A0A077Z6Q6_TRITR Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB , UniProt , Accession A0A077Z6Q6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,125 aa.

						>A0A077Z6Q6_TRITR|A0A077Z6Q6
MTVGDECTVLELMELMEKRGIEGVQEISDRYGGVDGLCHRLRTSVNDGLCDKDDIEMRRRIYGSNYIPPKPPKSFFRHAWEAMQDLTLLILIAAAVISLGLSFYPNANKSEVDQSAEWIEGAAIFVAILVVVLVTAGNNYSKDKQFRGLQANIEKEQKFCVVRNGQAEQVLVRDIVVGDICLVKYGDLIPADGVIIQCNDLKLDESSLTGESDMVRKGTGLDVMVLSGTHVMEGSGRVVVTAVGLNSQSGIIMKLLGSAQEAKQDGKREIKTSGNANAEPKVSNGLDGHVKQAGDGDETKGRKAEKSVLQGKLTRLSQQIGIAGTVVAVLTIAVLILRYSIEKFVIQQKAFSVNDIHDFVGFVIIGITVLVIAVPEGLPLAVTLSLAYSVKKMMKDNNLVRHLYACETMGNATAICSDKTGTLTTNSMTVVQSYLKGQHFRKLPLWEELPRTLQEMLVYCISINSSYSTQVIPSKTVGEKWQQLGNKTECALLGFLLNMGQGYEELREAIPEEQLIKVYTFNSVRKSMSTVIALPKGRNGYRLLSKGASEVLLRKCQFILGEDGHPQILSEKMVKHLLKNVVENMASNGLRTICLAYRDFVESDANFNEESIVQPIDWDDEDAILTNLTCVSIVGIQDPVRPEVPAAIRNCQMAGITVRMVTGDNLNTARSIAQQCGIINPASDFLVLEGPVFNQKIRDENGNVKQELIDKIWPTLRVLARSSPADKYTLVKGIIESKLSKTREVVAVTGDGTNDGPALRKADVGFAMGIAGTDVAKEASDIILTDDNFISIVKAVMWGRNVYDSIAKFLQFQLTVNLVAVLVAFVGACSIEDSPLKAIQMLWVNLIMDSLAALALATESPQEDLLKRKPYGRKKPIISRQMMKSILGHGIYQLVVVFVLLFAGDRLFDIDSGIGRRTVPTQHFTLIFNVFVLMTLFNMFNARKIHGEHNVFERVYRNPLFCIIWLACVTLQIVIVEVGGYAFFTVSLSLTQWMWCLFFSVGELLWGQLVILIPSHTLPRKMEVGAGDVVEIPLKGFQPIEPDILSLPCEDRSATGLWQWGVNRVQTKIRVIEAFRDGISPEGSFKKSSIFRRSIHKLQSFRGKSPSPNGGQDHSSYELPQTAFH
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	63.9	Low	184 Å²	184	89.5 Å²	89.5	91%	0.906	52%	0.519	S	S	*	.				0	128.5	0	-87.8	164.5	175.7	0	0	107.5	D5	M1-D5 HydrophobicContact CB-CB 4.24Å; M1-D5 VanDerWaalsContact CB-OD2 3.26Å; M1-D5 WeakPolarHBondContact CB-OD2 3.16Å; M1-D5 VanDerWaalsContact CG-OD2 3.28Å; M1-D5 WeakPolarHBondContact CG-OD2 3.22Å
2	T	32.5	Very low	65.9	Low	117 Å²	117	82.3 Å²	82.3	72%	0.718	48%	0.477	S	S	*	.			trans	-55.1	152.8	-174.2	33.9	0	0	0	0	111.8	G4 D5	T2-G4 PolarHBondContact O-N 2.68Å; T2-D5 PolarHBondContact O-N 3.15Å; T2-D5 VanDerWaalsContact O-N 3.09Å
3	V	41.7	Very low	67.5	Low	160 Å²	160	78.8 Å²	78.8	97%	0.97	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	5	-177.4	179.4	0	0	0	0	114.4
4	G	49.8	Very low	68.8	Low	70 Å²	70	80 Å²	80	72%	0.722	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	8	173.6	0	0	0	0	0	116.2	T2	T2-G4 PolarHBondContact O-N 2.68Å
5	D	56.7	Low	70.1	Confident	64 Å²	64	74.9 Å²	74.9	34%	0.342	43%	0.425	S	S	.	.	S	Bend	trans	-95.3	-3.7	-179.4	-99.4	-24.4	0	0	0	114.8	M1 T2	M1-D5 HydrophobicContact CB-CB 4.24Å; M1-D5 VanDerWaalsContact CB-OD2 3.26Å; M1-D5 WeakPolarHBondContact CB-OD2 3.16Å; M1-D5 VanDerWaalsContact CG-OD2 3.28Å; M1-D5 WeakPolarHBondContact CG-OD2 3.22Å; T2-D5 PolarHBondContact O-N 3.15Å; T2-D5 VanDerWaalsContact O-N 3.09Å
6	E	67.4	Low	71.2	Confident	97 Å²	97	70.5 Å²	70.5	45%	0.453	40%	0.399	S	S	.	.	S	Bend	trans	-94.1	131	-178.9	-66.2	-176.8	178.6	0	0	111.2	T8 R42	E6-T8 PolarHBondContact O-N 3.42Å; E6-R42 IonicContact OE1-CZ 3.04Å; E6-R42 VanDerWaalsContact OE1-CZ 3.23Å; E6-R42 IonicContact OE1-NH1 3.62Å; E6-R42 PolarHBondContact OE1-NH1 3.04Å; E6-R42 IonicContact OE1-NH2 3.67Å; E6-R42 PolarHBondContact OE1-NH2 3.41Å
7	C	76.7	Confident	71.9	Confident	5 Å²	5	73.6 Å²	73.6	3%	0.034	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-64.9	129.3	177.5	-61.7	0	0	0	0	111	L12 R40 L41 Y62	C7-L12 HydrophobicContact CB-CD1 4.23Å; C7-L12 HydrophobicContact CB-CD2 4.15Å; C7-L12 HydrophobicContact CB-CG 4.13Å; C7-R40 VanDerWaalsContact SG-CB 3.56Å; C7-L41 HydrophobicContact CB-CD2 4.22Å; C7-Y62 PolarHBondContact O-OH 3.49Å
8	T	85.3	Confident	72.6	Confident	65 Å²	65	74.2 Å²	74.2	40%	0.399	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-80.1	155.9	174.9	66.6	0	0	0	0	111.8	E6 L10 E11 L12	E6-T8 PolarHBondContact O-N 3.42Å; T8-L10 PolarHBondContact O-N 2.8Å; T8-E11 PolarHBondContact N-OE2 3.22Å; T8-E11 PolarHBondContact O-N 3.28Å; T8-E11 WeakPolarHBondContact OG1-CG 3.32Å; T8-E11 PolarHBondContact OG1-N 2.98Å; T8-E11 PolarHBondContact OG1-OE1 3.15Å; T8-L12 PolarHBondContact O-N 3.28Å; T8-L12 VanDerWaalsContact O-N 3.16Å
9	V	85.3	Confident	73	Confident	39 Å²	39	76.4 Å²	76.4	24%	0.236	41%	0.409	C	S	.	.	H	α-helix	trans	-58.2	-39.9	177.2	-175.5	0	0	0	0	111.2	L12 M13 I61 Y62 N246	V9-L12 PolarHBondContact O-N 3.49Å; V9-M13 HydrophobicContact CG1-CG 4.43Å; V9-M13 HydrophobicContact CG1-SD 3.96Å; V9-M13 VanDerWaalsContact O-CG 3.24Å; V9-M13 WeakPolarHBondContact O-CG 3.36Å; V9-M13 PolarHBondContact O-N 3.35Å; V9-I61 WeakPolarHBondContact CG2-O 3.46Å; V9-Y62 HydrophobicContact CG2-CD1 3.88Å; V9-N246 HydrophobicContact CG1-CB 4.5Å
10	L	85.6	Confident	73.4	Confident	121 Å²	121	73.6 Å²	73.6	63%	0.634	40%	0.399	S	S	*	.	H	α-helix	trans	-65.4	-42.5	179.2	-69	173.5	0	0	0	111.8	T8 L12 M13 E14	T8-L10 PolarHBondContact O-N 2.8Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 2.98Å; L10-M13 PolarHBondContact O-N 2.91Å; L10-E14 WeakPolarHBondContact O-CG 3.48Å; L10-E14 PolarHBondContact O-N 3.36Å
11	E	87.9	Confident	73.9	Confident	63 Å²	63	75.3 Å²	75.3	29%	0.294	41%	0.407	S	S	.	.	H	α-helix	trans	-60.2	-42.5	175.6	-77	160.1	-142.8	0	0	112.2	T8 M13 E14 L15	T8-E11 PolarHBondContact N-OE2 3.22Å; T8-E11 PolarHBondContact O-N 3.28Å; T8-E11 WeakPolarHBondContact OG1-CG 3.32Å; T8-E11 PolarHBondContact OG1-N 2.98Å; T8-E11 PolarHBondContact OG1-OE1 3.15Å; E11-M13 VanDerWaalsContact C-N 3.35Å; E11-E14 PolarHBondContact O-N 2.75Å; E11-L15 WeakPolarHBondContact O-CB 3.43Å; E11-L15 PolarHBondContact O-N 3.49Å
12	L	87.7	Confident	76.4	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.01	39%	0.391	C	S	.	.	H	α-helix	trans	-68.5	-35	177.9	-66	172.3	0	0	0	111.9	C7 T8 V9 L10 L15 M16 L37 L41 Y62 V177 T241	C7-L12 HydrophobicContact CB-CD1 4.23Å; C7-L12 HydrophobicContact CB-CD2 4.15Å; C7-L12 HydrophobicContact CB-CG 4.13Å; T8-L12 PolarHBondContact O-N 3.28Å; T8-L12 VanDerWaalsContact O-N 3.16Å; V9-L12 PolarHBondContact O-N 3.49Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 2.98Å; L12-L15 WeakPolarHBondContact O-CB 3.45Å; L12-M16 WeakPolarHBondContact O-CG 3.46Å; L12-M16 PolarHBondContact O-N 3.2Å; L12-L37 HydrophobicContact CD2-CD1 4.3Å; L12-L41 HydrophobicContact CD1-CD2 4.15Å; L12-L41 HydrophobicContact CD2-CD2 4.44Å; L12-Y62 HydrophobicContact CD1-CD1 4Å; L12-Y62 HydrophobicContact CD1-CE1 3.69Å; L12-V177 HydrophobicContact CD1-CG1 3.91Å; L12-T241 WeakPolarHBondContact CD1-O 3.24Å; L12-T241 HydrophobicContact CD2-CG2 4.5Å
13	M	86.5	Confident	78.9	Confident	37 Å²	37	66.8 Å²	66.8	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-66.9	-47.1	174.2	-71.7	171.9	70.1	0	0	111.6	V9 L10 E11 L15 M16 E17 N246 I251	V9-M13 HydrophobicContact CG1-CG 4.43Å; V9-M13 HydrophobicContact CG1-SD 3.96Å; V9-M13 VanDerWaalsContact O-CG 3.24Å; V9-M13 WeakPolarHBondContact O-CG 3.36Å; V9-M13 PolarHBondContact O-N 3.35Å; L10-M13 PolarHBondContact O-N 2.91Å; E11-M13 VanDerWaalsContact C-N 3.35Å; M13-L15 VanDerWaalsContact C-N 3.26Å; M13-L15 PolarHBondContact O-N 3.37Å; M13-M16 PolarHBondContact O-N 3.27Å; M13-M16 VanDerWaalsContact O-N 3.15Å; M13-E17 PolarHBondContact O-N 2.96Å; M13-N246 HydrophobicContact CG-CB 4.21Å; M13-N246 HydrophobicContact SD-CB 4.08Å; M13-I251 HydrophobicContact CE-CD1 3.74Å; M13-I251 HydrophobicContact CE-CG1 4.18Å
14	E	86.8	Confident	80.9	Confident	96 Å²	96	61 Å²	61	45%	0.449	32%	0.321	S	S	.	.	H	α-helix	trans	-59.2	-38.8	175.5	-75.3	178.8	-174.6	0	0	111.8	L10 E11 M16 E17 R30	L10-E14 WeakPolarHBondContact O-CG 3.48Å; L10-E14 PolarHBondContact O-N 3.36Å; E11-E14 PolarHBondContact O-N 2.75Å; E14-M16 VanDerWaalsContact C-N 3.28Å; E14-M16 PolarHBondContact O-N 3.27Å; E14-E17 WeakPolarHBondContact O-CB 3.25Å; E14-E17 PolarHBondContact O-N 3Å; E14-R30 IonicContact OE2-NH1 3.43Å; E14-R30 PolarHBondContact OE2-NH1 2.89Å
15	L	88	Confident	82.7	Confident	4 Å²	4	63 Å²	63	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-58.8	-41.5	176.7	-176.9	64	0	0	0	111.6	E11 L12 M13 E17 K18 E26 I27 Y31 L37 V194 M224	E11-L15 WeakPolarHBondContact O-CB 3.43Å; E11-L15 PolarHBondContact O-N 3.49Å; L12-L15 WeakPolarHBondContact O-CB 3.45Å; M13-L15 VanDerWaalsContact C-N 3.26Å; M13-L15 PolarHBondContact O-N 3.37Å; L15-E17 VanDerWaalsContact C-N 3.26Å; L15-E17 PolarHBondContact O-N 2.79Å; L15-K18 PolarHBondContact O-N 3.07Å; L15-E26 HydrophobicContact CD1-CB 4.26Å; L15-E26 HydrophobicContact CD1-CG 4.1Å; L15-I27 HydrophobicContact CD1-CG1 3.83Å; L15-I27 HydrophobicContact CD2-CG1 4.44Å; L15-Y31 HydrophobicContact CD1-CE2 4.32Å; L15-Y31 HydrophobicContact CD2-CE2 4.13Å; L15-L37 HydrophobicContact CD2-CD2 4.29Å; L15-V194 HydrophobicContact CD2-CG2 4.47Å; L15-M224 HydrophobicContact CD1-CE 3.9Å; L15-M224 HydrophobicContact CG-CE 4.01Å; L15-M224 WeakPolarHBondContact O-CE 3.36Å
16	M	87.1	Confident	84.1	Confident	4 Å²	4	62 Å²	62	2%	0.02	31%	0.305	C	S	.	.	H	α-helix	trans	-75.9	-9.2	-179.5	-65.7	-52.1	-48.9	0	0	114.1	L12 M13 E14 D192 M224 L226 T241 Q248	L12-M16 WeakPolarHBondContact O-CG 3.46Å; L12-M16 PolarHBondContact O-N 3.2Å; M13-M16 PolarHBondContact O-N 3.27Å; M13-M16 VanDerWaalsContact O-N 3.15Å; E14-M16 VanDerWaalsContact C-N 3.28Å; E14-M16 PolarHBondContact O-N 3.27Å; M16-D192 HydrophobicContact CE-CB 3.81Å; M16-D192 HydrophobicContact CG-CB 3.96Å; M16-D192 HydrophobicContact SD-CB 4.17Å; M16-M224 HydrophobicContact CE-CB 4.16Å; M16-M224 HydrophobicContact CE-SD 4.21Å; M16-M224 HydrophobicContact SD-SD 4.05Å; M16-L226 HydrophobicContact CE-CD2 3.68Å; M16-T241 WeakPolarHBondContact CG-OG1 3.48Å; M16-T241 PolarHBondContact SD-OG1 3.03Å; M16-Q248 HydrophobicContact CB-CG 4.31Å
17	E	84.2	Confident	85	Confident	124 Å²	124	57.5 Å²	57.5	58%	0.579	28%	0.284	S	S	*	.	H	α-helix	trans	-78.3	-23.6	172	-66	-177.3	172.1	0	0	112.3	M13 E14 L15	M13-E17 PolarHBondContact O-N 2.96Å; E14-E17 WeakPolarHBondContact O-CB 3.25Å; E14-E17 PolarHBondContact O-N 3Å; L15-E17 VanDerWaalsContact C-N 3.26Å; L15-E17 PolarHBondContact O-N 2.79Å
18	K	84.4	Confident	85.4	Confident	83 Å²	83	60.6 Å²	60.6	36%	0.361	31%	0.306	S	S	.	.			trans	-77.3	143.8	178.8	-57.2	-60.4	-176.5	177.8	0	110.8	L15	L15-K18 PolarHBondContact O-N 3.07Å
19	R	79.1	Confident	85.5	Confident	116 Å²	116	63.7 Å²	63.7	44%	0.438	32%	0.32	S	S	.	.			trans	-128.6	152.9	-179.2	-62	-157.2	-166.3	-151.3	9.8	113.2	I21 E22 E205	R19-I21 PolarHBondContact O-N 3.22Å; R19-E22 PolarHBondContact O-N 2.82Å; R19-E205 IonicContact NH1-OE2 3.96Å; R19-E205 PolarHBondContact NH1-OE2 3.48Å; R19-E205 VanDerWaalsContact NH1-OE2 3.08Å
20	G	81.8	Confident	85.5	Confident	20 Å²	20	66.6 Å²	66.6	21%	0.206	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	-135.5	174.4	0	0	0	0	0	112.2	E22 G23 V24 L221 D222	G20-E22 PolarHBondContact O-N 2.91Å; G20-G23 PolarHBondContact O-N 3.32Å; G20-G23 VanDerWaalsContact O-N 3.12Å; G20-V24 PolarHBondContact O-N 3.01Å; G20-L221 CarbonylContact C-O 3.55Å; G20-D222 PolarHBondContact N-OD1 2.6Å
21	I	83.1	Confident	85.4	Confident	110 Å²	110	61.4 Å²	61.4	56%	0.564	30%	0.299	S	S	*	.	H	α-helix	trans	-63.3	-32.2	-176.3	-59	168.6	0	0	0	111.5	R19 G23 V24 Q25 L221	R19-I21 PolarHBondContact O-N 3.22Å; I21-G23 VanDerWaalsContact C-N 3.29Å; I21-G23 PolarHBondContact O-N 3.14Å; I21-V24 PolarHBondContact O-N 2.97Å; I21-Q25 HydrophobicContact CG2-CG 4.33Å; I21-Q25 WeakPolarHBondContact O-CG 3.38Å; I21-Q25 PolarHBondContact O-N 2.9Å; I21-L221 PolarHBondContact N-O 3.33Å
22	E	86.3	Confident	85.1	Confident	122 Å²	122	61.5 Å²	61.5	57%	0.57	32%	0.316	S	S	*	.	H	α-helix	trans	-61.7	-39.7	176.9	-61.7	-175.5	176.3	0	0	111.3	R19 G20 Q25 E26	R19-E22 PolarHBondContact O-N 2.82Å; G20-E22 PolarHBondContact O-N 2.91Å; E22-Q25 PolarHBondContact O-N 3.41Å; E22-E26 WeakPolarHBondContact O-CB 3.48Å; E22-E26 PolarHBondContact O-N 2.95Å
23	G	84.7	Confident	85	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.8	-38.3	175.9	0	0	0	0	0	112.7	G20 I21 E26 I27	G20-G23 PolarHBondContact O-N 3.32Å; G20-G23 VanDerWaalsContact O-N 3.12Å; I21-G23 VanDerWaalsContact C-N 3.29Å; I21-G23 PolarHBondContact O-N 3.14Å; G23-E26 PolarHBondContact O-N 3.32Å; G23-I27 WeakPolarHBondContact O-CD1 3.16Å; G23-I27 VanDerWaalsContact O-CG1 3.3Å; G23-I27 WeakPolarHBondContact O-CG1 3.36Å; G23-I27 PolarHBondContact O-N 3.49Å; G23-I27 VanDerWaalsContact O-N 3.1Å
24	V	84.5	Confident	84.9	Confident	38 Å²	38	62 Å²	62	23%	0.23	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-44.2	176	-179.5	0	0	0	0	111	G20 I21 I27 S28 V223	G20-V24 PolarHBondContact O-N 3.01Å; I21-V24 PolarHBondContact O-N 2.97Å; V24-I27 PolarHBondContact O-N 3.23Å; V24-S28 WeakPolarHBondContact O-CB 3.16Å; V24-S28 PolarHBondContact O-N 2.88Å; V24-V223 HydrophobicContact CG2-CB 4.46Å; V24-V223 HydrophobicContact CG2-CG1 3.97Å; V24-V223 HydrophobicContact CG2-CG2 3.81Å
25	Q	86.9	Confident	84.8	Confident	114 Å²	114	62.7 Å²	62.7	53%	0.533	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-46	177.1	-73.3	176.5	-11.2	0	0	111.2	I21 E22 I27 S28 D29	I21-Q25 HydrophobicContact CG2-CG 4.33Å; I21-Q25 WeakPolarHBondContact O-CG 3.38Å; I21-Q25 PolarHBondContact O-N 2.9Å; E22-Q25 PolarHBondContact O-N 3.41Å; Q25-I27 VanDerWaalsContact C-N 3.29Å; Q25-I27 PolarHBondContact O-N 2.88Å; Q25-S28 WeakPolarHBondContact O-CB 3.3Å; Q25-S28 PolarHBondContact O-N 2.97Å; Q25-S28 VanDerWaalsContact O-N 3.15Å; Q25-D29 WeakPolarHBondContact O-CB 3.4Å; Q25-D29 VanDerWaalsContact O-CG 3.28Å; Q25-D29 PolarHBondContact O-N 3.47Å
26	E	86.5	Confident	84.7	Confident	41 Å²	41	63.4 Å²	63.4	19%	0.192	34%	0.341	C	S	.	.	H	α-helix	trans	-60.3	-39.9	179.2	-159.9	72.2	-174.8	0	0	112.3	L15 E22 G23 D29 R30	L15-E26 HydrophobicContact CD1-CB 4.26Å; L15-E26 HydrophobicContact CD1-CG 4.1Å; E22-E26 WeakPolarHBondContact O-CB 3.48Å; E22-E26 PolarHBondContact O-N 2.95Å; G23-E26 PolarHBondContact O-N 3.32Å; E26-D29 PolarHBondContact O-N 2.91Å; E26-R30 HydrophobicContact CG-CG 4.4Å; E26-R30 WeakPolarHBondContact O-CB 3.47Å; E26-R30 PolarHBondContact O-N 3.29Å; E26-R30 IonicContact OE1-CZ 3.82Å; E26-R30 IonicContact OE1-NE 2.74Å; E26-R30 PolarHBondContact OE1-NE 3.42Å; E26-R30 IonicContact OE1-NH2 2.58Å; E26-R30 PolarHBondContact OE1-NH2 2.83Å
27	I	86.5	Confident	84.7	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-67	-42.6	177.5	-68.7	164.7	0	0	0	111.1	L15 G23 V24 Q25 Y31 G32 G33 V34 V194 V223 M224	L15-I27 HydrophobicContact CD1-CG1 3.83Å; L15-I27 HydrophobicContact CD2-CG1 4.44Å; G23-I27 WeakPolarHBondContact O-CD1 3.16Å; G23-I27 VanDerWaalsContact O-CG1 3.3Å; G23-I27 WeakPolarHBondContact O-CG1 3.36Å; G23-I27 PolarHBondContact O-N 3.49Å; G23-I27 VanDerWaalsContact O-N 3.1Å; V24-I27 PolarHBondContact O-N 3.23Å; Q25-I27 VanDerWaalsContact C-N 3.29Å; Q25-I27 PolarHBondContact O-N 2.88Å; I27-Y31 WeakPolarHBondContact O-CB 3.35Å; I27-Y31 PolarHBondContact O-N 3.19Å; I27-Y31 VanDerWaalsContact O-N 3.13Å; I27-G32 PolarHBondContact O-N 2.82Å; I27-G33 PolarHBondContact O-N 3Å; I27-V34 HydrophobicContact CG2-CG2 4.22Å; I27-V194 HydrophobicContact CD1-CB 4.49Å; I27-V194 HydrophobicContact CD1-CG1 3.65Å; I27-V194 HydrophobicContact CD1-CG2 3.92Å; I27-V223 HydrophobicContact CD1-CG2 3.57Å; I27-M224 HydrophobicContact CD1-CE 3.62Å; I27-M224 HydrophobicContact CD1-SD 4.33Å; I27-M224 HydrophobicContact CG1-CE 4.23Å
28	S	85	Confident	84.8	Confident	69 Å²	69	57.3 Å²	57.3	48%	0.483	31%	0.312	S	S	.	.	H	α-helix	trans	-62	-46.7	176.4	-173.9	0	0	0	0	111.2	V24 Q25 G32	V24-S28 WeakPolarHBondContact O-CB 3.16Å; V24-S28 PolarHBondContact O-N 2.88Å; Q25-S28 WeakPolarHBondContact O-CB 3.3Å; Q25-S28 PolarHBondContact O-N 2.97Å; Q25-S28 VanDerWaalsContact O-N 3.15Å; S28-G32 VanDerWaalsContact O-CA 3.28Å; S28-G32 WeakPolarHBondContact O-CA 3.3Å; S28-G32 PolarHBondContact O-N 3.4Å; S28-G32 VanDerWaalsContact O-N 3.08Å
29	D	86.9	Confident	84.8	Confident	131 Å²	131	59.2 Å²	59.2	70%	0.701	32%	0.322	S	S	*	.	H	α-helix	trans	-77.3	-43.4	-172	-68.6	-9.9	0	0	0	112.7	Q25 E26	Q25-D29 WeakPolarHBondContact O-CB 3.4Å; Q25-D29 VanDerWaalsContact O-CG 3.28Å; Q25-D29 PolarHBondContact O-N 3.47Å; E26-D29 PolarHBondContact O-N 2.91Å
30	R	85.2	Confident	85.1	Confident	99 Å²	99	57.9 Å²	57.9	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-83.1	-35.3	-177.7	-70.2	-162.7	-174.4	-177.7	11.8	113.8	E14 E26 R40	E14-R30 IonicContact OE2-NH1 3.43Å; E14-R30 PolarHBondContact OE2-NH1 2.89Å; E26-R30 HydrophobicContact CG-CG 4.4Å; E26-R30 WeakPolarHBondContact O-CB 3.47Å; E26-R30 PolarHBondContact O-N 3.29Å; E26-R30 IonicContact OE1-CZ 3.82Å; E26-R30 IonicContact OE1-NE 2.74Å; E26-R30 PolarHBondContact OE1-NE 3.42Å; E26-R30 IonicContact OE1-NH2 2.58Å; E26-R30 PolarHBondContact OE1-NH2 2.83Å; R30-R40 VanDerWaalsContact O-CZ 3.28Å; R30-R40 PolarHBondContact O-NH1 3.15Å; R30-R40 PolarHBondContact O-NH2 3.18Å
31	Y	85	Confident	85.3	Confident	13 Å²	13	57.1 Å²	57.1	5%	0.051	31%	0.308	C	S	.	.	H	α-helix	trans	-116.1	-12.2	-169.2	-57.1	-79.4	0	0	0	113.7	L15 I27 G36 L37	L15-Y31 HydrophobicContact CD1-CE2 4.32Å; L15-Y31 HydrophobicContact CD2-CE2 4.13Å; I27-Y31 WeakPolarHBondContact O-CB 3.35Å; I27-Y31 PolarHBondContact O-N 3.19Å; I27-Y31 VanDerWaalsContact O-N 3.13Å; Y31-G36 VanDerWaalsContact O-CA 3.31Å; Y31-G36 WeakPolarHBondContact O-CA 3.2Å; Y31-L37 HydrophobicContact CD1-CD1 3.89Å; Y31-L37 HydrophobicContact CD2-CD1 4.29Å; Y31-L37 HydrophobicContact CE1-CD1 3.93Å; Y31-L37 HydrophobicContact CE2-CD1 4.3Å; Y31-L37 HydrophobicContact CG-CB 4.27Å; Y31-L37 HydrophobicContact CG-CD1 4.09Å
32	G	81.6	Confident	85.3	Confident	64 Å²	64	59.5 Å²	59.5	66%	0.66	31%	0.31	S	S	*	.	S	Bend	trans	77.9	25	-174.7	0	0	0	0	0	113.2	I27 S28	I27-G32 PolarHBondContact O-N 2.82Å; S28-G32 VanDerWaalsContact O-CA 3.28Å; S28-G32 WeakPolarHBondContact O-CA 3.3Å; S28-G32 PolarHBondContact O-N 3.4Å; S28-G32 VanDerWaalsContact O-N 3.08Å
33	G	84.7	Confident	85.3	Confident	20 Å²	20	54.2 Å²	54.2	21%	0.206	29%	0.286	C	S	.	.	S	Bend	trans	103	178.4	-176.8	0	0	0	0	0	113.7	I27 D35 G36 L37	I27-G33 PolarHBondContact O-N 3Å; G33-D35 VanDerWaalsContact C-N 3.31Å; G33-D35 PolarHBondContact O-N 3.08Å; G33-G36 PolarHBondContact O-N 3.14Å; G33-L37 PolarHBondContact O-N 3.37Å; G33-L37 VanDerWaalsContact O-N 3.11Å
34	V	84.6	Confident	85.3	Confident	29 Å²	29	56.2 Å²	56.2	18%	0.176	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-36.7	-177.1	-176	0	0	0	0	111.5	I27 G36 L37 C38 V194 I196	I27-V34 HydrophobicContact CG2-CG2 4.22Å; V34-G36 VanDerWaalsContact C-N 3.28Å; V34-G36 PolarHBondContact O-N 2.9Å; V34-L37 WeakPolarHBondContact O-CB 3.46Å; V34-L37 PolarHBondContact O-N 3.06Å; V34-C38 PolarHBondContact O-N 2.82Å; V34-C38 PolarHBondContact O-SG 3.43Å; V34-V194 HydrophobicContact CG1-CG1 4.24Å; V34-V194 HydrophobicContact CG2-CG1 4Å; V34-I196 HydrophobicContact CG1-CG1 4.08Å
35	D	85.5	Confident	85.3	Confident	111 Å²	111	56.1 Å²	56.1	59%	0.594	30%	0.3	S	S	*	.	H	α-helix	trans	-61.4	-38.5	175.6	-61.5	-44	0	0	0	111.8	G33 C38 H39	G33-D35 VanDerWaalsContact C-N 3.31Å; G33-D35 PolarHBondContact O-N 3.08Å; D35-C38 PolarHBondContact O-N 3.49Å; D35-H39 WeakPolarHBondContact O-CB 3.48Å; D35-H39 PolarHBondContact O-N 2.84Å
36	G	85.6	Confident	85	Confident	19 Å²	19	55.7 Å²	55.7	20%	0.196	30%	0.301	C	S	.	.	H	α-helix	trans	-69.3	-35.9	175.9	0	0	0	0	0	113.1	Y31 G33 V34 H39 R40	Y31-G36 VanDerWaalsContact O-CA 3.31Å; Y31-G36 WeakPolarHBondContact O-CA 3.2Å; G33-G36 PolarHBondContact O-N 3.14Å; V34-G36 VanDerWaalsContact C-N 3.28Å; V34-G36 PolarHBondContact O-N 2.9Å; G36-H39 PolarHBondContact O-N 2.78Å; G36-R40 WeakPolarHBondContact O-CG 3.38Å; G36-R40 PolarHBondContact O-N 3.07Å
37	L	87.1	Confident	84.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-46.3	170.9	179.5	64.6	0	0	0	111.1	L12 L15 Y31 G33 V34 H39 R40 L41 V194 V239 T241	L12-L37 HydrophobicContact CD2-CD1 4.3Å; L15-L37 HydrophobicContact CD2-CD2 4.29Å; Y31-L37 HydrophobicContact CD1-CD1 3.89Å; Y31-L37 HydrophobicContact CD2-CD1 4.29Å; Y31-L37 HydrophobicContact CE1-CD1 3.93Å; Y31-L37 HydrophobicContact CE2-CD1 4.3Å; Y31-L37 HydrophobicContact CG-CB 4.27Å; Y31-L37 HydrophobicContact CG-CD1 4.09Å; G33-L37 PolarHBondContact O-N 3.37Å; G33-L37 VanDerWaalsContact O-N 3.11Å; V34-L37 WeakPolarHBondContact O-CB 3.46Å; V34-L37 PolarHBondContact O-N 3.06Å; L37-H39 VanDerWaalsContact C-N 3.32Å; L37-H39 PolarHBondContact O-N 2.97Å; L37-R40 PolarHBondContact O-N 3.2Å; L37-L41 HydrophobicContact CD1-CD1 4.2Å; L37-L41 HydrophobicContact CD1-CG 4.39Å; L37-L41 HydrophobicContact CG-CD1 4.13Å; L37-L41 WeakPolarHBondContact O-CB 3.2Å; L37-L41 WeakPolarHBondContact O-CG 3.43Å; L37-L41 PolarHBondContact O-N 2.87Å; L37-V194 HydrophobicContact CD2-CB 4.23Å; L37-V194 HydrophobicContact CD2-CG2 3.97Å; L37-V239 HydrophobicContact CD2-CG1 4.44Å; L37-T241 HydrophobicContact CD2-CG2 4.23Å
38	C	85.7	Confident	84.7	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.007	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-41.2	175.6	-72.8	0	0	0	0	112	V34 D35 L41 R42 T43 V45	V34-C38 PolarHBondContact O-N 2.82Å; V34-C38 PolarHBondContact O-SG 3.43Å; D35-C38 PolarHBondContact O-N 3.49Å; C38-L41 CarbonylContact O-C 3.23Å; C38-L41 PolarHBondContact O-N 3.38Å; C38-R42 PolarHBondContact O-N 3.42Å; C38-T43 CarbonylContact C-O 3.52Å; C38-T43 PolarHBondContact O-N 2.98Å; C38-V45 HydrophobicContact CB-CG2 3.94Å
39	H	84.9	Confident	84.8	Confident	123 Å²	123	54.1 Å²	54.1	57%	0.569	29%	0.289	S	S	*	.	H	α-helix	trans	-63.2	-44.6	176.3	-173.4	-79.2	0	0	0	112.1	D35 G36 L37 L41 R42	D35-H39 WeakPolarHBondContact O-CB 3.48Å; D35-H39 PolarHBondContact O-N 2.84Å; G36-H39 PolarHBondContact O-N 2.78Å; L37-H39 VanDerWaalsContact C-N 3.32Å; L37-H39 PolarHBondContact O-N 2.97Å; H39-L41 VanDerWaalsContact C-N 3.32Å; H39-L41 PolarHBondContact O-N 2.92Å; H39-R42 PolarHBondContact O-N 3.12Å; H39-R42 VanDerWaalsContact O-N 3.08Å
40	R	84.5	Confident	84.2	Confident	88 Å²	88	51.5 Å²	51.5	33%	0.332	28%	0.28	S	S	.	.	H	α-helix	trans	-66	-33.4	176	-69.2	-157.3	-170.3	149.1	7.6	112.9	C7 R30 G36 L37 R42	C7-R40 VanDerWaalsContact SG-CB 3.56Å; R30-R40 VanDerWaalsContact O-CZ 3.28Å; R30-R40 PolarHBondContact O-NH1 3.15Å; R30-R40 PolarHBondContact O-NH2 3.18Å; G36-R40 WeakPolarHBondContact O-CG 3.38Å; G36-R40 PolarHBondContact O-N 3.07Å; L37-R40 PolarHBondContact O-N 3.2Å; R40-R42 PolarHBondContact O-N 2.93Å
41	L	85.5	Confident	83.6	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	5.8	173.1	-67.2	177.1	0	0	0	113.7	C7 L12 L37 C38 H39 T43 R58 V177 V239	C7-L41 HydrophobicContact CB-CD2 4.22Å; L12-L41 HydrophobicContact CD1-CD2 4.15Å; L12-L41 HydrophobicContact CD2-CD2 4.44Å; L37-L41 HydrophobicContact CD1-CD1 4.2Å; L37-L41 HydrophobicContact CD1-CG 4.39Å; L37-L41 HydrophobicContact CG-CD1 4.13Å; L37-L41 WeakPolarHBondContact O-CB 3.2Å; L37-L41 WeakPolarHBondContact O-CG 3.43Å; L37-L41 PolarHBondContact O-N 2.87Å; C38-L41 CarbonylContact O-C 3.23Å; C38-L41 PolarHBondContact O-N 3.38Å; H39-L41 VanDerWaalsContact C-N 3.32Å; H39-L41 PolarHBondContact O-N 2.92Å; L41-T43 VanDerWaalsContact C-N 3.26Å; L41-T43 PolarHBondContact O-N 3.04Å; L41-T43 PolarHBondContact O-OG1 3.08Å; L41-R58 PolarHBondContact O-NH1 2.96Å; L41-R58 VanDerWaalsContact O-NH1 3.14Å; L41-R58 PolarHBondContact O-NH2 3.23Å; L41-V177 HydrophobicContact CD2-CG1 3.98Å; L41-V239 HydrophobicContact CD1-CG2 4.12Å
42	R	84.1	Confident	82.9	Confident	161 Å²	161	58.6 Å²	58.6	61%	0.608	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	43.5	-176.8	-60.4	-176.7	177.3	157	7.4	113	E6 C38 H39 R40	E6-R42 IonicContact OE1-CZ 3.04Å; E6-R42 VanDerWaalsContact OE1-CZ 3.23Å; E6-R42 IonicContact OE1-NH1 3.62Å; E6-R42 PolarHBondContact OE1-NH1 3.04Å; E6-R42 IonicContact OE1-NH2 3.67Å; E6-R42 PolarHBondContact OE1-NH2 3.41Å; C38-R42 PolarHBondContact O-N 3.42Å; H39-R42 PolarHBondContact O-N 3.12Å; H39-R42 VanDerWaalsContact O-N 3.08Å; R40-R42 PolarHBondContact O-N 2.93Å
43	T	85.6	Confident	82.2	Confident	10 Å²	10	61.9 Å²	61.9	6%	0.061	32%	0.32	C	S	.	.			trans	-123.3	133.1	-176.9	-55.8	0	0	0	0	109.7	C38 L41 L49 G178 I180	C38-T43 CarbonylContact C-O 3.52Å; C38-T43 PolarHBondContact O-N 2.98Å; L41-T43 VanDerWaalsContact C-N 3.26Å; L41-T43 PolarHBondContact O-N 3.04Å; L41-T43 PolarHBondContact O-OG1 3.08Å; T43-L49 HydrophobicContact CG2-CD2 4.23Å; T43-L49 WeakPolarHBondContact OG1-CD2 3.3Å; T43-G178 WeakPolarHBondContact CG2-O 3.47Å; T43-G178 PolarHBondContact OG1-O 2.87Å; T43-I180 HydrophobicContact CG2-CD1 4.15Å; T43-I180 HydrophobicContact CG2-CG1 4.03Å
44	S	85.3	Confident	82.1	Confident	43 Å²	43	62.6 Å²	62.6	30%	0.301	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-78	132.5	171.8	172.4	0	0	0	0	109.9	N46 D47 G48 I180	S44-N46 PolarHBondContact O-N 2.78Å; S44-N46 PolarHBondContact OG-N 2.98Å; S44-D47 PolarHBondContact OG-N 3.02Å; S44-D47 VanDerWaalsContact OG-N 3.14Å; S44-D47 PolarHBondContact OG-OD2 3.18Å; S44-G48 PolarHBondContact N-O 2.78Å; S44-G48 VanDerWaalsContact N-O 3.16Å; S44-G48 WeakPolarHBondContact O-CA 3.43Å; S44-G48 PolarHBondContact O-N 3.35Å; S44-I180 WeakPolarHBondContact O-CD1 3.05Å
45	V	83.6	Confident	82.1	Confident	36 Å²	36	62.4 Å²	62.4	22%	0.218	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.2	178.1	-179	0	0	0	0	112.5	C38 I180 I196	C38-V45 HydrophobicContact CB-CG2 3.94Å; V45-I180 VanDerWaalsContact O-CD1 3.27Å; V45-I180 WeakPolarHBondContact O-CD1 3.27Å; V45-I196 HydrophobicContact CG1-CD1 4.42Å; V45-I196 HydrophobicContact CG1-CG2 3.44Å; V45-I196 VanDerWaalsContact CG1-CG2 3.44Å
46	N	81.8	Confident	82.1	Confident	105 Å²	105	61.4 Å²	61.4	56%	0.561	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-40.3	-179.5	-71.3	-33.8	0	0	0	113.1	S44	S44-N46 PolarHBondContact O-N 2.78Å; S44-N46 PolarHBondContact OG-N 2.98Å
47	D	81.5	Confident	82.1	Confident	76 Å²	76	66 Å²	66	41%	0.406	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-13.6	-171.3	-47.6	-59.8	0	0	0	113.4	S44 R163 N164 G165	S44-D47 PolarHBondContact OG-N 3.02Å; S44-D47 VanDerWaalsContact OG-N 3.14Å; S44-D47 PolarHBondContact OG-OD2 3.18Å; D47-R163 CarbonylContact O-C 3.48Å; D47-N164 PolarHBondContact O-N 2.79Å; D47-G165 PolarHBondContact O-N 2.88Å
48	G	85.3	Confident	82.2	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.01	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	68.3	-141.7	-174.6	0	0	0	0	0	112.4	S44	S44-G48 PolarHBondContact N-O 2.78Å; S44-G48 VanDerWaalsContact N-O 3.16Å; S44-G48 WeakPolarHBondContact O-CA 3.43Å; S44-G48 PolarHBondContact O-N 3.35Å
49	L	87.1	Confident	82.3	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.021	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-82.7	133.6	176.1	-62.1	-178.2	0	0	0	110.8	T43 R58 R163 N164 V176 D179	T43-L49 HydrophobicContact CG2-CD2 4.23Å; T43-L49 WeakPolarHBondContact OG1-CD2 3.3Å; L49-R58 VanDerWaalsContact CD2-NH2 3.29Å; L49-R163 CarbonylContact O-C 3.47Å; L49-R163 WeakPolarHBondContact O-CA 3.35Å; L49-N164 PolarHBondContact O-N 2.73Å; L49-V176 HydrophobicContact CD1-CG2 3.68Å; L49-D179 WeakPolarHBondContact CD1-OD1 3.45Å
50	C	74.9	Confident	82.3	Confident	75 Å²	75	73.2 Å²	73.2	51%	0.507	35%	0.349	S	S	.	.			trans	-97.1	-36.5	-177.1	-58.2	0	0	0	0	113.8	N164	C50-N164 WeakPolarHBondContact CA-OD1 3.28Å; C50-N164 WeakPolarHBondContact CB-OD1 3.48Å; C50-N164 PolarHBondContact O-ND2 2.9Å; C50-N164 PolarHBondContact O-OD1 3.39Å
51	D	72	Confident	82.5	Confident	94 Å²	94	73.2 Å²	73.2	50%	0.503	36%	0.355	S	S	.	.			trans	-100	131	-169.5	-159.8	-13.2	0	0	0	112.6	D53 D54	D51-D53 PolarHBondContact OD1-N 2.84Å; D51-D54 HydrophobicContact CB-CB 4.02Å
52	K	70.6	Confident	82.7	Confident	167 Å²	167	74.2 Å²	74.2	73%	0.726	36%	0.358	S	S	*	.	H	α-helix	trans	-72.8	-31.6	178.5	-73.9	-176.4	178.9	176.8	0	111.8	D54 I55	K52-D54 VanDerWaalsContact C-N 3.26Å; K52-D54 PolarHBondContact O-N 2.98Å; K52-I55 PolarHBondContact O-N 3.49Å
53	D	67.4	Low	82.8	Confident	133 Å²	133	67.8 Å²	67.8	71%	0.711	34%	0.342	S	S	*	.	H	α-helix	trans	-71.4	-26.3	179.9	-70.5	-24.3	0	0	0	111.6	D51 I55	D51-D53 PolarHBondContact OD1-N 2.84Å; D53-I55 VanDerWaalsContact C-N 3.26Å; D53-I55 PolarHBondContact O-N 2.79Å
54	D	82.1	Confident	83	Confident	35 Å²	35	70.1 Å²	70.1	19%	0.187	36%	0.359	C	S	.	.	H	α-helix	trans	-66.3	-26.9	176.8	-166	31.7	0	0	0	112.3	D51 K52 E56 M57 R58	D51-D54 HydrophobicContact CB-CB 4.02Å; K52-D54 VanDerWaalsContact C-N 3.26Å; K52-D54 PolarHBondContact O-N 2.98Å; D54-E56 PolarHBondContact O-N 2.74Å; D54-M57 PolarHBondContact O-N 3.4Å; D54-R58 WeakPolarHBondContact O-CB 3.24Å; D54-R58 VanDerWaalsContact O-CG 3.25Å; D54-R58 WeakPolarHBondContact O-CG 3.14Å; D54-R58 PolarHBondContact O-N 3.36Å; D54-R58 IonicContact OD1-NE 2.63Å; D54-R58 IonicContact OD2-CZ 2.67Å; D54-R58 VanDerWaalsContact OD2-CZ 3.25Å; D54-R58 IonicContact OD2-NE 2.77Å; D54-R58 PolarHBondContact OD2-NE 2.88Å; D54-R58 IonicContact OD2-NH2 2.73Å; D54-R58 PolarHBondContact OD2-NH2 3.05Å
55	I	85	Confident	83.2	Confident	25 Å²	25	68.8 Å²	68.8	13%	0.128	35%	0.349	C	S	.	.	H	α-helix	trans	-64.1	-45.6	-177.9	-59.9	172.9	0	0	0	111.3	K52 D53 R58 R59 V176	K52-I55 PolarHBondContact O-N 3.49Å; D53-I55 VanDerWaalsContact C-N 3.26Å; D53-I55 PolarHBondContact O-N 2.79Å; I55-R58 PolarHBondContact O-N 3.42Å; I55-R59 WeakPolarHBondContact O-CG 3.48Å; I55-R59 PolarHBondContact O-N 3Å; I55-V176 HydrophobicContact CG2-CG1 3.9Å; I55-V176 HydrophobicContact CG2-CG2 4.4Å
56	E	84.5	Confident	83.2	Confident	91 Å²	91	71.8 Å²	71.8	43%	0.425	36%	0.357	S	S	.	.	H	α-helix	trans	-73	-34.1	-178.8	-172.6	59	-154.6	0	0	111.4	D54 R59 R60	D54-E56 PolarHBondContact O-N 2.74Å; E56-R59 PolarHBondContact O-N 2.74Å; E56-R59 IonicContact OE2-NH1 2.67Å; E56-R60 WeakPolarHBondContact O-CG 3.41Å; E56-R60 PolarHBondContact O-N 3.11Å
57	M	86	Confident	82.9	Confident	114 Å²	114	70.4 Å²	70.4	56%	0.562	35%	0.348	S	S	*	.	H	α-helix	trans	-62	-47.4	171.7	-178.4	178.1	-85.6	0	0	111	D54 R59 R60 I61	D54-M57 PolarHBondContact O-N 3.4Å; M57-R59 VanDerWaalsContact C-N 3.31Å; M57-R59 PolarHBondContact O-N 2.9Å; M57-R60 WeakPolarHBondContact O-CB 3.42Å; M57-R60 PolarHBondContact O-N 3.15Å; M57-R60 VanDerWaalsContact O-N 3.09Å; M57-I61 HydrophobicContact CG-CD1 3.76Å; M57-I61 WeakPolarHBondContact O-CG1 3.29Å; M57-I61 PolarHBondContact O-N 3.41Å; M57-I61 HydrophobicContact SD-CD1 4.41Å
58	R	88.4	Confident	82.3	Confident	10 Å²	10	70.4 Å²	70.4	4%	0.038	35%	0.352	C	S	.	.	H	α-helix	trans	-60.3	-38.4	176.8	-74.3	174.6	-175.3	-113.8	-2.1	112.7	L41 L49 D54 I55 R60 I61 Y62 V176 V177	L41-R58 PolarHBondContact O-NH1 2.96Å; L41-R58 VanDerWaalsContact O-NH1 3.14Å; L41-R58 PolarHBondContact O-NH2 3.23Å; L49-R58 VanDerWaalsContact CD2-NH2 3.29Å; D54-R58 WeakPolarHBondContact O-CB 3.24Å; D54-R58 VanDerWaalsContact O-CG 3.25Å; D54-R58 WeakPolarHBondContact O-CG 3.14Å; D54-R58 PolarHBondContact O-N 3.36Å; D54-R58 IonicContact OD1-NE 2.63Å; D54-R58 IonicContact OD2-CZ 2.67Å; D54-R58 VanDerWaalsContact OD2-CZ 3.25Å; D54-R58 IonicContact OD2-NE 2.77Å; D54-R58 PolarHBondContact OD2-NE 2.88Å; D54-R58 IonicContact OD2-NH2 2.73Å; D54-R58 PolarHBondContact OD2-NH2 3.05Å; I55-R58 PolarHBondContact O-N 3.42Å; R58-R60 VanDerWaalsContact C-N 3.28Å; R58-R60 PolarHBondContact O-N 2.91Å; R58-I61 PolarHBondContact O-N 3.24Å; R58-Y62 HydrophobicContact CB-CD2 4.16Å; R58-Y62 HydrophobicContact CG-CD2 4.29Å; R58-Y62 HydrophobicContact CG-CE2 4.32Å; R58-Y62 PolarHBondContact O-N 3.12Å; R58-V176 HydrophobicContact CB-CB 4.28Å; R58-V177 WeakPolarHBondContact CD-O 3.37Å; R58-V177 PolarHBondContact NH1-O 2.62Å
59	R	87.6	Confident	81.6	Confident	67 Å²	67	74 Å²	74	25%	0.253	38%	0.376	S	S	.	.	H	α-helix	trans	-61.1	-36.5	174.7	-75.2	173.1	-176.8	-177.9	-4.2	112.9	I55 E56 M57 G63 D174 V176	I55-R59 WeakPolarHBondContact O-CG 3.48Å; I55-R59 PolarHBondContact O-N 3Å; E56-R59 PolarHBondContact O-N 2.74Å; E56-R59 IonicContact OE2-NH1 2.67Å; M57-R59 VanDerWaalsContact C-N 3.31Å; M57-R59 PolarHBondContact O-N 2.9Å; R59-G63 CarbonylContact O-C 3.59Å; R59-G63 VanDerWaalsContact O-C 3.28Å; R59-G63 WeakPolarHBondContact O-CA 3.41Å; R59-G63 PolarHBondContact O-N 3.11Å; R59-G63 VanDerWaalsContact O-N 3.11Å; R59-D174 IonicContact CZ-OD1 3.36Å; R59-D174 IonicContact NH1-OD1 3.08Å; R59-D174 VanDerWaalsContact NH2-CA 3.32Å; R59-D174 IonicContact NH2-OD1 2.71Å; R59-D174 PolarHBondContact NH2-OD1 2.91Å; R59-V176 HydrophobicContact CG-CG1 3.68Å
60	R	86.7	Confident	80.5	Confident	200 Å²	200	79.2 Å²	79.2	76%	0.755	40%	0.398	S	S	*	.	H	α-helix	trans	-72.6	-36.6	176.9	-67.8	177.7	-174.8	-175.8	1.8	112.4	E56 M57 R58	E56-R60 WeakPolarHBondContact O-CG 3.41Å; E56-R60 PolarHBondContact O-N 3.11Å; M57-R60 WeakPolarHBondContact O-CB 3.42Å; M57-R60 PolarHBondContact O-N 3.15Å; M57-R60 VanDerWaalsContact O-N 3.09Å; R58-R60 VanDerWaalsContact C-N 3.28Å; R58-R60 PolarHBondContact O-N 2.91Å
61	I	87.6	Confident	80.2	Confident	88 Å²	88	80.9 Å²	80.9	45%	0.451	41%	0.408	S	S	.	.	H	α-helix	trans	-80.9	-53.7	-177	-63.7	171.3	0	0	0	111.5	V9 M57 R58	V9-I61 WeakPolarHBondContact CG2-O 3.46Å; M57-I61 HydrophobicContact CG-CD1 3.76Å; M57-I61 WeakPolarHBondContact O-CG1 3.29Å; M57-I61 PolarHBondContact O-N 3.41Å; M57-I61 HydrophobicContact SD-CD1 4.41Å; R58-I61 PolarHBondContact O-N 3.24Å
62	Y	89.3	Confident	80.1	Confident	23 Å²	23	80.1 Å²	80.1	9%	0.09	41%	0.408	C	S	.	.	H	α-helix	trans	-96.3	-11.1	-172.2	-60.3	-76.7	0	0	0	114.1	C7 V9 L12 R58 V177 N246	C7-Y62 PolarHBondContact O-OH 3.49Å; V9-Y62 HydrophobicContact CG2-CD1 3.88Å; L12-Y62 HydrophobicContact CD1-CD1 4Å; L12-Y62 HydrophobicContact CD1-CE1 3.69Å; R58-Y62 HydrophobicContact CB-CD2 4.16Å; R58-Y62 HydrophobicContact CG-CD2 4.29Å; R58-Y62 HydrophobicContact CG-CE2 4.32Å; R58-Y62 PolarHBondContact O-N 3.12Å; Y62-V177 HydrophobicContact CD1-CB 4.28Å; Y62-V177 HydrophobicContact CD1-CG1 4.15Å; Y62-V177 HydrophobicContact CD1-CG2 4.25Å; Y62-V177 HydrophobicContact CD2-CB 4.02Å; Y62-V177 HydrophobicContact CD2-CG1 4.38Å; Y62-V177 HydrophobicContact CE1-CG1 4.33Å; Y62-V177 HydrophobicContact CG-CB 3.85Å; Y62-V177 HydrophobicContact CG-CG1 4.19Å; Y62-V177 HydrophobicContact CG-CG2 3.91Å; Y62-N246 PolarHBondContact O-ND2 3.33Å
63	G	87.5	Confident	80.5	Confident	26 Å²	26	76.8 Å²	76.8	27%	0.268	39%	0.394	S	S	.	.			trans	95.1	173.9	-174.4	0	0	0	0	0	113.4	R59	R59-G63 CarbonylContact O-C 3.59Å; R59-G63 VanDerWaalsContact O-C 3.28Å; R59-G63 WeakPolarHBondContact O-CA 3.41Å; R59-G63 PolarHBondContact O-N 3.11Å; R59-G63 VanDerWaalsContact O-N 3.11Å
64	S	88.1	Confident	81.5	Confident	59 Å²	59	73.6 Å²	73.6	41%	0.413	38%	0.382	S	S	.	.			trans	-99.1	150.9	176.3	59.5	0	0	0	0	111.2	Y66	S64-Y66 PolarHBondContact O-N 2.92Å
65	N	89.5	Confident	81.7	Confident	16 Å²	16	75.2 Å²	75.2	9%	0.086	39%	0.387	C	S	.	.	S	Bend	trans	-77.8	53.2	173.6	-161.3	29.2	0	0	0	112.1	V172 R173 I175 P190 V243 G244	N65-V172 PolarHBondContact ND2-O 3.47Å; N65-R173 WeakPolarHBondContact O-CA 3.5Å; N65-I175 WeakPolarHBondContact CB-O 3.39Å; N65-P190 PolarHBondContact ND2-O 3.41Å; N65-V243 HydrophobicContact CB-CB 3.89Å; N65-V243 HydrophobicContact CB-CG1 4.23Å; N65-G244 PolarHBondContact OD1-N 2.94Å
66	Y	83.9	Confident	81.9	Confident	99 Å²	99	82 Å²	82	39%	0.388	42%	0.416	S	S	.	.			trans	-134.1	120	-178.5	-178.3	-110.8	0	0	0	110	S64 P68 P69	S64-Y66 PolarHBondContact O-N 2.92Å; Y66-P68 HydrophobicContact CE1-CB 4.27Å; Y66-P68 WeakPolarHBondContact O-CD 3.35Å; Y66-P69 WeakPolarHBondContact OH-CD 3.12Å
67	I	76.6	Confident	82.1	Confident	76 Å²	76	83.1 Å²	83.1	39%	0.39	42%	0.417	S	S	.	.			trans	-92.6	112.7	172.9	-59	174.4	0	0	0	107.1	L245 M253	I67-L245 HydrophobicContact CG2-CD2 4.31Å; I67-M253 HydrophobicContact CG2-CG 4.24Å
68	P	69.2	Low	81.8	Confident	75 Å²	75	78.6 Å²	78.6	49%	0.487	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-65.6	129.6	-174.3	25.2	-33	0	0	0	110.9	Y66 L245	Y66-P68 HydrophobicContact CE1-CB 4.27Å; Y66-P68 WeakPolarHBondContact O-CD 3.35Å; P68-L245 HydrophobicContact CG-CD1 4.43Å
69	P	68.7	Low	81.7	Confident	77 Å²	77	78.8 Å²	78.8	50%	0.5	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-71.3	165	173	30.9	-35	0	0	0	110.5	Y66	Y66-P69 WeakPolarHBondContact OH-CD 3.12Å
70	K	64.5	Low	81.8	Confident	113 Å²	113	82.3 Å²	82.3	49%	0.491	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-57.6	138.4	176	-71.1	-174.1	178.6	-178.6	0	111.6	R147	K70-R147 PolarHBondContact O-NH2 3.13Å
71	P	68.5	Low	81.5	Confident	110 Å²	110	75.7 Å²	75.7	71%	0.714	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-59.2	150	-179.4	24.3	-33.7	0	0	0	111.6
72	P	71.2	Confident	81	Confident	79 Å²	79	72 Å²	72	51%	0.513	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-57.7	138.9	174.3	16.9	-19.9	0	0	0	111.5	S74 R147	P72-S74 PolarHBondContact O-N 2.77Å; P72-R147 VanDerWaalsContact CB-NH1 3.32Å; P72-R147 VanDerWaalsContact N-NH2 3.16Å
73	K	78.5	Confident	80.6	Confident	96 Å²	96	74.7 Å²	74.7	42%	0.417	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-65.2	132.8	162.1	-68.6	-172.7	-179.2	-169.9	0	107.7	R77 E81	K73-R77 HydrophobicContact CB-CB 4.32Å; K73-R77 HydrophobicContact CB-CG 4.3Å; K73-R77 HydrophobicContact CD-CG 4.23Å; K73-R77 HydrophobicContact CG-CG 4.35Å; K73-E81 IonicContact NZ-OE1 3.76Å; K73-E81 PolarHBondContact NZ-OE1 2.94Å; K73-E81 IonicContact NZ-OE2 2.67Å; K73-E81 PolarHBondContact NZ-OE2 2.85Å
74	S	87.5	Confident	80.3	Confident	67 Å²	67	76 Å²	76	47%	0.469	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-67.4	157.6	174.1	65.4	0	0	0	0	110.6	P72 F76 R77 H78	P72-S74 PolarHBondContact O-N 2.77Å; S74-F76 PolarHBondContact O-N 2.56Å; S74-R77 WeakPolarHBondContact O-CB 3.06Å; S74-R77 PolarHBondContact O-N 3.39Å; S74-R77 PolarHBondContact OG-N 2.79Å; S74-H78 PolarHBondContact O-CD2 2.57Å; S74-H78 PolarHBondContact O-N 2.58Å; S74-H78 VanDerWaalsContact O-N 3.16Å
75	F	87.6	Confident	79.5	Confident	68 Å²	68	76.2 Å²	76.2	30%	0.298	38%	0.382	S	S	.	.	H	α-helix	trans	-53.3	-42.4	173.2	176.6	-92.8	0	0	0	112.1	R77 H78 A79 L133 A136 Y140	F75-R77 VanDerWaalsContact C-N 3.28Å; F75-R77 PolarHBondContact O-N 3.26Å; F75-H78 WeakPolarHBondContact O-CB 3.35Å; F75-H78 PolarHBondContact O-N 2.65Å; F75-H78 VanDerWaalsContact O-N 3.1Å; F75-A79 PolarHBondContact O-N 3.23Å; F75-L133 HydrophobicContact CE1-CD2 4.05Å; F75-L133 HydrophobicContact CZ-CD2 4.05Å; F75-A136 HydrophobicContact CE2-CB 3.9Å; F75-A136 HydrophobicContact CZ-CB 3.93Å; F75-Y140 HydrophobicContact CB-CD2 4.43Å; F75-Y140 HydrophobicContact CD2-CD1 4.48Å; F75-Y140 HydrophobicContact CD2-CG 4.22Å
76	F	89	Confident	78.6	Confident	168 Å²	168	79.9 Å²	79.9	74%	0.737	40%	0.401	S	S	*	.	H	α-helix	trans	-61.7	-34.9	176.2	-68.6	-72.2	0	0	0	113	S74 H78 A79 W80	S74-F76 PolarHBondContact O-N 2.56Å; F76-H78 VanDerWaalsContact C-N 3.34Å; F76-A79 PolarHBondContact O-N 3.02Å; F76-W80 WeakPolarHBondContact O-CB 3.13Å; F76-W80 PolarHBondContact O-N 2.97Å
77	R	87.9	Confident	77.8	Confident	115 Å²	115	76.3 Å²	76.3	43%	0.434	39%	0.389	S	S	.	.	H	α-helix	trans	-66	-39.2	174.9	-175.4	60.7	-176.6	-156.4	-1.8	111.5	K73 S74 F75 W80 E81	K73-R77 HydrophobicContact CB-CB 4.32Å; K73-R77 HydrophobicContact CB-CG 4.3Å; K73-R77 HydrophobicContact CD-CG 4.23Å; K73-R77 HydrophobicContact CG-CG 4.35Å; S74-R77 WeakPolarHBondContact O-CB 3.06Å; S74-R77 PolarHBondContact O-N 3.39Å; S74-R77 PolarHBondContact OG-N 2.79Å; F75-R77 VanDerWaalsContact C-N 3.28Å; F75-R77 PolarHBondContact O-N 3.26Å; R77-W80 PolarHBondContact O-N 3.07Å; R77-E81 IonicContact CZ-OE1 3.24Å; R77-E81 IonicContact NE-OE1 3.91Å; R77-E81 PolarHBondContact NE-OE1 3.24Å; R77-E81 IonicContact NH2-OE1 3.99Å; R77-E81 WeakPolarHBondContact O-CB 3.42Å; R77-E81 WeakPolarHBondContact O-CG 3.34Å; R77-E81 PolarHBondContact O-N 3.03Å
78	H	80.8	Confident	77.7	Confident	18 Å²	18	73.1 Å²	73.1	8%	0.083	37%	0.373	C	S	.	.	H	α-helix	trans	-65.1	-41.7	173.4	-73.1	-62.7	0	0	0	112.7	S74 F75 F76 W80 E81 A82 A136	S74-H78 PolarHBondContact O-CD2 2.57Å; S74-H78 PolarHBondContact O-N 2.58Å; S74-H78 VanDerWaalsContact O-N 3.16Å; F75-H78 WeakPolarHBondContact O-CB 3.35Å; F75-H78 PolarHBondContact O-N 2.65Å; F75-H78 VanDerWaalsContact O-N 3.1Å; F76-H78 VanDerWaalsContact C-N 3.34Å; H78-W80 VanDerWaalsContact C-N 3.34Å; H78-W80 PolarHBondContact O-N 3.16Å; H78-E81 PolarHBondContact O-N 2.85Å; H78-A82 WeakPolarHBondContact O-CB 3.49Å; H78-A82 PolarHBondContact O-N 3.28Å; H78-A136 HydrophobicContact CB-CB 4.3Å
79	A	85.4	Confident	78.3	Confident	14 Å²	14	74 Å²	74	12%	0.116	37%	0.373	C	S	.	.	H	α-helix	trans	-61.5	-43.3	175	0	0	0	0	0	111.6	F75 F76 E81 A82 M83 V132 A136	F75-A79 PolarHBondContact O-N 3.23Å; F76-A79 PolarHBondContact O-N 3.02Å; A79-E81 PolarHBondContact O-N 2.76Å; A79-A82 PolarHBondContact O-N 2.92Å; A79-M83 WeakPolarHBondContact O-CG 3.12Å; A79-M83 PolarHBondContact O-N 2.83Å; A79-V132 HydrophobicContact CB-CG1 4.14Å; A79-A136 HydrophobicContact CB-CB 3.89Å
80	W	89.3	Confident	78.5	Confident	142 Å²	142	73.2 Å²	73.2	54%	0.538	36%	0.364	S	S	.	.	H	α-helix	trans	-63.5	-40	176	-175.8	-99.4	0	0	0	112.9	F76 R77 H78 Q84	F76-W80 WeakPolarHBondContact O-CB 3.13Å; F76-W80 PolarHBondContact O-N 2.97Å; R77-W80 PolarHBondContact O-N 3.07Å; H78-W80 VanDerWaalsContact C-N 3.34Å; H78-W80 PolarHBondContact O-N 3.16Å; W80-Q84 WeakPolarHBondContact O-CG 3.4Å
81	E	80.9	Confident	78.9	Confident	60 Å²	60	68.5 Å²	68.5	28%	0.28	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-36.8	175.1	-74.4	171.9	-172.7	0	0	111.8	K73 R77 H78 A79 Q84	K73-E81 IonicContact NZ-OE1 3.76Å; K73-E81 PolarHBondContact NZ-OE1 2.94Å; K73-E81 IonicContact NZ-OE2 2.67Å; K73-E81 PolarHBondContact NZ-OE2 2.85Å; R77-E81 IonicContact CZ-OE1 3.24Å; R77-E81 IonicContact NE-OE1 3.91Å; R77-E81 PolarHBondContact NE-OE1 3.24Å; R77-E81 IonicContact NH2-OE1 3.99Å; R77-E81 WeakPolarHBondContact O-CB 3.42Å; R77-E81 WeakPolarHBondContact O-CG 3.34Å; R77-E81 PolarHBondContact O-N 3.03Å; H78-E81 PolarHBondContact O-N 2.85Å; A79-E81 PolarHBondContact O-N 2.76Å; E81-Q84 WeakPolarHBondContact O-CB 3.17Å; E81-Q84 PolarHBondContact O-N 2.82Å
82	A	76.2	Confident	79.6	Confident	12 Å²	12	65.1 Å²	65.1	10%	0.099	32%	0.32	C	S	.	.	H	α-helix	trans	-67.4	-39	175.5	0	0	0	0	0	112.5	H78 A79 Q84 D85 L88 V132 T135	H78-A82 WeakPolarHBondContact O-CB 3.49Å; H78-A82 PolarHBondContact O-N 3.28Å; A79-A82 PolarHBondContact O-N 2.92Å; A82-Q84 PolarHBondContact O-N 2.78Å; A82-Q84 VanDerWaalsContact O-N 3.14Å; A82-D85 PolarHBondContact O-N 2.99Å; A82-L88 VanDerWaalsContact O-CD1 3.26Å; A82-L88 WeakPolarHBondContact O-CD1 3.17Å; A82-V132 HydrophobicContact CB-CG1 4.37Å; A82-T135 HydrophobicContact CB-CG2 4.2Å
83	M	81.8	Confident	80.1	Confident	79 Å²	79	63.5 Å²	63.5	39%	0.389	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.2	175.5	-73.7	-177.4	68.2	0	0	114.1	A79 D85 I92 V132	A79-M83 WeakPolarHBondContact O-CG 3.12Å; A79-M83 PolarHBondContact O-N 2.83Å; M83-D85 VanDerWaalsContact C-N 3.3Å; M83-I92 HydrophobicContact CE-CD1 4.29Å; M83-V132 HydrophobicContact CG-CB 4.48Å; M83-V132 HydrophobicContact CG-CG1 3.78Å; M83-V132 HydrophobicContact CG-CG2 3.88Å
