarHBondContact O-CA 3.45Å; M882-G884 VanDerWaalsContact C-N 3.25Å; M882-G884 PolarHBondContact O-N 3.31Å
885	Y	93.7	Very high	89.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.6	177.5	63.6	-90.9	0	0	0	110.3	V706 L708 C718 L846 A870 I871 F872 Q887	V706-Y885 HydrophobicContact CB-CD1 4.31Å; V706-Y885 HydrophobicContact CB-CD2 4.38Å; V706-Y885 HydrophobicContact CB-CE1 3.91Å; V706-Y885 HydrophobicContact CB-CE2 3.99Å; V706-Y885 HydrophobicContact CG1-CE1 3.83Å; V706-Y885 HydrophobicContact CG2-CE2 3.95Å; V706-Y885 PolarHBondContact N-O 3.09Å; V706-Y885 PolarHBondContact O-N 3.22Å; L708-Y885 HydrophobicContact CD1-CD1 4Å; L708-Y885 HydrophobicContact CD2-CD1 4.12Å; L708-Y885 HydrophobicContact CD2-CE1 3.87Å; L708-Y885 HydrophobicContact CG-CD1 4.05Å; L708-Y885 HydrophobicContact CG-CE1 4.29Å; C718-Y885 PolarHBondContact SG-OH 3.24Å; L846-Y885 HydrophobicContact CD2-CD1 4.23Å; L846-Y885 HydrophobicContact CD2-CE1 3.6Å; L846-Y885 HydrophobicContact CD2-CE2 4.2Å; A870-Y885 HydrophobicContact CB-CD2 3.61Å; A870-Y885 HydrophobicContact CB-CE2 3.66Å; A870-Y885 HydrophobicContact CB-CG 4.41Å; I871-Y885 WeakPolarHBondContact O-CA 3.49Å; I871-Y885 WeakPolarHBondContact O-CB 3.27Å; F872-Y885 HydrophobicContact CE1-CD1 4.16Å; F872-Y885 HydrophobicContact CE1-CG 4.29Å; F872-Y885 HydrophobicContact CZ-CD1 4.05Å; F872-Y885 HydrophobicContact CZ-CG 4.12Å; Y885-Q887 HydrophobicContact CE2-CB 4.09Å
886	Y	93.6	Very high	89.9	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.6	169.8	-63	-82.9	0	0	0	110	D681 K682 I703 R704 W705 A870 I871	D681-Y886 PolarHBondContact O-OH 2.87Å; K682-Y886 WeakPolarHBondContact CA-OH 3.4Å; I703-Y886 HydrophobicContact CG2-CD1 3.89Å; I703-Y886 HydrophobicContact CG2-CG 4.42Å; R704-Y886 CarbonylContact O-C 3.55Å; R704-Y886 WeakPolarHBondContact O-CA 3.35Å; W705-Y886 HydrophobicContact CB-CE1 4.48Å; W705-Y886 AromaticContact CE3-CD1 3.84Å; W705-Y886 HydrophobicContact CE3-CD1 3.84Å; W705-Y886 HydrophobicContact CE3-CD2 4Å; W705-Y886 AromaticContact CE3-CE1 3.63Å; W705-Y886 HydrophobicContact CE3-CE1 3.63Å; W705-Y886 AromaticContact CE3-CE2 3.8Å; W705-Y886 HydrophobicContact CE3-CE2 3.8Å; W705-Y886 HydrophobicContact CE3-CG 4.01Å; W705-Y886 AromaticContact CE3-CZ 3.59Å; W705-Y886 AromaticContact CZ3-CD2 3.93Å; W705-Y886 HydrophobicContact CZ3-CD2 3.93Å; W705-Y886 HydrophobicContact CZ3-CE1 4.33Å; W705-Y886 AromaticContact CZ3-CE2 3.65Å; W705-Y886 HydrophobicContact CZ3-CE2 3.65Å; W705-Y886 HydrophobicContact CZ3-CG 4.38Å; W705-Y886 AromaticContact CZ3-CZ 3.85Å; A870-Y886 CarbonylContact C-O 3.52Å; I871-Y886 PolarHBondContact N-O 3.39Å; I871-Y886 PolarHBondContact O-N 2.95Å
887	Q	94.9	Very high	90.6	Very high	5 Å²	5	22.3 Å²	22.3	2%	0.023	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.4	173.4	-173.5	167.7	-38.1	0	0	109.2	I703 R704 V706 E847 T868 I869 Y885	I703-Q887 WeakPolarHBondContact CA-O 3.41Å; R704-Q887 HydrophobicContact CG-CB 4.07Å; R704-Q887 PolarHBondContact N-O 3.27Å; R704-Q887 VanDerWaalsContact N-O 3.07Å; R704-Q887 PolarHBondContact O-N 3.41Å; V706-Q887 HydrophobicContact CG2-CB 3.96Å; E847-Q887 PolarHBondContact OE2-NE2 3.36Å; E847-Q887 PolarHBondContact OE2-OE1 2.73Å; T868-Q887 HydrophobicContact CG2-CG 4.34Å; I869-Q887 WeakPolarHBondContact O-CA 3.36Å; Y885-Q887 HydrophobicContact CE2-CB 4.09Å
888	L	95.6	Very high	91.4	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.3	176	173.4	68.1	0	0	0	109.8	A702 I703 T868 I869 I871 L918	A702-L888 WeakPolarHBondContact O-CA 3.37Å; I703-L888 HydrophobicContact CD1-CD1 4.19Å; I703-L888 HydrophobicContact CG1-CB 4.5Å; I703-L888 HydrophobicContact CG1-CD1 3.58Å; T868-L888 CarbonylContact C-O 3.54Å; T868-L888 VanDerWaalsContact CA-O 3.25Å; T868-L888 WeakPolarHBondContact CA-O 3.32Å; T868-L888 WeakPolarHBondContact CB-O 3.5Å; I869-L888 HydrophobicContact CB-CB 4.48Å; I869-L888 PolarHBondContact N-O 3.35Å; I869-L888 PolarHBondContact O-N 2.89Å; I871-L888 HydrophobicContact CD1-CB 3.88Å; L888-L918 HydrophobicContact CD2-CD1 3.66Å; L888-L918 HydrophobicContact CD2-CD2 3.92Å; L888-L918 HydrophobicContact CD2-CG 4.41Å
889	T	95.9	Very high	92.1	Very high	29 Å²	29	21.9 Å²	21.9	18%	0.178	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	117.6	174.8	-59.1	0	0	0	0	110.4	V698 G701 A702	V698-T889 HydrophobicContact CG1-CG2 3.76Å; G701-T889 PolarHBondContact N-O 3.48Å; A702-T889 PolarHBondContact O-N 3.13Å
890	V	94.3	Very high	92.6	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.024	13%	0.125	C	C	.	.			trans	-95.6	-33.9	177.5	179.8	0	0	0	0	111.3	V700 G867 I869 V897 Y911 F916	V700-V890 VanDerWaalsContact CG1-O 3.31Å; V700-V890 WeakPolarHBondContact CG1-O 3.39Å; V700-V890 WeakPolarHBondContact CG2-O 3.28Å; G867-V890 WeakPolarHBondContact O-CB 3.22Å; G867-V890 PolarHBondContact O-N 2.74Å; I869-V890 HydrophobicContact CD1-CG2 3.62Å; I869-V890 HydrophobicContact CG1-CG2 3.87Å; V890-V897 HydrophobicContact CB-CG2 3.91Å; V890-V897 HydrophobicContact CG1-CG2 4.35Å; V890-V897 HydrophobicContact CG2-CG2 4.01Å; V890-Y911 HydrophobicContact CG1-CD2 4.46Å; V890-Y911 HydrophobicContact CG1-CG 4.31Å; V890-F916 HydrophobicContact CG1-CB 4.4Å; V890-F916 HydrophobicContact CG1-CD1 4.07Å; V890-F916 HydrophobicContact CG1-CD2 4.16Å; V890-F916 HydrophobicContact CG1-CE1 4.42Å; V890-F916 HydrophobicContact CG1-CE2 4.47Å; V890-F916 HydrophobicContact CG1-CG 3.98Å
891	G	91.1	Very high	93	Very high	5 Å²	5	21.3 Å²	21.3	5%	0.052	13%	0.13	C	C	.	.	S	Bend	trans	-168.9	-158.8	-177	0	0	0	0	0	113.1	V698 G867	V698-G891 WeakPolarHBondContact CG1-O 3.4Å; G867-G891 PolarHBondContact O-N 2.7Å; G867-G891 VanDerWaalsContact O-N 3.14Å
892	Q	89.7	Confident	93.4	Very high	16 Å²	16	23 Å²	23	8%	0.075	14%	0.14	C	C	.	.			trans	-62.4	141	-175.8	-78.9	175.5	-16.3	0	0	112.5	D693 V698 S894 C895 Y911	D693-Q892 PolarHBondContact O-NE2 3.25Å; V698-Q892 HydrophobicContact CG2-CB 4.33Å; V698-Q892 HydrophobicContact CG2-CG 3.48Å; V698-Q892 VanDerWaalsContact CG2-CG 3.48Å; Q892-S894 PolarHBondContact O-N 3.37Å; Q892-S894 VanDerWaalsContact O-N 3.1Å; Q892-C895 PolarHBondContact O-N 3.46Å; Q892-Y911 PolarHBondContact N-OH 3.24Å
893	P	90.3	Very high	93.8	Very high	86 Å²	86	21.7 Å²	21.7	56%	0.558	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.8	173.9	-26.2	35.4	0	0	0	114.7	N866 C895	N866-P893 WeakPolarHBondContact CA-O 3.41Å; N866-P893 WeakPolarHBondContact O-CA 3.48Å; P893-C895 PolarHBondContact O-N 3.38Å
894	S	89.2	Confident	93.9	Very high	59 Å²	59	21.3 Å²	21.3	41%	0.413	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-2.1	177.6	61.3	0	0	0	0	114	Q892	Q892-S894 PolarHBondContact O-N 3.37Å; Q892-S894 VanDerWaalsContact O-N 3.1Å
895	C	93.3	Very high	94	Very high	26 Å²	26	26 Å²	26	18%	0.176	16%	0.164	C	C	.	.	S	Bend	trans	-133.5	132.6	-171.5	-77.2	0	0	0	0	112.7	A865 G867 Q892 P893 Y911 R912	A865-C895 CarbonylContact O-C 3.56Å; A865-C895 VanDerWaalsContact O-C 3.29Å; G867-C895 WeakPolarHBondContact CA-O 3.25Å; G867-C895 PolarHBondContact N-O 2.91Å; Q892-C895 PolarHBondContact O-N 3.46Å; P893-C895 PolarHBondContact O-N 3.38Å; C895-Y911 HydrophobicContact CB-CD2 4.46Å; C895-Y911 HydrophobicContact CB-CE2 3.51Å; C895-Y911 WeakPolarHBondContact CB-OH 3.5Å; C895-R912 HydrophobicContact CB-CG 4.26Å; C895-R912 PolarHBondContact SG-NE 2.8Å; C895-R912 PolarHBondContact SG-NH2 3.37Å
896	S	96.2	Very high	94	Very high	11 Å²	11	28.3 Å²	28.3	8%	0.077	17%	0.174	C	C	.	.			trans	-76.9	142.3	-177	60.7	0	0	0	0	113.8	L851 A865 R898	L851-S896 VanDerWaalsContact CD1-CB 3.45Å; A865-S896 WeakPolarHBondContact O-CA 3.43Å; A865-S896 PolarHBondContact O-N 2.8Å; S896-R898 PolarHBondContact O-N 2.96Å
897	V	97.9	Very high	94.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	106.7	153.1	-175	0	0	0	0	106.7	A863 L864 I869 V890 L900 C909 Y911	A863-V897 HydrophobicContact CB-CB 3.89Å; A863-V897 HydrophobicContact CB-CG1 3.63Å; A863-V897 WeakPolarHBondContact CB-O 3.35Å; L864-V897 PolarHBondContact O-N 2.99Å; I869-V897 HydrophobicContact CD1-CG1 4.24Å; I869-V897 HydrophobicContact CG1-CG1 4.1Å; I869-V897 HydrophobicContact CG1-CG2 4.26Å; V890-V897 HydrophobicContact CB-CG2 3.91Å; V890-V897 HydrophobicContact CG1-CG2 4.35Å; V890-V897 HydrophobicContact CG2-CG2 4.01Å; V897-L900 HydrophobicContact CG1-CD2 4.11Å; V897-C909 HydrophobicContact CG1-CB 3.92Å; V897-Y911 HydrophobicContact CG2-CD2 4.41Å
898	R	97.5	Very high	94.3	Very high	50 Å²	50	28 Å²	28	19%	0.189	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-36.7	-163.8	-178.5	59	-172.6	98.5	-13.5	114	S896 G910 V939	S896-R898 PolarHBondContact O-N 2.96Å; R898-G910 PolarHBondContact N-O 2.61Å; R898-V939 WeakPolarHBondContact CG-O 3.26Å
899	C	97.4	Very high	94.4	Very high	12 Å²	12	27.9 Å²	27.9	8%	0.081	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	157.5	-176.5	56.7	0	0	0	0	110.8	C909 G910	C899-C909 WeakPolarHBondContact O-CA 3.3Å; C899-G910 PolarHBondContact O-N 2.92Å
900	L	98.3	Very high	94.5	Very high	16 Å²	16	26.5 Å²	26.5	8%	0.084	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.4	176	-60.8	174.9	0	0	0	108.8	V854 F861 A863 I869 V897 L907 W908 C909	V854-L900 HydrophobicContact CB-CB 4.43Å; V854-L900 HydrophobicContact CG1-CB 3.91Å; V854-L900 WeakPolarHBondContact CG1-O 3.39Å; V854-L900 HydrophobicContact CG2-CB 3.64Å; V854-L900 HydrophobicContact CG2-CD1 3.98Å; V854-L900 HydrophobicContact CG2-CG 4.44Å; F861-L900 HydrophobicContact CB-CD1 3.86Å; F861-L900 WeakPolarHBondContact O-CD1 3.09Å; A863-L900 HydrophobicContact CB-CD1 3.73Å; A863-L900 HydrophobicContact CB-CD2 4.13Å; A863-L900 HydrophobicContact CB-CG 3.7Å; I869-L900 HydrophobicContact CD1-CD2 3.85Å; I869-L900 HydrophobicContact CG1-CD2 4.47Å; V897-L900 HydrophobicContact CG1-CD2 4.11Å; L900-L907 HydrophobicContact CB-CD1 4.39Å; L900-W908 WeakPolarHBondContact CA-O 3.38Å; L900-C909 HydrophobicContact CD2-CB 3.38Å
901	V	97.1	Very high	94.6	Very high	19 Å²	19	26.6 Å²	26.6	12%	0.115	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	139.7	169.3	69.1	0	0	0	0	109.9	V903 W908 L942 C944 V949	V901-V903 HydrophobicContact CG1-CG2 3.86Å; V901-W908 HydrophobicContact CG1-CB 3.85Å; V901-W908 PolarHBondContact N-O 2.98Å; V901-W908 PolarHBondContact O-N 2.67Å; V901-L942 HydrophobicContact CB-CB 4.07Å; V901-L942 HydrophobicContact CG1-CB 3.49Å; V901-L942 VanDerWaalsContact CG1-CB 3.49Å; V901-L942 HydrophobicContact CG1-CD1 3.82Å; V901-L942 HydrophobicContact CG1-CG 4.3Å; V901-C944 HydrophobicContact CG2-CB 4.24Å; V901-C944 VanDerWaalsContact CG2-SG 3.54Å; V901-V949 HydrophobicContact CG1-CG1 4.5Å
902	V	95.6	Very high	94.8	Very high	41 Å²	41	29.5 Å²	29.5	25%	0.248	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.6	173.3	173.4	0	0	0	0	108.5	V854 Y856 L907 C944	V854-V902 HydrophobicContact CB-CG2 4.46Å; V854-V902 HydrophobicContact CG2-CG2 4.35Å; Y856-V902 HydrophobicContact CD2-CG1 3.63Å; Y856-V902 HydrophobicContact CD2-CG2 4.25Å; Y856-V902 HydrophobicContact CE2-CG1 4.15Å; V902-L907 HydrophobicContact CG2-CD1 4.14Å; V902-C944 PolarHBondContact O-SG 3.34Å
903	V	93.9	Very high	95	Very high	11 Å²	11	29.2 Å²	29.2	7%	0.067	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	99.1	-179.9	-172.7	0	0	0	0	108.2	V901 N905 K906 W908 C944 V949 A964	V901-V903 HydrophobicContact CG1-CG2 3.86Å; V903-N905 PolarHBondContact O-N 3.26Å; V903-K906 PolarHBondContact N-O 3.1Å; V903-K906 PolarHBondContact O-N 3.13Å; V903-W908 HydrophobicContact CB-CG 4.36Å; V903-W908 HydrophobicContact CG2-CB 4.22Å; V903-W908 HydrophobicContact CG2-CD2 3.95Å; V903-W908 HydrophobicContact CG2-CG 3.71Å; V903-C944 HydrophobicContact CG2-CB 4.03Å; V903-V949 HydrophobicContact CB-CG2 4.41Å; V903-V949 HydrophobicContact CG1-CG2 3.71Å; V903-V949 HydrophobicContact CG2-CG2 3.78Å; V903-A964 HydrophobicContact CG1-CB 3.57Å
904	G	88.1	Confident	95.3	Very high	52 Å²	52	28.2 Å²	28.2	54%	0.536	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-118.5	-171.9	0	0	0	0	0	111.2
905	N	89.2	Confident	95.7	Very high	100 Å²	100	25.4 Å²	25.4	54%	0.535	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	11.2	176.9	67.7	-28.5	0	0	0	114	V903 P920	V903-N905 PolarHBondContact O-N 3.26Å; N905-P920 WeakPolarHBondContact O-CD 3.25Å; N905-P920 WeakPolarHBondContact O-CG 3.32Å
906	K	94.8	Very high	95.9	Very high	49 Å²	49	24.8 Å²	24.8	21%	0.213	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	155.5	-179.1	-54.5	-164.7	-177.2	-152.7	0	111.3	V903 V917 E926 F967	V903-K906 PolarHBondContact N-O 3.1Å; V903-K906 PolarHBondContact O-N 3.13Å; K906-V917 HydrophobicContact CB-CG1 3.97Å; K906-V917 HydrophobicContact CD-CG1 3.53Å; K906-V917 HydrophobicContact CG-CG1 4.34Å; K906-E926 WeakPolarHBondContact CD-OE2 3.14Å; K906-E926 WeakPolarHBondContact CE-OE2 3.31Å; K906-E926 IonicContact NZ-OE2 3.52Å; K906-E926 PolarHBondContact NZ-OE2 3.29Å; K906-F967 HydrophobicContact CD-CZ 4.45Å
907	L	97.5	Very high	95.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.6	173.3	178.5	72.1	0	0	0	109.2	V854 F861 L900 V902 L918 P920	V854-L907 HydrophobicContact CG2-CD1 3.62Å; F861-L907 HydrophobicContact CB-CD2 4.2Å; F861-L907 HydrophobicContact CD1-CD2 3.39Å; F861-L907 HydrophobicContact CD2-CD2 4.27Å; F861-L907 HydrophobicContact CE1-CD2 3.76Å; F861-L907 HydrophobicContact CG-CD2 3.7Å; F861-L907 HydrophobicContact CZ-CD2 4.34Å; L900-L907 HydrophobicContact CB-CD1 4.39Å; V902-L907 HydrophobicContact CG2-CD1 4.14Å; L907-L918 HydrophobicContact CB-CB 4.24Å; L907-L918 HydrophobicContact CD2-CD1 4.11Å; L907-L918 PolarHBondContact N-O 3.39Å; L907-L918 PolarHBondContact O-N 3.25Å; L907-P920 HydrophobicContact CB-CB 4.32Å
908	W	98.3	Very high	95.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.1	177.1	-71.4	35.3	0	0	0	109.7	L900 V901 V903 I915 F916 V917 F929 L942 V949 F962 A964 F967	L900-W908 WeakPolarHBondContact CA-O 3.38Å; V901-W908 HydrophobicContact CG1-CB 3.85Å; V901-W908 PolarHBondContact N-O 2.98Å; V901-W908 PolarHBondContact O-N 2.67Å; V903-W908 HydrophobicContact CB-CG 4.36Å; V903-W908 HydrophobicContact CG2-CB 4.22Å; V903-W908 HydrophobicContact CG2-CD2 3.95Å; V903-W908 HydrophobicContact CG2-CG 3.71Å; W908-I915 HydrophobicContact CB-CG2 4.34Å; W908-I915 HydrophobicContact CD2-CG2 4.1Å; W908-I915 HydrophobicContact CE3-CG2 3.63Å; W908-I915 HydrophobicContact CG-CG2 4.44Å; W908-I915 HydrophobicContact CZ3-CG2 4.27Å; W908-F916 CarbonylContact C-O 3.6Å; W908-F916 WeakPolarHBondContact CA-O 3.35Å; W908-V917 HydrophobicContact CD2-CG2 4.14Å; W908-V917 HydrophobicContact CG-CG2 4.21Å; W908-V917 HydrophobicContact CZ2-CG2 4.45Å; W908-F929 HydrophobicContact CE3-CZ 4.37Å; W908-F929 HydrophobicContact CH2-CE1 4.42Å; W908-F929 HydrophobicContact CH2-CZ 4.04Å; W908-F929 HydrophobicContact CZ3-CE1 4.4Å; W908-F929 AromaticContact CZ3-CZ 3.75Å; W908-F929 HydrophobicContact CZ3-CZ 3.75Å; W908-L942 HydrophobicContact CB-CD1 4.1Å; W908-V949 HydrophobicContact CD2-CG2 4.36Å; W908-V949 HydrophobicContact CE3-CB 4.06Å; W908-V949 HydrophobicContact CE3-CG1 3.76Å; W908-V949 HydrophobicContact CE3-CG2 4Å; W908-V949 HydrophobicContact CH2-CB 4.14Å; W908-V949 HydrophobicContact CH2-CG2 3.77Å; W908-V949 HydrophobicContact CZ2-CG2 4.12Å; W908-V949 HydrophobicContact CZ3-CB 3.65Å; W908-V949 HydrophobicContact CZ3-CG1 3.84Å; W908-V949 HydrophobicContact CZ3-CG2 3.7Å; W908-F962 HydrophobicContact CH2-CB 4.2Å; W908-F962 HydrophobicContact CZ3-CB 4.11Å; W908-A964 WeakPolarHBondContact CZ2-O 3.38Å; W908-F967 AromaticContact CH2-CD1 3.87Å; W908-F967 HydrophobicContact CH2-CD1 3.87Å; W908-F967 HydrophobicContact CH2-CE1 4.44Å; W908-F967 AromaticContact CZ2-CD1 3.46Å; W908-F967 HydrophobicContact CZ2-CD1 3.46Å; W908-F967 VanDerWaalsContact CZ2-CD1 3.46Å; W908-F967 AromaticContact CZ2-CE1 3.58Å; W908-F967 HydrophobicContact CZ2-CE1 3.58Å
909	C	97.5	Very high	95.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.9	177.2	65.3	0	0	0	0	112.5	I869 V897 C899 L900 I915 F916	I869-C909 HydrophobicContact CD1-CB 4.33Å; V897-C909 HydrophobicContact CG1-CB 3.92Å; C899-C909 WeakPolarHBondContact O-CA 3.3Å; L900-C909 HydrophobicContact CD2-CB 3.38Å; C909-I915 WeakPolarHBondContact O-CA 3.31Å; C909-F916 PolarHBondContact N-O 2.8Å; C909-F916 PolarHBondContact O-N 2.93Å; C909-F916 WeakPolarHBondContact SG-CB 3.31Å
910	G	97.7	Very high	95.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121	176.1	0	0	0	0	0	111	R898 C899	R898-G910 PolarHBondContact N-O 2.61Å; C899-G910 PolarHBondContact O-N 2.92Å
911	Y	96	Very high	95	Very high	6 Å²	6	25.4 Å²	25.4	2%	0.024	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	119.3	178.4	172.4	-89.3	0	0	0	109.6	V890 Q892 C895 V897 N913 K914 F916	V890-Y911 HydrophobicContact CG1-CD2 4.46Å; V890-Y911 HydrophobicContact CG1-CG 4.31Å; Q892-Y911 PolarHBondContact N-OH 3.24Å; C895-Y911 HydrophobicContact CB-CD2 4.46Å; C895-Y911 HydrophobicContact CB-CE2 3.51Å; C895-Y911 WeakPolarHBondContact CB-OH 3.5Å; V897-Y911 HydrophobicContact CG2-CD2 4.41Å; Y911-N913 PolarHBondContact O-N 3.48Å; Y911-K914 PolarHBondContact N-O 3.26Å; Y911-K914 CarbonylContact O-C 3.52Å; Y911-K914 WeakPolarHBondContact O-CA 3.45Å; Y911-K914 WeakPolarHBondContact O-CB 3.39Å; Y911-K914 PolarHBondContact O-N 2.93Å; Y911-F916 HydrophobicContact CD1-CD2 4.49Å; Y911-F916 AromaticContact CD1-CE2 3.68Å; Y911-F916 HydrophobicContact CD1-CE2 3.68Å; Y911-F916 HydrophobicContact CD1-CZ 4.25Å; Y911-F916 HydrophobicContact CG-CE2 4.21Å
912	R	94.4	Very high	94.6	Very high	65 Å²	65	26.7 Å²	26.7	25%	0.245	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-133.3	-170.4	-61.4	-178.5	169.7	-171	-11.2	110.6	D693 C895 K914 Q938 V939	D693-R912 VanDerWaalsContact CG-NH1 3.29Å; D693-R912 IonicContact OD1-NH1 3.31Å; D693-R912 IonicContact OD2-CZ 3.41Å; D693-R912 IonicContact OD2-NH1 2.73Å; D693-R912 PolarHBondContact OD2-NH1 2.76Å; C895-R912 HydrophobicContact CB-CG 4.26Å; C895-R912 PolarHBondContact SG-NE 2.8Å; C895-R912 PolarHBondContact SG-NH2 3.37Å; R912-K914 VanDerWaalsContact C-N 3.25Å; R912-K914 PolarHBondContact O-N 3.43Å; R912-Q938 CarbonylContact O-C 3.58Å; R912-Q938 VanDerWaalsContact O-CA 3.26Å; R912-Q938 WeakPolarHBondContact O-CA 2.98Å; R912-V939 PolarHBondContact O-N 3.02Å
913	N	95	Very high	94.4	Very high	11 Å²	11	24.9 Å²	24.9	6%	0.059	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	10.5	175.3	74.3	-57.4	0	0	0	113.7	Y911 D930 A931 H932 R934 S937	Y911-N913 PolarHBondContact O-N 3.48Å; N913-D930 PolarHBondContact ND2-OD1 3.01Å; N913-D930 CarbonylContact O-C 3.55Å; N913-A931 PolarHBondContact O-N 3.13Å; N913-H932 PolarHBondContact ND2-O 2.59Å; N913-H932 PolarHBondContact O-N 2.98Å; N913-R934 WeakPolarHBondContact CB-O 3.4Å; N913-S937 WeakPolarHBondContact CA-O 3.36Å; N913-S937 WeakPolarHBondContact CB-O 3.37Å
914	K	96	Very high	94.2	Very high	64 Å²	64	28.9 Å²	28.9	28%	0.278	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	152.2	-174.5	-71.3	177.7	-177.7	-66.6	0	112.3	Y911 R912 F916 F929 D930	Y911-K914 PolarHBondContact N-O 3.26Å; Y911-K914 CarbonylContact O-C 3.52Å; Y911-K914 WeakPolarHBondContact O-CA 3.45Å; Y911-K914 WeakPolarHBondContact O-CB 3.39Å; Y911-K914 PolarHBondContact O-N 2.93Å; R912-K914 VanDerWaalsContact C-N 3.25Å; R912-K914 PolarHBondContact O-N 3.43Å; K914-F916 HydrophobicContact CB-CD2 4.1Å; K914-F916 HydrophobicContact CB-CE2 3.67Å; K914-F916 HydrophobicContact CD-CE2 4.06Å; K914-F916 HydrophobicContact CD-CZ 4.28Å; K914-F929 CarbonylContact C-O 3.55Å; K914-F929 VanDerWaalsContact CA-O 3.28Å; K914-F929 WeakPolarHBondContact CA-O 3.36Å; K914-D930 WeakPolarHBondContact CE-OD1 3.36Å; K914-D930 WeakPolarHBondContact CG-OD1 3.42Å; K914-D930 IonicContact NZ-OD1 2.68Å; K914-D930 PolarHBondContact NZ-OD1 3.13Å; K914-D930 IonicContact NZ-OD2 3.44Å
915	I	98.1	Very high	94.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.5	163.7	-71.9	160.4	0	0	0	107.7	W908 C909 V917 S928 F929 A931 V939 L942 F962	W908-I915 HydrophobicContact CB-CG2 4.34Å; W908-I915 HydrophobicContact CD2-CG2 4.1Å; W908-I915 HydrophobicContact CE3-CG2 3.63Å; W908-I915 HydrophobicContact CG-CG2 4.44Å; W908-I915 HydrophobicContact CZ3-CG2 4.27Å; C909-I915 WeakPolarHBondContact O-CA 3.31Å; I915-V917 HydrophobicContact CG2-CG2 4.33Å; I915-S928 WeakPolarHBondContact O-CA 3.4Å; I915-F929 HydrophobicContact CB-CE1 4.03Å; I915-F929 HydrophobicContact CB-CE2 3.98Å; I915-F929 HydrophobicContact CB-CZ 3.7Å; I915-F929 HydrophobicContact CD1-CE2 3.88Å; I915-F929 HydrophobicContact CD1-CZ 3.94Å; I915-F929 HydrophobicContact CG1-CE2 4.49Å; I915-F929 HydrophobicContact CG1-CZ 4.43Å; I915-F929 HydrophobicContact CG2-CE1 3.8Å; I915-F929 HydrophobicContact CG2-CE2 4.45Å; I915-F929 HydrophobicContact CG2-CZ 3.67Å; I915-F929 PolarHBondContact N-O 3.39Å; I915-F929 PolarHBondContact O-N 2.64Å; I915-A931 HydrophobicContact CD1-CB 3.66Å; I915-A931 HydrophobicContact CG1-CB 3.84Å; I915-V939 HydrophobicContact CG1-CG2 4.26Å; I915-L942 HydrophobicContact CD1-CD2 3.84Å; I915-L942 HydrophobicContact CG1-CD2 4.28Å; I915-F962 HydrophobicContact CD1-CD2 4.28Å; I915-F962 HydrophobicContact CD1-CE2 4.17Å