84	Q	81.5	Confident	79.8	Confident	54 Å²	54	59.4 Å²	59.4	25%	0.252	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	0.7	-176.4	-79.7	-178.1	-3.8	0	0	114.2	W80 E81 A82 R1076	W80-Q84 WeakPolarHBondContact O-CG 3.4Å; E81-Q84 WeakPolarHBondContact O-CB 3.17Å; E81-Q84 PolarHBondContact O-N 2.82Å; A82-Q84 PolarHBondContact O-N 2.78Å; A82-Q84 VanDerWaalsContact O-N 3.14Å; Q84-R1076 VanDerWaalsContact CB-NH2 3.27Å; Q84-R1076 VanDerWaalsContact CG-NH2 3.29Å; Q84-R1076 PolarHBondContact O-NH1 2.82Å; Q84-R1076 VanDerWaalsContact OE1-CZ 3.24Å
85	D	71.3	Confident	79.3	Confident	63 Å²	63	56.4 Å²	56.4	34%	0.337	28%	0.276	S	S	.	.			trans	-65.3	140.1	172.7	-161	-11.1	0	0	0	110.8	A82 M83 T87 L88 L89	A82-D85 PolarHBondContact O-N 2.99Å; M83-D85 VanDerWaalsContact C-N 3.3Å; D85-T87 VanDerWaalsContact C-N 3.33Å; D85-T87 PolarHBondContact O-N 3.24Å; D85-L88 HydrophobicContact CB-CB 4.32Å; D85-L88 HydrophobicContact CB-CD1 4.08Å; D85-L88 HydrophobicContact CB-CG 4.45Å; D85-L88 PolarHBondContact O-N 3.36Å; D85-L89 VanDerWaalsContact O-CB 3.25Å; D85-L89 WeakPolarHBondContact O-CB 3.37Å; D85-L89 PolarHBondContact O-N 3.14Å
86	L	70.1	Confident	79.1	Confident	92 Å²	92	57.4 Å²	57.4	48%	0.482	29%	0.288	S	S	.	.	H	α-helix	trans	-65.2	-38.2	-175.7	-177.4	65.4	0	0	0	111.4	L89 I90 I1069	L86-L89 PolarHBondContact O-N 2.9Å; L86-I90 HydrophobicContact CD1-CD1 4.25Å; L86-I90 HydrophobicContact CD1-CG1 4.43Å; L86-I90 HydrophobicContact CG-CD1 3.96Å; L86-I90 WeakPolarHBondContact O-CB 3.29Å; L86-I90 WeakPolarHBondContact O-CD1 3.39Å; L86-I90 WeakPolarHBondContact O-CG1 3.28Å; L86-I90 PolarHBondContact O-N 2.92Å; L86-I1069 HydrophobicContact CD2-CD1 4.33Å
87	T	68	Low	78.6	Confident	24 Å²	24	53.7 Å²	53.7	15%	0.147	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-50.2	178.3	52.9	0	0	0	0	110.9	D85 L89 I90 L91 E376	D85-T87 VanDerWaalsContact C-N 3.33Å; D85-T87 PolarHBondContact O-N 3.24Å; T87-L89 VanDerWaalsContact C-N 3.35Å; T87-L89 PolarHBondContact O-N 2.78Å; T87-I90 PolarHBondContact O-N 3.38Å; T87-L91 PolarHBondContact O-N 2.94Å; T87-E376 WeakPolarHBondContact CB-OE1 3.46Å; T87-E376 PolarHBondContact OG1-OE1 3.27Å
88	L	74.4	Confident	77.9	Confident	9 Å²	9	48.8 Å²	48.8	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-39.2	176.3	-72.5	166.8	0	0	0	111.9	A82 D85 I90 L91 I92 I128 V131 V132	A82-L88 VanDerWaalsContact O-CD1 3.26Å; A82-L88 WeakPolarHBondContact O-CD1 3.17Å; D85-L88 HydrophobicContact CB-CB 4.32Å; D85-L88 HydrophobicContact CB-CD1 4.08Å; D85-L88 HydrophobicContact CB-CG 4.45Å; D85-L88 PolarHBondContact O-N 3.36Å; L88-I90 PolarHBondContact O-N 2.85Å; L88-L91 WeakPolarHBondContact O-CB 3.32Å; L88-L91 PolarHBondContact O-N 3.3Å; L88-I92 VanDerWaalsContact O-CG1 3.25Å; L88-I92 WeakPolarHBondContact O-CG1 3.44Å; L88-I92 PolarHBondContact O-N 3.27Å; L88-I128 HydrophobicContact CD2-CG2 4.23Å; L88-V131 HydrophobicContact CD2-CG1 4.33Å; L88-V132 HydrophobicContact CD1-CG2 4.27Å
89	L	80.9	Confident	77.8	Confident	95 Å²	95	50.8 Å²	50.8	50%	0.497	27%	0.269	S	S	.	.	H	α-helix	trans	-66.1	-38.5	177.8	-167	145.8	0	0	0	112.1	D85 L86 T87 I92 A93	D85-L89 VanDerWaalsContact O-CB 3.25Å; D85-L89 WeakPolarHBondContact O-CB 3.37Å; D85-L89 PolarHBondContact O-N 3.14Å; L86-L89 PolarHBondContact O-N 2.9Å; T87-L89 VanDerWaalsContact C-N 3.35Å; T87-L89 PolarHBondContact O-N 2.78Å; L89-I92 PolarHBondContact O-N 3.41Å; L89-A93 WeakPolarHBondContact O-CB 3.41Å; L89-A93 PolarHBondContact O-N 2.94Å
90	I	73.5	Confident	77.5	Confident	60 Å²	60	52.2 Å²	52.2	31%	0.308	29%	0.286	S	S	.	.	H	α-helix	trans	-64.2	-41.8	172.9	-69.6	165.9	0	0	0	110.5	L86 T87 L88 A93 A94 I367	L86-I90 HydrophobicContact CD1-CD1 4.25Å; L86-I90 HydrophobicContact CD1-CG1 4.43Å; L86-I90 HydrophobicContact CG-CD1 3.96Å; L86-I90 WeakPolarHBondContact O-CB 3.29Å; L86-I90 WeakPolarHBondContact O-CD1 3.39Å; L86-I90 WeakPolarHBondContact O-CG1 3.28Å; L86-I90 PolarHBondContact O-N 2.92Å; T87-I90 PolarHBondContact O-N 3.38Å; L88-I90 PolarHBondContact O-N 2.85Å; I90-A93 PolarHBondContact O-N 2.87Å; I90-A94 WeakPolarHBondContact O-CB 3.33Å; I90-A94 PolarHBondContact O-N 3.08Å; I90-I367 HydrophobicContact CG2-CD1 3.69Å; I90-I367 HydrophobicContact CG2-CG1 3.96Å; I90-I367 HydrophobicContact CG2-CG2 3.78Å
91	L	72.5	Confident	76.6	Confident	13 Å²	13	47.9 Å²	47.9	7%	0.068	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-40.6	175.5	-77.7	169.3	0	0	0	112.7	T87 L88 A93 A94 A95 I128 I367 V371 L842	T87-L91 PolarHBondContact O-N 2.94Å; L88-L91 WeakPolarHBondContact O-CB 3.32Å; L88-L91 PolarHBondContact O-N 3.3Å; L91-A93 VanDerWaalsContact C-N 3.33Å; L91-A94 PolarHBondContact O-N 3.45Å; L91-A95 WeakPolarHBondContact O-CB 3.44Å; L91-A95 PolarHBondContact O-N 3.46Å; L91-I128 HydrophobicContact CB-CD1 3.81Å; L91-I128 HydrophobicContact CB-CG1 4.38Å; L91-I367 HydrophobicContact CD2-CG2 3.95Å; L91-I367 HydrophobicContact CG-CG2 4.38Å; L91-V371 HydrophobicContact CD1-CG1 4.18Å; L91-V371 HydrophobicContact CD1-CG2 3.76Å; L91-V371 HydrophobicContact CD2-CG2 4.17Å; L91-V371 HydrophobicContact CG-CG2 3.96Å; L91-L842 HydrophobicContact CD1-CD2 4.5Å
92	I	82.2	Confident	76.1	Confident	39 Å²	39	46.1 Å²	46.1	20%	0.2	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-45.5	174.5	-69.7	165.7	0	0	0	109.6	M83 L88 L89 A94 A95 V96 I128	M83-I92 HydrophobicContact CE-CD1 4.29Å; L88-I92 VanDerWaalsContact O-CG1 3.25Å; L88-I92 WeakPolarHBondContact O-CG1 3.44Å; L88-I92 PolarHBondContact O-N 3.27Å; L89-I92 PolarHBondContact O-N 3.41Å; I92-A94 VanDerWaalsContact C-N 3.35Å; I92-A94 PolarHBondContact O-N 2.99Å; I92-A95 PolarHBondContact O-N 2.85Å; I92-V96 HydrophobicContact CG2-CG2 4.48Å; I92-V96 VanDerWaalsContact O-CG2 3.28Å; I92-V96 WeakPolarHBondContact O-CG2 3.29Å; I92-V96 PolarHBondContact O-N 3.3Å; I92-I128 HydrophobicContact CD1-CG2 4.32Å; I92-I128 HydrophobicContact CG1-CD1 3.95Å; I92-I128 HydrophobicContact CG1-CG2 4.02Å
93	A	81.7	Confident	76	Confident	46 Å²	46	52.7 Å²	52.7	38%	0.38	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-43.5	176.6	0	0	0	0	0	111.6	L89 I90 L91 V96 I97	L89-A93 WeakPolarHBondContact O-CB 3.41Å; L89-A93 PolarHBondContact O-N 2.94Å; I90-A93 PolarHBondContact O-N 2.87Å; L91-A93 VanDerWaalsContact C-N 3.33Å; A93-V96 PolarHBondContact O-N 3.35Å; A93-I97 VanDerWaalsContact O-CG1 3.24Å; A93-I97 WeakPolarHBondContact O-CG1 3.38Å; A93-I97 PolarHBondContact O-N 3.31Å
94	A	73.6	Confident	75.4	Confident	10 Å²	10	55.6 Å²	55.6	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-41.8	176	0	0	0	0	0	112.3	I90 L91 I92 I97 S98 I364 I367	I90-A94 WeakPolarHBondContact O-CB 3.33Å; I90-A94 PolarHBondContact O-N 3.08Å; L91-A94 PolarHBondContact O-N 3.45Å; I92-A94 VanDerWaalsContact C-N 3.35Å; I92-A94 PolarHBondContact O-N 2.99Å; A94-I97 PolarHBondContact O-N 2.8Å; A94-S98 WeakPolarHBondContact O-CB 3.37Å; A94-S98 PolarHBondContact O-N 3.23Å; A94-I364 HydrophobicContact CB-CG1 4.4Å; A94-I367 HydrophobicContact CB-CD1 4.33Å
95	A	76.9	Confident	74.3	Confident	3 Å²	3	58 Å²	58	3%	0.025	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-42.8	175.9	0	0	0	0	0	111.7	L91 I92 S98 L99 I124	L91-A95 WeakPolarHBondContact O-CB 3.44Å; L91-A95 PolarHBondContact O-N 3.46Å; I92-A95 PolarHBondContact O-N 2.85Å; A95-S98 PolarHBondContact O-N 3.46Å; A95-L99 VanDerWaalsContact O-CB 3.26Å; A95-L99 WeakPolarHBondContact O-CB 3.13Å; A95-L99 PolarHBondContact O-N 2.9Å; A95-I124 HydrophobicContact CB-CB 4.17Å; A95-I124 HydrophobicContact CB-CG2 3.74Å
96	V	83.8	Confident	73.6	Confident	90 Å²	90	55.8 Å²	55.8	55%	0.545	31%	0.31	S	S	.	.	H	α-helix	trans	-64.3	-43.2	176.1	171.2	0	0	0	0	111.2	I92 A93 G100	I92-V96 HydrophobicContact CG2-CG2 4.48Å; I92-V96 VanDerWaalsContact O-CG2 3.28Å; I92-V96 WeakPolarHBondContact O-CG2 3.29Å; I92-V96 PolarHBondContact O-N 3.3Å; A93-V96 PolarHBondContact O-N 3.35Å; V96-G100 PolarHBondContact O-N 2.71Å
97	I	78.6	Confident	72.7	Confident	89 Å²	89	56.3 Å²	56.3	46%	0.456	33%	0.327	S	S	.	.	H	α-helix	trans	-64.8	-46.3	176.9	-67.2	164.7	0	0	0	110.3	A93 A94 L99 G100 L101 V360	A93-I97 VanDerWaalsContact O-CG1 3.24Å; A93-I97 WeakPolarHBondContact O-CG1 3.38Å; A93-I97 PolarHBondContact O-N 3.31Å; A94-I97 PolarHBondContact O-N 2.8Å; I97-L99 PolarHBondContact O-N 3.35Å; I97-G100 PolarHBondContact O-N 3.27Å; I97-L101 HydrophobicContact CG2-CD1 3.91Å; I97-L101 HydrophobicContact CG2-CG 4.39Å; I97-L101 VanDerWaalsContact O-CG 3.31Å; I97-L101 WeakPolarHBondContact O-CG 3.47Å; I97-L101 PolarHBondContact O-N 3.35Å; I97-V360 HydrophobicContact CG2-CG1 3.86Å
98	S	72.1	Confident	72	Confident	13 Å²	13	62 Å²	62	9%	0.091	36%	0.357	C	S	.	.	H	α-helix	trans	-58.6	-49.2	178.1	-169.3	0	0	0	0	111	A94 A95 G100 L101 S102	A94-S98 WeakPolarHBondContact O-CB 3.37Å; A94-S98 PolarHBondContact O-N 3.23Å; A95-S98 PolarHBondContact O-N 3.46Å; S98-G100 VanDerWaalsContact C-N 3.34Å; S98-G100 PolarHBondContact O-N 3.04Å; S98-L101 PolarHBondContact O-N 2.76Å; S98-S102 PolarHBondContact O-N 3.48Å; S98-S102 PolarHBondContact O-OG 3.46Å
99	L	79.3	Confident	71.1	Confident	59 Å²	59	64.4 Å²	64.4	31%	0.309	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-40.9	178.1	-172.6	70.2	0	0	0	111.7	A95 I97 L101 S102 F103 W118	A95-L99 VanDerWaalsContact O-CB 3.26Å; A95-L99 WeakPolarHBondContact O-CB 3.13Å; A95-L99 PolarHBondContact O-N 2.9Å; I97-L99 PolarHBondContact O-N 3.35Å; L99-L101 VanDerWaalsContact C-N 3.35Å; L99-L101 PolarHBondContact O-N 3.06Å; L99-S102 PolarHBondContact O-N 3.41Å; L99-F103 HydrophobicContact CD1-CE2 4.07Å; L99-F103 HydrophobicContact CD1-CZ 4.45Å; L99-F103 HydrophobicContact CD2-CE2 4.4Å; L99-F103 HydrophobicContact CG-CD2 4.46Å; L99-F103 HydrophobicContact CG-CE2 3.82Å; L99-F103 WeakPolarHBondContact O-CD2 3.49Å; L99-F103 PolarHBondContact O-N 2.94Å; L99-W118 HydrophobicContact CD1-CB 4.34Å
100	G	78.7	Confident	69.8	Low	45 Å²	45	63.3 Å²	63.3	46%	0.464	37%	0.367	S	S	.	.	H	α-helix	trans	-63.6	-38.1	176.9	0	0	0	0	0	113.1	V96 I97 S98 F103	V96-G100 PolarHBondContact O-N 2.71Å; I97-G100 PolarHBondContact O-N 3.27Å; S98-G100 VanDerWaalsContact C-N 3.34Å; S98-G100 PolarHBondContact O-N 3.04Å; G100-F103 PolarHBondContact O-N 2.93Å
101	L	70.7	Confident	69	Low	50 Å²	50	68.6 Å²	68.6	26%	0.262	39%	0.39	S	S	.	.	H	α-helix	trans	-71.8	-33.1	176	-69.7	171.4	0	0	0	112.4	I97 S98 L99 F103 Y104 V360	I97-L101 HydrophobicContact CG2-CD1 3.91Å; I97-L101 HydrophobicContact CG2-CG 4.39Å; I97-L101 VanDerWaalsContact O-CG 3.31Å; I97-L101 WeakPolarHBondContact O-CG 3.47Å; I97-L101 PolarHBondContact O-N 3.35Å; S98-L101 PolarHBondContact O-N 2.76Å; L99-L101 VanDerWaalsContact C-N 3.35Å; L99-L101 PolarHBondContact O-N 3.06Å; L101-F103 PolarHBondContact O-N 2.97Å; L101-Y104 WeakPolarHBondContact O-CB 3.48Å; L101-Y104 PolarHBondContact O-N 3.39Å; L101-Y104 VanDerWaalsContact O-N 3.09Å; L101-V360 HydrophobicContact CD1-CB 3.9Å; L101-V360 HydrophobicContact CD1-CG1 3.71Å; L101-V360 HydrophobicContact CD1-CG2 3.91Å
102	S	70.2	Confident	68.2	Low	23 Å²	23	72.5 Å²	72.5	16%	0.161	41%	0.414	C	S	.	.	H	α-helix	trans	-63.5	-27	175.7	-54.5	0	0	0	0	113.2	S98 L99 Y104 E117	S98-S102 PolarHBondContact O-N 3.48Å; S98-S102 PolarHBondContact O-OG 3.46Å; L99-S102 PolarHBondContact O-N 3.41Å; S102-Y104 VanDerWaalsContact C-N 3.3Å; S102-E117 PolarHBondContact OG-O 3.23Å
103	F	73.6	Confident	67	Low	150 Å²	150	72.2 Å²	72.2	66%	0.658	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.8	175.7	-70.9	-60.3	0	0	0	113.8	L99 G100 L101 P105	L99-F103 HydrophobicContact CD1-CE2 4.07Å; L99-F103 HydrophobicContact CD1-CZ 4.45Å; L99-F103 HydrophobicContact CD2-CE2 4.4Å; L99-F103 HydrophobicContact CG-CD2 4.46Å; L99-F103 HydrophobicContact CG-CE2 3.82Å; L99-F103 WeakPolarHBondContact O-CD2 3.49Å; L99-F103 PolarHBondContact O-N 2.94Å; G100-F103 PolarHBondContact O-N 2.93Å; L101-F103 PolarHBondContact O-N 2.97Å; F103-P105 WeakPolarHBondContact O-CD 3.32Å
104	Y	69.3	Low	65.8	Low	141 Å²	141	73.9 Å²	73.9	55%	0.553	41%	0.413	S	S	*	.	S	Bend	trans	-82.2	116.3	176.5	-164.6	-95.1	0	0	0	110	L101 S102 N106 V353	L101-Y104 WeakPolarHBondContact O-CB 3.48Å; L101-Y104 PolarHBondContact O-N 3.39Å; L101-Y104 VanDerWaalsContact O-N 3.09Å; S102-Y104 VanDerWaalsContact C-N 3.3Å; Y104-N106 PolarHBondContact O-N 2.87Å; Y104-V353 HydrophobicContact CE1-CG1 4.31Å
105	P	57.8	Low	65.1	Low	104 Å²	104	76.7 Å²	76.7	68%	0.675	43%	0.432	S	S	*	.			trans	-67.9	110.3	-173.5	24.8	-31.8	0	0	0	111.1	F103	F103-P105 WeakPolarHBondContact O-CD 3.32Å
106	N	57.3	Low	64.5	Low	17 Å²	17	77.2 Å²	77.2	9%	0.091	44%	0.437	C	S	.	.			trans	-91.4	105.3	172.7	-85.3	-21.6	0	0	0	110.2	Y104 N108 K109 Q114 N354	Y104-N106 PolarHBondContact O-N 2.87Å; N106-N108 PolarHBondContact O-N 3.18Å; N106-K109 HydrophobicContact CB-CD 4.33Å; N106-K109 HydrophobicContact CB-CG 4.33Å; N106-K109 PolarHBondContact O-N 2.93Å; N106-Q114 PolarHBondContact O-NE2 3.18Å; N106-N354 PolarHBondContact OD1-OD1 2.67Å
107	A	51.6	Low	63.6	Low	102 Å²	102	74.3 Å²	74.3	84%	0.843	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-9.9	-177.2	0	0	0	0	0	115.7
108	N	53.3	Low	63.5	Low	145 Å²	145	76.4 Å²	76.4	78%	0.775	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	5	-176.2	-74	-6.3	0	0	0	114.7	N106	N106-N108 PolarHBondContact O-N 3.18Å
109	K	54.5	Low	63.6	Low	58 Å²	58	77.6 Å²	77.6	25%	0.252	42%	0.424	S	S	.	.	S	Bend	trans	-106.9	140.4	-179.5	-67.9	-172.9	-174.2	177.6	0	111.2	N106 D113 Q114 E117	N106-K109 HydrophobicContact CB-CD 4.33Å; N106-K109 HydrophobicContact CB-CG 4.33Å; N106-K109 PolarHBondContact O-N 2.93Å; K109-D113 HydrophobicContact CB-CB 4.42Å; K109-Q114 HydrophobicContact CB-CG 3.94Å; K109-E117 WeakPolarHBondContact CD-OE1 3.31Å; K109-E117 WeakPolarHBondContact CE-OE1 3.27Å; K109-E117 IonicContact NZ-OE1 2.69Å; K109-E117 PolarHBondContact NZ-OE1 3.04Å; K109-E117 IonicContact NZ-OE2 2.7Å; K109-E117 PolarHBondContact NZ-OE2 3.3Å
110	S	54.6	Low	63.1	Low	72 Å²	72	77.7 Å²	77.7	50%	0.503	42%	0.423	S	S	.	.			trans	-56.4	146.6	176.2	-22.5	0	0	0	0	110.9	V112 D113 Q114	S110-V112 PolarHBondContact O-N 3.44Å; S110-V112 VanDerWaalsContact O-N 3.12Å; S110-D113 VanDerWaalsContact CB-OD2 3.27Å; S110-D113 WeakPolarHBondContact CB-OD2 3.35Å; S110-D113 PolarHBondContact O-N 3.44Å; S110-D113 PolarHBondContact OG-OD2 3.38Å; S110-Q114 PolarHBondContact O-N 3.09Å
111	E	56.3	Low	62.8	Low	171 Å²	171	75.6 Å²	75.6	80%	0.799	40%	0.402	S	S	*	.	H	α-helix	trans	-53.1	-36.2	177.6	-75	-174.8	155.8	0	0	112.5	S115	E111-S115 WeakPolarHBondContact O-CB 3.47Å; E111-S115 PolarHBondContact O-N 3.39Å
112	V	56.4	Low	63.3	Low	95 Å²	95	74.6 Å²	74.6	58%	0.576	40%	0.401	S	S	*	.	H	α-helix	trans	-65	-43.8	176.9	-175.1	0	0	0	0	111.4	S110 S115 A116	S110-V112 PolarHBondContact O-N 3.44Å; S110-V112 VanDerWaalsContact O-N 3.12Å; V112-S115 PolarHBondContact O-N 3.49Å; V112-S115 PolarHBondContact O-OG 3.29Å; V112-A116 PolarHBondContact O-N 3.25Å
113	D	56.7	Low	63.6	Low	33 Å²	33	74.4 Å²	74.4	18%	0.176	40%	0.401	C	S	.	.	H	α-helix	trans	-67.7	-41.2	179	-67.3	-55.6	0	0	0	111.5	K109 S110 S115 A116 E117 T918	K109-D113 HydrophobicContact CB-CB 4.42Å; S110-D113 VanDerWaalsContact CB-OD2 3.27Å; S110-D113 WeakPolarHBondContact CB-OD2 3.35Å; S110-D113 PolarHBondContact O-N 3.44Å; S110-D113 PolarHBondContact OG-OD2 3.38Å; D113-S115 VanDerWaalsContact C-N 3.29Å; D113-S115 PolarHBondContact O-N 2.89Å; D113-A116 PolarHBondContact O-N 3.15Å; D113-E117 WeakPolarHBondContact O-CG 3.24Å; D113-E117 PolarHBondContact O-N 3.15Å; D113-T918 WeakPolarHBondContact OD1-CB 3.02Å; D113-T918 PolarHBondContact OD1-OG1 3.38Å
114	Q	56.4	Low	63.6	Low	82 Å²	82	67.6 Å²	67.6	38%	0.383	37%	0.371	S	S	.	.	H	α-helix	trans	-62.8	-36.7	176	-71.2	-175.3	-6.4	0	0	112.2	N106 K109 S110 A116	N106-Q114 PolarHBondContact O-NE2 3.18Å; K109-Q114 HydrophobicContact CB-CG 3.94Å; S110-Q114 PolarHBondContact O-N 3.09Å; Q114-A116 VanDerWaalsContact C-N 3.27Å; Q114-A116 PolarHBondContact O-N 3.15Å
115	S	59.5	Low	64.2	Low	69 Å²	69	66.4 Å²	66.4	48%	0.483	37%	0.369	S	S	.	.	H	α-helix	trans	-70.7	-19.8	179.3	74.8	0	0	0	0	114.1	E111 V112 D113 W118	E111-S115 WeakPolarHBondContact O-CB 3.47Å; E111-S115 PolarHBondContact O-N 3.39Å; V112-S115 PolarHBondContact O-N 3.49Å; V112-S115 PolarHBondContact O-OG 3.29Å; D113-S115 VanDerWaalsContact C-N 3.29Å; D113-S115 PolarHBondContact O-N 2.89Å; S115-W118 PolarHBondContact O-NE1 2.72Å
116	A	63.6	Low	65.4	Low	14 Å²	14	65.5 Å²	65.5	12%	0.116	36%	0.361	C	S	.	.	H	α-helix	trans	-95.2	-21.7	-177.2	0	0	0	0	0	113.5	V112 D113 Q114 W118 I119	V112-A116 PolarHBondContact O-N 3.25Å; D113-A116 PolarHBondContact O-N 3.15Å; Q114-A116 VanDerWaalsContact C-N 3.27Å; Q114-A116 PolarHBondContact O-N 3.15Å; A116-W118 PolarHBondContact O-N 3.46Å; A116-I119 WeakPolarHBondContact O-CB 3.21Å; A116-I119 WeakPolarHBondContact O-CG1 3.48Å; A116-I119 PolarHBondContact O-N 3.25Å; A116-I119 VanDerWaalsContact O-N 3.1Å
117	E	65.1	Low	66.2	Low	28 Å²	28	65.6 Å²	65.6	13%	0.131	36%	0.364	C	S	.	.	H	α-helix	trans	-67.5	-33.7	-170.9	-81.3	175.9	-171.8	0	0	114.4	S102 K109 D113 I119 E120	S102-E117 PolarHBondContact OG-O 3.23Å; K109-E117 WeakPolarHBondContact CD-OE1 3.31Å; K109-E117 WeakPolarHBondContact CE-OE1 3.27Å; K109-E117 IonicContact NZ-OE1 2.69Å; K109-E117 PolarHBondContact NZ-OE1 3.04Å; K109-E117 IonicContact NZ-OE2 2.7Å; K109-E117 PolarHBondContact NZ-OE2 3.3Å; D113-E117 WeakPolarHBondContact O-CG 3.24Å; D113-E117 PolarHBondContact O-N 3.15Å; E117-I119 PolarHBondContact O-N 3.41Å; E117-E120 PolarHBondContact O-N 3.47Å
118	W	76.2	Confident	67.5	Low	133 Å²	133	61.1 Å²	61.1	50%	0.504	33%	0.326	S	S	.	.	H	α-helix	trans	-66.4	-23.1	175.8	72.9	-85.8	0	0	0	112.5	L99 S115 A116 E120 G121 A122	L99-W118 HydrophobicContact CD1-CB 4.34Å; S115-W118 PolarHBondContact O-NE1 2.72Å; A116-W118 PolarHBondContact O-N 3.46Å; W118-E120 VanDerWaalsContact C-N 3.3Å; W118-E120 PolarHBondContact O-N 3.35Å; W118-G121 PolarHBondContact O-N 2.75Å; W118-A122 HydrophobicContact CE3-CB 3.86Å; W118-A122 HydrophobicContact CZ3-CB 3.96Å; W118-A122 VanDerWaalsContact O-CB 3.3Å; W118-A122 WeakPolarHBondContact O-CB 3.49Å; W118-A122 PolarHBondContact O-N 2.85Å
119	I	75.2	Confident	69	Low	39 Å²	39	58.6 Å²	58.6	20%	0.2	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-36.8	-179.3	-56.3	176.7	0	0	0	110	A116 E117 A122 A123	A116-I119 WeakPolarHBondContact O-CB 3.21Å; A116-I119 WeakPolarHBondContact O-CG1 3.48Å; A116-I119 PolarHBondContact O-N 3.25Å; A116-I119 VanDerWaalsContact O-N 3.1Å; E117-I119 PolarHBondContact O-N 3.41Å; I119-A122 PolarHBondContact O-N 3.07Å; I119-A123 WeakPolarHBondContact O-CB 3.49Å; I119-A123 PolarHBondContact O-N 3.34Å
120	E	68.5	Low	70.3	Confident	60 Å²	60	58.8 Å²	58.8	28%	0.28	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-50.8	179.4	-173.9	173.3	-172.5	0	0	111.5	E117 W118 A123 I124	E117-E120 PolarHBondContact O-N 3.47Å; W118-E120 VanDerWaalsContact C-N 3.3Å; W118-E120 PolarHBondContact O-N 3.35Å; E120-A123 PolarHBondContact O-N 2.89Å; E120-I124 HydrophobicContact CG-CD1 4.43Å; E120-I124 VanDerWaalsContact O-CG1 3.32Å; E120-I124 WeakPolarHBondContact O-CG1 3.32Å; E120-I124 PolarHBondContact O-N 2.81Å; E120-I124 VanDerWaalsContact O-N 3.08Å
121	G	73.2	Confident	71.2	Confident	2 Å²	2	56.5 Å²	56.5	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-42.1	177.4	0	0	0	0	0	112.9	W118 I124 F125	W118-G121 PolarHBondContact O-N 2.75Å; G121-I124 PolarHBondContact O-N 3Å; G121-F125 PolarHBondContact O-N 3.05Å
122	A	81.2	Confident	72.4	Confident	29 Å²	29	48.5 Å²	48.5	24%	0.24	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-40.8	177.4	0	0	0	0	0	112.3	W118 I119 F125 V126	W118-A122 HydrophobicContact CE3-CB 3.86Å; W118-A122 HydrophobicContact CZ3-CB 3.96Å; W118-A122 VanDerWaalsContact O-CB 3.3Å; W118-A122 WeakPolarHBondContact O-CB 3.49Å; W118-A122 PolarHBondContact O-N 2.85Å; I119-A122 PolarHBondContact O-N 3.07Å; A122-F125 WeakPolarHBondContact O-CB 3.46Å; A122-F125 PolarHBondContact O-N 3.32Å; A122-V126 WeakPolarHBondContact O-CG2 3.31Å; A122-V126 PolarHBondContact O-N 3.02Å
123	A	74.6	Confident	73.8	Confident	19 Å²	19	47.8 Å²	47.8	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-67.6	-37.1	178.8	0	0	0	0	0	112.1	I119 E120 F125 V126 A127 I839	I119-A123 WeakPolarHBondContact O-CB 3.49Å; I119-A123 PolarHBondContact O-N 3.34Å; E120-A123 PolarHBondContact O-N 2.89Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 2.89Å; A123-V126 PolarHBondContact O-N 3.47Å; A123-A127 VanDerWaalsContact O-CB 3.31Å; A123-A127 WeakPolarHBondContact O-CB 3.06Å; A123-A127 PolarHBondContact O-N 2.88Å; A123-I839 HydrophobicContact CB-CD1 3.31Å; A123-I839 HydrophobicContact CB-CG1 3.7Å
124	I	74.4	Confident	74.5	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-43.7	171.3	-65.2	165.4	0	0	0	110.2	A95 E120 G121 A127 I128	A95-I124 HydrophobicContact CB-CB 4.17Å; A95-I124 HydrophobicContact CB-CG2 3.74Å; E120-I124 HydrophobicContact CG-CD1 4.43Å; E120-I124 VanDerWaalsContact O-CG1 3.32Å; E120-I124 WeakPolarHBondContact O-CG1 3.32Å; E120-I124 PolarHBondContact O-N 2.81Å; E120-I124 VanDerWaalsContact O-N 3.08Å; G121-I124 PolarHBondContact O-N 3Å; I124-A127 PolarHBondContact O-N 2.82Å; I124-I128 HydrophobicContact CG2-CD1 3.81Å; I124-I128 HydrophobicContact CG2-CG1 4.39Å; I124-I128 VanDerWaalsContact O-CG1 3.25Å; I124-I128 WeakPolarHBondContact O-CG1 3.42Å; I124-I128 PolarHBondContact O-N 2.9Å
125	F	81.7	Confident	75.1	Confident	116 Å²	116	46.4 Å²	46.4	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-62.7	-44.7	178.3	-170.6	-95.3	0	0	0	112.6	G121 A122 A123 A127 I128 L129	G121-F125 PolarHBondContact O-N 3.05Å; A122-F125 WeakPolarHBondContact O-CB 3.46Å; A122-F125 PolarHBondContact O-N 3.32Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 2.89Å; F125-A127 VanDerWaalsContact C-N 3.35Å; F125-I128 PolarHBondContact O-N 3.23Å; F125-L129 PolarHBondContact O-N 3.01Å
126	V	82.5	Confident	76.1	Confident	84 Å²	84	43.1 Å²	43.1	51%	0.509	23%	0.232	S	C	.	.	H	α-helix	trans	-63.2	-42	175.7	173.7	0	0	0	0	111	A122 A123 L129 V130	A122-V126 WeakPolarHBondContact O-CG2 3.31Å; A122-V126 PolarHBondContact O-N 3.02Å; A123-V126 PolarHBondContact O-N 3.47Å; V126-L129 WeakPolarHBondContact O-CB 3.33Å; V126-L129 PolarHBondContact O-N 2.94Å; V126-V130 WeakPolarHBondContact O-CG2 3.41Å; V126-V130 PolarHBondContact O-N 3.42Å
127	A	75.2	Confident	76.7	Confident	19 Å²	19	43.6 Å²	43.6	16%	0.157	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-44.4	176.9	0	0	0	0	0	111.8	A123 I124 F125 L129 V130 V131 L842	A123-A127 VanDerWaalsContact O-CB 3.31Å; A123-A127 WeakPolarHBondContact O-CB 3.06Å; A123-A127 PolarHBondContact O-N 2.88Å; I124-A127 PolarHBondContact O-N 2.82Å; F125-A127 VanDerWaalsContact C-N 3.35Å; A127-L129 VanDerWaalsContact C-N 3.33Å; A127-L129 PolarHBondContact O-N 2.88Å; A127-V130 PolarHBondContact O-N 3.16Å; A127-V131 WeakPolarHBondContact O-CG2 3.31Å; A127-V131 PolarHBondContact O-N 2.72Å; A127-L842 HydrophobicContact CB-CB 4.36Å; A127-L842 HydrophobicContact CB-CD1 3.71Å
128	I	79.5	Confident	76.8	Confident	9 Å²	9	43.9 Å²	43.9	5%	0.046	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-44.8	174.2	-68.8	165.3	0	0	0	110.6	L88 L91 I92 I124 F125 V130 V131 V132	L88-I128 HydrophobicContact CD2-CG2 4.23Å; L91-I128 HydrophobicContact CB-CD1 3.81Å; L91-I128 HydrophobicContact CB-CG1 4.38Å; I92-I128 HydrophobicContact CD1-CG2 4.32Å; I92-I128 HydrophobicContact CG1-CD1 3.95Å; I92-I128 HydrophobicContact CG1-CG2 4.02Å; I124-I128 HydrophobicContact CG2-CD1 3.81Å; I124-I128 HydrophobicContact CG2-CG1 4.39Å; I124-I128 VanDerWaalsContact O-CG1 3.25Å; I124-I128 WeakPolarHBondContact O-CG1 3.42Å; I124-I128 PolarHBondContact O-N 2.9Å; F125-I128 PolarHBondContact O-N 3.23Å; I128-V130 VanDerWaalsContact C-N 3.34Å; I128-V130 PolarHBondContact O-N 3.02Å; I128-V131 PolarHBondContact O-N 3.37Å; I128-V132 HydrophobicContact CG2-CG2 4.26Å; I128-V132 WeakPolarHBondContact O-CB 3.48Å; I128-V132 VanDerWaalsContact O-CG2 3.27Å; I128-V132 WeakPolarHBondContact O-CG2 3.3Å; I128-V132 PolarHBondContact O-N 2.64Å
129	L	84.6	Confident	76.4	Confident	91 Å²	91	39.9 Å²	39.9	48%	0.476	23%	0.229	S	C	.	.	H	α-helix	trans	-59.3	-45.3	177.3	-179.9	65.9	0	0	0	111.6	F125 V126 A127 V132 L133	F125-L129 PolarHBondContact O-N 3.01Å; V126-L129 WeakPolarHBondContact O-CB 3.33Å; V126-L129 PolarHBondContact O-N 2.94Å; A127-L129 VanDerWaalsContact C-N 3.33Å; A127-L129 PolarHBondContact O-N 2.88Å; L129-V132 PolarHBondContact O-N 3.37Å; L129-L133 HydrophobicContact CD1-CD1 4.31Å; L129-L133 HydrophobicContact CD1-CG 4.35Å; L129-L133 HydrophobicContact CG-CD1 4.08Å; L129-L133 HydrophobicContact CG-CG 4.5Å; L129-L133 WeakPolarHBondContact O-CB 3.14Å; L129-L133 VanDerWaalsContact O-CG 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.4Å; L129-L133 PolarHBondContact O-N 3.06Å
130	V	81	Confident	76.5	Confident	62 Å²	62	43 Å²	43	38%	0.376	24%	0.239	S	C	.	.	H	α-helix	trans	-61.9	-47	176.9	172.4	0	0	0	0	110.9	V126 A127 I128 V132 L133 V134 L846	V126-V130 WeakPolarHBondContact O-CG2 3.41Å; V126-V130 PolarHBondContact O-N 3.42Å; A127-V130 PolarHBondContact O-N 3.16Å; I128-V130 VanDerWaalsContact C-N 3.34Å; I128-V130 PolarHBondContact O-N 3.02Å; V130-V132 VanDerWaalsContact C-N 3.35Å; V130-V132 PolarHBondContact O-N 3.33Å; V130-L133 PolarHBondContact O-N 2.82Å; V130-V134 HydrophobicContact CG1-CG2 4.32Å; V130-V134 WeakPolarHBondContact O-CB 3.33Å; V130-V134 VanDerWaalsContact O-CG2 3.3Å; V130-V134 WeakPolarHBondContact O-CG2 3.34Å; V130-V134 PolarHBondContact O-N 2.78Å; V130-L846 HydrophobicContact CG1-CD2 4.29Å
131	V	74.2	Confident	76.5	Confident	24 Å²	24	42.5 Å²	42.5	15%	0.145	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-45.3	177.7	171	0	0	0	0	111	L88 A127 I128 V134 T135	L88-V131 HydrophobicContact CD2-CG1 4.33Å; A127-V131 WeakPolarHBondContact O-CG2 3.31Å; A127-V131 PolarHBondContact O-N 2.72Å; I128-V131 PolarHBondContact O-N 3.37Å; V131-V134 PolarHBondContact O-N 3.04Å; V131-T135 VanDerWaalsContact O-CB 3.26Å; V131-T135 WeakPolarHBondContact O-CB 3.43Å; V131-T135 PolarHBondContact O-N 3.44Å; V131-T135 PolarHBondContact O-OG1 2.87Å
132	V	81.8	Confident	76.1	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-43.8	177.2	168.1	0	0	0	0	111.2	A79 A82 M83 L88 I128 L129 V130 T135 A136	A79-V132 HydrophobicContact CB-CG1 4.14Å; A82-V132 HydrophobicContact CB-CG1 4.37Å; M83-V132 HydrophobicContact CG-CB 4.48Å; M83-V132 HydrophobicContact CG-CG1 3.78Å; M83-V132 HydrophobicContact CG-CG2 3.88Å; L88-V132 HydrophobicContact CD1-CG2 4.27Å; I128-V132 HydrophobicContact CG2-CG2 4.26Å; I128-V132 WeakPolarHBondContact O-CB 3.48Å; I128-V132 VanDerWaalsContact O-CG2 3.27Å; I128-V132 WeakPolarHBondContact O-CG2 3.3Å; I128-V132 PolarHBondContact O-N 2.64Å; L129-V132 PolarHBondContact O-N 3.37Å; V130-V132 VanDerWaalsContact C-N 3.35Å; V130-V132 PolarHBondContact O-N 3.33Å; V132-T135 PolarHBondContact O-N 3.28Å; V132-A136 WeakPolarHBondContact O-CB 3.42Å; V132-A136 PolarHBondContact O-N 2.89Å
133	L	84.6	Confident	75.4	Confident	80 Å²	80	46.2 Å²	46.2	42%	0.419	26%	0.255	S	S	.	.	H	α-helix	trans	-65.2	-42.8	178.8	-73.7	174	0	0	0	112.1	F75 L129 V130 A136 G137	F75-L133 HydrophobicContact CE1-CD2 4.05Å; F75-L133 HydrophobicContact CZ-CD2 4.05Å; L129-L133 HydrophobicContact CD1-CD1 4.31Å; L129-L133 HydrophobicContact CD1-CG 4.35Å; L129-L133 HydrophobicContact CG-CD1 4.08Å; L129-L133 HydrophobicContact CG-CG 4.5Å; L129-L133 WeakPolarHBondContact O-CB 3.14Å; L129-L133 VanDerWaalsContact O-CG 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.4Å; L129-L133 PolarHBondContact O-N 3.06Å; V130-L133 PolarHBondContact O-N 2.82Å; L133-A136 PolarHBondContact O-N 2.98Å; L133-G137 PolarHBondContact O-N 2.9Å
134	V	72.6	Confident	75.3	Confident	46 Å²	46	52 Å²	52	28%	0.279	28%	0.277	S	S	.	.	H	α-helix	trans	-64.4	-45.5	176.1	171.7	0	0	0	0	110.3	V130 V131 G137 N138 L846	V130-V134 HydrophobicContact CG1-CG2 4.32Å; V130-V134 WeakPolarHBondContact O-CB 3.33Å; V130-V134 VanDerWaalsContact O-CG2 3.3Å; V130-V134 WeakPolarHBondContact O-CG2 3.34Å; V130-V134 PolarHBondContact O-N 2.78Å; V131-V134 PolarHBondContact O-N 3.04Å; V134-G137 PolarHBondContact O-N 2.98Å; V134-N138 WeakPolarHBondContact O-CB 3.26Å; V134-N138 VanDerWaalsContact O-CG 3.29Å; V134-N138 PolarHBondContact O-N 3.33Å; V134-N138 PolarHBondContact O-ND2 3.31Å; V134-L846 HydrophobicContact CB-CD1 4.41Å; V134-L846 HydrophobicContact CG1-CD1 4.22Å; V134-L846 HydrophobicContact CG2-CD1 4.33Å
135	T	68.3	Low	74.9	Confident	39 Å²	39	54.5 Å²	54.5	24%	0.239	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-44.2	177.8	-56.2	0	0	0	0	111.5	A82 V131 V132 N138 N139	A82-T135 HydrophobicContact CB-CG2 4.2Å; V131-T135 VanDerWaalsContact O-CB 3.26Å; V131-T135 WeakPolarHBondContact O-CB 3.43Å; V131-T135 PolarHBondContact O-N 3.44Å; V131-T135 PolarHBondContact O-OG1 2.87Å; V132-T135 PolarHBondContact O-N 3.28Å; T135-N138 PolarHBondContact O-N 3.22Å; T135-N139 WeakPolarHBondContact O-CB 3.18Å; T135-N139 PolarHBondContact O-N 2.78Å
136	A	79.9	Confident	74	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-41.9	175.5	0	0	0	0	0	111.9	F75 H78 A79 V132 L133 N139 Y140	F75-A136 HydrophobicContact CE2-CB 3.9Å; F75-A136 HydrophobicContact CZ-CB 3.93Å; H78-A136 HydrophobicContact CB-CB 4.3Å; A79-A136 HydrophobicContact CB-CB 3.89Å; V132-A136 WeakPolarHBondContact O-CB 3.42Å; V132-A136 PolarHBondContact O-N 2.89Å; L133-A136 PolarHBondContact O-N 2.98Å; A136-N139 PolarHBondContact O-N 2.89Å; A136-Y140 VanDerWaalsContact O-CB 3.24Å; A136-Y140 WeakPolarHBondContact O-CB 3.4Å; A136-Y140 PolarHBondContact O-N 3.31Å
137	G	76.8	Confident	73.4	Confident	25 Å²	25	52.5 Å²	52.5	26%	0.258	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-43.5	175.2	0	0	0	0	0	112.4	L133 V134 Y140 S141	L133-G137 PolarHBondContact O-N 2.9Å; V134-G137 PolarHBondContact O-N 2.98Å; G137-Y140 PolarHBondContact O-N 3.31Å; G137-S141 WeakPolarHBondContact O-CB 3.42Å; G137-S141 PolarHBondContact O-N 3.45Å
138	N	67.1	Low	73.1	Confident	33 Å²	33	53.2 Å²	53.2	18%	0.176	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-45.6	175.4	-75.1	-22.6	0	0	0	111.9	V134 T135 S141 K142 L380	V134-N138 WeakPolarHBondContact O-CB 3.26Å; V134-N138 VanDerWaalsContact O-CG 3.29Å; V134-N138 PolarHBondContact O-N 3.33Å; V134-N138 PolarHBondContact O-ND2 3.31Å; T135-N138 PolarHBondContact O-N 3.22Å; N138-S141 PolarHBondContact O-N 2.78Å; N138-K142 WeakPolarHBondContact O-CB 3.49Å; N138-K142 PolarHBondContact O-N 2.94Å; N138-L380 HydrophobicContact CB-CD1 3.9Å; N138-L380 HydrophobicContact CB-CD2 4.45Å
139	N	67.2	Low	72.4	Confident	50 Å²	50	53.9 Å²	53.9	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-66.7	-36.5	178	-78.3	-24	0	0	0	113.1	T135 A136 K142 D143	T135-N139 WeakPolarHBondContact O-CB 3.18Å; T135-N139 PolarHBondContact O-N 2.78Å; A136-N139 PolarHBondContact O-N 2.89Å; N139-K142 WeakPolarHBondContact O-CB 3.47Å; N139-K142 PolarHBondContact O-N 3.1Å; N139-D143 PolarHBondContact O-N 3.05Å
140	Y	77.8	Confident	71.5	Confident	103 Å²	103	54.3 Å²	54.3	40%	0.404	28%	0.282	S	S	.	.	H	α-helix	trans	-68.2	-43.5	174.4	179.8	-108.2	0	0	0	111.6	F75 A136 G137 K142 D143 K144	F75-Y140 HydrophobicContact CB-CD2 4.43Å; F75-Y140 HydrophobicContact CD2-CD1 4.48Å; F75-Y140 HydrophobicContact CD2-CG 4.22Å; A136-Y140 VanDerWaalsContact O-CB 3.24Å; A136-Y140 WeakPolarHBondContact O-CB 3.4Å; A136-Y140 PolarHBondContact O-N 3.31Å; G137-Y140 PolarHBondContact O-N 3.31Å; Y140-K142 VanDerWaalsContact C-N 3.29Å; Y140-K142 PolarHBondContact O-N 3.47Å; Y140-D143 PolarHBondContact O-N 3.25Å; Y140-K144 WeakPolarHBondContact O-CB 3.28Å; Y140-K144 PolarHBondContact O-N 3.25Å
141	S	69	Low	71	Confident	51 Å²	51	53.2 Å²	53.2	36%	0.357	28%	0.28	S	S	.	.	H	α-helix	trans	-60.4	-40	173.5	-174.2	0	0	0	0	111.5	G137 N138 Q145	G137-S141 WeakPolarHBondContact O-CB 3.42Å; G137-S141 PolarHBondContact O-N 3.45Å; N138-S141 PolarHBondContact O-N 2.78Å; S141-Q145 VanDerWaalsContact O-CG 3.29Å; S141-Q145 WeakPolarHBondContact O-CG 3.32Å; S141-Q145 PolarHBondContact O-N 3.16Å; S141-Q145 PolarHBondContact OG-NE2 3.12Å
142	K	63.6	Low	70.7	Confident	64 Å²	64	54.5 Å²	54.5	28%	0.278	29%	0.286	S	S	.	.	H	α-helix	trans	-56.2	-57.8	172	172.5	-165.1	-178.4	158.3	0	110.9	N138 N139 Y140 K144 Q145 F146 T383	N138-K142 WeakPolarHBondContact O-CB 3.49Å; N138-K142 PolarHBondContact O-N 2.94Å; N139-K142 WeakPolarHBondContact O-CB 3.47Å; N139-K142 PolarHBondContact O-N 3.1Å; Y140-K142 VanDerWaalsContact C-N 3.29Å; Y140-K142 PolarHBondContact O-N 3.47Å; K142-K144 VanDerWaalsContact C-N 3.29Å; K142-K144 PolarHBondContact O-N 2.97Å; K142-Q145 WeakPolarHBondContact O-CB 3.22Å; K142-Q145 PolarHBondContact O-N 2.98Å; K142-F146 HydrophobicContact CD-CE2 4.2Å; K142-F146 HydrophobicContact CG-CD2 3.8Å; K142-F146 HydrophobicContact CG-CE2 3.5Å; K142-F146 WeakPolarHBondContact O-CD2 3.5Å; K142-F146 PolarHBondContact O-N 2.98Å; K142-T383 HydrophobicContact CD-CG2 3.5Å; K142-T383 HydrophobicContact CG-CG2 3.69Å
143	D	67	Low	70.1	Confident	45 Å²	45	55.6 Å²	55.6	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-38.2	-177.4	-162.8	46.6	0	0	0	112.3	N139 Y140 Q145 F146 R147	N139-D143 PolarHBondContact O-N 3.05Å; Y140-D143 PolarHBondContact O-N 3.25Å; D143-Q145 VanDerWaalsContact C-N 3.35Å; D143-Q145 PolarHBondContact O-N 3.24Å; D143-F146 WeakPolarHBondContact O-CB 3.42Å; D143-F146 PolarHBondContact O-N 2.77Å; D143-R147 WeakPolarHBondContact O-CG 3.34Å; D143-R147 PolarHBondContact O-N 2.98Å; D143-R147 IonicContact OD2-CZ 3.56Å; D143-R147 IonicContact OD2-NE 2.83Å; D143-R147 PolarHBondContact OD2-NE 3.31Å; D143-R147 IonicContact OD2-NH2 3.14Å
144	K	73.1	Confident	69.3	Low	141 Å²	141	55.1 Å²	55.1	61%	0.613	29%	0.287	S	S	*	.	H	α-helix	trans	-60.6	-41.9	173.7	-175	177	179.9	177	0	112.4	Y140 K142 G148	Y140-K144 WeakPolarHBondContact O-CB 3.28Å; Y140-K144 PolarHBondContact O-N 3.25Å; K142-K144 VanDerWaalsContact C-N 3.29Å; K142-K144 PolarHBondContact O-N 2.97Å; K144-G148 PolarHBondContact O-N 3.28Å
145	Q	64.8	Low	69.2	Low	58 Å²	58	58.3 Å²	58.3	27%	0.271	30%	0.297	S	S	.	.	H	α-helix	trans	-66.2	-40.8	176.7	-72.4	175.9	40.7	0	0	111.6	S141 K142 D143 G148 L149	S141-Q145 VanDerWaalsContact O-CG 3.29Å; S141-Q145 WeakPolarHBondContact O-CG 3.32Å; S141-Q145 PolarHBondContact O-N 3.16Å; S141-Q145 PolarHBondContact OG-NE2 3.12Å; K142-Q145 WeakPolarHBondContact O-CB 3.22Å; K142-Q145 PolarHBondContact O-N 2.98Å; D143-Q145 VanDerWaalsContact C-N 3.35Å; D143-Q145 PolarHBondContact O-N 3.24Å; Q145-G148 PolarHBondContact O-N 2.92Å; Q145-L149 WeakPolarHBondContact O-CG 3.43Å; Q145-L149 PolarHBondContact O-N 3.31Å
146	F	64.1	Low	69.2	Low	68 Å²	68	61 Å²	61	30%	0.298	31%	0.307	S	S	.	.	H	α-helix	trans	-59.6	-47.4	174.7	-84.7	-75.7	0	0	0	112.8	K142 D143 G148 L149 Q150 L403	K142-F146 HydrophobicContact CD-CE2 4.2Å; K142-F146 HydrophobicContact CG-CD2 3.8Å; K142-F146 HydrophobicContact CG-CE2 3.5Å; K142-F146 WeakPolarHBondContact O-CD2 3.5Å; K142-F146 PolarHBondContact O-N 2.98Å; D143-F146 WeakPolarHBondContact O-CB 3.42Å; D143-F146 PolarHBondContact O-N 2.77Å; F146-G148 VanDerWaalsContact C-N 3.29Å; F146-G148 PolarHBondContact O-N 3.23Å; F146-L149 WeakPolarHBondContact O-CB 3.46Å; F146-L149 PolarHBondContact O-N 3.21Å; F146-L149 VanDerWaalsContact O-N 3.11Å; F146-Q150 PolarHBondContact O-N 3.07Å; F146-L403 HydrophobicContact CD1-CD1 4.45Å; F146-L403 HydrophobicContact CE1-CD1 3.18Å; F146-L403 HydrophobicContact CE1-CD2 4.27Å; F146-L403 HydrophobicContact CE1-CG 3.9Å; F146-L403 HydrophobicContact CE2-CD1 4.45Å; F146-L403 HydrophobicContact CZ-CD1 3.18Å; F146-L403 HydrophobicContact CZ-CG 4.35Å
147	R	68.5	Low	68.9	Low	90 Å²	90	65.5 Å²	65.5	34%	0.34	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-39.8	177.2	-71.3	165.1	174.3	-86.6	-27.1	112	K70 P72 D143 L149 Q150 A151	K70-R147 PolarHBondContact O-NH2 3.13Å; P72-R147 VanDerWaalsContact CB-NH1 3.32Å; P72-R147 VanDerWaalsContact N-NH2 3.16Å; D143-R147 WeakPolarHBondContact O-CG 3.34Å; D143-R147 PolarHBondContact O-N 2.98Å; D143-R147 IonicContact OD2-CZ 3.56Å; D143-R147 IonicContact OD2-NE 2.83Å; D143-R147 PolarHBondContact OD2-NE 3.31Å; D143-R147 IonicContact OD2-NH2 3.14Å; R147-L149 VanDerWaalsContact C-N 3.3Å; R147-L149 PolarHBondContact O-N 2.89Å; R147-Q150 PolarHBondContact O-N 2.88Å; R147-A151 WeakPolarHBondContact O-CB 3.49Å; R147-A151 PolarHBondContact O-N 3.15Å
148	G	69.3	Low	69.2	Low	35 Å²	35	70 Å²	70	36%	0.361	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-35.8	174.7	0	0	0	0	0	113.2	K144 Q145 F146 N152	K144-G148 PolarHBondContact O-N 3.28Å; Q145-G148 PolarHBondContact O-N 2.92Å; F146-G148 VanDerWaalsContact C-N 3.29Å; F146-G148 PolarHBondContact O-N 3.23Å; G148-N152 VanDerWaalsContact O-CG 3.3Å; G148-N152 PolarHBondContact O-N 3.38Å; G148-N152 PolarHBondContact O-ND2 3.22Å
149	L	64.4	Low	70.1	Confident	22 Å²	22	68.7 Å²	68.7	12%	0.115	33%	0.333	C	S	.	.	H	α-helix	trans	-70	-47.4	174.1	-67.7	168.1	0	0	0	111.2	Q145 F146 R147 A151 N152 I153 V390 M394	Q145-L149 WeakPolarHBondContact O-CG 3.43Å; Q145-L149 PolarHBondContact O-N 3.31Å; F146-L149 WeakPolarHBondContact O-CB 3.46Å; F146-L149 PolarHBondContact O-N 3.21Å; F146-L149 VanDerWaalsContact O-N 3.11Å; R147-L149 VanDerWaalsContact C-N 3.3Å; R147-L149 PolarHBondContact O-N 2.89Å; L149-A151 VanDerWaalsContact C-N 3.34Å; L149-A151 PolarHBondContact O-N 3.38Å; L149-N152 PolarHBondContact O-N 3.15Å; L149-I153 WeakPolarHBondContact O-CG1 3.49Å; L149-I153 PolarHBondContact O-N 3.29Å; L149-V390 HydrophobicContact CD1-CB 4.41Å; L149-V390 HydrophobicContact CD1-CG1 3.59Å; L149-V390 HydrophobicContact CD2-CG1 3.8Å; L149-V390 HydrophobicContact CG-CG1 4.34Å; L149-M394 HydrophobicContact CD2-SD 4.24Å
150	Q	66.7	Low	71.1	Confident	100 Å²	100	67.6 Å²	67.6	47%	0.467	33%	0.329	S	S	.	.	H	α-helix	trans	-58.9	-45.3	178.7	-171.3	64	21.5	0	0	111.9	F146 R147 N152 I153 E154	F146-Q150 PolarHBondContact O-N 3.07Å; R147-Q150 PolarHBondContact O-N 2.88Å; Q150-N152 PolarHBondContact O-N 3.46Å; Q150-I153 PolarHBondContact O-N 3.08Å; Q150-I153 VanDerWaalsContact O-N 3.17Å; Q150-E154 WeakPolarHBondContact O-CG 3.44Å; Q150-E154 PolarHBondContact O-N 2.94Å
151	A	70.6	Confident	71.8	Confident	40 Å²	40	62.7 Å²	62.7	33%	0.331	31%	0.31	S	S	.	.	H	α-helix	trans	-64.4	-22.2	177.7	0	0	0	0	0	113.6	R147 L149 K155	R147-A151 WeakPolarHBondContact O-CB 3.49Å; R147-A151 PolarHBondContact O-N 3.15Å; L149-A151 VanDerWaalsContact C-N 3.34Å; L149-A151 PolarHBondContact O-N 3.38Å; A151-K155 WeakPolarHBondContact O-CD 3.03Å; A151-K155 VanDerWaalsContact O-CG 3.29Å; A151-K155 WeakPolarHBondContact O-CG 3.47Å
152	N	68.4	Low	72.7	Confident	50 Å²	50	60.7 Å²	60.7	27%	0.267	30%	0.296	S	S	.	.	H	α-helix	trans	-83.6	-38.5	173.9	-71.3	-20.3	0	0	0	111.6	G148 L149 Q150 E154 K155 M394	G148-N152 VanDerWaalsContact O-CG 3.3Å; G148-N152 PolarHBondContact O-N 3.38Å; G148-N152 PolarHBondContact O-ND2 3.22Å; L149-N152 PolarHBondContact O-N 3.15Å; Q150-N152 PolarHBondContact O-N 3.46Å; N152-E154 VanDerWaalsContact C-N 3.28Å; N152-E154 PolarHBondContact O-N 3.15Å; N152-K155 PolarHBondContact O-N 3.48Å; N152-K155 VanDerWaalsContact O-N 3.14Å; N152-M394 HydrophobicContact CB-SD 4.13Å; N152-M394 WeakPolarHBondContact ND2-CE 2.97Å; N152-M394 PolarHBondContact ND2-SD 3.15Å; N152-M394 VanDerWaalsContact ND2-SD 3.4Å
153	I	67.3	Low	73.9	Confident	27 Å²	27	59 Å²	59	14%	0.138	29%	0.287	C	S	.	.	H	α-helix	trans	-58	-44.6	172.9	-63.5	166.7	0	0	0	110	L149 Q150 K155 E156 L399	L149-I153 WeakPolarHBondContact O-CG1 3.49Å; L149-I153 PolarHBondContact O-N 3.29Å; Q150-I153 PolarHBondContact O-N 3.08Å; Q150-I153 VanDerWaalsContact O-N 3.17Å; I153-K155 PolarHBondContact O-N 3.11Å; I153-E156 PolarHBondContact O-N 2.95Å; I153-L399 HydrophobicContact CG1-CD1 3.76Å; I153-L399 HydrophobicContact CG1-CD2 4.01Å; I153-L399 HydrophobicContact CG1-CG 4.1Å
154	E	68.7	Low	74.7	Confident	71 Å²	71	61.1 Å²	61.1	33%	0.332	30%	0.299	S	S	.	.	H	α-helix	trans	-63.5	-24.7	178.5	-72.9	172.2	-166.6	0	0	113.6	Q150 N152 E156	Q150-E154 WeakPolarHBondContact O-CG 3.44Å; Q150-E154 PolarHBondContact O-N 2.94Å; N152-E154 VanDerWaalsContact C-N 3.28Å; N152-E154 PolarHBondContact O-N 3.15Å; E154-E156 VanDerWaalsContact C-N 3.34Å
155	K	70.5	Confident	74.9	Confident	113 Å²	113	56.4 Å²	56.4	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-78.7	-16.6	178.1	-74.8	170.6	-172.4	173.3	0	113.6	A151 N152 I153 L171	A151-K155 WeakPolarHBondContact O-CD 3.03Å; A151-K155 VanDerWaalsContact O-CG 3.29Å; A151-K155 WeakPolarHBondContact O-CG 3.47Å; N152-K155 PolarHBondContact O-N 3.48Å; N152-K155 VanDerWaalsContact O-N 3.14Å; I153-K155 PolarHBondContact O-N 3.11Å; K155-L171 WeakPolarHBondContact O-CD2 3.2Å
156	E	68.4	Low	75.8	Confident	94 Å²	94	59.8 Å²	59.8	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-88.4	-16.5	-178.1	-70.3	-170.4	178.6	0	0	113	I153 E154 K158 L399	I153-E156 PolarHBondContact O-N 2.95Å; E154-E156 VanDerWaalsContact C-N 3.34Å; E156-K158 PolarHBondContact O-N 2.95Å; E156-L399 VanDerWaalsContact OE2-CD2 3.26Å; E156-L399 WeakPolarHBondContact OE2-CD2 3.43Å
157	Q	74.3	Confident	76.7	Confident	95 Å²	95	59.8 Å²	59.8	44%	0.444	32%	0.319	S	S	.	.			trans	-76.9	106.4	179.7	-66.8	-177.3	-28.5	0	0	111.1	V172	Q157-V172 HydrophobicContact CB-CB 4.49Å; Q157-V172 HydrophobicContact CB-CG2 3.95Å; Q157-V172 PolarHBondContact O-N 2.88Å; Q157-V172 VanDerWaalsContact O-N 3.1Å
158	K	82.7	Confident	77.5	Confident	120 Å²	120	59.6 Å²	59.6	52%	0.522	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	150.5	176.9	-64.5	178.3	-174.9	177.6	0	110.6	E156 V170 L171	E156-K158 PolarHBondContact O-N 2.95Å; K158-V170 CarbonylContact C-O 3.56Å; K158-V170 WeakPolarHBondContact CA-O 3.34Å; K158-L171 HydrophobicContact CG-CD2 4.05Å
159	F	86.6	Confident	78.2	Confident	5 Å²	5	63.3 Å²	63.3	2%	0.022	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.3	177.1	-150.1	-92.7	0	0	0	110.6	Q169 V170 V172 I175 C181 V183 D187 L188 P190	F159-Q169 WeakPolarHBondContact O-CA 3.27Å; F159-V170 PolarHBondContact N-O 3.27Å; F159-V170 PolarHBondContact O-N 3.02Å; F159-V172 HydrophobicContact CB-CG2 4.42Å; F159-I175 HydrophobicContact CB-CD1 3.86Å; F159-I175 HydrophobicContact CG-CD1 4.38Å; F159-C181 HydrophobicContact CD1-CB 4.2Å; F159-C181 HydrophobicContact CE1-CB 3.8Å; F159-V183 HydrophobicContact CE1-CG1 4.46Å; F159-V183 HydrophobicContact CZ-CG1 3.83Å; F159-D187 HydrophobicContact CE2-CB 3.9Å; F159-D187 HydrophobicContact CZ-CB 4.17Å; F159-L188 VanDerWaalsContact CE2-O 3.3Å; F159-L188 WeakPolarHBondContact CE2-O 3.44Å; F159-P190 HydrophobicContact CB-CG 4.46Å; F159-P190 HydrophobicContact CD1-CG 4.01Å; F159-P190 HydrophobicContact CD2-CB 4.45Å; F159-P190 HydrophobicContact CD2-CG 3.88Å; F159-P190 HydrophobicContact CE1-CG 4.27Å; F159-P190 HydrophobicContact CE2-CG 4.11Å; F159-P190 HydrophobicContact CG-CG 3.83Å; F159-P190 HydrophobicContact CZ-CG 4.31Å
160	C	88.4	Confident	79.3	Confident	27 Å²	27	63 Å²	63	18%	0.182	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.2	178.7	-157.3	0	0	0	0	110.5	E168 L182	C160-E168 WeakPolarHBondContact CA-O 3.42Å; C160-L182 HydrophobicContact CB-CB 4.26Å; C160-L182 PolarHBondContact O-N 3.3Å
161	V	90.9	Very high	80.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.6	174.8	-60.2	0	0	0	0	110.4	R163 A167 E168 V170 I175 D179 I180	V161-R163 HydrophobicContact CG2-CG 4.15Å; V161-A167 CarbonylContact O-C 3.54Å; V161-A167 WeakPolarHBondContact O-CA 3.46Å; V161-E168 PolarHBondContact N-O 3.46Å; V161-E168 PolarHBondContact O-N 3.44Å; V161-V170 HydrophobicContact CB-CG2 4.22Å; V161-V170 HydrophobicContact CG1-CG2 3.64Å; V161-V170 HydrophobicContact CG2-CB 4.18Å; V161-V170 HydrophobicContact CG2-CG1 3.59Å; V161-V170 HydrophobicContact CG2-CG2 3.5Å; V161-V170 VanDerWaalsContact CG2-CG2 3.5Å; V161-I175 HydrophobicContact CG1-CG1 4.33Å; V161-D179 HydrophobicContact CG1-CB 4.4Å; V161-I180 CarbonylContact C-O 3.54Å; V161-I180 VanDerWaalsContact CA-O 3.22Å; V161-I180 WeakPolarHBondContact CA-O 3.36Å
162	V	88.6	Confident	81.2	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.6	171	-172.8	0	0	0	0	108.8	Q166 I180 L182	V162-Q166 WeakPolarHBondContact CA-O 3.45Å; V162-I180 HydrophobicContact CB-CB 4.24Å; V162-I180 HydrophobicContact CB-CG2 4.42Å; V162-I180 HydrophobicContact CG2-CG2 4.31Å; V162-I180 PolarHBondContact N-O 3.03Å; V162-L182 HydrophobicContact CG2-CD1 3.79Å; V162-L182 HydrophobicContact CG2-CD2 3.74Å; V162-L182 HydrophobicContact CG2-CG 3.68Å
163	R	88	Confident	82.1	Confident	28 Å²	28	63.4 Å²	63.4	11%	0.106	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.8	173.6	-67	-179.8	176.9	170.5	-0.4	108.2	D47 L49 V161 G165 Q166 D174 D179	D47-R163 CarbonylContact O-C 3.48Å; L49-R163 CarbonylContact O-C 3.47Å; L49-R163 WeakPolarHBondContact O-CA 3.35Å; V161-R163 HydrophobicContact CG2-CG 4.15Å; R163-G165 PolarHBondContact O-N 3.01Å; R163-Q166 PolarHBondContact N-O 2.64Å; R163-Q166 PolarHBondContact O-N 2.71Å; R163-Q166 VanDerWaalsContact O-O 3.1Å; R163-D174 PolarHBondContact NH2-O 2.89Å; R163-D174 VanDerWaalsContact NH2-O 3.17Å; R163-D179 IonicContact CZ-OD1 3.87Å; R163-D179 IonicContact CZ-OD2 3.92Å; R163-D179 IonicContact NE-OD1 2.95Å; R163-D179 PolarHBondContact NE-OD1 3.4Å; R163-D179 IonicContact NE-OD2 2.79Å; R163-D179 IonicContact NH2-OD1 3.79Å; R163-D179 PolarHBondContact NH2-OD1 3.08Å; R163-D179 IonicContact NH2-OD2 2.85Å; R163-D179 PolarHBondContact NH2-OD2 2.72Å
164	N	84.3	Confident	83.1	Confident	90 Å²	90	64.1 Å²	64.1	48%	0.481	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	34.8	-173.8	-71.9	-55.6	0	0	0	114.4	D47 L49 C50 Q166	D47-N164 PolarHBondContact O-N 2.79Å; L49-N164 PolarHBondContact O-N 2.73Å; C50-N164 WeakPolarHBondContact CA-OD1 3.28Å; C50-N164 WeakPolarHBondContact CB-OD1 3.48Å; C50-N164 PolarHBondContact O-ND2 2.9Å; C50-N164 PolarHBondContact O-OD1 3.39Å; N164-Q166 PolarHBondContact O-N 2.99Å; N164-Q166 VanDerWaalsContact O-N 3.15Å
165	G	78.3	Confident	84.2	Confident	42 Å²	42	60.8 Å²	60.8	43%	0.433	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	2.3	-177	0	0	0	0	0	114.9	D47 R163	D47-G165 PolarHBondContact O-N 2.88Å; R163-G165 PolarHBondContact O-N 3.01Å
166	Q	82.1	Confident	85.3	Confident	129 Å²	129	55.4 Å²	55.4	60%	0.603	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.2	177.8	-63.2	-169.3	-6	0	0	110.8	V162 R163 N164 E168	V162-Q166 WeakPolarHBondContact CA-O 3.45Å; R163-Q166 PolarHBondContact N-O 2.64Å; R163-Q166 PolarHBondContact O-N 2.71Å; R163-Q166 VanDerWaalsContact O-O 3.1Å; N164-Q166 PolarHBondContact O-N 2.99Å; N164-Q166 VanDerWaalsContact O-N 3.15Å; Q166-E168 PolarHBondContact O-N 3.19Å
167	A	84.2	Confident	86.5	Confident	68 Å²	68	51 Å²	51	56%	0.562	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	112.2	173.1	0	0	0	0	0	109.6	V161 L182	V161-A167 CarbonylContact O-C 3.54Å; V161-A167 WeakPolarHBondContact O-CA 3.46Å; A167-L182 HydrophobicContact CB-CD1 3.99Å
168	E	84.5	Confident	87.2	Confident	87 Å²	87	46.5 Å²	46.5	41%	0.407	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.6	179.7	-64.5	-170.6	164.4	0	0	111.2	C160 V161 Q166	C160-E168 WeakPolarHBondContact CA-O 3.42Å; V161-E168 PolarHBondContact N-O 3.46Å; V161-E168 PolarHBondContact O-N 3.44Å; Q166-E168 PolarHBondContact O-N 3.19Å
169	Q	85.1	Confident	87.7	Confident	113 Å²	113	40.8 Å²	40.8	53%	0.528	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	108.1	175.1	-73	-74.9	-23.6	0	0	109.6	F159	F159-Q169 WeakPolarHBondContact O-CA 3.27Å
170	V	87.7	Confident	87.9	Confident	16 Å²	16	40.6 Å²	40.6	10%	0.097	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	155.6	-179.6	-61.7	0	0	0	0	110.8	K158 F159 V161 I175	K158-V170 CarbonylContact C-O 3.56Å; K158-V170 WeakPolarHBondContact CA-O 3.34Å; F159-V170 PolarHBondContact N-O 3.27Å; F159-V170 PolarHBondContact O-N 3.02Å; V161-V170 HydrophobicContact CB-CG2 4.22Å; V161-V170 HydrophobicContact CG1-CG2 3.64Å; V161-V170 HydrophobicContact CG2-CB 4.18Å; V161-V170 HydrophobicContact CG2-CG1 3.59Å; V161-V170 HydrophobicContact CG2-CG2 3.5Å; V161-V170 VanDerWaalsContact CG2-CG2 3.5Å; V170-I175 HydrophobicContact CG2-CG1 3.94Å
171	L	87.4	Confident	88.1	Confident	33 Å²	33	39.6 Å²	39.6	17%	0.173	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	145.1	172.6	-64.9	167.3	0	0	0	109.6	K155 K158 R173 D174	K155-L171 WeakPolarHBondContact O-CD2 3.2Å; K158-L171 HydrophobicContact CG-CD2 4.05Å; L171-R173 HydrophobicContact CB-CG 3.99Å; L171-R173 PolarHBondContact O-N 3.18Å; L171-R173 VanDerWaalsContact O-N 3.13Å; L171-D174 HydrophobicContact CB-CB 4.43Å; L171-D174 WeakPolarHBondContact CB-OD2 3.45Å; L171-D174 WeakPolarHBondContact O-CA 3.28Å; L171-D174 WeakPolarHBondContact O-CB 3.46Å; L171-D174 PolarHBondContact O-N 2.99Å
172	V	88.6	Confident	88	Confident	34 Å²	34	41.8 Å²	41.8	21%	0.206	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-54.4	-37.5	179.9	169.7	0	0	0	0	112.1	N65 Q157 F159 D174 I175 P190	N65-V172 PolarHBondContact ND2-O 3.47Å; Q157-V172 HydrophobicContact CB-CB 4.49Å; Q157-V172 HydrophobicContact CB-CG2 3.95Å; Q157-V172 PolarHBondContact O-N 2.88Å; Q157-V172 VanDerWaalsContact O-N 3.1Å; F159-V172 HydrophobicContact CB-CG2 4.42Å; V172-D174 PolarHBondContact O-N 3.27Å; V172-I175 WeakPolarHBondContact O-CB 3.4Å; V172-I175 PolarHBondContact O-N 3.23Å; V172-P190 HydrophobicContact CG1-CB 3.77Å; V172-P190 HydrophobicContact CG2-CB 4.29Å
173	R	87.1	Confident	88	Confident	130 Å²	130	41.7 Å²	41.7	49%	0.491	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-64.6	-22	176.5	72.4	-178	-175.4	-178.9	0.6	114.9	N65 L171	N65-R173 WeakPolarHBondContact O-CA 3.5Å; L171-R173 HydrophobicContact CB-CG 3.99Å; L171-R173 PolarHBondContact O-N 3.18Å; L171-R173 VanDerWaalsContact O-N 3.13Å
174	D	89.2	Confident	87.8	Confident	43 Å²	43	45.9 Å²	45.9	23%	0.23	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-94.6	-1.7	-174.1	-69.4	-40	0	0	0	112.9	R59 R163 L171 V172	R59-D174 IonicContact CZ-OD1 3.36Å; R59-D174 IonicContact NH1-OD1 3.08Å; R59-D174 VanDerWaalsContact NH2-CA 3.32Å; R59-D174 IonicContact NH2-OD1 2.71Å; R59-D174 PolarHBondContact NH2-OD1 2.91Å; R163-D174 PolarHBondContact NH2-O 2.89Å; R163-D174 VanDerWaalsContact NH2-O 3.17Å; L171-D174 HydrophobicContact CB-CB 4.43Å; L171-D174 WeakPolarHBondContact CB-OD2 3.45Å; L171-D174 WeakPolarHBondContact O-CA 3.28Å; L171-D174 WeakPolarHBondContact O-CB 3.46Å; L171-D174 PolarHBondContact O-N 2.99Å; V172-D174 PolarHBondContact O-N 3.27Å
175	I	91.5	Very high	87.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.			trans	-70.1	135.7	173	-61.8	172.4	0	0	0	109.4	N65 F159 V161 V170 V172 D179 P190 A191 V240	N65-I175 WeakPolarHBondContact CB-O 3.39Å; F159-I175 HydrophobicContact CB-CD1 3.86Å; F159-I175 HydrophobicContact CG-CD1 4.38Å; V161-I175 HydrophobicContact CG1-CG1 4.33Å; V170-I175 HydrophobicContact CG2-CG1 3.94Å; V172-I175 WeakPolarHBondContact O-CB 3.4Å; V172-I175 PolarHBondContact O-N 3.23Å; I175-D179 WeakPolarHBondContact CA-OD2 3.45Å; I175-D179 HydrophobicContact CG2-CB 4.37Å; I175-P190 HydrophobicContact CD1-CB 3.61Å; I175-P190 HydrophobicContact CD1-CG 3.51Å; I175-A191 HydrophobicContact CG2-CB 4.47Å; I175-V240 HydrophobicContact CG2-CG1 4.37Å; I175-V240 HydrophobicContact CG2-CG2 3.86Å
176	V	93.2	Very high	87.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.			trans	-125	161.9	179.9	-64	0	0	0	0	111.2	L49 I55 R58 R59 G178 D179	L49-V176 HydrophobicContact CD1-CG2 3.68Å; I55-V176 HydrophobicContact CG2-CG1 3.9Å; I55-V176 HydrophobicContact CG2-CG2 4.4Å; R58-V176 HydrophobicContact CB-CB 4.28Å; R59-V176 HydrophobicContact CG-CG1 3.68Å; V176-G178 PolarHBondContact O-N 3.11Å; V176-D179 WeakPolarHBondContact CG2-OD2 3.44Å; V176-D179 PolarHBondContact N-OD2 2.9Å; V176-D179 WeakPolarHBondContact O-CB 3.17Å; V176-D179 PolarHBondContact O-N 3.46Å; V176-D179 VanDerWaalsContact O-N 3.09Å
177	V	93.2	Very high	87.6	Confident	3 Å²	3	41 Å²	41	2%	0.018	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	132.3	173	175	0	0	0	0	109.7	L12 L41 R58 Y62 T241 V243	L12-V177 HydrophobicContact CD1-CG1 3.91Å; L41-V177 HydrophobicContact CD2-CG1 3.98Å; R58-V177 WeakPolarHBondContact CD-O 3.37Å; R58-V177 PolarHBondContact NH1-O 2.62Å; Y62-V177 HydrophobicContact CD1-CB 4.28Å; Y62-V177 HydrophobicContact CD1-CG1 4.15Å; Y62-V177 HydrophobicContact CD1-CG2 4.25Å; Y62-V177 HydrophobicContact CD2-CB 4.02Å; Y62-V177 HydrophobicContact CD2-CG1 4.38Å; Y62-V177 HydrophobicContact CE1-CG1 4.33Å; Y62-V177 HydrophobicContact CG-CB 3.85Å; Y62-V177 HydrophobicContact CG-CG1 4.19Å; Y62-V177 HydrophobicContact CG-CG2 3.91Å; V177-T241 WeakPolarHBondContact CG2-O 3.15Å; V177-V243 HydrophobicContact CG2-CG1 4.18Å; V177-V243 HydrophobicContact CG2-CG2 4.12Å
178	G	90.5	Very high	87.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-4.5	-174	0	0	0	0	0	115.5	T43 V176 V240	T43-G178 WeakPolarHBondContact CG2-O 3.47Å; T43-G178 PolarHBondContact OG1-O 2.87Å; V176-G178 PolarHBondContact O-N 3.11Å; G178-V240 PolarHBondContact N-O 3.01Å
179	D	92	Very high	88.1	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.165	C	C	.	.			trans	-62.5	144.8	166.1	-84	-39.1	0	0	0	110.4	L49 V161 R163 I175 V176 V240	L49-D179 WeakPolarHBondContact CD1-OD1 3.45Å; V161-D179 HydrophobicContact CG1-CB 4.4Å; R163-D179 IonicContact CZ-OD1 3.87Å; R163-D179 IonicContact CZ-OD2 3.92Å; R163-D179 IonicContact NE-OD1 2.95Å; R163-D179 PolarHBondContact NE-OD1 3.4Å; R163-D179 IonicContact NE-OD2 2.79Å; R163-D179 IonicContact NH2-OD1 3.79Å; R163-D179 PolarHBondContact NH2-OD1 3.08Å; R163-D179 IonicContact NH2-OD2 2.85Å; R163-D179 PolarHBondContact NH2-OD2 2.72Å; I175-D179 WeakPolarHBondContact CA-OD2 3.45Å; I175-D179 HydrophobicContact CG2-CB 4.37Å; V176-D179 WeakPolarHBondContact CG2-OD2 3.44Å; V176-D179 PolarHBondContact N-OD2 2.9Å; V176-D179 WeakPolarHBondContact O-CB 3.17Å; V176-D179 PolarHBondContact O-N 3.46Å; V176-D179 VanDerWaalsContact O-N 3.09Å; D179-V240 HydrophobicContact CB-CG2 4.23Å; D179-V240 WeakPolarHBondContact O-CG2 3.33Å; D179-V240 PolarHBondContact O-N 2.95Å
180	I	91.9	Very high	88.3	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	109.7	169.9	-63	-175.7	0	0	0	108.5	T43 S44 V45 V161 V162 I196 R237 V238	T43-I180 HydrophobicContact CG2-CD1 4.15Å; T43-I180 HydrophobicContact CG2-CG1 4.03Å; S44-I180 WeakPolarHBondContact O-CD1 3.05Å; V45-I180 VanDerWaalsContact O-CD1 3.27Å; V45-I180 WeakPolarHBondContact O-CD1 3.27Å; V161-I180 CarbonylContact C-O 3.54Å; V161-I180 VanDerWaalsContact CA-O 3.22Å; V161-I180 WeakPolarHBondContact CA-O 3.36Å; V162-I180 HydrophobicContact CB-CB 4.24Å; V162-I180 HydrophobicContact CB-CG2 4.42Å; V162-I180 HydrophobicContact CG2-CG2 4.31Å; V162-I180 PolarHBondContact N-O 3.03Å; I180-I196 HydrophobicContact CD1-CD1 3.83Å; I180-I196 HydrophobicContact CG1-CD1 4.11Å; I180-I196 HydrophobicContact CG2-CD1 4.25Å; I180-R237 HydrophobicContact CG2-CB 4.3Å; I180-V238 CarbonylContact C-O 3.56Å; I180-V238 WeakPolarHBondContact CA-O 3.49Å
181	C	91.8	Very high	88.6	Confident	6 Å²	6	30.7 Å²	30.7	4%	0.041	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.5	176.4	-72	0	0	0	0	110.4	F159 V238 V240	F159-C181 HydrophobicContact CD1-CB 4.2Å; F159-C181 HydrophobicContact CE1-CB 3.8Å; C181-V238 PolarHBondContact N-O 3.23Å; C181-V238 PolarHBondContact O-N 3.15Å; C181-V240 WeakPolarHBondContact SG-CG2 3.35Å
182	L	89	Confident	88.9	Confident	46 Å²	46	29.1 Å²	29.1	24%	0.241	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	107.8	171	-61.7	-178.5	0	0	0	108.6	C160 V162 A167 R237	C160-L182 HydrophobicContact CB-CB 4.26Å; C160-L182 PolarHBondContact O-N 3.3Å; V162-L182 HydrophobicContact CG2-CD1 3.79Å; V162-L182 HydrophobicContact CG2-CD2 3.74Å; V162-L182 HydrophobicContact CG2-CG 3.68Å; A167-L182 HydrophobicContact CB-CD1 3.99Å; L182-R237 HydrophobicContact CD2-CG 3.73Å
183	V	89.3	Confident	89.1	Confident	7 Å²	7	27.5 Å²	27.5	4%	0.042	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131.9	179.4	-106.2	0	0	0	0	110.5	F159 I189 V231 S235 G236 V238	F159-V183 HydrophobicContact CE1-CG1 4.46Å; F159-V183 HydrophobicContact CZ-CG1 3.83Å; V183-I189 HydrophobicContact CG1-CD1 3.29Å; V183-V231 HydrophobicContact CB-CG2 4.28Å; V183-V231 HydrophobicContact CG1-CG2 3.86Å; V183-S235 CarbonylContact O-C 3.47Å; V183-S235 WeakPolarHBondContact O-CA 3.3Å; V183-S235 WeakPolarHBondContact O-CB 3.18Å; V183-G236 VanDerWaalsContact CG2-O 3.31Å; V183-G236 WeakPolarHBondContact CG2-O 3.13Å; V183-G236 PolarHBondContact N-O 3.05Å; V183-G236 PolarHBondContact O-N 3.35Å; V183-V238 HydrophobicContact CG2-CB 4.27Å; V183-V238 HydrophobicContact CG2-CG2 3.46Å; V183-V238 VanDerWaalsContact CG2-CG2 3.46Å
184	K	83.9	Confident	89.4	Confident	115 Å²	115	21.3 Å²	21.3	50%	0.5	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	166.9	171.4	53.5	171.2	-175.1	-173.1	0	109.8	G186 D187 V231	K184-G186 PolarHBondContact O-N 2.88Å; K184-D187 WeakPolarHBondContact CE-OD1 3.22Å; K184-D187 WeakPolarHBondContact CE-OD2 3.4Å; K184-D187 VanDerWaalsContact CG-CG 3.47Å; K184-D187 WeakPolarHBondContact CG-OD2 3.38Å; K184-D187 PolarHBondContact N-OD2 3.25Å; K184-D187 VanDerWaalsContact N-OD2 3.14Å; K184-D187 IonicContact NZ-OD1 3.23Å; K184-D187 WeakPolarHBondContact O-CB 3.47Å; K184-D187 PolarHBondContact O-N 2.58Å; K184-V231 WeakPolarHBondContact O-CB 3.43Å; K184-V231 WeakPolarHBondContact O-CG1 3.34Å
185	Y	81.8	Confident	89.5	Confident	147 Å²	147	19.2 Å²	19.2	58%	0.576	9%	0.089	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	134.6	174	79.7	-86.3	0	0	0	111.7	G234	Y185-G234 PolarHBondContact N-O 3.1Å
186	G	75.2	Confident	89.3	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-0.3	178.2	0	0	0	0	0	117	K184 V231 T773 D774 V775	K184-G186 PolarHBondContact O-N 2.88Å; G186-V231 WeakPolarHBondContact CA-O 3.48Å; G186-V231 PolarHBondContact N-O 2.88Å; G186-T773 WeakPolarHBondContact O-CB 3.04Å; G186-D774 PolarHBondContact O-N 3.43Å; G186-V775 PolarHBondContact O-N 2.97Å
187	D	83.6	Confident	88.9	Confident	13 Å²	13	26.1 Å²	26.1	7%	0.07	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-76.7	145.7	174.4	-71	-8.2	0	0	0	111.4	F159 K184 V231	F159-D187 HydrophobicContact CE2-CB 3.9Å; F159-D187 HydrophobicContact CZ-CB 4.17Å; K184-D187 WeakPolarHBondContact CE-OD1 3.22Å; K184-D187 WeakPolarHBondContact CE-OD2 3.4Å; K184-D187 VanDerWaalsContact CG-CG 3.47Å; K184-D187 WeakPolarHBondContact CG-OD2 3.38Å; K184-D187 PolarHBondContact N-OD2 3.25Å; K184-D187 VanDerWaalsContact N-OD2 3.14Å; K184-D187 IonicContact NZ-OD1 3.23Å; K184-D187 WeakPolarHBondContact O-CB 3.47Å; K184-D187 PolarHBondContact O-N 2.58Å; D187-V231 HydrophobicContact CB-CG2 4.38Å; D187-V231 PolarHBondContact O-N 2.87Å
188	L	86.5	Confident	88.5	Confident	44 Å²	44	27.8 Å²	27.8	23%	0.23	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-87.3	126	165	172.7	70.5	0	0	0	108.4	F159 P190 H230 D774	F159-L188 VanDerWaalsContact CE2-O 3.3Å; F159-L188 WeakPolarHBondContact CE2-O 3.44Å; L188-P190 VanDerWaalsContact O-CD 3.3Å; L188-P190 WeakPolarHBondContact O-CD 3.33Å; L188-H230 VanDerWaalsContact CD1-CE1 3.42Å; L188-H230 WeakPolarHBondContact CD1-CE1 3.33Å; L188-H230 WeakPolarHBondContact CD1-ND1 3.07Å; L188-D774 HydrophobicContact CB-CB 3.91Å
189	I	91.3	Very high	88.1	Confident	5 Å²	5	33 Å²	33	3%	0.026	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-66	119.8	178.1	-56.8	-53.4	0	0	0	109.7	V183 A191 V225 L226 S227 G228 T229 V231	V183-I189 HydrophobicContact CG1-CD1 3.29Å; I189-A191 WeakPolarHBondContact CG2-O 3.48Å; I189-V225 HydrophobicContact CB-CG1 4.25Å; I189-V225 HydrophobicContact CD1-CG1 3.68Å; I189-V225 HydrophobicContact CG1-CG1 3.63Å; I189-V225 HydrophobicContact CG2-CG1 3.63Å; I189-L226 WeakPolarHBondContact CB-O 3.48Å; I189-L226 WeakPolarHBondContact CG2-O 3.47Å; I189-S227 WeakPolarHBondContact O-CA 3.41Å; I189-G228 PolarHBondContact O-N 2.75Å; I189-T229 WeakPolarHBondContact CG1-O 3.38Å; I189-T229 VanDerWaalsContact CG1-OG1 3.32Å; I189-T229 WeakPolarHBondContact CG1-OG1 3.34Å; I189-T229 PolarHBondContact N-O 3.47Å; I189-V231 HydrophobicContact CD1-CG2 3.68Å
190	P	90.2	Very high	87.5	Confident	13 Å²	13	39.1 Å²	39.1	8%	0.084	19%	0.193	C	C	.	.			trans	-82	-25.6	-173.9	31.4	-35.3	0	0	0	113.8	N65 F159 V172 I175 L188 S227	N65-P190 PolarHBondContact ND2-O 3.41Å; F159-P190 HydrophobicContact CB-CG 4.46Å; F159-P190 HydrophobicContact CD1-CG 4.01Å; F159-P190 HydrophobicContact CD2-CB 4.45Å; F159-P190 HydrophobicContact CD2-CG 3.88Å; F159-P190 HydrophobicContact CE1-CG 4.27Å; F159-P190 HydrophobicContact CE2-CG 4.11Å; F159-P190 HydrophobicContact CG-CG 3.83Å; F159-P190 HydrophobicContact CZ-CG 4.31Å; V172-P190 HydrophobicContact CG1-CB 3.77Å; V172-P190 HydrophobicContact CG2-CB 4.29Å; I175-P190 HydrophobicContact CD1-CB 3.61Å; I175-P190 HydrophobicContact CD1-CG 3.51Å; L188-P190 VanDerWaalsContact O-CD 3.3Å; L188-P190 WeakPolarHBondContact O-CD 3.33Å; P190-S227 PolarHBondContact O-OG 2.89Å
191	A	92.7	Very high	87.2	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.033	19%	0.194	C	C	.	.	S	Bend	trans	-152	156.4	-173.2	0	0	0	0	0	110	I175 I189 V240 V243	I175-A191 HydrophobicContact CG2-CB 4.47Å; I189-A191 WeakPolarHBondContact CG2-O 3.48Å; A191-V240 HydrophobicContact CB-CG1 3.68Å; A191-V240 HydrophobicContact CB-CG2 4.34Å; A191-V243 HydrophobicContact CB-CG1 3.99Å
192	D	93.8	Very high	86.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	143.1	176.2	-73.7	-1.6	0	0	0	109.6	M16 V225 L226 S227 T241 A242 S247 Q248	M16-D192 HydrophobicContact CE-CB 3.81Å; M16-D192 HydrophobicContact CG-CB 3.96Å; M16-D192 HydrophobicContact SD-CB 4.17Å; D192-V225 WeakPolarHBondContact CA-O 3.48Å; D192-L226 WeakPolarHBondContact OD1-CA 3.42Å; D192-S227 VanDerWaalsContact OD1-CB 3.24Å; D192-S227 WeakPolarHBondContact OD1-CB 3.17Å; D192-S227 PolarHBondContact OD1-N 3.43Å; D192-T241 PolarHBondContact O-N 2.77Å; D192-T241 PolarHBondContact O-OG1 2.63Å; D192-A242 HydrophobicContact CB-CB 4.07Å; D192-A242 PolarHBondContact N-O 2.8Å; D192-A242 PolarHBondContact O-N 3.28Å; D192-S247 WeakPolarHBondContact OD2-CA 3.35Å; D192-S247 WeakPolarHBondContact OD2-CB 3.31Å; D192-Q248 PolarHBondContact OD2-N 2.77Å
193	G	93.3	Very high	86.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	175.6	-177.7	0	0	0	0	0	115.2	V225 V239 T241	G193-V225 PolarHBondContact N-O 3.27Å; G193-V225 PolarHBondContact O-N 3.38Å; G193-V239 CarbonylContact C-O 3.56Å; G193-V239 WeakPolarHBondContact CA-O 3.46Å; G193-T241 WeakPolarHBondContact CA-OG1 3.36Å
194	V	93.1	Very high	86.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.6	-179.4	176.1	0	0	0	0	109.6	L15 I27 V34 L37 I196 V223 M224 V238 V239 T241	L15-V194 HydrophobicContact CD2-CG2 4.47Å; I27-V194 HydrophobicContact CD1-CB 4.49Å; I27-V194 HydrophobicContact CD1-CG1 3.65Å; I27-V194 HydrophobicContact CD1-CG2 3.92Å; V34-V194 HydrophobicContact CG1-CG1 4.24Å; V34-V194 HydrophobicContact CG2-CG1 4Å; L37-V194 HydrophobicContact CD2-CB 4.23Å; L37-V194 HydrophobicContact CD2-CG2 3.97Å; V194-I196 PolarHBondContact O-N 2.88Å; V194-V223 CarbonylContact C-O 3.56Å; V194-V223 WeakPolarHBondContact CA-O 3.33Å; V194-V223 HydrophobicContact CG1-CB 4.25Å; V194-V223 HydrophobicContact CG1-CG2 4.34Å; V194-M224 HydrophobicContact CG2-SD 3.84Å; V194-V238 CarbonylContact O-C 3.56Å; V194-V238 WeakPolarHBondContact O-CA 3.4Å; V194-V239 HydrophobicContact CB-CG1 4Å; V194-V239 PolarHBondContact N-O 3.26Å; V194-V239 WeakPolarHBondContact O-CG1 3.42Å; V194-V239 PolarHBondContact O-N 3.36Å; V194-T241 HydrophobicContact CG2-CG2 3.8Å
195	I	91	Very high	86.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	125.1	178.4	-66.9	160.7	0	0	0	110.2	C198 L201 K217 V223 V225 V238	I195-C198 HydrophobicContact CG2-CB 3.79Å; I195-L201 HydrophobicContact CD1-CD2 3.75Å; I195-L201 HydrophobicContact CG1-CD2 4.24Å; I195-K217 HydrophobicContact CD1-CB 3.42Å; I195-K217 VanDerWaalsContact CD1-CB 3.42Å; I195-K217 HydrophobicContact CD1-CD 4.48Å; I195-K217 HydrophobicContact CD1-CG 4.04Å; I195-V223 WeakPolarHBondContact CG1-O 3.39Å; I195-V223 PolarHBondContact N-O 2.79Å; I195-V225 HydrophobicContact CD1-CG2 3.59Å; I195-V225 HydrophobicContact CG1-CG2 3.47Å; I195-V225 VanDerWaalsContact CG1-CG2 3.47Å; I195-V238 HydrophobicContact CG1-CG2 3.9Å
196	I	88.2	Confident	85.7	Confident	26 Å²	26	29.8 Å²	29.8	13%	0.133	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-52.3	168.3	-58.1	173.4	0	0	0	109.2	V34 V45 I180 V194 R237 V239	V34-I196 HydrophobicContact CG1-CG1 4.08Å; V45-I196 HydrophobicContact CG1-CD1 4.42Å; V45-I196 HydrophobicContact CG1-CG2 3.44Å; V45-I196 VanDerWaalsContact CG1-CG2 3.44Å; I180-I196 HydrophobicContact CD1-CD1 3.83Å; I180-I196 HydrophobicContact CG1-CD1 4.11Å; I180-I196 HydrophobicContact CG2-CD1 4.25Å; V194-I196 PolarHBondContact O-N 2.88Å; I196-R237 HydrophobicContact CB-CB 4.22Å; I196-R237 PolarHBondContact N-O 2.89Å; I196-V239 HydrophobicContact CD1-CB 4.17Å; I196-V239 HydrophobicContact CG1-CB 4.33Å; I196-V239 HydrophobicContact CG1-CG1 4.39Å
197	Q	85.8	Confident	85.4	Confident	119 Å²	119	33.2 Å²	33.2	56%	0.556	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-146.2	138.6	-175.6	-174.1	-177.3	8.9	0	0	109.1	G236 R237	Q197-G236 CarbonylContact O-C 3.6Å; Q197-G236 WeakPolarHBondContact O-CA 3.49Å; Q197-R237 PolarHBondContact N-O 2.97Å; Q197-R237 PolarHBondContact O-N 3.34Å
198	C	83	Confident	84.9	Confident	37 Å²	37	34.5 Å²	34.5	25%	0.25	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155	175.7	61.3	0	0	0	0	111.9	I195 L201 S235	I195-C198 HydrophobicContact CG2-CB 3.79Å; C198-L201 HydrophobicContact CB-CB 3.78Å; C198-L201 HydrophobicContact CB-CD2 4.18Å; C198-S235 CarbonylContact C-O 3.43Å; C198-S235 WeakPolarHBondContact CA-O 3.34Å
199	N	82	Confident	84.3	Confident	109 Å²	109	34.7 Å²	34.7	58%	0.583	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	108.1	172.9	-171.8	13.1	0	0	0	108.4	L201 G234 S235	N199-L201 PolarHBondContact O-N 2.91Å; N199-L201 VanDerWaalsContact O-N 3.1Å; N199-G234 WeakPolarHBondContact O-CA 3.43Å; N199-S235 PolarHBondContact N-O 3.4Å; N199-S235 PolarHBondContact O-N 2.85Å; N199-S235 VanDerWaalsContact O-N 3.08Å
200	D	81.1	Confident	82.8	Confident	129 Å²	129	36.8 Å²	36.8	69%	0.69	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	46.4	37.3	-177.5	-74.4	-27.3	0	0	0	115	K202 E233 G234	D200-K202 PolarHBondContact O-N 2.94Å; D200-E233 CarbonylContact O-C 3.53Å; D200-G234 WeakPolarHBondContact O-CA 3.21Å
201	L	83.7	Confident	81.7	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	121.7	-175.6	-173.7	69.3	0	0	0	111.1	I195 C198 N199 L203 K217 V231 E233	I195-L201 HydrophobicContact CD1-CD2 3.75Å; I195-L201 HydrophobicContact CG1-CD2 4.24Å; C198-L201 HydrophobicContact CB-CB 3.78Å; C198-L201 HydrophobicContact CB-CD2 4.18Å; N199-L201 PolarHBondContact O-N 2.91Å; N199-L201 VanDerWaalsContact O-N 3.1Å; L201-L203 HydrophobicContact CD1-CD2 4.28Å; L201-L203 HydrophobicContact CG-CD2 4.36Å; L201-K217 HydrophobicContact CB-CB 4.32Å; L201-K217 HydrophobicContact CD2-CB 4.11Å; L201-K217 HydrophobicContact CD2-CG 4.48Å; L201-K217 HydrophobicContact CG-CB 4.29Å; L201-K217 PolarHBondContact O-N 3.41Å; L201-V231 HydrophobicContact CD1-CG1 3.53Å; L201-E233 WeakPolarHBondContact CA-O 3.41Å
202	K	84.7	Confident	80.4	Confident	40 Å²	40	46.8 Å²	46.8	17%	0.174	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.7	174.3	-58.7	-177.2	-168.4	155.4	0	110.4	D200 M214 V215 R216 M232 E233	D200-K202 PolarHBondContact O-N 2.94Å; K202-M214 HydrophobicContact CB-CB 4.43Å; K202-V215 WeakPolarHBondContact CA-O 3.4Å; K202-R216 HydrophobicContact CD-CG 4.36Å; K202-R216 HydrophobicContact CG-CG 4.14Å; K202-M232 PolarHBondContact O-N 3.32Å; K202-E233 HydrophobicContact CB-CB 4.26Å; K202-E233 HydrophobicContact CD-CB 4.35Å; K202-E233 WeakPolarHBondContact CD-OE2 3.31Å; K202-E233 WeakPolarHBondContact CE-OE2 3.48Å; K202-E233 HydrophobicContact CG-CB 4.42Å; K202-E233 PolarHBondContact N-O 3.06Å; K202-E233 IonicContact NZ-OE2 2.68Å; K202-E233 PolarHBondContact NZ-OE2 3.3Å; K202-E233 PolarHBondContact O-N 3.01Å
203	L	86	Confident	79.3	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146.4	179.9	-55.9	-176.8	0	0	0	111.2	L201 E205 M214 V215 K217 V225 H230 V231	L201-L203 HydrophobicContact CD1-CD2 4.28Å; L201-L203 HydrophobicContact CG-CD2 4.36Å; L203-E205 HydrophobicContact CB-CG 4.47Å; L203-M214 CarbonylContact O-C 3.43Å; L203-M214 WeakPolarHBondContact O-CA 3.49Å; L203-V215 PolarHBondContact N-O 2.86Å; L203-V215 PolarHBondContact O-N 3.27Å; L203-K217 HydrophobicContact CD1-CD 4.43Å; L203-K217 HydrophobicContact CD1-CG 4.02Å; L203-K217 HydrophobicContact CG-CG 4Å; L203-V225 HydrophobicContact CD1-CB 4.33Å; L203-V225 HydrophobicContact CD1-CG1 3.81Å; L203-V225 HydrophobicContact CD1-CG2 4.12Å; L203-H230 CarbonylContact C-O 3.55Å; L203-H230 VanDerWaalsContact CA-O 3.27Å; L203-H230 WeakPolarHBondContact CA-O 3.46Å; L203-V231 HydrophobicContact CD2-CB 4.04Å; L203-V231 HydrophobicContact CD2-CG1 4.21Å; L203-V231 HydrophobicContact CD2-CG2 3.64Å
204	D	80.4	Confident	78.7	Confident	33 Å²	33	57.6 Å²	57.6	18%	0.176	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	113.1	163.2	178.9	2.2	0	0	0	108.6	S206 T229 H230 M232	D204-S206 WeakPolarHBondContact OD1-CB 3.47Å; D204-S206 PolarHBondContact OD1-N 3.07Å; D204-S206 PolarHBondContact OD1-OG 2.99Å; D204-S206 PolarHBondContact OD2-OG 3.24Å; D204-T229 WeakPolarHBondContact O-CB 3.34Å; D204-H230 HydrophobicContact CB-CB 4.46Å; D204-H230 PolarHBondContact N-O 3.31Å; D204-H230 PolarHBondContact O-N 2.89Å; D204-M232 HydrophobicContact CB-CG 3.69Å; D204-M232 HydrophobicContact CB-SD 4.05Å
205	E	83	Confident	78.3	Confident	7 Å²	7	59.6 Å²	59.6	3%	0.033	34%	0.341	C	S	.	.			trans	-101.1	9.6	179.8	-57.5	-164	171.9	0	0	113.4	R19 L203 S207 L208 T209 V215 K217 T229	R19-E205 IonicContact NH1-OE2 3.96Å; R19-E205 PolarHBondContact NH1-OE2 3.48Å; R19-E205 VanDerWaalsContact NH1-OE2 3.08Å; L203-E205 HydrophobicContact CB-CG 4.47Å; E205-S207 PolarHBondContact O-N 2.94Å; E205-L208 PolarHBondContact O-N 3.42Å; E205-T209 HydrophobicContact CB-CG2 4.09Å; E205-T209 PolarHBondContact O-N 2.68Å; E205-T209 PolarHBondContact O-OG1 3.34Å; E205-V215 HydrophobicContact CG-CB 4.45Å; E205-V215 HydrophobicContact CG-CG2 4.06Å; E205-K217 WeakPolarHBondContact OE1-CE 3.4Å; E205-K217 IonicContact OE1-NZ 3.61Å; E205-K217 PolarHBondContact OE1-NZ 3.13Å; E205-T229 HydrophobicContact CB-CG2 4.28Å; E205-T229 HydrophobicContact CG-CG2 4.05Å
206	S	72.1	Confident	78	Confident	44 Å²	44	68 Å²	68	31%	0.308	37%	0.372	S	S	.	.	H	α-helix	trans	-57.4	-26.9	-175	61	0	0	0	0	114.1	D204 L208 G210 E211	D204-S206 WeakPolarHBondContact OD1-CB 3.47Å; D204-S206 PolarHBondContact OD1-N 3.07Å; D204-S206 PolarHBondContact OD1-OG 2.99Å; D204-S206 PolarHBondContact OD2-OG 3.24Å; S206-L208 PolarHBondContact O-N 3.17Å; S206-G210 VanDerWaalsContact O-CA 3.25Å; S206-G210 WeakPolarHBondContact O-CA 3.31Å; S206-G210 PolarHBondContact O-N 3.19Å; S206-E211 WeakPolarHBondContact CA-O 3.44Å; S206-E211 VanDerWaalsContact CB-O 3.25Å; S206-E211 WeakPolarHBondContact CB-O 3.45Å; S206-E211 PolarHBondContact N-O 3.28Å
207	S	67.2	Low	77.9	Confident	73 Å²	73	67.3 Å²	67.3	51%	0.51	37%	0.368	S	S	.	.	H	α-helix	trans	-64.1	-27.5	175.8	56.8	0	0	0	0	113.4	E205 G228	E205-S207 PolarHBondContact O-N 2.94Å; S207-G228 PolarHBondContact OG-O 2.9Å
208	L	74	Confident	77.6	Confident	39 Å²	39	62.1 Å²	62.1	20%	0.204	35%	0.347	C	S	.	.	H	α-helix	trans	-111.1	-38.1	-176.4	-71.2	173.8	0	0	0	113.2	E205 S206 L226 T229 I252	E205-L208 PolarHBondContact O-N 3.42Å; S206-L208 PolarHBondContact O-N 3.17Å; L208-L226 HydrophobicContact CD1-CB 3.54Å; L208-L226 HydrophobicContact CD1-CD1 3.77Å; L208-L226 HydrophobicContact CD1-CG 4.27Å; L208-T229 HydrophobicContact CD1-CG2 3.91Å; L208-I252 HydrophobicContact CD2-CD1 3.56Å
209	T	73.4	Confident	77.3	Confident	48 Å²	48	64.8 Å²	64.8	29%	0.294	36%	0.362	S	S	.	.	H	α-helix	trans	-95	-25.6	-177.4	61.6	0	0	0	0	112.8	E205 E211	E205-T209 HydrophobicContact CB-CG2 4.09Å; E205-T209 PolarHBondContact O-N 2.68Å; E205-T209 PolarHBondContact O-OG1 3.34Å; T209-E211 PolarHBondContact O-N 3Å; T209-E211 PolarHBondContact OG1-N 3.35Å
210	G	59.7	Low	76.9	Confident	50 Å²	50	62.5 Å²	62.5	52%	0.515	36%	0.364	S	S	.	.			trans	77	-5.5	-166.1	0	0	0	0	0	114.1	S206	S206-G210 VanDerWaalsContact O-CA 3.25Å; S206-G210 WeakPolarHBondContact O-CA 3.31Å; S206-G210 PolarHBondContact O-N 3.19Å
211	E	68	Low	76.8	Confident	129 Å²	129	61.4 Å²	61.4	60%	0.603	36%	0.358	S	S	*	.			trans	-84.3	125.5	177.1	-62.8	-178	168.5	0	0	109.5	S206 T209 D213	S206-E211 WeakPolarHBondContact CA-O 3.44Å; S206-E211 VanDerWaalsContact CB-O 3.25Å; S206-E211 WeakPolarHBondContact CB-O 3.45Å; S206-E211 PolarHBondContact N-O 3.28Å; T209-E211 PolarHBondContact O-N 3Å; T209-E211 PolarHBondContact OG1-N 3.35Å; E211-D213 VanDerWaalsContact C-N 3.27Å; E211-D213 PolarHBondContact O-N 3.22Å
212	S	64.8	Low	77	Confident	98 Å²	98	62 Å²	62	69%	0.685	36%	0.361	S	S	*	.			trans	-84.7	-1.1	-175.6	-47	0	0	0	0	113.7
213	D	71.5	Confident	77.2	Confident	129 Å²	129	60.3 Å²	60.3	69%	0.69	35%	0.354	S	S	*	.	S	Bend	trans	-79.3	141.2	-176.9	-70.9	-25.5	0	0	0	111	E211 V215	E211-D213 VanDerWaalsContact C-N 3.27Å; E211-D213 PolarHBondContact O-N 3.22Å; D213-V215 PolarHBondContact O-N 2.89Å
214	M	79.7	Confident	77.4	Confident	97 Å²	97	60.5 Å²	60.5	48%	0.478	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	120.2	177.6	-65.9	178.7	-73.8	0	0	110.5	K202 L203 M232	K202-M214 HydrophobicContact CB-CB 4.43Å; L203-M214 CarbonylContact O-C 3.43Å; L203-M214 WeakPolarHBondContact O-CA 3.49Å; M214-M232 HydrophobicContact CG-CB 4.46Å; M214-M232 HydrophobicContact CG-CG 4.37Å; M214-M232 HydrophobicContact SD-CB 4Å; M214-M232 HydrophobicContact SD-CG 4.43Å
215	V	84.6	Confident	78	Confident	43 Å²	43	59 Å²	59	26%	0.261	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.4	178.5	-176.3	0	0	0	0	109.4	K202 L203 E205 D213 K217	K202-V215 WeakPolarHBondContact CA-O 3.4Å; L203-V215 PolarHBondContact N-O 2.86Å; L203-V215 PolarHBondContact O-N 3.27Å; E205-V215 HydrophobicContact CG-CB 4.45Å; E205-V215 HydrophobicContact CG-CG2 4.06Å; D213-V215 PolarHBondContact O-N 2.89Å; V215-K217 HydrophobicContact CG1-CD 4.32Å
216	R	86.1	Confident	78.4	Confident	175 Å²	175	59 Å²	59	66%	0.66	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	129.7	174.3	-65.6	-172.4	-177	-165.6	1.2	109.9	K202	K202-R216 HydrophobicContact CD-CG 4.36Å; K202-R216 HydrophobicContact CG-CG 4.14Å
217	K	85.7	Confident	79.2	Confident	12 Å²	12	57.6 Å²	57.6	5%	0.052	34%	0.337	C	S	.	.			trans	-106.6	149.4	177.6	-57.9	-62.7	-178.7	168.4	0	111.1	I195 L201 L203 E205 V215 D222 M224	I195-K217 HydrophobicContact CD1-CB 3.42Å; I195-K217 VanDerWaalsContact CD1-CB 3.42Å; I195-K217 HydrophobicContact CD1-CD 4.48Å; I195-K217 HydrophobicContact CD1-CG 4.04Å; L201-K217 HydrophobicContact CB-CB 4.32Å; L201-K217 HydrophobicContact CD2-CB 4.11Å; L201-K217 HydrophobicContact CD2-CG 4.48Å; L201-K217 HydrophobicContact CG-CB 4.29Å; L201-K217 PolarHBondContact O-N 3.41Å; L203-K217 HydrophobicContact CD1-CD 4.43Å; L203-K217 HydrophobicContact CD1-CG 4.02Å; L203-K217 HydrophobicContact CG-CG 4Å; E205-K217 WeakPolarHBondContact OE1-CE 3.4Å; E205-K217 IonicContact OE1-NZ 3.61Å; E205-K217 PolarHBondContact OE1-NZ 3.13Å; V215-K217 HydrophobicContact CG1-CD 4.32Å; K217-D222 WeakPolarHBondContact CA-O 3.44Å; K217-D222 HydrophobicContact CD-CB 3.97Å; K217-D222 WeakPolarHBondContact CD-O 3.29Å; K217-D222 VanDerWaalsContact NZ-CG 3.32Å; K217-D222 IonicContact NZ-OD1 2.89Å; K217-D222 IonicContact NZ-OD2 3.25Å; K217-D222 PolarHBondContact NZ-OD2 2.95Å; K217-M224 VanDerWaalsContact CE-O 3.29Å; K217-M224 WeakPolarHBondContact CE-O 3.41Å; K217-M224 PolarHBondContact NZ-O 3.23Å
218	G	79.6	Confident	80	Confident	10 Å²	10	55.1 Å²	55.1	10%	0.103	32%	0.324	C	S	.	.			trans	179.8	153.2	-175.1	0	0	0	0	0	112.2	G220 L221 D222 V223	G218-G220 PolarHBondContact O-N 3.13Å; G218-G220 VanDerWaalsContact O-N 3.13Å; G218-L221 PolarHBondContact O-N 2.67Å; G218-L221 VanDerWaalsContact O-N 3.07Å; G218-D222 PolarHBondContact N-O 3.1Å; G218-D222 CarbonylContact O-C 3.58Å; G218-D222 PolarHBondContact O-N 3.08Å; G218-V223 WeakPolarHBondContact O-CG1 3.45Å
219	T	75.7	Confident	80.7	Confident	94 Å²	94	53.3 Å²	53.3	58%	0.577	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.4	-178.6	49.7	0	0	0	0	114
220	G	73.8	Confident	81.1	Confident	61 Å²	61	52.2 Å²	52.2	63%	0.629	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	7.8	175.9	0	0	0	0	0	115.6	G218	G218-G220 PolarHBondContact O-N 3.13Å; G218-G220 VanDerWaalsContact O-N 3.13Å
221	L	79.9	Confident	82.4	Confident	106 Å²	106	49.9 Å²	49.9	56%	0.555	28%	0.281	S	S	*	.	S	Bend	trans	-121.1	-79	-176.5	-74.9	165.5	0	0	0	110.3	G20 I21 G218	G20-L221 CarbonylContact C-O 3.55Å; I21-L221 PolarHBondContact N-O 3.33Å; G218-L221 PolarHBondContact O-N 2.67Å; G218-L221 VanDerWaalsContact O-N 3.07Å
222	D	86.5	Confident	82.9	Confident	14 Å²	14	46.1 Å²	46.1	8%	0.075	26%	0.264	C	S	.	.			trans	-142.1	116.6	178.3	-171.8	2.8	0	0	0	107.9	G20 K217 G218 M224	G20-D222 PolarHBondContact N-OD1 2.6Å; K217-D222 WeakPolarHBondContact CA-O 3.44Å; K217-D222 HydrophobicContact CD-CB 3.97Å; K217-D222 WeakPolarHBondContact CD-O 3.29Å; K217-D222 VanDerWaalsContact NZ-CG 3.32Å; K217-D222 IonicContact NZ-OD1 2.89Å; K217-D222 IonicContact NZ-OD2 3.25Å; K217-D222 PolarHBondContact NZ-OD2 2.95Å; G218-D222 PolarHBondContact N-O 3.1Å; G218-D222 CarbonylContact O-C 3.58Å; G218-D222 PolarHBondContact O-N 3.08Å; D222-M224 PolarHBondContact OD1-N 2.73Å; D222-M224 VanDerWaalsContact OD1-N 3.16Å
223	V	89.8	Confident	83.6	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.024	25%	0.251	C	S	.	.			trans	-96.9	-10	-177	-69.9	0	0	0	0	112.5	V24 I27 V194 I195 G218	V24-V223 HydrophobicContact CG2-CB 4.46Å; V24-V223 HydrophobicContact CG2-CG1 3.97Å; V24-V223 HydrophobicContact CG2-CG2 3.81Å; I27-V223 HydrophobicContact CD1-CG2 3.57Å; V194-V223 CarbonylContact C-O 3.56Å; V194-V223 WeakPolarHBondContact CA-O 3.33Å; V194-V223 HydrophobicContact CG1-CB 4.25Å; V194-V223 HydrophobicContact CG1-CG2 4.34Å; I195-V223 WeakPolarHBondContact CG1-O 3.39Å; I195-V223 PolarHBondContact N-O 2.79Å; G218-V223 WeakPolarHBondContact O-CG1 3.45Å
224	M	90.5	Very high	83.8	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.02	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	136.3	-174.5	-57.7	-57.1	-176.8	0	0	110.9	L15 M16 I27 V194 K217 D222	L15-M224 HydrophobicContact CD1-CE 3.9Å; L15-M224 HydrophobicContact CG-CE 4.01Å; L15-M224 WeakPolarHBondContact O-CE 3.36Å; M16-M224 HydrophobicContact CE-CB 4.16Å; M16-M224 HydrophobicContact CE-SD 4.21Å; M16-M224 HydrophobicContact SD-SD 4.05Å; I27-M224 HydrophobicContact CD1-CE 3.62Å; I27-M224 HydrophobicContact CD1-SD 4.33Å; I27-M224 HydrophobicContact CG1-CE 4.23Å; V194-M224 HydrophobicContact CG2-SD 3.84Å; K217-M224 VanDerWaalsContact CE-O 3.29Å; K217-M224 WeakPolarHBondContact CE-O 3.41Å; K217-M224 PolarHBondContact NZ-O 3.23Å; D222-M224 PolarHBondContact OD1-N 2.73Å; D222-M224 VanDerWaalsContact OD1-N 3.16Å
225	V	91.5	Very high	84.1	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.9	176.8	-179.6	0	0	0	0	107.7	I189 D192 G193 I195 L203 V238	I189-V225 HydrophobicContact CB-CG1 4.25Å; I189-V225 HydrophobicContact CD1-CG1 3.68Å; I189-V225 HydrophobicContact CG1-CG1 3.63Å; I189-V225 HydrophobicContact CG2-CG1 3.63Å; D192-V225 WeakPolarHBondContact CA-O 3.48Å; G193-V225 PolarHBondContact N-O 3.27Å; G193-V225 PolarHBondContact O-N 3.38Å; I195-V225 HydrophobicContact CD1-CG2 3.59Å; I195-V225 HydrophobicContact CG1-CG2 3.47Å; I195-V225 VanDerWaalsContact CG1-CG2 3.47Å; L203-V225 HydrophobicContact CD1-CB 4.33Å; L203-V225 HydrophobicContact CD1-CG1 3.81Å; L203-V225 HydrophobicContact CD1-CG2 4.12Å; V225-V238 HydrophobicContact CB-CG1 4.26Å; V225-V238 HydrophobicContact CB-CG2 4.5Å; V225-V238 HydrophobicContact CG2-CG1 4.44Å; V225-V238 HydrophobicContact CG2-CG2 3.98Å
226	L	91.4	Very high	84.1	Confident	8 Å²	8	37.1 Å²	37.1	4%	0.042	22%	0.219	C	C	.	.			trans	-106.7	135.4	-171.6	-55.9	175.8	0	0	0	110.9	M16 I189 D192 L208 T229 Q248	M16-L226 HydrophobicContact CE-CD2 3.68Å; I189-L226 WeakPolarHBondContact CB-O 3.48Å; I189-L226 WeakPolarHBondContact CG2-O 3.47Å; D192-L226 WeakPolarHBondContact OD1-CA 3.42Å; L208-L226 HydrophobicContact CD1-CB 3.54Å; L208-L226 HydrophobicContact CD1-CD1 3.77Å; L208-L226 HydrophobicContact CD1-CG 4.27Å; L226-T229 HydrophobicContact CB-CG2 3.82Å; L226-T229 WeakPolarHBondContact O-CB 3.41Å; L226-T229 WeakPolarHBondContact O-CG2 3.49Å; L226-T229 PolarHBondContact O-N 2.87Å; L226-T229 PolarHBondContact O-OG1 3.49Å; L226-Q248 HydrophobicContact CD2-CG 4.12Å
227	S	90.5	Very high	84.2	Confident	14 Å²	14	32.7 Å²	32.7	10%	0.098	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	136	172.3	-177.2	0	0	0	0	109.9	I189 P190 D192 S249	I189-S227 WeakPolarHBondContact O-CA 3.41Å; P190-S227 PolarHBondContact O-OG 2.89Å; D192-S227 VanDerWaalsContact OD1-CB 3.24Å; D192-S227 WeakPolarHBondContact OD1-CB 3.17Å; D192-S227 PolarHBondContact OD1-N 3.43Å; S227-S249 PolarHBondContact O-OG 3.03Å
228	G	83.6	Confident	84.5	Confident	22 Å²	22	32.4 Å²	32.4	23%	0.227	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	1.4	-176.5	0	0	0	0	0	114.8	I189 S207	I189-G228 PolarHBondContact O-N 2.75Å; S207-G228 PolarHBondContact OG-O 2.9Å
229	T	87.6	Confident	85.2	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.197	C	C	.	.			trans	-95.3	160.9	173	66	0	0	0	0	111.5	I189 D204 E205 L208 L226	I189-T229 WeakPolarHBondContact CG1-O 3.38Å; I189-T229 VanDerWaalsContact CG1-OG1 3.32Å; I189-T229 WeakPolarHBondContact CG1-OG1 3.34Å; I189-T229 PolarHBondContact N-O 3.47Å; D204-T229 WeakPolarHBondContact O-CB 3.34Å; E205-T229 HydrophobicContact CB-CG2 4.28Å; E205-T229 HydrophobicContact CG-CG2 4.05Å; L208-T229 HydrophobicContact CD1-CG2 3.91Å; L226-T229 HydrophobicContact CB-CG2 3.82Å; L226-T229 WeakPolarHBondContact O-CB 3.41Å; L226-T229 WeakPolarHBondContact O-CG2 3.49Å; L226-T229 PolarHBondContact O-N 2.87Å; L226-T229 PolarHBondContact O-OG1 3.49Å
230	H	83.8	Confident	86.1	Confident	26 Å²	26	27.5 Å²	27.5	12%	0.12	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.4	-176.9	-64	-57.2	0	0	0	112.1	L188 L203 D204 M232 V775 E778	L188-H230 VanDerWaalsContact CD1-CE1 3.42Å; L188-H230 WeakPolarHBondContact CD1-CE1 3.33Å; L188-H230 WeakPolarHBondContact CD1-ND1 3.07Å; L203-H230 CarbonylContact C-O 3.55Å; L203-H230 VanDerWaalsContact CA-O 3.27Å; L203-H230 WeakPolarHBondContact CA-O 3.46Å; D204-H230 HydrophobicContact CB-CB 4.46Å; D204-H230 PolarHBondContact N-O 3.31Å; D204-H230 PolarHBondContact O-N 2.89Å; H230-M232 HydrophobicContact CB-SD 4.37Å; H230-M232 PolarHBondContact O-N 3.46Å; H230-V775 HydrophobicContact CB-CG2 3.78Å; H230-E778 IonicContact CE1-OE2 3.65Å; H230-E778 PolarHBondContact CE1-OE2 3.07Å; H230-E778 IonicContact NE2-OE2 3.39Å
231	V	85.5	Confident	87	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	115.7	171.4	-170.1	0	0	0	0	109.5	V183 K184 G186 D187 I189 L201 L203	V183-V231 HydrophobicContact CB-CG2 4.28Å; V183-V231 HydrophobicContact CG1-CG2 3.86Å; K184-V231 WeakPolarHBondContact O-CB 3.43Å; K184-V231 WeakPolarHBondContact O-CG1 3.34Å; G186-V231 WeakPolarHBondContact CA-O 3.48Å; G186-V231 PolarHBondContact N-O 2.88Å; D187-V231 HydrophobicContact CB-CG2 4.38Å; D187-V231 PolarHBondContact O-N 2.87Å; I189-V231 HydrophobicContact CD1-CG2 3.68Å; L201-V231 HydrophobicContact CD1-CG1 3.53Å; L203-V231 HydrophobicContact CD2-CB 4.04Å; L203-V231 HydrophobicContact CD2-CG1 4.21Å; L203-V231 HydrophobicContact CD2-CG2 3.64Å
232	M	78.7	Confident	87.6	Confident	50 Å²	50	19.8 Å²	19.8	25%	0.246	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-40.8	-179.9	-62.2	-54.7	-71.4	0	0	111.9	K202 D204 M214 H230	K202-M232 PolarHBondContact O-N 3.32Å; D204-M232 HydrophobicContact CB-CG 3.69Å; D204-M232 HydrophobicContact CB-SD 4.05Å; M214-M232 HydrophobicContact CG-CB 4.46Å; M214-M232 HydrophobicContact CG-CG 4.37Å; M214-M232 HydrophobicContact SD-CB 4Å; M214-M232 HydrophobicContact SD-CG 4.43Å; H230-M232 HydrophobicContact CB-SD 4.37Å; H230-M232 PolarHBondContact O-N 3.46Å
233	E	79.5	Confident	88	Confident	87 Å²	87	19.2 Å²	19.2	41%	0.407	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.2	179.6	-63.9	-178.7	176.6	0	0	110.6	D200 L201 K202	D200-E233 CarbonylContact O-C 3.53Å; L201-E233 WeakPolarHBondContact CA-O 3.41Å; K202-E233 HydrophobicContact CB-CB 4.26Å; K202-E233 HydrophobicContact CD-CB 4.35Å; K202-E233 WeakPolarHBondContact CD-OE2 3.31Å; K202-E233 WeakPolarHBondContact CE-OE2 3.48Å; K202-E233 HydrophobicContact CG-CB 4.42Å; K202-E233 PolarHBondContact N-O 3.06Å; K202-E233 IonicContact NZ-OE2 2.68Å; K202-E233 PolarHBondContact NZ-OE2 3.3Å; K202-E233 PolarHBondContact O-N 3.01Å
234	G	76.3	Confident	87.9	Confident	26 Å²	26	19 Å²	19	27%	0.268	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	83.9	-168.8	174	0	0	0	0	0	115.3	Y185 N199 D200	Y185-G234 PolarHBondContact N-O 3.1Å; N199-G234 WeakPolarHBondContact O-CA 3.43Å; D200-G234 WeakPolarHBondContact O-CA 3.21Å