916	F	96.6	Very high	94.4	Very high	13 Å²	13	27.9 Å²	27.9	6%	0.057	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.3	173.4	-73.7	-112.1	0	0	0	108.2	V700 V890 W908 C909 Y911 K914 L925	V700-F916 HydrophobicContact CG1-CE1 4.25Å; V890-F916 HydrophobicContact CG1-CB 4.4Å; V890-F916 HydrophobicContact CG1-CD1 4.07Å; V890-F916 HydrophobicContact CG1-CD2 4.16Å; V890-F916 HydrophobicContact CG1-CE1 4.42Å; V890-F916 HydrophobicContact CG1-CE2 4.47Å; V890-F916 HydrophobicContact CG1-CG 3.98Å; W908-F916 CarbonylContact C-O 3.6Å; W908-F916 WeakPolarHBondContact CA-O 3.35Å; C909-F916 PolarHBondContact N-O 2.8Å; C909-F916 PolarHBondContact O-N 2.93Å; C909-F916 WeakPolarHBondContact SG-CB 3.31Å; Y911-F916 HydrophobicContact CD1-CD2 4.49Å; Y911-F916 AromaticContact CD1-CE2 3.68Å; Y911-F916 HydrophobicContact CD1-CE2 3.68Å; Y911-F916 HydrophobicContact CD1-CZ 4.25Å; Y911-F916 HydrophobicContact CG-CE2 4.21Å; K914-F916 HydrophobicContact CB-CD2 4.1Å; K914-F916 HydrophobicContact CB-CE2 3.67Å; K914-F916 HydrophobicContact CD-CE2 4.06Å; K914-F916 HydrophobicContact CD-CZ 4.28Å; F916-L925 HydrophobicContact CB-CD1 3.74Å; F916-L925 HydrophobicContact CD1-CD1 3.46Å; F916-L925 VanDerWaalsContact CD1-CD1 3.46Å; F916-L925 HydrophobicContact CD1-CD2 3.53Å; F916-L925 HydrophobicContact CD1-CG 4.13Å; F916-L925 HydrophobicContact CE1-CD2 3.79Å; F916-L925 HydrophobicContact CG-CD1 4.06Å
917	V	97.6	Very high	94.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	112.2	-177.8	-177.5	0	0	0	0	107.9	K906 W908 I915 E926 H927 F929 F967	K906-V917 HydrophobicContact CB-CG1 3.97Å; K906-V917 HydrophobicContact CD-CG1 3.53Å; K906-V917 HydrophobicContact CG-CG1 4.34Å; W908-V917 HydrophobicContact CD2-CG2 4.14Å; W908-V917 HydrophobicContact CG-CG2 4.21Å; W908-V917 HydrophobicContact CZ2-CG2 4.45Å; I915-V917 HydrophobicContact CG2-CG2 4.33Å; V917-E926 PolarHBondContact O-N 3.43Å; V917-H927 HydrophobicContact CB-CB 4.05Å; V917-H927 HydrophobicContact CG2-CB 4.33Å; V917-H927 PolarHBondContact N-O 3.34Å; V917-H927 PolarHBondContact O-N 2.92Å; V917-F929 HydrophobicContact CG2-CE1 4.01Å; V917-F967 HydrophobicContact CB-CE1 4.29Å; V917-F967 HydrophobicContact CG1-CE1 3.92Å; V917-F967 HydrophobicContact CG1-CZ 4.12Å; V917-F967 HydrophobicContact CG2-CD1 4.01Å; V917-F967 HydrophobicContact CG2-CE1 3.7Å; V917-F967 HydrophobicContact CG2-CZ 4.4Å
918	L	96	Very high	94.2	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.6	-175.4	-58.5	169.2	0	0	0	109.8	I869 L888 L907 P920 E924 L925	I869-L918 HydrophobicContact CD1-CD1 3.73Å; L888-L918 HydrophobicContact CD2-CD1 3.66Å; L888-L918 HydrophobicContact CD2-CD2 3.92Å; L888-L918 HydrophobicContact CD2-CG 4.41Å; L907-L918 HydrophobicContact CB-CB 4.24Å; L907-L918 HydrophobicContact CD2-CD1 4.11Å; L907-L918 PolarHBondContact N-O 3.39Å; L907-L918 PolarHBondContact O-N 3.25Å; L918-P920 WeakPolarHBondContact O-CD 3.47Å; L918-E924 WeakPolarHBondContact CA-O 3.45Å; L918-L925 HydrophobicContact CD2-CB 3.94Å; L918-L925 HydrophobicContact CD2-CD1 3.61Å; L918-L925 HydrophobicContact CD2-CG 4.4Å; L918-L925 HydrophobicContact CG-CD1 4.46Å
919	N	93.6	Very high	94.1	Very high	31 Å²	31	33.2 Å²	33.2	17%	0.166	17%	0.165	C	C	.	.			trans	-79.3	114.6	163	-168.9	-55.3	0	0	0	108.8	E921 S922 L923 E924 E926	N919-E921 PolarHBondContact O-N 3.44Å; N919-E921 WeakPolarHBondContact OD1-CA 3.45Å; N919-E921 WeakPolarHBondContact OD1-CB 3.26Å; N919-E921 PolarHBondContact OD1-N 3.44Å; N919-S922 WeakPolarHBondContact CB-OG 3.3Å; N919-S922 VanDerWaalsContact CG-OG 3.24Å; N919-S922 PolarHBondContact OD1-N 3.24Å; N919-L923 WeakPolarHBondContact O-CA 3.3Å; N919-L923 PolarHBondContact O-N 3.18Å; N919-E924 PolarHBondContact N-O 3.18Å; N919-E926 HydrophobicContact CB-CG 4.08Å; N919-E926 WeakPolarHBondContact CB-OE1 3.42Å; N919-E926 PolarHBondContact ND2-OE1 2.93Å
920	P	92.7	Very high	94	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.5	-177	29	-35.9	0	0	0	113.7	Y856 R859 F861 N905 L907 L918	Y856-P920 HydrophobicContact CD1-CB 3.47Å; Y856-P920 VanDerWaalsContact CD1-CB 3.47Å; Y856-P920 HydrophobicContact CD1-CG 3.48Å; Y856-P920 VanDerWaalsContact CD1-CG 3.48Å; Y856-P920 HydrophobicContact CD2-CB 4.39Å; Y856-P920 HydrophobicContact CD2-CG 3.98Å; Y856-P920 HydrophobicContact CE1-CB 3.82Å; Y856-P920 HydrophobicContact CE1-CG 3.31Å; Y856-P920 HydrophobicContact CE2-CG 3.84Å; Y856-P920 HydrophobicContact CG-CB 3.77Å; Y856-P920 HydrophobicContact CG-CG 3.81Å; Y856-P920 VanDerWaalsContact CZ-CG 3.49Å; R859-P920 WeakPolarHBondContact CD-O 3.34Å; R859-P920 PolarHBondContact NH1-O 3.14Å; F861-P920 HydrophobicContact CE2-CB 4.14Å; F861-P920 HydrophobicContact CZ-CB 3.78Å; N905-P920 WeakPolarHBondContact O-CD 3.25Å; N905-P920 WeakPolarHBondContact O-CG 3.32Å; L907-P920 HydrophobicContact CB-CB 4.32Å; L918-P920 WeakPolarHBondContact O-CD 3.47Å
921	E	89	Confident	93.9	Very high	67 Å²	67	37.2 Å²	37.2	31%	0.313	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-53.6	179.6	-65.8	175.4	-168.2	0	0	112	Y856 R857 R859 N919 L923	Y856-E921 HydrophobicContact CE1-CG 4.06Å; Y856-E921 PolarHBondContact OH-OE1 3.2Å; R857-E921 IonicContact CZ-OE1 3.76Å; R857-E921 IonicContact NE-OE1 3.62Å; R857-E921 IonicContact NH1-OE1 2.66Å; R857-E921 PolarHBondContact NH1-OE1 3.44Å; R859-E921 PolarHBondContact NH1-O 3.49Å; R859-E921 PolarHBondContact NH2-O 2.94Å; R859-E921 VanDerWaalsContact NH2-O 3.16Å; N919-E921 PolarHBondContact O-N 3.44Å; N919-E921 WeakPolarHBondContact OD1-CA 3.45Å; N919-E921 WeakPolarHBondContact OD1-CB 3.26Å; N919-E921 PolarHBondContact OD1-N 3.44Å; E921-L923 VanDerWaalsContact C-N 3.3Å
922	S	88.6	Confident	93.7	Very high	46 Å²	46	37.5 Å²	37.5	32%	0.322	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.2	176.4	68	0	0	0	0	113.3	N919 E924	N919-S922 WeakPolarHBondContact CB-OG 3.3Å; N919-S922 VanDerWaalsContact CG-OG 3.24Å; N919-S922 PolarHBondContact OD1-N 3.24Å; S922-E924 PolarHBondContact O-N 2.69Å; S922-E924 WeakPolarHBondContact OG-CG 3.12Å; S922-E924 PolarHBondContact OG-N 2.95Å
923	L	90.8	Very high	93.4	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.208	C	C	.	.			trans	60.6	16.4	-174.1	-55.1	-178.6	0	0	0	113.9	I684 I703 R859 F861 I871 N919 E921	I684-L923 HydrophobicContact CG2-CD1 4.24Å; I703-L923 HydrophobicContact CD1-CB 3.42Å; I703-L923 VanDerWaalsContact CD1-CB 3.42Å; I703-L923 HydrophobicContact CD1-CD1 4.11Å; I703-L923 HydrophobicContact CD1-CG 4.41Å; R859-L923 VanDerWaalsContact NH1-CD2 3.34Å; F861-L923 HydrophobicContact CE1-CD2 3.77Å; F861-L923 HydrophobicContact CZ-CD2 4.1Å; I871-L923 HydrophobicContact CD1-CD1 3.82Å; I871-L923 HydrophobicContact CD1-CD2 3.75Å; I871-L923 HydrophobicContact CD1-CG 4.36Å; N919-L923 WeakPolarHBondContact O-CA 3.3Å; N919-L923 PolarHBondContact O-N 3.18Å; E921-L923 VanDerWaalsContact C-N 3.3Å
924	E	89.7	Confident	93.1	Very high	95 Å²	95	46.3 Å²	46.3	44%	0.444	23%	0.233	S	C	.	.			trans	-81.7	144.5	178.9	-59.9	-167.8	133.4	0	0	111.5	R686 L918 N919 S922 E926	R686-E924 IonicContact NH1-OE1 3.77Å; R686-E924 PolarHBondContact NH1-OE1 2.93Å; L918-E924 WeakPolarHBondContact CA-O 3.45Å; N919-E924 PolarHBondContact N-O 3.18Å; S922-E924 PolarHBondContact O-N 2.69Å; S922-E924 WeakPolarHBondContact OG-CG 3.12Å; S922-E924 PolarHBondContact OG-N 2.95Å; E924-E926 PolarHBondContact O-N 3.43Å
925	L	90.7	Very high	92.7	Very high	51 Å²	51	51.5 Å²	51.5	27%	0.267	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	104.3	170.2	178.2	64.3	0	0	0	109.2	V700 F916 L918 H927	V700-L925 HydrophobicContact CG1-CD2 3.8Å; F916-L925 HydrophobicContact CB-CD1 3.74Å; F916-L925 HydrophobicContact CD1-CD1 3.46Å; F916-L925 VanDerWaalsContact CD1-CD1 3.46Å; F916-L925 HydrophobicContact CD1-CD2 3.53Å; F916-L925 HydrophobicContact CD1-CG 4.13Å; F916-L925 HydrophobicContact CE1-CD2 3.79Å; F916-L925 HydrophobicContact CG-CD1 4.06Å; L918-L925 HydrophobicContact CD2-CB 3.94Å; L918-L925 HydrophobicContact CD2-CD1 3.61Å; L918-L925 HydrophobicContact CD2-CG 4.4Å; L918-L925 HydrophobicContact CG-CD1 4.46Å; L925-H927 WeakPolarHBondContact CD1-O 3.46Å
926	E	92.4	Very high	92.1	Very high	81 Å²	81	57.8 Å²	57.8	38%	0.379	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-39.7	-176.2	-63.5	-173.4	165.4	0	0	112.2	K906 V917 N919 E924	K906-E926 WeakPolarHBondContact CD-OE2 3.14Å; K906-E926 WeakPolarHBondContact CE-OE2 3.31Å; K906-E926 IonicContact NZ-OE2 3.52Å; K906-E926 PolarHBondContact NZ-OE2 3.29Å; V917-E926 PolarHBondContact O-N 3.43Å; N919-E926 HydrophobicContact CB-CG 4.08Å; N919-E926 WeakPolarHBondContact CB-OE1 3.42Å; N919-E926 PolarHBondContact ND2-OE1 2.93Å; E924-E926 PolarHBondContact O-N 3.43Å
927	H	94	Very high	91.9	Very high	79 Å²	79	57.7 Å²	57.7	37%	0.366	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	150.9	-177.8	-152.8	-47.4	0	0	0	111.4	V917 L925 F967	V917-H927 HydrophobicContact CB-CB 4.05Å; V917-H927 HydrophobicContact CG2-CB 4.33Å; V917-H927 PolarHBondContact N-O 3.34Å; V917-H927 PolarHBondContact O-N 2.92Å; L925-H927 WeakPolarHBondContact CD1-O 3.46Å; H927-F967 HydrophobicContact CB-CD2 4.45Å; H927-F967 HydrophobicContact CB-CE2 4.14Å; H927-F967 HydrophobicContact CB-CZ 4.37Å; H927-F967 AromaticContact CD2-CD2 3.23Å; H927-F967 WeakPolarHBondContact CD2-CD2 3.31Å; H927-F967 AromaticContact CD2-CE2 3.39Å; H927-F967 WeakPolarHBondContact CD2-CE2 3.21Å; H927-F967 AromaticContact CG-CD2 3.91Å; H927-F967 AromaticContact NE2-CD2 3.69Å
928	S	94	Very high	91.8	Very high	54 Å²	54	61.1 Å²	61.1	38%	0.378	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.3	163.6	68.3	0	0	0	0	110.4	I915	I915-S928 WeakPolarHBondContact O-CA 3.4Å
929	F	96.6	Very high	91.9	Very high	28 Å²	28	61 Å²	61	12%	0.123	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	158.3	175.4	60.1	-87.3	0	0	0	111	W908 K914 I915 V917 A931 F962 F967	W908-F929 HydrophobicContact CE3-CZ 4.37Å; W908-F929 HydrophobicContact CH2-CE1 4.42Å; W908-F929 HydrophobicContact CH2-CZ 4.04Å; W908-F929 HydrophobicContact CZ3-CE1 4.4Å; W908-F929 AromaticContact CZ3-CZ 3.75Å; W908-F929 HydrophobicContact CZ3-CZ 3.75Å; K914-F929 CarbonylContact C-O 3.55Å; K914-F929 VanDerWaalsContact CA-O 3.28Å; K914-F929 WeakPolarHBondContact CA-O 3.36Å; I915-F929 HydrophobicContact CB-CE1 4.03Å; I915-F929 HydrophobicContact CB-CE2 3.98Å; I915-F929 HydrophobicContact CB-CZ 3.7Å; I915-F929 HydrophobicContact CD1-CE2 3.88Å; I915-F929 HydrophobicContact CD1-CZ 3.94Å; I915-F929 HydrophobicContact CG1-CE2 4.49Å; I915-F929 HydrophobicContact CG1-CZ 4.43Å; I915-F929 HydrophobicContact CG2-CE1 3.8Å; I915-F929 HydrophobicContact CG2-CE2 4.45Å; I915-F929 HydrophobicContact CG2-CZ 3.67Å; I915-F929 PolarHBondContact N-O 3.39Å; I915-F929 PolarHBondContact O-N 2.64Å; V917-F929 HydrophobicContact CG2-CE1 4.01Å; F929-A931 PolarHBondContact O-N 3.47Å; F929-F962 HydrophobicContact CD2-CD1 4.43Å; F929-F962 HydrophobicContact CD2-CE1 4.28Å; F929-F962 AromaticContact CE2-CD1 3.64Å; F929-F962 HydrophobicContact CE2-CD1 3.64Å; F929-F962 AromaticContact CE2-CE1 3.77Å; F929-F962 HydrophobicContact CE2-CE1 3.77Å; F929-F962 HydrophobicContact CE2-CG 4.07Å; F929-F962 HydrophobicContact CE2-CZ 4.3Å; F929-F962 HydrophobicContact CZ-CD1 4.37Å; F929-F962 HydrophobicContact CZ-CG 4.47Å; F929-F967 HydrophobicContact CD1-CB 3.9Å; F929-F967 HydrophobicContact CD1-CG 4.33Å; F929-F967 HydrophobicContact CE1-CB 3.77Å; F929-F967 AromaticContact CE1-CD1 3.86Å; F929-F967 HydrophobicContact CE1-CD1 3.86Å; F929-F967 HydrophobicContact CE1-CG 4.07Å; F929-F967 HydrophobicContact CZ-CB 4.3Å
930	D	95	Very high	92	Very high	81 Å²	81	61.8 Å²	61.8	43%	0.433	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	116.4	176.8	-69.4	-31.9	0	0	0	109.6	N913 K914 H932	N913-D930 PolarHBondContact ND2-OD1 3.01Å; N913-D930 CarbonylContact O-C 3.55Å; K914-D930 WeakPolarHBondContact CE-OD1 3.36Å; K914-D930 WeakPolarHBondContact CG-OD1 3.42Å; K914-D930 IonicContact NZ-OD1 2.68Å; K914-D930 PolarHBondContact NZ-OD1 3.13Å; K914-D930 IonicContact NZ-OD2 3.44Å; D930-H932 VanDerWaalsContact C-N 3.28Å
931	A	95.2	Very high	92.2	Very high	2 Å²	2	64.2 Å²	64.2	2%	0.017	31%	0.314	C	S	.	.	S	Bend	trans	-73.1	-26	172.6	0	0	0	0	0	111.7	N913 I915 F929 V939 R960 F962	N913-A931 PolarHBondContact O-N 3.13Å; I915-A931 HydrophobicContact CD1-CB 3.66Å; I915-A931 HydrophobicContact CG1-CB 3.84Å; F929-A931 PolarHBondContact O-N 3.47Å; A931-V939 HydrophobicContact CB-CG2 3.53Å; A931-R960 WeakPolarHBondContact O-CD 3.27Å; A931-F962 HydrophobicContact CB-CZ 4.35Å
932	H	92.3	Very high	92.7	Very high	12 Å²	12	61.6 Å²	61.6	6%	0.056	30%	0.302	C	S	.	.	S	Bend	trans	-139.7	136.6	173.9	-162.2	-88.8	0	0	0	110.6	N913 D930 R934 S937 I953 R960	N913-H932 PolarHBondContact ND2-O 2.59Å; N913-H932 PolarHBondContact O-N 2.98Å; D930-H932 VanDerWaalsContact C-N 3.28Å; H932-R934 WeakPolarHBondContact ND1-CB 3.22Å; H932-R934 PolarHBondContact ND1-N 2.99Å; H932-R934 VanDerWaalsContact ND1-N 3.15Å; H932-R934 PolarHBondContact O-N 3.34Å; H932-S937 PolarHBondContact CE1-OG 3.35Å; H932-S937 VanDerWaalsContact CG-CB 3.47Å; H932-S937 VanDerWaalsContact ND1-CB 3.28Å; H932-S937 WeakPolarHBondContact ND1-CB 2.96Å; H932-S937 PolarHBondContact ND1-OG 3.29Å; H932-S937 VanDerWaalsContact ND1-OG 3.09Å; H932-I953 HydrophobicContact CB-CD1 4.16Å; H932-R960 PolarHBondContact CD2-NE 3Å; H932-R960 PolarHBondContact CD2-NH2 3.09Å; H932-R960 PolarHBondContact NE2-NH2 3.46Å
933	P	88	Confident	93	Very high	103 Å²	103	59.9 Å²	59.9	67%	0.669	29%	0.291	S	S	*	.	S	Bend	trans	-62.8	-26.8	-179.4	-23.6	33.1	0	0	0	114.2
934	R	88.7	Confident	93.2	Very high	158 Å²	158	61.6 Å²	61.6	60%	0.596	30%	0.302	S	S	*	.	S	Bend	trans	-84.5	128.5	177.5	-58.7	-175.8	-170.9	179.7	1	110.5	N913 H932 E936 S937	N913-R934 WeakPolarHBondContact CB-O 3.4Å; H932-R934 WeakPolarHBondContact ND1-CB 3.22Å; H932-R934 PolarHBondContact ND1-N 2.99Å; H932-R934 VanDerWaalsContact ND1-N 3.15Å; H932-R934 PolarHBondContact O-N 3.34Å; R934-E936 VanDerWaalsContact C-N 3.29Å; R934-E936 WeakPolarHBondContact CB-OE1 3.13Å; R934-E936 WeakPolarHBondContact CD-OE1 3.46Å; R934-E936 PolarHBondContact O-N 3.1Å; R934-S937 WeakPolarHBondContact O-CB 3.32Å; R934-S937 PolarHBondContact O-N 2.93Å
935	K	86.6	Confident	93.2	Very high	174 Å²	174	58.6 Å²	58.6	76%	0.757	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-26.2	-174.4	-66.7	-172	176.8	-173.4	0	113.2	S937	K935-S937 VanDerWaalsContact C-N 3.34Å
936	E	85.4	Confident	93	Very high	131 Å²	131	57.1 Å²	57.1	61%	0.612	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-19.1	177.6	69.3	-81.6	-169.9	0	0	113.4	R934 Q938	R934-E936 VanDerWaalsContact C-N 3.29Å; R934-E936 WeakPolarHBondContact CB-OE1 3.13Å; R934-E936 WeakPolarHBondContact CD-OE1 3.46Å; R934-E936 PolarHBondContact O-N 3.1Å; E936-Q938 PolarHBondContact O-N 3.37Å
937	S	93	Very high	92.9	Very high	12 Å²	12	54 Å²	54	8%	0.084	27%	0.272	C	S	.	.			trans	-78.1	110	-179.2	-68.4	0	0	0	0	110.7	N913 H932 R934 K935	N913-S937 WeakPolarHBondContact CA-O 3.36Å; N913-S937 WeakPolarHBondContact CB-O 3.37Å; H932-S937 PolarHBondContact CE1-OG 3.35Å; H932-S937 VanDerWaalsContact CG-CB 3.47Å; H932-S937 VanDerWaalsContact ND1-CB 3.28Å; H932-S937 WeakPolarHBondContact ND1-CB 2.96Å; H932-S937 PolarHBondContact ND1-OG 3.29Å; H932-S937 VanDerWaalsContact ND1-OG 3.09Å; R934-S937 WeakPolarHBondContact O-CB 3.32Å; R934-S937 PolarHBondContact O-N 2.93Å; K935-S937 VanDerWaalsContact C-N 3.34Å
938	Q	94.9	Very high	92.9	Very high	71 Å²	71	50.2 Å²	50.2	33%	0.332	25%	0.254	S	S	.	.			trans	-93.9	139.5	-177.1	-58.9	177.1	16.7	0	0	112.2	R912 E936 R940 I953 R954	R912-Q938 CarbonylContact O-C 3.58Å; R912-Q938 VanDerWaalsContact O-CA 3.26Å; R912-Q938 WeakPolarHBondContact O-CA 2.98Å; E936-Q938 PolarHBondContact O-N 3.37Å; Q938-R940 PolarHBondContact O-N 3.22Å; Q938-I953 CarbonylContact O-C 3.57Å; Q938-R954 HydrophobicContact CB-CB 4.11Å; Q938-R954 WeakPolarHBondContact O-CB 3.41Å; Q938-R954 PolarHBondContact O-N 3.26Å
939	V	97.8	Very high	93.1	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	130.4	169.9	177.3	0	0	0	0	109.4	R898 R912 I915 A931 L942	R898-V939 WeakPolarHBondContact CG-O 3.26Å; R912-V939 PolarHBondContact O-N 3.02Å; I915-V939 HydrophobicContact CG1-CG2 4.26Å; A931-V939 HydrophobicContact CB-CG2 3.53Å; V939-L942 HydrophobicContact CG1-CD2 4.12Å; V939-L942 HydrophobicContact CG1-CG 4.28Å
940	R	96.9	Very high	93.1	Very high	49 Å²	49	46.3 Å²	46.3	19%	0.185	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-44.3	-176.1	175	58.7	-176.1	74.7	7.4	113.6	Q938 S952 R954 T1015	Q938-R940 PolarHBondContact O-N 3.22Å; R940-S952 PolarHBondContact N-O 3.26Å; R940-R954 HydrophobicContact CB-CB 4.19Å; R940-T1015 PolarHBondContact NH2-O 3.07Å; R940-T1015 VanDerWaalsContact NH2-O 3.13Å
941	Q	97.5	Very high	93.3	Very high	51 Å²	51	42.4 Å²	42.4	24%	0.238	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	144.8	-179.6	-167.1	175.6	-1.7	0	0	109.7	C951 S952 L1017	Q941-C951 WeakPolarHBondContact O-CA 3.43Å; Q941-S952 WeakPolarHBondContact CB-OG 3.28Å; Q941-S952 PolarHBondContact N-OG 3.4Å; Q941-S952 PolarHBondContact O-N 2.94Å; Q941-S952 PolarHBondContact O-OG 3Å; Q941-L1017 HydrophobicContact CG-CB 4.36Å; Q941-L1017 PolarHBondContact NE2-O 2.97Å
942	L	98.2	Very high	93.4	Very high	11 Å²	11	42.3 Å²	42.3	6%	0.058	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.7	172.8	-60.5	170.9	0	0	0	108.9	V901 W908 I915 V939 V949 W950 C951	V901-L942 HydrophobicContact CB-CB 4.07Å; V901-L942 HydrophobicContact CG1-CB 3.49Å; V901-L942 VanDerWaalsContact CG1-CB 3.49Å; V901-L942 HydrophobicContact CG1-CD1 3.82Å; V901-L942 HydrophobicContact CG1-CG 4.3Å; W908-L942 HydrophobicContact CB-CD1 4.1Å; I915-L942 HydrophobicContact CD1-CD2 3.84Å; I915-L942 HydrophobicContact CG1-CD2 4.28Å; V939-L942 HydrophobicContact CG1-CD2 4.12Å; V939-L942 HydrophobicContact CG1-CG 4.28Å; L942-V949 HydrophobicContact CB-CG1 4.41Å; L942-V949 HydrophobicContact CD2-CG1 4.37Å; L942-W950 CarbonylContact C-O 3.58Å; L942-W950 WeakPolarHBondContact CA-O 3.48Å; L942-C951 HydrophobicContact CD2-CB 3.65Å
943	A	96.4	Very high	93.6	Very high	11 Å²	11	41.8 Å²	41.8	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	128.5	173.1	0	0	0	0	0	109	W950 L1017 L1019	A943-W950 PolarHBondContact N-O 3.11Å; A943-W950 PolarHBondContact O-N 3.48Å; A943-L1017 HydrophobicContact CB-CD2 3.85Å; A943-L1017 HydrophobicContact CB-CG 4.11Å; A943-L1019 HydrophobicContact CB-CD1 3.8Å; A943-L1019 HydrophobicContact CB-CG 4.16Å; A943-L1019 WeakPolarHBondContact O-CD1 3.41Å
944	C	93.9	Very high	93.9	Very high	37 Å²	37	38.5 Å²	38.5	25%	0.25	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	145.8	-176.2	63.2	0	0	0	0	112.4	V901 V902 V903 G948 V949	V901-C944 HydrophobicContact CG2-CB 4.24Å; V901-C944 VanDerWaalsContact CG2-SG 3.54Å; V902-C944 PolarHBondContact O-SG 3.34Å; V903-C944 HydrophobicContact CG2-CB 4.03Å; C944-G948 WeakPolarHBondContact CA-O 3.48Å; C944-V949 HydrophobicContact CB-CG2 4.17Å
945	L	90.1	Very high	94	Very high	32 Å²	32	35.1 Å²	35.1	17%	0.168	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	132.9	169.5	-178.1	66	0	0	0	109	D947 G948 L1019 L1038 F1081 P1083	L945-D947 PolarHBondContact O-N 3.29Å; L945-G948 PolarHBondContact N-O 3.07Å; L945-G948 PolarHBondContact O-N 3.23Å; L945-G948 VanDerWaalsContact O-N 3.09Å; L945-L1019 HydrophobicContact CB-CB 4.29Å; L945-L1019 HydrophobicContact CB-CD1 3.78Å; L945-L1019 HydrophobicContact CB-CG 4.44Å; L945-L1038 HydrophobicContact CD2-CD1 3.4Å; L945-L1038 VanDerWaalsContact CD2-CD1 3.4Å; L945-F1081 HydrophobicContact CD1-CZ 4.42Å; L945-F1081 HydrophobicContact CD2-CE2 4.23Å; L945-F1081 HydrophobicContact CD2-CZ 3.64Å; L945-F1081 HydrophobicContact CG-CE1 4.36Å; L945-F1081 HydrophobicContact CG-CE2 4.45Å; L945-F1081 HydrophobicContact CG-CZ 3.68Å; L945-P1083 HydrophobicContact CB-CB 4.46Å; L945-P1083 HydrophobicContact CB-CG 4.36Å; L945-P1083 HydrophobicContact CD2-CB 4.44Å; L945-P1083 VanDerWaalsContact O-CD 3.27Å; L945-P1083 WeakPolarHBondContact O-CD 3.41Å; L945-P1083 WeakPolarHBondContact O-CG 3.4Å