235	S	85.2	Confident	87.7	Confident	54 Å²	54	21.9 Å²	21.9	38%	0.378	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	158.1	177.5	59.3	0	0	0	0	110.7	V183 C198 N199	V183-S235 CarbonylContact O-C 3.47Å; V183-S235 WeakPolarHBondContact O-CA 3.3Å; V183-S235 WeakPolarHBondContact O-CB 3.18Å; C198-S235 CarbonylContact C-O 3.43Å; C198-S235 WeakPolarHBondContact CA-O 3.34Å; N199-S235 PolarHBondContact N-O 3.4Å; N199-S235 PolarHBondContact O-N 2.85Å; N199-S235 VanDerWaalsContact O-N 3.08Å
236	G	84.6	Confident	87.7	Confident	11 Å²	11	23.9 Å²	23.9	11%	0.113	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	177.8	175.3	0	0	0	0	0	114.4	V183 Q197	V183-G236 VanDerWaalsContact CG2-O 3.31Å; V183-G236 WeakPolarHBondContact CG2-O 3.13Å; V183-G236 PolarHBondContact N-O 3.05Å; V183-G236 PolarHBondContact O-N 3.35Å; Q197-G236 CarbonylContact O-C 3.6Å; Q197-G236 WeakPolarHBondContact O-CA 3.49Å
237	R	89.6	Confident	87.6	Confident	82 Å²	82	23.5 Å²	23.5	31%	0.309	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.4	169.9	-61.9	-170	171.6	-176.9	-0.6	107.9	I180 L182 I196 Q197	I180-R237 HydrophobicContact CG2-CB 4.3Å; L182-R237 HydrophobicContact CD2-CG 3.73Å; I196-R237 HydrophobicContact CB-CB 4.22Å; I196-R237 PolarHBondContact N-O 2.89Å; Q197-R237 PolarHBondContact N-O 2.97Å; Q197-R237 PolarHBondContact O-N 3.34Å
238	V	91.9	Very high	87.5	Confident	6 Å²	6	24.7 Å²	24.7	4%	0.036	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.8	-176.4	175.9	0	0	0	0	108.9	I180 C181 V183 V194 I195 V225	I180-V238 CarbonylContact C-O 3.56Å; I180-V238 WeakPolarHBondContact CA-O 3.49Å; C181-V238 PolarHBondContact N-O 3.23Å; C181-V238 PolarHBondContact O-N 3.15Å; V183-V238 HydrophobicContact CG2-CB 4.27Å; V183-V238 HydrophobicContact CG2-CG2 3.46Å; V183-V238 VanDerWaalsContact CG2-CG2 3.46Å; V194-V238 CarbonylContact O-C 3.56Å; V194-V238 WeakPolarHBondContact O-CA 3.4Å; I195-V238 HydrophobicContact CG1-CG2 3.9Å; V225-V238 HydrophobicContact CB-CG1 4.26Å; V225-V238 HydrophobicContact CB-CG2 4.5Å; V225-V238 HydrophobicContact CG2-CG1 4.44Å; V225-V238 HydrophobicContact CG2-CG2 3.98Å
239	V	93.8	Very high	87.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.7	170.7	62.6	0	0	0	0	109.5	L37 L41 G193 V194 I196	L37-V239 HydrophobicContact CD2-CG1 4.44Å; L41-V239 HydrophobicContact CD1-CG2 4.12Å; G193-V239 CarbonylContact C-O 3.56Å; G193-V239 WeakPolarHBondContact CA-O 3.46Å; V194-V239 HydrophobicContact CB-CG1 4Å; V194-V239 PolarHBondContact N-O 3.26Å; V194-V239 WeakPolarHBondContact O-CG1 3.42Å; V194-V239 PolarHBondContact O-N 3.36Å; I196-V239 HydrophobicContact CD1-CB 4.17Å; I196-V239 HydrophobicContact CG1-CB 4.33Å; I196-V239 HydrophobicContact CG1-CG1 4.39Å
240	V	94.7	Very high	87.2	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.3	-179	179.2	0	0	0	0	110.4	I175 G178 D179 C181 A191 V243	I175-V240 HydrophobicContact CG2-CG1 4.37Å; I175-V240 HydrophobicContact CG2-CG2 3.86Å; G178-V240 PolarHBondContact N-O 3.01Å; D179-V240 HydrophobicContact CB-CG2 4.23Å; D179-V240 WeakPolarHBondContact O-CG2 3.33Å; D179-V240 PolarHBondContact O-N 2.95Å; C181-V240 WeakPolarHBondContact SG-CG2 3.35Å; A191-V240 HydrophobicContact CB-CG1 3.68Å; A191-V240 HydrophobicContact CB-CG2 4.34Å; V240-V243 HydrophobicContact CG1-CG1 3.54Å
241	T	92.8	Very high	87.1	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-38.1	179.6	52.4	0	0	0	0	112.5	L12 M16 L37 V177 D192 G193 V194	L12-T241 WeakPolarHBondContact CD1-O 3.24Å; L12-T241 HydrophobicContact CD2-CG2 4.5Å; M16-T241 WeakPolarHBondContact CG-OG1 3.48Å; M16-T241 PolarHBondContact SD-OG1 3.03Å; L37-T241 HydrophobicContact CD2-CG2 4.23Å; V177-T241 WeakPolarHBondContact CG2-O 3.15Å; D192-T241 PolarHBondContact O-N 2.77Å; D192-T241 PolarHBondContact O-OG1 2.63Å; G193-T241 WeakPolarHBondContact CA-OG1 3.36Å; V194-T241 HydrophobicContact CG2-CG2 3.8Å
242	A	92.9	Very high	86.8	Confident	4 Å²	4	29 Å²	29	3%	0.033	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	139.6	179.3	0	0	0	0	0	112.7	D192	D192-A242 HydrophobicContact CB-CB 4.07Å; D192-A242 PolarHBondContact N-O 2.8Å; D192-A242 PolarHBondContact O-N 3.28Å
243	V	93.2	Very high	86.5	Confident	1 Å²	1	31 Å²	31	1%	0.006	17%	0.168	C	C	.	.			trans	-127.1	153.7	-174.2	-64.8	0	0	0	0	111.9	N65 V177 A191 V240 L245 N246	N65-V243 HydrophobicContact CB-CB 3.89Å; N65-V243 HydrophobicContact CB-CG1 4.23Å; V177-V243 HydrophobicContact CG2-CG1 4.18Å; V177-V243 HydrophobicContact CG2-CG2 4.12Å; A191-V243 HydrophobicContact CB-CG1 3.99Å; V240-V243 HydrophobicContact CG1-CG1 3.54Å; V243-L245 PolarHBondContact O-N 3.24Å; V243-N246 WeakPolarHBondContact O-CB 3.27Å; V243-N246 PolarHBondContact O-N 3.49Å; V243-N246 VanDerWaalsContact O-N 3.09Å
244	G	88.5	Confident	86.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	57.4	-130.2	171.8	0	0	0	0	0	113.4	N65 N246 S247 G250	N65-G244 PolarHBondContact OD1-N 2.94Å; G244-N246 PolarHBondContact O-N 2.79Å; G244-S247 PolarHBondContact O-N 3.39Å; G244-S247 PolarHBondContact O-OG 2.98Å; G244-G250 WeakPolarHBondContact O-CA 3.47Å
245	L	86.8	Confident	86.4	Confident	65 Å²	65	37.6 Å²	37.6	34%	0.34	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-64.9	-14.4	179.6	-68.4	173.7	0	0	0	114.3	I67 P68 V243	I67-L245 HydrophobicContact CG2-CD2 4.31Å; P68-L245 HydrophobicContact CG-CD1 4.43Å; V243-L245 PolarHBondContact O-N 3.24Å
246	N	90.9	Very high	85.7	Confident	43 Å²	43	37.8 Å²	37.8	23%	0.23	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-90.8	-10.4	178.7	-62.1	-26.8	0	0	0	112.7	V9 M13 Y62 V243 G244	V9-N246 HydrophobicContact CG1-CB 4.5Å; M13-N246 HydrophobicContact CG-CB 4.21Å; M13-N246 HydrophobicContact SD-CB 4.08Å; Y62-N246 PolarHBondContact O-ND2 3.33Å; V243-N246 WeakPolarHBondContact O-CB 3.27Å; V243-N246 PolarHBondContact O-N 3.49Å; V243-N246 VanDerWaalsContact O-N 3.09Å; G244-N246 PolarHBondContact O-N 2.79Å
247	S	90.2	Very high	84.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-73.3	159.8	171.2	67.2	0	0	0	0	111.7	D192 G244 S249 G250 I251	D192-S247 WeakPolarHBondContact OD2-CA 3.35Å; D192-S247 WeakPolarHBondContact OD2-CB 3.31Å; G244-S247 PolarHBondContact O-N 3.39Å; G244-S247 PolarHBondContact O-OG 2.98Å; S247-S249 VanDerWaalsContact C-N 3.31Å; S247-S249 PolarHBondContact O-N 2.95Å; S247-G250 CarbonylContact O-C 3.52Å; S247-G250 WeakPolarHBondContact O-CA 3.43Å; S247-G250 PolarHBondContact O-N 2.73Å; S247-G250 PolarHBondContact OG-N 3.32Å; S247-I251 VanDerWaalsContact O-CG1 3.3Å; S247-I251 WeakPolarHBondContact O-CG1 3.48Å; S247-I251 PolarHBondContact O-N 2.93Å
248	Q	86.5	Confident	83.4	Confident	38 Å²	38	37.1 Å²	37.1	18%	0.178	20%	0.199	C	C	.	.	H	α-helix	trans	-56.5	-44.8	175.7	-68.5	-60.5	-39.4	0	0	111.9	M16 D192 L226 G250 I251 I252	M16-Q248 HydrophobicContact CB-CG 4.31Å; D192-Q248 PolarHBondContact OD2-N 2.77Å; L226-Q248 HydrophobicContact CD2-CG 4.12Å; Q248-G250 VanDerWaalsContact C-N 3.34Å; Q248-G250 PolarHBondContact O-N 3.14Å; Q248-I251 PolarHBondContact O-N 2.8Å; Q248-I252 WeakPolarHBondContact O-CG1 3.19Å; Q248-I252 PolarHBondContact O-N 3.04Å; Q248-I252 VanDerWaalsContact O-N 3.07Å
249	S	82.1	Confident	81.4	Confident	27 Å²	27	39.4 Å²	39.4	19%	0.189	22%	0.218	C	C	.	.	H	α-helix	trans	-58.8	-42.9	171.7	-82.8	0	0	0	0	112.6	S227 S247 I252 M253	S227-S249 PolarHBondContact O-OG 3.03Å; S247-S249 VanDerWaalsContact C-N 3.31Å; S247-S249 PolarHBondContact O-N 2.95Å; S249-I252 PolarHBondContact O-N 3.2Å; S249-M253 PolarHBondContact O-N 3.06Å
250	G	82.8	Confident	79.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-40.5	177.6	0	0	0	0	0	113.7	G244 S247 Q248 M253 K254	G244-G250 WeakPolarHBondContact O-CA 3.47Å; S247-G250 CarbonylContact O-C 3.52Å; S247-G250 WeakPolarHBondContact O-CA 3.43Å; S247-G250 PolarHBondContact O-N 2.73Å; S247-G250 PolarHBondContact OG-N 3.32Å; Q248-G250 VanDerWaalsContact C-N 3.34Å; Q248-G250 PolarHBondContact O-N 3.14Å; G250-M253 PolarHBondContact O-N 2.88Å; G250-K254 WeakPolarHBondContact O-CB 3.31Å; G250-K254 PolarHBondContact O-N 3.2Å
251	I	83.5	Confident	77	Confident	39 Å²	39	46.2 Å²	46.2	20%	0.2	25%	0.25	C	C	.	.	H	α-helix	trans	-63.8	-46.5	176.9	-65.4	163.8	0	0	0	110	M13 S247 Q248 M253 K254 L255	M13-I251 HydrophobicContact CE-CD1 3.74Å; M13-I251 HydrophobicContact CE-CG1 4.18Å; S247-I251 VanDerWaalsContact O-CG1 3.3Å; S247-I251 WeakPolarHBondContact O-CG1 3.48Å; S247-I251 PolarHBondContact O-N 2.93Å; Q248-I251 PolarHBondContact O-N 2.8Å; I251-M253 VanDerWaalsContact C-N 3.29Å; I251-M253 PolarHBondContact O-N 3.45Å; I251-K254 PolarHBondContact O-N 2.9Å; I251-L255 HydrophobicContact CG2-CD1 4.05Å; I251-L255 HydrophobicContact CG2-CG 4.47Å; I251-L255 WeakPolarHBondContact O-CG 3.41Å; I251-L255 PolarHBondContact O-N 2.78Å
252	I	79.2	Confident	74.5	Confident	74 Å²	74	49.3 Å²	49.3	38%	0.379	28%	0.276	S	S	.	.	H	α-helix	trans	-58	-44.6	175.5	-67.1	165.1	0	0	0	110.2	L208 Q248 S249 K254 L255 L256	L208-I252 HydrophobicContact CD2-CD1 3.56Å; Q248-I252 WeakPolarHBondContact O-CG1 3.19Å; Q248-I252 PolarHBondContact O-N 3.04Å; Q248-I252 VanDerWaalsContact O-N 3.07Å; S249-I252 PolarHBondContact O-N 3.2Å; I252-K254 PolarHBondContact O-N 3.5Å; I252-L255 PolarHBondContact O-N 3.09Å; I252-L256 HydrophobicContact CG2-CD1 3.93Å; I252-L256 HydrophobicContact CG2-CG 4.38Å; I252-L256 WeakPolarHBondContact O-CB 3.35Å; I252-L256 WeakPolarHBondContact O-CG 3.18Å; I252-L256 PolarHBondContact O-N 3.46Å
253	M	72.6	Confident	72.1	Confident	91 Å²	91	54.8 Å²	54.8	45%	0.448	30%	0.298	S	S	.	.	H	α-helix	trans	-64.7	-39	179.1	-165.9	65.3	-159.9	0	0	112.6	I67 S249 G250 I251 L256 G257	I67-M253 HydrophobicContact CG2-CG 4.24Å; S249-M253 PolarHBondContact O-N 3.06Å; G250-M253 PolarHBondContact O-N 2.88Å; I251-M253 VanDerWaalsContact C-N 3.29Å; I251-M253 PolarHBondContact O-N 3.45Å; M253-L256 PolarHBondContact O-N 3.48Å; M253-G257 PolarHBondContact O-N 3.5Å
254	K	78	Confident	69.5	Low	140 Å²	140	59.9 Å²	59.9	61%	0.609	32%	0.322	S	S	*	.	H	α-helix	trans	-65.6	-42.1	176.1	-173	179.8	179.4	-177.9	0	112	G250 I251 I252 G257 S258	G250-K254 WeakPolarHBondContact O-CB 3.31Å; G250-K254 PolarHBondContact O-N 3.2Å; I251-K254 PolarHBondContact O-N 2.9Å; I252-K254 PolarHBondContact O-N 3.5Å; K254-G257 PolarHBondContact O-N 3.11Å; K254-S258 PolarHBondContact O-N 3.05Å; K254-S258 PolarHBondContact O-OG 3.04Å; K254-S258 VanDerWaalsContact O-OG 3.05Å
255	L	75.7	Confident	67.1	Low	111 Å²	111	64.7 Å²	64.7	58%	0.581	35%	0.348	S	S	*	.	H	α-helix	trans	-66.1	-42.9	175.4	-70.8	173	0	0	0	111.5	I251 I252 S258 A259	I251-L255 HydrophobicContact CG2-CD1 4.05Å; I251-L255 HydrophobicContact CG2-CG 4.47Å; I251-L255 WeakPolarHBondContact O-CG 3.41Å; I251-L255 PolarHBondContact O-N 2.78Å; I252-L255 PolarHBondContact O-N 3.09Å; L255-S258 PolarHBondContact O-OG 2.55Å; L255-S258 VanDerWaalsContact O-OG 3.05Å; L255-A259 WeakPolarHBondContact O-CB 3.34Å; L255-A259 PolarHBondContact O-N 2.95Å; L255-A259 VanDerWaalsContact O-N 3.16Å
256	L	70.4	Confident	64.7	Low	59 Å²	59	63.1 Å²	63.1	31%	0.309	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-46.7	175.4	-77.2	173.2	0	0	0	110.8	I252 M253 A259 Q260 E1082	I252-L256 HydrophobicContact CG2-CD1 3.93Å; I252-L256 HydrophobicContact CG2-CG 4.38Å; I252-L256 WeakPolarHBondContact O-CB 3.35Å; I252-L256 WeakPolarHBondContact O-CG 3.18Å; I252-L256 PolarHBondContact O-N 3.46Å; M253-L256 PolarHBondContact O-N 3.48Å; L256-A259 PolarHBondContact O-N 3.44Å; L256-Q260 WeakPolarHBondContact O-CG 2.94Å; L256-Q260 PolarHBondContact O-N 2.91Å; L256-Q260 PolarHBondContact O-NE2 3.49Å; L256-E1082 HydrophobicContact CD2-CG 4.14Å
257	G	61.5	Low	62.1	Low	18 Å²	18	69 Å²	69	19%	0.186	37%	0.371	C	S	.	.	H	α-helix	trans	-60.3	-46.6	179	0	0	0	0	0	114.3	M253 K254 Q260 E261	M253-G257 PolarHBondContact O-N 3.5Å; K254-G257 PolarHBondContact O-N 3.11Å; G257-Q260 VanDerWaalsContact O-CB 3.32Å; G257-Q260 WeakPolarHBondContact O-CB 3.37Å; G257-Q260 WeakPolarHBondContact O-CG 3.38Å; G257-Q260 PolarHBondContact O-N 2.8Å; G257-E261 PolarHBondContact O-N 2.95Å
258	S	64.1	Low	59.5	Low	61 Å²	61	78.3 Å²	78.3	43%	0.427	41%	0.406	S	S	.	.	H	α-helix	trans	-66.9	-37.2	178.8	54.9	0	0	0	0	113.1	K254 L255 Q260 E261 A262	K254-S258 PolarHBondContact O-N 3.05Å; K254-S258 PolarHBondContact O-OG 3.04Å; K254-S258 VanDerWaalsContact O-OG 3.05Å; L255-S258 PolarHBondContact O-OG 2.55Å; L255-S258 VanDerWaalsContact O-OG 3.05Å; S258-Q260 PolarHBondContact O-N 3.21Å; S258-Q260 VanDerWaalsContact O-N 3.16Å; S258-E261 PolarHBondContact O-N 3.42Å; S258-A262 PolarHBondContact O-N 3.17Å
259	A	48.7	Very low	56.9	Low	54 Å²	54	84.1 Å²	84.1	45%	0.446	43%	0.433	S	S	.	.	H	α-helix	trans	-63.4	-21	175.1	0	0	0	0	0	113.1	L255 L256	L255-A259 WeakPolarHBondContact O-CB 3.34Å; L255-A259 PolarHBondContact O-N 2.95Å; L255-A259 VanDerWaalsContact O-N 3.16Å; L256-A259 PolarHBondContact O-N 3.44Å
260	Q	49.3	Very low	54.7	Low	17 Å²	17	89.8 Å²	89.8	8%	0.079	46%	0.46	C	S	.	.	H	α-helix	trans	-80.8	-44.1	177.8	-38	-167.9	-30.4	0	0	112.6	L256 G257 S258 K263 Q264 P1081	L256-Q260 WeakPolarHBondContact O-CG 2.94Å; L256-Q260 PolarHBondContact O-N 2.91Å; L256-Q260 PolarHBondContact O-NE2 3.49Å; G257-Q260 VanDerWaalsContact O-CB 3.32Å; G257-Q260 WeakPolarHBondContact O-CB 3.37Å; G257-Q260 WeakPolarHBondContact O-CG 3.38Å; G257-Q260 PolarHBondContact O-N 2.8Å; S258-Q260 PolarHBondContact O-N 3.21Å; S258-Q260 VanDerWaalsContact O-N 3.16Å; Q260-K263 PolarHBondContact O-N 3.3Å; Q260-Q264 PolarHBondContact O-N 3.35Å; Q260-P1081 HydrophobicContact CB-CB 3.26Å; Q260-P1081 HydrophobicContact CB-CG 3.27Å; Q260-P1081 HydrophobicContact CG-CB 3.25Å; Q260-P1081 HydrophobicContact CG-CG 3.48Å; Q260-P1081 VanDerWaalsContact CG-CG 3.48Å; Q260-P1081 VanDerWaalsContact NE2-C 3.34Å; Q260-P1081 PolarHBondContact NE2-O 2.96Å
261	E	47.1	Very low	52.3	Low	127 Å²	127	99 Å²	99	59%	0.593	50%	0.5	S	S	*	.	H	α-helix	trans	-67	-43.4	-179.7	-68.1	177.3	172.9	0	0	109.9	G257 S258 K263 Q264 D265	G257-E261 PolarHBondContact O-N 2.95Å; S258-E261 PolarHBondContact O-N 3.42Å; E261-K263 PolarHBondContact O-N 2.92Å; E261-K263 VanDerWaalsContact O-N 3.17Å; E261-Q264 WeakPolarHBondContact O-CA 3.49Å; E261-Q264 WeakPolarHBondContact O-CB 3.38Å; E261-Q264 PolarHBondContact O-N 3.03Å; E261-D265 PolarHBondContact O-N 3.06Å
262	A	41.2	Very low	49.7	Very low	67 Å²	67	102.8 Å²	102.8	55%	0.554	53%	0.525	S	S	*	.	H	α-helix	trans	-59.4	-30.5	175.1	0	0	0	0	0	113.5	S258 G266	S258-A262 PolarHBondContact O-N 3.17Å; A262-G266 PolarHBondContact O-N 3.06Å
263	K	42.8	Very low	47.4	Very low	118 Å²	118	105.6 Å²	105.6	51%	0.513	55%	0.551	S	S	.	*	H	α-helix	trans	-75.8	-24.4	173.7	-79.6	179	-177.7	168.9	0	113.4	Q260 E261	Q260-K263 PolarHBondContact O-N 3.3Å; E261-K263 PolarHBondContact O-N 2.92Å; E261-K263 VanDerWaalsContact O-N 3.17Å
264	Q	38.2	Very low	45.2	Very low	108 Å²	108	104.4 Å²	104.4	51%	0.505	56%	0.562	S	S	.	*	H	α-helix	trans	-77.6	-39	174.3	-78.9	-174.4	-7.9	0	0	111.5	Q260 E261 I1079	Q260-Q264 PolarHBondContact O-N 3.35Å; E261-Q264 WeakPolarHBondContact O-CA 3.49Å; E261-Q264 WeakPolarHBondContact O-CB 3.38Å; E261-Q264 PolarHBondContact O-N 3.03Å; Q264-I1079 HydrophobicContact CG-CG2 4.1Å; Q264-I1079 VanDerWaalsContact NE2-CG2 3.34Å
265	D	38	Very low	43	Very low	102 Å²	102	105.9 Å²	105.9	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-84.7	-36.4	-178.1	-72.3	-27.9	0	0	0	113.7	E261 K267 R268	E261-D265 PolarHBondContact O-N 3.06Å; D265-K267 PolarHBondContact O-N 3.45Å; D265-R268 PolarHBondContact O-N 3.21Å
266	G	36.2	Very low	40.7	Very low	31 Å²	31	103.8 Å²	103.8	32%	0.32	58%	0.575	S	S	.	*	H	α-helix	trans	-64.3	-13.2	178.2	0	0	0	0	0	115.2	A262 I270	A262-G266 PolarHBondContact O-N 3.06Å; G266-I270 WeakPolarHBondContact O-CD1 3.39Å; G266-I270 VanDerWaalsContact O-CG1 3.25Å; G266-I270 WeakPolarHBondContact O-CG1 3.39Å
267	K	36.9	Very low	38.7	Very low	166 Å²	166	108.6 Å²	108.6	72%	0.722	60%	0.602	S	S	*	*	H	α-helix	trans	-87.2	-10.4	172.4	-98.2	178.9	178	176.2	0	114	D265	D265-K267 PolarHBondContact O-N 3.45Å
268	R	35.2	Very low	37.1	Very low	197 Å²	197	112.7 Å²	112.7	74%	0.743	63%	0.633	S	S	*	*	H	α-helix	trans	-91	-21.4	175.8	-77.2	178.3	167.7	172.8	-7.1	113.2	D265	D265-R268 PolarHBondContact O-N 3.21Å
269	E	32.5	Very low	35.3	Very low	159 Å²	159	118.7 Å²	118.7	74%	0.743	66%	0.655	S	S	*	*	H	α-helix	trans	-96.6	-15.1	179.5	-69.3	-173.9	155.2	0	0	114.8	K271	E269-K271 PolarHBondContact O-N 3.47Å; E269-K271 VanDerWaalsContact O-N 3.09Å
270	I	35	Very low	34.6	Very low	146 Å²	146	120.7 Å²	120.7	75%	0.749	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	18.3	-176.8	-61.5	171.9	0	0	0	113.4	G266	G266-I270 WeakPolarHBondContact O-CD1 3.39Å; G266-I270 VanDerWaalsContact O-CG1 3.25Å; G266-I270 WeakPolarHBondContact O-CG1 3.39Å
271	K	32.1	Very low	33.6	Very low	194 Å²	194	129.1 Å²	129.1	84%	0.843	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	7.7	175	-85.6	-169.9	175.5	-175.5	0	115.6	E269	E269-K271 PolarHBondContact O-N 3.47Å; E269-K271 VanDerWaalsContact O-N 3.09Å
272	T	29.9	Very low	32.6	Very low	118 Å²	118	129.4 Å²	129.4	72%	0.724	71%	0.71	S	S	*	*	S	Bend	trans	-150.6	125.9	177.2	6.4	0	0	0	0	109.5
273	S	30.3	Very low	32	Very low	133 Å²	133	131 Å²	131	93%	0.93	72%	0.717	S	S	*	*			trans	86.9	97.3	177.4	-132.8	0	0	0	0	116.2
274	G	26.9	Very low	31.3	Very low	67 Å²	67	132.9 Å²	132.9	69%	0.691	73%	0.732	S	S	*	*			trans	-98.8	136.4	164.1	0	0	0	0	0	110.9
275	N	30.1	Very low	30.8	Very low	170 Å²	170	131 Å²	131	91%	0.909	74%	0.743	S	S	*	*			trans	138.2	148.8	156.8	-90.2	-5.8	0	0	0	109
276	A	29.4	Very low	30.4	Very low	67 Å²	67	134.1 Å²	134.1	55%	0.554	76%	0.758	S	S	*	*			cis	-169.9	146.7	-22.9	0	0	0	0	0	104.5
277	N	27.5	Very low	29.9	Very low	161 Å²	161	140.2 Å²	140.2	86%	0.861	78%	0.783	S	S	*	*			trans	67	109.6	153.9	-56.2	-19.5	0	0	0	119.5
278	A	28.9	Very low	29.5	Very low	103 Å²	103	136 Å²	136	85%	0.851	79%	0.787	S	S	*	*				180	101	117.4	0	0	0	0	0	111.3
279	E	26.2	Very low	29	Very low	187 Å²	187	134.5 Å²	134.5	87%	0.874	79%	0.788	S	S	*	*			trans	-88.5	-176.5	148.4	-79.9	-173.3	174.3	0	0	108.2
280	P	34	Very low	28.8	Very low	97 Å²	97	133.7 Å²	133.7	63%	0.63	79%	0.794	S	S	*	*			cis	-140.4	-173.5	-9.6	18.5	8.7	0	0	0	113.6
281	K	27.8	Very low	28.3	Very low	194 Å²	194	135 Å²	135	84%	0.843	79%	0.794	S	S	*	*			trans	144.4	108.5	137	-79.3	171.4	-177.9	-176.6	0	109.7
282	V	26.3	Very low	28	Very low	132 Å²	132	135 Å²	135	80%	0.8	80%	0.797	S	S	*	*				74.2	132.8	56	-174.2	0	0	0	0	114.5
283	S	27.9	Very low	27.7	Very low	100 Å²	100	134.7 Å²	134.7	70%	0.699	81%	0.806	S	S	*	*			trans	106.9	138.6	162.7	74.7	0	0	0	0	114.8
284	N	28.4	Very low	27.5	Very low	158 Å²	158	131.8 Å²	131.8	85%	0.845	80%	0.798	S	S	*	*			cis	-172.7	152.4	2.3	-105	-7	0	0	0	109.7
285	G	27.5	Very low	27.4	Very low	70 Å²	70	134.9 Å²	134.9	72%	0.722	80%	0.799	S	S	*	*			trans	84.5	143.8	146.9	0	0	0	0	0	117.7
286	L	29.6	Very low	27.1	Very low	166 Å²	166	130.4 Å²	130.4	87%	0.869	79%	0.793	S	S	*	*			cis	-155.8	142.3	11.6	-120.9	91.5	0	0	0	109.9
287	D	25.8	Very low	27	Very low	159 Å²	159	131.7 Å²	131.7	85%	0.85	79%	0.79	S	S	*	*			trans	1.5	140	152	-58.9	-42.4	0	0	0	123.1
288	G	27.4	Very low	26.9	Very low	77 Å²	77	131.3 Å²	131.3	79%	0.794	78%	0.783	S	S	*	*			trans	175.9	73.2	164.3	0	0	0	0	0	114
289	H	25.9	Very low	26.9	Very low	167 Å²	167	132.8 Å²	132.8	77%	0.773	78%	0.782	S	S	*	*			trans	-66.4	120.2	176.9	-107.6	-62.1	0	0	0	113.1
290	V	28.2	Very low	26.9	Very low	141 Å²	141	131.6 Å²	131.6	86%	0.855	77%	0.774	S	S	*	*			trans	-138.2	109.6	143.5	179.7	0	0	0	0	108.5
291	K	23.3	Very low	26.6	Very low	175 Å²	175	130.3 Å²	130.3	76%	0.761	78%	0.778	S	S	*	*			trans	-81.7	124.3	167	-75.3	175.3	173.9	175.5	0	108.1
292	Q	26.7	Very low	26.7	Very low	192 Å²	192	126.9 Å²	126.9	90%	0.897	76%	0.76	S	S	*	*			trans	-151.8	127.3	143.5	-114	170.7	14.7	0	0	109.7
293	A	23.9	Very low	26.8	Very low	112 Å²	112	128.6 Å²	128.6	93%	0.926	76%	0.756	S	S	*	*			trans	-76.9	138.3	-175.4	0	0	0	0	0	110.8
294	G	25.4	Very low	27	Very low	73 Å²	73	128 Å²	128	75%	0.753	76%	0.758	S	S	*	*			trans	-165.1	127	172.6	0	0	0	0	0	108.9
295	D	24.5	Very low	27.6	Very low	132 Å²	132	126.2 Å²	126.2	71%	0.706	75%	0.745	S	S	*	*			trans	-39.8	131.2	-173.7	-95	-38.8	0	0	0	115.6
296	G	25.6	Very low	28.6	Very low	76 Å²	76	129.8 Å²	129.8	78%	0.784	74%	0.74	S	S	*	*			trans	-152.8	78.9	177.2	0	0	0	0	0	112.4
297	D	25.9	Very low	30.2	Very low	93 Å²	93	122.1 Å²	122.1	50%	0.497	70%	0.7	S	S	.	*			trans	-149.5	49.1	165.1	-162.1	23.3	0	0	0	111.2	K300 F1037	D297-K300 VanDerWaalsContact CG-NZ 3.33Å; D297-K300 WeakPolarHBondContact OD1-CE 3.43Å; D297-K300 IonicContact OD1-NZ 3.4Å; D297-K300 PolarHBondContact OD1-NZ 2.94Å; D297-K300 VanDerWaalsContact OD1-NZ 3.1Å; D297-K300 IonicContact OD2-NZ 2.87Å; D297-K300 PolarHBondContact OD2-NZ 3.28Å; D297-F1037 VanDerWaalsContact O-CZ 3.25Å; D297-F1037 WeakPolarHBondContact O-CZ 3.43Å
298	E	26.5	Very low	32.2	Very low	154 Å²	154	115.7 Å²	115.7	72%	0.72	67%	0.667	S	S	*	*			trans	-110.7	13.9	-176.6	-139.1	165.2	-135.7	0	0	115.3	F1037	E298-F1037 HydrophobicContact CB-CE2 4.21Å; E298-F1037 HydrophobicContact CB-CZ 3.67Å; E298-F1037 HydrophobicContact CG-CE2 3.55Å; E298-F1037 HydrophobicContact CG-CZ 3.51Å; E298-F1037 VanDerWaalsContact OE1-CE2 3.28Å; E298-F1037 WeakPolarHBondContact OE1-CE2 3.48Å
299	T	27.8	Very low	34.2	Very low	134 Å²	134	112.1 Å²	112.1	82%	0.822	63%	0.629	S	S	*	*			trans	-125.9	53.5	179.4	33.1	0	0	0	0	113.3
300	K	27.6	Very low	36.2	Very low	161 Å²	161	108.1 Å²	108.1	70%	0.7	61%	0.611	S	S	*	*			trans	-90.5	108.2	163.6	-78.6	177.5	-174.3	134.6	0	110.6	D297	D297-K300 VanDerWaalsContact CG-NZ 3.33Å; D297-K300 WeakPolarHBondContact OD1-CE 3.43Å; D297-K300 IonicContact OD1-NZ 3.4Å; D297-K300 PolarHBondContact OD1-NZ 2.94Å; D297-K300 VanDerWaalsContact OD1-NZ 3.1Å; D297-K300 IonicContact OD2-NZ 2.87Å; D297-K300 PolarHBondContact OD2-NZ 3.28Å
301	G	26.8	Very low	38.1	Very low	70 Å²	70	102.1 Å²	102.1	72%	0.722	58%	0.578	S	S	*	*			trans	-47.7	143.7	178.8	0	0	0	0	0	114.7	K303	G301-K303 PolarHBondContact O-N 3.25Å
302	R	29.3	Very low	40.6	Very low	123 Å²	123	94.1 Å²	94.1	46%	0.464	54%	0.543	S	S	.	.			trans	-41.3	105.4	175.9	-86.7	171.2	155.8	164.1	-10.8	111.1	A304	R302-A304 PolarHBondContact O-N 3.34Å; R302-A304 VanDerWaalsContact O-N 3.14Å
303	K	28.5	Very low	42.8	Very low	167 Å²	167	85.5 Å²	85.5	73%	0.726	50%	0.503	S	S	*	.			trans	-56.9	118.4	149.7	-77.5	178.7	178	172.9	0	105.5	G301 E305 I1032	G301-K303 PolarHBondContact O-N 3.25Å; K303-E305 PolarHBondContact O-N 3.13Å; K303-I1032 HydrophobicContact CD-CD1 4.17Å
304	A	31.6	Very low	45.1	Very low	89 Å²	89	83.5 Å²	83.5	74%	0.736	48%	0.479	S	S	*	.			trans	-39.4	107.4	-179.7	0	0	0	0	0	110	R302 K306	R302-A304 PolarHBondContact O-N 3.34Å; R302-A304 VanDerWaalsContact O-N 3.14Å; A304-K306 PolarHBondContact O-N 3.07Å
305	E	41.2	Very low	47.5	Very low	120 Å²	120	84.1 Å²	84.1	56%	0.561	46%	0.459	S	S	*	.			trans	-61.1	106.3	179.7	-76.6	177.4	154.6	0	0	106.2	K303 S307	K303-E305 PolarHBondContact O-N 3.13Å; E305-S307 PolarHBondContact O-N 3.16Å
306	K	48.7	Very low	50.1	Low	145 Å²	145	78.2 Å²	78.2	63%	0.63	43%	0.427	S	S	*	.			trans	-64.4	130.4	-179.6	-68	-174.8	177.9	-172.7	0	107.4	A304	A304-K306 PolarHBondContact O-N 3.07Å
307	S	64.7	Low	52.6	Low	4 Å²	4	76.5 Å²	76.5	3%	0.028	40%	0.403	C	S	.	.			trans	-53.6	149.9	175.6	-158.6	0	0	0	0	111.6	E305 L309 Q310 G311 Y404 E407	E305-S307 PolarHBondContact O-N 3.16Å; S307-L309 VanDerWaalsContact C-N 3.26Å; S307-L309 PolarHBondContact O-N 2.86Å; S307-Q310 PolarHBondContact O-N 3.36Å; S307-Q310 VanDerWaalsContact O-N 3.12Å; S307-G311 PolarHBondContact O-N 3.46Å; S307-Y404 WeakPolarHBondContact OG-CB 3.15Å; S307-E407 VanDerWaalsContact CB-OE2 3.3Å; S307-E407 WeakPolarHBondContact CB-OE2 3.46Å; S307-E407 PolarHBondContact OG-OE2 2.98Å
308	V	67	Low	55	Low	24 Å²	24	75.2 Å²	75.2	15%	0.145	39%	0.394	C	S	.	.	H	α-helix	trans	-55.7	-42.8	-179.1	179	0	0	0	0	110.9	K312 V1029	V308-K312 WeakPolarHBondContact O-CG 3.46Å; V308-K312 PolarHBondContact O-N 2.88Å; V308-V1029 HydrophobicContact CG1-CG2 4.41Å
309	L	70.1	Confident	57.7	Low	2 Å²	2	72.8 Å²	72.8	1%	0.01	38%	0.383	C	S	.	.	H	α-helix	trans	-72	-42.5	175.9	-171.8	72.6	0	0	0	112.9	S307 G311 K312 L313 E407 Y803 I806 I877	S307-L309 VanDerWaalsContact C-N 3.26Å; S307-L309 PolarHBondContact O-N 2.86Å; L309-G311 VanDerWaalsContact C-N 3.26Å; L309-G311 PolarHBondContact O-N 3.39Å; L309-K312 CarbonylContact O-C 3.57Å; L309-K312 WeakPolarHBondContact O-CB 3.38Å; L309-K312 PolarHBondContact O-N 3.4Å; L309-L313 HydrophobicContact CD1-CG 4.39Å; L309-L313 HydrophobicContact CD2-CD1 4.16Å; L309-L313 HydrophobicContact CG-CD1 3.79Å; L309-L313 HydrophobicContact CG-CG 4.05Å; L309-L313 WeakPolarHBondContact O-CG 3.25Å; L309-L313 PolarHBondContact O-N 2.85Å; L309-E407 HydrophobicContact CB-CG 3.95Å; L309-E407 WeakPolarHBondContact CB-OE1 3.33Å; L309-E407 WeakPolarHBondContact CB-OE2 3.32Å; L309-E407 HydrophobicContact CD2-CG 4.03Å; L309-E407 PolarHBondContact N-OE1 2.88Å; L309-E407 PolarHBondContact N-OE2 2.9Å; L309-Y803 HydrophobicContact CD1-CD2 4.04Å; L309-Y803 HydrophobicContact CD1-CE2 3.88Å; L309-I806 HydrophobicContact CD2-CB 4.43Å; L309-I806 HydrophobicContact CD2-CD1 3.27Å; L309-I806 HydrophobicContact CD2-CG1 4.41Å; L309-I806 HydrophobicContact CD2-CG2 4.22Å; L309-I877 HydrophobicContact CD1-CD1 3.59Å; L309-I877 HydrophobicContact CD1-CG1 4.04Å
310	Q	67.6	Low	60.3	Low	84 Å²	84	67.9 Å²	67.9	39%	0.393	35%	0.352	S	S	.	.	H	α-helix	trans	-56.7	-44.2	178.7	-75.2	-176.9	-19.4	0	0	111	S307 K312 L313 T314	S307-Q310 PolarHBondContact O-N 3.36Å; S307-Q310 VanDerWaalsContact O-N 3.12Å; Q310-K312 VanDerWaalsContact C-N 3.31Å; Q310-K312 PolarHBondContact O-N 2.93Å; Q310-L313 PolarHBondContact O-N 2.8Å; Q310-T314 PolarHBondContact O-N 2.76Å; Q310-T314 PolarHBondContact O-OG1 2.78Å
311	G	68	Low	62.9	Low	15 Å²	15	61 Å²	61	16%	0.155	33%	0.326	C	S	.	.	H	α-helix	trans	-58.9	-40.5	175.2	0	0	0	0	0	113.2	S307 L309 R315	S307-G311 PolarHBondContact O-N 3.46Å; L309-G311 VanDerWaalsContact C-N 3.26Å; L309-G311 PolarHBondContact O-N 3.39Å; G311-R315 WeakPolarHBondContact O-CG 3.18Å; G311-R315 PolarHBondContact O-N 3.06Å
312	K	75	Confident	65.8	Low	6 Å²	6	61 Å²	61	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-70.7	-40.1	177	-69.9	178.9	-171.5	-178.8	0	112.5	V308 L309 Q310 R315 L316 R873 K875 I877	V308-K312 WeakPolarHBondContact O-CG 3.46Å; V308-K312 PolarHBondContact O-N 2.88Å; L309-K312 CarbonylContact O-C 3.57Å; L309-K312 WeakPolarHBondContact O-CB 3.38Å; L309-K312 PolarHBondContact O-N 3.4Å; Q310-K312 VanDerWaalsContact C-N 3.31Å; Q310-K312 PolarHBondContact O-N 2.93Å; K312-R315 WeakPolarHBondContact O-CB 3.34Å; K312-R315 PolarHBondContact O-N 3.36Å; K312-L316 PolarHBondContact O-N 3.35Å; K312-R873 WeakPolarHBondContact CE-O 3.25Å; K312-R873 PolarHBondContact NZ-O 3.16Å; K312-K875 PolarHBondContact NZ-O 2.91Å; K312-I877 HydrophobicContact CB-CD1 3.38Å; K312-I877 HydrophobicContact CB-CG1 3.96Å; K312-I877 HydrophobicContact CD-CD1 4.12Å; K312-I877 HydrophobicContact CD-CG1 3.79Å; K312-I877 HydrophobicContact CG-CD1 4.4Å
313	L	74.2	Confident	68.5	Low	11 Å²	11	57.8 Å²	57.8	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-68.8	-39.5	179.4	-68.8	175.7	0	0	0	112.3	L309 Q310 R315 L316 S317 L378 V382 I806 L810 I877	L309-L313 HydrophobicContact CD1-CG 4.39Å; L309-L313 HydrophobicContact CD2-CD1 4.16Å; L309-L313 HydrophobicContact CG-CD1 3.79Å; L309-L313 HydrophobicContact CG-CG 4.05Å; L309-L313 WeakPolarHBondContact O-CG 3.25Å; L309-L313 PolarHBondContact O-N 2.85Å; Q310-L313 PolarHBondContact O-N 2.8Å; L313-R315 VanDerWaalsContact C-N 3.28Å; L313-R315 PolarHBondContact O-N 2.92Å; L313-L316 PolarHBondContact O-N 3.49Å; L313-S317 WeakPolarHBondContact O-CB 3.43Å; L313-S317 PolarHBondContact O-N 3.32Å; L313-L378 HydrophobicContact CB-CD2 4.34Å; L313-L378 HydrophobicContact CD2-CD1 4.06Å; L313-L378 HydrophobicContact CD2-CD2 4.04Å; L313-L378 HydrophobicContact CD2-CG 4.29Å; L313-V382 HydrophobicContact CD1-CG2 3.18Å; L313-I806 HydrophobicContact CD1-CG2 4.29Å; L313-I806 HydrophobicContact CD2-CG2 4.44Å; L313-L810 HydrophobicContact CD2-CD1 3.76Å; L313-I877 HydrophobicContact CD2-CD1 3.65Å; L313-I877 HydrophobicContact CG-CD1 3.97Å
314	T	71.5	Confident	71.3	Confident	70 Å²	70	50 Å²	50	43%	0.429	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-39.9	173.3	-55.3	0	0	0	0	111.3	Q310 Q318	Q310-T314 PolarHBondContact O-N 2.76Å; Q310-T314 PolarHBondContact O-OG1 2.78Å; T314-Q318 WeakPolarHBondContact O-CB 3.31Å; T314-Q318 PolarHBondContact O-N 3.38Å
315	R	75.9	Confident	74	Confident	86 Å²	86	48.8 Å²	48.8	33%	0.325	26%	0.259	S	S	.	.	H	α-helix	trans	-65	-44	175.6	-73.8	177.2	178.2	168.4	-1.5	112	G311 K312 L313 Q318 Q319 G1027 D1028	G311-R315 WeakPolarHBondContact O-CG 3.18Å; G311-R315 PolarHBondContact O-N 3.06Å; K312-R315 WeakPolarHBondContact O-CB 3.34Å; K312-R315 PolarHBondContact O-N 3.36Å; L313-R315 VanDerWaalsContact C-N 3.28Å; L313-R315 PolarHBondContact O-N 2.92Å; R315-Q318 PolarHBondContact O-N 3.01Å; R315-Q319 WeakPolarHBondContact O-CG 3.43Å; R315-Q319 PolarHBondContact O-N 3.49Å; R315-G1027 VanDerWaalsContact NH1-C 3.28Å; R315-G1027 PolarHBondContact NH1-O 2.95Å; R315-D1028 VanDerWaalsContact CZ-O 3.24Å; R315-D1028 PolarHBondContact NH1-O 3.27Å; R315-D1028 PolarHBondContact NH2-O 3.23Å
316	L	78.8	Confident	76.3	Confident	8 Å²	8	46.9 Å²	46.9	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-48.7	178.4	-175.3	74.3	0	0	0	111.3	K312 L313 Q318 Q319 I320 L810 I878 V1024	K312-L316 PolarHBondContact O-N 3.35Å; L313-L316 PolarHBondContact O-N 3.49Å; L316-Q318 VanDerWaalsContact C-N 3.28Å; L316-Q318 PolarHBondContact O-N 3.14Å; L316-Q319 PolarHBondContact O-N 3.16Å; L316-Q319 VanDerWaalsContact O-N 3.1Å; L316-I320 HydrophobicContact CD1-CD1 4.27Å; L316-I320 HydrophobicContact CD2-CD1 4.19Å; L316-I320 HydrophobicContact CG-CD1 3.75Å; L316-I320 HydrophobicContact CG-CG1 4.44Å; L316-I320 WeakPolarHBondContact O-CG1 3.36Å; L316-I320 PolarHBondContact O-N 3.26Å; L316-L810 HydrophobicContact CD2-CD1 3.61Å; L316-L810 HydrophobicContact CD2-CD2 4.03Å; L316-L810 HydrophobicContact CD2-CG 4.18Å; L316-I878 HydrophobicContact CD1-CD1 3.76Å; L316-I878 HydrophobicContact CD2-CD1 4.3Å; L316-V1024 HydrophobicContact CD1-CG1 4.11Å
317	S	77.5	Confident	78.3	Confident	40 Å²	40	42 Å²	42	28%	0.28	24%	0.238	S	C	.	.	H	α-helix	trans	-56.7	-42.4	176	171.7	0	0	0	0	111.3	L313 Q319 I320 G321	L313-S317 WeakPolarHBondContact O-CB 3.43Å; L313-S317 PolarHBondContact O-N 3.32Å; S317-Q319 PolarHBondContact O-N 2.99Å; S317-I320 PolarHBondContact O-N 3.42Å; S317-G321 PolarHBondContact O-N 3.03Å
318	Q	76.4	Confident	79.4	Confident	67 Å²	67	42 Å²	42	31%	0.313	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-43	175	-172.6	-178.7	-1.5	0	0	112.6	T314 R315 L316 G321 I322	T314-Q318 WeakPolarHBondContact O-CB 3.31Å; T314-Q318 PolarHBondContact O-N 3.38Å; R315-Q318 PolarHBondContact O-N 3.01Å; L316-Q318 VanDerWaalsContact C-N 3.28Å; L316-Q318 PolarHBondContact O-N 3.14Å; Q318-G321 PolarHBondContact O-N 3.04Å; Q318-I322 HydrophobicContact CG-CD1 4.16Å; Q318-I322 VanDerWaalsContact O-CG1 3.31Å; Q318-I322 WeakPolarHBondContact O-CG1 3.3Å; Q318-I322 PolarHBondContact O-N 2.83Å; Q318-I322 VanDerWaalsContact O-N 3.07Å
319	Q	82.9	Confident	80.5	Confident	103 Å²	103	45.1 Å²	45.1	48%	0.481	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-43.9	177.9	-74.5	178	-17.7	0	0	111.8	R315 L316 S317 I322 A323	R315-Q319 WeakPolarHBondContact O-CG 3.43Å; R315-Q319 PolarHBondContact O-N 3.49Å; L316-Q319 PolarHBondContact O-N 3.16Å; L316-Q319 VanDerWaalsContact O-N 3.1Å; S317-Q319 PolarHBondContact O-N 2.99Å; Q319-I322 PolarHBondContact O-N 3.38Å; Q319-A323 PolarHBondContact O-N 3.27Å
320	I	83.9	Confident	81.5	Confident	31 Å²	31	48.9 Å²	48.9	16%	0.159	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-43.9	177.8	-65.6	165.6	0	0	0	110.5	L316 S317 I322 A323 G324 A373 P375 L814	L316-I320 HydrophobicContact CD1-CD1 4.27Å; L316-I320 HydrophobicContact CD2-CD1 4.19Å; L316-I320 HydrophobicContact CG-CD1 3.75Å; L316-I320 HydrophobicContact CG-CG1 4.44Å; L316-I320 WeakPolarHBondContact O-CG1 3.36Å; L316-I320 PolarHBondContact O-N 3.26Å; S317-I320 PolarHBondContact O-N 3.42Å; I320-I322 VanDerWaalsContact C-N 3.33Å; I320-I322 PolarHBondContact O-N 3.26Å; I320-A323 PolarHBondContact O-N 2.84Å; I320-G324 PolarHBondContact O-N 3.05Å; I320-A373 WeakPolarHBondContact CG2-O 3.45Å; I320-P375 HydrophobicContact CD1-CG 4.19Å; I320-P375 HydrophobicContact CG2-CG 4.39Å; I320-L814 HydrophobicContact CD1-CD2 3.49Å; I320-L814 VanDerWaalsContact CD1-CD2 3.49Å; I320-L814 HydrophobicContact CG1-CD2 4.46Å
321	G	81.7	Confident	82.5	Confident	16 Å²	16	45 Å²	45	17%	0.165	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-39.6	177.7	0	0	0	0	0	112.9	S317 Q318 T325	S317-G321 PolarHBondContact O-N 3.03Å; Q318-G321 PolarHBondContact O-N 3.04Å; G321-T325 WeakPolarHBondContact O-CB 3.5Å; G321-T325 PolarHBondContact O-N 3.1Å; G321-T325 PolarHBondContact O-OG1 2.96Å
322	I	86.6	Confident	83.6	Confident	70 Å²	70	46 Å²	46	36%	0.359	26%	0.26	S	S	.	.	H	α-helix	trans	-64.9	-48.9	173.9	-68.3	165.6	0	0	0	110.7	Q318 Q319 I320 G324 T325 V326	Q318-I322 HydrophobicContact CG-CD1 4.16Å; Q318-I322 VanDerWaalsContact O-CG1 3.31Å; Q318-I322 WeakPolarHBondContact O-CG1 3.3Å; Q318-I322 PolarHBondContact O-N 2.83Å; Q318-I322 VanDerWaalsContact O-N 3.07Å; Q319-I322 PolarHBondContact O-N 3.38Å; I320-I322 VanDerWaalsContact C-N 3.33Å; I320-I322 PolarHBondContact O-N 3.26Å; I322-G324 VanDerWaalsContact C-N 3.34Å; I322-G324 PolarHBondContact O-N 3.06Å; I322-T325 PolarHBondContact O-N 2.92Å; I322-V326 WeakPolarHBondContact O-CG2 3.47Å; I322-V326 PolarHBondContact O-N 2.98Å
323	A	87.6	Confident	84.3	Confident	56 Å²	56	48.2 Å²	48.2	46%	0.463	28%	0.28	S	S	.	.	H	α-helix	trans	-59.6	-44.9	178.8	0	0	0	0	0	111.7	Q319 I320 T325 V326 V327	Q319-A323 PolarHBondContact O-N 3.27Å; I320-A323 PolarHBondContact O-N 2.84Å; A323-T325 PolarHBondContact O-N 2.54Å; A323-V326 PolarHBondContact O-N 2.94Å; A323-V327 WeakPolarHBondContact O-CG2 3.44Å; A323-V327 PolarHBondContact O-N 2.82Å
324	G	87	Confident	85.1	Confident	4 Å²	4	50.1 Å²	50.1	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-42.5	176	0	0	0	0	0	113.1	I320 I322 V326 V327 A328 A373	I320-G324 PolarHBondContact O-N 3.05Å; I322-G324 VanDerWaalsContact C-N 3.34Å; I322-G324 PolarHBondContact O-N 3.06Å; G324-V326 PolarHBondContact O-N 3.23Å; G324-V327 PolarHBondContact O-N 2.97Å; G324-A328 WeakPolarHBondContact O-CB 3.3Å; G324-A328 PolarHBondContact O-N 3.03Å; G324-A373 VanDerWaalsContact CA-CB 3.44Å
325	T	86.8	Confident	85.9	Confident	63 Å²	63	47 Å²	47	39%	0.387	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-42.1	176	-54.8	0	0	0	0	111.6	G321 I322 A323 A328 V329	G321-T325 WeakPolarHBondContact O-CB 3.5Å; G321-T325 PolarHBondContact O-N 3.1Å; G321-T325 PolarHBondContact O-OG1 2.96Å; I322-T325 PolarHBondContact O-N 2.92Å; A323-T325 PolarHBondContact O-N 2.54Å; T325-A328 PolarHBondContact O-N 3.24Å; T325-V329 HydrophobicContact CG2-CG2 4.46Å; T325-V329 VanDerWaalsContact O-CG2 3.32Å; T325-V329 WeakPolarHBondContact O-CG2 3.47Å; T325-V329 PolarHBondContact O-N 3.3Å
326	V	91.3	Very high	86.5	Confident	79 Å²	79	45.7 Å²	45.7	48%	0.479	27%	0.271	S	S	.	.	H	α-helix	trans	-62.4	-47	177.3	171.6	0	0	0	0	110.8	I322 A323 G324 L330	I322-V326 WeakPolarHBondContact O-CG2 3.47Å; I322-V326 PolarHBondContact O-N 2.98Å; A323-V326 PolarHBondContact O-N 2.94Å; G324-V326 PolarHBondContact O-N 3.23Å; V326-L330 VanDerWaalsContact O-CB 3.26Å; V326-L330 WeakPolarHBondContact O-CB 3.46Å; V326-L330 PolarHBondContact O-N 2.9Å
327	V	89.6	Confident	87	Confident	42 Å²	42	50.5 Å²	50.5	26%	0.255	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-44.8	178.5	179	0	0	0	0	110.9	A323 G324 V329 L330 T331 V369 V821 F825	A323-V327 WeakPolarHBondContact O-CG2 3.44Å; A323-V327 PolarHBondContact O-N 2.82Å; G324-V327 PolarHBondContact O-N 2.97Å; V327-V329 PolarHBondContact O-N 2.85Å; V327-L330 PolarHBondContact O-N 2.92Å; V327-T331 PolarHBondContact O-N 2.88Å; V327-T331 PolarHBondContact O-OG1 2.79Å; V327-V369 HydrophobicContact CG1-CG1 4.17Å; V327-V821 HydrophobicContact CB-CG1 4.2Å; V327-V821 HydrophobicContact CG1-CG1 3.65Å; V327-V821 HydrophobicContact CG2-CG1 4.36Å; V327-F825 HydrophobicContact CG1-CB 4.28Å; V327-F825 HydrophobicContact CG1-CD2 4.45Å; V327-F825 HydrophobicContact CG1-CG 4.42Å
328	A	87.8	Confident	87.4	Confident	5 Å²	5	52.1 Å²	52.1	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-47.5	178.3	0	0	0	0	0	112.8	G324 T325 L330 T331 I332 G366 V369 L370	G324-A328 WeakPolarHBondContact O-CB 3.3Å; G324-A328 PolarHBondContact O-N 3.03Å; T325-A328 PolarHBondContact O-N 3.24Å; A328-L330 VanDerWaalsContact C-N 3.32Å; A328-L330 PolarHBondContact O-N 3.03Å; A328-T331 PolarHBondContact O-N 3.25Å; A328-I332 WeakPolarHBondContact O-CG1 3.14Å; A328-I332 PolarHBondContact O-N 2.86Å; A328-G366 VanDerWaalsContact CB-O 3.31Å; A328-G366 WeakPolarHBondContact CB-O 3.43Å; A328-V369 HydrophobicContact CB-CB 4.5Å; A328-V369 HydrophobicContact CB-CG1 4.33Å; A328-L370 HydrophobicContact CB-CB 3.94Å
329	V	91.2	Very high	87.8	Confident	89 Å²	89	49.9 Å²	49.9	54%	0.539	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-40.6	176.8	171.2	0	0	0	0	111	T325 V327 I332 A333	T325-V329 HydrophobicContact CG2-CG2 4.46Å; T325-V329 VanDerWaalsContact O-CG2 3.32Å; T325-V329 WeakPolarHBondContact O-CG2 3.47Å; T325-V329 PolarHBondContact O-N 3.3Å; V327-V329 PolarHBondContact O-N 2.85Å; V329-I332 PolarHBondContact O-N 2.98Å; V329-A333 WeakPolarHBondContact O-CB 3.35Å; V329-A333 PolarHBondContact O-N 2.81Å
330	L	91.2	Very high	88	Confident	82 Å²	82	46.5 Å²	46.5	43%	0.429	27%	0.273	S	S	.	.	H	α-helix	trans	-66.2	-41.8	178.4	-167.8	150.1	0	0	0	111.3	V326 V327 A328 A333 V334 F825	V326-L330 VanDerWaalsContact O-CB 3.26Å; V326-L330 WeakPolarHBondContact O-CB 3.46Å; V326-L330 PolarHBondContact O-N 2.9Å; V327-L330 PolarHBondContact O-N 2.92Å; A328-L330 VanDerWaalsContact C-N 3.32Å; A328-L330 PolarHBondContact O-N 3.03Å; L330-A333 PolarHBondContact O-N 3.19Å; L330-V334 HydrophobicContact CD2-CG2 3.98Å; L330-V334 VanDerWaalsContact O-CG2 3.28Å; L330-V334 WeakPolarHBondContact O-CG2 3.46Å; L330-V334 PolarHBondContact O-N 2.92Å; L330-F825 HydrophobicContact CD2-CD2 4.22Å; L330-F825 HydrophobicContact CD2-CE2 3.16Å; L330-F825 HydrophobicContact CD2-CZ 3.47Å; L330-F825 VanDerWaalsContact CD2-CZ 3.47Å
331	T	88.1	Confident	88.2	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-48.5	173.8	-54.3	0	0	0	0	111.4	V327 A328 A333 V334 L335 I365 F825 A828	V327-T331 PolarHBondContact O-N 2.88Å; V327-T331 PolarHBondContact O-OG1 2.79Å; A328-T331 PolarHBondContact O-N 3.25Å; T331-A333 VanDerWaalsContact C-N 3.34Å; T331-A333 PolarHBondContact O-N 2.99Å; T331-V334 PolarHBondContact O-N 3.33Å; T331-L335 HydrophobicContact CG2-CD1 4.02Å; T331-L335 WeakPolarHBondContact O-CB 3.22Å; T331-L335 WeakPolarHBondContact O-CG 3.17Å; T331-L335 PolarHBondContact O-N 2.88Å; T331-I365 HydrophobicContact CG2-CG2 4.31Å; T331-F825 WeakPolarHBondContact OG1-CD2 3.35Å; T331-A828 HydrophobicContact CG2-CB 3.69Å
332	I	89.7	Confident	88.3	Confident	37 Å²	37	50.6 Å²	50.6	19%	0.19	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-47.7	177.3	-66.6	165.9	0	0	0	110.1	A328 V329 V334 L335 I336	A328-I332 WeakPolarHBondContact O-CG1 3.14Å; A328-I332 PolarHBondContact O-N 2.86Å; V329-I332 PolarHBondContact O-N 2.98Å; I332-V334 PolarHBondContact O-N 3.3Å; I332-L335 PolarHBondContact O-N 3.4Å; I332-I336 HydrophobicContact CG2-CD1 3.5Å; I332-I336 VanDerWaalsContact CG2-CD1 3.5Å; I332-I336 HydrophobicContact CG2-CG1 4.16Å; I332-I336 WeakPolarHBondContact O-CB 3.41Å; I332-I336 VanDerWaalsContact O-CG1 3.26Å; I332-I336 WeakPolarHBondContact O-CG1 3.46Å; I332-I336 PolarHBondContact O-N 3.5Å
333	A	91.2	Very high	88.2	Confident	53 Å²	53	49 Å²	49	44%	0.438	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-43.3	-178.7	0	0	0	0	0	112.1	V329 L330 T331 L337	V329-A333 WeakPolarHBondContact O-CB 3.35Å; V329-A333 PolarHBondContact O-N 2.81Å; L330-A333 PolarHBondContact O-N 3.19Å; T331-A333 VanDerWaalsContact C-N 3.34Å; T331-A333 PolarHBondContact O-N 2.99Å; A333-L337 WeakPolarHBondContact O-CB 3.5Å; A333-L337 PolarHBondContact O-N 3.48Å
334	V	89.8	Confident	88.1	Confident	50 Å²	50	49.3 Å²	49.3	30%	0.303	27%	0.27	S	S	.	.	H	α-helix	trans	-64.4	-45.4	177.9	171.2	0	0	0	0	111.1	L330 T331 I332 L337 R338	L330-V334 HydrophobicContact CD2-CG2 3.98Å; L330-V334 VanDerWaalsContact O-CG2 3.28Å; L330-V334 WeakPolarHBondContact O-CG2 3.46Å; L330-V334 PolarHBondContact O-N 2.92Å; T331-V334 PolarHBondContact O-N 3.33Å; I332-V334 PolarHBondContact O-N 3.3Å; V334-L337 PolarHBondContact O-N 3.04Å; V334-R338 VanDerWaalsContact O-CB 3.26Å; V334-R338 WeakPolarHBondContact O-CB 3.37Å; V334-R338 PolarHBondContact O-N 3.02Å
335	L	88	Confident	88.1	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-47.9	178.9	-73.5	172	0	0	0	112	T331 I332 L337 Y339 F362 I365 A828	T331-L335 HydrophobicContact CG2-CD1 4.02Å; T331-L335 WeakPolarHBondContact O-CB 3.22Å; T331-L335 WeakPolarHBondContact O-CG 3.17Å; T331-L335 PolarHBondContact O-N 2.88Å; I332-L335 PolarHBondContact O-N 3.4Å; L335-L337 PolarHBondContact O-N 3.25Å; L335-Y339 VanDerWaalsContact O-CB 3.23Å; L335-Y339 WeakPolarHBondContact O-CB 3.44Å; L335-Y339 PolarHBondContact O-N 3.2Å; L335-F362 HydrophobicContact CB-CB 4.01Å; L335-F362 HydrophobicContact CB-CD1 3.83Å; L335-F362 HydrophobicContact CB-CD2 4.13Å; L335-F362 HydrophobicContact CB-CE1 4.31Å; L335-F362 HydrophobicContact CB-CG 3.73Å; L335-F362 HydrophobicContact CD1-CB 4.11Å; L335-F362 HydrophobicContact CD1-CD1 3.88Å; L335-F362 HydrophobicContact CD1-CG 4.23Å; L335-F362 HydrophobicContact CD2-CD1 4.25Å; L335-F362 HydrophobicContact CD2-CE1 4.31Å; L335-F362 HydrophobicContact CG-CD1 4.21Å; L335-I365 HydrophobicContact CD1-CB 4.41Å; L335-I365 HydrophobicContact CD1-CD1 4.22Å; L335-I365 HydrophobicContact CD1-CG2 4.18Å; L335-A828 HydrophobicContact CD1-CB 4.07Å; L335-A828 HydrophobicContact CD2-CB 4Å; L335-A828 WeakPolarHBondContact CD2-O 3.29Å; L335-A828 HydrophobicContact CG-CB 4.18Å