946	G	87.3	Confident	94.3	Very high	20 Å²	20	28.8 Å²	28.8	21%	0.206	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-130.9	-174.3	0	0	0	0	0	111.6	G948 F1081	G946-G948 VanDerWaalsContact C-N 3.33Å; G946-F1081 WeakPolarHBondContact CA-O 3.44Å
947	D	90.2	Very high	94.6	Very high	15 Å²	15	22.9 Å²	22.9	8%	0.08	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	10.2	178.8	-73.4	-25.9	0	0	0	113.5	L945 H963 A964 T1080 F1081	L945-D947 PolarHBondContact O-N 3.29Å; D947-H963 CarbonylContact O-C 3.57Å; D947-H963 WeakPolarHBondContact O-CA 3.45Å; D947-A964 WeakPolarHBondContact O-CB 3.42Å; D947-A964 PolarHBondContact O-N 3.49Å; D947-T1080 WeakPolarHBondContact OD2-CB 3.35Å; D947-T1080 PolarHBondContact OD2-OG1 2.95Å; D947-F1081 PolarHBondContact N-O 2.86Å
948	G	93.1	Very high	94.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.9	179.7	0	0	0	0	0	114.4	C944 L945 G946 F962	C944-G948 WeakPolarHBondContact CA-O 3.48Å; L945-G948 PolarHBondContact N-O 3.07Å; L945-G948 PolarHBondContact O-N 3.23Å; L945-G948 VanDerWaalsContact O-N 3.09Å; G946-G948 VanDerWaalsContact C-N 3.33Å; G948-F962 WeakPolarHBondContact CA-O 3.13Å
949	V	97.4	Very high	94.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	110.5	172.3	-170.2	0	0	0	0	108.9	V901 V903 W908 L942 C944 F962 A964	V901-V949 HydrophobicContact CG1-CG1 4.5Å; V903-V949 HydrophobicContact CB-CG2 4.41Å; V903-V949 HydrophobicContact CG1-CG2 3.71Å; V903-V949 HydrophobicContact CG2-CG2 3.78Å; W908-V949 HydrophobicContact CD2-CG2 4.36Å; W908-V949 HydrophobicContact CE3-CB 4.06Å; W908-V949 HydrophobicContact CE3-CG1 3.76Å; W908-V949 HydrophobicContact CE3-CG2 4Å; W908-V949 HydrophobicContact CH2-CB 4.14Å; W908-V949 HydrophobicContact CH2-CG2 3.77Å; W908-V949 HydrophobicContact CZ2-CG2 4.12Å; W908-V949 HydrophobicContact CZ3-CB 3.65Å; W908-V949 HydrophobicContact CZ3-CG1 3.84Å; W908-V949 HydrophobicContact CZ3-CG2 3.7Å; L942-V949 HydrophobicContact CB-CG1 4.41Å; L942-V949 HydrophobicContact CD2-CG1 4.37Å; C944-V949 HydrophobicContact CB-CG2 4.17Å; V949-F962 PolarHBondContact N-O 3.45Å; V949-F962 PolarHBondContact O-N 3.47Å; V949-A964 HydrophobicContact CG2-CB 4.42Å
950	W	98.2	Very high	94.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	135.9	172	-78.6	102.8	0	0	0	110.7	L942 A943 L959 R960 L961 Q971 V973 L1017 L1024 P1083 C1085	L942-W950 CarbonylContact C-O 3.58Å; L942-W950 WeakPolarHBondContact CA-O 3.48Å; A943-W950 PolarHBondContact N-O 3.11Å; A943-W950 PolarHBondContact O-N 3.48Å; W950-L959 HydrophobicContact CE3-CB 3.79Å; W950-L959 HydrophobicContact CZ3-CB 3.81Å; W950-R960 CarbonylContact C-O 3.59Å; W950-R960 WeakPolarHBondContact CA-O 3.4Å; W950-L961 HydrophobicContact CD2-CB 4.02Å; W950-L961 HydrophobicContact CD2-CD1 4.01Å; W950-L961 HydrophobicContact CE3-CB 3.84Å; W950-L961 HydrophobicContact CG-CD1 4.08Å; W950-L961 HydrophobicContact CH2-CB 3.78Å; W950-L961 HydrophobicContact CH2-CD2 4.39Å; W950-L961 HydrophobicContact CZ2-CB 3.94Å; W950-L961 HydrophobicContact CZ2-CD1 4.38Å; W950-L961 HydrophobicContact CZ2-CD2 3.91Å; W950-L961 HydrophobicContact CZ2-CG 4.3Å; W950-L961 HydrophobicContact CZ3-CB 3.73Å; W950-Q971 HydrophobicContact CH2-CB 4.4Å; W950-Q971 HydrophobicContact CH2-CG 4.38Å; W950-V973 HydrophobicContact CH2-CB 4.33Å; W950-V973 HydrophobicContact CH2-CG2 3.65Å; W950-V973 HydrophobicContact CZ3-CB 4.29Å; W950-V973 HydrophobicContact CZ3-CG2 4.08Å; W950-L1017 HydrophobicContact CB-CD2 4.18Å; W950-L1024 HydrophobicContact CD2-CD2 4.04Å; W950-L1024 HydrophobicContact CE3-CD2 4.49Å; W950-L1024 HydrophobicContact CG-CD1 4.36Å; W950-L1024 HydrophobicContact CG-CD2 4.31Å; W950-L1024 HydrophobicContact CZ2-CD2 4.45Å; W950-P1083 WeakPolarHBondContact CZ2-O 3.27Å; W950-P1083 PolarHBondContact NE1-O 3.07Å; W950-C1085 HydrophobicContact CH2-CB 4.27Å; W950-C1085 HydrophobicContact CZ2-CB 3.91Å
951	C	98.2	Very high	94.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.1	-179	176.1	0	0	0	0	109.9	Q941 L942 L959 R960 F962	Q941-C951 WeakPolarHBondContact O-CA 3.43Å; L942-C951 HydrophobicContact CD2-CB 3.65Å; C951-L959 WeakPolarHBondContact O-CA 3.34Å; C951-R960 HydrophobicContact CB-CB 4.47Å; C951-R960 PolarHBondContact N-O 3.41Å; C951-R960 PolarHBondContact O-N 3.44Å; C951-F962 HydrophobicContact CB-CD2 4.19Å; C951-F962 HydrophobicContact CB-CE2 3.85Å
952	S	98	Very high	94.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	147.7	167.8	66.1	0	0	0	0	111.2	R940 Q941	R940-S952 PolarHBondContact N-O 3.26Å; Q941-S952 WeakPolarHBondContact CB-OG 3.28Å; Q941-S952 PolarHBondContact N-OG 3.4Å; Q941-S952 PolarHBondContact O-N 2.94Å; Q941-S952 PolarHBondContact O-OG 3Å
953	I	96	Very high	94.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	140.7	178.9	-55.5	-58	0	0	0	109.8	H932 Q938 D956	H932-I953 HydrophobicContact CB-CD1 4.16Å; Q938-I953 CarbonylContact O-C 3.57Å; I953-D956 HydrophobicContact CB-CB 3.74Å; I953-D956 HydrophobicContact CG2-CB 3.86Å; I953-D956 PolarHBondContact O-N 2.87Å
954	R	93.5	Very high	94.4	Very high	35 Å²	35	17.3 Å²	17.3	13%	0.132	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	134.2	-178.9	-178.6	174.7	175.9	132.6	0.1	109.4	A747 Q938 R940 D956	A747-R954 PolarHBondContact O-NH1 3.13Å; A747-R954 PolarHBondContact O-NH2 3.46Å; Q938-R954 HydrophobicContact CB-CB 4.11Å; Q938-R954 WeakPolarHBondContact O-CB 3.41Å; Q938-R954 PolarHBondContact O-N 3.26Å; R940-R954 HydrophobicContact CB-CB 4.19Å; R954-D956 PolarHBondContact O-N 3.13Å
955	L	90.9	Very high	94.3	Very high	86 Å²	86	18.5 Å²	18.5	45%	0.45	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	24.1	-179.7	-62.9	173.5	0	0	0	114.1	I750 F1011	I750-L955 HydrophobicContact CD1-CD2 3.91Å; L955-F1011 HydrophobicContact CB-CZ 4.14Å; L955-F1011 HydrophobicContact CD2-CE1 4.29Å; L955-F1011 HydrophobicContact CD2-CZ 4.17Å
956	D	92.7	Very high	94.5	Very high	42 Å²	42	20.7 Å²	20.7	23%	0.225	11%	0.112	C	C	.	.			trans	-126.9	155.3	-176.1	-155.2	-47.3	0	0	0	110.5	I953 R954 S958 R1013 I1014	I953-D956 HydrophobicContact CB-CB 3.74Å; I953-D956 HydrophobicContact CG2-CB 3.86Å; I953-D956 PolarHBondContact O-N 2.87Å; R954-D956 PolarHBondContact O-N 3.13Å; D956-S958 WeakPolarHBondContact OD1-CB 3.4Å; D956-S958 PolarHBondContact OD1-N 3.26Å; D956-S958 PolarHBondContact OD1-OG 3.05Å; D956-S958 PolarHBondContact OD2-OG 2.73Å; D956-R1013 WeakPolarHBondContact O-CA 3Å; D956-I1014 PolarHBondContact O-N 2.94Å
957	S	92.9	Very high	94.9	Very high	7 Å²	7	21 Å²	21	5%	0.049	11%	0.108	C	C	.	.	S	Bend	trans	-94.2	-6.1	174	57.1	0	0	0	0	112.9	D974 I975 V1012 I1014	S957-D974 VanDerWaalsContact CB-OD1 3.28Å; S957-D974 WeakPolarHBondContact CB-OD1 3.3Å; S957-D974 PolarHBondContact OG-OD1 2.98Å; S957-I975 WeakPolarHBondContact O-CG1 3.26Å; S957-I975 PolarHBondContact O-N 3.21Å; S957-V1012 WeakPolarHBondContact CB-O 3.21Å; S957-V1012 PolarHBondContact N-O 3.28Å; S957-I1014 WeakPolarHBondContact O-CD1 3.37Å
958	S	92.5	Very high	95	Very high	15 Å²	15	22.2 Å²	22.2	11%	0.105	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	144.5	-177.5	63	0	0	0	0	113.9	D956 V973	D956-S958 WeakPolarHBondContact OD1-CB 3.4Å; D956-S958 PolarHBondContact OD1-N 3.26Å; D956-S958 PolarHBondContact OD1-OG 3.05Å; D956-S958 PolarHBondContact OD2-OG 2.73Å; S958-V973 CarbonylContact C-O 3.55Å; S958-V973 WeakPolarHBondContact CA-O 3.38Å
959	L	97.1	Very high	95.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.5	171.2	-71.3	162.5	0	0	0	108.7	W950 C951 D972 V973 I975 I1014 L1017 L1024 V1026	W950-L959 HydrophobicContact CE3-CB 3.79Å; W950-L959 HydrophobicContact CZ3-CB 3.81Å; C951-L959 WeakPolarHBondContact O-CA 3.34Å; L959-D972 CarbonylContact O-C 3.56Å; L959-D972 WeakPolarHBondContact O-CA 3.5Å; L959-V973 HydrophobicContact CB-CB 4.31Å; L959-V973 PolarHBondContact N-O 3.25Å; L959-V973 PolarHBondContact O-N 3.05Å; L959-I975 HydrophobicContact CD1-CG2 4.35Å; L959-I1014 HydrophobicContact CD1-CD1 4.11Å; L959-I1014 HydrophobicContact CD2-CD1 3.75Å; L959-I1014 HydrophobicContact CG-CD1 3.52Å; L959-L1017 HydrophobicContact CD1-CD1 4.42Å; L959-L1017 HydrophobicContact CD2-CD1 3.68Å; L959-L1017 HydrophobicContact CD2-CD2 4.02Å; L959-L1024 HydrophobicContact CD1-CD2 3.9Å; L959-V1026 HydrophobicContact CD1-CG2 3.93Å
960	R	97.4	Very high	94.9	Very high	32 Å²	32	29 Å²	29	12%	0.121	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.9	-179.7	-53.9	-165.7	157.5	-107.4	7.8	110.5	A931 H932 W950 C951 F962 Q971 D972	A931-R960 WeakPolarHBondContact O-CD 3.27Å; H932-R960 PolarHBondContact CD2-NE 3Å; H932-R960 PolarHBondContact CD2-NH2 3.09Å; H932-R960 PolarHBondContact NE2-NH2 3.46Å; W950-R960 CarbonylContact C-O 3.59Å; W950-R960 WeakPolarHBondContact CA-O 3.4Å; C951-R960 HydrophobicContact CB-CB 4.47Å; C951-R960 PolarHBondContact N-O 3.41Å; C951-R960 PolarHBondContact O-N 3.44Å; R960-F962 HydrophobicContact CB-CE2 3.69Å; R960-F962 HydrophobicContact CB-CZ 4.05Å; R960-Q971 CarbonylContact C-O 3.47Å; R960-Q971 WeakPolarHBondContact CA-O 3.47Å; R960-D972 VanDerWaalsContact CG-OD1 3.23Å; R960-D972 WeakPolarHBondContact CG-OD1 3.4Å; R960-D972 IonicContact CZ-OD1 3.15Å; R960-D972 IonicContact CZ-OD2 3.56Å; R960-D972 IonicContact NE-OD1 3.24Å; R960-D972 VanDerWaalsContact NH1-CG 3.34Å; R960-D972 IonicContact NH1-OD1 3.35Å; R960-D972 PolarHBondContact NH1-OD1 2.82Å; R960-D972 IonicContact NH1-OD2 3.35Å; R960-D972 PolarHBondContact NH1-OD2 3.19Å; R960-D972 IonicContact NH2-OD2 2.87Å
961	L	97.9	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.3	177.2	-180	60.2	0	0	0	110.1	W950 L970 Q971 T1082 P1083 Y1084	W950-L961 HydrophobicContact CD2-CB 4.02Å; W950-L961 HydrophobicContact CD2-CD1 4.01Å; W950-L961 HydrophobicContact CE3-CB 3.84Å; W950-L961 HydrophobicContact CG-CD1 4.08Å; W950-L961 HydrophobicContact CH2-CB 3.78Å; W950-L961 HydrophobicContact CH2-CD2 4.39Å; W950-L961 HydrophobicContact CZ2-CB 3.94Å; W950-L961 HydrophobicContact CZ2-CD1 4.38Å; W950-L961 HydrophobicContact CZ2-CD2 3.91Å; W950-L961 HydrophobicContact CZ2-CG 4.3Å; W950-L961 HydrophobicContact CZ3-CB 3.73Å; L961-L970 HydrophobicContact CB-CB 4.44Å; L961-L970 HydrophobicContact CD2-CB 4.26Å; L961-L970 HydrophobicContact CD2-CD1 4.38Å; L961-L970 HydrophobicContact CG-CB 4.13Å; L961-L970 HydrophobicContact CG-CD1 4.23Å; L961-L970 PolarHBondContact O-N 2.97Å; L961-Q971 HydrophobicContact CB-CB 3.97Å; L961-Q971 HydrophobicContact CD2-CB 4.24Å; L961-Q971 PolarHBondContact N-O 2.96Å; L961-Q971 PolarHBondContact O-N 3.33Å; L961-T1082 HydrophobicContact CD2-CG2 3.98Å; L961-P1083 HydrophobicContact CD1-CG 4.25Å; L961-Y1084 HydrophobicContact CD2-CD1 3.81Å; L961-Y1084 HydrophobicContact CD2-CE1 4.06Å; L961-Y1084 HydrophobicContact CD2-CG 4.38Å
962	F	97.7	Very high	94.7	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.022	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149.7	174.9	-61.6	-85.5	0	0	0	111	W908 I915 F929 A931 G948 V949 C951 R960 A968 H969	W908-F962 HydrophobicContact CH2-CB 4.2Å; W908-F962 HydrophobicContact CZ3-CB 4.11Å; I915-F962 HydrophobicContact CD1-CD2 4.28Å; I915-F962 HydrophobicContact CD1-CE2 4.17Å; F929-F962 HydrophobicContact CD2-CD1 4.43Å; F929-F962 HydrophobicContact CD2-CE1 4.28Å; F929-F962 AromaticContact CE2-CD1 3.64Å; F929-F962 HydrophobicContact CE2-CD1 3.64Å; F929-F962 AromaticContact CE2-CE1 3.77Å; F929-F962 HydrophobicContact CE2-CE1 3.77Å; F929-F962 HydrophobicContact CE2-CG 4.07Å; F929-F962 HydrophobicContact CE2-CZ 4.3Å; F929-F962 HydrophobicContact CZ-CD1 4.37Å; F929-F962 HydrophobicContact CZ-CG 4.47Å; A931-F962 HydrophobicContact CB-CZ 4.35Å; G948-F962 WeakPolarHBondContact CA-O 3.13Å; V949-F962 PolarHBondContact N-O 3.45Å; V949-F962 PolarHBondContact O-N 3.47Å; C951-F962 HydrophobicContact CB-CD2 4.19Å; C951-F962 HydrophobicContact CB-CE2 3.85Å; R960-F962 HydrophobicContact CB-CE2 3.69Å; R960-F962 HydrophobicContact CB-CZ 4.05Å; F962-A968 CarbonylContact C-O 3.57Å; F962-A968 VanDerWaalsContact CA-O 3.32Å; F962-A968 WeakPolarHBondContact CA-O 3.27Å; F962-H969 HydrophobicContact CD1-CB 4.24Å; F962-H969 HydrophobicContact CE1-CB 4.02Å
963	H	95.3	Very high	94.5	Very high	26 Å²	26	34.2 Å²	34.2	12%	0.12	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	132.1	172.8	-165.8	-76.9	0	0	0	110.8	D947 K965 T966 F967 A968 L970	D947-H963 CarbonylContact O-C 3.57Å; D947-H963 WeakPolarHBondContact O-CA 3.45Å; H963-K965 VanDerWaalsContact C-N 3.33Å; H963-K965 PolarHBondContact ND1-N 3.02Å; H963-K965 VanDerWaalsContact ND1-N 3.12Å; H963-K965 PolarHBondContact O-N 2.99Å; H963-T966 VanDerWaalsContact CB-OG1 3.24Å; H963-T966 WeakPolarHBondContact CB-OG1 3.38Å; H963-T966 VanDerWaalsContact CG-OG1 3.31Å; H963-T966 PolarHBondContact ND1-N 3.26Å; H963-T966 PolarHBondContact ND1-OG1 2.87Å; H963-F967 VanDerWaalsContact O-CA 3.26Å; H963-F967 WeakPolarHBondContact O-CA 2.93Å; H963-F967 PolarHBondContact O-N 3.44Å; H963-A968 PolarHBondContact N-O 3.06Å; H963-L970 HydrophobicContact CB-CD1 3.84Å; H963-L970 HydrophobicContact CB-CD2 4.2Å; H963-L970 HydrophobicContact CB-CG 4.12Å
964	A	92.8	Very high	94.3	Very high	12 Å²	12	37.5 Å²	37.5	10%	0.099	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-34.8	-175.1	0	0	0	0	0	113.9	V903 W908 D947 V949	V903-A964 HydrophobicContact CG1-CB 3.57Å; W908-A964 WeakPolarHBondContact CZ2-O 3.38Å; D947-A964 WeakPolarHBondContact O-CB 3.42Å; D947-A964 PolarHBondContact O-N 3.49Å; V949-A964 HydrophobicContact CG2-CB 4.42Å
965	K	91.5	Very high	94.2	Very high	61 Å²	61	35.9 Å²	35.9	27%	0.265	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-52.5	-178.5	-54.9	-175.6	-173.3	-177.8	0	114.7	H963 F967 Q1075 S1077	H963-K965 VanDerWaalsContact C-N 3.33Å; H963-K965 PolarHBondContact ND1-N 3.02Å; H963-K965 VanDerWaalsContact ND1-N 3.12Å; H963-K965 PolarHBondContact O-N 2.99Å; K965-F967 VanDerWaalsContact C-N 3.33Å; K965-F967 VanDerWaalsContact O-CE2 3.27Å; K965-F967 WeakPolarHBondContact O-CE2 3.47Å; K965-Q1075 WeakPolarHBondContact CD-O 3.37Å; K965-Q1075 PolarHBondContact NZ-O 3.45Å; K965-S1077 PolarHBondContact NZ-OG 3.45Å
966	T	93.1	Very high	94	Very high	79 Å²	79	34.9 Å²	34.9	49%	0.485	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.6	-176.8	62.7	0	0	0	0	113.6	H963 A968	H963-T966 VanDerWaalsContact CB-OG1 3.24Å; H963-T966 WeakPolarHBondContact CB-OG1 3.38Å; H963-T966 VanDerWaalsContact CG-OG1 3.31Å; H963-T966 PolarHBondContact ND1-N 3.26Å; H963-T966 PolarHBondContact ND1-OG1 2.87Å; T966-A968 PolarHBondContact O-N 3.43Å; T966-A968 WeakPolarHBondContact OG1-CB 3.1Å; T966-A968 PolarHBondContact OG1-N 2.97Å
967	F	95.6	Very high	93.5	Very high	25 Å²	25	36.7 Å²	36.7	11%	0.11	20%	0.199	C	C	.	.			trans	58.8	8.2	-175	-45	-65.8	0	0	0	114.4	K906 W908 V917 H927 F929 H963 K965	K906-F967 HydrophobicContact CD-CZ 4.45Å; W908-F967 AromaticContact CH2-CD1 3.87Å; W908-F967 HydrophobicContact CH2-CD1 3.87Å; W908-F967 HydrophobicContact CH2-CE1 4.44Å; W908-F967 AromaticContact CZ2-CD1 3.46Å; W908-F967 HydrophobicContact CZ2-CD1 3.46Å; W908-F967 VanDerWaalsContact CZ2-CD1 3.46Å; W908-F967 AromaticContact CZ2-CE1 3.58Å; W908-F967 HydrophobicContact CZ2-CE1 3.58Å; V917-F967 HydrophobicContact CB-CE1 4.29Å; V917-F967 HydrophobicContact CG1-CE1 3.92Å; V917-F967 HydrophobicContact CG1-CZ 4.12Å; V917-F967 HydrophobicContact CG2-CD1 4.01Å; V917-F967 HydrophobicContact CG2-CE1 3.7Å; V917-F967 HydrophobicContact CG2-CZ 4.4Å; H927-F967 HydrophobicContact CB-CD2 4.45Å; H927-F967 HydrophobicContact CB-CE2 4.14Å; H927-F967 HydrophobicContact CB-CZ 4.37Å; H927-F967 AromaticContact CD2-CD2 3.23Å; H927-F967 WeakPolarHBondContact CD2-CD2 3.31Å; H927-F967 AromaticContact CD2-CE2 3.39Å; H927-F967 WeakPolarHBondContact CD2-CE2 3.21Å; H927-F967 AromaticContact CG-CD2 3.91Å; H927-F967 AromaticContact NE2-CD2 3.69Å; F929-F967 HydrophobicContact CD1-CB 3.9Å; F929-F967 HydrophobicContact CD1-CG 4.33Å; F929-F967 HydrophobicContact CE1-CB 3.77Å; F929-F967 AromaticContact CE1-CD1 3.86Å; F929-F967 HydrophobicContact CE1-CD1 3.86Å; F929-F967 HydrophobicContact CE1-CG 4.07Å; F929-F967 HydrophobicContact CZ-CB 4.3Å; H963-F967 VanDerWaalsContact O-CA 3.26Å; H963-F967 WeakPolarHBondContact O-CA 2.93Å; H963-F967 PolarHBondContact O-N 3.44Å; K965-F967 VanDerWaalsContact C-N 3.33Å; K965-F967 VanDerWaalsContact O-CE2 3.27Å; K965-F967 WeakPolarHBondContact O-CE2 3.47Å
968	A	94.2	Very high	93.1	Very high	42 Å²	42	37.4 Å²	37.4	35%	0.347	20%	0.201	S	C	.	.			trans	-67.2	140.7	-178.7	0	0	0	0	0	110.6	F962 H963 T966	F962-A968 CarbonylContact C-O 3.57Å; F962-A968 VanDerWaalsContact CA-O 3.32Å; F962-A968 WeakPolarHBondContact CA-O 3.27Å; H963-A968 PolarHBondContact N-O 3.06Å; T966-A968 PolarHBondContact O-N 3.43Å; T966-A968 WeakPolarHBondContact OG1-CB 3.1Å; T966-A968 PolarHBondContact OG1-N 2.97Å
969	H	94	Very high	92.6	Very high	88 Å²	88	36.7 Å²	36.7	41%	0.407	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.3	167.3	173.8	-105.6	0	0	0	109.8	F962 D972	F962-H969 HydrophobicContact CD1-CB 4.24Å; F962-H969 HydrophobicContact CE1-CB 4.02Å; H969-D972 IonicContact CD2-OD1 3.56Å; H969-D972 IonicContact CE1-OD1 3.52Å; H969-D972 IonicContact CE1-OD2 3.6Å; H969-D972 PolarHBondContact CE1-OD2 3.31Å; H969-D972 IonicContact NE2-OD1 3.5Å; H969-D972 PolarHBondContact NE2-OD1 3.45Å; H969-D972 IonicContact NE2-OD2 2.61Å; H969-D972 PolarHBondContact NE2-OD2 3.46Å
970	L	94.5	Very high	91.6	Very high	53 Å²	53	38.2 Å²	38.2	28%	0.277	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-41.4	-173.6	-60.4	-177.3	0	0	0	113.4	L961 H963 T1082 Y1084	L961-L970 HydrophobicContact CB-CB 4.44Å; L961-L970 HydrophobicContact CD2-CB 4.26Å; L961-L970 HydrophobicContact CD2-CD1 4.38Å; L961-L970 HydrophobicContact CG-CB 4.13Å; L961-L970 HydrophobicContact CG-CD1 4.23Å; L961-L970 PolarHBondContact O-N 2.97Å; H963-L970 HydrophobicContact CB-CD1 3.84Å; H963-L970 HydrophobicContact CB-CD2 4.2Å; H963-L970 HydrophobicContact CB-CG 4.12Å; L970-T1082 HydrophobicContact CD1-CG2 3.66Å; L970-Y1084 HydrophobicContact CB-CE1 4.23Å
971	Q	95.7	Very high	90.5	Very high	30 Å²	30	42.2 Å²	42.2	14%	0.14	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	139.7	-173.4	-169.4	-179.4	15.3	0	0	111.5	W950 R960 L961 V973 Y1084 C1085	W950-Q971 HydrophobicContact CH2-CB 4.4Å; W950-Q971 HydrophobicContact CH2-CG 4.38Å; R960-Q971 CarbonylContact C-O 3.47Å; R960-Q971 WeakPolarHBondContact CA-O 3.47Å; L961-Q971 HydrophobicContact CB-CB 3.97Å; L961-Q971 HydrophobicContact CD2-CB 4.24Å; L961-Q971 PolarHBondContact N-O 2.96Å; L961-Q971 PolarHBondContact O-N 3.33Å; Q971-V973 HydrophobicContact CG-CG2 4.09Å; Q971-Y1084 HydrophobicContact CB-CD1 4.33Å; Q971-C1085 PolarHBondContact NE2-O 3.41Å
972	D	94.7	Very high	89	Confident	74 Å²	74	42.7 Å²	42.7	40%	0.396	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.2	163.5	-71.6	-28.2	0	0	0	110.1	L959 R960 H969	L959-D972 CarbonylContact O-C 3.56Å; L959-D972 WeakPolarHBondContact O-CA 3.5Å; R960-D972 VanDerWaalsContact CG-OD1 3.23Å; R960-D972 WeakPolarHBondContact CG-OD1 3.4Å; R960-D972 IonicContact CZ-OD1 3.15Å; R960-D972 IonicContact CZ-OD2 3.56Å; R960-D972 IonicContact NE-OD1 3.24Å; R960-D972 VanDerWaalsContact NH1-CG 3.34Å; R960-D972 IonicContact NH1-OD1 3.35Å; R960-D972 PolarHBondContact NH1-OD1 2.82Å; R960-D972 IonicContact NH1-OD2 3.35Å; R960-D972 PolarHBondContact NH1-OD2 3.19Å; R960-D972 IonicContact NH2-OD2 2.87Å; H969-D972 IonicContact CD2-OD1 3.56Å; H969-D972 IonicContact CE1-OD1 3.52Å; H969-D972 IonicContact CE1-OD2 3.6Å; H969-D972 PolarHBondContact CE1-OD2 3.31Å; H969-D972 IonicContact NE2-OD1 3.5Å; H969-D972 PolarHBondContact NE2-OD1 3.45Å; H969-D972 IonicContact NE2-OD2 2.61Å; H969-D972 PolarHBondContact NE2-OD2 3.46Å
973	V	94.1	Very high	87.4	Confident	6 Å²	6	42.7 Å²	42.7	4%	0.036	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	115.4	176.5	172.6	0	0	0	0	108.8	W950 S958 L959 Q971 I975 C1085 M1087	W950-V973 HydrophobicContact CH2-CB 4.33Å; W950-V973 HydrophobicContact CH2-CG2 3.65Å; W950-V973 HydrophobicContact CZ3-CB 4.29Å; W950-V973 HydrophobicContact CZ3-CG2 4.08Å; S958-V973 CarbonylContact C-O 3.55Å; S958-V973 WeakPolarHBondContact CA-O 3.38Å; L959-V973 HydrophobicContact CB-CB 4.31Å; L959-V973 PolarHBondContact N-O 3.25Å; L959-V973 PolarHBondContact O-N 3.05Å; Q971-V973 HydrophobicContact CG-CG2 4.09Å; V973-I975 HydrophobicContact CG1-CG2 4.38Å; V973-C1085 HydrophobicContact CG2-CB 4.47Å; V973-M1087 HydrophobicContact CG1-CG 3.57Å; V973-M1087 HydrophobicContact CG1-SD 3.36Å; V973-M1087 WeakPolarHBondContact CG1-SD 3.34Å
974	D	92.4	Very high	85.6	Confident	70 Å²	70	43.1 Å²	43.1	37%	0.374	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.3	171.8	-179.3	7.8	0	0	0	109.9	S957 E976 P977	S957-D974 VanDerWaalsContact CB-OD1 3.28Å; S957-D974 WeakPolarHBondContact CB-OD1 3.3Å; S957-D974 PolarHBondContact OG-OD1 2.98Å; D974-E976 WeakPolarHBondContact OD1-CB 3.48Å; D974-E976 PolarHBondContact OD1-N 3.43Å; D974-P977 VanDerWaalsContact CG-CD 3.43Å; D974-P977 WeakPolarHBondContact OD1-CD 3.38Å; D974-P977 WeakPolarHBondContact OD2-CD 2.88Å
975	I	92.1	Very high	83.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.246	C	C	.	.			trans	-87.1	-16.7	-179.7	67.6	158.1	0	0	0	113.1	S957 L959 V973 Y978 V979 V1012 I1014 V1026 T1028 L1034 M1087	S957-I975 WeakPolarHBondContact O-CG1 3.26Å; S957-I975 PolarHBondContact O-N 3.21Å; L959-I975 HydrophobicContact CD1-CG2 4.35Å; V973-I975 HydrophobicContact CG1-CG2 4.38Å; I975-Y978 WeakPolarHBondContact O-CB 3.3Å; I975-Y978 PolarHBondContact O-N 3.06Å; I975-Y978 VanDerWaalsContact O-N 3.13Å; I975-V979 HydrophobicContact CD1-CG2 4.3Å; I975-V979 WeakPolarHBondContact O-CG2 3.32Å; I975-V979 PolarHBondContact O-N 2.86Å; I975-V1012 HydrophobicContact CD1-CG1 3.72Å; I975-V1012 HydrophobicContact CG1-CG1 3.98Å; I975-I1014 HydrophobicContact CD1-CD1 4.47Å; I975-I1014 HydrophobicContact CD1-CG1 3.95Å; I975-I1014 HydrophobicContact CG1-CD1 4.5Å; I975-I1014 HydrophobicContact CG1-CG1 4.42Å; I975-V1026 HydrophobicContact CD1-CG1 4.05Å; I975-T1028 HydrophobicContact CD1-CG2 3.59Å; I975-L1034 HydrophobicContact CB-CD1 3.9Å; I975-L1034 HydrophobicContact CD1-CD1 3.78Å; I975-L1034 HydrophobicContact CG1-CD1 4.45Å; I975-L1034 HydrophobicContact CG2-CD1 4.01Å; I975-M1087 HydrophobicContact CB-CE 4.34Å; I975-M1087 HydrophobicContact CG2-CE 4.05Å; I975-M1087 HydrophobicContact CG2-SD 4.26Å
976	E	85.8	Confident	81	Confident	65 Å²	65	47.1 Å²	47.1	30%	0.304	26%	0.255	S	S	.	.	H	α-helix	trans	-58.6	-48.6	-176	-177.6	-167.3	155.7	0	0	111.9	D974 Y978 V979 S980 V1012	D974-E976 WeakPolarHBondContact OD1-CB 3.48Å; D974-E976 PolarHBondContact OD1-N 3.43Å; E976-Y978 PolarHBondContact O-N 3.1Å; E976-Y978 VanDerWaalsContact O-N 3.15Å; E976-V979 PolarHBondContact O-N 3.15Å; E976-S980 WeakPolarHBondContact O-CB 3.38Å; E976-S980 PolarHBondContact O-N 3.4Å; E976-S980 PolarHBondContact O-OG 3.24Å; E976-S980 VanDerWaalsContact O-OG 3.11Å; E976-V1012 HydrophobicContact CB-CB 4.17Å; E976-V1012 HydrophobicContact CB-CG2 4.37Å; E976-V1012 HydrophobicContact CG-CB 4.23Å; E976-V1012 HydrophobicContact CG-CG2 4.05Å
977	P	83	Confident	78.5	Confident	81 Å²	81	52.5 Å²	52.5	53%	0.526	27%	0.268	S	S	.	.	H	α-helix	trans	-58.9	-33.1	179.2	-24.4	34.4	0	0	0	112.5	D974 K981	D974-P977 VanDerWaalsContact CG-CD 3.43Å; D974-P977 WeakPolarHBondContact OD1-CD 3.38Å; D974-P977 WeakPolarHBondContact OD2-CD 2.88Å; P977-K981 WeakPolarHBondContact O-CB 3.24Å; P977-K981 PolarHBondContact O-N 2.93Å
978	Y	83.8	Confident	75.6	Confident	22 Å²	22	59.2 Å²	59.2	9%	0.086	30%	0.297	C	S	.	.	H	α-helix	trans	-74.2	-50.9	178.8	179	-93.2	0	0	0	111.5	R516 I975 E976 S980 K981 M982 L1034 M1087 A1090 L1092	R516-Y978 PolarHBondContact NH2-OH 3.4Å; I975-Y978 WeakPolarHBondContact O-CB 3.3Å; I975-Y978 PolarHBondContact O-N 3.06Å; I975-Y978 VanDerWaalsContact O-N 3.13Å; E976-Y978 PolarHBondContact O-N 3.1Å; E976-Y978 VanDerWaalsContact O-N 3.15Å; Y978-S980 PolarHBondContact O-N 2.99Å; Y978-K981 PolarHBondContact O-N 3.43Å; Y978-M982 HydrophobicContact CD1-CG 4.31Å; Y978-M982 HydrophobicContact CD2-CG 4.44Å; Y978-M982 HydrophobicContact CE1-CG 3.93Å; Y978-M982 HydrophobicContact CE2-CG 4.07Å; Y978-M982 WeakPolarHBondContact O-CB 3.18Å; Y978-M982 VanDerWaalsContact O-CG 3.27Å; Y978-M982 WeakPolarHBondContact O-CG 2.98Å; Y978-M982 PolarHBondContact O-N 3.39Å; Y978-L1034 HydrophobicContact CD1-CD2 4.08Å; Y978-L1034 HydrophobicContact CE1-CD2 3.75Å; Y978-M1087 VanDerWaalsContact CB-CE 3.46Å; Y978-M1087 HydrophobicContact CD1-CE 3.95Å; Y978-M1087 HydrophobicContact CD2-CE 4.2Å; Y978-M1087 HydrophobicContact CG-CE 3.6Å; Y978-A1090 HydrophobicContact CD1-CB 4.42Å; Y978-A1090 HydrophobicContact CD2-CB 4.36Å; Y978-A1090 HydrophobicContact CE1-CB 4Å; Y978-A1090 HydrophobicContact CE2-CB 3.91Å; Y978-A1090 PolarHBondContact OH-O 2.93Å; Y978-L1092 HydrophobicContact CE1-CB 4.1Å; Y978-L1092 HydrophobicContact CE1-CD1 4.38Å
979	V	82.1	Confident	72.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-46.7	178.2	175.9	0	0	0	0	110.5	I975 E976 K981 M982 L983 V1012 V1032 L1034	I975-V979 HydrophobicContact CD1-CG2 4.3Å; I975-V979 WeakPolarHBondContact O-CG2 3.32Å; I975-V979 PolarHBondContact O-N 2.86Å; E976-V979 PolarHBondContact O-N 3.15Å; V979-K981 VanDerWaalsContact C-N 3.33Å; V979-K981 PolarHBondContact O-N 2.91Å; V979-M982 PolarHBondContact O-N 2.65Å; V979-L983 HydrophobicContact CG1-CD1 3.73Å; V979-L983 HydrophobicContact CG1-CG 4.48Å; V979-L983 WeakPolarHBondContact O-CB 3.22Å; V979-L983 PolarHBondContact O-N 3.42Å; V979-V1012 HydrophobicContact CB-CG2 4.15Å; V979-V1012 HydrophobicContact CG1-CG2 3.94Å; V979-V1012 HydrophobicContact CG2-CG1 4.48Å; V979-V1032 HydrophobicContact CG1-CG2 4.45Å; V979-L1034 HydrophobicContact CG2-CD1 3.92Å; V979-L1034 HydrophobicContact CG2-CD2 4.36Å
980	S	77.3	Confident	70.2	Confident	32 Å²	32	56.9 Å²	56.9	22%	0.224	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-34.5	176.9	-67.4	0	0	0	0	112.6	E976 Y978 G984	E976-S980 WeakPolarHBondContact O-CB 3.38Å; E976-S980 PolarHBondContact O-N 3.4Å; E976-S980 PolarHBondContact O-OG 3.24Å; E976-S980 VanDerWaalsContact O-OG 3.11Å; Y978-S980 PolarHBondContact O-N 2.99Å; S980-G984 CarbonylContact O-C 3.58Å; S980-G984 VanDerWaalsContact O-C 3.31Å; S980-G984 WeakPolarHBondContact O-CA 3.34Å; S980-G984 PolarHBondContact O-N 3.05Å
981	K	72.9	Confident	67.5	Low	116 Å²	116	60 Å²	60	50%	0.504	30%	0.298	S	S	.	.	H	α-helix	trans	-70.6	-40.1	173	-179.3	-176.8	178	-175.6	0	112	H508 P977 Y978 V979 K985	H508-K981 PolarHBondContact NE2-O 3.32Å; P977-K981 WeakPolarHBondContact O-CB 3.24Å; P977-K981 PolarHBondContact O-N 2.93Å; Y978-K981 PolarHBondContact O-N 3.43Å; V979-K981 VanDerWaalsContact C-N 3.33Å; V979-K981 PolarHBondContact O-N 2.91Å; K981-K985 VanDerWaalsContact CE-CE 3.49Å; K981-K985 HydrophobicContact CG-CD 4.09Å; K981-K985 HydrophobicContact CG-CG 4.04Å; K981-K985 WeakPolarHBondContact O-CB 2.96Å; K981-K985 PolarHBondContact O-N 3.18Å
982	M	66.9	Low	64.6	Low	10 Å²	10	66.3 Å²	66.3	5%	0.049	33%	0.325	C	S	.	.	H	α-helix	trans	-79.9	-27.8	-175.4	-71.7	-57.1	-59.8	0	0	113.6	H508 S523 Y978 V979 L1092	H508-M982 PolarHBondContact CD2-O 3.37Å; H508-M982 PolarHBondContact NE2-O 3.44Å; S523-M982 VanDerWaalsContact CB-CE 3.46Å; S523-M982 WeakPolarHBondContact OG-CE 3.49Å; Y978-M982 HydrophobicContact CD1-CG 4.31Å; Y978-M982 HydrophobicContact CD2-CG 4.44Å; Y978-M982 HydrophobicContact CE1-CG 3.93Å; Y978-M982 HydrophobicContact CE2-CG 4.07Å; Y978-M982 WeakPolarHBondContact O-CB 3.18Å; Y978-M982 VanDerWaalsContact O-CG 3.27Å; Y978-M982 WeakPolarHBondContact O-CG 2.98Å; Y978-M982 PolarHBondContact O-N 3.39Å; V979-M982 PolarHBondContact O-N 2.65Å; M982-L1092 HydrophobicContact CB-CD1 3.78Å; M982-L1092 HydrophobicContact CG-CD1 4.35Å
983	L	64.9	Low	61.8	Low	5 Å²	5	66.1 Å²	66.1	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-103.7	-14.5	176.8	-59.4	175.7	0	0	0	112	V505 V979 F1009 V1032 L1092 F1142	V505-L983 HydrophobicContact CG1-CD2 3.64Å; V505-L983 HydrophobicContact CG2-CB 4.16Å; V505-L983 HydrophobicContact CG2-CD2 4.4Å; V979-L983 HydrophobicContact CG1-CD1 3.73Å; V979-L983 HydrophobicContact CG1-CG 4.48Å; V979-L983 WeakPolarHBondContact O-CB 3.22Å; V979-L983 PolarHBondContact O-N 3.42Å; L983-F1009 HydrophobicContact CB-CD1 4.22Å; L983-F1009 HydrophobicContact CB-CD2 4.07Å; L983-F1009 HydrophobicContact CB-CE1 3.99Å; L983-F1009 HydrophobicContact CB-CE2 3.81Å; L983-F1009 HydrophobicContact CB-CG 4.27Å; L983-F1009 HydrophobicContact CB-CZ 3.77Å; L983-F1009 HydrophobicContact CD1-CD1 3.9Å; L983-F1009 HydrophobicContact CD1-CE1 3.25Å; L983-F1009 HydrophobicContact CD1-CE2 4.48Å; L983-F1009 HydrophobicContact CD1-CZ 3.6Å; L983-F1009 HydrophobicContact CG-CE1 4.22Å; L983-F1009 HydrophobicContact CG-CZ 4.2Å; L983-V1032 HydrophobicContact CD1-CG1 4.48Å; L983-V1032 HydrophobicContact CD1-CG2 3.51Å; L983-L1092 HydrophobicContact CG-CD1 4.41Å; L983-F1142 HydrophobicContact CD2-CD1 4.41Å; L983-F1142 HydrophobicContact CD2-CG 4.44Å
984	G	55.5	Low	59.4	Low	34 Å²	34	69.5 Å²	69.5	35%	0.351	34%	0.342	S	S	.	.	H	α-helix	trans	-132.6	18.5	-169.3	0	0	0	0	0	116.9	S980 H986	S980-G984 CarbonylContact O-C 3.58Å; S980-G984 VanDerWaalsContact O-C 3.31Å; S980-G984 WeakPolarHBondContact O-CA 3.34Å; S980-G984 PolarHBondContact O-N 3.05Å; G984-H986 PolarHBondContact O-N 3.05Å
985	K	45.2	Very low	57.1	Low	58 Å²	58	72.6 Å²	72.6	25%	0.252	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-66.7	31.7	175.3	-122.3	-179	-177.8	-175.6	0	115.2	H508 K981 Y987	H508-K985 WeakPolarHBondContact CE1-CB 3.29Å; H508-K985 VanDerWaalsContact NE2-CB 3.31Å; H508-K985 WeakPolarHBondContact NE2-CB 3.2Å; K981-K985 VanDerWaalsContact CE-CE 3.49Å; K981-K985 HydrophobicContact CG-CD 4.09Å; K981-K985 HydrophobicContact CG-CG 4.04Å; K981-K985 WeakPolarHBondContact O-CB 2.96Å; K981-K985 PolarHBondContact O-N 3.18Å; K985-Y987 PolarHBondContact O-N 2.95Å
986	H	43.6	Very low	54.4	Low	100 Å²	100	78.4 Å²	78.4	46%	0.463	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-62.4	-13.4	160	-130.9	-104.2	0	0	0	112.7	G984	G984-H986 PolarHBondContact O-N 3.05Å
987	Y	41.3	Very low	52.1	Low	191 Å²	191	81.2 Å²	81.2	75%	0.749	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-79.5	-20.4	-170.7	-156.3	-100.5	0	0	0	116.7	K985	K985-Y987 PolarHBondContact O-N 2.95Å
988	K	33.9	Very low	50.2	Low	167 Å²	167	78.5 Å²	78.5	73%	0.726	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	-39.2	-173.3	-95.7	-176	175.9	179.2	0	116.8	S990	K988-S990 VanDerWaalsContact C-N 3.33Å
989	I	35.8	Very low	47.9	Very low	64 Å²	64	85 Å²	85	33%	0.328	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-4.5	-173.8	-73.5	157.4	0	0	0	112	R511	R511-I989 PolarHBondContact NH2-O 2.91Å
990	S	38.1	Very low	45.5	Very low	16 Å²	16	95.5 Å²	95.5	11%	0.112	47%	0.465	C	S	.	.	H	α-helix	trans	-70.1	-30.1	165.1	-117.1	0	0	0	0	112.7	K988 F992 N993 L994	K988-S990 VanDerWaalsContact C-N 3.33Å; S990-F992 PolarHBondContact O-N 3.19Å; S990-N993 PolarHBondContact O-N 3.09Å; S990-L994 VanDerWaalsContact O-CA 3.23Å; S990-L994 WeakPolarHBondContact O-CA 3.41Å; S990-L994 WeakPolarHBondContact O-CB 3.26Å; S990-L994 PolarHBondContact O-N 3.33Å; S990-L994 WeakPolarHBondContact OG-CD1 3.31Å
991	I	38.2	Very low	43.1	Very low	120 Å²	120	98.7 Å²	98.7	62%	0.615	49%	0.487	S	S	*	.	H	α-helix	trans	-55.1	-35.7	-177.1	-68.3	172.9	0	0	0	112.6	L995	I991-L995 HydrophobicContact CG2-CD1 4.34Å; I991-L995 VanDerWaalsContact O-CB 3.3Å; I991-L995 WeakPolarHBondContact O-CB 3.13Å; I991-L995 WeakPolarHBondContact O-CD1 3.42Å; I991-L995 PolarHBondContact O-N 2.95Å
992	F	34.5	Very low	41.1	Very low	161 Å²	161	94.3 Å²	94.3	71%	0.706	47%	0.47	S	S	*	.	H	α-helix	trans	-80.7	-41.8	-179.3	-157	-101.4	0	0	0	114.6	S990	S990-F992 PolarHBondContact O-N 3.19Å
993	N	35.9	Very low	39.4	Very low	71 Å²	71	96.2 Å²	96.2	38%	0.38	49%	0.492	S	S	.	.	H	α-helix	trans	-91.2	-21.6	179.9	-72	-10.7	0	0	0	113.6	R511 S990 L996 N997	R511-N993 PolarHBondContact NH2-ND2 3.14Å; S990-N993 PolarHBondContact O-N 3.09Å; N993-L996 PolarHBondContact O-N 3.06Å; N993-N997 PolarHBondContact O-N 3.25Å
994	L	44.2	Very low	37.6	Very low	76 Å²	76	100.6 Å²	100.6	40%	0.398	52%	0.519	S	S	.	.	H	α-helix	trans	-76.2	-27.5	171.3	-150.1	122.4	0	0	0	109.6	S990 L996 N997 A998	S990-L994 VanDerWaalsContact O-CA 3.23Å; S990-L994 WeakPolarHBondContact O-CA 3.41Å; S990-L994 WeakPolarHBondContact O-CB 3.26Å; S990-L994 PolarHBondContact O-N 3.33Å; S990-L994 WeakPolarHBondContact OG-CD1 3.31Å; L994-L996 PolarHBondContact O-N 3.18Å; L994-N997 PolarHBondContact O-N 3.13Å; L994-A998 HydrophobicContact CD2-CB 3.9Å; L994-A998 HydrophobicContact CG-CB 4.03Å; L994-A998 WeakPolarHBondContact O-CA 3.49Å; L994-A998 WeakPolarHBondContact O-CB 3.47Å; L994-A998 PolarHBondContact O-N 3.45Å
995	L	44.7	Very low	36.5	Very low	136 Å²	136	103.7 Å²	103.7	71%	0.712	54%	0.535	S	S	*	.	H	α-helix	trans	-60.2	-28.6	165.6	-109.9	150.8	0	0	0	113.1	I991	I991-L995 HydrophobicContact CG2-CD1 4.34Å; I991-L995 VanDerWaalsContact O-CB 3.3Å; I991-L995 WeakPolarHBondContact O-CB 3.13Å; I991-L995 WeakPolarHBondContact O-CD1 3.42Å; I991-L995 PolarHBondContact O-N 2.95Å
996	L	36.1	Very low	36	Very low	122 Å²	122	111.3 Å²	111.3	64%	0.639	57%	0.568	S	S	*	*	H	α-helix	trans	-91.4	-34.3	179.1	-87.7	151.7	0	0	0	113.6	N993 L994	N993-L996 PolarHBondContact O-N 3.06Å; L994-L996 PolarHBondContact O-N 3.18Å
997	N	36.7	Very low	35.7	Very low	123 Å²	123	109.1 Å²	109.1	66%	0.658	56%	0.56	S	S	*	*	H	α-helix	trans	-107.9	-10.1	-175.3	-70.2	-21.4	0	0	0	115	N993 L994 L999 R1000	N993-N997 PolarHBondContact O-N 3.25Å; L994-N997 PolarHBondContact O-N 3.13Å; N997-L999 PolarHBondContact O-N 2.92Å; N997-R1000 PolarHBondContact O-N 3.32Å
998	A	42.8	Very low	35.8	Very low	25 Å²	25	102 Å²	102	21%	0.207	54%	0.544	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.8	174.1	0	0	0	0	0	113.3	L994 R1000 V1002	L994-A998 HydrophobicContact CD2-CB 3.9Å; L994-A998 HydrophobicContact CG-CB 4.03Å; L994-A998 WeakPolarHBondContact O-CA 3.49Å; L994-A998 WeakPolarHBondContact O-CB 3.47Å; L994-A998 PolarHBondContact O-N 3.45Å; A998-R1000 PolarHBondContact O-N 3.1Å; A998-V1002 HydrophobicContact CB-CG2 3.98Å
999	L	34.6	Very low	36.7	Very low	157 Å²	157	95 Å²	95	82%	0.822	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-4.4	162.7	-101.2	155.8	0	0	0	113.5	N997	N997-L999 PolarHBondContact O-N 2.92Å
1000	R	33.1	Very low	37.6	Very low	221 Å²	221	96.5 Å²	96.5	83%	0.834	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.7	-9.4	179.8	-134.6	177.8	165.5	114.4	-0.6	120.6	N997 A998	N997-R1000 PolarHBondContact O-N 3.32Å; A998-R1000 PolarHBondContact O-N 3.1Å
1001	S	26.5	Very low	39.2	Very low	100 Å²	100	100.9 Å²	100.9	70%	0.699	55%	0.547	S	S	*	.			trans	-160.6	110.2	168.5	66.7	0	0	0	0	112
1002	V	30.8	Very low	41.5	Very low	24 Å²	24	95.3 Å²	95.3	15%	0.145	52%	0.519	C	S	.	.			trans	-129.8	127.3	176.1	173.7	0	0	0	0	105.1	E121 L125 A998	E121-V1002 HydrophobicContact CB-CG1 4.16Å; E121-V1002 HydrophobicContact CG-CG1 3.87Å; L125-V1002 WeakPolarHBondContact CD2-O 3.38Å; L125-V1002 WeakPolarHBondContact CG-O 3.37Å; A998-V1002 HydrophobicContact CB-CG2 3.98Å
1003	G	30.2	Very low	44.2	Very low	49 Å²	49	90.1 Å²	90.1	51%	0.505	50%	0.495	S	S	.	.			trans	140.6	66.3	174.3	0	0	0	0	0	116.2
1004	T	28.6	Very low	47.1	Very low	97 Å²	97	86.9 Å²	86.9	60%	0.595	48%	0.478	S	S	*	.			trans	-137.8	122.3	150.5	49.5	0	0	0	0	109.5
1005	S	31.5	Very low	49.6	Very low	99 Å²	99	83.9 Å²	83.9	69%	0.692	46%	0.462	S	S	*	.			trans	-61.7	130.6	177.3	44.6	0	0	0	0	112.5	L1007	S1005-L1007 WeakPolarHBondContact O-CG 2.89Å; S1005-L1007 PolarHBondContact O-N 3.31Å
1006	K	35.8	Very low	52.1	Low	218 Å²	218	77.5 Å²	77.5	95%	0.948	43%	0.429	S	S	*	.			trans	20.1	66	142.9	-156.1	179.1	-175.9	-176.5	0	117
1007	L	36.9	Very low	55	Low	54 Å²	54	72 Å²	72	28%	0.283	40%	0.401	S	S	.	.			trans	-94.6	114.9	-179.5	-82.5	149.4	0	0	0	112.9	E497 E500 L504 S1005	E497-L1007 HydrophobicContact CB-CD2 4.37Å; E497-L1007 HydrophobicContact CG-CD2 4.36Å; E500-L1007 HydrophobicContact CB-CD1 4.07Å; E500-L1007 WeakPolarHBondContact OE2-CD1 3.18Å; L504-L1007 HydrophobicContact CD1-CB 4.46Å; L504-L1007 HydrophobicContact CD1-CD1 4.45Å; S1005-L1007 WeakPolarHBondContact O-CG 2.89Å; S1005-L1007 PolarHBondContact O-N 3.31Å
1008	G	43.2	Very low	57.9	Low	41 Å²	41	67.5 Å²	67.5	42%	0.423	38%	0.376	S	S	.	.	S	Bend		106.5	-32	118.9	0	0	0	0	0	122	Q501	Q501-G1008 PolarHBondContact NE2-O 3.29Å
1009	F	53.5	Low	60.3	Low	20 Å²	20	67 Å²	67	9%	0.088	37%	0.37	C	S	.	.			trans	-96.3	4.9	-176.8	-83.3	-76.5	0	0	0	115.5	Q501 V505 L983 F1011	Q501-F1009 HydrophobicContact CG-CD2 3.98Å; Q501-F1009 HydrophobicContact CG-CE2 3.39Å; Q501-F1009 HydrophobicContact CG-CZ 3.98Å; Q501-F1009 VanDerWaalsContact NE2-CD2 3.28Å; V505-F1009 HydrophobicContact CG2-CD2 4.47Å; V505-F1009 HydrophobicContact CG2-CE2 3.33Å; V505-F1009 HydrophobicContact CG2-CZ 3.68Å; L983-F1009 HydrophobicContact CB-CD1 4.22Å; L983-F1009 HydrophobicContact CB-CD2 4.07Å; L983-F1009 HydrophobicContact CB-CE1 3.99Å; L983-F1009 HydrophobicContact CB-CE2 3.81Å; L983-F1009 HydrophobicContact CB-CG 4.27Å; L983-F1009 HydrophobicContact CB-CZ 3.77Å; L983-F1009 HydrophobicContact CD1-CD1 3.9Å; L983-F1009 HydrophobicContact CD1-CE1 3.25Å; L983-F1009 HydrophobicContact CD1-CE2 4.48Å; L983-F1009 HydrophobicContact CD1-CZ 3.6Å; L983-F1009 HydrophobicContact CG-CE1 4.22Å; L983-F1009 HydrophobicContact CG-CZ 4.2Å; F1009-F1011 PolarHBondContact O-N 3.4Å; F1009-F1011 VanDerWaalsContact O-N 3.07Å
1010	S	53.5	Low	63	Low	97 Å²	97	59.6 Å²	59.6	68%	0.678	33%	0.331	S	S	*	.	S	Bend	trans	-70.4	-4.6	-170.9	63.1	0	0	0	0	115.7
1011	F	71.9	Confident	65.6	Low	107 Å²	107	49.6 Å²	49.6	47%	0.469	30%	0.295	S	S	.	.			trans	-126.8	93.6	176.7	-165.1	-110.4	0	0	0	109.7	L955 F1009 R1013 N1030	L955-F1011 HydrophobicContact CB-CZ 4.14Å; L955-F1011 HydrophobicContact CD2-CE1 4.29Å; L955-F1011 HydrophobicContact CD2-CZ 4.17Å; F1009-F1011 PolarHBondContact O-N 3.4Å; F1009-F1011 VanDerWaalsContact O-N 3.07Å; F1011-R1013 HydrophobicContact CE1-CB 4.3Å; F1011-R1013 HydrophobicContact CE1-CG 4.39Å; F1011-N1030 PolarHBondContact O-ND2 3.34Å
1012	V	86.4	Confident	68.5	Low	3 Å²	3	51 Å²	51	2%	0.018	29%	0.288	C	S	.	.			trans	-97.8	125	171.5	179.5	0	0	0	0	107.2	S957 I975 E976 V979 T1028	S957-V1012 WeakPolarHBondContact CB-O 3.21Å; S957-V1012 PolarHBondContact N-O 3.28Å; I975-V1012 HydrophobicContact CD1-CG1 3.72Å; I975-V1012 HydrophobicContact CG1-CG1 3.98Å; E976-V1012 HydrophobicContact CB-CB 4.17Å; E976-V1012 HydrophobicContact CB-CG2 4.37Å; E976-V1012 HydrophobicContact CG-CB 4.23Å; E976-V1012 HydrophobicContact CG-CG2 4.05Å; V979-V1012 HydrophobicContact CB-CG2 4.15Å; V979-V1012 HydrophobicContact CG1-CG2 3.94Å; V979-V1012 HydrophobicContact CG2-CG1 4.48Å; V1012-T1028 HydrophobicContact CG1-CG2 4.03Å
1013	R	92.2	Very high	71.4	Confident	52 Å²	52	50 Å²	50	20%	0.196	28%	0.282	C	S	.	.			trans	-125.6	144	172.3	64.4	178.6	179.2	-176.1	2.1	110.2	D956 F1011 T1015 T1028 G1029	D956-R1013 WeakPolarHBondContact O-CA 3Å; F1011-R1013 HydrophobicContact CE1-CB 4.3Å; F1011-R1013 HydrophobicContact CE1-CG 4.39Å; R1013-T1015 HydrophobicContact CG-CG2 4.3Å; R1013-T1028 CarbonylContact O-C 3Å; R1013-T1028 VanDerWaalsContact O-CA 3.23Å; R1013-T1028 WeakPolarHBondContact O-CA 3.36Å; R1013-T1028 WeakPolarHBondContact O-CB 3.36Å; R1013-G1029 PolarHBondContact O-N 3.49Å
1014	I	96.4	Very high	74.6	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.1	176.8	-63.8	159.3	0	0	0	109.8	D956 S957 L959 I975 V1026	D956-I1014 PolarHBondContact O-N 2.94Å; S957-I1014 WeakPolarHBondContact O-CD1 3.37Å; L959-I1014 HydrophobicContact CD1-CD1 4.11Å; L959-I1014 HydrophobicContact CD2-CD1 3.75Å; L959-I1014 HydrophobicContact CG-CD1 3.52Å; I975-I1014 HydrophobicContact CD1-CD1 4.47Å; I975-I1014 HydrophobicContact CD1-CG1 3.95Å; I975-I1014 HydrophobicContact CG1-CD1 4.5Å; I975-I1014 HydrophobicContact CG1-CG1 4.42Å; I1014-V1026 HydrophobicContact CB-CG1 4.45Å; I1014-V1026 HydrophobicContact CD1-CG1 4.4Å; I1014-V1026 HydrophobicContact CG1-CG1 3.86Å; I1014-V1026 HydrophobicContact CG2-CG1 3.88Å
1015	T	96.2	Very high	77.9	Confident	12 Å²	12	43.1 Å²	43.1	7%	0.074	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-26.5	-177.3	55.2	0	0	0	0	113.8	R940 R1013 G1027 T1028 A1100 V1101	R940-T1015 PolarHBondContact NH2-O 3.07Å; R940-T1015 VanDerWaalsContact NH2-O 3.13Å; R1013-T1015 HydrophobicContact CG-CG2 4.3Å; T1015-G1027 PolarHBondContact N-O 3.32Å; T1015-G1027 PolarHBondContact OG1-O 3.43Å; T1015-T1028 VanDerWaalsContact OG1-C 3.26Å; T1015-T1028 PolarHBondContact OG1-O 3Å; T1015-A1100 HydrophobicContact CG2-CB 4.06Å; T1015-V1101 VanDerWaalsContact CB-O 3.32Å; T1015-V1101 WeakPolarHBondContact CB-O 3.48Å; T1015-V1101 PolarHBondContact OG1-O 3Å
1016	S	97.5	Very high	81.1	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	141.9	174.5	62.9	0	0	0	0	111.4	G1027 V1101 L1104	S1016-G1027 PolarHBondContact N-O 3.35Å; S1016-G1027 PolarHBondContact O-N 3.25Å; S1016-G1027 VanDerWaalsContact OG-CA 3.25Å; S1016-G1027 WeakPolarHBondContact OG-CA 3.21Å; S1016-G1027 PolarHBondContact OG-N 3.49Å; S1016-V1101 WeakPolarHBondContact OG-CG1 3.43Å; S1016-L1104 WeakPolarHBondContact OG-CD1 3.4Å