336	I	89.2	Confident	88	Confident	59 Å²	59	56.7 Å²	56.7	30%	0.303	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-46.6	177.4	-69.4	177.6	0	0	0	110.6	I332 S340 F359 F362	I332-I336 HydrophobicContact CG2-CD1 3.5Å; I332-I336 VanDerWaalsContact CG2-CD1 3.5Å; I332-I336 HydrophobicContact CG2-CG1 4.16Å; I332-I336 WeakPolarHBondContact O-CB 3.41Å; I332-I336 VanDerWaalsContact O-CG1 3.26Å; I332-I336 WeakPolarHBondContact O-CG1 3.46Å; I332-I336 PolarHBondContact O-N 3.5Å; I336-S340 VanDerWaalsContact O-CB 3.22Å; I336-S340 WeakPolarHBondContact O-CB 3.25Å; I336-S340 PolarHBondContact O-N 3.39Å; I336-S340 PolarHBondContact O-OG 3.07Å; I336-F359 HydrophobicContact CB-CE1 4.33Å; I336-F359 HydrophobicContact CG1-CD1 3.97Å; I336-F359 HydrophobicContact CG1-CE1 4.24Å; I336-F359 HydrophobicContact CG2-CD1 4.4Å; I336-F359 HydrophobicContact CG2-CE1 3.89Å; I336-F362 HydrophobicContact CG1-CD2 4.26Å
337	L	89.6	Confident	87.6	Confident	109 Å²	109	57.9 Å²	57.9	57%	0.571	31%	0.309	S	S	*	.	H	α-helix	trans	-65.3	-48.7	-177.1	-177.6	65	0	0	0	111.2	A333 V334 L335 S340 I341	A333-L337 WeakPolarHBondContact O-CB 3.5Å; A333-L337 PolarHBondContact O-N 3.48Å; V334-L337 PolarHBondContact O-N 3.04Å; L335-L337 PolarHBondContact O-N 3.25Å; L337-S340 PolarHBondContact O-N 2.9Å; L337-I341 HydrophobicContact CD1-CD1 3.92Å; L337-I341 HydrophobicContact CD1-CG1 4.35Å; L337-I341 HydrophobicContact CG-CD1 3.82Å; L337-I341 WeakPolarHBondContact O-CB 3.46Å; L337-I341 VanDerWaalsContact O-CG1 3.25Å; L337-I341 WeakPolarHBondContact O-CG1 3.36Å; L337-I341 PolarHBondContact O-N 3.07Å
338	R	86.4	Confident	87.1	Confident	74 Å²	74	63.8 Å²	63.8	28%	0.279	33%	0.334	S	S	.	.	H	α-helix	trans	-60.7	-49.7	179	-178.7	175	170.7	-172.8	-13.8	111.2	V334 S340 I341 E342 C829 S830 E832	V334-R338 VanDerWaalsContact O-CB 3.26Å; V334-R338 WeakPolarHBondContact O-CB 3.37Å; V334-R338 PolarHBondContact O-N 3.02Å; R338-S340 VanDerWaalsContact C-N 3.31Å; R338-S340 PolarHBondContact O-N 3.09Å; R338-I341 PolarHBondContact O-N 2.91Å; R338-E342 VanDerWaalsContact CG-OE1 3.3Å; R338-E342 WeakPolarHBondContact CG-OE1 3.47Å; R338-E342 IonicContact CZ-OE1 2.6Å; R338-E342 IonicContact NE-OE1 2.57Å; R338-E342 PolarHBondContact NE-OE1 3.25Å; R338-E342 IonicContact NH2-OE1 2.92Å; R338-E342 WeakPolarHBondContact O-CG 3.45Å; R338-E342 PolarHBondContact O-N 3.26Å; R338-C829 PolarHBondContact NH1-O 3.32Å; R338-S830 PolarHBondContact NH1-O 3.45Å; R338-S830 VanDerWaalsContact NH1-O 3.09Å; R338-E832 IonicContact CZ-OE1 2.71Å; R338-E832 IonicContact NE-OE1 2.7Å; R338-E832 IonicContact NH2-OE1 3.95Å; R338-E832 PolarHBondContact NH2-OE1 2.91Å
339	Y	84.9	Confident	86.6	Confident	20 Å²	20	69 Å²	69	8%	0.078	36%	0.355	C	S	.	.	H	α-helix	trans	-59.4	-42.4	177.9	-176.7	-94	0	0	0	112.2	L335 E342 K343 D355 D358 F359 F362	L335-Y339 VanDerWaalsContact O-CB 3.23Å; L335-Y339 WeakPolarHBondContact O-CB 3.44Å; L335-Y339 PolarHBondContact O-N 3.2Å; Y339-E342 PolarHBondContact O-N 3.45Å; Y339-K343 HydrophobicContact CE1-CD 3.74Å; Y339-K343 HydrophobicContact CE2-CD 4.24Å; Y339-K343 VanDerWaalsContact O-CB 3.25Å; Y339-K343 WeakPolarHBondContact O-CB 3.06Å; Y339-K343 PolarHBondContact O-N 3.25Å; Y339-K343 WeakPolarHBondContact OH-CD 3.25Å; Y339-K343 PolarHBondContact OH-NZ 3.3Å; Y339-D355 HydrophobicContact CE1-CB 4.37Å; Y339-D358 HydrophobicContact CE1-CB 4.39Å; Y339-D358 HydrophobicContact CE2-CB 3.94Å; Y339-D358 WeakPolarHBondContact CE2-OD2 3.28Å; Y339-D358 VanDerWaalsContact CZ-OD2 3.25Å; Y339-D358 PolarHBondContact OH-OD2 3.32Å; Y339-F359 AromaticContact CD1-CE1 3.97Å; Y339-F359 HydrophobicContact CD1-CE1 3.97Å; Y339-F359 AromaticContact CD1-CZ 3.98Å; Y339-F359 HydrophobicContact CD1-CZ 3.98Å; Y339-F359 HydrophobicContact CE1-CZ 4.26Å; Y339-F362 HydrophobicContact CD1-CE2 4.15Å; Y339-F362 AromaticContact CD2-CE2 3.95Å; Y339-F362 HydrophobicContact CD2-CE2 3.95Å; Y339-F362 AromaticContact CD2-CZ 3.68Å; Y339-F362 HydrophobicContact CD2-CZ 3.68Å; Y339-F362 HydrophobicContact CE2-CZ 4.38Å; Y339-F362 AromaticContact CG-CE2 3.63Å; Y339-F362 HydrophobicContact CG-CE2 3.63Å; Y339-F362 AromaticContact CG-CZ 3.84Å; Y339-F362 HydrophobicContact CG-CZ 3.84Å
340	S	87	Confident	86	Confident	32 Å²	32	69 Å²	69	22%	0.224	37%	0.365	C	S	.	.	H	α-helix	trans	-66.5	-40.7	179	-59.5	0	0	0	0	112.2	I336 L337 R338 F344	I336-S340 VanDerWaalsContact O-CB 3.22Å; I336-S340 WeakPolarHBondContact O-CB 3.25Å; I336-S340 PolarHBondContact O-N 3.39Å; I336-S340 PolarHBondContact O-OG 3.07Å; L337-S340 PolarHBondContact O-N 2.9Å; R338-S340 VanDerWaalsContact C-N 3.31Å; R338-S340 PolarHBondContact O-N 3.09Å; S340-F344 VanDerWaalsContact O-CB 3.28Å; S340-F344 WeakPolarHBondContact O-CB 2.98Å; S340-F344 WeakPolarHBondContact O-CD2 3.45Å; S340-F344 PolarHBondContact O-N 3.46Å
341	I	87.7	Confident	85.5	Confident	76 Å²	76	71.2 Å²	71.2	39%	0.39	37%	0.371	S	S	.	.	I	π-helix	trans	-65	-50	176.2	-69.6	168.4	0	0	0	110.1	L337 R338 K343 V345 I346	L337-I341 HydrophobicContact CD1-CD1 3.92Å; L337-I341 HydrophobicContact CD1-CG1 4.35Å; L337-I341 HydrophobicContact CG-CD1 3.82Å; L337-I341 WeakPolarHBondContact O-CB 3.46Å; L337-I341 VanDerWaalsContact O-CG1 3.25Å; L337-I341 WeakPolarHBondContact O-CG1 3.36Å; L337-I341 PolarHBondContact O-N 3.07Å; R338-I341 PolarHBondContact O-N 2.91Å; I341-K343 PolarHBondContact O-N 3.32Å; I341-V345 WeakPolarHBondContact O-CA 3.38Å; I341-V345 WeakPolarHBondContact O-CB 3.49Å; I341-V345 PolarHBondContact O-N 3.29Å; I341-I346 HydrophobicContact CG2-CD1 4.21Å; I341-I346 HydrophobicContact CG2-CG1 4.39Å; I341-I346 PolarHBondContact O-N 2.94Å
342	E	84.6	Confident	84.9	Confident	56 Å²	56	73.2 Å²	73.2	26%	0.262	39%	0.385	S	S	.	.	I	π-helix	trans	-65.5	-43.3	-177	-71.6	172.7	-172.9	0	0	112.3	R338 Y339 I346 Q347	R338-E342 VanDerWaalsContact CG-OE1 3.3Å; R338-E342 WeakPolarHBondContact CG-OE1 3.47Å; R338-E342 IonicContact CZ-OE1 2.6Å; R338-E342 IonicContact NE-OE1 2.57Å; R338-E342 PolarHBondContact NE-OE1 3.25Å; R338-E342 IonicContact NH2-OE1 2.92Å; R338-E342 WeakPolarHBondContact O-CG 3.45Å; R338-E342 PolarHBondContact O-N 3.26Å; Y339-E342 PolarHBondContact O-N 3.45Å; E342-I346 HydrophobicContact CG-CD1 4.43Å; E342-I346 WeakPolarHBondContact O-CB 3.39Å; E342-Q347 WeakPolarHBondContact O-CB 3.43Å; E342-Q347 VanDerWaalsContact O-CG 3.3Å; E342-Q347 WeakPolarHBondContact O-CG 3.4Å; E342-Q347 PolarHBondContact O-N 3.34Å
343	K	83.3	Confident	84.1	Confident	36 Å²	36	75.5 Å²	75.5	16%	0.157	40%	0.401	C	S	.	.	I	π-helix	trans	-83.9	-44.4	-174.3	-161.8	169.2	-169.3	169.9	0	113.9	Y339 I341 Q348 K349 D355	Y339-K343 HydrophobicContact CE1-CD 3.74Å; Y339-K343 HydrophobicContact CE2-CD 4.24Å; Y339-K343 VanDerWaalsContact O-CB 3.25Å; Y339-K343 WeakPolarHBondContact O-CB 3.06Å; Y339-K343 PolarHBondContact O-N 3.25Å; Y339-K343 WeakPolarHBondContact OH-CD 3.25Å; Y339-K343 PolarHBondContact OH-NZ 3.3Å; I341-K343 PolarHBondContact O-N 3.32Å; K343-Q348 PolarHBondContact O-N 3.2Å; K343-K349 HydrophobicContact CG-CB 4.36Å; K343-K349 PolarHBondContact O-N 3.31Å; K343-K349 VanDerWaalsContact O-N 3.15Å; K343-D355 WeakPolarHBondContact CE-OD1 3.34Å; K343-D355 IonicContact NZ-OD1 2.84Å; K343-D355 PolarHBondContact NZ-OD1 2.66Å
344	F	86.5	Confident	83.2	Confident	63 Å²	63	75.6 Å²	75.6	28%	0.276	39%	0.394	S	S	.	.	I	π-helix	trans	-92.7	-34.2	-175.3	-55.9	-58.2	0	0	0	113.1	S340 K349 F351 D355 F359	S340-F344 VanDerWaalsContact O-CB 3.28Å; S340-F344 WeakPolarHBondContact O-CB 2.98Å; S340-F344 WeakPolarHBondContact O-CD2 3.45Å; S340-F344 PolarHBondContact O-N 3.46Å; F344-K349 WeakPolarHBondContact CD1-O 3.2Å; F344-F351 HydrophobicContact CE1-CB 4.2Å; F344-F351 HydrophobicContact CE1-CD2 4.22Å; F344-F351 AromaticContact CZ-CD2 3.8Å; F344-F351 HydrophobicContact CZ-CD2 3.8Å; F344-D355 WeakPolarHBondContact CZ-OD2 3.36Å; F344-F359 HydrophobicContact CE2-CZ 4.28Å
345	V	85.7	Confident	82.7	Confident	98 Å²	98	73.2 Å²	73.2	59%	0.594	38%	0.379	S	S	*	.	I	π-helix	trans	-90.9	-50.7	-177.9	-174.5	0	0	0	0	111.3	I341	I341-V345 WeakPolarHBondContact O-CA 3.38Å; I341-V345 WeakPolarHBondContact O-CB 3.49Å; I341-V345 PolarHBondContact O-N 3.29Å
346	I	85	Confident	82.2	Confident	124 Å²	124	76.5 Å²	76.5	64%	0.636	40%	0.396	S	S	*	.	I	π-helix	trans	-82.3	-51.4	-175.2	-57.9	176.3	0	0	0	111.3	I341 E342	I341-I346 HydrophobicContact CG2-CD1 4.21Å; I341-I346 HydrophobicContact CG2-CG1 4.39Å; I341-I346 PolarHBondContact O-N 2.94Å; E342-I346 HydrophobicContact CG-CD1 4.43Å; E342-I346 WeakPolarHBondContact O-CB 3.39Å
347	Q	84.3	Confident	81.3	Confident	105 Å²	105	76.2 Å²	76.2	49%	0.491	39%	0.394	S	S	.	.	S	Bend	trans	-83.7	-12.8	-177.6	-67.4	178.3	23.4	0	0	114.3	E342 K349	E342-Q347 WeakPolarHBondContact O-CB 3.43Å; E342-Q347 VanDerWaalsContact O-CG 3.3Å; E342-Q347 WeakPolarHBondContact O-CG 3.4Å; E342-Q347 PolarHBondContact O-N 3.34Å; Q347-K349 VanDerWaalsContact C-N 3.27Å; Q347-K349 HydrophobicContact CB-CG 4.28Å; Q347-K349 PolarHBondContact O-N 3.4Å
348	Q	79.1	Confident	80.7	Confident	165 Å²	165	72.9 Å²	72.9	77%	0.771	38%	0.376	S	S	*	.			trans	47.9	40.4	-177.3	-61.8	-147.1	-19.4	0	0	115.2	K343	K343-Q348 PolarHBondContact O-N 3.2Å
349	K	77.1	Confident	80.6	Confident	115 Å²	115	71.4 Å²	71.4	50%	0.5	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-83.7	143.7	175.1	-68.6	-179	-177.4	164.5	0	111.1	K343 F344 Q347	K343-K349 HydrophobicContact CG-CB 4.36Å; K343-K349 PolarHBondContact O-N 3.31Å; K343-K349 VanDerWaalsContact O-N 3.15Å; F344-K349 WeakPolarHBondContact CD1-O 3.2Å; Q347-K349 VanDerWaalsContact C-N 3.27Å; Q347-K349 HydrophobicContact CB-CG 4.28Å; Q347-K349 PolarHBondContact O-N 3.4Å
350	A	78.8	Confident	80.2	Confident	89 Å²	89	72 Å²	72	74%	0.736	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-68.7	146.6	172.8	0	0	0	0	0	111	S352	A350-S352 PolarHBondContact O-N 3.12Å
351	F	80	Confident	79.6	Confident	128 Å²	128	71.8 Å²	71.8	56%	0.561	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-57.9	122.7	176.6	-178.1	-94.6	0	0	0	110.8	F344 D355 I356 F359	F344-F351 HydrophobicContact CE1-CB 4.2Å; F344-F351 HydrophobicContact CE1-CD2 4.22Å; F344-F351 AromaticContact CZ-CD2 3.8Å; F344-F351 HydrophobicContact CZ-CD2 3.8Å; F351-D355 WeakPolarHBondContact CA-OD2 3.41Å; F351-D355 HydrophobicContact CD2-CB 4.22Å; F351-D355 HydrophobicContact CE2-CB 4.03Å; F351-I356 HydrophobicContact CE1-CD1 4.27Å; F351-I356 HydrophobicContact CE1-CG1 4.23Å; F351-I356 HydrophobicContact CZ-CD1 4.14Å; F351-I356 HydrophobicContact CZ-CG1 3.66Å; F351-F359 HydrophobicContact CE2-CE2 4.2Å
352	S	74.9	Confident	79.5	Confident	43 Å²	43	68.5 Å²	68.5	30%	0.301	36%	0.363	S	S	.	.			trans	-117.6	156.9	-179.5	78.7	0	0	0	0	111	A350 N354 D355	A350-S352 PolarHBondContact O-N 3.12Å; S352-N354 PolarHBondContact O-N 3.41Å; S352-N354 VanDerWaalsContact O-N 3.13Å; S352-N354 PolarHBondContact OG-N 3.05Å; S352-D355 PolarHBondContact N-OD2 3.03Å; S352-D355 VanDerWaalsContact O-CB 3.27Å; S352-D355 WeakPolarHBondContact O-CB 3.4Å; S352-D355 PolarHBondContact O-N 2.71Å; S352-D355 PolarHBondContact OG-OD1 2.98Å
353	V	73.1	Confident	79.4	Confident	85 Å²	85	68.8 Å²	68.8	52%	0.515	37%	0.368	S	S	.	.	H	α-helix	trans	-58	-27.7	175.8	179.8	0	0	0	0	111.6	Y104 D355 I356	Y104-V353 HydrophobicContact CE1-CG1 4.31Å; V353-D355 PolarHBondContact O-N 3.43Å; V353-I356 WeakPolarHBondContact O-CB 3.29Å; V353-I356 PolarHBondContact O-N 3.38Å; V353-I356 VanDerWaalsContact O-N 3.15Å
354	N	72.1	Confident	79.1	Confident	55 Å²	55	67.9 Å²	67.9	29%	0.294	37%	0.365	S	S	.	.	H	α-helix	trans	-63.5	-25.7	175.2	-63.7	-14.5	0	0	0	112.7	N106 S352 I356 H357 D358	N106-N354 PolarHBondContact OD1-OD1 2.67Å; S352-N354 PolarHBondContact O-N 3.41Å; S352-N354 VanDerWaalsContact O-N 3.13Å; S352-N354 PolarHBondContact OG-N 3.05Å; N354-I356 VanDerWaalsContact C-N 3.27Å; N354-I356 PolarHBondContact O-N 2.69Å; N354-H357 WeakPolarHBondContact O-CB 3.46Å; N354-H357 PolarHBondContact O-N 3.03Å; N354-D358 PolarHBondContact O-N 3.08Å
355	D	79.6	Confident	78.8	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-70.1	-31.4	178.9	-52	-14	0	0	0	110.4	Y339 K343 F344 F351 S352 V353 H357 D358 F359	Y339-D355 HydrophobicContact CE1-CB 4.37Å; K343-D355 WeakPolarHBondContact CE-OD1 3.34Å; K343-D355 IonicContact NZ-OD1 2.84Å; K343-D355 PolarHBondContact NZ-OD1 2.66Å; F344-D355 WeakPolarHBondContact CZ-OD2 3.36Å; F351-D355 WeakPolarHBondContact CA-OD2 3.41Å; F351-D355 HydrophobicContact CD2-CB 4.22Å; F351-D355 HydrophobicContact CE2-CB 4.03Å; S352-D355 PolarHBondContact N-OD2 3.03Å; S352-D355 VanDerWaalsContact O-CB 3.27Å; S352-D355 WeakPolarHBondContact O-CB 3.4Å; S352-D355 PolarHBondContact O-N 2.71Å; S352-D355 PolarHBondContact OG-OD1 2.98Å; V353-D355 PolarHBondContact O-N 3.43Å; D355-H357 VanDerWaalsContact C-N 3.3Å; D355-H357 PolarHBondContact O-N 3.16Å; D355-D358 PolarHBondContact O-N 2.78Å; D355-F359 HydrophobicContact CB-CE2 4.26Å; D355-F359 WeakPolarHBondContact O-CD2 2.99Å; D355-F359 WeakPolarHBondContact O-CG 2.95Å; D355-F359 PolarHBondContact O-N 2.85Å
356	I	77.5	Confident	78.7	Confident	75 Å²	75	61.5 Å²	61.5	39%	0.385	33%	0.33	S	S	.	.	H	α-helix	trans	-63.5	-40	174.3	-58.4	174.7	0	0	0	110	F351 V353 N354 D358 F359 V360	F351-I356 HydrophobicContact CE1-CD1 4.27Å; F351-I356 HydrophobicContact CE1-CG1 4.23Å; F351-I356 HydrophobicContact CZ-CD1 4.14Å; F351-I356 HydrophobicContact CZ-CG1 3.66Å; V353-I356 WeakPolarHBondContact O-CB 3.29Å; V353-I356 PolarHBondContact O-N 3.38Å; V353-I356 VanDerWaalsContact O-N 3.15Å; N354-I356 VanDerWaalsContact C-N 3.27Å; N354-I356 PolarHBondContact O-N 2.69Å; I356-D358 PolarHBondContact O-N 3.38Å; I356-F359 PolarHBondContact O-N 3.44Å; I356-V360 HydrophobicContact CG2-CG2 4.46Å; I356-V360 VanDerWaalsContact O-CG2 3.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.43Å; I356-V360 PolarHBondContact O-N 2.83Å
357	H	71.4	Confident	78.6	Confident	53 Å²	53	57 Å²	57	25%	0.245	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-44.8	176.1	-177	-76.6	0	0	0	111.3	N354 D355 V360 G361	N354-H357 WeakPolarHBondContact O-CB 3.46Å; N354-H357 PolarHBondContact O-N 3.03Å; D355-H357 VanDerWaalsContact C-N 3.3Å; D355-H357 PolarHBondContact O-N 3.16Å; H357-V360 PolarHBondContact O-N 3.17Å; H357-G361 PolarHBondContact O-N 2.86Å
358	D	76.5	Confident	78.3	Confident	39 Å²	39	52.9 Å²	52.9	21%	0.209	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-41.5	177.4	-71	-30.5	0	0	0	112.2	Y339 N354 D355 I356 V360 G361 F362 R917	Y339-D358 HydrophobicContact CE1-CB 4.39Å; Y339-D358 HydrophobicContact CE2-CB 3.94Å; Y339-D358 WeakPolarHBondContact CE2-OD2 3.28Å; Y339-D358 VanDerWaalsContact CZ-OD2 3.25Å; Y339-D358 PolarHBondContact OH-OD2 3.32Å; N354-D358 PolarHBondContact O-N 3.08Å; D355-D358 PolarHBondContact O-N 2.78Å; I356-D358 PolarHBondContact O-N 3.38Å; D358-V360 VanDerWaalsContact C-N 3.34Å; D358-V360 PolarHBondContact O-N 3.23Å; D358-G361 WeakPolarHBondContact O-CA 3.43Å; D358-G361 PolarHBondContact O-N 3.29Å; D358-G361 VanDerWaalsContact O-N 3.15Å; D358-F362 HydrophobicContact CB-CZ 4.49Å; D358-F362 WeakPolarHBondContact O-CD2 3.2Å; D358-F362 WeakPolarHBondContact O-CG 3.36Å; D358-F362 PolarHBondContact O-N 2.93Å; D358-R917 IonicContact OD1-NH1 3.85Å
359	F	83.1	Confident	78.5	Confident	43 Å²	43	45.1 Å²	45.1	19%	0.189	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-40	175.4	-74	-51.3	0	0	0	112.9	I336 Y339 F344 F351 D355 I356 G361 F362 V363	I336-F359 HydrophobicContact CB-CE1 4.33Å; I336-F359 HydrophobicContact CG1-CD1 3.97Å; I336-F359 HydrophobicContact CG1-CE1 4.24Å; I336-F359 HydrophobicContact CG2-CD1 4.4Å; I336-F359 HydrophobicContact CG2-CE1 3.89Å; Y339-F359 AromaticContact CD1-CE1 3.97Å; Y339-F359 HydrophobicContact CD1-CE1 3.97Å; Y339-F359 AromaticContact CD1-CZ 3.98Å; Y339-F359 HydrophobicContact CD1-CZ 3.98Å; Y339-F359 HydrophobicContact CE1-CZ 4.26Å; F344-F359 HydrophobicContact CE2-CZ 4.28Å; F351-F359 HydrophobicContact CE2-CE2 4.2Å; D355-F359 HydrophobicContact CB-CE2 4.26Å; D355-F359 WeakPolarHBondContact O-CD2 2.99Å; D355-F359 WeakPolarHBondContact O-CG 2.95Å; D355-F359 PolarHBondContact O-N 2.85Å; I356-F359 PolarHBondContact O-N 3.44Å; F359-G361 VanDerWaalsContact C-N 3.32Å; F359-F362 AromaticContact CD1-CD2 3.98Å; F359-F362 HydrophobicContact CD1-CD2 3.98Å; F359-F362 HydrophobicContact CD1-CE2 4.27Å; F359-F362 PolarHBondContact O-N 3.43Å; F359-V363 WeakPolarHBondContact O-CG2 3.37Å; F359-V363 PolarHBondContact O-N 2.92Å; F359-V363 VanDerWaalsContact O-N 3.08Å
360	V	77.2	Confident	78.9	Confident	33 Å²	33	41.6 Å²	41.6	20%	0.2	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-40.8	174.1	171.1	0	0	0	0	110.4	I97 L101 I356 H357 D358 F362 V363 I364	I97-V360 HydrophobicContact CG2-CG1 3.86Å; L101-V360 HydrophobicContact CD1-CB 3.9Å; L101-V360 HydrophobicContact CD1-CG1 3.71Å; L101-V360 HydrophobicContact CD1-CG2 3.91Å; I356-V360 HydrophobicContact CG2-CG2 4.46Å; I356-V360 VanDerWaalsContact O-CG2 3.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.43Å; I356-V360 PolarHBondContact O-N 2.83Å; H357-V360 PolarHBondContact O-N 3.17Å; D358-V360 VanDerWaalsContact C-N 3.34Å; D358-V360 PolarHBondContact O-N 3.23Å; V360-F362 VanDerWaalsContact C-N 3.34Å; V360-F362 PolarHBondContact O-N 3.02Å; V360-V363 PolarHBondContact O-N 3.14Å; V360-V363 VanDerWaalsContact O-N 3.15Å; V360-I364 HydrophobicContact CG1-CD1 3.92Å; V360-I364 HydrophobicContact CG1-CG1 4.38Å; V360-I364 WeakPolarHBondContact O-CG1 3.35Å; V360-I364 PolarHBondContact O-N 3.39Å
361	G	75.1	Confident	78.9	Confident	26 Å²	26	37.7 Å²	37.7	27%	0.268	21%	0.207	S	C	.	.	H	α-helix	trans	-55.1	-45.2	171.9	0	0	0	0	0	112.9	H357 D358 F359 V363 I364 I365	H357-G361 PolarHBondContact O-N 2.86Å; D358-G361 WeakPolarHBondContact O-CA 3.43Å; D358-G361 PolarHBondContact O-N 3.29Å; D358-G361 VanDerWaalsContact O-N 3.15Å; F359-G361 VanDerWaalsContact C-N 3.32Å; G361-V363 VanDerWaalsContact C-N 3.34Å; G361-V363 PolarHBondContact O-N 2.83Å; G361-I364 PolarHBondContact O-N 2.96Å; G361-I365 WeakPolarHBondContact O-CG1 3.41Å; G361-I365 PolarHBondContact O-N 3.38Å
362	F	84.2	Confident	78.9	Confident	7 Å²	7	31.8 Å²	31.8	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-64.3	-37.1	176.7	-56.6	-33	0	0	0	113.1	L335 I336 Y339 D358 F359 V360 I365 G366	L335-F362 HydrophobicContact CB-CB 4.01Å; L335-F362 HydrophobicContact CB-CD1 3.83Å; L335-F362 HydrophobicContact CB-CD2 4.13Å; L335-F362 HydrophobicContact CB-CE1 4.31Å; L335-F362 HydrophobicContact CB-CG 3.73Å; L335-F362 HydrophobicContact CD1-CB 4.11Å; L335-F362 HydrophobicContact CD1-CD1 3.88Å; L335-F362 HydrophobicContact CD1-CG 4.23Å; L335-F362 HydrophobicContact CD2-CD1 4.25Å; L335-F362 HydrophobicContact CD2-CE1 4.31Å; L335-F362 HydrophobicContact CG-CD1 4.21Å; I336-F362 HydrophobicContact CG1-CD2 4.26Å; Y339-F362 HydrophobicContact CD1-CE2 4.15Å; Y339-F362 AromaticContact CD2-CE2 3.95Å; Y339-F362 HydrophobicContact CD2-CE2 3.95Å; Y339-F362 AromaticContact CD2-CZ 3.68Å; Y339-F362 HydrophobicContact CD2-CZ 3.68Å; Y339-F362 HydrophobicContact CE2-CZ 4.38Å; Y339-F362 AromaticContact CG-CE2 3.63Å; Y339-F362 HydrophobicContact CG-CE2 3.63Å; Y339-F362 AromaticContact CG-CZ 3.84Å; Y339-F362 HydrophobicContact CG-CZ 3.84Å; D358-F362 HydrophobicContact CB-CZ 4.49Å; D358-F362 WeakPolarHBondContact O-CD2 3.2Å; D358-F362 WeakPolarHBondContact O-CG 3.36Å; D358-F362 PolarHBondContact O-N 2.93Å; F359-F362 AromaticContact CD1-CD2 3.98Å; F359-F362 HydrophobicContact CD1-CD2 3.98Å; F359-F362 HydrophobicContact CD1-CE2 4.27Å; F359-F362 PolarHBondContact O-N 3.43Å; V360-F362 VanDerWaalsContact C-N 3.34Å; V360-F362 PolarHBondContact O-N 3.02Å; F362-I365 PolarHBondContact O-N 3.14Å; F362-G366 PolarHBondContact O-N 3.08Å
363	V	82.9	Confident	79.3	Confident	62 Å²	62	30 Å²	30	38%	0.376	17%	0.169	S	C	.	.	H	α-helix	trans	-66.1	-41.2	174.4	173.7	0	0	0	0	111	F359 V360 G361 I365 G366 I367	F359-V363 WeakPolarHBondContact O-CG2 3.37Å; F359-V363 PolarHBondContact O-N 2.92Å; F359-V363 VanDerWaalsContact O-N 3.08Å; V360-V363 PolarHBondContact O-N 3.14Å; V360-V363 VanDerWaalsContact O-N 3.15Å; G361-V363 VanDerWaalsContact C-N 3.34Å; G361-V363 PolarHBondContact O-N 2.83Å; V363-I365 VanDerWaalsContact C-N 3.35Å; V363-I365 PolarHBondContact O-N 3.24Å; V363-G366 PolarHBondContact O-N 2.71Å; V363-I367 HydrophobicContact CG1-CD1 3.8Å; V363-I367 HydrophobicContact CG1-CG1 4.38Å; V363-I367 WeakPolarHBondContact O-CG1 3.48Å; V363-I367 PolarHBondContact O-N 3.37Å
364	I	77.9	Confident	79.5	Confident	18 Å²	18	27.5 Å²	27.5	9%	0.092	15%	0.153	C	C	.	.	H	α-helix	trans	-60.7	-43.6	175.3	-68.1	167.2	0	0	0	110.7	A94 V360 G361 G366 I367 T368	A94-I364 HydrophobicContact CB-CG1 4.4Å; V360-I364 HydrophobicContact CG1-CD1 3.92Å; V360-I364 HydrophobicContact CG1-CG1 4.38Å; V360-I364 WeakPolarHBondContact O-CG1 3.35Å; V360-I364 PolarHBondContact O-N 3.39Å; G361-I364 PolarHBondContact O-N 2.96Å; I364-G366 PolarHBondContact O-N 3.35Å; I364-I367 PolarHBondContact O-N 3.47Å; I364-T368 WeakPolarHBondContact O-CB 3.34Å; I364-T368 PolarHBondContact O-N 3.13Å; I364-T368 PolarHBondContact O-OG1 3.4Å
365	I	79.4	Confident	79.6	Confident	25 Å²	25	25 Å²	25	13%	0.128	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-47.2	175	-67.1	168.4	0	0	0	110.3	T331 L335 G361 F362 V363 I367 T368 V369	T331-I365 HydrophobicContact CG2-CG2 4.31Å; L335-I365 HydrophobicContact CD1-CB 4.41Å; L335-I365 HydrophobicContact CD1-CD1 4.22Å; L335-I365 HydrophobicContact CD1-CG2 4.18Å; G361-I365 WeakPolarHBondContact O-CG1 3.41Å; G361-I365 PolarHBondContact O-N 3.38Å; F362-I365 PolarHBondContact O-N 3.14Å; V363-I365 VanDerWaalsContact C-N 3.35Å; V363-I365 PolarHBondContact O-N 3.24Å; I365-I367 PolarHBondContact O-N 3.36Å; I365-T368 WeakPolarHBondContact O-CB 3.43Å; I365-T368 PolarHBondContact O-N 3.47Å; I365-V369 WeakPolarHBondContact O-CG2 3.26Å; I365-V369 PolarHBondContact O-N 3.38Å
366	G	84.4	Confident	79.1	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-62	-42.5	178.2	0	0	0	0	0	114.1	A328 F362 V363 I364 T368 V369 L370	A328-G366 VanDerWaalsContact CB-O 3.31Å; A328-G366 WeakPolarHBondContact CB-O 3.43Å; F362-G366 PolarHBondContact O-N 3.08Å; V363-G366 PolarHBondContact O-N 2.71Å; I364-G366 PolarHBondContact O-N 3.35Å; G366-T368 VanDerWaalsContact C-N 3.32Å; G366-V369 PolarHBondContact O-N 2.96Å; G366-L370 PolarHBondContact O-N 2.84Å
367	I	82.3	Confident	78.7	Confident	30 Å²	30	24 Å²	24	15%	0.154	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-42.8	174	-69.3	165.7	0	0	0	110.3	I90 L91 A94 V363 I364 I365 V369 L370 V371	I90-I367 HydrophobicContact CG2-CD1 3.69Å; I90-I367 HydrophobicContact CG2-CG1 3.96Å; I90-I367 HydrophobicContact CG2-CG2 3.78Å; L91-I367 HydrophobicContact CD2-CG2 3.95Å; L91-I367 HydrophobicContact CG-CG2 4.38Å; A94-I367 HydrophobicContact CB-CD1 4.33Å; V363-I367 HydrophobicContact CG1-CD1 3.8Å; V363-I367 HydrophobicContact CG1-CG1 4.38Å; V363-I367 WeakPolarHBondContact O-CG1 3.48Å; V363-I367 PolarHBondContact O-N 3.37Å; I364-I367 PolarHBondContact O-N 3.47Å; I365-I367 PolarHBondContact O-N 3.36Å; I367-V369 VanDerWaalsContact C-N 3.34Å; I367-V369 PolarHBondContact O-N 3.39Å; I367-L370 WeakPolarHBondContact O-CB 3.34Å; I367-L370 PolarHBondContact O-N 3.05Å; I367-L370 VanDerWaalsContact O-N 3.15Å; I367-V371 HydrophobicContact CG2-CG2 4.36Å; I367-V371 WeakPolarHBondContact O-CG2 3.45Å; I367-V371 PolarHBondContact O-N 2.87Å
368	T	78.3	Confident	78.8	Confident	19 Å²	19	21.7 Å²	21.7	12%	0.117	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-43	177.9	-58.3	0	0	0	0	111.2	I364 I365 G366 L370 V371 I372 M841	I364-T368 WeakPolarHBondContact O-CB 3.34Å; I364-T368 PolarHBondContact O-N 3.13Å; I364-T368 PolarHBondContact O-OG1 3.4Å; I365-T368 WeakPolarHBondContact O-CB 3.43Å; I365-T368 PolarHBondContact O-N 3.47Å; G366-T368 VanDerWaalsContact C-N 3.32Å; T368-L370 VanDerWaalsContact C-N 3.33Å; T368-L370 PolarHBondContact O-N 2.99Å; T368-V371 PolarHBondContact O-N 2.7Å; T368-I372 HydrophobicContact CG2-CD1 3.98Å; T368-I372 WeakPolarHBondContact O-CD1 3.47Å; T368-I372 VanDerWaalsContact O-CG1 3.26Å; T368-I372 WeakPolarHBondContact O-CG1 3.46Å; T368-I372 PolarHBondContact O-N 3.05Å; T368-I372 VanDerWaalsContact O-N 3.13Å; T368-M841 HydrophobicContact CG2-CB 3.97Å; T368-M841 HydrophobicContact CG2-CG 4.22Å
369	V	83.8	Confident	78.5	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-60.7	-41.1	173.7	171.9	0	0	0	0	111.7	V327 A328 I365 G366 I367 A373 V821 A824	V327-V369 HydrophobicContact CG1-CG1 4.17Å; A328-V369 HydrophobicContact CB-CB 4.5Å; A328-V369 HydrophobicContact CB-CG1 4.33Å; I365-V369 WeakPolarHBondContact O-CG2 3.26Å; I365-V369 PolarHBondContact O-N 3.38Å; G366-V369 PolarHBondContact O-N 2.96Å; I367-V369 VanDerWaalsContact C-N 3.34Å; I367-V369 PolarHBondContact O-N 3.39Å; V369-A373 WeakPolarHBondContact O-CB 3.39Å; V369-A373 PolarHBondContact O-N 3.47Å; V369-V821 HydrophobicContact CG1-CG1 4.35Å; V369-A824 HydrophobicContact CG2-CB 3.69Å
370	L	84.1	Confident	77.9	Confident	41 Å²	41	22.8 Å²	22.8	22%	0.215	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-46.8	177.2	177.3	62.9	0	0	0	111.9	A328 G366 I367 T368 I372 A373 V374	A328-L370 HydrophobicContact CB-CB 3.94Å; G366-L370 PolarHBondContact O-N 2.84Å; I367-L370 WeakPolarHBondContact O-CB 3.34Å; I367-L370 PolarHBondContact O-N 3.05Å; I367-L370 VanDerWaalsContact O-N 3.15Å; T368-L370 VanDerWaalsContact C-N 3.33Å; T368-L370 PolarHBondContact O-N 2.99Å; L370-I372 VanDerWaalsContact C-N 3.31Å; L370-I372 PolarHBondContact O-N 2.83Å; L370-A373 PolarHBondContact O-N 2.7Å; L370-V374 HydrophobicContact CD1-CG2 4.28Å; L370-V374 WeakPolarHBondContact O-CG2 3.42Å; L370-V374 PolarHBondContact O-N 3.02Å; L370-V374 VanDerWaalsContact O-N 3.14Å
371	V	78.8	Confident	78	Confident	6 Å²	6	21.2 Å²	21.2	4%	0.036	13%	0.127	C	C	.	.	H	α-helix	trans	-59.6	-43.5	-179.4	169.6	0	0	0	0	110.8	L91 I367 T368 A373 V374	L91-V371 HydrophobicContact CD1-CG1 4.18Å; L91-V371 HydrophobicContact CD1-CG2 3.76Å; L91-V371 HydrophobicContact CD2-CG2 4.17Å; L91-V371 HydrophobicContact CG-CG2 3.96Å; I367-V371 HydrophobicContact CG2-CG2 4.36Å; I367-V371 WeakPolarHBondContact O-CG2 3.45Å; I367-V371 PolarHBondContact O-N 2.87Å; T368-V371 PolarHBondContact O-N 2.7Å; V371-A373 VanDerWaalsContact C-N 3.34Å; V371-A373 PolarHBondContact O-N 2.69Å; V371-V374 PolarHBondContact O-N 3.45Å
372	I	80.8	Confident	78.1	Confident	5 Å²	5	20.3 Å²	20.3	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-70.2	-33.6	179.2	-63.9	165.9	0	0	0	111.8	T368 L370 V374 N817 A820 V821 M841	T368-I372 HydrophobicContact CG2-CD1 3.98Å; T368-I372 WeakPolarHBondContact O-CD1 3.47Å; T368-I372 VanDerWaalsContact O-CG1 3.26Å; T368-I372 WeakPolarHBondContact O-CG1 3.46Å; T368-I372 PolarHBondContact O-N 3.05Å; T368-I372 VanDerWaalsContact O-N 3.13Å; L370-I372 VanDerWaalsContact C-N 3.31Å; L370-I372 PolarHBondContact O-N 2.83Å; I372-V374 VanDerWaalsContact C-N 3.3Å; I372-V374 PolarHBondContact O-N 3.02Å; I372-N817 PolarHBondContact O-ND2 2.88Å; I372-A820 HydrophobicContact CG2-CB 3.59Å; I372-V821 HydrophobicContact CG2-CG2 4.5Å; I372-M841 HydrophobicContact CD1-CB 3.56Å; I372-M841 HydrophobicContact CD1-CE 3.26Å; I372-M841 HydrophobicContact CD1-CG 3.66Å; I372-M841 HydrophobicContact CD1-SD 3.63Å; I372-M841 HydrophobicContact CG1-CB 4.45Å
373	A	83.3	Confident	77.5	Confident	5 Å²	5	21.2 Å²	21.2	4%	0.041	12%	0.122	C	C	.	.	H	α-helix	trans	-66.7	-34.5	177.9	0	0	0	0	0	111.7	I320 G324 V369 L370 V371 P375 N817 V821	I320-A373 WeakPolarHBondContact CG2-O 3.45Å; G324-A373 VanDerWaalsContact CA-CB 3.44Å; V369-A373 WeakPolarHBondContact O-CB 3.39Å; V369-A373 PolarHBondContact O-N 3.47Å; L370-A373 PolarHBondContact O-N 2.7Å; V371-A373 VanDerWaalsContact C-N 3.34Å; V371-A373 PolarHBondContact O-N 2.69Å; A373-P375 WeakPolarHBondContact O-CD 3.46Å; A373-N817 PolarHBondContact O-ND2 3.37Å; A373-V821 HydrophobicContact CB-CG2 3.86Å
374	V	76.6	Confident	77.2	Confident	32 Å²	32	19 Å²	19	19%	0.194	11%	0.108	C	C	.	.	S	Bend	trans	-82.4	118	-177.3	178.3	0	0	0	0	110.8	L370 V371 I372 E376	L370-V374 HydrophobicContact CD1-CG2 4.28Å; L370-V374 WeakPolarHBondContact O-CG2 3.42Å; L370-V374 PolarHBondContact O-N 3.02Å; L370-V374 VanDerWaalsContact O-N 3.14Å; V371-V374 PolarHBondContact O-N 3.45Å; I372-V374 VanDerWaalsContact C-N 3.3Å; I372-V374 PolarHBondContact O-N 3.02Å; V374-E376 HydrophobicContact CG1-CG 4.26Å; V374-E376 PolarHBondContact O-N 2.77Å; V374-E376 VanDerWaalsContact O-N 3.09Å
375	P	73.8	Confident	77.4	Confident	4 Å²	4	18.2 Å²	18.2	3%	0.026	10%	0.104	C	C	.	.			trans	-82.2	88.8	179.6	32.1	-33.4	0	0	0	111.2	I320 A373 L378 Q813	I320-P375 HydrophobicContact CD1-CG 4.19Å; I320-P375 HydrophobicContact CG2-CG 4.39Å; A373-P375 WeakPolarHBondContact O-CD 3.46Å; P375-L378 HydrophobicContact CB-CB 4.29Å; P375-Q813 HydrophobicContact CB-CG 4.32Å
376	E	69.1	Low	77.6	Confident	51 Å²	51	17.4 Å²	17.4	24%	0.238	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.3	-175.7	-68.6	-175.1	172.4	0	0	113.7	T87 V374 L378 P379	T87-E376 WeakPolarHBondContact CB-OE1 3.46Å; T87-E376 PolarHBondContact OG1-OE1 3.27Å; V374-E376 HydrophobicContact CG1-CG 4.26Å; V374-E376 PolarHBondContact O-N 2.77Å; V374-E376 VanDerWaalsContact O-N 3.09Å; E376-L378 VanDerWaalsContact C-N 3.34Å; E376-P379 WeakPolarHBondContact O-CD 3.32Å
377	G	68.8	Low	77.1	Confident	2 Å²	2	17.6 Å²	17.6	2%	0.021	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	5.8	-177.4	0	0	0	0	0	113.3	L380 A381 D849	G377-L380 WeakPolarHBondContact O-CB 3.46Å; G377-L380 PolarHBondContact O-N 2.92Å; G377-A381 WeakPolarHBondContact O-CB 3.49Å; G377-A381 PolarHBondContact O-N 3.39Å; G377-D849 WeakPolarHBondContact CA-OD1 3.34Å; G377-D849 VanDerWaalsContact CA-OD2 3.26Å; G377-D849 WeakPolarHBondContact CA-OD2 3.4Å; G377-D849 PolarHBondContact N-OD1 3.02Å; G377-D849 PolarHBondContact N-OD2 2.81Å
378	L	75.4	Confident	77.1	Confident	5 Å²	5	19.2 Å²	19.2	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-62.2	-50.9	170.6	-177.4	72.5	0	0	0	112.5	L313 P375 E376 L380 A381 V382 F809 L810	L313-L378 HydrophobicContact CB-CD2 4.34Å; L313-L378 HydrophobicContact CD2-CD1 4.06Å; L313-L378 HydrophobicContact CD2-CD2 4.04Å; L313-L378 HydrophobicContact CD2-CG 4.29Å; P375-L378 HydrophobicContact CB-CB 4.29Å; E376-L378 VanDerWaalsContact C-N 3.34Å; L378-L380 PolarHBondContact O-N 3.42Å; L378-A381 PolarHBondContact O-N 3.19Å; L378-V382 VanDerWaalsContact O-CG2 3.31Å; L378-V382 WeakPolarHBondContact O-CG2 3.44Å; L378-V382 PolarHBondContact O-N 3.27Å; L378-F809 HydrophobicContact CD1-CD1 4.29Å; L378-F809 HydrophobicContact CD1-CE1 4.13Å; L378-L810 HydrophobicContact CD1-CD1 3.94Å
379	P	68.8	Low	77.4	Confident	82 Å²	82	18.4 Å²	18.4	53%	0.532	10%	0.101	S	C	.	.	H	α-helix	trans	-57.8	-34.8	170.1	-24.5	34	0	0	0	113.8	E376 T383	E376-P379 WeakPolarHBondContact O-CD 3.32Å; P379-T383 WeakPolarHBondContact O-CB 3.38Å; P379-T383 PolarHBondContact O-N 2.93Å; P379-T383 VanDerWaalsContact O-N 3.1Å; P379-T383 PolarHBondContact O-OG1 3.05Å
380	L	71	Confident	77.3	Confident	23 Å²	23	18.4 Å²	18.4	12%	0.12	10%	0.101	C	C	.	.	H	α-helix	trans	-66.2	-48.6	178	177.6	64.4	0	0	0	111.1	N138 G377 L378 V382 T383 L384	N138-L380 HydrophobicContact CB-CD1 3.9Å; N138-L380 HydrophobicContact CB-CD2 4.45Å; G377-L380 WeakPolarHBondContact O-CB 3.46Å; G377-L380 PolarHBondContact O-N 2.92Å; L378-L380 PolarHBondContact O-N 3.42Å; L380-V382 VanDerWaalsContact C-N 3.33Å; L380-V382 PolarHBondContact O-N 3.3Å; L380-T383 PolarHBondContact O-N 3.12Å; L380-T383 VanDerWaalsContact O-N 3.16Å; L380-L384 HydrophobicContact CD1-CD1 3.83Å; L380-L384 HydrophobicContact CD1-CD2 4.48Å; L380-L384 HydrophobicContact CD1-CG 3.88Å; L380-L384 HydrophobicContact CD2-CD1 4.34Å; L380-L384 HydrophobicContact CG-CD1 3.76Å; L380-L384 HydrophobicContact CG-CG 4.21Å; L380-L384 WeakPolarHBondContact O-CB 3.41Å; L380-L384 WeakPolarHBondContact O-CG 3.49Å; L380-L384 PolarHBondContact O-N 2.8Å
381	A	79	Confident	77.2	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58	-44.3	179	0	0	0	0	0	112	G377 L378 L384 S385 F809 A853	G377-A381 WeakPolarHBondContact O-CB 3.49Å; G377-A381 PolarHBondContact O-N 3.39Å; L378-A381 PolarHBondContact O-N 3.19Å; A381-L384 PolarHBondContact O-N 3.5Å; A381-S385 VanDerWaalsContact O-CB 3.26Å; A381-S385 WeakPolarHBondContact O-CB 3.25Å; A381-S385 PolarHBondContact O-N 3.09Å; A381-F809 HydrophobicContact CB-CD1 3.38Å; A381-F809 HydrophobicContact CB-CE1 3.45Å; A381-F809 VanDerWaalsContact CB-CE1 3.45Å; A381-F809 HydrophobicContact CB-CG 3.94Å; A381-F809 HydrophobicContact CB-CZ 4.07Å; A381-A853 HydrophobicContact CB-CB 3.72Å
382	V	77.4	Confident	77.6	Confident	7 Å²	7	25.5 Å²	25.5	4%	0.042	13%	0.129	C	C	.	.	H	α-helix	trans	-60.2	-48.9	175.9	176.9	0	0	0	0	110.6	L313 L378 L380 S385 L386 I806	L313-V382 HydrophobicContact CD1-CG2 3.18Å; L378-V382 VanDerWaalsContact O-CG2 3.31Å; L378-V382 WeakPolarHBondContact O-CG2 3.44Å; L378-V382 PolarHBondContact O-N 3.27Å; L380-V382 VanDerWaalsContact C-N 3.33Å; L380-V382 PolarHBondContact O-N 3.3Å; V382-S385 PolarHBondContact O-N 3.46Å; V382-L386 HydrophobicContact CG1-CD1 3.91Å; V382-L386 WeakPolarHBondContact O-CB 3.25Å; V382-L386 WeakPolarHBondContact O-CG 3.09Å; V382-L386 PolarHBondContact O-N 2.71Å; V382-I806 HydrophobicContact CB-CD1 4.31Å; V382-I806 HydrophobicContact CG1-CD1 4.21Å; V382-I806 HydrophobicContact CG2-CD1 4.04Å; V382-I806 HydrophobicContact CG2-CG1 4.39Å; V382-I806 HydrophobicContact CG2-CG2 4.39Å
383	T	71.8	Confident	77.9	Confident	25 Å²	25	25.2 Å²	25.2	15%	0.153	13%	0.128	C	C	.	.	H	α-helix	trans	-63.6	-46.4	-178.5	-59.5	0	0	0	0	111.4	K142 P379 L380 L386 A387	K142-T383 HydrophobicContact CD-CG2 3.5Å; K142-T383 HydrophobicContact CG-CG2 3.69Å; P379-T383 WeakPolarHBondContact O-CB 3.38Å; P379-T383 PolarHBondContact O-N 2.93Å; P379-T383 VanDerWaalsContact O-N 3.1Å; P379-T383 PolarHBondContact O-OG1 3.05Å; L380-T383 PolarHBondContact O-N 3.12Å; L380-T383 VanDerWaalsContact O-N 3.16Å; T383-L386 PolarHBondContact O-N 2.88Å; T383-A387 VanDerWaalsContact O-CB 3.29Å; T383-A387 WeakPolarHBondContact O-CB 3.45Å; T383-A387 PolarHBondContact O-N 3.13Å
384	L	77.2	Confident	77.9	Confident	17 Å²	17	27.6 Å²	27.6	9%	0.089	14%	0.139	C	C	.	.	H	α-helix	trans	-64.4	-43.4	179.8	-73.5	175.6	0	0	0	111.3	L380 A381 L386 A387 Y388 L854	L380-L384 HydrophobicContact CD1-CD1 3.83Å; L380-L384 HydrophobicContact CD1-CD2 4.48Å; L380-L384 HydrophobicContact CD1-CG 3.88Å; L380-L384 HydrophobicContact CD2-CD1 4.34Å; L380-L384 HydrophobicContact CG-CD1 3.76Å; L380-L384 HydrophobicContact CG-CG 4.21Å; L380-L384 WeakPolarHBondContact O-CB 3.41Å; L380-L384 WeakPolarHBondContact O-CG 3.49Å; L380-L384 PolarHBondContact O-N 2.8Å; A381-L384 PolarHBondContact O-N 3.5Å; L384-L386 PolarHBondContact O-N 3.18Å; L384-A387 PolarHBondContact O-N 2.96Å; L384-Y388 VanDerWaalsContact O-CB 3.23Å; L384-Y388 WeakPolarHBondContact O-CB 3.37Å; L384-Y388 PolarHBondContact O-N 3.47Å; L384-L854 HydrophobicContact CD1-CD1 4.31Å
385	S	82.3	Confident	78.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-45.6	176.6	-167.8	0	0	0	0	111.4	A381 V382 S389 A857	A381-S385 VanDerWaalsContact O-CB 3.26Å; A381-S385 WeakPolarHBondContact O-CB 3.25Å; A381-S385 PolarHBondContact O-N 3.09Å; V382-S385 PolarHBondContact O-N 3.46Å; S385-S389 WeakPolarHBondContact O-CB 3.49Å; S385-S389 PolarHBondContact O-N 2.77Å; S385-S389 PolarHBondContact O-OG 3.26Å; S385-A857 PolarHBondContact OG-O 2.97Å
386	L	81.9	Confident	79.1	Confident	8 Å²	8	35 Å²	35	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-47.7	177.5	-75.4	170.7	0	0	0	112.2	V382 T383 L384 Y388 S389 V390 C406 E407 V802	V382-L386 HydrophobicContact CG1-CD1 3.91Å; V382-L386 WeakPolarHBondContact O-CB 3.25Å; V382-L386 WeakPolarHBondContact O-CG 3.09Å; V382-L386 PolarHBondContact O-N 2.71Å; T383-L386 PolarHBondContact O-N 2.88Å; L384-L386 PolarHBondContact O-N 3.18Å; L386-Y388 PolarHBondContact O-N 2.9Å; L386-S389 PolarHBondContact O-N 3.32Å; L386-V390 WeakPolarHBondContact O-CB 3.35Å; L386-V390 WeakPolarHBondContact O-CG2 3.27Å; L386-V390 PolarHBondContact O-N 3.02Å; L386-C406 HydrophobicContact CD2-CB 4.11Å; L386-E407 HydrophobicContact CD2-CB 4.36Å; L386-V802 HydrophobicContact CD2-CG1 3.87Å; L386-V802 HydrophobicContact CD2-CG2 4.43Å; L386-V802 HydrophobicContact CG-CG1 4.28Å
387	A	74.9	Confident	80	Confident	5 Å²	5	35.6 Å²	35.6	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-43.3	-178.9	0	0	0	0	0	111.8	T383 L384 K391	T383-A387 VanDerWaalsContact O-CB 3.29Å; T383-A387 WeakPolarHBondContact O-CB 3.45Å; T383-A387 PolarHBondContact O-N 3.13Å; L384-A387 PolarHBondContact O-N 2.96Å; A387-K391 WeakPolarHBondContact O-CB 3.16Å; A387-K391 PolarHBondContact O-N 3.22Å; A387-K391 VanDerWaalsContact O-N 3.11Å
388	Y	81	Confident	81	Confident	65 Å²	65	35.5 Å²	35.5	26%	0.255	17%	0.174	S	C	.	.	H	α-helix	trans	-61.7	-46.8	173.9	-177.6	-92.2	0	0	0	111.6	L384 L386 K391 K392 T858	L384-Y388 VanDerWaalsContact O-CB 3.23Å; L384-Y388 WeakPolarHBondContact O-CB 3.37Å; L384-Y388 PolarHBondContact O-N 3.47Å; L386-Y388 PolarHBondContact O-N 2.9Å; Y388-K391 PolarHBondContact O-N 3.46Å; Y388-K392 HydrophobicContact CD1-CG 4.37Å; Y388-K392 HydrophobicContact CE1-CG 3.98Å; Y388-K392 WeakPolarHBondContact O-CG 3.21Å; Y388-K392 PolarHBondContact O-N 3.29Å; Y388-K392 VanDerWaalsContact O-N 3.15Å; Y388-K392 VanDerWaalsContact OH-CE 3.29Å; Y388-K392 WeakPolarHBondContact OH-CE 3.29Å; Y388-T858 HydrophobicContact CD2-CG2 4.19Å; Y388-T858 HydrophobicContact CG-CG2 4.28Å
389	S	85.4	Confident	81.5	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-64.8	-42.6	-179.1	-61.9	0	0	0	0	111.9	S385 L386 K391 K392 M393 V802	S385-S389 WeakPolarHBondContact O-CB 3.49Å; S385-S389 PolarHBondContact O-N 2.77Å; S385-S389 PolarHBondContact O-OG 3.26Å; L386-S389 PolarHBondContact O-N 3.32Å; S389-K391 PolarHBondContact O-N 3.45Å; S389-K392 CarbonylContact O-C 3.43Å; S389-K392 PolarHBondContact O-N 3.42Å; S389-K392 VanDerWaalsContact O-N 3.11Å; S389-M393 WeakPolarHBondContact O-CB 3.44Å; S389-M393 WeakPolarHBondContact O-CG 3.47Å; S389-M393 PolarHBondContact O-N 2.84Å; S389-V802 VanDerWaalsContact OG-CG2 3.27Å; S389-V802 WeakPolarHBondContact OG-CG2 3.47Å
390	V	82.3	Confident	82.3	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-65	-41.9	179.2	168.6	0	0	0	0	111.4	L149 L386 K392 M393 M394 V400 L403 C406	L149-V390 HydrophobicContact CD1-CB 4.41Å; L149-V390 HydrophobicContact CD1-CG1 3.59Å; L149-V390 HydrophobicContact CD2-CG1 3.8Å; L149-V390 HydrophobicContact CG-CG1 4.34Å; L386-V390 WeakPolarHBondContact O-CB 3.35Å; L386-V390 WeakPolarHBondContact O-CG2 3.27Å; L386-V390 PolarHBondContact O-N 3.02Å; V390-K392 PolarHBondContact O-N 3.05Å; V390-M393 PolarHBondContact O-N 3.09Å; V390-M394 PolarHBondContact O-N 2.99Å; V390-V400 HydrophobicContact CG1-CB 4.01Å; V390-V400 HydrophobicContact CG1-CG2 4.47Å; V390-V400 HydrophobicContact CG2-CB 4.07Å; V390-V400 HydrophobicContact CG2-CG1 4.15Å; V390-V400 HydrophobicContact CG2-CG2 4.18Å; V390-L403 HydrophobicContact CB-CD2 4.27Å; V390-L403 HydrophobicContact CG1-CD2 4.29Å; V390-L403 HydrophobicContact CG2-CD2 3.66Å; V390-C406 HydrophobicContact CG2-CB 4.49Å
391	K	81.5	Confident	82.7	Confident	119 Å²	119	34.3 Å²	34.3	52%	0.517	16%	0.158	S	C	.	.	H	α-helix	trans	-59.8	-34.9	173.7	-176.6	175.8	-178.6	176.5	0	112.3	A387 Y388 S389	A387-K391 WeakPolarHBondContact O-CB 3.16Å; A387-K391 PolarHBondContact O-N 3.22Å; A387-K391 VanDerWaalsContact O-N 3.11Å; Y388-K391 PolarHBondContact O-N 3.46Å; S389-K391 PolarHBondContact O-N 3.45Å
392	K	86.7	Confident	82.4	Confident	77 Å²	77	37.2 Å²	37.2	34%	0.335	17%	0.171	S	C	.	.	H	α-helix	trans	-79.5	-39.2	176.8	-70.8	-76.5	-172.5	163.3	0	112.3	Y388 S389 V390 M394 K395 D396 W798	Y388-K392 HydrophobicContact CD1-CG 4.37Å; Y388-K392 HydrophobicContact CE1-CG 3.98Å; Y388-K392 WeakPolarHBondContact O-CG 3.21Å; Y388-K392 PolarHBondContact O-N 3.29Å; Y388-K392 VanDerWaalsContact O-N 3.15Å; Y388-K392 VanDerWaalsContact OH-CE 3.29Å; Y388-K392 WeakPolarHBondContact OH-CE 3.29Å; S389-K392 CarbonylContact O-C 3.43Å; S389-K392 PolarHBondContact O-N 3.42Å; S389-K392 VanDerWaalsContact O-N 3.11Å; V390-K392 PolarHBondContact O-N 3.05Å; K392-M394 VanDerWaalsContact C-N 3.27Å; K392-M394 PolarHBondContact O-N 3.49Å; K392-K395 WeakPolarHBondContact O-CA 3.31Å; K392-K395 WeakPolarHBondContact O-CB 3.12Å; K392-K395 PolarHBondContact O-N 2.92Å; K392-D396 PolarHBondContact O-N 3.31Å; K392-W798 HydrophobicContact CB-CH2 3.31Å; K392-W798 HydrophobicContact CB-CZ2 3.42Å; K392-W798 VanDerWaalsContact CB-CZ2 3.42Å; K392-W798 HydrophobicContact CB-CZ3 4Å; K392-W798 HydrophobicContact CD-CH2 4.46Å; K392-W798 HydrophobicContact CG-CH2 3.74Å; K392-W798 HydrophobicContact CG-CZ2 4.24Å; K392-W798 HydrophobicContact CG-CZ3 4.46Å
393	M	87.6	Confident	82.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.2	-38.4	174.4	-78.5	-174.4	69.1	0	0	111.9	S389 V390 K395 D396 N397 N398 V400 C406 I782 A795 W798	S389-M393 WeakPolarHBondContact O-CB 3.44Å; S389-M393 WeakPolarHBondContact O-CG 3.47Å; S389-M393 PolarHBondContact O-N 2.84Å; V390-M393 PolarHBondContact O-N 3.09Å; M393-K395 PolarHBondContact O-N 2.84Å; M393-D396 CarbonylContact O-C 3.28Å; M393-D396 VanDerWaalsContact O-CA 3.29Å; M393-D396 WeakPolarHBondContact O-CA 3.35Å; M393-D396 WeakPolarHBondContact O-CB 3.32Å; M393-D396 PolarHBondContact O-N 3.32Å; M393-N397 PolarHBondContact O-N 3.1Å; M393-N398 CarbonylContact C-O 3.19Å; M393-N398 HydrophobicContact CB-CB 4.07Å; M393-N398 HydrophobicContact CE-CB 3.78Å; M393-N398 WeakPolarHBondContact O-CB 3.43Å; M393-N398 PolarHBondContact O-N 3.33Å; M393-V400 HydrophobicContact CB-CG2 4.38Å; M393-V400 HydrophobicContact CE-CG2 3.76Å; M393-V400 HydrophobicContact SD-CG2 3.98Å; M393-C406 HydrophobicContact SD-CB 4.26Å; M393-C406 PolarHBondContact SD-SG 2.93Å; M393-I782 HydrophobicContact CE-CD1 4.47Å; M393-A795 HydrophobicContact CE-CB 3.67Å; M393-W798 HydrophobicContact CG-CB 3.78Å; M393-W798 HydrophobicContact CG-CD2 3.95Å; M393-W798 HydrophobicContact CG-CG 3.47Å; M393-W798 VanDerWaalsContact CG-CG 3.47Å; M393-W798 HydrophobicContact SD-CB 3.65Å; M393-W798 HydrophobicContact SD-CG 4.06Å
394	M	84.3	Confident	82.6	Confident	55 Å²	55	40 Å²	40	27%	0.271	18%	0.181	S	C	.	.	H	α-helix	trans	-59.9	-34.2	174	-170.1	-172.9	75.8	0	0	112.2	L149 N152 V390 K392 D396 N397 N398 L399	L149-M394 HydrophobicContact CD2-SD 4.24Å; N152-M394 HydrophobicContact CB-SD 4.13Å; N152-M394 WeakPolarHBondContact ND2-CE 2.97Å; N152-M394 PolarHBondContact ND2-SD 3.15Å; N152-M394 VanDerWaalsContact ND2-SD 3.4Å; V390-M394 PolarHBondContact O-N 2.99Å; K392-M394 VanDerWaalsContact C-N 3.27Å; K392-M394 PolarHBondContact O-N 3.49Å; M394-D396 VanDerWaalsContact C-N 3.29Å; M394-N397 PolarHBondContact O-N 3.18Å; M394-N398 WeakPolarHBondContact CA-O 3.27Å; M394-N398 PolarHBondContact N-O 3.08Å; M394-L399 HydrophobicContact CG-CD1 4.3Å
395	K	86.5	Confident	83	Confident	152 Å²	152	39.1 Å²	39.1	66%	0.661	18%	0.177	S	C	*	.	H	α-helix	trans	-73.9	-21.7	172.8	-63.5	-172.8	172.7	-163.2	0	113.1	K392 M393 N397	K392-K395 WeakPolarHBondContact O-CA 3.31Å; K392-K395 WeakPolarHBondContact O-CB 3.12Å; K392-K395 PolarHBondContact O-N 2.92Å; M393-K395 PolarHBondContact O-N 2.84Å; K395-N397 VanDerWaalsContact C-N 3.28Å
396	D	88.4	Confident	83.2	Confident	40 Å²	40	39.1 Å²	39.1	21%	0.214	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	27.9	174.5	-86.5	-38.2	0	0	0	111.6	K392 M393 M394 N398 K794 W798	K392-D396 PolarHBondContact O-N 3.31Å; M393-D396 CarbonylContact O-C 3.28Å; M393-D396 VanDerWaalsContact O-CA 3.29Å; M393-D396 WeakPolarHBondContact O-CA 3.35Å; M393-D396 WeakPolarHBondContact O-CB 3.32Å; M393-D396 PolarHBondContact O-N 3.32Å; M394-D396 VanDerWaalsContact C-N 3.29Å; D396-N398 PolarHBondContact O-N 3.13Å; D396-N398 VanDerWaalsContact O-N 3.15Å; D396-N398 PolarHBondContact O-ND2 3.1Å; D396-K794 HydrophobicContact CB-CD 3.93Å; D396-K794 IonicContact OD1-NZ 3.71Å; D396-K794 PolarHBondContact OD1-NZ 3.46Å; D396-W798 PolarHBondContact OD2-NE1 3.22Å
397	N	88.3	Confident	83.3	Confident	62 Å²	62	38.9 Å²	38.9	33%	0.332	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	22.7	178.3	-57.2	-30.4	0	0	0	115.4	M393 M394 K395 T785 D786	M393-N397 PolarHBondContact O-N 3.1Å; M394-N397 PolarHBondContact O-N 3.18Å; K395-N397 VanDerWaalsContact C-N 3.28Å; N397-T785 WeakPolarHBondContact CA-OG1 3.37Å; N397-T785 VanDerWaalsContact CB-OG1 3.26Å; N397-T785 WeakPolarHBondContact CB-OG1 3.43Å; N397-T785 PolarHBondContact O-N 3.43Å; N397-T785 PolarHBondContact O-OG1 3.18Å; N397-D786 HydrophobicContact CB-CB 4Å; N397-D786 VanDerWaalsContact CB-CG 3.45Å; N397-D786 WeakPolarHBondContact CB-OD2 3.23Å; N397-D786 PolarHBondContact ND2-OD2 3.34Å
398	N	88.6	Confident	83.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	101.9	176	-75.4	-86	0	0	0	110	M393 M394 D396 V400 I782 L784 S791	M393-N398 CarbonylContact C-O 3.19Å; M393-N398 HydrophobicContact CB-CB 4.07Å; M393-N398 HydrophobicContact CE-CB 3.78Å; M393-N398 WeakPolarHBondContact O-CB 3.43Å; M393-N398 PolarHBondContact O-N 3.33Å; M394-N398 WeakPolarHBondContact CA-O 3.27Å; M394-N398 PolarHBondContact N-O 3.08Å; D396-N398 PolarHBondContact O-N 3.13Å; D396-N398 VanDerWaalsContact O-N 3.15Å; D396-N398 PolarHBondContact O-ND2 3.1Å; N398-V400 PolarHBondContact O-N 2.94Å; N398-I782 HydrophobicContact CB-CG2 4.36Å; N398-L784 WeakPolarHBondContact OD1-CD2 2.91Å; N398-S791 PolarHBondContact ND2-O 3.07Å; N398-S791 PolarHBondContact OD1-O 2.93Å; N398-S791 VanDerWaalsContact OD1-O 3.13Å
399	L	87.1	Confident	84.4	Confident	4 Å²	4	36 Å²	36	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	105.5	175.7	-177.7	65.2	0	0	0	109.9	I153 E156 M394 I782 I783 T785	I153-L399 HydrophobicContact CG1-CD1 3.76Å; I153-L399 HydrophobicContact CG1-CD2 4.01Å; I153-L399 HydrophobicContact CG1-CG 4.1Å; E156-L399 VanDerWaalsContact OE2-CD2 3.26Å; E156-L399 WeakPolarHBondContact OE2-CD2 3.43Å; M394-L399 HydrophobicContact CG-CD1 4.3Å; L399-I782 CarbonylContact O-C 3.56Å; L399-I782 WeakPolarHBondContact O-CA 3.38Å; L399-I783 HydrophobicContact CB-CB 4.24Å; L399-I783 HydrophobicContact CD2-CD1 4.38Å; L399-I783 PolarHBondContact N-O 3.02Å; L399-I783 PolarHBondContact O-N 2.78Å; L399-T785 HydrophobicContact CB-CG2 4.05Å
400	V	85.2	Confident	84.6	Confident	7 Å²	7	36 Å²	36	4%	0.042	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	112.9	-179.6	-176.6	0	0	0	0	109.7	V390 M393 N398 H402 I782	V390-V400 HydrophobicContact CG1-CB 4.01Å; V390-V400 HydrophobicContact CG1-CG2 4.47Å; V390-V400 HydrophobicContact CG2-CB 4.07Å; V390-V400 HydrophobicContact CG2-CG1 4.15Å; V390-V400 HydrophobicContact CG2-CG2 4.18Å; M393-V400 HydrophobicContact CB-CG2 4.38Å; M393-V400 HydrophobicContact CE-CG2 3.76Å; M393-V400 HydrophobicContact SD-CG2 3.98Å; N398-V400 PolarHBondContact O-N 2.94Å; V400-H402 WeakPolarHBondContact CG1-O 3.35Å; V400-I782 HydrophobicContact CG1-CG1 4.43Å; V400-I782 HydrophobicContact CG2-CD1 4.46Å; V400-I782 HydrophobicContact CG2-CG1 4.33Å
401	R	78.4	Confident	84.9	Confident	75 Å²	75	36.1 Å²	36.1	28%	0.283	17%	0.165	S	C	.	.	S	Bend	trans	-79.8	-40.5	174.5	-63.1	178.6	70.4	-137.7	7.1	111.3	K777 E778 S780 D781 I783	R401-K777 WeakPolarHBondContact CD-O 3.36Å; R401-K777 VanDerWaalsContact CZ-O 3.3Å; R401-K777 PolarHBondContact NH1-O 3.03Å; R401-E778 VanDerWaalsContact NH1-CA 3.33Å; R401-E778 PolarHBondContact NH1-O 3.29Å; R401-S780 PolarHBondContact NH1-O 2.97Å; R401-D781 WeakPolarHBondContact CB-O 3.29Å; R401-D781 PolarHBondContact N-O 3.44Å; R401-I783 HydrophobicContact CG-CD1 4.19Å; R401-I783 HydrophobicContact CG-CG1 4.42Å
402	H	73.3	Confident	85.3	Confident	61 Å²	61	30.5 Å²	30.5	28%	0.282	14%	0.141	S	C	.	.	S	Bend	trans	-115.2	115.1	-179.7	-66.5	-48	0	0	0	111.2	V400 Y404 A405 D781	V400-H402 WeakPolarHBondContact CG1-O 3.35Å; H402-Y404 VanDerWaalsContact C-N 3.27Å; H402-Y404 HydrophobicContact CB-CD1 4.09Å; H402-Y404 HydrophobicContact CB-CE1 3.55Å; H402-Y404 HydrophobicContact CB-CE2 4.35Å; H402-Y404 AromaticContact CG-CE1 3.97Å; H402-Y404 PolarHBondContact O-N 3.11Å; H402-Y404 VanDerWaalsContact O-N 3.17Å; H402-A405 VanDerWaalsContact O-CB 3.24Å; H402-A405 WeakPolarHBondContact O-CB 3.38Å; H402-A405 PolarHBondContact O-N 2.93Å; H402-D781 HydrophobicContact CB-CB 4.21Å; H402-D781 IonicContact CD2-OD1 2.73Å; H402-D781 PolarHBondContact CD2-OD1 3.49Å; H402-D781 IonicContact CG-OD1 3.96Å; H402-D781 PolarHBondContact N-O 2.96Å
403	L	74.2	Confident	85.6	Confident	40 Å²	40	27.3 Å²	27.3	21%	0.209	13%	0.128	C	C	.	.	H	α-helix	trans	-57.8	-35.2	-172.6	-67.5	-173.4	0	0	0	114.7	F146 V390 A405 C406	F146-L403 HydrophobicContact CD1-CD1 4.45Å; F146-L403 HydrophobicContact CE1-CD1 3.18Å; F146-L403 HydrophobicContact CE1-CD2 4.27Å; F146-L403 HydrophobicContact CE1-CG 3.9Å; F146-L403 HydrophobicContact CE2-CD1 4.45Å; F146-L403 HydrophobicContact CZ-CD1 3.18Å; F146-L403 HydrophobicContact CZ-CG 4.35Å; V390-L403 HydrophobicContact CB-CD2 4.27Å; V390-L403 HydrophobicContact CG1-CD2 4.29Å; V390-L403 HydrophobicContact CG2-CD2 3.66Å; L403-A405 PolarHBondContact O-N 3.5Å; L403-C406 WeakPolarHBondContact O-CB 3.37Å; L403-C406 PolarHBondContact O-N 3.19Å
404	Y	79.6	Confident	85.8	Confident	49 Å²	49	27.3 Å²	27.3	19%	0.192	13%	0.128	C	C	.	.	H	α-helix	trans	-64.4	-24.4	-179.1	63	-102.9	0	0	0	112.4	S307 H402 C406 E407 T408 D781	S307-Y404 WeakPolarHBondContact OG-CB 3.15Å; H402-Y404 VanDerWaalsContact C-N 3.27Å; H402-Y404 HydrophobicContact CB-CD1 4.09Å; H402-Y404 HydrophobicContact CB-CE1 3.55Å; H402-Y404 HydrophobicContact CB-CE2 4.35Å; H402-Y404 AromaticContact CG-CE1 3.97Å; H402-Y404 PolarHBondContact O-N 3.11Å; H402-Y404 VanDerWaalsContact O-N 3.17Å; Y404-C406 VanDerWaalsContact C-N 3.27Å; Y404-C406 PolarHBondContact O-N 3.38Å; Y404-E407 PolarHBondContact O-N 3.18Å; Y404-T408 WeakPolarHBondContact O-CB 3.46Å; Y404-T408 PolarHBondContact O-N 3.42Å; Y404-T408 PolarHBondContact O-OG1 2.63Å; Y404-D781 PolarHBondContact OH-OD1 3.25Å
405	A	85	Confident	86.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.4	-32.1	-179.1	0	0	0	0	0	111.9	H402 L403 E407 T408 M409 V764 D781 I782	H402-A405 VanDerWaalsContact O-CB 3.24Å; H402-A405 WeakPolarHBondContact O-CB 3.38Å; H402-A405 PolarHBondContact O-N 2.93Å; L403-A405 PolarHBondContact O-N 3.5Å; A405-E407 PolarHBondContact O-N 3.39Å; A405-T408 PolarHBondContact O-N 2.93Å; A405-M409 VanDerWaalsContact O-CB 3.3Å; A405-M409 WeakPolarHBondContact O-CB 3.5Å; A405-M409 PolarHBondContact O-N 3.25Å; A405-V764 HydrophobicContact CB-CG1 4.21Å; A405-V764 HydrophobicContact CB-CG2 4.3Å; A405-D781 HydrophobicContact CB-CB 3.45Å; A405-D781 VanDerWaalsContact CB-CB 3.45Å; A405-I782 HydrophobicContact CB-CD1 4.21Å; A405-I782 HydrophobicContact CB-CG1 4.09Å
406	C	86	Confident	86.7	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.3	-49	174.5	179.7	0	0	0	0	111.2	L386 V390 M393 L403 Y404 G799	L386-C406 HydrophobicContact CD2-CB 4.11Å; V390-C406 HydrophobicContact CG2-CB 4.49Å; M393-C406 HydrophobicContact SD-CB 4.26Å; M393-C406 PolarHBondContact SD-SG 2.93Å; L403-C406 WeakPolarHBondContact O-CB 3.37Å; L403-C406 PolarHBondContact O-N 3.19Å; Y404-C406 VanDerWaalsContact C-N 3.27Å; Y404-C406 PolarHBondContact O-N 3.38Å; C406-G799 WeakPolarHBondContact O-CA 3.47Å
407	E	85.8	Confident	86.9	Confident	3 Å²	3	15.6 Å²	15.6	1%	0.014	7%	0.074	C	C	.	.	H	α-helix	trans	-69.8	-44.9	178.5	177.9	-120.6	132.6	0	0	112.1	S307 L309 L386 Y404 A405 M409 G410 V802	S307-E407 VanDerWaalsContact CB-OE2 3.3Å; S307-E407 WeakPolarHBondContact CB-OE2 3.46Å; S307-E407 PolarHBondContact OG-OE2 2.98Å; L309-E407 HydrophobicContact CB-CG 3.95Å; L309-E407 WeakPolarHBondContact CB-OE1 3.33Å; L309-E407 WeakPolarHBondContact CB-OE2 3.32Å; L309-E407 HydrophobicContact CD2-CG 4.03Å; L309-E407 PolarHBondContact N-OE1 2.88Å; L309-E407 PolarHBondContact N-OE2 2.9Å; L386-E407 HydrophobicContact CD2-CB 4.36Å; Y404-E407 PolarHBondContact O-N 3.18Å; A405-E407 PolarHBondContact O-N 3.39Å; E407-M409 VanDerWaalsContact C-N 3.26Å; E407-M409 PolarHBondContact O-N 2.92Å; E407-G410 PolarHBondContact O-N 3.36Å; E407-V802 HydrophobicContact CB-CG1 4.48Å
408	T	87.5	Confident	86.8	Confident	9 Å²	9	13.3 Å²	13.3	6%	0.055	6%	0.061	C	C	.	.	H	α-helix	trans	-60.6	-37.5	-178	-56.9	0	0	0	0	111.5	Y404 A405 G410 N411 V745 D763 V764	Y404-T408 WeakPolarHBondContact O-CB 3.46Å; Y404-T408 PolarHBondContact O-N 3.42Å; Y404-T408 PolarHBondContact O-OG1 2.63Å; A405-T408 PolarHBondContact O-N 2.93Å; T408-G410 PolarHBondContact O-N 2.76Å; T408-N411 PolarHBondContact O-N 3.06Å; T408-V745 HydrophobicContact CG2-CG1 3.89Å; T408-D763 HydrophobicContact CG2-CB 3.89Å; T408-V764 HydrophobicContact CG2-CG2 3.83Å
409	M	90.3	Very high	86.7	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.9	-27.6	176.3	-167	60.4	-172.3	0	0	113.2	A405 E407 N411 A412 I415 A747 V764 F766 I792 A795 V796	A405-M409 VanDerWaalsContact O-CB 3.3Å; A405-M409 WeakPolarHBondContact O-CB 3.5Å; A405-M409 PolarHBondContact O-N 3.25Å; E407-M409 VanDerWaalsContact C-N 3.26Å; E407-M409 PolarHBondContact O-N 2.92Å; M409-N411 PolarHBondContact O-N 2.91Å; M409-A412 HydrophobicContact CE-CB 4.12Å; M409-A412 VanDerWaalsContact O-CB 3.3Å; M409-A412 WeakPolarHBondContact O-CB 2.91Å; M409-A412 PolarHBondContact O-N 2.94Å; M409-A412 VanDerWaalsContact O-N 3.15Å; M409-A412 HydrophobicContact SD-CB 3.89Å; M409-I415 HydrophobicContact CE-CD1 4.24Å; M409-I415 HydrophobicContact CE-CG1 4.47Å; M409-A747 HydrophobicContact CE-CB 3.98Å; M409-A747 HydrophobicContact SD-CB 3.84Å; M409-V764 HydrophobicContact CB-CG2 4.34Å; M409-V764 HydrophobicContact SD-CB 4.39Å; M409-V764 HydrophobicContact SD-CG1 4.3Å; M409-F766 HydrophobicContact CE-CE2 3.63Å; M409-F766 HydrophobicContact CE-CZ 3.73Å; M409-F766 HydrophobicContact CG-CZ 4.12Å; M409-F766 HydrophobicContact SD-CE2 3.57Å; M409-F766 VanDerWaalsContact SD-CE2 3.57Å; M409-F766 HydrophobicContact SD-CZ 3.7Å; M409-I792 HydrophobicContact CE-CG2 3.53Å; M409-A795 HydrophobicContact CG-CB 4.17Å; M409-V796 HydrophobicContact CE-CG2 3.34Å; M409-V796 HydrophobicContact CG-CG2 4Å; M409-V796 HydrophobicContact SD-CG2 4.35Å
410	G	89	Confident	86.2	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.01	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.3	174.1	0	0	0	0	0	113.5	E407 T408 G799 R800	E407-G410 PolarHBondContact O-N 3.36Å; T408-G410 PolarHBondContact O-N 2.76Å; G410-G799 VanDerWaalsContact CA-C 3.49Å; G410-R800 VanDerWaalsContact O-CG 3.3Å; G410-R800 WeakPolarHBondContact O-CG 3.48Å; G410-R800 PolarHBondContact O-NE 2.85Å
411	N	89	Confident	85.6	Confident	4 Å²	4	14.9 Å²	14.9	2%	0.021	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	3.1	179.5	-66.4	-47	0	0	0	113.9	T408 M409 T413 V745 Y871	T408-N411 PolarHBondContact O-N 3.06Å; M409-N411 PolarHBondContact O-N 2.91Å; N411-T413 PolarHBondContact O-N 2.86Å; N411-V745 HydrophobicContact CB-CG2 4.15Å; N411-V745 WeakPolarHBondContact O-CB 3.44Å; N411-Y871 WeakPolarHBondContact OD1-CB 3.2Å
412	A	90.5	Very high	85.6	Confident	1 Å²	1	11.4 Å²	11.4	1%	0.008	6%	0.057	C	C	.	.			trans	-54.6	133.4	-179.8	0	0	0	0	0	111.9	M409 I656	M409-A412 HydrophobicContact CE-CB 4.12Å; M409-A412 VanDerWaalsContact O-CB 3.3Å; M409-A412 WeakPolarHBondContact O-CB 2.91Å; M409-A412 PolarHBondContact O-N 2.94Å; M409-A412 VanDerWaalsContact O-N 3.15Å; M409-A412 HydrophobicContact SD-CB 3.89Å; A412-I656 WeakPolarHBondContact O-CG1 2.98Å
413	T	92.1	Very high	86.3	Confident	10 Å²	10	8.5 Å²	8.5	6%	0.061	4%	0.044	C	C	.	.			trans	-118	-25.6	178.3	60.9	0	0	0	0	112.1	N411 I656 T657 E744 V745 P870	N411-T413 PolarHBondContact O-N 2.86Å; T413-I656 WeakPolarHBondContact O-CA 3.29Å; T413-T657 PolarHBondContact O-N 2.92Å; T413-T657 PolarHBondContact O-OG1 2.77Å; T413-E744 WeakPolarHBondContact CB-OE2 3.46Å; T413-E744 WeakPolarHBondContact OG1-CA 3.5Å; T413-E744 WeakPolarHBondContact OG1-CB 3.25Å; T413-E744 PolarHBondContact OG1-OE2 3.38Å; T413-V745 PolarHBondContact N-O 2.79Å; T413-V745 PolarHBondContact OG1-N 3.18Å; T413-V745 PolarHBondContact OG1-O 3.43Å; T413-P870 HydrophobicContact CG2-CB 4.25Å; T413-P870 HydrophobicContact CG2-CG 3.72Å
414	A	92.8	Very high	86.9	Confident	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138	177.4	0	0	0	0	0	110.6	T657 V745 V746 A747	A414-T657 WeakPolarHBondContact CA-O 3.27Å; A414-V745 PolarHBondContact N-O 2.89Å; A414-V746 HydrophobicContact CB-CG2 4.48Å; A414-A747 PolarHBondContact O-N 2.91Å
415	I	95.3	Very high	86.8	Confident	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	113.9	170.7	-63	170.2	0	0	0	107.2	M409 I656 T657 V658 R659 A747 T749 F789 I792	M409-I415 HydrophobicContact CE-CD1 4.24Å; M409-I415 HydrophobicContact CE-CG1 4.47Å; I415-I656 HydrophobicContact CD1-CG2 3.67Å; I415-I656 HydrophobicContact CG1-CG2 3.68Å; I415-T657 PolarHBondContact N-O 3.14Å; I415-V658 CarbonylContact O-C 3.44Å; I415-V658 WeakPolarHBondContact O-CA 3.23Å; I415-R659 PolarHBondContact O-N 3.15Å; I415-A747 CarbonylContact C-O 3.59Å; I415-A747 WeakPolarHBondContact CA-O 3.21Å; I415-A747 HydrophobicContact CG1-CB 4.24Å; I415-T749 HydrophobicContact CG2-CG2 4.49Å; I415-F789 HydrophobicContact CG2-CE2 4.46Å; I415-F789 HydrophobicContact CG2-CZ 4.43Å; I415-I792 HydrophobicContact CD1-CG2 3.96Å
416	C	94.4	Very high	86.5	Confident	2 Å²	2	7.1 Å²	7.1	1%	0.014	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	100.9	170.3	-60	0	0	0	0	107.9	R659 V661 A747 V748 T749	C416-R659 CarbonylContact C-O 3.43Å; C416-R659 WeakPolarHBondContact CA-O 3.35Å; C416-V661 HydrophobicContact CB-CG2 4.35Å; C416-A747 PolarHBondContact N-O 3.26Å; C416-V748 HydrophobicContact CB-CG2 4.22Å; C416-V748 VanDerWaalsContact O-CA 3.32Å; C416-V748 WeakPolarHBondContact O-CA 3.42Å; C416-T749 PolarHBondContact O-N 3.21Å
417	S	92	Very high	86.2	Confident	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.5	-177.1	-170.4	0	0	0	0	110.6	T422 R659 M660 V661 T749	S417-T422 WeakPolarHBondContact OG-CG2 3.29Å; S417-R659 PolarHBondContact N-O 2.71Å; S417-M660 WeakPolarHBondContact O-CA 3.37Å; S417-V661 PolarHBondContact O-N 3.45Å; S417-T749 VanDerWaalsContact CA-OG1 3.26Å; S417-T749 WeakPolarHBondContact CA-OG1 3.46Å; S417-T749 PolarHBondContact OG-OG1 3.27Å
418	D	87.4	Confident	86.2	Confident	14 Å²	14	8.9 Å²	8.9	8%	0.075	5%	0.052	C	C	.	.			trans	-65.9	160.2	157.7	-157.6	73.9	0	0	0	110.2	T420 T422 V661 K727 T749	D418-T420 PolarHBondContact OD2-N 2.77Å; D418-T422 WeakPolarHBondContact O-CB 3.41Å; D418-V661 VanDerWaalsContact OD1-O 3.09Å; D418-K727 IonicContact OD1-NZ 3.29Å; D418-K727 PolarHBondContact OD1-NZ 3.32Å; D418-T749 PolarHBondContact N-OG1 3.32Å
419	K	84.9	Confident	86.3	Confident	7 Å²	7	10.4 Å²	10.4	3%	0.03	6%	0.061	C	C	.	.	S	Bend	trans	-93.3	-54.4	-177.9	-174.6	-136.1	72	147.5	0	110.6	L423 T424 D638 M660 T662 D664 I672	K419-L423 PolarHBondContact O-N 2.99Å; K419-T424 HydrophobicContact CG-CG2 4.23Å; K419-T424 PolarHBondContact O-N 2.81Å; K419-T424 VanDerWaalsContact O-N 3.11Å; K419-T424 PolarHBondContact O-OG1 3.13Å; K419-D638 IonicContact NZ-OD2 3.22Å; K419-M660 HydrophobicContact CB-CG 4.15Å; K419-M660 HydrophobicContact CB-SD 4.19Å; K419-M660 HydrophobicContact CG-CE 4.26Å; K419-M660 HydrophobicContact CG-SD 3.99Å; K419-T662 HydrophobicContact CB-CG2 4.46Å; K419-D664 WeakPolarHBondContact CD-OD2 3.44Å; K419-D664 WeakPolarHBondContact CE-OD2 3.34Å; K419-D664 IonicContact NZ-OD2 3.05Å; K419-D664 PolarHBondContact NZ-OD2 3.45Å; K419-I672 HydrophobicContact CD-CD1 3.65Å; K419-I672 HydrophobicContact CG-CD1 4.32Å; K419-I672 HydrophobicContact CG-CG2 4.14Å
420	T	77.3	Confident	86.3	Confident	37 Å²	37	10.9 Å²	10.9	23%	0.227	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	133.6	-171.9	-56.2	0	0	0	0	108.9	D418 T422 N426	D418-T420 PolarHBondContact OD2-N 2.77Å; T420-T422 PolarHBondContact O-N 2.73Å; T420-N426 HydrophobicContact CG2-CB 4.36Å; T420-N426 VanDerWaalsContact CG2-OD1 3.3Å; T420-N426 WeakPolarHBondContact CG2-OD1 3.44Å
421	G	73	Confident	86.4	Confident	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	-33	-178.6	0	0	0	0	0	114.7	T424 R641	G421-T424 CarbonylContact C-O 3.15Å; G421-R641 PolarHBondContact O-NH2 3.23Å
422	T	79.1	Confident	86.5	Confident	1 Å²	1	13.9 Å²	13.9	1%	0.006	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-68.6	-177.9	-52.4	0	0	0	0	112.2	S417 D418 T420 R641 T749 M768 F789	S417-T422 WeakPolarHBondContact OG-CG2 3.29Å; D418-T422 WeakPolarHBondContact O-CB 3.41Å; T420-T422 PolarHBondContact O-N 2.73Å; T422-R641 WeakPolarHBondContact O-CD 3.32Å; T422-R641 PolarHBondContact O-NE 2.85Å; T422-T749 HydrophobicContact CG2-CG2 4.33Å; T422-M768 HydrophobicContact CG2-CE 3.84Å; T422-M768 HydrophobicContact CG2-SD 4.45Å; T422-F789 HydrophobicContact CG2-CD2 4.16Å
423	L	87.1	Confident	86.6	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-30.7	-178.1	-62.3	176.7	0	0	0	111.6	K419 R641 V644 I648 M660 I678 F789	K419-L423 PolarHBondContact O-N 2.99Å; L423-R641 PolarHBondContact O-N 3.43Å; L423-V644 HydrophobicContact CB-CG1 4.48Å; L423-V644 HydrophobicContact CD2-CG1 3.78Å; L423-I648 HydrophobicContact CD2-CD1 4.28Å; L423-M660 HydrophobicContact CD1-CE 3.74Å; L423-M660 HydrophobicContact CD1-CG 4.31Å; L423-I678 HydrophobicContact CD1-CD1 4.13Å; L423-F789 HydrophobicContact CD2-CD2 3.7Å; L423-F789 HydrophobicContact CD2-CE2 3.85Å; L423-F789 HydrophobicContact CD2-CG 4.33Å
424	T	86.6	Confident	86.6	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-104.9	164.1	176.6	62.3	0	0	0	0	111	K419 G421 N426 D638 P639 R641 I672	K419-T424 HydrophobicContact CG-CG2 4.23Å; K419-T424 PolarHBondContact O-N 2.81Å; K419-T424 VanDerWaalsContact O-N 3.11Å; K419-T424 PolarHBondContact O-OG1 3.13Å; G421-T424 CarbonylContact C-O 3.15Å; T424-N426 PolarHBondContact O-N 2.7Å; T424-D638 WeakPolarHBondContact CB-OD1 3.2Å; T424-D638 WeakPolarHBondContact CB-OD2 3.19Å; T424-D638 HydrophobicContact CG2-CB 4.49Å; T424-D638 VanDerWaalsContact OG1-CG 3.22Å; T424-D638 PolarHBondContact OG1-OD1 3.29Å; T424-D638 PolarHBondContact OG1-OD2 3.34Å; T424-P639 WeakPolarHBondContact CA-O 3.39Å; T424-P639 WeakPolarHBondContact CB-O 3.3Å; T424-R641 PolarHBondContact O-NE 3.43Å; T424-I672 HydrophobicContact CG2-CD1 4.23Å; T424-I672 HydrophobicContact CG2-CG2 4.15Å
425	T	78.8	Confident	86.5	Confident	26 Å²	26	14.2 Å²	14.2	16%	0.16	8%	0.081	C	C	.	.			trans	-79.1	-9.3	-175.1	62.4	0	0	0	0	113.4	S427 K480 D638 P639 R641	T425-S427 PolarHBondContact O-N 2.71Å; T425-K480 VanDerWaalsContact CG2-NZ 3.32Å; T425-K480 PolarHBondContact OG1-NZ 2.78Å; T425-D638 PolarHBondContact N-OD1 3Å; T425-P639 PolarHBondContact N-O 3.21Å; T425-P639 WeakPolarHBondContact OG1-CG 3.42Å; T425-R641 HydrophobicContact CG2-CB 4.44Å; T425-R641 HydrophobicContact CG2-CG 3.64Å
426	N	77	Confident	86	Confident	34 Å²	34	17.6 Å²	17.6	18%	0.182	10%	0.095	C	C	.	.	S	Bend	trans	55.8	31.1	-176.2	-156.9	6.4	0	0	0	112.5	T420 T424 K487 D638	T420-N426 HydrophobicContact CG2-CB 4.36Å; T420-N426 VanDerWaalsContact CG2-OD1 3.3Å; T420-N426 WeakPolarHBondContact CG2-OD1 3.44Å; T424-N426 PolarHBondContact O-N 2.7Å; N426-K487 PolarHBondContact ND2-NZ 2.86Å; N426-K487 WeakPolarHBondContact O-CD 3.43Å; N426-K487 PolarHBondContact O-NZ 3.37Å; N426-K487 PolarHBondContact OD1-NZ 3.08Å; N426-D638 WeakPolarHBondContact CA-OD1 3.37Å; N426-D638 PolarHBondContact N-OD1 2.96Å
427	S	80.6	Confident	85.5	Confident	17 Å²	17	19 Å²	19	12%	0.119	11%	0.11	C	C	.	.			trans	-129.4	103.3	178.3	176.9	0	0	0	0	106.3	T425 Q483 P639	T425-S427 PolarHBondContact O-N 2.71Å; S427-Q483 PolarHBondContact OG-NE2 3.06Å; S427-Q483 PolarHBondContact OG-OE1 2.89Å; S427-P639 WeakPolarHBondContact O-CD 3.14Å
428	M	86	Confident	85.2	Confident	24 Å²	24	23.9 Å²	23.9	12%	0.118	13%	0.133	C	C	.	.			trans	-73.4	135	-174.3	-69	-72.5	-92.2	0	0	108.9	Q483 K487 A491 I636 Q637 D638	M428-Q483 PolarHBondContact O-NE2 3.18Å; M428-K487 HydrophobicContact CB-CB 4.29Å; M428-K487 WeakPolarHBondContact CB-O 3.38Å; M428-K487 HydrophobicContact CG-CB 3.88Å; M428-A491 HydrophobicContact CB-CB 3.78Å; M428-A491 WeakPolarHBondContact O-CA 3.05Å; M428-A491 WeakPolarHBondContact O-CB 3.33Å; M428-I636 HydrophobicContact CB-CG2 3.77Å; M428-I636 HydrophobicContact CE-CB 4.48Å; M428-I636 HydrophobicContact CE-CG2 3.66Å; M428-I636 HydrophobicContact CG-CG2 4.44Å; M428-I636 HydrophobicContact SD-CG2 4.24Å; M428-Q637 WeakPolarHBondContact CA-O 3.34Å; M428-D638 HydrophobicContact SD-CB 3.71Å
429	T	88.7	Confident	85.2	Confident	41 Å²	41	26.2 Å²	26.2	25%	0.252	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	145.1	179.8	59.4	0	0	0	0	110.8	V431 I636 Q637	T429-V431 PolarHBondContact O-N 2.84Å; T429-I636 CarbonylContact O-C 3.59Å; T429-I636 WeakPolarHBondContact O-CA 3.49Å; T429-Q637 PolarHBondContact N-O 3.38Å; T429-Q637 PolarHBondContact O-N 3.19Å
430	V	91.4	Very high	85.3	Confident	10 Å²	10	27.9 Å²	27.9	6%	0.061	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.5	169.6	179.9	0	0	0	0	108	Q432 L443 L492 F495 V634 I636	V430-Q432 WeakPolarHBondContact CG1-O 3.38Å; V430-L443 HydrophobicContact CG1-CD2 4.01Å; V430-L492 HydrophobicContact CG2-CD2 4.34Å; V430-F495 HydrophobicContact CB-CB 3.92Å; V430-F495 HydrophobicContact CB-CD2 4.06Å; V430-F495 HydrophobicContact CB-CG 4.02Å; V430-F495 HydrophobicContact CG1-CD2 4.05Å; V430-F495 HydrophobicContact CG1-CE2 4.42Å; V430-F495 HydrophobicContact CG1-CG 4.21Å; V430-F495 HydrophobicContact CG2-CB 3.65Å; V430-F495 HydrophobicContact CG2-CG 4.01Å; V430-V634 HydrophobicContact CG1-CB 3.93Å; V430-V634 HydrophobicContact CG1-CG1 4.15Å; V430-V634 HydrophobicContact CG2-CB 4.38Å; V430-I636 HydrophobicContact CG2-CG1 4.08Å
431	V	89.8	Confident	85.7	Confident	45 Å²	45	35.3 Å²	35.3	27%	0.273	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-36.6	-178.9	178.9	0	0	0	0	111.1	T429 G635 Q637	T429-V431 PolarHBondContact O-N 2.84Å; V431-G635 PolarHBondContact N-O 3.11Å; V431-Q637 HydrophobicContact CB-CB 4.46Å; V431-Q637 HydrophobicContact CG2-CB 3.64Å
432	Q	92.3	Very high	86.2	Confident	23 Å²	23	43.8 Å²	43.8	11%	0.107	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.7	179.3	-57.2	-168.2	-4.6	0	0	110.4	V430 H439 F440 M585 L590 G635	V430-Q432 WeakPolarHBondContact CG1-O 3.38Å; Q432-H439 PolarHBondContact OE1-CE1 3Å; Q432-H439 PolarHBondContact OE1-NE2 2.98Å; Q432-F440 VanDerWaalsContact CA-O 3.31Å; Q432-F440 WeakPolarHBondContact CA-O 3.21Å; Q432-F440 WeakPolarHBondContact CB-O 3.39Å; Q432-M585 HydrophobicContact CB-CE 3.95Å; Q432-L590 HydrophobicContact CB-CD1 4.05Å; Q432-L590 HydrophobicContact CG-CD1 3.64Å; Q432-G635 PolarHBondContact N-O 2.74Å; Q432-G635 PolarHBondContact O-N 2.72Å
433	S	92.2	Very high	86.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	153.2	175.3	60.5	0	0	0	0	111.2	L435 F440 I633	S433-L435 WeakPolarHBondContact OG-CD1 3.38Å; S433-F440 PolarHBondContact N-O 3.2Å; S433-F440 PolarHBondContact O-N 3.15Å; S433-I633 CarbonylContact C-O 3.52Å; S433-I633 WeakPolarHBondContact CA-O 3.14Å
434	Y	92.5	Very high	86.1	Confident	17 Å²	17	47.2 Å²	47.2	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	110.8	167.8	-174.2	-96.1	0	0	0	107.2	G437 Q438 H439 I559 L577 V581 S632 I633	Y434-G437 WeakPolarHBondContact CE2-O 3.34Å; Y434-G437 VanDerWaalsContact CZ-C 3.45Å; Y434-G437 VanDerWaalsContact OH-C 3.23Å; Y434-G437 WeakPolarHBondContact OH-CA 3.36Å; Y434-G437 PolarHBondContact OH-O 3.29Å; Y434-Q438 WeakPolarHBondContact CA-O 3.3Å; Y434-Q438 WeakPolarHBondContact CD2-O 3.26Å; Y434-H439 HydrophobicContact CD2-CB 4.05Å; Y434-I559 HydrophobicContact CE1-CD1 4.02Å; Y434-L577 HydrophobicContact CD1-CD2 4.24Å; Y434-L577 HydrophobicContact CD2-CD2 4.42Å; Y434-L577 HydrophobicContact CE1-CD2 3.62Å; Y434-L577 HydrophobicContact CE2-CD2 3.84Å; Y434-V581 HydrophobicContact CD2-CG1 4.06Å; Y434-V581 HydrophobicContact CD2-CG2 4.02Å; Y434-V581 HydrophobicContact CE2-CG2 4.19Å; Y434-V581 HydrophobicContact CG-CG1 4.29Å; Y434-S632 WeakPolarHBondContact O-CA 3.44Å; Y434-I633 HydrophobicContact CD1-CD1 4.34Å; Y434-I633 PolarHBondContact N-O 3.38Å; Y434-I633 PolarHBondContact O-N 3.4Å
435	L	89.5	Confident	85.9	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.5	-173.5	-65.6	171	0	0	0	107.7	S433 G437 Q438 F440 P444 L449 L453 L457 F495	S433-L435 WeakPolarHBondContact OG-CD1 3.38Å; L435-G437 PolarHBondContact O-N 3.27Å; L435-G437 VanDerWaalsContact O-N 3.15Å; L435-Q438 PolarHBondContact N-O 3.4Å; L435-Q438 PolarHBondContact O-N 2.9Å; L435-Q438 VanDerWaalsContact O-O 3.06Å; L435-F440 HydrophobicContact CB-CD2 4.23Å; L435-F440 HydrophobicContact CB-CE2 4.16Å; L435-F440 WeakPolarHBondContact O-CE2 3.48Å; L435-P444 HydrophobicContact CD1-CG 4.04Å; L435-L449 HydrophobicContact CB-CD2 4.29Å; L435-L449 HydrophobicContact CD1-CD1 4.42Å; L435-L449 HydrophobicContact CD1-CD2 4.12Å; L435-L453 HydrophobicContact CB-CD2 4.31Å; L435-L453 HydrophobicContact CD2-CD2 4.23Å; L435-L457 HydrophobicContact CD2-CD1 4Å; L435-L457 HydrophobicContact CD2-CD2 4.18Å; L435-F495 HydrophobicContact CD1-CZ 4.4Å
436	K	85.1	Confident	86.2	Confident	71 Å²	71	53.4 Å²	53.4	31%	0.309	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	40.1	173.9	-163.2	-171.1	176.2	177.1	0	112.9	Q438 P450 E562	K436-Q438 PolarHBondContact O-N 2.83Å; K436-Q438 VanDerWaalsContact O-N 3.11Å; K436-P450 HydrophobicContact CG-CG 4.5Å; K436-E562 WeakPolarHBondContact CE-O 3.47Å; K436-E562 VanDerWaalsContact CG-CA 3.49Å; K436-E562 HydrophobicContact CG-CB 4.04Å; K436-E562 HydrophobicContact CG-CG 4.43Å; K436-E562 VanDerWaalsContact CG-O 3.29Å; K436-E562 WeakPolarHBondContact CG-O 3.49Å
437	G	83.4	Confident	86.5	Confident	32 Å²	32	60.4 Å²	60.4	33%	0.33	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	-0.3	-177.3	0	0	0	0	0	116.6	Y434 L435	Y434-G437 WeakPolarHBondContact CE2-O 3.34Å; Y434-G437 VanDerWaalsContact CZ-C 3.45Å; Y434-G437 VanDerWaalsContact OH-C 3.23Å; Y434-G437 WeakPolarHBondContact OH-CA 3.36Å; Y434-G437 PolarHBondContact OH-O 3.29Å; L435-G437 PolarHBondContact O-N 3.27Å; L435-G437 VanDerWaalsContact O-N 3.15Å
438	Q	86.5	Confident	86.6	Confident	102 Å²	102	64.8 Å²	64.8	48%	0.477	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.3	-173.7	-62.6	-175	10.5	0	0	113	Y434 L435 K436 F440	Y434-Q438 WeakPolarHBondContact CA-O 3.3Å; Y434-Q438 WeakPolarHBondContact CD2-O 3.26Å; L435-Q438 PolarHBondContact N-O 3.4Å; L435-Q438 PolarHBondContact O-N 2.9Å; L435-Q438 VanDerWaalsContact O-O 3.06Å; K436-Q438 PolarHBondContact O-N 2.83Å; K436-Q438 VanDerWaalsContact O-N 3.11Å; Q438-F440 HydrophobicContact CB-CE2 3.95Å; Q438-F440 HydrophobicContact CB-CZ 4.26Å
439	H	88.1	Confident	86.5	Confident	62 Å²	62	64.1 Å²	64.1	29%	0.287	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	106.2	175.6	179.1	-149.2	0	0	0	111	Q432 Y434 M585	Q432-H439 PolarHBondContact OE1-CE1 3Å; Q432-H439 PolarHBondContact OE1-NE2 2.98Å; Y434-H439 HydrophobicContact CD2-CB 4.05Å; H439-M585 WeakPolarHBondContact CD2-CE 3.39Å; H439-M585 WeakPolarHBondContact NE2-CE 3.4Å
440	F	87.5	Confident	86.4	Confident	42 Å²	42	63.3 Å²	63.3	18%	0.184	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	118.4	178.1	-69.4	-83.6	0	0	0	111.2	Q432 S433 L435 Q438 K442 P444	Q432-F440 VanDerWaalsContact CA-O 3.31Å; Q432-F440 WeakPolarHBondContact CA-O 3.21Å; Q432-F440 WeakPolarHBondContact CB-O 3.39Å; S433-F440 PolarHBondContact N-O 3.2Å; S433-F440 PolarHBondContact O-N 3.15Å; L435-F440 HydrophobicContact CB-CD2 4.23Å; L435-F440 HydrophobicContact CB-CE2 4.16Å; L435-F440 WeakPolarHBondContact O-CE2 3.48Å; Q438-F440 HydrophobicContact CB-CE2 3.95Å; Q438-F440 HydrophobicContact CB-CZ 4.26Å; F440-K442 WeakPolarHBondContact CB-O 3.4Å; F440-P444 HydrophobicContact CD1-CB 4.08Å; F440-P444 HydrophobicContact CD1-CG 4.39Å; F440-P444 HydrophobicContact CD2-CG 4.4Å; F440-P444 HydrophobicContact CE1-CB 3.99Å; F440-P444 HydrophobicContact CG-CG 4.32Å; F440-P444 HydrophobicContact CZ-CB 4.33Å
441	R	84.2	Confident	86.2	Confident	193 Å²	193	72.4 Å²	72.4	73%	0.728	33%	0.334	S	S	*	.	S	Bend	trans	-82.1	-18.1	173	-68.5	-174.7	-179	-179.8	0.3	113.8
442	K	83.2	Confident	86	Confident	179 Å²	179	73.1 Å²	73.1	78%	0.778	34%	0.339	S	S	*	.	S	Bend	trans	-128.5	144.3	171	-71	-175.2	177.2	-177.7	0	107	F440	F440-K442 WeakPolarHBondContact CB-O 3.4Å
443	L	81.9	Confident	85.8	Confident	62 Å²	62	72.1 Å²	72.1	33%	0.325	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-58.6	132.1	-177.1	-55.6	179.9	0	0	0	110.8	V430 F495	V430-L443 HydrophobicContact CG1-CD2 4.01Å; L443-F495 HydrophobicContact CD1-CD2 4.05Å; L443-F495 HydrophobicContact CD1-CE2 4.3Å; L443-F495 HydrophobicContact CD2-CD2 3.98Å; L443-F495 HydrophobicContact CD2-CE2 3.69Å; L443-F495 HydrophobicContact CG-CE2 4.42Å
444	P	82.6	Confident	85.6	Confident	11 Å²	11	73.7 Å²	73.7	7%	0.071	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-70.5	161	174.5	30.1	-33.9	0	0	0	111.3	L435 F440 L449	L435-P444 HydrophobicContact CD1-CG 4.04Å; F440-P444 HydrophobicContact CD1-CB 4.08Å; F440-P444 HydrophobicContact CD1-CG 4.39Å; F440-P444 HydrophobicContact CD2-CG 4.4Å; F440-P444 HydrophobicContact CE1-CB 3.99Å; F440-P444 HydrophobicContact CG-CG 4.32Å; F440-P444 HydrophobicContact CZ-CB 4.33Å; P444-L449 HydrophobicContact CG-CD2 4.22Å
445	L	83.5	Confident	85.4	Confident	119 Å²	119	78.8 Å²	78.8	62%	0.623	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-70.7	143.8	170.9	-71.7	164.4	0	0	0	109.6	E447 E448	L445-E447 PolarHBondContact O-N 2.81Å; L445-E448 HydrophobicContact CB-CG 4.14Å; L445-E448 PolarHBondContact O-N 3.06Å; L445-E448 VanDerWaalsContact O-N 3.12Å
446	W	84.3	Confident	85.3	Confident	36 Å²	36	79.1 Å²	79.1	14%	0.136	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-57.2	-38.9	-177.4	-172.8	-110	0	0	0	112.4	E448 L449 Q454 V458 L496 M499 Q501	W446-E448 PolarHBondContact O-N 2.83Å; W446-L449 HydrophobicContact CE3-CD1 4.04Å; W446-L449 HydrophobicContact CZ3-CD1 4.25Å; W446-L449 PolarHBondContact O-N 3.46Å; W446-Q454 HydrophobicContact CD2-CG 4.26Å; W446-Q454 HydrophobicContact CH2-CB 3.92Å; W446-Q454 HydrophobicContact CH2-CG 4.15Å; W446-Q454 HydrophobicContact CZ2-CB 3.46Å; W446-Q454 VanDerWaalsContact CZ2-CB 3.46Å; W446-Q454 HydrophobicContact CZ2-CG 3.69Å; W446-Q454 PolarHBondContact O-NE2 2.93Å; W446-V458 HydrophobicContact CH2-CG2 3.79Å; W446-V458 HydrophobicContact CZ2-CG2 3.99Å; W446-L496 HydrophobicContact CH2-CD2 4.47Å; W446-M499 HydrophobicContact CB-CB 4.39Å; W446-M499 WeakPolarHBondContact CB-O 3.41Å; W446-M499 HydrophobicContact CD2-CB 4.28Å; W446-M499 HydrophobicContact CE3-CB 3.63Å; W446-M499 HydrophobicContact CE3-CE 3.88Å; W446-M499 HydrophobicContact CE3-CG 4.15Å; W446-M499 HydrophobicContact CE3-SD 3.57Å; W446-M499 VanDerWaalsContact CE3-SD 3.57Å; W446-M499 HydrophobicContact CZ3-CB 4.27Å; W446-M499 HydrophobicContact CZ3-CE 3.51Å; W446-M499 HydrophobicContact CZ3-SD 3.81Å; W446-Q501 HydrophobicContact CD2-CG 3.9Å; W446-Q501 VanDerWaalsContact CE2-CG 3.41Å; W446-Q501 HydrophobicContact CE3-CG 4.35Å; W446-Q501 HydrophobicContact CH2-CG 3.92Å; W446-Q501 HydrophobicContact CZ2-CG 3.42Å; W446-Q501 VanDerWaalsContact CZ2-CG 3.42Å; W446-Q501 HydrophobicContact CZ3-CG 4.36Å; W446-Q501 VanDerWaalsContact NE1-NE2 3.12Å
447	E	82.5	Confident	85.6	Confident	182 Å²	182	75.7 Å²	75.7	85%	0.85	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-64.5	-20.8	-179	-61.9	178.5	-179.5	0	0	114.1	L445 L449	L445-E447 PolarHBondContact O-N 2.81Å; E447-L449 VanDerWaalsContact C-N 3.3Å
448	E	82.6	Confident	86	Confident	109 Å²	109	75.1 Å²	75.1	51%	0.509	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-80.8	-12.1	-179.7	-64.8	176.7	171.5	0	0	113.1	L445 W446	L445-E448 HydrophobicContact CB-CG 4.14Å; L445-E448 PolarHBondContact O-N 3.06Å; L445-E448 VanDerWaalsContact O-N 3.12Å; W446-E448 PolarHBondContact O-N 2.83Å
449	L	84.1	Confident	86.2	Confident	10 Å²	10	72.7 Å²	72.7	5%	0.052	33%	0.33	C	S	.	.	S	Bend	trans	-89	140.5	-176.2	-60.8	175.6	0	0	0	111.6	L435 P444 W446 E447 L453 Q454 L457 M499	L435-L449 HydrophobicContact CB-CD2 4.29Å; L435-L449 HydrophobicContact CD1-CD1 4.42Å; L435-L449 HydrophobicContact CD1-CD2 4.12Å; P444-L449 HydrophobicContact CG-CD2 4.22Å; W446-L449 HydrophobicContact CE3-CD1 4.04Å; W446-L449 HydrophobicContact CZ3-CD1 4.25Å; W446-L449 PolarHBondContact O-N 3.46Å; E447-L449 VanDerWaalsContact C-N 3.3Å; L449-L453 HydrophobicContact CD2-CD2 4.18Å; L449-Q454 HydrophobicContact CB-CG 3.82Å; L449-Q454 PolarHBondContact O-NE2 3.31Å; L449-Q454 VanDerWaalsContact O-NE2 3.07Å; L449-L457 HydrophobicContact CD1-CD1 4.22Å; L449-M499 HydrophobicContact CD1-SD 4.5Å
450	P	87.5	Confident	86.3	Confident	23 Å²	23	69.8 Å²	69.8	15%	0.149	32%	0.316	C	S	.	.			trans	-58.2	142.2	172.5	-22.9	32.8	0	0	0	112	K436 T452 L453 Q454 E562	K436-P450 HydrophobicContact CG-CG 4.5Å; P450-T452 VanDerWaalsContact C-N 3.28Å; P450-T452 PolarHBondContact O-N 3.26Å; P450-L453 HydrophobicContact CB-CB 4.35Å; P450-L453 WeakPolarHBondContact O-CA 3.4Å; P450-L453 WeakPolarHBondContact O-CB 3.42Å; P450-L453 PolarHBondContact O-N 2.79Å; P450-Q454 WeakPolarHBondContact O-CG 3.24Å; P450-Q454 PolarHBondContact O-N 2.98Å; P450-E562 WeakPolarHBondContact CG-O 3.44Å
451	R	86.3	Confident	86.5	Confident	201 Å²	201	67.8 Å²	67.8	76%	0.758	31%	0.307	S	S	*	.	H	α-helix	trans	-54.6	-41.5	-178.2	-70	-174.5	179.4	-178	-0.5	113.2	L453 Q454 E455	R451-L453 VanDerWaalsContact C-N 3.31Å; R451-L453 PolarHBondContact O-N 2.98Å; R451-Q454 WeakPolarHBondContact O-CB 3.22Å; R451-Q454 PolarHBondContact O-N 2.93Å; R451-E455 WeakPolarHBondContact O-CG 3.48Å; R451-E455 PolarHBondContact O-N 2.99Å
452	T	85.4	Confident	86.8	Confident	60 Å²	60	58.6 Å²	58.6	37%	0.368	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-40.6	177.1	-44.7	0	0	0	0	111.6	P450 M456 G564	P450-T452 VanDerWaalsContact C-N 3.28Å; P450-T452 PolarHBondContact O-N 3.26Å; T452-M456 WeakPolarHBondContact O-CB 3.03Å; T452-M456 WeakPolarHBondContact O-CG 3.48Å; T452-M456 PolarHBondContact O-N 2.85Å; T452-G564 WeakPolarHBondContact CG2-O 3.48Å
453	L	88	Confident	87.1	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-69.8	-39.4	177.2	-177	62.4	0	0	0	111.5	L435 L449 P450 R451 M456 L457 L560 V631	L435-L453 HydrophobicContact CB-CD2 4.31Å; L435-L453 HydrophobicContact CD2-CD2 4.23Å; L449-L453 HydrophobicContact CD2-CD2 4.18Å; P450-L453 HydrophobicContact CB-CB 4.35Å; P450-L453 WeakPolarHBondContact O-CA 3.4Å; P450-L453 WeakPolarHBondContact O-CB 3.42Å; P450-L453 PolarHBondContact O-N 2.79Å; R451-L453 VanDerWaalsContact C-N 3.31Å; R451-L453 PolarHBondContact O-N 2.98Å; L453-M456 PolarHBondContact O-N 3.23Å; L453-L457 HydrophobicContact CD1-CD1 4.39Å; L453-L457 HydrophobicContact CD1-CG 4.25Å; L453-L457 HydrophobicContact CG-CD1 4.06Å; L453-L457 HydrophobicContact CG-CG 4.37Å; L453-L457 WeakPolarHBondContact O-CB 3.33Å; L453-L457 WeakPolarHBondContact O-CG 3.48Å; L453-L457 PolarHBondContact O-N 3.21Å; L453-L560 HydrophobicContact CD1-CD1 3.76Å; L453-V631 HydrophobicContact CD1-CG1 3.73Å
454	Q	88.4	Confident	87.4	Confident	34 Å²	34	47.1 Å²	47.1	16%	0.159	22%	0.22	C	C	.	.	H	α-helix	trans	-57.4	-53.4	174.9	-71.8	173.6	-10.6	0	0	111.1	W446 L449 P450 R451 M456 L457 V458	W446-Q454 HydrophobicContact CD2-CG 4.26Å; W446-Q454 HydrophobicContact CH2-CB 3.92Å; W446-Q454 HydrophobicContact CH2-CG 4.15Å; W446-Q454 HydrophobicContact CZ2-CB 3.46Å; W446-Q454 VanDerWaalsContact CZ2-CB 3.46Å; W446-Q454 HydrophobicContact CZ2-CG 3.69Å; W446-Q454 PolarHBondContact O-NE2 2.93Å; L449-Q454 HydrophobicContact CB-CG 3.82Å; L449-Q454 PolarHBondContact O-NE2 3.31Å; L449-Q454 VanDerWaalsContact O-NE2 3.07Å; P450-Q454 WeakPolarHBondContact O-CG 3.24Å; P450-Q454 PolarHBondContact O-N 2.98Å; R451-Q454 WeakPolarHBondContact O-CB 3.22Å; R451-Q454 PolarHBondContact O-N 2.93Å; Q454-M456 PolarHBondContact O-N 2.8Å; Q454-L457 PolarHBondContact O-N 2.9Å; Q454-V458 WeakPolarHBondContact O-CG2 3.4Å; Q454-V458 PolarHBondContact O-N 2.91Å; Q454-V458 VanDerWaalsContact O-N 3.1Å
455	E	87.9	Confident	87.6	Confident	123 Å²	123	46.7 Å²	46.7	58%	0.575	22%	0.218	S	C	*	.	H	α-helix	trans	-58	-51	178.1	-71.4	175.2	-170.9	0	0	110.6	R451 L457 V458 Y459	R451-E455 WeakPolarHBondContact O-CG 3.48Å; R451-E455 PolarHBondContact O-N 2.99Å; E455-L457 VanDerWaalsContact C-N 3.31Å; E455-L457 PolarHBondContact O-N 2.77Å; E455-V458 PolarHBondContact O-N 3.33Å; E455-V458 VanDerWaalsContact O-N 3.16Å; E455-Y459 VanDerWaalsContact O-CD2 3.31Å; E455-Y459 WeakPolarHBondContact O-CD2 3.39Å; E455-Y459 PolarHBondContact O-N 3.21Å
456	M	89.1	Confident	87.4	Confident	8 Å²	8	42.9 Å²	42.9	4%	0.039	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-35	-178.4	-68.1	-53.8	-66.7	0	0	113.1	T452 L453 Q454 C460 R542 Y597 V631	T452-M456 WeakPolarHBondContact O-CB 3.03Å; T452-M456 WeakPolarHBondContact O-CG 3.48Å; T452-M456 PolarHBondContact O-N 2.85Å; L453-M456 PolarHBondContact O-N 3.23Å; Q454-M456 PolarHBondContact O-N 2.8Å; M456-C460 WeakPolarHBondContact O-CB 3.47Å; M456-C460 PolarHBondContact O-N 2.78Å; M456-C460 PolarHBondContact O-SG 2.67Å; M456-R542 PolarHBondContact SD-NH1 3.42Å; M456-Y597 HydrophobicContact CE-CD1 3.41Å; M456-Y597 VanDerWaalsContact CE-CD1 3.41Å; M456-Y597 HydrophobicContact CE-CD2 3.39Å; M456-Y597 HydrophobicContact CE-CE1 3.67Å; M456-Y597 HydrophobicContact CE-CE2 3.66Å; M456-Y597 HydrophobicContact CE-CG 3.24Å; M456-V631 HydrophobicContact CB-CG1 4.2Å
457	L	91	Very high	87.2	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.3	-45	174.2	-77.3	171.7	0	0	0	111.9	L435 L449 L453 Q454 E455 I461 L595 V631 S632	L435-L457 HydrophobicContact CD2-CD1 4Å; L435-L457 HydrophobicContact CD2-CD2 4.18Å; L449-L457 HydrophobicContact CD1-CD1 4.22Å; L453-L457 HydrophobicContact CD1-CD1 4.39Å; L453-L457 HydrophobicContact CD1-CG 4.25Å; L453-L457 HydrophobicContact CG-CD1 4.06Å; L453-L457 HydrophobicContact CG-CG 4.37Å; L453-L457 WeakPolarHBondContact O-CB 3.33Å; L453-L457 WeakPolarHBondContact O-CG 3.48Å; L453-L457 PolarHBondContact O-N 3.21Å; Q454-L457 PolarHBondContact O-N 2.9Å; E455-L457 VanDerWaalsContact C-N 3.31Å; E455-L457 PolarHBondContact O-N 2.77Å; L457-I461 WeakPolarHBondContact O-CB 3.13Å; L457-I461 WeakPolarHBondContact O-CG1 3.48Å; L457-I461 PolarHBondContact O-N 3.15Å; L457-L595 HydrophobicContact CD2-CD1 4.34Å; L457-V631 HydrophobicContact CD2-CG1 3.9Å; L457-V631 HydrophobicContact CG-CG1 4.18Å; L457-S632 WeakPolarHBondContact CD2-OG 3.44Å
458	V	91.3	Very high	86.9	Confident	19 Å²	19	38.2 Å²	38.2	12%	0.115	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-48.1	178	-179.9	0	0	0	0	110.1	W446 Q454 E455 I461 S462 L496 Q501 L506	W446-V458 HydrophobicContact CH2-CG2 3.79Å; W446-V458 HydrophobicContact CZ2-CG2 3.99Å; Q454-V458 WeakPolarHBondContact O-CG2 3.4Å; Q454-V458 PolarHBondContact O-N 2.91Å; Q454-V458 VanDerWaalsContact O-N 3.1Å; E455-V458 PolarHBondContact O-N 3.33Å; E455-V458 VanDerWaalsContact O-N 3.16Å; V458-I461 PolarHBondContact O-N 3.19Å; V458-S462 WeakPolarHBondContact O-CB 3.3Å; V458-S462 PolarHBondContact O-N 2.94Å; V458-S462 PolarHBondContact O-OG 3.46Å; V458-L496 HydrophobicContact CG1-CD1 4.46Å; V458-L496 HydrophobicContact CG2-CD2 4.08Å; V458-Q501 HydrophobicContact CG2-CB 4.47Å; V458-L506 HydrophobicContact CG1-CD2 3.83Å
459	Y	90	Very high	86.7	Confident	51 Å²	51	33.1 Å²	33.1	20%	0.2	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-50.3	177.2	-86.1	-96.1	0	0	0	112.2	E455 I461 I463 L506 I510 I532 P535 L544	E455-Y459 VanDerWaalsContact O-CD2 3.31Å; E455-Y459 WeakPolarHBondContact O-CD2 3.39Å; E455-Y459 PolarHBondContact O-N 3.21Å; Y459-I461 VanDerWaalsContact C-N 3.26Å; Y459-I461 PolarHBondContact O-N 3.47Å; Y459-I463 HydrophobicContact CD1-CD1 3.51Å; Y459-I463 HydrophobicContact CE1-CD1 4.01Å; Y459-I463 HydrophobicContact CG-CD1 4.41Å; Y459-I463 WeakPolarHBondContact O-CB 3.28Å; Y459-I463 PolarHBondContact O-N 3.33Å; Y459-L506 HydrophobicContact CD1-CD2 4.4Å; Y459-L506 HydrophobicContact CD2-CD2 4.41Å; Y459-L506 HydrophobicContact CE1-CD1 4.18Å; Y459-L506 HydrophobicContact CE2-CD1 4.47Å; Y459-L506 HydrophobicContact CG-CD2 4.3Å; Y459-I510 HydrophobicContact CE1-CD1 4.37Å; Y459-I532 HydrophobicContact CD1-CD1 4.11Å; Y459-I532 HydrophobicContact CE1-CD1 4.45Å; Y459-P535 HydrophobicContact CE1-CG 4.15Å; Y459-L544 WeakPolarHBondContact O-CD1 3.26Å
460	C	91.4	Very high	86.5	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.007	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-30.8	-177.1	-72.2	0	0	0	0	113.1	M456 N464 L595	M456-C460 WeakPolarHBondContact O-CB 3.47Å; M456-C460 PolarHBondContact O-N 2.78Å; M456-C460 PolarHBondContact O-SG 2.67Å; C460-N464 WeakPolarHBondContact O-CB 3.31Å; C460-L595 HydrophobicContact CB-CB 4.43Å; C460-L595 HydrophobicContact CB-CD1 4.41Å
461	I	92.3	Very high	86.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-90	-47.7	-177.6	-69.2	171.9	0	0	0	111.2	L457 V458 Y459 S465 L492 L493 F495 L496 L595	L457-I461 WeakPolarHBondContact O-CB 3.13Å; L457-I461 WeakPolarHBondContact O-CG1 3.48Å; L457-I461 PolarHBondContact O-N 3.15Å; V458-I461 PolarHBondContact O-N 3.19Å; Y459-I461 VanDerWaalsContact C-N 3.26Å; Y459-I461 PolarHBondContact O-N 3.47Å; I461-S465 VanDerWaalsContact O-CB 3.31Å; I461-S465 WeakPolarHBondContact O-CB 3.47Å; I461-S465 PolarHBondContact O-OG 3.16Å; I461-L492 HydrophobicContact CD1-CB 4.48Å; I461-L492 HydrophobicContact CG1-CB 4.25Å; I461-L492 VanDerWaalsContact CG2-C 3.47Å; I461-L492 HydrophobicContact CG2-CB 3.67Å; I461-L492 WeakPolarHBondContact CG2-O 3.3Å; I461-L493 HydrophobicContact CG2-CD2 4.02Å; I461-F495 HydrophobicContact CD1-CD1 3.86Å; I461-F495 HydrophobicContact CD1-CE1 4.33Å; I461-L496 HydrophobicContact CB-CD1 3.77Å; I461-L496 HydrophobicContact CB-CG 4.13Å; I461-L496 HydrophobicContact CD1-CD2 3.93Å; I461-L496 HydrophobicContact CD1-CG 3.96Å; I461-L496 HydrophobicContact CG2-CD1 3.57Å; I461-L496 HydrophobicContact CG2-CG 3.85Å; I461-L595 HydrophobicContact CD1-CD1 3.95Å; I461-L595 HydrophobicContact CG1-CD1 3.56Å