1017	L	97.2	Very high	84	Confident	7 Å²	7	28 Å²	28	4%	0.037	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134	179.6	-163.5	66.3	0	0	0	109.7	Q941 A943 W950 L959 L1024 V1026	Q941-L1017 HydrophobicContact CG-CB 4.36Å; Q941-L1017 PolarHBondContact NE2-O 2.97Å; A943-L1017 HydrophobicContact CB-CD2 3.85Å; A943-L1017 HydrophobicContact CB-CG 4.11Å; W950-L1017 HydrophobicContact CB-CD2 4.18Å; L959-L1017 HydrophobicContact CD1-CD1 4.42Å; L959-L1017 HydrophobicContact CD2-CD1 3.68Å; L959-L1017 HydrophobicContact CD2-CD2 4.02Å; L1017-L1024 HydrophobicContact CD1-CD1 3.63Å; L1017-L1024 HydrophobicContact CD1-CG 4.24Å; L1017-L1024 HydrophobicContact CG-CD1 4.09Å; L1017-V1026 HydrophobicContact CD1-CG2 4.04Å
1018	L	96.5	Very high	86.7	Confident	28 Å²	28	25.5 Å²	25.5	15%	0.147	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	133.8	175.1	171.6	70.6	0	0	0	110	W1025 L1104 V1132	L1018-W1025 HydrophobicContact CB-CB 4.13Å; L1018-W1025 PolarHBondContact N-O 3.36Å; L1018-W1025 WeakPolarHBondContact O-CB 3.49Å; L1018-W1025 PolarHBondContact O-N 2.93Å; L1018-L1104 HydrophobicContact CB-CB 3.7Å; L1018-L1104 HydrophobicContact CB-CD1 4.32Å; L1018-L1104 HydrophobicContact CD2-CB 3.93Å; L1018-L1104 HydrophobicContact CG-CB 4.45Å; L1018-V1132 HydrophobicContact CD2-CG1 4.18Å
1019	L	94.1	Very high	89	Confident	15 Å²	15	23.8 Å²	23.8	8%	0.079	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.8	166.6	-75.2	162.2	0	0	0	107.5	A943 L945 R1023 L1024 L1038	A943-L1019 HydrophobicContact CB-CD1 3.8Å; A943-L1019 HydrophobicContact CB-CG 4.16Å; A943-L1019 WeakPolarHBondContact O-CD1 3.41Å; L945-L1019 HydrophobicContact CB-CB 4.29Å; L945-L1019 HydrophobicContact CB-CD1 3.78Å; L945-L1019 HydrophobicContact CB-CG 4.44Å; L1019-R1023 WeakPolarHBondContact CA-O 3.47Å; L1019-L1024 HydrophobicContact CD2-CB 4.13Å; L1019-L1024 HydrophobicContact CD2-CD1 3.58Å; L1019-L1024 HydrophobicContact CD2-CG 4.46Å; L1019-L1024 HydrophobicContact CG-CD1 3.89Å; L1019-L1038 HydrophobicContact CD2-CD1 4.04Å; L1019-L1038 HydrophobicContact CD2-CD2 4.12Å
1020	S	91	Very high	90.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	154.3	174.8	-172.2	0	0	0	0	110.3	E619 K1022 R1023 S1106	E619-S1020 WeakPolarHBondContact OE2-CA 3.28Å; E619-S1020 WeakPolarHBondContact OE2-CB 3.36Å; E619-S1020 PolarHBondContact OE2-OG 2.98Å; S1020-K1022 VanDerWaalsContact C-N 3.29Å; S1020-K1022 PolarHBondContact O-N 3.32Å; S1020-R1023 PolarHBondContact N-O 3.38Å; S1020-R1023 VanDerWaalsContact N-O 3.07Å; S1020-R1023 WeakPolarHBondContact O-CB 3.37Å; S1020-R1023 PolarHBondContact O-N 3.43Å; S1020-R1023 VanDerWaalsContact O-O 3.09Å; S1020-S1106 VanDerWaalsContact CB-OG 3.27Å; S1020-S1106 WeakPolarHBondContact CB-OG 3.27Å; S1020-S1106 VanDerWaalsContact OG-CB 3.29Å; S1020-S1106 WeakPolarHBondContact OG-CB 3.47Å; S1020-S1106 PolarHBondContact OG-OG 2.96Å
1021	C	87.6	Confident	92.3	Very high	11 Å²	11	20.5 Å²	20.5	7%	0.074	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	38.7	-179	-43.2	0	0	0	0	113.5	E619 R1023 M1130 V1170	E619-C1021 PolarHBondContact OE2-N 3.33Å; C1021-R1023 WeakPolarHBondContact O-CG 3.37Å; C1021-R1023 PolarHBondContact O-N 3.44Å; C1021-R1023 VanDerWaalsContact O-N 3.12Å; C1021-M1130 WeakPolarHBondContact SG-CB 3.25Å; C1021-M1130 VanDerWaalsContact SG-CG 3.55Å; C1021-V1170 HydrophobicContact CB-CB 4.37Å; C1021-V1170 HydrophobicContact CB-CG1 3.7Å
1022	K	87.3	Confident	93.3	Very high	130 Å²	130	15.4 Å²	15.4	57%	0.565	8%	0.075	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	34.3	-172	-58.1	-174.4	179.6	-174.5	0	113	S1020 L1038	S1020-K1022 VanDerWaalsContact C-N 3.29Å; S1020-K1022 PolarHBondContact O-N 3.32Å; K1022-L1038 WeakPolarHBondContact O-CB 3.49Å; K1022-L1038 VanDerWaalsContact O-CG 3.26Å; K1022-L1038 WeakPolarHBondContact O-CG 3.34Å; K1022-L1038 PolarHBondContact O-N 3.05Å
1023	R	92.7	Very high	93.7	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.015	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143.1	-179.7	-73.2	160.5	165.2	-82.4	-2.4	110.5	S533 L1019 S1020 C1021 S1035 I1036	S533-R1023 PolarHBondContact O-NH2 2.82Å; L1019-R1023 WeakPolarHBondContact CA-O 3.47Å; S1020-R1023 PolarHBondContact N-O 3.38Å; S1020-R1023 VanDerWaalsContact N-O 3.07Å; S1020-R1023 WeakPolarHBondContact O-CB 3.37Å; S1020-R1023 PolarHBondContact O-N 3.43Å; S1020-R1023 VanDerWaalsContact O-O 3.09Å; C1021-R1023 WeakPolarHBondContact O-CG 3.37Å; C1021-R1023 PolarHBondContact O-N 3.44Å; C1021-R1023 VanDerWaalsContact O-N 3.12Å; R1023-S1035 WeakPolarHBondContact CD-OG 3.38Å; R1023-S1035 PolarHBondContact NH1-OG 3.25Å; R1023-I1036 CarbonylContact C-O 3.58Å; R1023-I1036 WeakPolarHBondContact CA-O 3.39Å
1024	L	96.3	Very high	93.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111.1	165.1	-175.6	62.9	0	0	0	109.1	W950 L959 L1017 L1019 V1026 I1036 L1038 C1085	W950-L1024 HydrophobicContact CD2-CD2 4.04Å; W950-L1024 HydrophobicContact CE3-CD2 4.49Å; W950-L1024 HydrophobicContact CG-CD1 4.36Å; W950-L1024 HydrophobicContact CG-CD2 4.31Å; W950-L1024 HydrophobicContact CZ2-CD2 4.45Å; L959-L1024 HydrophobicContact CD1-CD2 3.9Å; L1017-L1024 HydrophobicContact CD1-CD1 3.63Å; L1017-L1024 HydrophobicContact CD1-CG 4.24Å; L1017-L1024 HydrophobicContact CG-CD1 4.09Å; L1019-L1024 HydrophobicContact CD2-CB 4.13Å; L1019-L1024 HydrophobicContact CD2-CD1 3.58Å; L1019-L1024 HydrophobicContact CD2-CG 4.46Å; L1019-L1024 HydrophobicContact CG-CD1 3.89Å; L1024-V1026 HydrophobicContact CG-CG2 4.13Å; L1024-I1036 HydrophobicContact CB-CB 4.37Å; L1024-I1036 PolarHBondContact N-O 2.99Å; L1024-I1036 PolarHBondContact O-N 3.5Å; L1024-L1038 HydrophobicContact CB-CD2 4.01Å; L1024-C1085 VanDerWaalsContact CD2-SG 3.57Å
1025	W	97.8	Very high	93.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.3	175.2	-66.6	82.4	0	0	0	110	W522 P535 L1018 I1033 L1034 L1104 V1132 W1168 V1170	W522-W1025 HydrophobicContact CH2-CE3 4.35Å; W522-W1025 HydrophobicContact CH2-CH2 4.08Å; W522-W1025 AromaticContact CH2-CZ3 3.56Å; W522-W1025 HydrophobicContact CH2-CZ3 3.56Å; W522-W1025 AromaticContact CZ2-CH2 3.96Å; W522-W1025 HydrophobicContact CZ2-CH2 3.96Å; W522-W1025 AromaticContact CZ2-CZ3 3.78Å; W522-W1025 HydrophobicContact CZ2-CZ3 3.78Å; P535-W1025 HydrophobicContact CB-CH2 3.69Å; P535-W1025 HydrophobicContact CB-CZ2 4.24Å; P535-W1025 HydrophobicContact CG-CH2 3.53Å; P535-W1025 HydrophobicContact CG-CZ2 3.75Å; L1018-W1025 HydrophobicContact CB-CB 4.13Å; L1018-W1025 PolarHBondContact N-O 3.36Å; L1018-W1025 WeakPolarHBondContact O-CB 3.49Å; L1018-W1025 PolarHBondContact O-N 2.93Å; W1025-I1033 HydrophobicContact CE3-CG2 4.24Å; W1025-I1033 HydrophobicContact CZ3-CG2 4.45Å; W1025-L1034 WeakPolarHBondContact CA-O 3.46Å; W1025-L1104 HydrophobicContact CB-CD1 3.93Å; W1025-V1132 HydrophobicContact CD2-CG1 4.08Å; W1025-V1132 HydrophobicContact CE3-CG1 4.1Å; W1025-V1132 HydrophobicContact CH2-CB 4.3Å; W1025-V1132 HydrophobicContact CH2-CG1 4.33Å; W1025-V1132 HydrophobicContact CH2-CG2 4.39Å; W1025-V1132 HydrophobicContact CZ2-CB 4.26Å; W1025-V1132 HydrophobicContact CZ2-CG1 4.35Å; W1025-V1132 HydrophobicContact CZ2-CG2 3.86Å; W1025-V1132 HydrophobicContact CZ3-CG1 4.2Å; W1025-W1168 HydrophobicContact CH2-CB 4.38Å; W1025-W1168 HydrophobicContact CH2-CG 4.43Å; W1025-W1168 HydrophobicContact CZ3-CD2 4.31Å; W1025-W1168 HydrophobicContact CZ3-CE3 4.26Å; W1025-V1170 HydrophobicContact CH2-CG2 4.28Å; W1025-V1170 HydrophobicContact CZ2-CG2 3.79Å
1026	V	98.3	Very high	93.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.4	-176.8	-170	0	0	0	0	109.1	L959 I975 I1014 L1017 L1024 I1033 L1034 I1036	L959-V1026 HydrophobicContact CD1-CG2 3.93Å; I975-V1026 HydrophobicContact CD1-CG1 4.05Å; I1014-V1026 HydrophobicContact CB-CG1 4.45Å; I1014-V1026 HydrophobicContact CD1-CG1 4.4Å; I1014-V1026 HydrophobicContact CG1-CG1 3.86Å; I1014-V1026 HydrophobicContact CG2-CG1 3.88Å; L1017-V1026 HydrophobicContact CD1-CG2 4.04Å; L1024-V1026 HydrophobicContact CG-CG2 4.13Å; V1026-I1033 CarbonylContact O-C 3.58Å; V1026-I1033 WeakPolarHBondContact O-CA 3.23Å; V1026-L1034 HydrophobicContact CB-CB 4.18Å; V1026-L1034 PolarHBondContact N-O 3.04Å; V1026-L1034 PolarHBondContact O-N 3.3Å; V1026-I1036 HydrophobicContact CG2-CD1 4.4Å
1027	G	97.4	Very high	93.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.7	168.1	0	0	0	0	0	110.3	T1015 S1016	T1015-G1027 PolarHBondContact N-O 3.32Å; T1015-G1027 PolarHBondContact OG1-O 3.43Å; S1016-G1027 PolarHBondContact N-O 3.35Å; S1016-G1027 PolarHBondContact O-N 3.25Å; S1016-G1027 VanDerWaalsContact OG-CA 3.25Å; S1016-G1027 WeakPolarHBondContact OG-CA 3.21Å; S1016-G1027 PolarHBondContact OG-N 3.49Å
1028	T	94.9	Very high	93.2	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	162	-174.9	67.7	0	0	0	0	112.4	I975 V1012 R1013 T1015 N1030 G1031 V1032 V1101	I975-T1028 HydrophobicContact CD1-CG2 3.59Å; V1012-T1028 HydrophobicContact CG1-CG2 4.03Å; R1013-T1028 CarbonylContact O-C 3Å; R1013-T1028 VanDerWaalsContact O-CA 3.23Å; R1013-T1028 WeakPolarHBondContact O-CA 3.36Å; R1013-T1028 WeakPolarHBondContact O-CB 3.36Å; T1015-T1028 VanDerWaalsContact OG1-C 3.26Å; T1015-T1028 PolarHBondContact OG1-O 3Å; T1028-N1030 PolarHBondContact O-N 2.92Å; T1028-N1030 VanDerWaalsContact O-N 3.12Å; T1028-G1031 PolarHBondContact O-N 3.27Å; T1028-V1032 HydrophobicContact CG2-CB 4.43Å; T1028-V1032 PolarHBondContact N-O 3.15Å; T1028-V1032 WeakPolarHBondContact OG1-CA 3.03Å; T1028-V1032 WeakPolarHBondContact OG1-CB 2.78Å; T1028-V1032 PolarHBondContact OG1-N 2.96Å; T1028-V1032 PolarHBondContact OG1-O 3.49Å; T1028-V1101 PolarHBondContact O-N 3.06Å; T1028-V1101 VanDerWaalsContact O-N 3.16Å
1029	G	90.7	Very high	92.7	Very high	6 Å²	6	13 Å²	13	6%	0.062	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.5	175.3	0	0	0	0	0	114.8	R1013 A1100	R1013-G1029 PolarHBondContact O-N 3.49Å; G1029-A1100 PolarHBondContact O-N 3.38Å
1030	N	85.8	Confident	91.9	Very high	48 Å²	48	18.8 Å²	18.8	26%	0.257	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	9.6	176.8	-57.2	-19.7	0	0	0	111.6	F1011 T1028 V1032	F1011-N1030 PolarHBondContact O-ND2 3.34Å; T1028-N1030 PolarHBondContact O-N 2.92Å; T1028-N1030 VanDerWaalsContact O-N 3.12Å; N1030-V1032 VanDerWaalsContact C-N 3.28Å; N1030-V1032 PolarHBondContact O-N 3.37Å
1031	G	90.2	Very high	90.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	78.5	2.3	178.1	0	0	0	0	0	115.8	T1028 G1096 H1097 D1099	T1028-G1031 PolarHBondContact O-N 3.27Å; G1031-G1096 CarbonylContact O-C 3.58Å; G1031-G1096 VanDerWaalsContact O-CA 3.26Å; G1031-G1096 WeakPolarHBondContact O-CA 3.47Å; G1031-H1097 WeakPolarHBondContact CA-O 3.48Å; G1031-H1097 PolarHBondContact O-N 3.16Å; G1031-D1099 WeakPolarHBondContact CA-O 3.44Å; G1031-D1099 PolarHBondContact N-O 3Å
1032	V	92.2	Very high	89.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.			trans	-72.6	139	173.8	-177.4	0	0	0	0	109.9	V979 L983 T1028 N1030 L1034 L1092 F1142	V979-V1032 HydrophobicContact CG1-CG2 4.45Å; L983-V1032 HydrophobicContact CD1-CG1 4.48Å; L983-V1032 HydrophobicContact CD1-CG2 3.51Å; T1028-V1032 HydrophobicContact CG2-CB 4.43Å; T1028-V1032 PolarHBondContact N-O 3.15Å; T1028-V1032 WeakPolarHBondContact OG1-CA 3.03Å; T1028-V1032 WeakPolarHBondContact OG1-CB 2.78Å; T1028-V1032 PolarHBondContact OG1-N 2.96Å; T1028-V1032 PolarHBondContact OG1-O 3.49Å; N1030-V1032 VanDerWaalsContact C-N 3.28Å; N1030-V1032 PolarHBondContact O-N 3.37Å; V1032-L1034 HydrophobicContact CG1-CD2 4.3Å; V1032-L1092 HydrophobicContact CG1-CD1 3.84Å; V1032-L1092 HydrophobicContact CG1-CG 4.09Å; V1032-F1142 HydrophobicContact CG2-CE2 4.17Å; V1032-F1142 HydrophobicContact CG2-CZ 3.8Å
1033	I	96	Very high	87.3	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130	177.6	-63.8	168.7	0	0	0	109.6	W522 W1025 V1026 S1093 V1101 S1134 I1166 W1168	W522-I1033 HydrophobicContact CH2-CG2 4.33Å; W1025-I1033 HydrophobicContact CE3-CG2 4.24Å; W1025-I1033 HydrophobicContact CZ3-CG2 4.45Å; V1026-I1033 CarbonylContact O-C 3.58Å; V1026-I1033 WeakPolarHBondContact O-CA 3.23Å; I1033-S1093 PolarHBondContact O-N 2.99Å; I1033-V1101 HydrophobicContact CD1-CG2 4.32Å; I1033-V1101 HydrophobicContact CG1-CG2 3.79Å; I1033-S1134 VanDerWaalsContact CD1-OG 3.27Å; I1033-S1134 WeakPolarHBondContact CD1-OG 3.38Å; I1033-I1166 HydrophobicContact CD1-CD1 4.41Å; I1033-W1168 HydrophobicContact CD1-CH2 3.4Å; I1033-W1168 HydrophobicContact CD1-CZ2 4.17Å; I1033-W1168 HydrophobicContact CD1-CZ3 4.24Å; I1033-W1168 HydrophobicContact CG2-CH2 4.28Å
1034	L	95.9	Very high	84.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.1	176.8	-56	175	0	0	0	110	I975 Y978 V979 W1025 V1026 V1032 Q1091 L1092	I975-L1034 HydrophobicContact CB-CD1 3.9Å; I975-L1034 HydrophobicContact CD1-CD1 3.78Å; I975-L1034 HydrophobicContact CG1-CD1 4.45Å; I975-L1034 HydrophobicContact CG2-CD1 4.01Å; Y978-L1034 HydrophobicContact CD1-CD2 4.08Å; Y978-L1034 HydrophobicContact CE1-CD2 3.75Å; V979-L1034 HydrophobicContact CG2-CD1 3.92Å; V979-L1034 HydrophobicContact CG2-CD2 4.36Å; W1025-L1034 WeakPolarHBondContact CA-O 3.46Å; V1026-L1034 HydrophobicContact CB-CB 4.18Å; V1026-L1034 PolarHBondContact N-O 3.04Å; V1026-L1034 PolarHBondContact O-N 3.3Å; V1032-L1034 HydrophobicContact CG1-CD2 4.3Å; L1034-Q1091 WeakPolarHBondContact CA-O 3.4Å; L1034-L1092 HydrophobicContact CD2-CB 3.93Å; L1034-L1092 HydrophobicContact CD2-CD1 3.95Å; L1034-L1092 HydrophobicContact CD2-CG 4.02Å
1035	S	95.2	Very high	82	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.1	168.8	-170.8	0	0	0	0	108.9	R1023 Q1091	R1023-S1035 WeakPolarHBondContact CD-OG 3.38Å; R1023-S1035 PolarHBondContact NH1-OG 3.25Å; S1035-Q1091 PolarHBondContact N-O 3.42Å; S1035-Q1091 WeakPolarHBondContact O-CB 2.86Å; S1035-Q1091 PolarHBondContact O-N 3.35Å
1036	I	94.5	Very high	78.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	108.4	-175.2	-49.3	166.5	0	0	0	108	R1023 L1024 V1026 L1038 C1085 M1087 A1090	R1023-I1036 CarbonylContact C-O 3.58Å; R1023-I1036 WeakPolarHBondContact CA-O 3.39Å; L1024-I1036 HydrophobicContact CB-CB 4.37Å; L1024-I1036 PolarHBondContact N-O 2.99Å; L1024-I1036 PolarHBondContact O-N 3.5Å; V1026-I1036 HydrophobicContact CG2-CD1 4.4Å; I1036-L1038 PolarHBondContact O-N 3.5Å; I1036-C1085 HydrophobicContact CG2-CB 3.87Å; I1036-M1087 HydrophobicContact CD1-CE 4.47Å; I1036-M1087 HydrophobicContact CD1-SD 3.64Å; I1036-A1090 HydrophobicContact CG1-CB 3.91Å; I1036-A1090 HydrophobicContact CG2-CB 4.47Å
1037	P	92.3	Very high	75.5	Confident	8 Å²	8	47.4 Å²	47.4	5%	0.052	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	133.8	172	-24.3	33.9	0	0	0	111.4	P532 L1089	P532-P1037 HydrophobicContact CB-CB 4.31Å; P532-P1037 HydrophobicContact CB-CG 4.21Å; P532-P1037 HydrophobicContact CG-CB 3.82Å; P532-P1037 HydrophobicContact CG-CG 3.47Å; P532-P1037 VanDerWaalsContact CG-CG 3.47Å; P1037-L1089 VanDerWaalsContact CD-O 3.3Å; P1037-L1089 WeakPolarHBondContact CD-O 3.3Å; P1037-L1089 HydrophobicContact CG-CB 4.36Å
1038	L	90.8	Very high	72.2	Confident	27 Å²	27	50.9 Å²	50.9	14%	0.141	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	151.8	177.8	-58.9	176.6	0	0	0	110.7	L945 L1019 K1022 L1024 I1036 P1083 Y1084 C1085	L945-L1038 HydrophobicContact CD2-CD1 3.4Å; L945-L1038 VanDerWaalsContact CD2-CD1 3.4Å; L1019-L1038 HydrophobicContact CD2-CD1 4.04Å; L1019-L1038 HydrophobicContact CD2-CD2 4.12Å; K1022-L1038 WeakPolarHBondContact O-CB 3.49Å; K1022-L1038 VanDerWaalsContact O-CG 3.26Å; K1022-L1038 WeakPolarHBondContact O-CG 3.34Å; K1022-L1038 PolarHBondContact O-N 3.05Å; L1024-L1038 HydrophobicContact CB-CD2 4.01Å; I1036-L1038 PolarHBondContact O-N 3.5Å; L1038-P1083 HydrophobicContact CD1-CB 3.76Å; L1038-P1083 HydrophobicContact CD2-CB 4.06Å; L1038-P1083 HydrophobicContact CG-CB 4.39Å; L1038-Y1084 CarbonylContact C-O 3.52Å; L1038-Y1084 WeakPolarHBondContact CA-O 3.39Å; L1038-C1085 WeakPolarHBondContact CD2-SG 3.37Å
1039	T	86	Confident	68.9	Low	23 Å²	23	54.9 Å²	54.9	14%	0.141	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.8	176	54.6	0	0	0	0	109.5	S1041 Y1084 L1089	T1039-S1041 VanDerWaalsContact C-N 3.27Å; T1039-S1041 PolarHBondContact O-N 3.25Å; T1039-Y1084 PolarHBondContact N-O 3.09Å; T1039-Y1084 WeakPolarHBondContact O-CB 3.36Å; T1039-Y1084 PolarHBondContact O-N 3.18Å; T1039-Y1084 VanDerWaalsContact O-N 3.12Å; T1039-Y1084 PolarHBondContact OG1-O 3.47Å; T1039-L1089 HydrophobicContact CG2-CD1 3.71Å
1040	E	76.6	Confident	65.8	Low	137 Å²	137	63.8 Å²	63.8	64%	0.64	36%	0.364	S	S	*	.	S	Bend	trans	-77.9	-9.7	179.2	-66.1	174.5	-172.3	0	0	113.1	F1081	E1040-F1081 HydrophobicContact CG-CB 4.34Å; E1040-F1081 HydrophobicContact CG-CD2 4.34Å
1041	S	68.3	Low	62.9	Low	83 Å²	83	70.8 Å²	70.8	58%	0.58	40%	0.395	S	S	*	.	S	Bend	trans	-140.7	141.8	-179.8	-57.7	0	0	0	0	112.6	T1039 R1043	T1039-S1041 VanDerWaalsContact C-N 3.27Å; T1039-S1041 PolarHBondContact O-N 3.25Å; S1041-R1043 PolarHBondContact O-N 3.45Å
1042	C	53	Low	59.9	Low	45 Å²	45	75.8 Å²	75.8	30%	0.304	44%	0.436	S	S	.	.			trans	-76.9	107.8	176.3	-165.7	0	0	0	0	110.9	K1044 A1045 Y1084	C1042-K1044 PolarHBondContact O-N 3.16Å; C1042-A1045 PolarHBondContact O-N 3.02Å; C1042-Y1084 HydrophobicContact CB-CD1 4.18Å; C1042-Y1084 HydrophobicContact CB-CE1 4.25Å; C1042-Y1084 HydrophobicContact CB-CG 4.44Å
1043	R	48.4	Very low	56.7	Low	107 Å²	107	82.5 Å²	82.5	40%	0.404	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-61.8	-12.1	-179	-72.1	-178.1	172.3	-167.7	-8	115.6	M529 S1041 A1045 S1046	M529-R1043 PolarHBondContact SD-NH2 3.38Å; S1041-R1043 PolarHBondContact O-N 3.45Å; R1043-A1045 PolarHBondContact O-N 2.86Å; R1043-A1045 VanDerWaalsContact O-N 3.13Å; R1043-S1046 PolarHBondContact O-N 3.44Å; R1043-S1046 PolarHBondContact O-OG 3.42Å
1044	K	40.4	Very low	53.5	Low	198 Å²	198	89.1 Å²	89.1	86%	0.861	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-65.4	-11.7	176.8	-77.4	-177.2	178.5	176.4	0	113.3	C1042	C1042-K1044 PolarHBondContact O-N 3.16Å
1045	A	37	Very low	50.2	Low	69 Å²	69	92.3 Å²	92.3	57%	0.57	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-85	-20.3	176.9	0	0	0	0	0	115	C1042 R1043	C1042-A1045 PolarHBondContact O-N 3.02Å; R1043-A1045 PolarHBondContact O-N 2.86Å; R1043-A1045 VanDerWaalsContact O-N 3.13Å
1046	S	29.6	Very low	47.1	Very low	80 Å²	80	101.5 Å²	101.5	56%	0.559	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-8	-165.3	63.8	0	0	0	0	116.5	R1043 G1048	R1043-S1046 PolarHBondContact O-N 3.44Å; R1043-S1046 PolarHBondContact O-OG 3.42Å; S1046-G1048 VanDerWaalsContact C-N 3.3Å; S1046-G1048 PolarHBondContact O-N 2.9Å
1047	I	30.3	Very low	43.9	Very low	163 Å²	163	104.3 Å²	104.3	84%	0.836	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-5.9	-178.3	-61.3	179.6	0	0	0	112.8
1048	G	27.4	Very low	40.8	Very low	74 Å²	74	107.5 Å²	107.5	76%	0.763	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-12.1	172.2	0	0	0	0	0	115.6	S1046 K1050	S1046-G1048 VanDerWaalsContact C-N 3.3Å; S1046-G1048 PolarHBondContact O-N 2.9Å; G1048-K1050 PolarHBondContact O-N 2.97Å; G1048-K1050 VanDerWaalsContact O-N 3.12Å
1049	A	26.8	Very low	38	Very low	84 Å²	84	112.9 Å²	112.9	69%	0.694	68%	0.675	S	S	*	*			trans	-92.3	66.9	-171.2	0	0	0	0	0	112
1050	K	25	Very low	35.3	Very low	193 Å²	193	115.7 Å²	115.7	84%	0.839	71%	0.709	S	S	*	*	S	Bend	trans	-110.7	110.6	156	-83.3	-170.1	175.2	-177.1	0	108.1	G1048	G1048-K1050 PolarHBondContact O-N 2.97Å; G1048-K1050 VanDerWaalsContact O-N 3.12Å
1051	E	25.4	Very low	32.9	Very low	196 Å²	196	114.2 Å²	114.2	92%	0.916	70%	0.702	S	S	*	*			trans	59.4	86.2	158.9	-61.3	-178.9	169.1	0	0	116.4
1052	A	26.5	Very low	31.3	Very low	104 Å²	104	113.2 Å²	113.2	86%	0.86	70%	0.699	S	S	*	*			trans	-150.9	112.4	141.6	0	0	0	0	0	109.6
1053	D	25.4	Very low	30.2	Very low	141 Å²	141	117.6 Å²	117.6	75%	0.754	72%	0.724	S	S	*	*			trans	-57.5	146.9	170.1	-175.7	30.2	0	0	0	111.9
1054	N	27.9	Very low	29.3	Very low	139 Å²	139	120.4 Å²	120.4	74%	0.743	73%	0.734	S	S	*	*	S	Bend	trans	62.2	114.4	172.1	-65.7	-40.6	0	0	0	119.1
1055	G	28	Very low	29	Very low	67 Å²	67	116 Å²	116	69%	0.691	72%	0.719	S	S	*	*			trans	-62.3	131.5	-179.9	0	0	0	0	0	113.9
1056	H	28.9	Very low	28.7	Very low	194 Å²	194	118.8 Å²	118.8	90%	0.898	72%	0.716	S	S	*	*			trans	-158.2	116.7	133.7	-88.3	-69.1	0	0	0	105.4	A1058	H1056-A1058 PolarHBondContact O-N 3.28Å
1057	G	27.2	Very low	28.6	Very low	58 Å²	58	118.1 Å²	118.1	60%	0.598	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-74.1	121.2	-167.2	0	0	0	0	0	112.7	E1061	G1057-E1061 WeakPolarHBondContact CA-OE2 3.41Å