462	S	90.5	Very high	86	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.8	-44.3	-171.9	-56.6	0	0	0	0	112.7	V458 L496 Y503 R507	V458-S462 WeakPolarHBondContact O-CB 3.3Å; V458-S462 PolarHBondContact O-N 2.94Å; V458-S462 PolarHBondContact O-OG 3.46Å; S462-L496 WeakPolarHBondContact OG-CD1 3.46Å; S462-Y503 WeakPolarHBondContact OG-CB 3.45Å; S462-R507 PolarHBondContact O-NE 3.37Å; S462-R507 PolarHBondContact O-NH2 3.02Å
463	I	89.6	Confident	85.5	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-40.6	-174.8	-61.4	174.9	0	0	0	111.3	Y459 S465 L506 I510 L515 T530 I532 L544	Y459-I463 HydrophobicContact CD1-CD1 3.51Å; Y459-I463 HydrophobicContact CE1-CD1 4.01Å; Y459-I463 HydrophobicContact CG-CD1 4.41Å; Y459-I463 WeakPolarHBondContact O-CB 3.28Å; Y459-I463 PolarHBondContact O-N 3.33Å; I463-S465 PolarHBondContact O-N 2.9Å; I463-L506 HydrophobicContact CD1-CD2 4.2Å; I463-L506 HydrophobicContact CD1-CG 4.41Å; I463-L506 HydrophobicContact CG1-CD2 4.16Å; I463-L506 HydrophobicContact CG1-CG 4.38Å; I463-I510 HydrophobicContact CD1-CD1 3.75Å; I463-L515 HydrophobicContact CG2-CD2 4Å; I463-T530 HydrophobicContact CG2-CG2 3.97Å; I463-I532 HydrophobicContact CD1-CD1 3.73Å; I463-I532 HydrophobicContact CG2-CG2 3.67Å; I463-L544 HydrophobicContact CB-CD1 3.78Å; I463-L544 HydrophobicContact CD1-CD1 4.39Å; I463-L544 HydrophobicContact CG2-CD1 3.85Å
464	N	87.6	Confident	84.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-80	23	179.9	-161.5	13.4	0	0	0	112.4	C460 T530 L544 S545 K546	C460-N464 WeakPolarHBondContact O-CB 3.31Å; N464-T530 PolarHBondContact OD1-OG1 2.93Å; N464-L544 HydrophobicContact CB-CB 3.94Å; N464-L544 PolarHBondContact ND2-O 3.17Å; N464-S545 WeakPolarHBondContact ND2-CA 3.34Å; N464-S545 PolarHBondContact ND2-N 2.85Å; N464-K546 PolarHBondContact ND2-N 3.41Å; N464-K546 VanDerWaalsContact ND2-N 3.14Å; N464-K546 VanDerWaalsContact O-CD 3.27Å; N464-K546 WeakPolarHBondContact O-CD 3.3Å; N464-K546 WeakPolarHBondContact O-CE 3.47Å; N464-K546 PolarHBondContact O-NZ 3.18Å
465	S	85.9	Confident	83.4	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.014	21%	0.213	C	C	.	.	S	Bend	trans	-121.7	144.5	173.8	-65.7	0	0	0	0	108.6	I461 I463 Y467 R507	I461-S465 VanDerWaalsContact O-CB 3.31Å; I461-S465 WeakPolarHBondContact O-CB 3.47Å; I461-S465 PolarHBondContact O-OG 3.16Å; I463-S465 PolarHBondContact O-N 2.9Å; S465-Y467 PolarHBondContact O-N 3.46Å; S465-R507 PolarHBondContact O-NH2 3.24Å
466	S	80.1	Confident	81.7	Confident	39 Å²	39	38.8 Å²	38.8	27%	0.273	21%	0.209	S	C	.	.			trans	-57.6	140.9	-178.9	-178	0	0	0	0	110.3	S468 T469 E489 R507	S466-S468 PolarHBondContact O-N 3.31Å; S466-S468 PolarHBondContact OG-N 3.1Å; S466-S468 PolarHBondContact OG-OG 2.87Å; S466-T469 WeakPolarHBondContact O-CA 3.45Å; S466-T469 VanDerWaalsContact O-CB 3.3Å; S466-T469 WeakPolarHBondContact O-CB 3.48Å; S466-T469 PolarHBondContact O-N 2.81Å; S466-E489 PolarHBondContact N-OE2 3.31Å; S466-R507 PolarHBondContact O-NH2 3.13Å
467	Y	79.7	Confident	80	Confident	37 Å²	37	45.7 Å²	45.7	15%	0.145	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.5	177.5	-79.4	-116.8	0	0	0	111.5	S465 T469 R507 I510 E512 L515	S465-Y467 PolarHBondContact O-N 3.46Å; Y467-T469 VanDerWaalsContact C-N 3.27Å; Y467-T469 PolarHBondContact O-N 2.72Å; Y467-R507 HydrophobicContact CD1-CB 4.34Å; Y467-R507 HydrophobicContact CD1-CG 4.4Å; Y467-R507 HydrophobicContact CE1-CB 3.69Å; Y467-R507 HydrophobicContact CE1-CG 3.82Å; Y467-I510 PolarHBondContact OH-O 2.95Å; Y467-E512 HydrophobicContact CD1-CB 4.31Å; Y467-E512 HydrophobicContact CD2-CB 4.31Å; Y467-E512 HydrophobicContact CG-CB 4.2Å; Y467-L515 HydrophobicContact CE2-CD1 4.15Å
468	S	75.7	Confident	78.3	Confident	83 Å²	83	49.6 Å²	49.6	58%	0.58	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-19.6	167.6	70.5	0	0	0	0	113.8	S466	S466-S468 PolarHBondContact O-N 3.31Å; S466-S468 PolarHBondContact OG-N 3.1Å; S466-S468 PolarHBondContact OG-OG 2.87Å
469	T	79.4	Confident	76.9	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	31%	0.311	C	S	.	.			trans	-84.8	118.4	176.4	-60.8	0	0	0	0	109.5	S466 Y467 L484 N486 E489 C490 L493 R507	S466-T469 WeakPolarHBondContact O-CA 3.45Å; S466-T469 VanDerWaalsContact O-CB 3.3Å; S466-T469 WeakPolarHBondContact O-CB 3.48Å; S466-T469 PolarHBondContact O-N 2.81Å; Y467-T469 VanDerWaalsContact C-N 3.27Å; Y467-T469 PolarHBondContact O-N 2.72Å; T469-L484 CarbonylContact C-O 3.51Å; T469-L484 WeakPolarHBondContact CA-O 3.37Å; T469-N486 PolarHBondContact OG1-N 3.48Å; T469-E489 WeakPolarHBondContact CB-OE2 3.11Å; T469-E489 HydrophobicContact CG2-CB 3.57Å; T469-E489 PolarHBondContact OG1-OE2 3.06Å; T469-C490 HydrophobicContact CG2-CB 4.38Å; T469-C490 WeakPolarHBondContact CG2-SG 3.27Å; T469-L493 HydrophobicContact CG2-CD1 3.82Å; T469-R507 PolarHBondContact O-NH1 3.2Å
470	Q	79.1	Confident	75.7	Confident	88 Å²	88	57.3 Å²	57.3	41%	0.411	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.2	-179.1	-61.9	-178.4	7.6	0	0	111.2	I472 L484	Q470-I472 HydrophobicContact CB-CG1 4.41Å; Q470-L484 PolarHBondContact N-O 2.75Å; Q470-L484 PolarHBondContact O-N 3.11Å
471	V	83.2	Confident	74.8	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.018	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	102.5	175.5	-177	0	0	0	0	107.5	W481 Q482 C490 L493 L497 Y503	V471-W481 HydrophobicContact CG1-CB 3.48Å; V471-W481 VanDerWaalsContact CG1-CB 3.48Å; V471-W481 HydrophobicContact CG1-CD2 4.04Å; V471-W481 HydrophobicContact CG1-CE3 3.76Å; V471-W481 HydrophobicContact CG1-CG 4Å; V471-Q482 WeakPolarHBondContact CA-O 3.38Å; V471-C490 HydrophobicContact CG2-CB 3.91Å; V471-C490 WeakPolarHBondContact CG2-O 3.5Å; V471-L493 HydrophobicContact CG2-CB 3.77Å; V471-L493 HydrophobicContact CG2-CD1 4.38Å; V471-L497 HydrophobicContact CB-CD1 3.85Å; V471-L497 HydrophobicContact CG1-CD1 3.72Å; V471-Y503 PolarHBondContact N-OH 2.7Å; V471-Y503 PolarHBondContact O-OH 3.14Å
472	I	80.1	Confident	74	Confident	64 Å²	64	67.6 Å²	67.6	33%	0.328	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136	-174.2	-54.1	-175	0	0	0	109	Q470 W481 Q482 L484	Q470-I472 HydrophobicContact CB-CG1 4.41Å; I472-W481 CarbonylContact O-C 3.2Å; I472-W481 WeakPolarHBondContact O-CA 3.4Å; I472-Q482 PolarHBondContact N-O 3.44Å; I472-Q482 PolarHBondContact O-N 3.17Å; I472-L484 HydrophobicContact CD1-CD1 3.39Å; I472-L484 HydrophobicContact CG1-CD1 4.1Å
473	P	74.8	Confident	73.4	Confident	87 Å²	87	69.4 Å²	69.4	57%	0.565	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-60.3	138.7	171.1	24.9	-33.5	0	0	0	111	W481	P473-W481 HydrophobicContact CB-CE3 4.39Å; P473-W481 HydrophobicContact CB-CZ3 4.5Å
474	S	68.3	Low	72.6	Confident	36 Å²	36	72.5 Å²	72.5	25%	0.252	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-65.3	153.8	176	-172.8	0	0	0	0	111.1	T476 E479	S474-T476 PolarHBondContact O-N 2.95Å; S474-E479 PolarHBondContact OG-OE2 3.07Å
475	K	64	Low	71.8	Confident	215 Å²	215	75 Å²	75	94%	0.935	42%	0.42	S	S	*	.	S	Bend	trans	-63.2	-24.2	174.8	-66.9	-178.1	178.5	-179.5	0	112.6
476	T	53.2	Low	71.5	Confident	78 Å²	78	78.8 Å²	78.8	48%	0.479	44%	0.44	S	S	.	.	S	Bend	trans	-101.3	126.5	-178.2	-40.9	0	0	0	0	110.6	S474 G478 E479	S474-T476 PolarHBondContact O-N 2.95Å; T476-G478 PolarHBondContact O-N 2.95Å; T476-E479 WeakPolarHBondContact CB-OE2 3.39Å; T476-E479 PolarHBondContact O-N 3.1Å; T476-E479 VanDerWaalsContact O-N 3.17Å; T476-E479 PolarHBondContact OG1-OE2 3.18Å; T476-E479 VanDerWaalsContact OG1-OE2 3.1Å
477	V	52	Low	71.6	Confident	153 Å²	153	80.3 Å²	80.3	93%	0.927	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	119.8	176.9	-177.2	0	0	0	0	109.8
478	G	55.6	Low	71.9	Confident	82 Å²	82	79.5 Å²	79.5	85%	0.845	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.4	-7.9	178.8	0	0	0	0	0	115.5	T476	T476-G478 PolarHBondContact O-N 2.95Å
479	E	62.1	Low	72.6	Confident	114 Å²	114	76.1 Å²	76.1	53%	0.533	42%	0.416	S	S	.	.	S	Bend	trans	-76.6	153.6	169.4	-80.4	-177.7	163.2	0	0	111.8	S474 T476	S474-E479 PolarHBondContact OG-OE2 3.07Å; T476-E479 WeakPolarHBondContact CB-OE2 3.39Å; T476-E479 PolarHBondContact O-N 3.1Å; T476-E479 VanDerWaalsContact O-N 3.17Å; T476-E479 PolarHBondContact OG1-OE2 3.18Å; T476-E479 VanDerWaalsContact OG1-OE2 3.1Å
480	K	64.4	Low	73	Confident	119 Å²	119	76 Å²	76	52%	0.517	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-64.9	151.2	177.9	-66.6	-176.1	177.9	-173.6	0	110.8	T425 Q482	T425-K480 VanDerWaalsContact CG2-NZ 3.32Å; T425-K480 PolarHBondContact OG1-NZ 2.78Å; K480-Q482 PolarHBondContact O-N 3.28Å
481	W	74.1	Confident	73.6	Confident	107 Å²	107	72 Å²	72	41%	0.405	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-57	134.6	174.7	-56.8	70.6	0	0	0	111.1	V471 I472 P473 Q483 L497	V471-W481 HydrophobicContact CG1-CB 3.48Å; V471-W481 VanDerWaalsContact CG1-CB 3.48Å; V471-W481 HydrophobicContact CG1-CD2 4.04Å; V471-W481 HydrophobicContact CG1-CE3 3.76Å; V471-W481 HydrophobicContact CG1-CG 4Å; I472-W481 CarbonylContact O-C 3.2Å; I472-W481 WeakPolarHBondContact O-CA 3.4Å; P473-W481 HydrophobicContact CB-CE3 4.39Å; P473-W481 HydrophobicContact CB-CZ3 4.5Å; W481-Q483 PolarHBondContact O-N 3.12Å; W481-L497 HydrophobicContact CD2-CD1 4.34Å; W481-L497 HydrophobicContact CE3-CD1 3.73Å; W481-L497 HydrophobicContact CH2-CB 4.18Å; W481-L497 HydrophobicContact CH2-CD1 3.85Å; W481-L497 HydrophobicContact CH2-CD2 4.06Å; W481-L497 HydrophobicContact CH2-CG 4.26Å; W481-L497 HydrophobicContact CZ2-CB 4.34Å; W481-L497 HydrophobicContact CZ2-CD1 4.46Å; W481-L497 HydrophobicContact CZ3-CD1 3.44Å; W481-L497 VanDerWaalsContact CZ3-CD1 3.44Å; W481-L497 HydrophobicContact CZ3-CD2 4.2Å; W481-L497 HydrophobicContact CZ3-CG 4.29Å
482	Q	75.1	Confident	74	Confident	110 Å²	110	72 Å²	72	51%	0.514	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.8	175.4	-172.4	174.6	-0.2	0	0	109.3	V471 I472 K480	V471-Q482 WeakPolarHBondContact CA-O 3.38Å; I472-Q482 PolarHBondContact N-O 3.44Å; I472-Q482 PolarHBondContact O-N 3.17Å; K480-Q482 PolarHBondContact O-N 3.28Å
483	Q	77.2	Confident	74.6	Confident	37 Å²	37	68.9 Å²	68.9	17%	0.173	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116.2	179.5	-66.1	-172.3	-24.8	0	0	109.7	S427 M428 W481 C490	S427-Q483 PolarHBondContact OG-NE2 3.06Å; S427-Q483 PolarHBondContact OG-OE1 2.89Å; M428-Q483 PolarHBondContact O-NE2 3.18Å; W481-Q483 PolarHBondContact O-N 3.12Å; Q483-C490 HydrophobicContact CB-CB 3.7Å; Q483-C490 HydrophobicContact CG-CB 3.6Å
484	L	73.3	Confident	75.3	Confident	67 Å²	67	65.3 Å²	65.3	35%	0.351	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.3	174.3	-63.5	173.5	0	0	0	109.1	T469 Q470 I472 C490	T469-L484 CarbonylContact C-O 3.51Å; T469-L484 WeakPolarHBondContact CA-O 3.37Å; Q470-L484 PolarHBondContact N-O 2.75Å; Q470-L484 PolarHBondContact O-N 3.11Å; I472-L484 HydrophobicContact CD1-CD1 3.39Å; I472-L484 HydrophobicContact CG1-CD1 4.1Å; L484-C490 PolarHBondContact O-SG 3.28Å
485	G	71.6	Confident	76.4	Confident	52 Å²	52	63.6 Å²	63.6	54%	0.536	35%	0.347	S	S	.	.	S	Bend	trans	90.2	-148.9	-177.1	0	0	0	0	0	113.7	K487	G485-K487 PolarHBondContact O-N 3.4Å
486	N	78.9	Confident	77.6	Confident	81 Å²	81	53.4 Å²	53.4	43%	0.433	30%	0.303	S	S	.	.			trans	-73.8	114.5	-175.7	-177.2	-20.9	0	0	0	110.7	T469 T488 E489 C490	T469-N486 PolarHBondContact OG1-N 3.48Å; N486-T488 PolarHBondContact O-N 3.39Å; N486-T488 VanDerWaalsContact O-N 3.08Å; N486-T488 WeakPolarHBondContact OD1-CB 3.47Å; N486-T488 PolarHBondContact OD1-N 3.45Å; N486-T488 PolarHBondContact OD1-OG1 2.61Å; N486-E489 HydrophobicContact CB-CB 4.25Å; N486-E489 HydrophobicContact CB-CG 3.83Å; N486-E489 WeakPolarHBondContact O-CA 3.32Å; N486-E489 WeakPolarHBondContact O-CB 3.41Å; N486-E489 PolarHBondContact O-N 2.96Å; N486-C490 PolarHBondContact O-N 2.71Å; N486-C490 PolarHBondContact O-SG 3Å; N486-C490 VanDerWaalsContact O-SG 3.32Å
487	K	82.4	Confident	79.3	Confident	72 Å²	72	50.9 Å²	50.9	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-55.8	-32	-177	-57.2	-168.3	177.7	-163	0	114.3	N426 M428 G485 E489 C490 A491	N426-K487 PolarHBondContact ND2-NZ 2.86Å; N426-K487 WeakPolarHBondContact O-CD 3.43Å; N426-K487 PolarHBondContact O-NZ 3.37Å; N426-K487 PolarHBondContact OD1-NZ 3.08Å; M428-K487 HydrophobicContact CB-CB 4.29Å; M428-K487 WeakPolarHBondContact CB-O 3.38Å; M428-K487 HydrophobicContact CG-CB 3.88Å; G485-K487 PolarHBondContact O-N 3.4Å; K487-E489 VanDerWaalsContact C-N 3.32Å; K487-C490 PolarHBondContact O-N 3.17Å; K487-A491 WeakPolarHBondContact O-CB 3.01Å; K487-A491 PolarHBondContact O-N 3.38Å
488	T	86.2	Confident	80.9	Confident	20 Å²	20	48.4 Å²	48.4	12%	0.123	27%	0.268	C	S	.	.	H	α-helix	trans	-67.3	-37.8	177	-48.3	0	0	0	0	110.5	N486 A491 L492 R591 I593 I636	N486-T488 PolarHBondContact O-N 3.39Å; N486-T488 VanDerWaalsContact O-N 3.08Å; N486-T488 WeakPolarHBondContact OD1-CB 3.47Å; N486-T488 PolarHBondContact OD1-N 3.45Å; N486-T488 PolarHBondContact OD1-OG1 2.61Å; T488-A491 WeakPolarHBondContact O-CB 3.49Å; T488-A491 PolarHBondContact O-N 3.15Å; T488-L492 WeakPolarHBondContact O-CG 3.34Å; T488-L492 PolarHBondContact O-N 3.38Å; T488-R591 PolarHBondContact OG1-NH1 3.01Å; T488-R591 VanDerWaalsContact OG1-NH1 3.11Å; T488-I593 HydrophobicContact CG2-CD1 4.34Å; T488-I593 HydrophobicContact CG2-CG1 4.1Å; T488-I636 HydrophobicContact CG2-CD1 3.54Å
489	E	89.1	Confident	82.3	Confident	12 Å²	12	45.4 Å²	45.4	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-73	-41.9	174.9	-56.1	-175.2	164.9	0	0	111.2	S466 T469 N486 K487 A491 L492 L493 K546	S466-E489 PolarHBondContact N-OE2 3.31Å; T469-E489 WeakPolarHBondContact CB-OE2 3.11Å; T469-E489 HydrophobicContact CG2-CB 3.57Å; T469-E489 PolarHBondContact OG1-OE2 3.06Å; N486-E489 HydrophobicContact CB-CB 4.25Å; N486-E489 HydrophobicContact CB-CG 3.83Å; N486-E489 WeakPolarHBondContact O-CA 3.32Å; N486-E489 WeakPolarHBondContact O-CB 3.41Å; N486-E489 PolarHBondContact O-N 2.96Å; K487-E489 VanDerWaalsContact C-N 3.32Å; E489-A491 PolarHBondContact O-N 2.83Å; E489-L492 WeakPolarHBondContact O-CA 3.42Å; E489-L492 WeakPolarHBondContact O-CB 3.5Å; E489-L492 PolarHBondContact O-N 3.43Å; E489-L493 PolarHBondContact O-N 3.37Å; E489-K546 VanDerWaalsContact CG-NZ 3.28Å; E489-K546 IonicContact OE1-NZ 3.29Å; E489-K546 PolarHBondContact OE1-NZ 2.96Å
490	C	89.1	Confident	83.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.2	-34.6	172.4	-57.4	0	0	0	0	112	T469 V471 Q483 L484 N486 K487 L492 G494	T469-C490 HydrophobicContact CG2-CB 4.38Å; T469-C490 WeakPolarHBondContact CG2-SG 3.27Å; V471-C490 HydrophobicContact CG2-CB 3.91Å; V471-C490 WeakPolarHBondContact CG2-O 3.5Å; Q483-C490 HydrophobicContact CB-CB 3.7Å; Q483-C490 HydrophobicContact CG-CB 3.6Å; L484-C490 PolarHBondContact O-SG 3.28Å; N486-C490 PolarHBondContact O-N 2.71Å; N486-C490 PolarHBondContact O-SG 3Å; N486-C490 VanDerWaalsContact O-SG 3.32Å; K487-C490 PolarHBondContact O-N 3.17Å; C490-L492 VanDerWaalsContact C-N 3.34Å; C490-G494 PolarHBondContact O-N 2.68Å
491	A	90.8	Very high	84.3	Confident	2 Å²	2	40.3 Å²	40.3	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-37.9	175.2	0	0	0	0	0	112.2	M428 K487 T488 E489 F495 I636	M428-A491 HydrophobicContact CB-CB 3.78Å; M428-A491 WeakPolarHBondContact O-CA 3.05Å; M428-A491 WeakPolarHBondContact O-CB 3.33Å; K487-A491 WeakPolarHBondContact O-CB 3.01Å; K487-A491 PolarHBondContact O-N 3.38Å; T488-A491 WeakPolarHBondContact O-CB 3.49Å; T488-A491 PolarHBondContact O-N 3.15Å; E489-A491 PolarHBondContact O-N 2.83Å; A491-F495 WeakPolarHBondContact O-CB 3.42Å; A491-F495 PolarHBondContact O-N 2.96Å; A491-I636 HydrophobicContact CB-CD1 4.36Å; A491-I636 HydrophobicContact CB-CG2 3.76Å
492	L	92.8	Very high	84.7	Confident	3 Å²	3	37 Å²	37	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-70.7	-46.1	176.1	-61.4	173.9	0	0	0	111	V430 I461 T488 E489 C490 G494 F495 L496 L595 V634 I636	V430-L492 HydrophobicContact CG2-CD2 4.34Å; I461-L492 HydrophobicContact CD1-CB 4.48Å; I461-L492 HydrophobicContact CG1-CB 4.25Å; I461-L492 VanDerWaalsContact CG2-C 3.47Å; I461-L492 HydrophobicContact CG2-CB 3.67Å; I461-L492 WeakPolarHBondContact CG2-O 3.3Å; T488-L492 WeakPolarHBondContact O-CG 3.34Å; T488-L492 PolarHBondContact O-N 3.38Å; E489-L492 WeakPolarHBondContact O-CA 3.42Å; E489-L492 WeakPolarHBondContact O-CB 3.5Å; E489-L492 PolarHBondContact O-N 3.43Å; C490-L492 VanDerWaalsContact C-N 3.34Å; L492-G494 VanDerWaalsContact C-N 3.34Å; L492-G494 PolarHBondContact O-N 3.39Å; L492-F495 WeakPolarHBondContact O-CA 3.3Å; L492-F495 VanDerWaalsContact O-CB 3.27Å; L492-F495 WeakPolarHBondContact O-CB 3.22Å; L492-F495 PolarHBondContact O-N 3.41Å; L492-L496 PolarHBondContact O-N 2.64Å; L492-L496 VanDerWaalsContact O-N 3.17Å; L492-L595 HydrophobicContact CD1-CD2 4.35Å; L492-V634 HydrophobicContact CD2-CG2 3.61Å; L492-I636 HydrophobicContact CD2-CD1 4.3Å
493	L	92.1	Very high	85.4	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-44.4	175.2	-65.8	173.4	0	0	0	110.9	I461 T469 V471 E489 F495 L496 L497 Y503	I461-L493 HydrophobicContact CG2-CD2 4.02Å; T469-L493 HydrophobicContact CG2-CD1 3.82Å; V471-L493 HydrophobicContact CG2-CB 3.77Å; V471-L493 HydrophobicContact CG2-CD1 4.38Å; E489-L493 PolarHBondContact O-N 3.37Å; L493-F495 PolarHBondContact O-N 3.32Å; L493-L496 WeakPolarHBondContact O-CB 3.5Å; L493-L496 PolarHBondContact O-N 2.86Å; L493-L496 VanDerWaalsContact O-N 3.13Å; L493-L497 WeakPolarHBondContact O-CG 3.41Å; L493-L497 PolarHBondContact O-N 2.76Å; L493-Y503 HydrophobicContact CB-CD1 4.35Å; L493-Y503 HydrophobicContact CB-CE1 4.24Å; L493-Y503 HydrophobicContact CD1-CE2 4.19Å; L493-Y503 HydrophobicContact CD2-CD1 4.15Å; L493-Y503 HydrophobicContact CD2-CD2 3.75Å; L493-Y503 HydrophobicContact CD2-CE2 4.17Å; L493-Y503 HydrophobicContact CD2-CG 3.74Å
494	G	89.8	Confident	85.7	Confident	11 Å²	11	33.9 Å²	33.9	11%	0.113	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-27.5	173.6	0	0	0	0	0	113.1	C490 L492 N498	C490-G494 PolarHBondContact O-N 2.68Å; L492-G494 VanDerWaalsContact C-N 3.34Å; L492-G494 PolarHBondContact O-N 3.39Å; G494-N498 VanDerWaalsContact O-CB 3.29Å; G494-N498 WeakPolarHBondContact O-CB 3.46Å; G494-N498 PolarHBondContact O-N 3.02Å; G494-N498 PolarHBondContact O-ND2 3.46Å
495	F	90.4	Very high	86.3	Confident	1 Å²	1	38.2 Å²	38.2	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-42.5	172.4	170.6	-121.5	0	0	0	111.7	V430 L435 L443 I461 A491 L492 L493 M499 V634	V430-F495 HydrophobicContact CB-CB 3.92Å; V430-F495 HydrophobicContact CB-CD2 4.06Å; V430-F495 HydrophobicContact CB-CG 4.02Å; V430-F495 HydrophobicContact CG1-CD2 4.05Å; V430-F495 HydrophobicContact CG1-CE2 4.42Å; V430-F495 HydrophobicContact CG1-CG 4.21Å; V430-F495 HydrophobicContact CG2-CB 3.65Å; V430-F495 HydrophobicContact CG2-CG 4.01Å; L435-F495 HydrophobicContact CD1-CZ 4.4Å; L443-F495 HydrophobicContact CD1-CD2 4.05Å; L443-F495 HydrophobicContact CD1-CE2 4.3Å; L443-F495 HydrophobicContact CD2-CD2 3.98Å; L443-F495 HydrophobicContact CD2-CE2 3.69Å; L443-F495 HydrophobicContact CG-CE2 4.42Å; I461-F495 HydrophobicContact CD1-CD1 3.86Å; I461-F495 HydrophobicContact CD1-CE1 4.33Å; A491-F495 WeakPolarHBondContact O-CB 3.42Å; A491-F495 PolarHBondContact O-N 2.96Å; L492-F495 WeakPolarHBondContact O-CA 3.3Å; L492-F495 VanDerWaalsContact O-CB 3.27Å; L492-F495 WeakPolarHBondContact O-CB 3.22Å; L492-F495 PolarHBondContact O-N 3.41Å; L493-F495 PolarHBondContact O-N 3.32Å; F495-M499 HydrophobicContact CD1-CE 3.61Å; F495-M499 HydrophobicContact CD2-CE 3.78Å; F495-M499 HydrophobicContact CD2-CG 4.42Å; F495-M499 HydrophobicContact CD2-SD 4.14Å; F495-M499 HydrophobicContact CE1-CE 3.29Å; F495-M499 HydrophobicContact CE1-SD 4.17Å; F495-M499 HydrophobicContact CE2-CE 3.43Å; F495-M499 VanDerWaalsContact CE2-CE 3.43Å; F495-M499 HydrophobicContact CE2-CG 4.11Å; F495-M499 HydrophobicContact CE2-SD 3.39Å; F495-M499 WeakPolarHBondContact CE2-SD 3.22Å; F495-M499 HydrophobicContact CG-CE 3.85Å; F495-M499 HydrophobicContact CZ-CE 3.19Å; F495-M499 HydrophobicContact CZ-SD 3.43Å; F495-M499 WeakPolarHBondContact CZ-SD 3.48Å; F495-M499 WeakPolarHBondContact O-CE 3.45Å; F495-M499 WeakPolarHBondContact O-CG 3.46Å; F495-M499 PolarHBondContact O-N 3.19Å; F495-V634 HydrophobicContact CE1-CG1 4.47Å
496	L	90.4	Very high	86.9	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-45.9	172.2	-69.3	-177.5	0	0	0	112.2	W446 V458 I461 S462 L492 L493 N498 M499 G500 Q501	W446-L496 HydrophobicContact CH2-CD2 4.47Å; V458-L496 HydrophobicContact CG1-CD1 4.46Å; V458-L496 HydrophobicContact CG2-CD2 4.08Å; I461-L496 HydrophobicContact CB-CD1 3.77Å; I461-L496 HydrophobicContact CB-CG 4.13Å; I461-L496 HydrophobicContact CD1-CD2 3.93Å; I461-L496 HydrophobicContact CD1-CG 3.96Å; I461-L496 HydrophobicContact CG2-CD1 3.57Å; I461-L496 HydrophobicContact CG2-CG 3.85Å; S462-L496 WeakPolarHBondContact OG-CD1 3.46Å; L492-L496 PolarHBondContact O-N 2.64Å; L492-L496 VanDerWaalsContact O-N 3.17Å; L493-L496 WeakPolarHBondContact O-CB 3.5Å; L493-L496 PolarHBondContact O-N 2.86Å; L493-L496 VanDerWaalsContact O-N 3.13Å; L496-N498 PolarHBondContact O-N 2.85Å; L496-M499 HydrophobicContact CD2-CE 4.05Å; L496-M499 CarbonylContact O-C 3.42Å; L496-M499 WeakPolarHBondContact O-CA 3.4Å; L496-M499 PolarHBondContact O-N 2.93Å; L496-G500 PolarHBondContact O-N 3.26Å; L496-Q501 CarbonylContact C-O 3.52Å; L496-Q501 PolarHBondContact O-N 3.31Å
497	L	88	Confident	87.2	Confident	26 Å²	26	34 Å²	34	14%	0.136	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-42.7	179.2	-70.5	171.1	0	0	0	112.3	V471 W481 L493 M499 G500 Y503	V471-L497 HydrophobicContact CB-CD1 3.85Å; V471-L497 HydrophobicContact CG1-CD1 3.72Å; W481-L497 HydrophobicContact CD2-CD1 4.34Å; W481-L497 HydrophobicContact CE3-CD1 3.73Å; W481-L497 HydrophobicContact CH2-CB 4.18Å; W481-L497 HydrophobicContact CH2-CD1 3.85Å; W481-L497 HydrophobicContact CH2-CD2 4.06Å; W481-L497 HydrophobicContact CH2-CG 4.26Å; W481-L497 HydrophobicContact CZ2-CB 4.34Å; W481-L497 HydrophobicContact CZ2-CD1 4.46Å; W481-L497 HydrophobicContact CZ3-CD1 3.44Å; W481-L497 VanDerWaalsContact CZ3-CD1 3.44Å; W481-L497 HydrophobicContact CZ3-CD2 4.2Å; W481-L497 HydrophobicContact CZ3-CG 4.29Å; L493-L497 WeakPolarHBondContact O-CG 3.41Å; L493-L497 PolarHBondContact O-N 2.76Å; L497-M499 PolarHBondContact O-N 3.17Å; L497-G500 PolarHBondContact O-N 3.08Å; L497-Y503 HydrophobicContact CD1-CD1 4.38Å; L497-Y503 HydrophobicContact CD1-CE1 3.74Å; L497-Y503 HydrophobicContact CD2-CD1 4.05Å; L497-Y503 HydrophobicContact CD2-CE1 4Å; L497-Y503 HydrophobicContact CG-CD1 4.05Å; L497-Y503 HydrophobicContact CG-CE1 3.91Å
498	N	84.8	Confident	87.3	Confident	101 Å²	101	38.1 Å²	38.1	54%	0.54	21%	0.213	S	C	.	.	H	α-helix	trans	-65.6	-22.9	176	-74.5	-24.4	0	0	0	112.9	G494 L496 G500	G494-N498 VanDerWaalsContact O-CB 3.29Å; G494-N498 WeakPolarHBondContact O-CB 3.46Å; G494-N498 PolarHBondContact O-N 3.02Å; G494-N498 PolarHBondContact O-ND2 3.46Å; L496-N498 PolarHBondContact O-N 2.85Å; N498-G500 VanDerWaalsContact C-N 3.31Å
499	M	85.4	Confident	87.2	Confident	18 Å²	18	40.3 Å²	40.3	9%	0.089	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3	171.8	-67.7	-173.4	-65.4	0	0	113.1	W446 L449 F495 L496 L497	W446-M499 HydrophobicContact CB-CB 4.39Å; W446-M499 WeakPolarHBondContact CB-O 3.41Å; W446-M499 HydrophobicContact CD2-CB 4.28Å; W446-M499 HydrophobicContact CE3-CB 3.63Å; W446-M499 HydrophobicContact CE3-CE 3.88Å; W446-M499 HydrophobicContact CE3-CG 4.15Å; W446-M499 HydrophobicContact CE3-SD 3.57Å; W446-M499 VanDerWaalsContact CE3-SD 3.57Å; W446-M499 HydrophobicContact CZ3-CB 4.27Å; W446-M499 HydrophobicContact CZ3-CE 3.51Å; W446-M499 HydrophobicContact CZ3-SD 3.81Å; L449-M499 HydrophobicContact CD1-SD 4.5Å; F495-M499 HydrophobicContact CD1-CE 3.61Å; F495-M499 HydrophobicContact CD2-CE 3.78Å; F495-M499 HydrophobicContact CD2-CG 4.42Å; F495-M499 HydrophobicContact CD2-SD 4.14Å; F495-M499 HydrophobicContact CE1-CE 3.29Å; F495-M499 HydrophobicContact CE1-SD 4.17Å; F495-M499 HydrophobicContact CE2-CE 3.43Å; F495-M499 VanDerWaalsContact CE2-CE 3.43Å; F495-M499 HydrophobicContact CE2-CG 4.11Å; F495-M499 HydrophobicContact CE2-SD 3.39Å; F495-M499 WeakPolarHBondContact CE2-SD 3.22Å; F495-M499 HydrophobicContact CG-CE 3.85Å; F495-M499 HydrophobicContact CZ-CE 3.19Å; F495-M499 HydrophobicContact CZ-SD 3.43Å; F495-M499 WeakPolarHBondContact CZ-SD 3.48Å; F495-M499 WeakPolarHBondContact O-CE 3.45Å; F495-M499 WeakPolarHBondContact O-CG 3.46Å; F495-M499 PolarHBondContact O-N 3.19Å; L496-M499 HydrophobicContact CD2-CE 4.05Å; L496-M499 CarbonylContact O-C 3.42Å; L496-M499 WeakPolarHBondContact O-CA 3.4Å; L496-M499 PolarHBondContact O-N 2.93Å; L497-M499 PolarHBondContact O-N 3.17Å
500	G	83.2	Confident	87	Confident	61 Å²	61	41 Å²	41	63%	0.629	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	19.2	175.7	0	0	0	0	0	115.1	L496 L497 N498	L496-G500 PolarHBondContact O-N 3.26Å; L497-G500 PolarHBondContact O-N 3.08Å; N498-G500 VanDerWaalsContact C-N 3.31Å
501	Q	85.3	Confident	86.6	Confident	66 Å²	66	43.1 Å²	43.1	31%	0.308	25%	0.251	S	S	.	.			trans	-110.4	129.8	178.3	-60.5	-57.7	-52	0	0	111.6	W446 V458 L496	W446-Q501 HydrophobicContact CD2-CG 3.9Å; W446-Q501 VanDerWaalsContact CE2-CG 3.41Å; W446-Q501 HydrophobicContact CE3-CG 4.35Å; W446-Q501 HydrophobicContact CH2-CG 3.92Å; W446-Q501 HydrophobicContact CZ2-CG 3.42Å; W446-Q501 VanDerWaalsContact CZ2-CG 3.42Å; W446-Q501 HydrophobicContact CZ3-CG 4.36Å; W446-Q501 VanDerWaalsContact NE1-NE2 3.12Å; V458-Q501 HydrophobicContact CG2-CB 4.47Å; L496-Q501 CarbonylContact C-O 3.52Å; L496-Q501 PolarHBondContact O-N 3.31Å
502	G	83.8	Confident	86	Confident	37 Å²	37	48.6 Å²	48.6	38%	0.381	28%	0.276	S	S	.	.			trans	-78.9	138.4	171.9	0	0	0	0	0	111.1
503	Y	87.9	Confident	85.1	Confident	6 Å²	6	57.5 Å²	57.5	2%	0.024	32%	0.318	C	S	.	.	S	Bend	trans	-103.2	-17.5	176.7	63.5	-88.7	0	0	0	112.1	S462 V471 L493 L497 L506 R507	S462-Y503 WeakPolarHBondContact OG-CB 3.45Å; V471-Y503 PolarHBondContact N-OH 2.7Å; V471-Y503 PolarHBondContact O-OH 3.14Å; L493-Y503 HydrophobicContact CB-CD1 4.35Å; L493-Y503 HydrophobicContact CB-CE1 4.24Å; L493-Y503 HydrophobicContact CD1-CE2 4.19Å; L493-Y503 HydrophobicContact CD2-CD1 4.15Å; L493-Y503 HydrophobicContact CD2-CD2 3.75Å; L493-Y503 HydrophobicContact CD2-CE2 4.17Å; L493-Y503 HydrophobicContact CD2-CG 3.74Å; L497-Y503 HydrophobicContact CD1-CD1 4.38Å; L497-Y503 HydrophobicContact CD1-CE1 3.74Å; L497-Y503 HydrophobicContact CD2-CD1 4.05Å; L497-Y503 HydrophobicContact CD2-CE1 4Å; L497-Y503 HydrophobicContact CG-CD1 4.05Å; L497-Y503 HydrophobicContact CG-CE1 3.91Å; Y503-L506 PolarHBondContact O-N 3Å; Y503-R507 PolarHBondContact O-N 3.06Å
504	E	84.8	Confident	84.6	Confident	76 Å²	76	63 Å²	63	36%	0.355	34%	0.343	S	S	.	.	H	α-helix	trans	-62.4	-46.9	-177.8	-65.7	83	174.9	0	0	111.3	L506 R507 E508	E504-L506 PolarHBondContact O-N 3.14Å; E504-R507 PolarHBondContact O-N 3.19Å; E504-E508 WeakPolarHBondContact O-CG 3.4Å; E504-E508 PolarHBondContact O-N 2.96Å
505	E	84.6	Confident	84.3	Confident	157 Å²	157	63.8 Å²	63.8	73%	0.734	35%	0.345	S	S	*	.	H	α-helix	trans	-56.2	-38.6	178.3	-63.1	178.8	-174	0	0	112.2	A509	E505-A509 WeakPolarHBondContact O-CB 3.25Å; E505-A509 PolarHBondContact O-N 3.09Å
506	L	85.1	Confident	84	Confident	26 Å²	26	67 Å²	67	14%	0.136	36%	0.361	C	S	.	.	H	α-helix	trans	-73.3	-35.4	179.4	-172.5	63.9	0	0	0	112	V458 Y459 I463 Y503 E504 A509 I510	V458-L506 HydrophobicContact CG1-CD2 3.83Å; Y459-L506 HydrophobicContact CD1-CD2 4.4Å; Y459-L506 HydrophobicContact CD2-CD2 4.41Å; Y459-L506 HydrophobicContact CE1-CD1 4.18Å; Y459-L506 HydrophobicContact CE2-CD1 4.47Å; Y459-L506 HydrophobicContact CG-CD2 4.3Å; I463-L506 HydrophobicContact CD1-CD2 4.2Å; I463-L506 HydrophobicContact CD1-CG 4.41Å; I463-L506 HydrophobicContact CG1-CD2 4.16Å; I463-L506 HydrophobicContact CG1-CG 4.38Å; Y503-L506 PolarHBondContact O-N 3Å; E504-L506 PolarHBondContact O-N 3.14Å; L506-A509 PolarHBondContact O-N 3.18Å; L506-I510 HydrophobicContact CD1-CD1 4.44Å; L506-I510 PolarHBondContact O-N 3.16Å; L506-I510 VanDerWaalsContact O-N 3.09Å
507	R	84.9	Confident	83.8	Confident	20 Å²	20	70.3 Å²	70.3	8%	0.075	38%	0.376	C	S	.	.	H	α-helix	trans	-73.1	-29.8	175.9	-74.6	-176.7	172.3	-172.6	-13.9	112.7	S462 S465 S466 Y467 T469 Y503 E504 I510	S462-R507 PolarHBondContact O-NE 3.37Å; S462-R507 PolarHBondContact O-NH2 3.02Å; S465-R507 PolarHBondContact O-NH2 3.24Å; S466-R507 PolarHBondContact O-NH2 3.13Å; Y467-R507 HydrophobicContact CD1-CB 4.34Å; Y467-R507 HydrophobicContact CD1-CG 4.4Å; Y467-R507 HydrophobicContact CE1-CB 3.69Å; Y467-R507 HydrophobicContact CE1-CG 3.82Å; T469-R507 PolarHBondContact O-NH1 3.2Å; Y503-R507 PolarHBondContact O-N 3.06Å; E504-R507 PolarHBondContact O-N 3.19Å; R507-I510 CarbonylContact O-C 3.59Å; R507-I510 VanDerWaalsContact O-C 3.23Å
508	E	84.8	Confident	83.6	Confident	158 Å²	158	71.6 Å²	71.6	74%	0.738	39%	0.385	S	S	*	.	H	α-helix	trans	-70.3	-39.6	171	-72.7	179.8	-179.6	0	0	111.4	E504 I510	E504-E508 WeakPolarHBondContact O-CG 3.4Å; E504-E508 PolarHBondContact O-N 2.96Å; E508-I510 VanDerWaalsContact C-N 3.34Å; E508-I510 PolarHBondContact O-N 2.87Å
509	A	84.9	Confident	83.6	Confident	66 Å²	66	67.5 Å²	67.5	55%	0.545	36%	0.362	S	S	.	.	H	α-helix	trans	-67.2	-33.4	177.1	0	0	0	0	0	113.1	E505 L506	E505-A509 WeakPolarHBondContact O-CB 3.25Å; E505-A509 PolarHBondContact O-N 3.09Å; L506-A509 PolarHBondContact O-N 3.18Å
510	I	83.6	Confident	83.6	Confident	25 Å²	25	70.9 Å²	70.9	13%	0.128	38%	0.383	C	S	.	.	S	Bend	trans	-124.9	85.2	178.1	-55.1	171.1	0	0	0	107.8	Y459 I463 Y467 L506 R507 E508 Q514 L515	Y459-I510 HydrophobicContact CE1-CD1 4.37Å; I463-I510 HydrophobicContact CD1-CD1 3.75Å; Y467-I510 PolarHBondContact OH-O 2.95Å; L506-I510 HydrophobicContact CD1-CD1 4.44Å; L506-I510 PolarHBondContact O-N 3.16Å; L506-I510 VanDerWaalsContact O-N 3.09Å; R507-I510 CarbonylContact O-C 3.59Å; R507-I510 VanDerWaalsContact O-C 3.23Å; E508-I510 VanDerWaalsContact C-N 3.34Å; E508-I510 PolarHBondContact O-N 2.87Å; I510-Q514 HydrophobicContact CG2-CB 4.23Å; I510-L515 HydrophobicContact CG2-CD2 4.26Å
511	P	80.9	Confident	83.5	Confident	46 Å²	46	74 Å²	74	30%	0.299	38%	0.38	S	S	.	.			trans	-64.7	159.8	175.4	26.2	-35	0	0	0	111.7	E513 Q514	P511-E513 PolarHBondContact O-N 3.27Å; P511-E513 VanDerWaalsContact O-N 3.1Å; P511-Q514 HydrophobicContact CG-CG 3.96Å; P511-Q514 WeakPolarHBondContact O-CB 3.22Å; P511-Q514 PolarHBondContact O-N 2.83Å
512	E	77.8	Confident	83.1	Confident	117 Å²	117	74.2 Å²	74.2	55%	0.547	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-54.9	-31.6	-178.6	-173.5	168.8	-167.8	0	0	112.9	Y467 Q514 L515	Y467-E512 HydrophobicContact CD1-CB 4.31Å; Y467-E512 HydrophobicContact CD2-CB 4.31Å; Y467-E512 HydrophobicContact CG-CB 4.2Å; E512-Q514 PolarHBondContact O-N 2.97Å; E512-L515 HydrophobicContact CG-CD1 4.16Å; E512-L515 WeakPolarHBondContact O-CB 3.12Å; E512-L515 VanDerWaalsContact O-CG 3.29Å; E512-L515 WeakPolarHBondContact O-CG 3.3Å; E512-L515 PolarHBondContact O-N 2.89Å; E512-L515 VanDerWaalsContact O-N 3.15Å
513	E	75.3	Confident	82.6	Confident	190 Å²	190	76.9 Å²	76.9	89%	0.888	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-65.2	-21.8	177.3	-61.3	173.6	-171.7	0	0	114	P511 L515	P511-E513 PolarHBondContact O-N 3.27Å; P511-E513 VanDerWaalsContact O-N 3.1Å; E513-L515 VanDerWaalsContact C-N 3.35Å
514	Q	80.9	Confident	82	Confident	115 Å²	115	83 Å²	83	54%	0.537	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-86.5	-6	176.7	-71	-179.9	12.8	0	0	113.1	I510 P511 E512	I510-Q514 HydrophobicContact CG2-CB 4.23Å; P511-Q514 HydrophobicContact CG-CG 3.96Å; P511-Q514 WeakPolarHBondContact O-CB 3.22Å; P511-Q514 PolarHBondContact O-N 2.83Å; E512-Q514 PolarHBondContact O-N 2.97Å
515	L	82.6	Confident	81.9	Confident	27 Å²	27	81 Å²	81	14%	0.141	42%	0.422	C	S	.	.			trans	-72.5	129.8	177	-55.6	-179.5	0	0	0	109.5	I463 Y467 I510 E512 E513 V518 T530 I532	I463-L515 HydrophobicContact CG2-CD2 4Å; Y467-L515 HydrophobicContact CE2-CD1 4.15Å; I510-L515 HydrophobicContact CG2-CD2 4.26Å; E512-L515 HydrophobicContact CG-CD1 4.16Å; E512-L515 WeakPolarHBondContact O-CB 3.12Å; E512-L515 VanDerWaalsContact O-CG 3.29Å; E512-L515 WeakPolarHBondContact O-CG 3.3Å; E512-L515 PolarHBondContact O-N 2.89Å; E512-L515 VanDerWaalsContact O-N 3.15Å; E513-L515 VanDerWaalsContact C-N 3.35Å; L515-V518 HydrophobicContact CB-CG2 4.24Å; L515-V518 HydrophobicContact CD1-CG2 3.84Å; L515-T530 HydrophobicContact CD1-CG2 4.06Å; L515-T530 HydrophobicContact CD2-CG2 3.81Å; L515-T530 HydrophobicContact CG-CG2 4.37Å; L515-I532 HydrophobicContact CD2-CG2 3.58Å
516	I	85	Confident	82	Confident	69 Å²	69	78.1 Å²	78.1	35%	0.354	41%	0.408	S	S	.	.	S	Bend	trans	-77.2	-44.2	-175.2	-64.8	159.2	0	0	0	110.5	V531 A533 Y541	I516-V531 HydrophobicContact CB-CB 4.35Å; I516-V531 HydrophobicContact CB-CG1 4.14Å; I516-V531 HydrophobicContact CD1-CG1 4.2Å; I516-V531 HydrophobicContact CG2-CG1 4.42Å; I516-V531 PolarHBondContact N-O 3.01Å; I516-A533 HydrophobicContact CD1-CB 4.39Å; I516-Y541 HydrophobicContact CD1-CD1 3.19Å; I516-Y541 HydrophobicContact CD1-CE1 3.32Å; I516-Y541 HydrophobicContact CD1-CG 4.4Å
517	K	85.6	Confident	82.2	Confident	70 Å²	70	76.9 Å²	76.9	30%	0.304	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	137.9	179.8	-168.9	77.9	165.8	-156.9	0	109.6	Y519 V531 D619	K517-Y519 HydrophobicContact CG-CE1 4.25Å; K517-Y519 HydrophobicContact CG-CE2 4.15Å; K517-V531 HydrophobicContact CB-CB 4.28Å; K517-V531 HydrophobicContact CB-CG2 4.19Å; K517-V531 PolarHBondContact O-N 2.87Å; K517-D619 IonicContact NZ-OD1 2.83Å; K517-D619 PolarHBondContact NZ-OD1 3.39Å
518	V	84.5	Confident	82.4	Confident	53 Å²	53	77 Å²	77	32%	0.321	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	110.9	171.7	-177.8	0	0	0	0	108.7	L515 T520 M528 S529 T530	L515-V518 HydrophobicContact CB-CG2 4.24Å; L515-V518 HydrophobicContact CD1-CG2 3.84Å; V518-T520 PolarHBondContact O-N 2.81Å; V518-M528 HydrophobicContact CG1-CE 3.87Å; V518-S529 CarbonylContact C-O 3.47Å; V518-T530 HydrophobicContact CG2-CG2 4.14Å
519	Y	84.8	Confident	82.7	Confident	15 Å²	15	69.4 Å²	69.4	6%	0.059	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	106.4	164.7	-56.5	-77.9	0	0	0	107.4	K517 M528 S529 V531 L543 W618 E621 I624	K517-Y519 HydrophobicContact CG-CE1 4.25Å; K517-Y519 HydrophobicContact CG-CE2 4.15Å; Y519-M528 CarbonylContact O-C 3.46Å; Y519-M528 WeakPolarHBondContact O-CA 3.24Å; Y519-M528 WeakPolarHBondContact O-CG 3.49Å; Y519-S529 PolarHBondContact N-O 3.21Å; Y519-S529 PolarHBondContact O-N 3.33Å; Y519-V531 HydrophobicContact CE2-CG2 4.25Å; Y519-L543 HydrophobicContact CE2-CD1 4.37Å; Y519-W618 WeakPolarHBondContact CE1-O 3.35Å; Y519-W618 PolarHBondContact OH-O 3.23Å; Y519-E621 HydrophobicContact CD1-CB 4.25Å; Y519-E621 HydrophobicContact CD1-CG 3.68Å; Y519-E621 HydrophobicContact CE1-CB 3.88Å; Y519-E621 HydrophobicContact CE1-CG 3.71Å; Y519-E621 HydrophobicContact CG-CG 4.13Å; Y519-I624 VanDerWaalsContact OH-CD1 3.29Å; Y519-I624 WeakPolarHBondContact OH-CD1 3.44Å
520	T	84.5	Confident	83	Confident	89 Å²	89	66.4 Å²	66.4	55%	0.546	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	-177.6	-179.4	54.3	0	0	0	0	112.1	V518 N522 R525	V518-T520 PolarHBondContact O-N 2.81Å; T520-N522 PolarHBondContact O-N 3.21Å; T520-R525 VanDerWaalsContact C-NH2 3.3Å; T520-R525 PolarHBondContact O-NE 3.38Å; T520-R525 PolarHBondContact O-NH2 3.35Å
521	F	81.5	Confident	83.4	Confident	127 Å²	127	65.2 Å²	65.2	56%	0.557	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.8	169.3	177.9	-96.6	0	0	0	110.2
522	N	77.6	Confident	83.8	Confident	70 Å²	70	63.2 Å²	63.2	37%	0.374	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.7	168.6	167.6	-10.4	0	0	0	109.2	T520 V524 R525 K526	T520-N522 PolarHBondContact O-N 3.21Å; N522-V524 PolarHBondContact O-N 2.93Å; N522-V524 WeakPolarHBondContact OD1-CB 3.14Å; N522-V524 PolarHBondContact OD1-N 3.1Å; N522-R525 HydrophobicContact CB-CG 3.75Å; N522-R525 VanDerWaalsContact O-CG 3.27Å; N522-R525 WeakPolarHBondContact O-CG 3.48Å; N522-R525 PolarHBondContact O-N 3.39Å; N522-K526 WeakPolarHBondContact O-CA 3.4Å; N522-K526 PolarHBondContact O-N 3.03Å
523	S	73.3	Confident	84.3	Confident	92 Å²	92	60.4 Å²	60.4	64%	0.643	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.2	-173.8	-50.5	0	0	0	0	114	K526	S523-K526 VanDerWaalsContact O-CG 3.31Å; S523-K526 WeakPolarHBondContact O-CG 3.47Å
524	V	75.4	Confident	84.7	Confident	135 Å²	135	52.4 Å²	52.4	82%	0.818	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-49.9	176.3	-177.7	0	0	0	0	110.2	N522	N522-V524 PolarHBondContact O-N 2.93Å; N522-V524 WeakPolarHBondContact OD1-CB 3.14Å; N522-V524 PolarHBondContact OD1-N 3.1Å
525	R	81.7	Confident	84.3	Confident	33 Å²	33	49.6 Å²	49.6	13%	0.125	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-24.1	178.6	65	178.1	175.5	-133.7	-18	114	T520 N522 S527 V551 E621	T520-R525 VanDerWaalsContact C-NH2 3.3Å; T520-R525 PolarHBondContact O-NE 3.38Å; T520-R525 PolarHBondContact O-NH2 3.35Å; N522-R525 HydrophobicContact CB-CG 3.75Å; N522-R525 VanDerWaalsContact O-CG 3.27Å; N522-R525 WeakPolarHBondContact O-CG 3.48Å; N522-R525 PolarHBondContact O-N 3.39Å; R525-S527 PolarHBondContact NE-O 3.03Å; R525-S527 PolarHBondContact O-N 2.48Å; R525-S527 VanDerWaalsContact O-N 3.16Å; R525-V551 WeakPolarHBondContact O-CG1 3.49Å; R525-E621 WeakPolarHBondContact CD-OE1 3.11Å; R525-E621 IonicContact CZ-OE1 3.44Å; R525-E621 IonicContact CZ-OE2 3.97Å; R525-E621 IonicContact NE-OE1 3.21Å; R525-E621 IonicContact NH1-OE1 2.81Å; R525-E621 PolarHBondContact NH1-OE1 3.05Å; R525-E621 IonicContact NH1-OE2 3.6Å; R525-E621 PolarHBondContact NH1-OE2 3.18Å
526	K	86.7	Confident	83.5	Confident	97 Å²	97	58.1 Å²	58.1	42%	0.422	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	30.5	-174.7	-58.3	-178.3	175.3	178.2	0	114.3	N522 S523 G547 A548 V551	N522-K526 WeakPolarHBondContact O-CA 3.4Å; N522-K526 PolarHBondContact O-N 3.03Å; S523-K526 VanDerWaalsContact O-CG 3.31Å; S523-K526 WeakPolarHBondContact O-CG 3.47Å; K526-G547 WeakPolarHBondContact O-CA 3.3Å; K526-A548 HydrophobicContact CB-CB 4Å; K526-A548 HydrophobicContact CD-CB 4.28Å; K526-A548 PolarHBondContact O-N 3.26Å; K526-V551 HydrophobicContact CB-CG2 4.32Å; K526-V551 HydrophobicContact CD-CG2 4.23Å
527	S	89.5	Confident	82.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	161	179.1	60	0	0	0	0	111.5	R525 K546	R525-S527 PolarHBondContact NE-O 3.03Å; R525-S527 PolarHBondContact O-N 2.48Å; R525-S527 VanDerWaalsContact O-N 3.16Å; S527-K546 CarbonylContact C-O 3.56Å; S527-K546 VanDerWaalsContact CA-O 3.24Å; S527-K546 WeakPolarHBondContact CA-O 3.32Å; S527-K546 WeakPolarHBondContact CB-O 3.38Å
528	M	90	Very high	81.8	Confident	22 Å²	22	60.9 Å²	60.9	11%	0.108	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.1	172.3	179	-178.3	-167.6	0	0	107.3	V518 Y519 S545 K546	V518-M528 HydrophobicContact CG1-CE 3.87Å; Y519-M528 CarbonylContact O-C 3.46Å; Y519-M528 WeakPolarHBondContact O-CA 3.24Å; Y519-M528 WeakPolarHBondContact O-CG 3.49Å; M528-S545 WeakPolarHBondContact O-CA 3.5Å; M528-K546 HydrophobicContact CB-CG 4.18Å; M528-K546 PolarHBondContact N-O 3.45Å; M528-K546 PolarHBondContact O-N 2.97Å; M528-K546 WeakPolarHBondContact SD-CE 3.42Å
529	S	91.2	Very high	81.6	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	143.6	179.4	-56.1	0	0	0	0	112.7	V518 Y519 L544 S545 L625	V518-S529 CarbonylContact C-O 3.47Å; Y519-S529 PolarHBondContact N-O 3.21Å; Y519-S529 PolarHBondContact O-N 3.33Å; S529-L544 CarbonylContact C-O 3.6Å; S529-L544 WeakPolarHBondContact CA-O 3.4Å; S529-L544 VanDerWaalsContact CB-O 3.31Å; S529-L544 WeakPolarHBondContact CB-O 3.35Å; S529-S545 VanDerWaalsContact OG-CB 3.32Å; S529-S545 WeakPolarHBondContact OG-CB 3.35Å; S529-S545 PolarHBondContact OG-OG 3Å; S529-L625 WeakPolarHBondContact OG-CD2 3.41Å
530	T	91	Very high	81.7	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.018	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.2	-178.2	-62.9	0	0	0	0	109.4	I463 N464 L515 V518 I532 L544	I463-T530 HydrophobicContact CG2-CG2 3.97Å; N464-T530 PolarHBondContact OD1-OG1 2.93Å; L515-T530 HydrophobicContact CD1-CG2 4.06Å; L515-T530 HydrophobicContact CD2-CG2 3.81Å; L515-T530 HydrophobicContact CG-CG2 4.37Å; V518-T530 HydrophobicContact CG2-CG2 4.14Å; T530-I532 HydrophobicContact CG2-CG2 4.27Å; T530-L544 PolarHBondContact N-O 3.24Å; T530-L544 PolarHBondContact O-N 3.12Å
531	V	91	Very high	81.9	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.8	178	-176.1	0	0	0	0	109.5	I516 K517 Y519 R542 L543 W618	I516-V531 HydrophobicContact CB-CB 4.35Å; I516-V531 HydrophobicContact CB-CG1 4.14Å; I516-V531 HydrophobicContact CD1-CG1 4.2Å; I516-V531 HydrophobicContact CG2-CG1 4.42Å; I516-V531 PolarHBondContact N-O 3.01Å; K517-V531 HydrophobicContact CB-CB 4.28Å; K517-V531 HydrophobicContact CB-CG2 4.19Å; K517-V531 PolarHBondContact O-N 2.87Å; Y519-V531 HydrophobicContact CE2-CG2 4.25Å; V531-R542 WeakPolarHBondContact CA-O 3.49Å; V531-L543 HydrophobicContact CG2-CD1 3.56Å; V531-W618 HydrophobicContact CB-CZ3 4.28Å; V531-W618 HydrophobicContact CG1-CE3 4.3Å; V531-W618 HydrophobicContact CG1-CH2 3.59Å; V531-W618 HydrophobicContact CG1-CZ2 4.28Å; V531-W618 HydrophobicContact CG1-CZ3 3.6Å; V531-W618 HydrophobicContact CG2-CE3 4.01Å; V531-W618 HydrophobicContact CG2-CZ3 3.71Å
532	I	90.9	Very high	82.4	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.015	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	157.6	174.6	62.2	176.3	0	0	0	110.9	Y459 I463 L515 T530 Y541 R542 L544	Y459-I532 HydrophobicContact CD1-CD1 4.11Å; Y459-I532 HydrophobicContact CE1-CD1 4.45Å; I463-I532 HydrophobicContact CD1-CD1 3.73Å; I463-I532 HydrophobicContact CG2-CG2 3.67Å; L515-I532 HydrophobicContact CD2-CG2 3.58Å; T530-I532 HydrophobicContact CG2-CG2 4.27Å; I532-Y541 CarbonylContact O-C 3.6Å; I532-Y541 WeakPolarHBondContact O-CA 3.43Å; I532-R542 HydrophobicContact CD1-CB 4.45Å; I532-R542 HydrophobicContact CG1-CB 3.9Å; I532-R542 HydrophobicContact CG1-CG 4.37Å; I532-R542 PolarHBondContact N-O 3.39Å; I532-R542 PolarHBondContact O-N 3.26Å; I532-L544 HydrophobicContact CD1-CD1 4.18Å