1058	A	28.3	Very low	28.6	Very low	76 Å²	76	113.6 Å²	113.6	63%	0.628	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-85.4	153	167.6	0	0	0	0	0	110.5	H1056 G1060	H1056-A1058 PolarHBondContact O-N 3.28Å; A1058-G1060 PolarHBondContact O-N 3.5Å
1059	P	31.3	Very low	29.2	Very low	139 Å²	139	115.8 Å²	115.8	90%	0.903	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	122.4	-167.4	28.2	-32.1	0	0	0	111.1
1060	G	29.7	Very low	29.8	Very low	82 Å²	82	117.3 Å²	117.3	85%	0.845	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	134.1	-3.7	-169.6	0	0	0	0	0	113.5	A1058	A1058-G1060 PolarHBondContact O-N 3.5Å
1061	E	26.8	Very low	30.1	Very low	107 Å²	107	111.1 Å²	111.1	50%	0.5	69%	0.692	S	S	.	*			trans	-59.9	132.9	175.4	-160.1	178.1	153.3	0	0	111.6	G1057 R1064	G1057-E1061 WeakPolarHBondContact CA-OE2 3.41Å; E1061-R1064 IonicContact OE1-CZ 3.62Å; E1061-R1064 IonicContact OE1-NE 3.91Å; E1061-R1064 PolarHBondContact OE1-NE 3.12Å; E1061-R1064 VanDerWaalsContact OE1-NE 3.11Å; E1061-R1064 IonicContact OE1-NH2 3.51Å; E1061-R1064 PolarHBondContact OE1-NH2 3.24Å; E1061-R1064 IonicContact OE2-NH2 2.66Å
1062	A	33.3	Very low	30.3	Very low	62 Å²	62	104.3 Å²	104.3	51%	0.512	67%	0.666	S	S	.	*			trans	-52.4	137.6	178.2	0	0	0	0	0	111.1	R1064	A1062-R1064 PolarHBondContact O-N 2.9Å
1063	V	31.5	Very low	30.9	Very low	137 Å²	137	103.3 Å²	103.3	83%	0.83	65%	0.652	S	S	*	*			trans	-39.2	106.7	170.8	176.4	0	0	0	0	108.8	I1065	V1063-I1065 PolarHBondContact O-N 3.44Å
1064	R	27.7	Very low	31.5	Very low	165 Å²	165	104.4 Å²	104.4	62%	0.623	66%	0.658	S	S	*	*			trans	-60.9	112.4	178.1	-78.9	-175.9	179.2	177.8	3.1	107.2	E1061 A1062 Y1066	E1061-R1064 IonicContact OE1-CZ 3.62Å; E1061-R1064 IonicContact OE1-NE 3.91Å; E1061-R1064 PolarHBondContact OE1-NE 3.12Å; E1061-R1064 VanDerWaalsContact OE1-NE 3.11Å; E1061-R1064 IonicContact OE1-NH2 3.51Å; E1061-R1064 PolarHBondContact OE1-NH2 3.24Å; E1061-R1064 IonicContact OE2-NH2 2.66Å; A1062-R1064 PolarHBondContact O-N 2.9Å; R1064-Y1066 PolarHBondContact O-N 2.93Å; R1064-Y1066 VanDerWaalsContact O-N 3.09Å
1065	I	34.4	Very low	32.3	Very low	106 Å²	106	103.2 Å²	103.2	54%	0.544	65%	0.648	S	S	.	*	S	Bend	trans	-65.1	111.6	168.6	-48.3	177.3	0	0	0	104.7	V1063	V1063-I1065 PolarHBondContact O-N 3.44Å
1066	Y	32.3	Very low	33.2	Very low	127 Å²	127	102.9 Å²	102.9	50%	0.498	63%	0.632	S	S	.	*	S	Bend	trans	81.8	70.9	176.7	-41.2	-62.3	0	0	0	117.3	R1064 V1076	R1064-Y1066 PolarHBondContact O-N 2.93Å; R1064-Y1066 VanDerWaalsContact O-N 3.09Å; Y1066-V1076 HydrophobicContact CD1-CB 4.5Å; Y1066-V1076 HydrophobicContact CD1-CG2 3.19Å; Y1066-V1076 HydrophobicContact CE1-CB 4.37Å; Y1066-V1076 HydrophobicContact CE1-CG1 4.02Å; Y1066-V1076 HydrophobicContact CE1-CG2 3.41Å; Y1066-V1076 VanDerWaalsContact CE1-CG2 3.41Å; Y1066-V1076 HydrophobicContact CG-CG2 3.96Å
1067	S	25.5	Very low	34.5	Very low	67 Å²	67	95.4 Å²	95.4	47%	0.469	60%	0.602	S	S	.	*			trans	-170.9	122.9	133.8	15.9	0	0	0	0	106.3
1068	D	31.7	Very low	35.7	Very low	68 Å²	68	97.6 Å²	97.6	36%	0.364	61%	0.606	S	S	.	*			trans	-59.3	159.6	157.8	64.3	16.6	0	0	0	108	T1070 G1071 S1072	D1068-T1070 PolarHBondContact O-N 3.19Å; D1068-T1070 WeakPolarHBondContact OD1-CA 3.46Å; D1068-T1070 WeakPolarHBondContact OD1-CB 3.49Å; D1068-T1070 PolarHBondContact OD1-N 2.95Å; D1068-T1070 PolarHBondContact OD1-OG1 3.29Å; D1068-T1070 PolarHBondContact OD2-OG1 3Å; D1068-G1071 PolarHBondContact O-N 3.02Å; D1068-G1071 VanDerWaalsContact O-N 3.11Å; D1068-G1071 PolarHBondContact OD1-N 3.35Å; D1068-S1072 PolarHBondContact OD1-N 2.94Å; D1068-S1072 PolarHBondContact OD2-OG 3.24Å
1069	A	39.3	Very low	37.4	Very low	119 Å²	119	97.7 Å²	97.7	98%	0.983	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-7.1	172.6	0	0	0	0	0	112.7
1070	T	39.5	Very low	39.5	Very low	117 Å²	117	92.7 Å²	92.7	72%	0.718	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	11.9	178.6	41.4	0	0	0	0	114.2	D1068 S1072	D1068-T1070 PolarHBondContact O-N 3.19Å; D1068-T1070 WeakPolarHBondContact OD1-CA 3.46Å; D1068-T1070 WeakPolarHBondContact OD1-CB 3.49Å; D1068-T1070 PolarHBondContact OD1-N 2.95Å; D1068-T1070 PolarHBondContact OD1-OG1 3.29Å; D1068-T1070 PolarHBondContact OD2-OG1 3Å; T1070-S1072 PolarHBondContact O-N 3.43Å; T1070-S1072 VanDerWaalsContact O-N 3.1Å
1071	G	31	Very low	42.1	Very low	63 Å²	63	91.8 Å²	91.8	65%	0.649	55%	0.554	S	S	*	*			trans	63	15.6	172.2	0	0	0	0	0	115.6	D1068 S1073	D1068-G1071 PolarHBondContact O-N 3.02Å; D1068-G1071 VanDerWaalsContact O-N 3.11Å; D1068-G1071 PolarHBondContact OD1-N 3.35Å; G1071-S1073 PolarHBondContact O-N 3.11Å; G1071-S1073 VanDerWaalsContact O-N 3.15Å
1072	S	30.4	Very low	45.1	Very low	53 Å²	53	87.2 Å²	87.2	37%	0.371	53%	0.533	S	S	.	.			trans	-88.1	80.9	-179	84.9	0	0	0	0	111.4	D1068 T1070 D1074	D1068-S1072 PolarHBondContact OD1-N 2.94Å; D1068-S1072 PolarHBondContact OD2-OG 3.24Å; T1070-S1072 PolarHBondContact O-N 3.43Å; T1070-S1072 VanDerWaalsContact O-N 3.1Å; S1072-D1074 PolarHBondContact O-N 3.01Å; S1072-D1074 VanDerWaalsContact O-N 3.13Å
1073	S	39.6	Very low	47.9	Very low	82 Å²	82	84.3 Å²	84.3	57%	0.573	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-70.4	4.8	174.9	-174.8	0	0	0	0	114	G1071 Q1075	G1071-S1073 PolarHBondContact O-N 3.11Å; G1071-S1073 VanDerWaalsContact O-N 3.15Å; S1073-Q1075 PolarHBondContact O-N 2.73Å
1074	D	36.4	Very low	50.8	Low	165 Å²	165	79 Å²	79	88%	0.882	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-82.2	-1.8	-170.6	-98.6	-4.8	0	0	0	115.2	S1072	S1072-D1074 PolarHBondContact O-N 3.01Å; S1072-D1074 VanDerWaalsContact O-N 3.13Å
1075	Q	46	Very low	53.8	Low	113 Å²	113	71.3 Å²	71.3	53%	0.528	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-92.6	-0	-177.7	-63.9	-153.2	30	0	0	115.7	K965 S1073	K965-Q1075 WeakPolarHBondContact CD-O 3.37Å; K965-Q1075 PolarHBondContact NZ-O 3.45Å; S1073-Q1075 PolarHBondContact O-N 2.73Å
1076	V	47.2	Very low	56.4	Low	60 Å²	60	68 Å²	68	36%	0.364	43%	0.429	S	S	.	.			trans	-86.5	114.7	178.2	-169.8	0	0	0	0	109.4	Y1066 P1078	Y1066-V1076 HydrophobicContact CD1-CB 4.5Å; Y1066-V1076 HydrophobicContact CD1-CG2 3.19Å; Y1066-V1076 HydrophobicContact CE1-CB 4.37Å; Y1066-V1076 HydrophobicContact CE1-CG1 4.02Å; Y1066-V1076 HydrophobicContact CE1-CG2 3.41Å; Y1066-V1076 VanDerWaalsContact CE1-CG2 3.41Å; Y1066-V1076 HydrophobicContact CG-CG2 3.96Å; V1076-P1078 WeakPolarHBondContact O-CD 3.34Å
1077	S	54.6	Low	59	Low	37 Å²	37	63.7 Å²	63.7	26%	0.259	41%	0.414	S	S	.	.			trans	-79.6	124.4	172.6	-68.9	0	0	0	0	108.5	K965 G1079 T1080	K965-S1077 PolarHBondContact NZ-OG 3.45Å; S1077-G1079 PolarHBondContact O-N 2.93Å; S1077-T1080 PolarHBondContact O-N 3.12Å; S1077-T1080 PolarHBondContact O-OG1 3.42Å; S1077-T1080 VanDerWaalsContact O-OG1 3.08Å
1078	P	54.3	Low	62	Low	105 Å²	105	64.3 Å²	64.3	68%	0.682	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	128.5	175.3	-23	32.4	0	0	0	110.9	V1076	V1076-P1078 WeakPolarHBondContact O-CD 3.34Å
1079	G	63.7	Low	64.7	Low	77 Å²	77	62 Å²	62	79%	0.794	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	95	0.8	175.1	0	0	0	0	0	116.7	S1077	S1077-G1079 PolarHBondContact O-N 2.93Å
1080	T	74.2	Confident	67.2	Low	34 Å²	34	56.3 Å²	56.3	21%	0.209	36%	0.355	C	S	.	.			trans	-89	158.3	171.8	57.7	0	0	0	0	112	L612 D947 S1077	L612-T1080 HydrophobicContact CD2-CG2 3.77Å; D947-T1080 WeakPolarHBondContact OD2-CB 3.35Å; D947-T1080 PolarHBondContact OD2-OG1 2.95Å; S1077-T1080 PolarHBondContact O-N 3.12Å; S1077-T1080 PolarHBondContact O-OG1 3.42Å; S1077-T1080 VanDerWaalsContact O-OG1 3.08Å
1081	F	84.8	Confident	69.7	Low	63 Å²	63	50.8 Å²	50.8	28%	0.276	32%	0.321	S	S	.	.			trans	-137	158	176.5	77.7	-83.1	0	0	0	111.3	L945 G946 D947 E1040 P1083	L945-F1081 HydrophobicContact CD1-CZ 4.42Å; L945-F1081 HydrophobicContact CD2-CE2 4.23Å; L945-F1081 HydrophobicContact CD2-CZ 3.64Å; L945-F1081 HydrophobicContact CG-CE1 4.36Å; L945-F1081 HydrophobicContact CG-CE2 4.45Å; L945-F1081 HydrophobicContact CG-CZ 3.68Å; G946-F1081 WeakPolarHBondContact CA-O 3.44Å; D947-F1081 PolarHBondContact N-O 2.86Å; E1040-F1081 HydrophobicContact CG-CB 4.34Å; E1040-F1081 HydrophobicContact CG-CD2 4.34Å; F1081-P1083 HydrophobicContact CE2-CB 4Å
1082	T	89.3	Confident	72.6	Confident	12 Å²	12	47.9 Å²	47.9	7%	0.074	29%	0.291	C	S	.	.			trans	-102	123.9	174.2	-60.2	0	0	0	0	110.2	L961 L970 Y1084	L961-T1082 HydrophobicContact CD2-CG2 3.98Å; L970-T1082 HydrophobicContact CD1-CG2 3.66Å; T1082-Y1084 HydrophobicContact CG2-CD2 3.98Å; T1082-Y1084 HydrophobicContact CG2-CE1 4.25Å; T1082-Y1084 HydrophobicContact CG2-CE2 3.52Å; T1082-Y1084 WeakPolarHBondContact O-CD2 3.28Å; T1082-Y1084 PolarHBondContact O-N 3.41Å
1083	P	92.2	Very high	75.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.273	C	S	.	.			trans	-79.7	71.8	-174.7	35.1	-39.7	0	0	0	112.4	L945 W950 L961 L1038 F1081	L945-P1083 HydrophobicContact CB-CB 4.46Å; L945-P1083 HydrophobicContact CB-CG 4.36Å; L945-P1083 HydrophobicContact CD2-CB 4.44Å; L945-P1083 VanDerWaalsContact O-CD 3.27Å; L945-P1083 WeakPolarHBondContact O-CD 3.41Å; L945-P1083 WeakPolarHBondContact O-CG 3.4Å; W950-P1083 WeakPolarHBondContact CZ2-O 3.27Å; W950-P1083 PolarHBondContact NE1-O 3.07Å; L961-P1083 HydrophobicContact CD1-CG 4.25Å; L1038-P1083 HydrophobicContact CD1-CB 3.76Å; L1038-P1083 HydrophobicContact CD2-CB 4.06Å; L1038-P1083 HydrophobicContact CG-CB 4.39Å; F1081-P1083 HydrophobicContact CE2-CB 4Å
1084	Y	93.7	Very high	77.8	Confident	26 Å²	26	41.5 Å²	41.5	10%	0.102	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	154.8	173	-63.9	-81.8	0	0	0	111.4	L961 L970 Q971 L1038 T1039 C1042 T1082	L961-Y1084 HydrophobicContact CD2-CD1 3.81Å; L961-Y1084 HydrophobicContact CD2-CE1 4.06Å; L961-Y1084 HydrophobicContact CD2-CG 4.38Å; L970-Y1084 HydrophobicContact CB-CE1 4.23Å; Q971-Y1084 HydrophobicContact CB-CD1 4.33Å; L1038-Y1084 CarbonylContact C-O 3.52Å; L1038-Y1084 WeakPolarHBondContact CA-O 3.39Å; T1039-Y1084 PolarHBondContact N-O 3.09Å; T1039-Y1084 WeakPolarHBondContact O-CB 3.36Å; T1039-Y1084 PolarHBondContact O-N 3.18Å; T1039-Y1084 VanDerWaalsContact O-N 3.12Å; T1039-Y1084 PolarHBondContact OG1-O 3.47Å; C1042-Y1084 HydrophobicContact CB-CD1 4.18Å; C1042-Y1084 HydrophobicContact CB-CE1 4.25Å; C1042-Y1084 HydrophobicContact CB-CG 4.44Å; T1082-Y1084 HydrophobicContact CG2-CD2 3.98Å; T1082-Y1084 HydrophobicContact CG2-CE1 4.25Å; T1082-Y1084 HydrophobicContact CG2-CE2 3.52Å; T1082-Y1084 WeakPolarHBondContact O-CD2 3.28Å; T1082-Y1084 PolarHBondContact O-N 3.41Å
1085	C	89.9	Confident	80.4	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.02	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.2	174.5	-72.1	0	0	0	0	111.2	W950 Q971 V973 L1024 I1036 L1038	W950-C1085 HydrophobicContact CH2-CB 4.27Å; W950-C1085 HydrophobicContact CZ2-CB 3.91Å; Q971-C1085 PolarHBondContact NE2-O 3.41Å; V973-C1085 HydrophobicContact CG2-CB 4.47Å; L1024-C1085 VanDerWaalsContact CD2-SG 3.57Å; I1036-C1085 HydrophobicContact CG2-CB 3.87Å; L1038-C1085 WeakPolarHBondContact CD2-SG 3.37Å
1086	D	88.1	Confident	82.6	Confident	36 Å²	36	29.1 Å²	29.1	19%	0.193	18%	0.183	C	C	.	.			trans	-109.7	117.4	167.9	-173	-8.4	0	0	0	109.7	V1088 L1089	D1086-V1088 PolarHBondContact O-N 3.36Å; D1086-V1088 VanDerWaalsContact O-N 3.12Å; D1086-V1088 WeakPolarHBondContact OD1-CB 3.43Å; D1086-V1088 WeakPolarHBondContact OD1-CG2 3.47Å; D1086-V1088 PolarHBondContact OD1-N 3.47Å; D1086-L1089 HydrophobicContact CB-CD1 4.18Å; D1086-L1089 HydrophobicContact CB-CG 4.1Å; D1086-L1089 WeakPolarHBondContact O-CB 3.49Å; D1086-L1089 PolarHBondContact O-N 2.89Å
1087	M	88.7	Confident	84.7	Confident	38 Å²	38	26.2 Å²	26.2	19%	0.187	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-16.8	177.6	-72.1	-56.1	-62.6	0	0	113.4	V973 I975 Y978 I1036 L1089 A1090	V973-M1087 HydrophobicContact CG1-CG 3.57Å; V973-M1087 HydrophobicContact CG1-SD 3.36Å; V973-M1087 WeakPolarHBondContact CG1-SD 3.34Å; I975-M1087 HydrophobicContact CB-CE 4.34Å; I975-M1087 HydrophobicContact CG2-CE 4.05Å; I975-M1087 HydrophobicContact CG2-SD 4.26Å; Y978-M1087 VanDerWaalsContact CB-CE 3.46Å; Y978-M1087 HydrophobicContact CD1-CE 3.95Å; Y978-M1087 HydrophobicContact CD2-CE 4.2Å; Y978-M1087 HydrophobicContact CG-CE 3.6Å; I1036-M1087 HydrophobicContact CD1-CE 4.47Å; I1036-M1087 HydrophobicContact CD1-SD 3.64Å; M1087-L1089 VanDerWaalsContact C-N 3.27Å; M1087-A1090 HydrophobicContact CE-CB 3.97Å; M1087-A1090 VanDerWaalsContact O-CB 3.27Å; M1087-A1090 WeakPolarHBondContact O-CB 3.47Å; M1087-A1090 PolarHBondContact O-N 3.09Å; M1087-A1090 HydrophobicContact SD-CB 4.37Å
1088	V	86.7	Confident	86.2	Confident	80 Å²	80	26.1 Å²	26.1	49%	0.485	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-33.9	170.7	179.9	0	0	0	0	111	P525 L527 D1086 A1090	P525-V1088 VanDerWaalsContact CB-O 3.31Å; P525-V1088 WeakPolarHBondContact CB-O 3.49Å; P525-V1088 WeakPolarHBondContact CG-O 3.43Å; L527-V1088 HydrophobicContact CD1-CG1 4.42Å; L527-V1088 HydrophobicContact CD2-CG1 4.4Å; D1086-V1088 PolarHBondContact O-N 3.36Å; D1086-V1088 VanDerWaalsContact O-N 3.12Å; D1086-V1088 WeakPolarHBondContact OD1-CB 3.43Å; D1086-V1088 WeakPolarHBondContact OD1-CG2 3.47Å; D1086-V1088 PolarHBondContact OD1-N 3.47Å; V1088-A1090 VanDerWaalsContact C-N 3.32Å
1089	L	89.5	Confident	87.8	Confident	19 Å²	19	24.2 Å²	24.2	10%	0.099	14%	0.143	C	C	.	.	S	Bend	trans	-81.7	-10.2	178.2	-58	-179.4	0	0	0	113.2	L527 P1037 T1039 D1086 M1087 Q1091	L527-L1089 HydrophobicContact CD1-CD2 3.4Å; P1037-L1089 VanDerWaalsContact CD-O 3.3Å; P1037-L1089 WeakPolarHBondContact CD-O 3.3Å; P1037-L1089 HydrophobicContact CG-CB 4.36Å; T1039-L1089 HydrophobicContact CG2-CD1 3.71Å; D1086-L1089 HydrophobicContact CB-CD1 4.18Å; D1086-L1089 HydrophobicContact CB-CG 4.1Å; D1086-L1089 WeakPolarHBondContact O-CB 3.49Å; D1086-L1089 PolarHBondContact O-N 2.89Å; M1087-L1089 VanDerWaalsContact C-N 3.27Å; L1089-Q1091 PolarHBondContact O-N 3.19Å
1090	A	91.3	Very high	89.1	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.			trans	-55.9	136.1	-177.8	0	0	0	0	0	111.7	R516 Y978 I1036 M1087 V1088	R516-A1090 PolarHBondContact NH2-O 3.3Å; Y978-A1090 HydrophobicContact CD1-CB 4.42Å; Y978-A1090 HydrophobicContact CD2-CB 4.36Å; Y978-A1090 HydrophobicContact CE1-CB 4Å; Y978-A1090 HydrophobicContact CE2-CB 3.91Å; Y978-A1090 PolarHBondContact OH-O 2.93Å; I1036-A1090 HydrophobicContact CG1-CB 3.91Å; I1036-A1090 HydrophobicContact CG2-CB 4.47Å; M1087-A1090 HydrophobicContact CE-CB 3.97Å; M1087-A1090 VanDerWaalsContact O-CB 3.27Å; M1087-A1090 WeakPolarHBondContact O-CB 3.47Å; M1087-A1090 PolarHBondContact O-N 3.09Å; M1087-A1090 HydrophobicContact SD-CB 4.37Å; V1088-A1090 VanDerWaalsContact C-N 3.32Å
1091	Q	91.8	Very high	90.2	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131	175.4	-56.3	177.8	-17.6	0	0	108.2	W522 S523 L1034 S1035 L1089	W522-Q1091 HydrophobicContact CE3-CB 3.69Å; W522-Q1091 HydrophobicContact CZ3-CB 4.19Å; W522-Q1091 WeakPolarHBondContact CZ3-O 3.44Å; S523-Q1091 WeakPolarHBondContact O-CA 3.38Å; L1034-Q1091 WeakPolarHBondContact CA-O 3.4Å; S1035-Q1091 PolarHBondContact N-O 3.42Å; S1035-Q1091 WeakPolarHBondContact O-CB 2.86Å; S1035-Q1091 PolarHBondContact O-N 3.35Å; L1089-Q1091 PolarHBondContact O-N 3.19Å
1092	L	91.6	Very high	90.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.8	176.9	-178	144.3	0	0	0	109.6	W522 S523 Y978 M982 L983 V1032 L1034 F1094	W522-L1092 CarbonylContact C-O 3.4Å; W522-L1092 WeakPolarHBondContact CA-O 3.17Å; S523-L1092 PolarHBondContact N-O 3.03Å; S523-L1092 PolarHBondContact O-N 3.23Å; Y978-L1092 HydrophobicContact CE1-CB 4.1Å; Y978-L1092 HydrophobicContact CE1-CD1 4.38Å; M982-L1092 HydrophobicContact CB-CD1 3.78Å; M982-L1092 HydrophobicContact CG-CD1 4.35Å; L983-L1092 HydrophobicContact CG-CD1 4.41Å; V1032-L1092 HydrophobicContact CG1-CD1 3.84Å; V1032-L1092 HydrophobicContact CG1-CG 4.09Å; L1034-L1092 HydrophobicContact CD2-CB 3.93Å; L1034-L1092 HydrophobicContact CD2-CD1 3.95Å; L1034-L1092 HydrophobicContact CD2-CG 4.02Å; L1092-F1094 HydrophobicContact CD2-CD1 4.41Å
1093	S	92.6	Very high	91.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	131.2	175.5	-178.6	0	0	0	0	109.9	W522 I1033 H1095	W522-S1093 VanDerWaalsContact CZ3-N 3.33Å; I1033-S1093 PolarHBondContact O-N 2.99Å; S1093-H1095 VanDerWaalsContact C-N 3.25Å; S1093-H1095 VanDerWaalsContact CB-O 3.3Å; S1093-H1095 WeakPolarHBondContact CB-O 3.25Å; S1093-H1095 PolarHBondContact OG-N 3.29Å; S1093-H1095 VanDerWaalsContact OG-N 3.08Å; S1093-H1095 PolarHBondContact OG-O 2.92Å
1094	F	88.4	Confident	91.5	Very high	2 Å²	2	19 Å²	19	1%	0.009	10%	0.097	C	C	.	.	S	Bend	trans	-74	-22.2	167.4	-64.1	-57.2	0	0	0	111.9	V509 Q518 G521 L1092 D1141 F1142 R1143	V509-F1094 HydrophobicContact CB-CE1 4.46Å; V509-F1094 HydrophobicContact CG1-CD1 4.12Å; V509-F1094 HydrophobicContact CG1-CE1 3.54Å; V509-F1094 HydrophobicContact CG1-CZ 3.98Å; V509-F1094 HydrophobicContact CG2-CD1 4.49Å; V509-F1094 HydrophobicContact CG2-CE1 4.02Å; Q518-F1094 HydrophobicContact CB-CE2 4.35Å; Q518-F1094 HydrophobicContact CG-CE2 4Å; Q518-F1094 HydrophobicContact CG-CZ 4.09Å; G521-F1094 VanDerWaalsContact O-CB 3.32Å; G521-F1094 WeakPolarHBondContact O-CB 3.36Å; G521-F1094 WeakPolarHBondContact O-CD2 3.49Å; G521-F1094 PolarHBondContact O-N 3.37Å; L1092-F1094 HydrophobicContact CD2-CD1 4.41Å; F1094-D1141 CarbonylContact O-C 3.55Å; F1094-D1141 WeakPolarHBondContact O-CA 3.38Å; F1094-F1142 HydrophobicContact CD1-CB 4.41Å; F1094-F1142 WeakPolarHBondContact O-CD2 3.41Å; F1094-F1142 PolarHBondContact O-N 3.37Å; F1094-R1143 HydrophobicContact CB-CG 3.91Å; F1094-R1143 HydrophobicContact CD1-CG 3.83Å; F1094-R1143 HydrophobicContact CD2-CG 3.96Å; F1094-R1143 HydrophobicContact CE1-CG 4.33Å; F1094-R1143 HydrophobicContact CE2-CG 4.45Å; F1094-R1143 HydrophobicContact CG-CG 3.63Å
1095	H	91.1	Very high	91.6	Very high	17 Å²	17	18.4 Å²	18.4	8%	0.079	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	122.8	170.3	-57.1	-74.5	0	0	0	109	S1093 Y1139 D1141 R1143 I1166	S1093-H1095 VanDerWaalsContact C-N 3.25Å; S1093-H1095 VanDerWaalsContact CB-O 3.3Å; S1093-H1095 WeakPolarHBondContact CB-O 3.25Å; S1093-H1095 PolarHBondContact OG-N 3.29Å; S1093-H1095 VanDerWaalsContact OG-N 3.08Å; S1093-H1095 PolarHBondContact OG-O 2.92Å; H1095-Y1139 HydrophobicContact CB-CE2 4.25Å; H1095-Y1139 PolarHBondContact CE1-OH 3.35Å; H1095-Y1139 AromaticContact ND1-CE2 3.82Å; H1095-Y1139 AromaticContact ND1-CZ 3.74Å; H1095-Y1139 PolarHBondContact ND1-OH 3.37Å; H1095-D1141 IonicContact CE1-OD2 3.4Å; H1095-R1143 PolarHBondContact CE1-NH2 3.36Å; H1095-R1143 PolarHBondContact NE2-NH2 3.37Å; H1095-I1166 HydrophobicContact CB-CD1 4.37Å; H1095-I1166 HydrophobicContact CB-CG2 4.16Å
1096	G	91.8	Very high	91.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	-174.9	178.9	0	0	0	0	0	112.1	G1031 I1140 I1166	G1031-G1096 CarbonylContact O-C 3.58Å; G1031-G1096 VanDerWaalsContact O-CA 3.26Å; G1031-G1096 WeakPolarHBondContact O-CA 3.47Å; G1096-I1140 PolarHBondContact N-O 3.25Å; G1096-I1140 WeakPolarHBondContact O-CG2 3.5Å; G1096-I1140 PolarHBondContact O-N 2.95Å; G1096-I1166 WeakPolarHBondContact O-CD1 3.48Å
1097	H	91.4	Very high	91.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.			trans	-99.6	158.6	175.3	-63.6	-75	0	0	0	110.9	G1031 D1099 S1134 G1136 G1138 I1140 H1164	G1031-H1097 WeakPolarHBondContact CA-O 3.48Å; G1031-H1097 PolarHBondContact O-N 3.16Å; H1097-D1099 VanDerWaalsContact C-N 3.35Å; H1097-D1099 WeakPolarHBondContact CB-O 3.47Å; H1097-S1134 PolarHBondContact NE2-OG 3.12Å; H1097-G1136 PolarHBondContact CE1-N 3.36Å; H1097-G1136 VanDerWaalsContact CE1-N 3.26Å; H1097-G1136 WeakPolarHBondContact ND1-CA 3.4Å; H1097-G1136 PolarHBondContact ND1-N 2.94Å; H1097-G1136 PolarHBondContact ND1-O 2.95Å; H1097-G1138 VanDerWaalsContact CA-O 3.31Å; H1097-G1138 WeakPolarHBondContact CA-O 3.43Å; H1097-G1138 PolarHBondContact ND1-O 3.47Å; H1097-G1138 VanDerWaalsContact ND1-O 3.16Å; H1097-I1140 VanDerWaalsContact O-CG2 3.31Å; H1097-I1140 WeakPolarHBondContact O-CG2 3.35Å; H1097-H1164 PolarHBondContact CE1-O 3.48Å; H1097-H1164 VanDerWaalsContact CE1-O 3.28Å
1098	R	85.9	Confident	91.9	Very high	35 Å²	35	15.5 Å²	15.5	13%	0.132	8%	0.082	C	C	.	.	S	Bend	trans	-78.8	-25.8	175.5	-71.3	-175.5	164.8	-130.4	-10.2	112.2	E1137 G1138 Y1139 I1140 D1146 D1161	R1098-E1137 PolarHBondContact N-O 3.4Å; R1098-G1138 PolarHBondContact N-O 2.93Å; R1098-Y1139 PolarHBondContact NE-O 3.31Å; R1098-I1140 HydrophobicContact CG-CB 4.31Å; R1098-D1146 IonicContact CZ-OD2 2.71Å; R1098-D1146 IonicContact NH1-OD2 3.54Å; R1098-D1146 IonicContact NH2-OD1 3.74Å; R1098-D1146 PolarHBondContact NH2-OD1 3Å; R1098-D1146 IonicContact NH2-OD2 3.44Å; R1098-D1146 PolarHBondContact NH2-OD2 3.36Å; R1098-D1161 WeakPolarHBondContact CD-OD1 3.45Å; R1098-D1161 IonicContact CZ-OD1 3.65Å; R1098-D1161 VanDerWaalsContact CZ-OD1 3.24Å; R1098-D1161 IonicContact NE-OD1 3.73Å; R1098-D1161 PolarHBondContact NE-OD1 2.96Å; R1098-D1161 IonicContact NH1-OD1 2.73Å; R1098-D1161 PolarHBondContact NH1-OD1 3.38Å
1099	D	87	Confident	91.5	Very high	64 Å²	64	13 Å²	13	34%	0.342	7%	0.07	S	C	.	.	S	Bend	trans	-118.6	-173.5	174	-146.3	-51.7	0	0	0	110.4	G1031 H1097 V1101 E1137	G1031-D1099 WeakPolarHBondContact CA-O 3.44Å; G1031-D1099 PolarHBondContact N-O 3Å; H1097-D1099 VanDerWaalsContact C-N 3.35Å; H1097-D1099 WeakPolarHBondContact CB-O 3.47Å; D1099-V1101 PolarHBondContact O-N 3.45Å; D1099-E1137 HydrophobicContact CB-CB 3.94Å; D1099-E1137 PolarHBondContact N-O 2.84Å
1100	A	92.1	Very high	90.6	Very high	6 Å²	6	14.9 Å²	14.9	5%	0.05	8%	0.084	C	C	.	.			trans	-52.8	134.4	179.2	0	0	0	0	0	112.9	T1015 G1029 K1102	T1015-A1100 HydrophobicContact CG2-CB 4.06Å; G1029-A1100 PolarHBondContact O-N 3.38Å; A1100-K1102 PolarHBondContact O-N 3.47Å
1101	V	96.8	Very high	88.7	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	122.2	168	-169.1	0	0	0	0	108.5	T1015 S1016 T1028 I1033 D1099 L1104	T1015-V1101 VanDerWaalsContact CB-O 3.32Å; T1015-V1101 WeakPolarHBondContact CB-O 3.48Å; T1015-V1101 PolarHBondContact OG1-O 3Å; S1016-V1101 WeakPolarHBondContact OG-CG1 3.43Å; T1028-V1101 PolarHBondContact O-N 3.06Å; T1028-V1101 VanDerWaalsContact O-N 3.16Å; I1033-V1101 HydrophobicContact CD1-CG2 4.32Å; I1033-V1101 HydrophobicContact CG1-CG2 3.79Å; D1099-V1101 PolarHBondContact O-N 3.45Å; V1101-L1104 HydrophobicContact CG1-CG 4.47Å
1102	K	96.8	Very high	86.5	Confident	44 Å²	44	23.9 Å²	23.9	19%	0.191	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-39.4	-172.3	-61.5	-73.1	-174.3	172.7	0	112.1	I552 A1100 G1135	I552-K1102 HydrophobicContact CG2-CB 4.09Å; I552-K1102 HydrophobicContact CG2-CG 4.44Å; I552-K1102 WeakPolarHBondContact O-CD 3.44Å; I552-K1102 VanDerWaalsContact O-CG 3.29Å; I552-K1102 WeakPolarHBondContact O-CG 3.41Å; A1100-K1102 PolarHBondContact O-N 3.47Å; K1102-G1135 WeakPolarHBondContact CB-O 3.44Å; K1102-G1135 PolarHBondContact N-O 3.19Å
1103	F	97.7	Very high	84.1	Confident	11 Å²	11	25.2 Å²	25.2	5%	0.048	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	160.9	176.5	70.8	-103.3	0	0	0	112	I552 A555 I628 V1105 I1133 S1134 G1135 L1165	I552-F1103 HydrophobicContact CG2-CD1 3.64Å; I552-F1103 HydrophobicContact CG2-CE1 3.4Å; A555-F1103 HydrophobicContact CB-CD1 3.65Å; A555-F1103 HydrophobicContact CB-CD2 3.68Å; A555-F1103 HydrophobicContact CB-CE1 3.53Å; A555-F1103 HydrophobicContact CB-CE2 3.6Å; A555-F1103 HydrophobicContact CB-CG 3.71Å; A555-F1103 HydrophobicContact CB-CZ 3.53Å; I628-F1103 HydrophobicContact CD1-CZ 4.33Å; I628-F1103 HydrophobicContact CG1-CZ 4.24Å; I628-F1103 HydrophobicContact CG2-CE1 4Å; I628-F1103 HydrophobicContact CG2-CZ 4.43Å; F1103-V1105 HydrophobicContact CD2-CB 4.39Å; F1103-V1105 HydrophobicContact CD2-CG2 3.82Å; F1103-V1105 HydrophobicContact CE2-CG2 4.27Å; F1103-I1133 HydrophobicContact CE2-CB 4.48Å; F1103-I1133 HydrophobicContact CE2-CG2 4Å; F1103-I1133 HydrophobicContact CZ-CG2 4.38Å; F1103-S1134 WeakPolarHBondContact O-CA 3.29Å; F1103-G1135 PolarHBondContact O-N 2.9Å; F1103-L1165 HydrophobicContact CZ-CD2 3.9Å
1104	L	98.1	Very high	81.3	Confident	16 Å²	16	30.9 Å²	30.9	8%	0.084	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.5	165	-73.5	161.7	0	0	0	107	S1016 L1018 W1025 V1101 V1132 I1133	S1016-L1104 WeakPolarHBondContact OG-CD1 3.4Å; L1018-L1104 HydrophobicContact CB-CB 3.7Å; L1018-L1104 HydrophobicContact CB-CD1 4.32Å; L1018-L1104 HydrophobicContact CD2-CB 3.93Å; L1018-L1104 HydrophobicContact CG-CB 4.45Å; W1025-L1104 HydrophobicContact CB-CD1 3.93Å; V1101-L1104 HydrophobicContact CG1-CG 4.47Å; L1104-V1132 HydrophobicContact CD2-CG1 4.5Å; L1104-I1133 WeakPolarHBondContact CA-O 3.45Å
1105	V	95.8	Very high	78.9	Confident	12 Å²	12	37.9 Å²	37.9	7%	0.073	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.7	178.8	171.3	0	0	0	0	108.5	A555 A557 V626 F1103 V1107 V1132 I1133	A555-V1105 HydrophobicContact CB-CG2 4.05Å; A557-V1105 HydrophobicContact CB-CG1 3.66Å; V626-V1105 HydrophobicContact CG1-CG1 4.35Å; V626-V1105 HydrophobicContact CG2-CG1 4.38Å; F1103-V1105 HydrophobicContact CD2-CB 4.39Å; F1103-V1105 HydrophobicContact CD2-CG2 3.82Å; F1103-V1105 HydrophobicContact CE2-CG2 4.27Å; V1105-V1107 HydrophobicContact CG1-CG1 4.45Å; V1105-V1132 CarbonylContact O-C 3.54Å; V1105-V1132 WeakPolarHBondContact O-CA 3.41Å; V1105-I1133 PolarHBondContact N-O 3.13Å; V1105-I1133 PolarHBondContact O-N 2.79Å
1106	S	93.6	Very high	76.5	Confident	11 Å²	11	40.4 Å²	40.4	8%	0.077	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.5	172	56	0	0	0	0	111.4	Q622 S1020 V1131	Q622-S1106 PolarHBondContact OE1-O 3.48Å; S1020-S1106 VanDerWaalsContact CB-OG 3.27Å; S1020-S1106 WeakPolarHBondContact CB-OG 3.27Å; S1020-S1106 VanDerWaalsContact OG-CB 3.29Å; S1020-S1106 WeakPolarHBondContact OG-CB 3.47Å; S1020-S1106 PolarHBondContact OG-OG 2.96Å; S1106-V1131 CarbonylContact C-O 3.54Å; S1106-V1131 VanDerWaalsContact CA-O 3.22Å; S1106-V1131 WeakPolarHBondContact CA-O 3.48Å
1107	V	92.1	Very high	73.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	157	175	-64.2	0	0	0	0	110.1	A557 V626 A643 V1105 M1130 V1131	A557-V1107 HydrophobicContact CB-CG1 3.41Å; A557-V1107 VanDerWaalsContact CB-CG1 3.41Å; V626-V1107 HydrophobicContact CG2-CG1 3.89Å; A643-V1107 HydrophobicContact CB-CG2 3.21Å; V1105-V1107 HydrophobicContact CG1-CG1 4.45Å; V1107-M1130 VanDerWaalsContact C-CE 3.46Å; V1107-M1130 CarbonylContact O-C 3.6Å; V1107-M1130 WeakPolarHBondContact O-CA 3.39Å; V1107-V1131 HydrophobicContact CG2-CB 3.94Å; V1107-V1131 PolarHBondContact N-O 2.79Å; V1107-V1131 PolarHBondContact O-N 2.94Å
1108	P	88.2	Confident	70.7	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.039	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	142.6	174.9	26	-34.1	0	0	0	112.5	W620 Q622 N624 S1110 M1130	W620-P1108 HydrophobicContact CE3-CB 4.11Å; W620-P1108 HydrophobicContact CZ3-CB 4.41Å; Q622-P1108 WeakPolarHBondContact O-CG 3.41Å; N624-P1108 PolarHBondContact OD1-O 3.45Å; P1108-S1110 PolarHBondContact O-N 3.49Å; P1108-M1130 VanDerWaalsContact CA-SD 3.56Å; P1108-M1130 HydrophobicContact CB-SD 4.13Å
1109	A	79	Confident	68.4	Low	28 Å²	28	52.7 Å²	52.7	23%	0.231	31%	0.305	C	S	.	.	S	Bend	trans	-91.9	76.2	171.1	0	0	0	0	0	109.2	T1129 V1131	A1109-T1129 WeakPolarHBondContact CA-O 3.23Å; A1109-T1129 HydrophobicContact CB-CG2 3.5Å; A1109-T1129 VanDerWaalsContact CB-CG2 3.5Å; A1109-T1129 WeakPolarHBondContact CB-O 3.45Å; A1109-T1129 PolarHBondContact N-O 3.28Å; A1109-V1131 HydrophobicContact CB-CG2 3.47Å; A1109-V1131 VanDerWaalsContact CB-CG2 3.47Å
1110	S	69.1	Low	66	Low	57 Å²	57	58 Å²	58	40%	0.399	33%	0.327	S	S	.	.	S	Bend	trans	-159.8	147.8	172.3	-166.7	0	0	0	0	110.8	N624 P1108 A1112	N624-S1110 PolarHBondContact ND2-O 2.99Å; N624-S1110 PolarHBondContact OD1-O 3.43Å; P1108-S1110 PolarHBondContact O-N 3.49Å; S1110-A1112 VanDerWaalsContact C-N 3.26Å; S1110-A1112 PolarHBondContact O-N 3.43Å
1111	E	53.1	Low	62.9	Low	154 Å²	154	66.3 Å²	66.3	72%	0.72	36%	0.363	S	S	*	.			trans	-67.2	89.7	165.2	-66.6	-175.6	170.1	0	0	108.2	S1113 D1114	E1111-S1113 PolarHBondContact O-N 2.95Å; E1111-D1114 PolarHBondContact O-N 2.97Å
1112	A	45.1	Very low	59.6	Low	37 Å²	37	71.1 Å²	71.1	31%	0.306	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-60.4	1.4	-178.3	0	0	0	0	0	114.5	S1110 D1114	S1110-A1112 VanDerWaalsContact C-N 3.26Å; S1110-A1112 PolarHBondContact O-N 3.43Å; A1112-D1114 VanDerWaalsContact C-N 3.28Å; A1112-D1114 PolarHBondContact O-N 3.38Å
1113	S	40.8	Very low	56.6	Low	28 Å²	28	76.2 Å²	76.2	20%	0.196	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-58.1	-34.8	172.5	-101.2	0	0	0	0	113.3	E797 E1111	E797-S1113 WeakPolarHBondContact CB-OG 3.35Å; E797-S1113 PolarHBondContact N-OG 3.22Å; E797-S1113 PolarHBondContact OE2-OG 3.43Å; E1111-S1113 PolarHBondContact O-N 2.95Å
1114	D	32.9	Very low	53.4	Low	119 Å²	119	83.7 Å²	83.7	64%	0.636	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-92.6	-5.3	-170.5	-85.7	-3.1	0	0	0	115.2	E1111 A1112 V1118	E1111-D1114 PolarHBondContact O-N 2.97Å; A1112-D1114 VanDerWaalsContact C-N 3.28Å; A1112-D1114 PolarHBondContact O-N 3.38Å; D1114-V1118 WeakPolarHBondContact O-CG2 3.47Å
1115	R	39.4	Very low	50.6	Low	149 Å²	149	89 Å²	89	56%	0.562	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-27.3	-177.6	-82.9	-173.3	163.5	-179.7	-4.4	114.4	S1117	R1115-S1117 VanDerWaalsContact C-N 3.3Å; R1115-S1117 PolarHBondContact O-N 3.46Å
1116	A	39.5	Very low	48	Very low	70 Å²	70	99.3 Å²	99.3	58%	0.579	53%	0.532	S	S	*	.	S	Bend	trans	-76.8	-16.4	-179.7	0	0	0	0	0	113.4
1117	S	33.2	Very low	46.1	Very low	90 Å²	90	101.2 Å²	101.2	63%	0.629	55%	0.554	S	S	*	*	S	Bend	trans	-105.6	-7.7	-179.3	57.2	0	0	0	0	114.3	R1115	R1115-S1117 VanDerWaalsContact C-N 3.3Å; R1115-S1117 PolarHBondContact O-N 3.46Å
1118	V	29.2	Very low	45.1	Very low	83 Å²	83	102.6 Å²	102.6	50%	0.503	56%	0.564	S	S	.	*			trans	-116.3	58.4	179	-167.1	0	0	0	0	110.1	D1114 K1121	D1114-V1118 WeakPolarHBondContact O-CG2 3.47Å; V1118-K1121 HydrophobicContact CG1-CB 4.31Å
1119	V	38.1	Very low	45	Very low	121 Å²	121	103.5 Å²	103.5	73%	0.733	57%	0.569	S	S	*	*	S	Bend	trans	-74.7	122.8	145	-175.1	0	0	0	0	104.1
1120	E	35.3	Very low	45.5	Very low	174 Å²	174	102.2 Å²	102.2	81%	0.813	56%	0.558	S	S	*	*	S	Bend	trans	87.1	70.8	-172.8	-48.8	-172.3	168.8	0	0	116.7
1121	K	26.5	Very low	46.7	Very low	182 Å²	182	99.8 Å²	99.8	79%	0.791	54%	0.541	S	S	*	.	S	Bend	trans	-169	118.5	132.9	-103.7	156.8	-171	176.6	0	112.4	V1118	V1118-K1121 HydrophobicContact CG1-CB 4.31Å
1122	S	29.4	Very low	48.7	Very low	101 Å²	101	92.4 Å²	92.4	71%	0.706	51%	0.507	S	S	*	.			trans	52.6	107.3	160.2	56.1	0	0	0	0	118.1	E1124	S1122-E1124 PolarHBondContact O-N 2.97Å
1123	T	32.7	Very low	51.1	Low	152 Å²	152	90.7 Å²	90.7	93%	0.933	49%	0.492	S	S	*	.			trans	-65.3	70.8	160.1	50.1	0	0	0	0	111.1
1124	E	30.5	Very low	53.9	Low	167 Å²	167	89.3 Å²	89.3	78%	0.78	48%	0.483	S	S	*	.			trans	-120.6	94.6	162.5	-79.9	-170.4	165.6	0	0	108.6	S1122 R1126	S1122-E1124 PolarHBondContact O-N 2.97Å; E1124-R1126 PolarHBondContact O-N 3.06Å
1125	D	38.3	Very low	56.9	Low	129 Å²	129	83.7 Å²	83.7	69%	0.69	45%	0.453	S	S	*	.			trans	11.6	63.2	151.5	-150	17	0	0	0	117.7	G1127 L1174	D1125-G1127 PolarHBondContact O-N 3.08Å; D1125-L1174 WeakPolarHBondContact OD1-CD1 3.41Å
1126	R	42.8	Very low	59.5	Low	227 Å²	227	76.6 Å²	76.6	86%	0.857	43%	0.426	S	S	*	.			trans	-77.7	99.2	163.1	-73.4	-170	-179	-171.5	1.8	107.6	E1124 S1128	E1124-R1126 PolarHBondContact O-N 3.06Å; R1126-S1128 PolarHBondContact O-N 3.06Å; R1126-S1128 VanDerWaalsContact O-N 3.15Å
1127	G	53	Low	61.9	Low	52 Å²	52	75 Å²	75	54%	0.536	41%	0.406	S	S	.	.			trans	-39.5	117.5	-179.5	0	0	0	0	0	112.4	D1125 T1129	D1125-G1127 PolarHBondContact O-N 3.08Å; G1127-T1129 PolarHBondContact O-N 3.31Å
1128	S	72.1	Confident	64.5	Low	29 Å²	29	70.8 Å²	70.8	20%	0.203	38%	0.377	C	S	.	.			trans	-78.8	117.7	-174.9	63.7	0	0	0	0	109.1	W620 R1126 N1172	W620-S1128 WeakPolarHBondContact CH2-O 3.29Å; W620-S1128 VanDerWaalsContact CH2-OG 3.24Å; W620-S1128 WeakPolarHBondContact CH2-OG 3.47Å; W620-S1128 WeakPolarHBondContact CZ2-OG 3.48Å; W620-S1128 VanDerWaalsContact CZ3-CB 3.48Å; R1126-S1128 PolarHBondContact O-N 3.06Å; R1126-S1128 VanDerWaalsContact O-N 3.15Å; S1128-N1172 WeakPolarHBondContact O-CB 3.43Å; S1128-N1172 PolarHBondContact O-N 3.4Å; S1128-N1172 PolarHBondContact OG-ND2 3Å
1129	T	86.1	Confident	67.4	Low	24 Å²	24	68.5 Å²	68.5	15%	0.147	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.5	-178.1	-59.6	0	0	0	0	110.3	W620 A1109 G1127 E1169 K1171	W620-T1129 WeakPolarHBondContact CZ3-O 2.99Å; A1109-T1129 WeakPolarHBondContact CA-O 3.23Å; A1109-T1129 HydrophobicContact CB-CG2 3.5Å; A1109-T1129 VanDerWaalsContact CB-CG2 3.5Å; A1109-T1129 WeakPolarHBondContact CB-O 3.45Å; A1109-T1129 PolarHBondContact N-O 3.28Å; G1127-T1129 PolarHBondContact O-N 3.31Å; T1129-E1169 HydrophobicContact CG2-CG 3.15Å; T1129-E1169 VanDerWaalsContact CG2-OE1 3.27Å; T1129-E1169 WeakPolarHBondContact CG2-OE1 3.46Å; T1129-K1171 HydrophobicContact CG2-CG 4.21Å
1130	M	89.6	Confident	69.5	Low	1 Å²	1	63.2 Å²	63.2	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	154.6	171.6	-67.9	-65.3	-74.1	0	0	110.8	E619 W620 C1021 V1107 P1108 E1169 V1170	E619-M1130 HydrophobicContact CB-CE 4.19Å; W620-M1130 HydrophobicContact CD2-SD 4.15Å; W620-M1130 HydrophobicContact CE3-SD 3.72Å; W620-M1130 HydrophobicContact CH2-CG 3.45Å; W620-M1130 VanDerWaalsContact CH2-CG 3.45Å; W620-M1130 HydrophobicContact CH2-SD 3.66Å; W620-M1130 HydrophobicContact CZ2-CG 3.94Å; W620-M1130 HydrophobicContact CZ2-SD 4.11Å; W620-M1130 HydrophobicContact CZ3-CG 3.85Å; W620-M1130 HydrophobicContact CZ3-SD 3.46Å; W620-M1130 WeakPolarHBondContact CZ3-SD 3.45Å; C1021-M1130 WeakPolarHBondContact SG-CB 3.25Å; C1021-M1130 VanDerWaalsContact SG-CG 3.55Å; V1107-M1130 VanDerWaalsContact C-CE 3.46Å; V1107-M1130 CarbonylContact O-C 3.6Å; V1107-M1130 WeakPolarHBondContact O-CA 3.39Å; P1108-M1130 VanDerWaalsContact CA-SD 3.56Å; P1108-M1130 HydrophobicContact CB-SD 4.13Å; M1130-E1169 CarbonylContact O-C 3.46Å; M1130-E1169 WeakPolarHBondContact O-CA 3.29Å; M1130-V1170 PolarHBondContact N-O 3.06Å; M1130-V1170 PolarHBondContact O-N 3.05Å
1131	V	92.7	Very high	71.8	Confident	6 Å²	6	55.9 Å²	55.9	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.6	168.1	-176.3	0	0	0	0	108.3	A643 S1106 V1107 A1109 I1133 V1167 W1168	A643-V1131 HydrophobicContact CB-CG1 4.4Å; S1106-V1131 CarbonylContact C-O 3.54Å; S1106-V1131 VanDerWaalsContact CA-O 3.22Å; S1106-V1131 WeakPolarHBondContact CA-O 3.48Å; V1107-V1131 HydrophobicContact CG2-CB 3.94Å; V1107-V1131 PolarHBondContact N-O 2.79Å; V1107-V1131 PolarHBondContact O-N 2.94Å; A1109-V1131 HydrophobicContact CB-CG2 3.47Å; A1109-V1131 VanDerWaalsContact CB-CG2 3.47Å; V1131-I1133 HydrophobicContact CG1-CG1 4.09Å; V1131-V1167 HydrophobicContact CG1-CG1 3.15Å; V1131-W1168 CarbonylContact C-O 3.5Å; V1131-W1168 WeakPolarHBondContact CA-O 3.48Å
1132	V	95.2	Very high	74.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.8	172.1	-179.2	0	0	0	0	108.5	L1018 W1025 L1104 V1105 V1167 W1168 V1170	L1018-V1132 HydrophobicContact CD2-CG1 4.18Å; W1025-V1132 HydrophobicContact CD2-CG1 4.08Å; W1025-V1132 HydrophobicContact CE3-CG1 4.1Å; W1025-V1132 HydrophobicContact CH2-CB 4.3Å; W1025-V1132 HydrophobicContact CH2-CG1 4.33Å; W1025-V1132 HydrophobicContact CH2-CG2 4.39Å; W1025-V1132 HydrophobicContact CZ2-CB 4.26Å; W1025-V1132 HydrophobicContact CZ2-CG1 4.35Å; W1025-V1132 HydrophobicContact CZ2-CG2 3.86Å; W1025-V1132 HydrophobicContact CZ3-CG1 4.2Å; L1104-V1132 HydrophobicContact CD2-CG1 4.5Å; V1105-V1132 CarbonylContact O-C 3.54Å; V1105-V1132 WeakPolarHBondContact O-CA 3.41Å; V1132-V1167 CarbonylContact O-C 3.6Å; V1132-V1167 WeakPolarHBondContact O-CA 3.35Å; V1132-W1168 PolarHBondContact N-O 3.35Å; V1132-W1168 PolarHBondContact O-N 3.33Å; V1132-V1170 HydrophobicContact CG2-CG2 3.91Å
1133	I	96.9	Very high	76.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.6	-177.9	-51.7	-177.4	0	0	0	108.9	V626 I641 A643 F1103 L1104 V1105 V1131 L1165 I1166 V1167	V626-I1133 HydrophobicContact CG2-CD1 4.01Å; I641-I1133 HydrophobicContact CD1-CD1 4.14Å; A643-I1133 HydrophobicContact CB-CD1 3.98Å; F1103-I1133 HydrophobicContact CE2-CB 4.48Å; F1103-I1133 HydrophobicContact CE2-CG2 4Å; F1103-I1133 HydrophobicContact CZ-CG2 4.38Å; L1104-I1133 WeakPolarHBondContact CA-O 3.45Å; V1105-I1133 PolarHBondContact N-O 3.13Å; V1105-I1133 PolarHBondContact O-N 2.79Å; V1131-I1133 HydrophobicContact CG1-CG1 4.09Å; I1133-L1165 HydrophobicContact CG2-CB 4.49Å; I1133-L1165 HydrophobicContact CG2-CD1 4.45Å; I1133-L1165 HydrophobicContact CG2-CD2 4.27Å; I1133-I1166 CarbonylContact C-O 3.56Å; I1133-I1166 WeakPolarHBondContact CA-O 3.48Å; I1133-V1167 HydrophobicContact CG1-CG1 4.12Å; I1133-V1167 HydrophobicContact CG1-CG2 4.1Å; I1133-V1167 HydrophobicContact CG2-CG2 4.16Å
1134	S	98	Very high	78	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.7	164.8	73	0	0	0	0	111	I1033 H1097 F1103 L1165 I1166 W1168	I1033-S1134 VanDerWaalsContact CD1-OG 3.27Å; I1033-S1134 WeakPolarHBondContact CD1-OG 3.38Å; H1097-S1134 PolarHBondContact NE2-OG 3.12Å; F1103-S1134 WeakPolarHBondContact O-CA 3.29Å; S1134-L1165 WeakPolarHBondContact O-CA 3.34Å; S1134-I1166 PolarHBondContact N-O 3.03Å; S1134-I1166 PolarHBondContact O-N 3.45Å; S1134-I1166 WeakPolarHBondContact OG-CB 3.41Å; S1134-W1168 WeakPolarHBondContact OG-CH2 3.42Å; S1134-W1168 WeakPolarHBondContact OG-CZ3 3.5Å
1135	G	96.8	Very high	79.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.9	172.5	0	0	0	0	0	111.6	K1102 F1103	K1102-G1135 WeakPolarHBondContact CB-O 3.44Å; K1102-G1135 PolarHBondContact N-O 3.19Å; F1103-G1135 PolarHBondContact O-N 2.9Å
1136	G	94	Very high	79.9	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	169	179.7	0	0	0	0	0	112.6	H1097 H1164	H1097-G1136 PolarHBondContact CE1-N 3.36Å; H1097-G1136 VanDerWaalsContact CE1-N 3.26Å; H1097-G1136 WeakPolarHBondContact ND1-CA 3.4Å; H1097-G1136 PolarHBondContact ND1-N 2.94Å; H1097-G1136 PolarHBondContact ND1-O 2.95Å; G1136-H1164 PolarHBondContact N-O 3.48Å; G1136-H1164 PolarHBondContact O-N 2.93Å
1137	E	88.7	Confident	80.2	Confident	37 Å²	37	25.4 Å²	25.4	17%	0.173	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.7	179.7	-67	175.9	-147	0	0	110.5	K551 R1098 D1099	K551-E1137 WeakPolarHBondContact CD-OE1 3.45Å; K551-E1137 HydrophobicContact CG-CG 4.49Å; K551-E1137 WeakPolarHBondContact CG-OE1 3.49Å; R1098-E1137 PolarHBondContact N-O 3.4Å; D1099-E1137 HydrophobicContact CB-CB 3.94Å; D1099-E1137 PolarHBondContact N-O 2.84Å
1138	G	87.9	Confident	79.9	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.01	15%	0.147	C	C	.	.	S	Bend	trans	68.8	161.4	-174.7	0	0	0	0	0	114.6	H1097 R1098 R1160 D1161 W1162	H1097-G1138 VanDerWaalsContact CA-O 3.31Å; H1097-G1138 WeakPolarHBondContact CA-O 3.43Å; H1097-G1138 PolarHBondContact ND1-O 3.47Å; H1097-G1138 VanDerWaalsContact ND1-O 3.16Å; R1098-G1138 PolarHBondContact N-O 2.93Å; G1138-R1160 CarbonylContact C-O 3.53Å; G1138-R1160 WeakPolarHBondContact CA-O 3.28Å; G1138-D1161 PolarHBondContact N-O 3.31Å; G1138-W1162 WeakPolarHBondContact CA-O 3.41Å; G1138-W1162 PolarHBondContact N-O 3.42Å
1139	Y	90.3	Very high	78.5	Confident	35 Å²	35	31.3 Å²	31.3	14%	0.137	16%	0.161	C	C	.	.			trans	-118.8	143.5	171	167.8	-99.2	0	0	0	110.4	C540 H1095 R1098 D1141 R1160 H1164 I1166	C540-Y1139 HydrophobicContact CB-CD2 4.22Å; C540-Y1139 HydrophobicContact CB-CE2 3.69Å; H1095-Y1139 HydrophobicContact CB-CE2 4.25Å; H1095-Y1139 PolarHBondContact CE1-OH 3.35Å; H1095-Y1139 AromaticContact ND1-CE2 3.82Å; H1095-Y1139 AromaticContact ND1-CZ 3.74Å; H1095-Y1139 PolarHBondContact ND1-OH 3.37Å; R1098-Y1139 PolarHBondContact NE-O 3.31Å; Y1139-D1141 HydrophobicContact CE1-CB 4.47Å; Y1139-R1160 PolarHBondContact N-O 2.67Å; Y1139-H1164 WeakPolarHBondContact CB-CD2 3.48Å; Y1139-H1164 VanDerWaalsContact CB-CG 3.45Å; Y1139-H1164 WeakPolarHBondContact CB-NE2 3.42Å; Y1139-I1166 HydrophobicContact CD2-CD1 4.22Å; Y1139-I1166 HydrophobicContact CD2-CG1 4.32Å
1140	I	82.7	Confident	76.4	Confident	11 Å²	11	36.9 Å²	36.9	6%	0.056	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	139.2	171.6	-174	163.5	0	0	0	112	Y502 G1096 H1097 R1098 F1142	Y502-I1140 HydrophobicContact CD1-CD1 3.25Å; Y502-I1140 HydrophobicContact CD2-CD1 4.2Å; Y502-I1140 HydrophobicContact CE1-CD1 2.89Å; Y502-I1140 HydrophobicContact CE1-CG1 4.37Å; Y502-I1140 HydrophobicContact CE2-CD1 3.87Å; Y502-I1140 HydrophobicContact CG-CD1 3.92Å; G1096-I1140 PolarHBondContact N-O 3.25Å; G1096-I1140 WeakPolarHBondContact O-CG2 3.5Å; G1096-I1140 PolarHBondContact O-N 2.95Å; H1097-I1140 VanDerWaalsContact O-CG2 3.31Å; H1097-I1140 WeakPolarHBondContact O-CG2 3.35Å; R1098-I1140 HydrophobicContact CG-CB 4.31Å; I1140-F1142 HydrophobicContact CD1-CD1 4.14Å; I1140-F1142 HydrophobicContact CD1-CE1 4.1Å; I1140-F1142 HydrophobicContact CG1-CD1 4.46Å; I1140-F1142 HydrophobicContact CG2-CE1 4.12Å; I1140-F1142 HydrophobicContact CG2-CE2 4.08Å; I1140-F1142 HydrophobicContact CG2-CZ 3.8Å
1141	D	84.7	Confident	74.1	Confident	19 Å²	19	45.5 Å²	45.5	10%	0.102	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	110.3	159.8	-171.1	-28.4	0	0	0	109	F1094 H1095 Y1139 R1143 V1144	F1094-D1141 CarbonylContact O-C 3.55Å; F1094-D1141 WeakPolarHBondContact O-CA 3.38Å; H1095-D1141 IonicContact CE1-OD2 3.4Å; Y1139-D1141 HydrophobicContact CE1-CB 4.47Å; D1141-R1143 PolarHBondContact O-N 3.05Å; D1141-R1143 WeakPolarHBondContact OD1-CB 3.48Å; D1141-R1143 WeakPolarHBondContact OD1-CG 3.3Å; D1141-R1143 IonicContact OD1-CZ 3.81Å; D1141-R1143 PolarHBondContact OD1-N 2.94Å; D1141-R1143 IonicContact OD1-NE 3.44Å; D1141-R1143 PolarHBondContact OD1-NE 3.48Å; D1141-R1143 IonicContact OD1-NH2 2.95Å; D1141-R1143 IonicContact OD2-CZ 3.94Å; D1141-R1143 IonicContact OD2-NE 3.59Å; D1141-R1143 PolarHBondContact OD2-NE 3.48Å; D1141-R1143 IonicContact OD2-NH2 3.54Å; D1141-R1143 PolarHBondContact OD2-NH2 3.13Å; D1141-V1144 HydrophobicContact CB-CB 4.29Å; D1141-V1144 CarbonylContact O-C 3.57Å; D1141-V1144 PolarHBondContact O-N 3.1Å
1142	F	79.8	Confident	71.5	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.026	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.6	-179.5	-67.6	-69.4	0	0	0	113.7	Y502 V505 L983 V1032 F1094 I1140	Y502-F1142 HydrophobicContact CE1-CE1 4.2Å; V505-F1142 HydrophobicContact CG1-CB 3.96Å; V505-F1142 HydrophobicContact CG1-CD1 4.06Å; V505-F1142 HydrophobicContact CG1-CG 4.41Å; L983-F1142 HydrophobicContact CD2-CD1 4.41Å; L983-F1142 HydrophobicContact CD2-CG 4.44Å; V1032-F1142 HydrophobicContact CG2-CE2 4.17Å; V1032-F1142 HydrophobicContact CG2-CZ 3.8Å; F1094-F1142 HydrophobicContact CD1-CB 4.41Å; F1094-F1142 WeakPolarHBondContact O-CD2 3.41Å; F1094-F1142 PolarHBondContact O-N 3.37Å; I1140-F1142 HydrophobicContact CD1-CD1 4.14Å; I1140-F1142 HydrophobicContact CD1-CE1 4.1Å; I1140-F1142 HydrophobicContact CG1-CD1 4.46Å; I1140-F1142 HydrophobicContact CG2-CE1 4.12Å; I1140-F1142 HydrophobicContact CG2-CE2 4.08Å; I1140-F1142 HydrophobicContact CG2-CZ 3.8Å
1143	R	72.4	Confident	69	Low	78 Å²	78	56.1 Å²	56.1	29%	0.294	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-36.8	172.7	-56.5	167.9	-65	-178.6	1.1	112.6	V509 F1094 H1095 D1141	V509-R1143 HydrophobicContact CG1-CB 4.37Å; V509-R1143 HydrophobicContact CG1-CG 3.72Å; F1094-R1143 HydrophobicContact CB-CG 3.91Å; F1094-R1143 HydrophobicContact CD1-CG 3.83Å; F1094-R1143 HydrophobicContact CD2-CG 3.96Å; F1094-R1143 HydrophobicContact CE1-CG 4.33Å; F1094-R1143 HydrophobicContact CE2-CG 4.45Å; F1094-R1143 HydrophobicContact CG-CG 3.63Å; H1095-R1143 PolarHBondContact CE1-NH2 3.36Å; H1095-R1143 PolarHBondContact NE2-NH2 3.37Å; D1141-R1143 PolarHBondContact O-N 3.05Å; D1141-R1143 WeakPolarHBondContact OD1-CB 3.48Å; D1141-R1143 WeakPolarHBondContact OD1-CG 3.3Å; D1141-R1143 IonicContact OD1-CZ 3.81Å; D1141-R1143 PolarHBondContact OD1-N 2.94Å; D1141-R1143 IonicContact OD1-NE 3.44Å; D1141-R1143 PolarHBondContact OD1-NE 3.48Å; D1141-R1143 IonicContact OD1-NH2 2.95Å; D1141-R1143 IonicContact OD2-CZ 3.94Å; D1141-R1143 IonicContact OD2-NE 3.59Å; D1141-R1143 PolarHBondContact OD2-NE 3.48Å; D1141-R1143 IonicContact OD2-NH2 3.54Å; D1141-R1143 PolarHBondContact OD2-NH2 3.13Å
1144	V	65.9	Low	66.2	Low	81 Å²	81	64.9 Å²	64.9	49%	0.491	34%	0.337	S	S	.	.	S	Bend	trans	-110	79.3	-173.2	-170.5	0	0	0	0	107.7	D1141	D1141-V1144 HydrophobicContact CB-CB 4.29Å; D1141-V1144 CarbonylContact O-C 3.57Å; D1141-V1144 PolarHBondContact O-N 3.1Å
1145	G	54.2	Low	63.8	Low	9 Å²	9	71.2 Å²	71.2	9%	0.093	38%	0.381	C	S	.	.			trans	-58.2	166.8	174	0	0	0	0	0	112.9	K506 D1147	K506-G1145 PolarHBondContact NZ-O 3.39Å; G1145-D1147 PolarHBondContact O-N 3.02Å
1146	D	54.1	Low	61.8	Low	36 Å²	36	78.9 Å²	78.9	19%	0.193	42%	0.419	C	S	.	.	S	Bend	trans	-70	50.6	-165.5	-126.5	20.3	0	0	0	115.5	R1098 D1148 R1158 R1160	R1098-D1146 IonicContact CZ-OD2 2.71Å; R1098-D1146 IonicContact NH1-OD2 3.54Å; R1098-D1146 IonicContact NH2-OD1 3.74Å; R1098-D1146 PolarHBondContact NH2-OD1 3Å; R1098-D1146 IonicContact NH2-OD2 3.44Å; R1098-D1146 PolarHBondContact NH2-OD2 3.36Å; D1146-D1148 VanDerWaalsContact C-N 3.34Å; D1146-D1148 PolarHBondContact O-N 3.47Å; D1146-R1158 IonicContact OD2-NH1 2.76Å; D1146-R1160 IonicContact OD1-NH1 3.77Å; D1146-R1160 PolarHBondContact OD1-NH1 3.18Å
1147	D	49.2	Very low	60.1	Low	108 Å²	108	83.5 Å²	83.5	58%	0.578	44%	0.442	S	S	*	.			trans	-84.8	3.2	-175.6	-68.1	-18.5	0	0	0	114.3	K506 G1145 E1149	K506-D1147 IonicContact NZ-OD2 2.92Å; K506-D1147 PolarHBondContact NZ-OD2 3.33Å; G1145-D1147 PolarHBondContact O-N 3.02Å; D1147-E1149 PolarHBondContact O-N 2.93Å; D1147-E1149 VanDerWaalsContact O-N 3.09Å
1148	D	46	Very low	59.3	Low	100 Å²	100	87 Å²	87	54%	0.535	45%	0.454	S	S	.	.			trans	-83.4	78.3	174	-62.3	-41.6	0	0	0	109.9	D1146 R1160	D1146-D1148 VanDerWaalsContact C-N 3.34Å; D1146-D1148 PolarHBondContact O-N 3.47Å; D1148-R1160 IonicContact OD2-CZ 2.97Å; D1148-R1160 IonicContact OD2-NH1 2.84Å; D1148-R1160 PolarHBondContact OD2-NH1 3.12Å; D1148-R1160 IonicContact OD2-NH2 3.65Å; D1148-R1160 PolarHBondContact OD2-NH2 3.32Å
1149	E	44	Very low	58.7	Low	106 Å²	106	93 Å²	93	50%	0.495	48%	0.476	S	S	.	.			trans	-97.9	12.7	176.5	-74.1	-149.4	160.4	0	0	114.8	K499 D1147 E1151	K499-E1149 IonicContact NZ-OE1 3.18Å; K499-E1149 PolarHBondContact NZ-OE1 2.75Å; D1147-E1149 PolarHBondContact O-N 2.93Å; D1147-E1149 VanDerWaalsContact O-N 3.09Å; E1149-E1151 VanDerWaalsContact C-N 3.3Å; E1149-E1151 PolarHBondContact O-N 2.99Å
1150	T	41.2	Very low	58.1	Low	141 Å²	141	95.2 Å²	95.2	87%	0.865	48%	0.484	S	S	*	.			trans	-78.9	-0.1	179.4	32.2	0	0	0	0	116
1151	E	40.9	Very low	58.2	Low	181 Å²	181	97.2 Å²	97.2	85%	0.846	50%	0.495	S	S	*	.			trans	-105.1	86.4	170.5	-79.8	-176.1	162.1	0	0	111.2	E1149 G1153	E1149-E1151 VanDerWaalsContact C-N 3.3Å; E1149-E1151 PolarHBondContact O-N 2.99Å; E1151-G1153 PolarHBondContact O-N 3.27Å; E1151-G1153 VanDerWaalsContact O-N 3.1Å
1152	I	37.9	Very low	58.4	Low	168 Å²	168	97.9 Å²	97.9	86%	0.862	50%	0.496	S	S	*	.			trans	-82.1	68.6	165.3	-56.2	168.2	0	0	0	107
1153	G	42.7	Very low	59.1	Low	61 Å²	61	97.8 Å²	97.8	63%	0.629	50%	0.496	S	S	*	.			trans	-108.7	115.6	173.1	0	0	0	0	0	110.1	E1151	E1151-G1153 PolarHBondContact O-N 3.27Å; E1151-G1153 VanDerWaalsContact O-N 3.1Å
1154	R	37.9	Very low	60.1	Low	184 Å²	184	94.3 Å²	94.3	69%	0.694	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	140.1	179.9	-65.9	171.6	173.9	-178.6	-3.9	111.1	E336 M1156	E336-R1154 IonicContact OE1-NH1 3.81Å; E336-R1154 IonicContact OE2-CZ 2.64Å; E336-R1154 IonicContact OE2-NH1 2.93Å; E336-R1154 PolarHBondContact OE2-NH1 3.4Å; R1154-M1156 PolarHBondContact O-N 3.28Å
1155	S	49.4	Very low	61.5	Low	133 Å²	133	90.5 Å²	90.5	93%	0.93	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	9.1	161.7	-158.4	0	0	0	0	121.2
1156	M	53	Low	63.6	Low	161 Å²	161	90 Å²	90	79%	0.793	46%	0.456	S	S	*	.			trans	-111.5	127.5	173.8	-165.6	174.9	-100.1	0	0	110.7	R1154 R1158	R1154-M1156 PolarHBondContact O-N 3.28Å; M1156-R1158 PolarHBondContact O-N 2.9Å
1157	M	60.3	Low	65.6	Low	98 Å²	98	88.3 Å²	88.3	48%	0.483	45%	0.446	S	S	.	.			trans	-57.4	131.4	173.3	-72.4	177.8	89.1	0	0	109.2	P548 T549 W1162	P548-M1157 HydrophobicContact CB-CB 4.49Å; T549-M1157 HydrophobicContact CG2-SD 4.45Å; M1157-W1162 PolarHBondContact O-NE1 3.29Å; M1157-W1162 VanDerWaalsContact O-NE1 3.11Å
1158	R	70.8	Confident	67.8	Low	110 Å²	110	83.2 Å²	83.2	42%	0.415	42%	0.419	S	S	.	.			trans	-62.4	143.7	179.9	-63.6	177	177.7	-177.8	-3.8	109.8	D1146 M1156 R1160 D1161 W1162	D1146-R1158 IonicContact OD2-NH1 2.76Å; M1156-R1158 PolarHBondContact O-N 2.9Å; R1158-R1160 PolarHBondContact O-N 2.92Å; R1158-D1161 WeakPolarHBondContact O-CB 3.43Å; R1158-D1161 PolarHBondContact O-N 3.45Å; R1158-W1162 VanDerWaalsContact O-CD1 3.24Å; R1158-W1162 PolarHBondContact O-NE1 3.1Å
1159	R	75.8	Confident	70	Confident	128 Å²	128	81.3 Å²	81.3	48%	0.483	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-51.4	-35	178	-171.8	174.7	178.1	-169.7	0.5	113.2	P542 E545 D1161 W1162 H1164	P542-R1159 HydrophobicContact CG-CG 3.96Å; E545-R1159 IonicContact OE1-CZ 2.73Å; E545-R1159 IonicContact OE1-NE 3.38Å; E545-R1159 IonicContact OE1-NH2 3.46Å; E545-R1159 PolarHBondContact OE1-NH2 2.95Å; E545-R1159 IonicContact OE2-NH2 3.45Å; R1159-D1161 VanDerWaalsContact C-N 3.29Å; R1159-D1161 PolarHBondContact O-N 3.34Å; R1159-W1162 HydrophobicContact CB-CZ2 4.49Å; R1159-W1162 HydrophobicContact CG-CD2 4.34Å; R1159-W1162 HydrophobicContact CG-CE3 3.93Å; R1159-W1162 HydrophobicContact CG-CH2 4.35Å; R1159-W1162 HydrophobicContact CG-CZ3 3.92Å; R1159-W1162 WeakPolarHBondContact O-CB 3.38Å; R1159-W1162 PolarHBondContact O-N 3.37Å; R1159-H1164 PolarHBondContact O-CE1 2.89Å
1160	R	78.1	Confident	72.1	Confident	81 Å²	81	76.3 Å²	76.3	31%	0.306	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-69.1	-17.1	176.8	-70.8	-173.6	-176.3	156.1	8.1	114.7	G1138 Y1139 D1146 D1148 R1158	G1138-R1160 CarbonylContact C-O 3.53Å; G1138-R1160 WeakPolarHBondContact CA-O 3.28Å; Y1139-R1160 PolarHBondContact N-O 2.67Å; D1146-R1160 IonicContact OD1-NH1 3.77Å; D1146-R1160 PolarHBondContact OD1-NH1 3.18Å; D1148-R1160 IonicContact OD2-CZ 2.97Å; D1148-R1160 IonicContact OD2-NH1 2.84Å; D1148-R1160 PolarHBondContact OD2-NH1 3.12Å; D1148-R1160 IonicContact OD2-NH2 3.65Å; D1148-R1160 PolarHBondContact OD2-NH2 3.32Å; R1158-R1160 PolarHBondContact O-N 2.92Å
1161	D	84.3	Confident	74.2	Confident	53 Å²	53	75.7 Å²	75.7	28%	0.283	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-89	-9.2	178.4	-65.7	-40.7	0	0	0	112.5	R1098 G1138 R1158 R1159	R1098-D1161 WeakPolarHBondContact CD-OD1 3.45Å; R1098-D1161 IonicContact CZ-OD1 3.65Å; R1098-D1161 VanDerWaalsContact CZ-OD1 3.24Å; R1098-D1161 IonicContact NE-OD1 3.73Å; R1098-D1161 PolarHBondContact NE-OD1 2.96Å; R1098-D1161 IonicContact NH1-OD1 2.73Å; R1098-D1161 PolarHBondContact NH1-OD1 3.38Å; G1138-D1161 PolarHBondContact N-O 3.31Å; R1158-D1161 WeakPolarHBondContact O-CB 3.43Å; R1158-D1161 PolarHBondContact O-N 3.45Å; R1159-D1161 VanDerWaalsContact C-N 3.29Å; R1159-D1161 PolarHBondContact O-N 3.34Å
1162	W	88.8	Confident	75.4	Confident	32 Å²	32	69.4 Å²	69.4	12%	0.121	34%	0.341	C	S	.	.	S	Bend	trans	-70.1	167.7	-179.4	-57.6	-4.6	0	0	0	111.8	P542 E545 P548 G1138 M1157 R1158 R1159 H1164	P542-W1162 HydrophobicContact CB-CB 4.29Å; P542-W1162 HydrophobicContact CB-CE3 3.92Å; P542-W1162 HydrophobicContact CG-CB 4.4Å; P542-W1162 HydrophobicContact CG-CE3 3.82Å; E545-W1162 HydrophobicContact CB-CZ3 3.9Å; E545-W1162 HydrophobicContact CG-CZ3 4.35Å; E545-W1162 WeakPolarHBondContact O-CH2 3.45Å; E545-W1162 WeakPolarHBondContact O-CZ3 3.09Å; P548-W1162 HydrophobicContact CB-CD2 4.25Å; P548-W1162 HydrophobicContact CB-CG 4.39Å; P548-W1162 HydrophobicContact CB-CZ2 4Å; G1138-W1162 WeakPolarHBondContact CA-O 3.41Å; G1138-W1162 PolarHBondContact N-O 3.42Å; M1157-W1162 PolarHBondContact O-NE1 3.29Å; M1157-W1162 VanDerWaalsContact O-NE1 3.11Å; R1158-W1162 VanDerWaalsContact O-CD1 3.24Å; R1158-W1162 PolarHBondContact O-NE1 3.1Å; R1159-W1162 HydrophobicContact CB-CZ2 4.49Å; R1159-W1162 HydrophobicContact CG-CD2 4.34Å; R1159-W1162 HydrophobicContact CG-CE3 3.93Å; R1159-W1162 HydrophobicContact CG-CH2 4.35Å; R1159-W1162 HydrophobicContact CG-CZ3 3.92Å; R1159-W1162 WeakPolarHBondContact O-CB 3.38Å; R1159-W1162 PolarHBondContact O-N 3.37Å; W1162-H1164 PolarHBondContact O-CE1 2.96Å; W1162-H1164 PolarHBondContact O-N 3.28Å; W1162-H1164 PolarHBondContact O-ND1 3.49Å
1163	S	93.3	Very high	76.1	Confident	4 Å²	4	64.2 Å²	64.2	3%	0.028	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	115.1	174	-84	0	0	0	0	111.4	P542 L543 L550 K551 I552	P542-S1163 CarbonylContact C-O 3.57Å; P542-S1163 VanDerWaalsContact CA-O 3.31Å; P542-S1163 WeakPolarHBondContact CA-O 3.5Å; L543-S1163 PolarHBondContact N-O 3Å; L550-S1163 WeakPolarHBondContact O-CB 3.39Å; L550-S1163 PolarHBondContact O-OG 3.39Å; K551-S1163 WeakPolarHBondContact CA-OG 3.48Å; I552-S1163 PolarHBondContact N-OG 3.29Å
1164	H	93.8	Very high	75.6	Confident	6 Å²	6	71 Å²	71	3%	0.028	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	152	-177.8	-73	68.6	0	0	0	112.3	Q541 H1097 G1136 Y1139 R1159 W1162	Q541-H1164 WeakPolarHBondContact O-CA 3.22Å; H1097-H1164 PolarHBondContact CE1-O 3.48Å; H1097-H1164 VanDerWaalsContact CE1-O 3.28Å; G1136-H1164 PolarHBondContact N-O 3.48Å; G1136-H1164 PolarHBondContact O-N 2.93Å; Y1139-H1164 WeakPolarHBondContact CB-CD2 3.48Å; Y1139-H1164 VanDerWaalsContact CB-CG 3.45Å; Y1139-H1164 WeakPolarHBondContact CB-NE2 3.42Å; R1159-H1164 PolarHBondContact O-CE1 2.89Å; W1162-H1164 PolarHBondContact O-CE1 2.96Å; W1162-H1164 PolarHBondContact O-N 3.28Å; W1162-H1164 PolarHBondContact O-ND1 3.49Å
1165	L	96.9	Very high	77.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.2	160	-60.1	-174.5	0	0	0	110	F539 C540 Q541 L543 I552 I628 I641 F1103 I1133 S1134	F539-L1165 HydrophobicContact CD1-CB 4.31Å; F539-L1165 HydrophobicContact CE1-CB 4.17Å; C540-L1165 WeakPolarHBondContact CA-O 3.3Å; Q541-L1165 PolarHBondContact N-O 2.93Å; Q541-L1165 PolarHBondContact O-N 3.45Å; L543-L1165 HydrophobicContact CB-CG 4.38Å; L543-L1165 HydrophobicContact CD1-CD1 3.8Å; L543-L1165 HydrophobicContact CD1-CG 4.27Å; I552-L1165 HydrophobicContact CD1-CD2 4.02Å; I628-L1165 HydrophobicContact CD1-CD1 3.77Å; I628-L1165 HydrophobicContact CD1-CD2 4.02Å; I628-L1165 HydrophobicContact CD1-CG 4.49Å; I641-L1165 HydrophobicContact CD1-CD1 3.66Å; F1103-L1165 HydrophobicContact CZ-CD2 3.9Å; I1133-L1165 HydrophobicContact CG2-CB 4.49Å; I1133-L1165 HydrophobicContact CG2-CD1 4.45Å; I1133-L1165 HydrophobicContact CG2-CD2 4.27Å; S1134-L1165 WeakPolarHBondContact O-CA 3.34Å
1166	I	96.7	Very high	79	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.7	167.4	-48.8	171	0	0	0	107.4	F539 I1033 H1095 G1096 I1133 S1134 Y1139 W1168	F539-I1166 CarbonylContact O-C 3.56Å; F539-I1166 WeakPolarHBondContact O-CA 3.28Å; I1033-I1166 HydrophobicContact CD1-CD1 4.41Å; H1095-I1166 HydrophobicContact CB-CD1 4.37Å; H1095-I1166 HydrophobicContact CB-CG2 4.16Å; G1096-I1166 WeakPolarHBondContact O-CD1 3.48Å; I1133-I1166 CarbonylContact C-O 3.56Å; I1133-I1166 WeakPolarHBondContact CA-O 3.48Å; S1134-I1166 PolarHBondContact N-O 3.03Å; S1134-I1166 PolarHBondContact O-N 3.45Å; S1134-I1166 WeakPolarHBondContact OG-CB 3.41Å; Y1139-I1166 HydrophobicContact CD2-CD1 4.22Å; Y1139-I1166 HydrophobicContact CD2-CG1 4.32Å; I1166-W1168 HydrophobicContact CB-CH2 3.44Å; I1166-W1168 VanDerWaalsContact CB-CH2 3.44Å; I1166-W1168 HydrophobicContact CB-CZ2 3.98Å; I1166-W1168 HydrophobicContact CB-CZ3 3.87Å; I1166-W1168 HydrophobicContact CD1-CH2 4.3Å; I1166-W1168 HydrophobicContact CG1-CH2 4.47Å; I1166-W1168 HydrophobicContact CG2-CD2 4.24Å; I1166-W1168 HydrophobicContact CG2-CE3 4.29Å; I1166-W1168 HydrophobicContact CG2-CH2 3.2Å; I1166-W1168 HydrophobicContact CG2-CZ2 3.18Å; I1166-W1168 HydrophobicContact CG2-CZ3 3.8Å; I1166-W1168 VanDerWaalsContact O-CZ3 3.3Å; I1166-W1168 WeakPolarHBondContact O-CZ3 3.39Å
1167	V	96.1	Very high	80.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.1	-173.2	-174.2	0	0	0	0	109.5	P537 V538 F539 P646 V1131 V1132 I1133	P537-V1167 CarbonylContact C-O 3.53Å; P537-V1167 WeakPolarHBondContact CA-O 3.33Å; V538-V1167 HydrophobicContact CG2-CB 4.04Å; V538-V1167 HydrophobicContact CG2-CG1 3.72Å; V538-V1167 WeakPolarHBondContact CG2-O 3.32Å; V538-V1167 PolarHBondContact N-O 3.41Å; F539-V1167 HydrophobicContact CB-CB 3.87Å; F539-V1167 HydrophobicContact CB-CG2 3.92Å; F539-V1167 HydrophobicContact CD1-CG2 3.99Å; F539-V1167 HydrophobicContact CG-CG2 4.39Å; F539-V1167 PolarHBondContact N-O 3.18Å; F539-V1167 PolarHBondContact O-N 3.33Å; P646-V1167 HydrophobicContact CB-CG2 3.91Å; P646-V1167 HydrophobicContact CG-CG2 4.02Å; V1131-V1167 HydrophobicContact CG1-CG1 3.15Å; V1132-V1167 CarbonylContact O-C 3.6Å; V1132-V1167 WeakPolarHBondContact O-CA 3.35Å; I1133-V1167 HydrophobicContact CG1-CG1 4.12Å; I1133-V1167 HydrophobicContact CG1-CG2 4.1Å; I1133-V1167 HydrophobicContact CG2-CG2 4.16Å
1168	W	95.1	Very high	81.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.6	175.3	-59.8	-93.4	0	0	0	111.5	W522 P535 V536 W1025 I1033 V1131 V1132 S1134 I1166	W522-W1168 AromaticContact CE2-CD1 3.91Å; W522-W1168 AromaticContact CE2-NE1 3.71Å; W522-W1168 AromaticContact CZ2-CD1 3.69Å; W522-W1168 HydrophobicContact CZ2-CD2 4.29Å; W522-W1168 AromaticContact CZ2-CE2 3.83Å; W522-W1168 HydrophobicContact CZ2-CG 4.2Å; W522-W1168 HydrophobicContact CZ2-CZ2 4.46Å; W522-W1168 AromaticContact CZ2-NE1 3.41Å; W522-W1168 AromaticContact NE1-CD1 3.55Å; W522-W1168 AromaticContact NE1-NE1 3.6Å; P535-W1168 HydrophobicContact CB-CB 3.89Å; P535-W1168 HydrophobicContact CB-CG 4.16Å; V536-W1168 CarbonylContact O-C 3.55Å; V536-W1168 VanDerWaalsContact O-CA 3.25Å; V536-W1168 WeakPolarHBondContact O-CA 3.18Å; W1025-W1168 HydrophobicContact CH2-CB 4.38Å; W1025-W1168 HydrophobicContact CH2-CG 4.43Å; W1025-W1168 HydrophobicContact CZ3-CD2 4.31Å; W1025-W1168 HydrophobicContact CZ3-CE3 4.26Å; I1033-W1168 HydrophobicContact CD1-CH2 3.4Å; I1033-W1168 HydrophobicContact CD1-CZ2 4.17Å; I1033-W1168 HydrophobicContact CD1-CZ3 4.24Å; I1033-W1168 HydrophobicContact CG2-CH2 4.28Å; V1131-W1168 CarbonylContact C-O 3.5Å; V1131-W1168 WeakPolarHBondContact CA-O 3.48Å; V1132-W1168 PolarHBondContact N-O 3.35Å; V1132-W1168 PolarHBondContact O-N 3.33Å; S1134-W1168 WeakPolarHBondContact OG-CH2 3.42Å; S1134-W1168 WeakPolarHBondContact OG-CZ3 3.5Å; I1166-W1168 HydrophobicContact CB-CH2 3.44Å; I1166-W1168 VanDerWaalsContact CB-CH2 3.44Å; I1166-W1168 HydrophobicContact CB-CZ2 3.98Å; I1166-W1168 HydrophobicContact CB-CZ3 3.87Å; I1166-W1168 HydrophobicContact CD1-CH2 4.3Å; I1166-W1168 HydrophobicContact CG1-CH2 4.47Å; I1166-W1168 HydrophobicContact CG2-CD2 4.24Å; I1166-W1168 HydrophobicContact CG2-CE3 4.29Å; I1166-W1168 HydrophobicContact CG2-CH2 3.2Å; I1166-W1168 HydrophobicContact CG2-CZ2 3.18Å; I1166-W1168 HydrophobicContact CG2-CZ3 3.8Å; I1166-W1168 VanDerWaalsContact O-CZ3 3.3Å; I1166-W1168 WeakPolarHBondContact O-CZ3 3.39Å
1169	E	92.2	Very high	82.3	Confident	61 Å²	61	50.3 Å²	50.3	29%	0.285	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	129.4	164.8	-170.4	-172.5	146	0	0	109.6	P535 V536 V538 T1129 M1130 K1171	P535-E1169 CarbonylContact C-O 3.54Å; P535-E1169 WeakPolarHBondContact CA-O 3.47Å; V536-E1169 PolarHBondContact N-O 3.25Å; V536-E1169 PolarHBondContact O-N 3.24Å; V538-E1169 HydrophobicContact CG1-CB 3.92Å; T1129-E1169 HydrophobicContact CG2-CG 3.15Å; T1129-E1169 VanDerWaalsContact CG2-OE1 3.27Å; T1129-E1169 WeakPolarHBondContact CG2-OE1 3.46Å; M1130-E1169 CarbonylContact O-C 3.46Å; M1130-E1169 WeakPolarHBondContact O-CA 3.29Å; E1169-K1171 WeakPolarHBondContact OE1-CE 3.29Å
1170	V	90.1	Very high	82.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	106.3	179.2	-169.4	0	0	0	0	108.4	P535 C1021 W1025 M1130 V1132	P535-V1170 HydrophobicContact CB-CG2 3.94Å; P535-V1170 HydrophobicContact CG-CG2 4.12Å; C1021-V1170 HydrophobicContact CB-CB 4.37Å; C1021-V1170 HydrophobicContact CB-CG1 3.7Å; W1025-V1170 HydrophobicContact CH2-CG2 4.28Å; W1025-V1170 HydrophobicContact CZ2-CG2 3.79Å; M1130-V1170 PolarHBondContact N-O 3.06Å; M1130-V1170 PolarHBondContact O-N 3.05Å; V1132-V1170 HydrophobicContact CG2-CG2 3.91Å
1171	K	83.9	Confident	83	Confident	128 Å²	128	42.5 Å²	42.5	56%	0.557	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76	129.9	172.3	-61.8	-175.4	177.8	-177.9	0	108.8	S533 T1129 E1169 G1173	S533-K1171 WeakPolarHBondContact CB-O 3.31Å; S533-K1171 PolarHBondContact OG-O 3.29Å; T1129-K1171 HydrophobicContact CG2-CG 4.21Å; E1169-K1171 WeakPolarHBondContact OE1-CE 3.29Å; K1171-G1173 PolarHBondContact O-N 3.47Å; K1171-G1173 VanDerWaalsContact O-N 3.07Å
1172	N	67.2	Low	82.9	Confident	49 Å²	49	41.7 Å²	41.7	26%	0.262	23%	0.227	S	C	.	.			trans	-64.9	112.6	163	-99.9	-1.2	0	0	0	107.4	W620 S1128 L1174	W620-N1172 WeakPolarHBondContact CZ2-ND2 2.91Å; S1128-N1172 WeakPolarHBondContact O-CB 3.43Å; S1128-N1172 PolarHBondContact O-N 3.4Å; S1128-N1172 PolarHBondContact OG-ND2 3Å; N1172-L1174 PolarHBondContact O-N 3.33Å
1173	G	51.3	Low	82.4	Confident	59 Å²	59	42.5 Å²	42.5	61%	0.608	24%	0.236	S	C	*	.			trans	-77.3	112.1	159.1	0	0	0	0	0	106.8	K1171	K1171-G1173 PolarHBondContact O-N 3.47Å; K1171-G1173 VanDerWaalsContact O-N 3.07Å
1174	L	32.7	Very low	81.4	Confident	202 Å²	202	46 Å²	46	100%	1.058	26%	0.255	S	S	*	.			trans	-72.8	0	157.5	-89.3	159.4	0	0	0	108.9	D1125 N1172	D1125-L1174 WeakPolarHBondContact OD1-CD1 3.41Å; N1172-L1174 PolarHBondContact O-N 3.33Å

Retrieved 1,174 of 1,174 residues in 1975.5 ms (Link to these results)

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