533	A	87.4	Confident	83.1	Confident	58 Å²	58	55.1 Å²	55.1	48%	0.479	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	145.6	166.4	0	0	0	0	0	110.3	I516	I516-A533 HydrophobicContact CD1-CB 4.39Å
534	L	84.6	Confident	84.1	Confident	23 Å²	23	50.7 Å²	50.7	12%	0.12	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-66.3	129.1	176.2	-79.6	167.1	0	0	0	110.8	G540 R542 V601	L534-G540 PolarHBondContact N-O 3Å; L534-R542 HydrophobicContact CD2-CB 3.87Å; L534-R542 HydrophobicContact CG-CB 4.43Å; L534-V601 HydrophobicContact CD1-CG2 3.98Å
535	P	71.8	Confident	85	Confident	55 Å²	55	44.3 Å²	44.3	36%	0.357	24%	0.238	S	C	.	.	S	Bend	trans	-75.5	137.5	176.7	27.3	-30.9	0	0	0	111.6	Y459	Y459-P535 HydrophobicContact CE1-CG 4.15Å
536	K	64.8	Low	85.6	Confident	206 Å²	206	43.6 Å²	43.6	90%	0.896	24%	0.236	S	C	*	.	S	Bend	trans	63.5	102	171.1	-58.4	179.3	-179.9	176.2	0	116.2	R538	K536-R538 PolarHBondContact O-N 3.04Å
537	G	63.4	Low	85.8	Confident	91 Å²	91	39.3 Å²	39.3	94%	0.938	22%	0.22	S	C	*	.	S	Bend	trans	73.6	-12.5	156.9	0	0	0	0	0	118
538	R	72.2	Confident	85.9	Confident	106 Å²	106	40.1 Å²	40.1	40%	0.4	23%	0.226	S	C	.	.			trans	-105.5	123.4	170	-78.7	-177.4	160.3	-156.2	-13.1	109.6	K536 E609	K536-R538 PolarHBondContact O-N 3.04Å; R538-E609 IonicContact NH1-OE1 3.45Å; R538-E609 PolarHBondContact NH1-OE1 3.4Å; R538-E609 IonicContact NH1-OE2 3.14Å; R538-E609 PolarHBondContact NH1-OE2 3.27Å
539	N	80.1	Confident	86	Confident	108 Å²	108	39 Å²	39	58%	0.578	22%	0.221	S	C	*	.			trans	-78.9	129.1	171.7	-70.2	-7.5	0	0	0	109.9	E602	N539-E602 HydrophobicContact CB-CB 4.27Å; N539-E602 HydrophobicContact CB-CG 3.95Å; N539-E602 WeakPolarHBondContact CB-OE2 3.24Å; N539-E602 PolarHBondContact ND2-OE2 2.77Å; N539-E602 PolarHBondContact O-N 3.4Å; N539-E602 VanDerWaalsContact O-N 3.08Å
540	G	86.6	Confident	86	Confident	10 Å²	10	42.4 Å²	42.4	10%	0.103	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154	-167.5	177.9	0	0	0	0	0	113	L534 F600	L534-G540 PolarHBondContact N-O 3Å; G540-F600 CarbonylContact C-O 3.57Å; G540-F600 WeakPolarHBondContact CA-O 3.49Å
541	Y	89.9	Confident	86	Confident	79 Å²	79	44.1 Å²	44.1	31%	0.31	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.1	-171.7	-55	-69.7	0	0	0	110.9	I516 I532 F600 I612 I616 W618	I516-Y541 HydrophobicContact CD1-CD1 3.19Å; I516-Y541 HydrophobicContact CD1-CE1 3.32Å; I516-Y541 HydrophobicContact CD1-CG 4.4Å; I532-Y541 CarbonylContact O-C 3.6Å; I532-Y541 WeakPolarHBondContact O-CA 3.43Å; Y541-F600 PolarHBondContact N-O 3.29Å; Y541-F600 PolarHBondContact O-N 2.95Å; Y541-I612 HydrophobicContact CD2-CD1 3.92Å; Y541-I612 HydrophobicContact CE2-CD1 4.24Å; Y541-I616 HydrophobicContact CD2-CD1 4.04Å; Y541-W618 HydrophobicContact CD1-CZ2 4.33Å; Y541-W618 AromaticContact CD2-CH2 3.96Å; Y541-W618 HydrophobicContact CD2-CH2 3.96Å; Y541-W618 AromaticContact CD2-CZ2 3.63Å; Y541-W618 HydrophobicContact CD2-CZ2 3.63Å; Y541-W618 AromaticContact CE2-CZ2 3.96Å; Y541-W618 HydrophobicContact CE2-CZ2 3.96Å; Y541-W618 AromaticContact CG-CH2 3.87Å; Y541-W618 HydrophobicContact CG-CH2 3.87Å; Y541-W618 AromaticContact CG-CZ2 3.81Å; Y541-W618 HydrophobicContact CG-CZ2 3.81Å
542	R	91.1	Very high	86	Confident	36 Å²	36	44.1 Å²	44.1	14%	0.136	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.5	172.5	172.4	168.1	-68.2	170.1	-0.5	109.5	M456 V531 I532 L534 L544 D599	M456-R542 PolarHBondContact SD-NH1 3.42Å; V531-R542 WeakPolarHBondContact CA-O 3.49Å; I532-R542 HydrophobicContact CD1-CB 4.45Å; I532-R542 HydrophobicContact CG1-CB 3.9Å; I532-R542 HydrophobicContact CG1-CG 4.37Å; I532-R542 PolarHBondContact N-O 3.39Å; I532-R542 PolarHBondContact O-N 3.26Å; L534-R542 HydrophobicContact CD2-CB 3.87Å; L534-R542 HydrophobicContact CG-CB 4.43Å; R542-L544 HydrophobicContact CG-CD2 3.81Å; R542-L544 HydrophobicContact CG-CG 4.23Å; R542-D599 WeakPolarHBondContact CB-OD1 3.34Å; R542-D599 WeakPolarHBondContact CD-OD1 3.35Å; R542-D599 WeakPolarHBondContact CG-OD1 3.4Å; R542-D599 IonicContact CZ-OD1 2.75Å; R542-D599 IonicContact CZ-OD2 2.61Å; R542-D599 IonicContact NE-OD1 2.71Å; R542-D599 PolarHBondContact NE-OD1 3.16Å; R542-D599 IonicContact NE-OD2 3.27Å; R542-D599 PolarHBondContact NE-OD2 2.88Å; R542-D599 IonicContact NH2-OD1 2.94Å; R542-D599 IonicContact NH2-OD2 3.47Å; R542-D599 PolarHBondContact NH2-OD2 3.17Å
543	L	92.6	Very high	86.1	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.9	170.8	178.3	76.5	0	0	0	108.8	Y519 V531 Y597 R598 F600 I624 L625 L628	Y519-L543 HydrophobicContact CE2-CD1 4.37Å; V531-L543 HydrophobicContact CG2-CD1 3.56Å; L543-Y597 CarbonylContact O-C 3.54Å; L543-Y597 WeakPolarHBondContact O-CA 3.26Å; L543-Y597 WeakPolarHBondContact O-CB 3.36Å; L543-R598 HydrophobicContact CB-CB 4.35Å; L543-R598 HydrophobicContact CD2-CB 4.34Å; L543-R598 PolarHBondContact N-O 2.91Å; L543-R598 PolarHBondContact O-N 2.95Å; L543-F600 HydrophobicContact CB-CE2 4.06Å; L543-I624 HydrophobicContact CD1-CG2 4.15Å; L543-I624 HydrophobicContact CD2-CG2 3.58Å; L543-I624 HydrophobicContact CG-CG2 4.44Å; L543-L625 HydrophobicContact CD2-CD2 3.97Å; L543-L628 HydrophobicContact CD2-CD2 4.09Å
544	L	94.2	Very high	86.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129	173.1	-57.5	173.7	0	0	0	108.3	Y459 I463 N464 S529 T530 I532 R542	Y459-L544 WeakPolarHBondContact O-CD1 3.26Å; I463-L544 HydrophobicContact CB-CD1 3.78Å; I463-L544 HydrophobicContact CD1-CD1 4.39Å; I463-L544 HydrophobicContact CG2-CD1 3.85Å; N464-L544 HydrophobicContact CB-CB 3.94Å; N464-L544 PolarHBondContact ND2-O 3.17Å; S529-L544 CarbonylContact C-O 3.6Å; S529-L544 WeakPolarHBondContact CA-O 3.4Å; S529-L544 VanDerWaalsContact CB-O 3.31Å; S529-L544 WeakPolarHBondContact CB-O 3.35Å; T530-L544 PolarHBondContact N-O 3.24Å; T530-L544 PolarHBondContact O-N 3.12Å; I532-L544 HydrophobicContact CD1-CD1 4.18Å; R542-L544 HydrophobicContact CG-CD2 3.81Å; R542-L544 HydrophobicContact CG-CG 4.23Å
545	S	93.7	Very high	86.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.2	-177.5	-162	0	0	0	0	111.9	N464 M528 S529 L552 A596	N464-S545 WeakPolarHBondContact ND2-CA 3.34Å; N464-S545 PolarHBondContact ND2-N 2.85Å; M528-S545 WeakPolarHBondContact O-CA 3.5Å; S529-S545 VanDerWaalsContact OG-CB 3.32Å; S529-S545 WeakPolarHBondContact OG-CB 3.35Å; S529-S545 PolarHBondContact OG-OG 3Å; S545-L552 WeakPolarHBondContact OG-CD2 3.44Å; S545-A596 PolarHBondContact N-O 3.14Å; S545-A596 PolarHBondContact O-N 3.26Å; S545-A596 VanDerWaalsContact O-O 3.07Å
546	K	94.1	Very high	87.6	Confident	18 Å²	18	49.8 Å²	49.8	8%	0.078	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.2	173.7	72.5	-178	-177.1	-170.9	0	109.9	N464 E489 S527 M528 L552 C594 L595	N464-K546 PolarHBondContact ND2-N 3.41Å; N464-K546 VanDerWaalsContact ND2-N 3.14Å; N464-K546 VanDerWaalsContact O-CD 3.27Å; N464-K546 WeakPolarHBondContact O-CD 3.3Å; N464-K546 WeakPolarHBondContact O-CE 3.47Å; N464-K546 PolarHBondContact O-NZ 3.18Å; E489-K546 VanDerWaalsContact CG-NZ 3.28Å; E489-K546 IonicContact OE1-NZ 3.29Å; E489-K546 PolarHBondContact OE1-NZ 2.96Å; S527-K546 CarbonylContact C-O 3.56Å; S527-K546 VanDerWaalsContact CA-O 3.24Å; S527-K546 WeakPolarHBondContact CA-O 3.32Å; S527-K546 WeakPolarHBondContact CB-O 3.38Å; M528-K546 HydrophobicContact CB-CG 4.18Å; M528-K546 PolarHBondContact N-O 3.45Å; M528-K546 PolarHBondContact O-N 2.97Å; M528-K546 WeakPolarHBondContact SD-CE 3.42Å; K546-L552 VanDerWaalsContact C-CD1 3.42Å; K546-C594 WeakPolarHBondContact CA-O 3.39Å; K546-L595 HydrophobicContact CB-CD2 3.73Å
547	G	92.2	Very high	88.8	Confident	7 Å²	7	44.1 Å²	44.1	7%	0.072	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.4	-176.5	-174.3	0	0	0	0	0	113.6	K526 S549 I593 C594	K526-G547 WeakPolarHBondContact O-CA 3.3Å; G547-S549 PolarHBondContact O-N 2.84Å; G547-I593 WeakPolarHBondContact O-CA 3.35Å; G547-C594 PolarHBondContact N-O 3.4Å; G547-C594 PolarHBondContact O-N 3.44Å
548	A	91.3	Very high	90.3	Very high	17 Å²	17	40.4 Å²	40.4	14%	0.14	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	129.2	176.5	0	0	0	0	0	110.5	K526 E550 V551 L552	K526-A548 HydrophobicContact CB-CB 4Å; K526-A548 HydrophobicContact CD-CB 4.28Å; K526-A548 PolarHBondContact O-N 3.26Å; A548-E550 VanDerWaalsContact C-N 3.26Å; A548-E550 PolarHBondContact O-N 3.2Å; A548-V551 HydrophobicContact CB-CB 4.49Å; A548-V551 HydrophobicContact CB-CG2 4.14Å; A548-V551 PolarHBondContact O-N 3.01Å; A548-L552 PolarHBondContact O-N 3.28Å
549	S	92.8	Very high	91.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-38.1	-171.7	-55.2	0	0	0	0	112.9	G547 V551 L553 T592 I593 C594	G547-S549 PolarHBondContact O-N 2.84Å; S549-V551 VanDerWaalsContact C-N 3.26Å; S549-V551 PolarHBondContact O-N 3.12Å; S549-L553 WeakPolarHBondContact O-CB 3.48Å; S549-L553 WeakPolarHBondContact O-CD1 3.37Å; S549-L553 WeakPolarHBondContact O-CG 3.49Å; S549-L553 PolarHBondContact O-N 3.22Å; S549-T592 WeakPolarHBondContact OG-CB 3.33Å; S549-T592 PolarHBondContact OG-O 2.99Å; S549-I593 VanDerWaalsContact OG-C 3.24Å; S549-I593 PolarHBondContact OG-N 2.7Å; S549-C594 PolarHBondContact OG-N 3.09Å
550	E	89.9	Confident	91.7	Very high	70 Å²	70	31.3 Å²	31.3	33%	0.327	14%	0.144	S	C	.	.	H	α-helix	trans	-68.3	-23.1	178.8	71.1	-80.1	-170.7	0	0	114.4	A548 R554 L578	A548-E550 VanDerWaalsContact C-N 3.26Å; A548-E550 PolarHBondContact O-N 3.2Å; E550-R554 WeakPolarHBondContact O-CD 3.45Å; E550-R554 WeakPolarHBondContact O-CG 3.33Å; E550-R554 PolarHBondContact O-NE 3.42Å; E550-L578 HydrophobicContact CB-CD2 4.03Å
551	V	90.9	Very high	91.5	Very high	40 Å²	40	31 Å²	31	24%	0.242	14%	0.141	C	C	.	.	H	α-helix	trans	-88.2	-51.7	178.4	-177.6	0	0	0	0	110.1	R525 K526 A548 S549 R554	R525-V551 WeakPolarHBondContact O-CG1 3.49Å; K526-V551 HydrophobicContact CB-CG2 4.32Å; K526-V551 HydrophobicContact CD-CG2 4.23Å; A548-V551 HydrophobicContact CB-CB 4.49Å; A548-V551 HydrophobicContact CB-CG2 4.14Å; A548-V551 PolarHBondContact O-N 3.01Å; S549-V551 VanDerWaalsContact C-N 3.26Å; S549-V551 PolarHBondContact O-N 3.12Å; V551-R554 PolarHBondContact O-N 3.42Å
552	L	92.1	Very high	91.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.4	-38.8	-178.2	-77.8	-175.3	0	0	0	112.8	S545 K546 A548 R554 K555 C556 C594 L628	S545-L552 WeakPolarHBondContact OG-CD2 3.44Å; K546-L552 VanDerWaalsContact C-CD1 3.42Å; A548-L552 PolarHBondContact O-N 3.28Å; L552-R554 PolarHBondContact O-N 3.46Å; L552-R554 VanDerWaalsContact O-N 3.14Å; L552-K555 CarbonylContact O-C 3.54Å; L552-K555 WeakPolarHBondContact O-CA 3.44Å; L552-K555 WeakPolarHBondContact O-CB 3.49Å; L552-K555 PolarHBondContact O-N 3.48Å; L552-C556 PolarHBondContact O-N 3.09Å; L552-C556 PolarHBondContact O-SG 3.47Å; L552-C594 HydrophobicContact CB-CB 3.97Å; L552-C594 HydrophobicContact CD1-CB 4.25Å; L552-C594 VanDerWaalsContact CD1-O 3.31Å; L552-C594 WeakPolarHBondContact CD1-O 3.4Å; L552-L628 HydrophobicContact CD2-CD1 3.87Å
553	L	92.2	Very high	90.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-27.1	177.8	-74.7	169.9	0	0	0	113	S549 K555 C556 L578 V582 C630 I633	S549-L553 WeakPolarHBondContact O-CB 3.48Å; S549-L553 WeakPolarHBondContact O-CD1 3.37Å; S549-L553 WeakPolarHBondContact O-CG 3.49Å; S549-L553 PolarHBondContact O-N 3.22Å; L553-K555 VanDerWaalsContact C-N 3.33Å; L553-C556 PolarHBondContact O-N 3.41Å; L553-L578 HydrophobicContact CB-CD2 4.49Å; L553-L578 HydrophobicContact CD1-CD2 3.84Å; L553-L578 HydrophobicContact CD1-CG 4.45Å; L553-V582 HydrophobicContact CD1-CG2 3.96Å; L553-C630 HydrophobicContact CD2-CB 4.4Å; L553-I633 HydrophobicContact CD1-CD1 3.82Å; L553-I633 HydrophobicContact CD2-CD1 4.14Å; L553-I633 HydrophobicContact CG-CD1 4.47Å
554	R	91.3	Very high	90.1	Very high	196 Å²	196	35.1 Å²	35.1	74%	0.74	17%	0.168	S	C	*	.	H	α-helix	trans	-75.7	-23.8	174.2	-67.7	178.1	-174.5	-165.4	1.2	112.9	E550 V551 L552	E550-R554 WeakPolarHBondContact O-CD 3.45Å; E550-R554 WeakPolarHBondContact O-CG 3.33Å; E550-R554 PolarHBondContact O-NE 3.42Å; V551-R554 PolarHBondContact O-N 3.42Å; L552-R554 PolarHBondContact O-N 3.46Å; L552-R554 VanDerWaalsContact O-N 3.14Å
555	K	91.3	Very high	89.7	Confident	50 Å²	50	40.3 Å²	40.3	22%	0.217	19%	0.192	C	C	.	.	H	α-helix	trans	-88.7	-10.4	175	-67.9	179.8	161.6	-143	0	112.2	L552 L553 D622 L625 N627 L628	L552-K555 CarbonylContact O-C 3.54Å; L552-K555 WeakPolarHBondContact O-CA 3.44Å; L552-K555 WeakPolarHBondContact O-CB 3.49Å; L552-K555 PolarHBondContact O-N 3.48Å; L553-K555 VanDerWaalsContact C-N 3.33Å; K555-D622 IonicContact NZ-OD1 2.67Å; K555-L625 HydrophobicContact CD-CB 4.41Å; K555-L625 VanDerWaalsContact CD-O 3.25Å; K555-L625 WeakPolarHBondContact CD-O 3.48Å; K555-N627 PolarHBondContact O-N 2.89Å; K555-L628 HydrophobicContact CB-CD1 4.02Å; K555-L628 HydrophobicContact CB-CG 4.48Å; K555-L628 PolarHBondContact O-N 2.93Å
556	C	92.2	Very high	89.3	Confident	11 Å²	11	41.4 Å²	41.4	7%	0.074	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.1	177.2	-64.8	0	0	0	0	111.8	L552 L553 L569 L628 C630	L552-C556 PolarHBondContact O-N 3.09Å; L552-C556 PolarHBondContact O-SG 3.47Å; L553-C556 PolarHBondContact O-N 3.41Å; C556-L569 HydrophobicContact CB-CD2 3.94Å; C556-L628 CarbonylContact C-O 3.36Å; C556-L628 WeakPolarHBondContact CA-O 3.48Å; C556-C630 HydrophobicContact CB-CB 4.18Å
557	Q	91.6	Very high	89.1	Confident	87 Å²	87	45.1 Å²	45.1	41%	0.407	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-18	170.8	-172	176.3	12.6	0	0	112	L569 N627 L628	Q557-L569 VanDerWaalsContact O-CB 3.32Å; Q557-L569 WeakPolarHBondContact O-CB 3.39Å; Q557-L569 PolarHBondContact O-N 3.15Å; Q557-N627 PolarHBondContact OE1-OD1 3.45Å; Q557-L628 PolarHBondContact N-O 2.93Å
558	F	93.1	Very high	89	Confident	13 Å²	13	50.9 Å²	50.9	6%	0.057	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	159.2	-179.2	-49.7	-79.6	0	0	0	111	P566 Q567 I568 F607 N608 L628 T629 C630	F558-P566 HydrophobicContact CB-CB 4.46Å; F558-Q567 CarbonylContact C-O 3.53Å; F558-Q567 WeakPolarHBondContact CA-O 3.47Å; F558-I568 HydrophobicContact CD1-CG1 4.3Å; F558-I568 HydrophobicContact CE1-CG1 4.16Å; F558-F607 HydrophobicContact CD1-CD2 4.07Å; F558-F607 AromaticContact CD1-CE2 3.78Å; F558-F607 HydrophobicContact CD1-CE2 3.78Å; F558-F607 AromaticContact CE1-CD2 3.63Å; F558-F607 HydrophobicContact CE1-CD2 3.63Å; F558-F607 AromaticContact CE1-CE2 3.85Å; F558-F607 HydrophobicContact CE1-CE2 3.85Å; F558-F607 HydrophobicContact CZ-CD2 4.39Å; F558-F607 VanDerWaalsContact CZ-O 3.24Å; F558-F607 WeakPolarHBondContact CZ-O 3.4Å; F558-N608 HydrophobicContact CD1-CB 4.24Å; F558-N608 HydrophobicContact CD2-CB 3.91Å; F558-N608 HydrophobicContact CE1-CB 4.43Å; F558-N608 HydrophobicContact CE2-CB 4.12Å; F558-N608 HydrophobicContact CG-CB 3.97Å; F558-N608 HydrophobicContact CZ-CB 4.37Å; F558-L628 PolarHBondContact N-O 3.05Å; F558-T629 HydrophobicContact CB-CG2 3.94Å; F558-T629 CarbonylContact O-C 3.47Å; F558-T629 WeakPolarHBondContact O-CA 3.22Å; F558-C630 PolarHBondContact O-N 2.93Å
559	I	92.1	Very high	88.8	Confident	16 Å²	16	50.8 Å²	50.8	8%	0.082	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.4	173.2	-171.4	165	0	0	0	109.5	Y434 G561 P566 Q567 L569 L577 C630	Y434-I559 HydrophobicContact CE1-CD1 4.02Å; I559-G561 PolarHBondContact O-N 3.34Å; I559-P566 CarbonylContact O-C 3.5Å; I559-Q567 PolarHBondContact N-O 3.1Å; I559-Q567 PolarHBondContact O-N 2.9Å; I559-L569 HydrophobicContact CB-CD1 4.08Å; I559-L569 HydrophobicContact CD1-CD1 4.27Å; I559-L569 HydrophobicContact CG2-CB 4.42Å; I559-L569 HydrophobicContact CG2-CD1 3.89Å; I559-L577 HydrophobicContact CD1-CD1 3.86Å; I559-C630 WeakPolarHBondContact CA-O 3.24Å; I559-C630 HydrophobicContact CB-CB 4.24Å; I559-C630 HydrophobicContact CD1-CB 4.48Å; I559-C630 HydrophobicContact CG1-CB 4.03Å
560	L	89.8	Confident	88.7	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	121	173.4	-63.4	-178.7	0	0	0	110.3	L453 P566 Y597 T629 C630 V631	L453-L560 HydrophobicContact CD1-CD1 3.76Å; L560-P566 HydrophobicContact CD2-CB 4.47Å; L560-P566 HydrophobicContact CD2-CG 4.07Å; L560-Y597 HydrophobicContact CD1-CE1 4.46Å; L560-Y597 HydrophobicContact CD2-CE1 4.35Å; L560-T629 HydrophobicContact CD2-CG2 4Å; L560-T629 HydrophobicContact CG-CG2 4.22Å; L560-C630 PolarHBondContact N-O 3.44Å; L560-V631 HydrophobicContact CD1-CB 4.28Å; L560-V631 HydrophobicContact CD1-CG1 4.02Å; L560-V631 HydrophobicContact CD1-CG2 4.17Å
561	G	84.1	Confident	88.6	Confident	5 Å²	5	56.7 Å²	56.7	5%	0.052	28%	0.275	C	S	.	.			trans	-75.3	-168.2	-178.8	0	0	0	0	0	114.2	I559 D563 G564 H565	I559-G561 PolarHBondContact O-N 3.34Å; G561-D563 VanDerWaalsContact C-N 3.26Å; G561-D563 PolarHBondContact O-N 3.43Å; G561-G564 PolarHBondContact O-N 3.34Å; G561-H565 PolarHBondContact N-O 3.41Å
562	E	83	Confident	88.6	Confident	117 Å²	117	63.4 Å²	63.4	55%	0.547	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.6	-179.3	-62	-170.1	165.9	0	0	113.6	K436 P450	K436-E562 WeakPolarHBondContact CE-O 3.47Å; K436-E562 VanDerWaalsContact CG-CA 3.49Å; K436-E562 HydrophobicContact CG-CB 4.04Å; K436-E562 HydrophobicContact CG-CG 4.43Å; K436-E562 VanDerWaalsContact CG-O 3.29Å; K436-E562 WeakPolarHBondContact CG-O 3.49Å; P450-E562 WeakPolarHBondContact CG-O 3.44Å
563	D	80.6	Confident	88.4	Confident	84 Å²	84	66.8 Å²	66.8	45%	0.449	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.7	177.6	53.2	-3.6	0	0	0	113	G561 H565	G561-D563 VanDerWaalsContact C-N 3.26Å; G561-D563 PolarHBondContact O-N 3.43Å; D563-H565 VanDerWaalsContact C-N 3.3Å; D563-H565 PolarHBondContact OD1-N 3.28Å; D563-H565 VanDerWaalsContact OD1-N 3.12Å; D563-H565 IonicContact OD2-CD2 2.78Å; D563-H565 PolarHBondContact OD2-CD2 2.89Å; D563-H565 IonicContact OD2-CG 3.07Å
564	G	79.5	Confident	88.3	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	81.1	7.2	-172.9	0	0	0	0	0	113.8	T452 G561	T452-G564 WeakPolarHBondContact CG2-O 3.48Å; G561-G564 PolarHBondContact O-N 3.34Å
565	H	85.2	Confident	88.3	Confident	109 Å²	109	64.5 Å²	64.5	51%	0.505	32%	0.315	S	S	.	.			trans	-90.5	147.5	172.3	-67.9	-58.6	0	0	0	110.9	G561 D563	G561-H565 PolarHBondContact N-O 3.41Å; D563-H565 VanDerWaalsContact C-N 3.3Å; D563-H565 PolarHBondContact OD1-N 3.28Å; D563-H565 VanDerWaalsContact OD1-N 3.12Å; D563-H565 IonicContact OD2-CD2 2.78Å; D563-H565 PolarHBondContact OD2-CD2 2.89Å; D563-H565 IonicContact OD2-CG 3.07Å
566	P	86.6	Confident	88.3	Confident	22 Å²	22	66.7 Å²	66.7	14%	0.143	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	144.8	175.5	-17.9	29.9	0	0	0	110.9	F558 I559 L560 F607 N608 T629	F558-P566 HydrophobicContact CB-CB 4.46Å; I559-P566 CarbonylContact O-C 3.5Å; L560-P566 HydrophobicContact CD2-CB 4.47Å; L560-P566 HydrophobicContact CD2-CG 4.07Å; P566-F607 HydrophobicContact CB-CE2 4.1Å; P566-F607 HydrophobicContact CB-CZ 3.75Å; P566-F607 HydrophobicContact CG-CZ 4.43Å; P566-F607 VanDerWaalsContact O-CZ 3.28Å; P566-F607 WeakPolarHBondContact O-CZ 3.47Å; P566-N608 HydrophobicContact CB-CB 3.99Å; P566-N608 HydrophobicContact CG-CB 4.21Å; P566-T629 HydrophobicContact CB-CG2 4.36Å
567	Q	89.5	Confident	88.3	Confident	96 Å²	96	66.1 Å²	66.1	45%	0.449	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.4	173.5	-63.3	-176.2	3	0	0	108.7	F558 I559 L569	F558-Q567 CarbonylContact C-O 3.53Å; F558-Q567 WeakPolarHBondContact CA-O 3.47Å; I559-Q567 PolarHBondContact N-O 3.1Å; I559-Q567 PolarHBondContact O-N 2.9Å; Q567-L569 PolarHBondContact O-N 3.2Å
568	I	89.9	Confident	88.3	Confident	129 Å²	129	63.8 Å²	63.8	66%	0.662	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	122.8	179.4	-61.4	169.9	0	0	0	109.5	F558 S570	F558-I568 HydrophobicContact CD1-CG1 4.3Å; F558-I568 HydrophobicContact CE1-CG1 4.16Å; I568-S570 PolarHBondContact O-N 3.13Å
569	L	87.9	Confident	88.2	Confident	14 Å²	14	69.6 Å²	69.6	7%	0.073	34%	0.338	C	S	.	.			trans	-83.5	96.1	-179.9	-173.7	64.2	0	0	0	109.8	C556 Q557 I559 Q567 M573 V574 L577	C556-L569 HydrophobicContact CB-CD2 3.94Å; Q557-L569 VanDerWaalsContact O-CB 3.32Å; Q557-L569 WeakPolarHBondContact O-CB 3.39Å; Q557-L569 PolarHBondContact O-N 3.15Å; I559-L569 HydrophobicContact CB-CD1 4.08Å; I559-L569 HydrophobicContact CD1-CD1 4.27Å; I559-L569 HydrophobicContact CG2-CB 4.42Å; I559-L569 HydrophobicContact CG2-CD1 3.89Å; Q567-L569 PolarHBondContact O-N 3.2Å; L569-M573 HydrophobicContact CD1-CB 4.01Å; L569-M573 HydrophobicContact CD1-CG 3.77Å; L569-V574 HydrophobicContact CD1-CG2 4.3Å; L569-V574 HydrophobicContact CD2-CG2 3.68Å; L569-V574 HydrophobicContact CG-CG2 3.6Å; L569-L577 HydrophobicContact CD1-CD1 4.11Å
570	S	89	Confident	88.1	Confident	61 Å²	61	72 Å²	72	43%	0.427	35%	0.35	S	S	.	.			trans	-64.9	149.1	177	72.3	0	0	0	0	112.4	I568 K572 M573 V574	I568-S570 PolarHBondContact O-N 3.13Å; S570-K572 PolarHBondContact O-N 3.37Å; S570-K572 VanDerWaalsContact O-N 3.15Å; S570-M573 WeakPolarHBondContact O-CA 3.38Å; S570-M573 WeakPolarHBondContact O-CB 3.18Å; S570-M573 PolarHBondContact O-N 3.32Å; S570-M573 WeakPolarHBondContact OG-CB 3.49Å; S570-M573 PolarHBondContact OG-N 3.05Å; S570-V574 PolarHBondContact O-N 2.81Å
571	E	88.8	Confident	88.1	Confident	133 Å²	133	71.9 Å²	71.9	62%	0.621	35%	0.35	S	S	*	.	H	α-helix	trans	-58	-32	177.8	-161.6	-162.7	152.1	0	0	112.5	V574 K575	E571-V574 PolarHBondContact O-N 3.42Å; E571-K575 WeakPolarHBondContact O-CG 3.4Å; E571-K575 PolarHBondContact O-N 2.68Å; E571-K575 WeakPolarHBondContact OE1-CE 3.01Å; E571-K575 IonicContact OE1-NZ 2.68Å; E571-K575 PolarHBondContact OE1-NZ 2.87Å
572	K	90	Very high	88.5	Confident	182 Å²	182	72.1 Å²	72.1	79%	0.791	35%	0.351	S	S	*	.	H	α-helix	trans	-63	-42	173.4	-69.4	-176.5	-178.7	177.3	0	111.5	S570 K575 H576	S570-K572 PolarHBondContact O-N 3.37Å; S570-K572 VanDerWaalsContact O-N 3.15Å; K572-K575 PolarHBondContact O-N 3.02Å; K572-H576 WeakPolarHBondContact O-CB 3.33Å; K572-H576 PolarHBondContact O-N 2.62Å
573	M	88.9	Confident	88.7	Confident	71 Å²	71	72.2 Å²	72.2	35%	0.35	35%	0.351	S	S	.	.	H	α-helix	trans	-68.4	-41.7	177	-168.1	63.9	149.5	0	0	111.2	L569 S570 K575 H576 L577	L569-M573 HydrophobicContact CD1-CB 4.01Å; L569-M573 HydrophobicContact CD1-CG 3.77Å; S570-M573 WeakPolarHBondContact O-CA 3.38Å; S570-M573 WeakPolarHBondContact O-CB 3.18Å; S570-M573 PolarHBondContact O-N 3.32Å; S570-M573 WeakPolarHBondContact OG-CB 3.49Å; S570-M573 PolarHBondContact OG-N 3.05Å; M573-K575 VanDerWaalsContact C-N 3.34Å; M573-K575 PolarHBondContact O-N 2.89Å; M573-H576 WeakPolarHBondContact O-CB 3.49Å; M573-H576 PolarHBondContact O-N 2.8Å; M573-H576 VanDerWaalsContact O-N 3.14Å; M573-L577 HydrophobicContact CG-CD1 4.29Å; M573-L577 HydrophobicContact CG-CG 4.42Å; M573-L577 WeakPolarHBondContact O-CG 3.3Å; M573-L577 PolarHBondContact O-N 3.37Å
574	V	90.5	Very high	89.1	Confident	21 Å²	21	72 Å²	72	13%	0.127	35%	0.35	C	S	.	.	H	α-helix	trans	-55.9	-49.4	173.7	-179.8	0	0	0	0	110.8	L569 S570 E571 H576 L577 L578	L569-V574 HydrophobicContact CD1-CG2 4.3Å; L569-V574 HydrophobicContact CD2-CG2 3.68Å; L569-V574 HydrophobicContact CG-CG2 3.6Å; S570-V574 PolarHBondContact O-N 2.81Å; E571-V574 PolarHBondContact O-N 3.42Å; V574-H576 VanDerWaalsContact C-N 3.32Å; V574-H576 PolarHBondContact O-N 3.21Å; V574-L577 PolarHBondContact O-N 3.05Å; V574-L578 HydrophobicContact CG1-CD1 3.91Å; V574-L578 HydrophobicContact CG1-CG 4.38Å; V574-L578 WeakPolarHBondContact O-CB 3.45Å; V574-L578 VanDerWaalsContact O-CG 3.3Å; V574-L578 WeakPolarHBondContact O-CG 3.24Å; V574-L578 PolarHBondContact O-N 3.27Å
575	K	91.5	Very high	89.6	Confident	126 Å²	126	72 Å²	72	55%	0.548	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-39.5	177.2	-73.1	175.6	-175.5	165.3	0	112.1	E571 K572 M573 K579	E571-K575 WeakPolarHBondContact O-CG 3.4Å; E571-K575 PolarHBondContact O-N 2.68Å; E571-K575 WeakPolarHBondContact OE1-CE 3.01Å; E571-K575 IonicContact OE1-NZ 2.68Å; E571-K575 PolarHBondContact OE1-NZ 2.87Å; K572-K575 PolarHBondContact O-N 3.02Å; M573-K575 VanDerWaalsContact C-N 3.34Å; M573-K575 PolarHBondContact O-N 2.89Å; K575-K579 WeakPolarHBondContact O-CB 3.14Å; K575-K579 PolarHBondContact O-N 3.36Å; K575-K579 VanDerWaalsContact O-N 3.08Å
576	H	91.4	Very high	89.5	Confident	96 Å²	96	68.6 Å²	68.6	44%	0.444	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-48.2	175.5	-179.8	97.1	0	0	0	111.8	K572 M573 V574 K579 N580	K572-H576 WeakPolarHBondContact O-CB 3.33Å; K572-H576 PolarHBondContact O-N 2.62Å; M573-H576 WeakPolarHBondContact O-CB 3.49Å; M573-H576 PolarHBondContact O-N 2.8Å; M573-H576 VanDerWaalsContact O-N 3.14Å; V574-H576 VanDerWaalsContact C-N 3.32Å; V574-H576 PolarHBondContact O-N 3.21Å; H576-K579 PolarHBondContact O-N 3.11Å; H576-N580 PolarHBondContact CE1-ND2 2.89Å; H576-N580 PolarHBondContact ND1-ND2 3.48Å; H576-N580 VanDerWaalsContact O-CB 3.3Å; H576-N580 WeakPolarHBondContact O-CB 3.47Å; H576-N580 PolarHBondContact O-N 3.49Å
577	L	91.5	Very high	89.3	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.354	C	S	.	.	I	π-helix	trans	-63.4	-43.8	179.3	-68.6	175.1	0	0	0	111.6	Y434 I559 L569 M573 V574 K579 V581 V582	Y434-L577 HydrophobicContact CD1-CD2 4.24Å; Y434-L577 HydrophobicContact CD2-CD2 4.42Å; Y434-L577 HydrophobicContact CE1-CD2 3.62Å; Y434-L577 HydrophobicContact CE2-CD2 3.84Å; I559-L577 HydrophobicContact CD1-CD1 3.86Å; L569-L577 HydrophobicContact CD1-CD1 4.11Å; M573-L577 HydrophobicContact CG-CD1 4.29Å; M573-L577 HydrophobicContact CG-CG 4.42Å; M573-L577 WeakPolarHBondContact O-CG 3.3Å; M573-L577 PolarHBondContact O-N 3.37Å; V574-L577 PolarHBondContact O-N 3.05Å; L577-K579 PolarHBondContact O-N 3.31Å; L577-V581 HydrophobicContact CD2-CG2 4.06Å; L577-V581 WeakPolarHBondContact O-CA 3.26Å; L577-V581 VanDerWaalsContact O-CB 3.32Å; L577-V581 WeakPolarHBondContact O-CB 3.06Å; L577-V581 PolarHBondContact O-N 3.35Å; L577-V582 PolarHBondContact O-N 3.23Å
578	L	91.8	Very high	89	Confident	37 Å²	37	69.7 Å²	69.7	19%	0.194	35%	0.353	C	S	.	.	I	π-helix	trans	-61.1	-46.3	177.8	-71.1	173.5	0	0	0	112.1	E550 L553 V574 V582 E583	E550-L578 HydrophobicContact CB-CD2 4.03Å; L553-L578 HydrophobicContact CB-CD2 4.49Å; L553-L578 HydrophobicContact CD1-CD2 3.84Å; L553-L578 HydrophobicContact CD1-CG 4.45Å; V574-L578 HydrophobicContact CG1-CD1 3.91Å; V574-L578 HydrophobicContact CG1-CG 4.38Å; V574-L578 WeakPolarHBondContact O-CB 3.45Å; V574-L578 VanDerWaalsContact O-CG 3.3Å; V574-L578 WeakPolarHBondContact O-CG 3.24Å; V574-L578 PolarHBondContact O-N 3.27Å; L578-V582 HydrophobicContact CD2-CG2 4.4Å; L578-V582 WeakPolarHBondContact O-CB 3.36Å; L578-E583 WeakPolarHBondContact O-CB 3.37Å; L578-E583 PolarHBondContact O-N 3.35Å
579	K	90.1	Very high	88.4	Confident	136 Å²	136	64 Å²	64	59%	0.591	33%	0.326	S	S	*	.	I	π-helix	trans	-80.2	-44.5	-176	-172.6	177.9	-179.3	179.3	0	113.6	K575 H576 L577 E583	K575-K579 WeakPolarHBondContact O-CB 3.14Å; K575-K579 PolarHBondContact O-N 3.36Å; K575-K579 VanDerWaalsContact O-N 3.08Å; H576-K579 PolarHBondContact O-N 3.11Å; L577-K579 PolarHBondContact O-N 3.31Å; K579-E583 WeakPolarHBondContact O-CB 3.47Å
580	N	90.1	Very high	88.5	Confident	65 Å²	65	63.8 Å²	63.8	35%	0.348	33%	0.325	S	S	.	.	I	π-helix	trans	-94.7	-20.9	-170.8	-63.3	-34.3	0	0	0	113.5	H576 N584	H576-N580 PolarHBondContact CE1-ND2 2.89Å; H576-N580 PolarHBondContact ND1-ND2 3.48Å; H576-N580 VanDerWaalsContact O-CB 3.3Å; H576-N580 WeakPolarHBondContact O-CB 3.47Å; H576-N580 PolarHBondContact O-N 3.49Å; N580-N584 WeakPolarHBondContact O-CB 3.49Å; N580-N584 PolarHBondContact O-ND2 3.22Å
581	V	90.8	Very high	88.4	Confident	6 Å²	6	67 Å²	67	4%	0.036	33%	0.327	C	S	.	.	I	π-helix	trans	-109.8	-59.9	179.8	-174.5	0	0	0	0	109.9	Y434 L577 N584 M585	Y434-V581 HydrophobicContact CD2-CG1 4.06Å; Y434-V581 HydrophobicContact CD2-CG2 4.02Å; Y434-V581 HydrophobicContact CE2-CG2 4.19Å; Y434-V581 HydrophobicContact CG-CG1 4.29Å; L577-V581 HydrophobicContact CD2-CG2 4.06Å; L577-V581 WeakPolarHBondContact O-CA 3.26Å; L577-V581 VanDerWaalsContact O-CB 3.32Å; L577-V581 WeakPolarHBondContact O-CB 3.06Å; L577-V581 PolarHBondContact O-N 3.35Å; V581-N584 PolarHBondContact O-N 3.07Å; V581-M585 HydrophobicContact CG1-CE 3.78Å; V581-M585 HydrophobicContact CG1-SD 4.32Å; V581-M585 WeakPolarHBondContact O-CB 3.1Å; V581-M585 VanDerWaalsContact O-CG 3.28Å; V581-M585 WeakPolarHBondContact O-CG 2.96Å; V581-M585 PolarHBondContact O-N 3.25Å
582	V	91.2	Very high	88.5	Confident	10 Å²	10	61.4 Å²	61.4	6%	0.061	30%	0.303	C	S	.	.	I	π-helix	trans	-66.7	-50.7	-174.5	179.2	0	0	0	0	111.6	L553 L577 L578 N584 M585 A586 T592 I633	L553-V582 HydrophobicContact CD1-CG2 3.96Å; L577-V582 PolarHBondContact O-N 3.23Å; L578-V582 HydrophobicContact CD2-CG2 4.4Å; L578-V582 WeakPolarHBondContact O-CB 3.36Å; V582-N584 VanDerWaalsContact C-N 3.35Å; V582-N584 PolarHBondContact O-N 3.43Å; V582-M585 PolarHBondContact O-N 3.34Å; V582-A586 VanDerWaalsContact O-CB 3.3Å; V582-A586 WeakPolarHBondContact O-CB 3.49Å; V582-A586 PolarHBondContact O-N 2.9Å; V582-T592 HydrophobicContact CG1-CG2 4.18Å; V582-I633 HydrophobicContact CG2-CD1 4.29Å; V582-I633 HydrophobicContact CG2-CG2 4.41Å
583	E	88.3	Confident	88.7	Confident	118 Å²	118	53.8 Å²	53.8	55%	0.551	27%	0.27	S	S	*	.	H	α-helix	trans	-65.2	-37.7	179.2	-170	179.3	179	0	0	111.9	L578 K579 A586 S587	L578-E583 WeakPolarHBondContact O-CB 3.37Å; L578-E583 PolarHBondContact O-N 3.35Å; K579-E583 WeakPolarHBondContact O-CB 3.47Å; E583-A586 PolarHBondContact O-N 3.46Å; E583-S587 VanDerWaalsContact O-CB 3.29Å; E583-S587 WeakPolarHBondContact O-CB 3.37Å; E583-S587 PolarHBondContact O-N 2.86Å; E583-S587 PolarHBondContact O-OG 3.47Å
584	N	88.8	Confident	89	Confident	81 Å²	81	50.4 Å²	50.4	43%	0.433	25%	0.254	S	S	.	.	H	α-helix	trans	-64.3	-44.4	173.8	-84.6	-18.3	0	0	0	112.3	N580 V581 V582 S587 N588	N580-N584 WeakPolarHBondContact O-CB 3.49Å; N580-N584 PolarHBondContact O-ND2 3.22Å; V581-N584 PolarHBondContact O-N 3.07Å; V582-N584 VanDerWaalsContact C-N 3.35Å; V582-N584 PolarHBondContact O-N 3.43Å; N584-S587 PolarHBondContact O-N 2.98Å; N584-S587 PolarHBondContact O-OG 3.32Å; N584-N588 PolarHBondContact O-N 3.03Å; N584-N588 PolarHBondContact O-ND2 2.94Å
585	M	89.3	Confident	89.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-46.5	173.4	-75.9	-177	-178.1	0	0	111.1	Q432 H439 V581 V582 S587 N588 G589 L590 T592 I633	Q432-M585 HydrophobicContact CB-CE 3.95Å; H439-M585 WeakPolarHBondContact CD2-CE 3.39Å; H439-M585 WeakPolarHBondContact NE2-CE 3.4Å; V581-M585 HydrophobicContact CG1-CE 3.78Å; V581-M585 HydrophobicContact CG1-SD 4.32Å; V581-M585 WeakPolarHBondContact O-CB 3.1Å; V581-M585 VanDerWaalsContact O-CG 3.28Å; V581-M585 WeakPolarHBondContact O-CG 2.96Å; V581-M585 PolarHBondContact O-N 3.25Å; V582-M585 PolarHBondContact O-N 3.34Å; M585-S587 PolarHBondContact O-N 3.38Å; M585-N588 PolarHBondContact O-N 3.3Å; M585-G589 PolarHBondContact O-N 3.39Å; M585-L590 HydrophobicContact CB-CB 4.24Å; M585-L590 HydrophobicContact CB-CD1 4.07Å; M585-L590 HydrophobicContact CG-CD1 4.14Å; M585-L590 VanDerWaalsContact O-CB 3.26Å; M585-L590 WeakPolarHBondContact O-CB 3.26Å; M585-L590 WeakPolarHBondContact O-CG 3.2Å; M585-L590 PolarHBondContact O-N 2.84Å; M585-T592 HydrophobicContact CB-CG2 3.47Å; M585-T592 VanDerWaalsContact CB-CG2 3.47Å; M585-T592 HydrophobicContact CG-CG2 4.33Å; M585-T592 HydrophobicContact SD-CG2 3.91Å; M585-I633 HydrophobicContact SD-CG2 4.39Å
586	A	84.1	Confident	89.4	Confident	36 Å²	36	43.4 Å²	43.4	30%	0.298	22%	0.221	S	C	.	.	H	α-helix	trans	-64.3	-37.8	179.7	0	0	0	0	0	112.9	V582 E583 N588 G589	V582-A586 VanDerWaalsContact O-CB 3.3Å; V582-A586 WeakPolarHBondContact O-CB 3.49Å; V582-A586 PolarHBondContact O-N 2.9Å; E583-A586 PolarHBondContact O-N 3.46Å; A586-N588 VanDerWaalsContact C-N 3.26Å; A586-N588 PolarHBondContact O-N 3.36Å; A586-G589 WeakPolarHBondContact O-CA 3.32Å; A586-G589 PolarHBondContact O-N 3.45Å
587	S	82	Confident	89.5	Confident	61 Å²	61	39.4 Å²	39.4	43%	0.427	20%	0.202	S	C	.	.	H	α-helix	trans	-64.1	-31.6	177	74	0	0	0	0	112.6	E583 N584 M585 G589	E583-S587 VanDerWaalsContact O-CB 3.29Å; E583-S587 WeakPolarHBondContact O-CB 3.37Å; E583-S587 PolarHBondContact O-N 2.86Å; E583-S587 PolarHBondContact O-OG 3.47Å; N584-S587 PolarHBondContact O-N 2.98Å; N584-S587 PolarHBondContact O-OG 3.32Å; M585-S587 PolarHBondContact O-N 3.38Å; S587-G589 PolarHBondContact O-N 3.16Å
588	N	83.3	Confident	89.6	Confident	81 Å²	81	39.9 Å²	39.9	43%	0.433	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	1.4	172.5	-69.6	-52.7	0	0	0	113	N584 M585 A586 L590 S671	N584-N588 PolarHBondContact O-N 3.03Å; N584-N588 PolarHBondContact O-ND2 2.94Å; M585-N588 PolarHBondContact O-N 3.3Å; A586-N588 VanDerWaalsContact C-N 3.26Å; A586-N588 PolarHBondContact O-N 3.36Å; N588-L590 HydrophobicContact CB-CG 4.42Å; N588-S671 WeakPolarHBondContact O-CB 3.42Å; N588-S671 PolarHBondContact O-OG 3.17Å
589	G	78	Confident	89.5	Confident	9 Å²	9	38.3 Å²	38.3	9%	0.093	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	12.5	178.4	0	0	0	0	0	114.7	M585 A586 S587 T668	M585-G589 PolarHBondContact O-N 3.39Å; A586-G589 WeakPolarHBondContact O-CA 3.32Å; A586-G589 PolarHBondContact O-N 3.45Å; S587-G589 PolarHBondContact O-N 3.16Å; G589-T668 WeakPolarHBondContact CA-OG1 2.85Å; G589-T668 PolarHBondContact O-OG1 2.9Å
590	L	88.4	Confident	89.5	Confident	9 Å²	9	32.2 Å²	32.2	5%	0.047	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-81.2	137.4	178.4	-51.7	175.5	0	0	0	110.5	Q432 M585 N588 I636 Q637	Q432-L590 HydrophobicContact CB-CD1 4.05Å; Q432-L590 HydrophobicContact CG-CD1 3.64Å; M585-L590 HydrophobicContact CB-CB 4.24Å; M585-L590 HydrophobicContact CB-CD1 4.07Å; M585-L590 HydrophobicContact CG-CD1 4.14Å; M585-L590 VanDerWaalsContact O-CB 3.26Å; M585-L590 WeakPolarHBondContact O-CB 3.26Å; M585-L590 WeakPolarHBondContact O-CG 3.2Å; M585-L590 PolarHBondContact O-N 2.84Å; N588-L590 HydrophobicContact CB-CG 4.42Å; L590-I636 CarbonylContact C-O 3.47Å; L590-I636 WeakPolarHBondContact CA-O 3.44Å; L590-Q637 HydrophobicContact CD2-CB 3.56Å; L590-Q637 HydrophobicContact CD2-CG 3.79Å
591	R	87.3	Confident	89.3	Confident	128 Å²	128	29.2 Å²	29.2	48%	0.483	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	116.2	168	175.4	176.3	-76	174.1	-2	108.7	T488 I593 I636	T488-R591 PolarHBondContact OG1-NH1 3.01Å; T488-R591 VanDerWaalsContact OG1-NH1 3.11Å; R591-I593 HydrophobicContact CG-CD1 4.4Å; R591-I593 HydrophobicContact CG-CG1 4.48Å; R591-I636 HydrophobicContact CB-CB 4.37Å; R591-I636 PolarHBondContact N-O 2.92Å; R591-I636 PolarHBondContact O-N 2.89Å
592	T	91.9	Very high	88.7	Confident	16 Å²	16	34 Å²	34	10%	0.098	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.8	-178.3	53.4	0	0	0	0	111.1	S549 V582 M585 V634	S549-T592 WeakPolarHBondContact OG-CB 3.33Å; S549-T592 PolarHBondContact OG-O 2.99Å; V582-T592 HydrophobicContact CG1-CG2 4.18Å; M585-T592 HydrophobicContact CB-CG2 3.47Å; M585-T592 VanDerWaalsContact CB-CG2 3.47Å; M585-T592 HydrophobicContact CG-CG2 4.33Å; M585-T592 HydrophobicContact SD-CG2 3.91Å; T592-V634 WeakPolarHBondContact CA-O 3.41Å
593	I	93.8	Very high	87.8	Confident	22 Å²	22	37.3 Å²	37.3	11%	0.113	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.7	174.9	-61.2	-64	0	0	0	108.6	T488 G547 S549 R591 L595 I633 V634 I636	T488-I593 HydrophobicContact CG2-CD1 4.34Å; T488-I593 HydrophobicContact CG2-CG1 4.1Å; G547-I593 WeakPolarHBondContact O-CA 3.35Å; S549-I593 VanDerWaalsContact OG-C 3.24Å; S549-I593 PolarHBondContact OG-N 2.7Å; R591-I593 HydrophobicContact CG-CD1 4.4Å; R591-I593 HydrophobicContact CG-CG1 4.48Å; I593-L595 HydrophobicContact CG2-CD2 4.24Å; I593-I633 CarbonylContact O-C 3.5Å; I593-I633 WeakPolarHBondContact O-CA 3.19Å; I593-V634 HydrophobicContact CB-CG2 3.95Å; I593-V634 PolarHBondContact N-O 3.18Å; I593-V634 PolarHBondContact O-N 3.18Å; I593-I636 HydrophobicContact CB-CD1 4.45Å; I593-I636 HydrophobicContact CG1-CD1 3.8Å
594	C	95.2	Very high	87.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.5	169.8	-175.2	0	0	0	0	109.1	K546 G547 S549 L552 C630 S632	K546-C594 WeakPolarHBondContact CA-O 3.39Å; G547-C594 PolarHBondContact N-O 3.4Å; G547-C594 PolarHBondContact O-N 3.44Å; S549-C594 PolarHBondContact OG-N 3.09Å; L552-C594 HydrophobicContact CB-CB 3.97Å; L552-C594 HydrophobicContact CD1-CB 4.25Å; L552-C594 VanDerWaalsContact CD1-O 3.31Å; L552-C594 WeakPolarHBondContact CD1-O 3.4Å; C594-C630 VanDerWaalsContact SG-SG 3.62Å; C594-S632 WeakPolarHBondContact CA-O 3.18Å
595	L	95.3	Very high	86.3	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.1	168.7	-57.3	-177.5	0	0	0	108	L457 C460 I461 L492 K546 I593 V631 S632	L457-L595 HydrophobicContact CD2-CD1 4.34Å; C460-L595 HydrophobicContact CB-CB 4.43Å; C460-L595 HydrophobicContact CB-CD1 4.41Å; I461-L595 HydrophobicContact CD1-CD1 3.95Å; I461-L595 HydrophobicContact CG1-CD1 3.56Å; L492-L595 HydrophobicContact CD1-CD2 4.35Å; K546-L595 HydrophobicContact CB-CD2 3.73Å; I593-L595 HydrophobicContact CG2-CD2 4.24Å; L595-V631 HydrophobicContact CB-CB 4.39Å; L595-V631 PolarHBondContact O-N 3.44Å; L595-S632 WeakPolarHBondContact CD1-OG 3.2Å; L595-S632 PolarHBondContact N-O 3.19Å; L595-S632 PolarHBondContact O-N 2.85Å
596	A	94.9	Very high	85.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	159	-179	0	0	0	0	0	110.6	S545 L628 T629	S545-A596 PolarHBondContact N-O 3.14Å; S545-A596 PolarHBondContact O-N 3.26Å; S545-A596 VanDerWaalsContact O-O 3.07Å; A596-L628 HydrophobicContact CB-CB 4.07Å; A596-L628 HydrophobicContact CB-CD1 4.24Å; A596-T629 CarbonylContact C-O 3.55Å; A596-T629 WeakPolarHBondContact CA-O 3.35Å; A596-T629 WeakPolarHBondContact CB-O 3.28Å
597	Y	94.5	Very high	85.6	Confident	12 Å²	12	43.9 Å²	43.9	5%	0.047	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	164.1	174.3	77.7	-76.3	0	0	0	111.6	M456 L543 L560 T629 V631	M456-Y597 HydrophobicContact CE-CD1 3.41Å; M456-Y597 VanDerWaalsContact CE-CD1 3.41Å; M456-Y597 HydrophobicContact CE-CD2 3.39Å; M456-Y597 HydrophobicContact CE-CE1 3.67Å; M456-Y597 HydrophobicContact CE-CE2 3.66Å; M456-Y597 HydrophobicContact CE-CG 3.24Å; L543-Y597 CarbonylContact O-C 3.54Å; L543-Y597 WeakPolarHBondContact O-CA 3.26Å; L543-Y597 WeakPolarHBondContact O-CB 3.36Å; L560-Y597 HydrophobicContact CD1-CE1 4.46Å; L560-Y597 HydrophobicContact CD2-CE1 4.35Å; Y597-T629 HydrophobicContact CD1-CG2 4.21Å; Y597-T629 VanDerWaalsContact CE1-CB 3.49Å; Y597-T629 HydrophobicContact CE1-CG2 3.45Å; Y597-T629 VanDerWaalsContact CE1-CG2 3.45Å; Y597-T629 PolarHBondContact N-O 3.03Å; Y597-T629 PolarHBondContact O-N 3.12Å; Y597-V631 HydrophobicContact CD1-CG2 3.45Å; Y597-V631 VanDerWaalsContact CD1-CG2 3.45Å; Y597-V631 HydrophobicContact CE1-CG2 3.97Å
598	R	92.5	Very high	85.6	Confident	10 Å²	10	41.6 Å²	41.6	4%	0.038	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	136	169.5	-175.9	178.9	-173	170.4	10.8	108.7	L543 F600 E610 A623 I624 T626 L628	L543-R598 HydrophobicContact CB-CB 4.35Å; L543-R598 HydrophobicContact CD2-CB 4.34Å; L543-R598 PolarHBondContact N-O 2.91Å; L543-R598 PolarHBondContact O-N 2.95Å; R598-F600 HydrophobicContact CG-CE2 4.15Å; R598-F600 HydrophobicContact CG-CZ 4.15Å; R598-E610 IonicContact CZ-OE2 3.21Å; R598-E610 IonicContact NE-OE2 3.85Å; R598-E610 PolarHBondContact NE-OE2 2.93Å; R598-E610 IonicContact NH2-OE1 3.29Å; R598-E610 IonicContact NH2-OE2 3.21Å; R598-E610 PolarHBondContact NH2-OE2 2.93Å; R598-A623 PolarHBondContact NH1-O 3.43Å; R598-I624 PolarHBondContact NH1-O 3.4Å; R598-T626 WeakPolarHBondContact CD-O 3.5Å; R598-T626 VanDerWaalsContact CZ-O 3.26Å; R598-T626 VanDerWaalsContact NH1-C 3.33Å; R598-T626 PolarHBondContact NH1-O 3.4Å; R598-T626 PolarHBondContact NH1-OG1 3.2Å; R598-L628 HydrophobicContact CB-CD2 3.79Å
599	D	90.6	Very high	85.6	Confident	5 Å²	5	39 Å²	39	3%	0.027	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.6	179.8	-72.4	-11.8	0	0	0	109.5	R542 E609 E610	R542-D599 WeakPolarHBondContact CB-OD1 3.34Å; R542-D599 WeakPolarHBondContact CD-OD1 3.35Å; R542-D599 WeakPolarHBondContact CG-OD1 3.4Å; R542-D599 IonicContact CZ-OD1 2.75Å; R542-D599 IonicContact CZ-OD2 2.61Å; R542-D599 IonicContact NE-OD1 2.71Å; R542-D599 PolarHBondContact NE-OD1 3.16Å; R542-D599 IonicContact NE-OD2 3.27Å; R542-D599 PolarHBondContact NE-OD2 2.88Å; R542-D599 IonicContact NH2-OD1 2.94Å; R542-D599 IonicContact NH2-OD2 3.47Å; R542-D599 PolarHBondContact NH2-OD2 3.17Å; D599-E609 HydrophobicContact CB-CG 4.03Å; D599-E609 WeakPolarHBondContact O-CA 3.41Å; D599-E610 PolarHBondContact O-N 2.85Å
600	F	88.9	Confident	85.8	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.035	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.2	174.2	-59.4	-90.8	0	0	0	107.3	G540 Y541 L543 R598 E610 I612 I616 I624	G540-F600 CarbonylContact C-O 3.57Å; G540-F600 WeakPolarHBondContact CA-O 3.49Å; Y541-F600 PolarHBondContact N-O 3.29Å; Y541-F600 PolarHBondContact O-N 2.95Å; L543-F600 HydrophobicContact CB-CE2 4.06Å; R598-F600 HydrophobicContact CG-CE2 4.15Å; R598-F600 HydrophobicContact CG-CZ 4.15Å; F600-E610 CarbonylContact C-O 3.57Å; F600-E610 WeakPolarHBondContact CA-O 3.3Å; F600-E610 HydrophobicContact CD1-CB 4.05Å; F600-E610 HydrophobicContact CD1-CG 4.34Å; F600-E610 HydrophobicContact CE1-CB 4.43Å; F600-E610 WeakPolarHBondContact CE1-OE2 3.44Å; F600-I612 HydrophobicContact CB-CD1 3.93Å; F600-I612 HydrophobicContact CB-CG1 3.87Å; F600-I616 HydrophobicContact CB-CD1 3.98Å; F600-I616 HydrophobicContact CD1-CD1 3.82Å; F600-I616 HydrophobicContact CE1-CD1 4.44Å; F600-I616 HydrophobicContact CG-CD1 3.88Å; F600-I624 HydrophobicContact CZ-CG2 4.2Å
601	V	86	Confident	85.3	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.1	-172.6	-167.1	0	0	0	0	110.1	L534 S603 E609 E610 S611 I612	L534-V601 HydrophobicContact CD1-CG2 3.98Å; V601-S603 WeakPolarHBondContact CG1-O 3.48Å; V601-E609 HydrophobicContact CG2-CB 4.24Å; V601-E609 HydrophobicContact CG2-CG 4.41Å; V601-E610 PolarHBondContact N-O 2.73Å; V601-S611 CarbonylContact O-C 3.56Å; V601-S611 VanDerWaalsContact O-CA 3.3Å; V601-S611 WeakPolarHBondContact O-CA 3.48Å; V601-I612 PolarHBondContact O-N 3.01Å
602	E	79	Confident	84.9	Confident	107 Å²	107	40.7 Å²	40.7	50%	0.5	22%	0.219	S	C	.	.	S	Bend	trans	-70.9	-33.1	179.3	-68.5	-178.3	173.7	0	0	113.2	N539 I612	N539-E602 HydrophobicContact CB-CB 4.27Å; N539-E602 HydrophobicContact CB-CG 3.95Å; N539-E602 WeakPolarHBondContact CB-OE2 3.24Å; N539-E602 PolarHBondContact ND2-OE2 2.77Å; N539-E602 PolarHBondContact O-N 3.4Å; N539-E602 VanDerWaalsContact O-N 3.08Å; E602-I612 HydrophobicContact CG-CD1 4.18Å
603	S	72.4	Confident	84	Confident	78 Å²	78	46.1 Å²	46.1	55%	0.545	25%	0.252	S	S	.	.	S	Bend	trans	-147.3	150.5	-177.4	59.1	0	0	0	0	112	V601	V601-S603 WeakPolarHBondContact CG1-O 3.48Å
604	D	72.5	Confident	82.9	Confident	137 Å²	137	52.3 Å²	52.3	73%	0.733	28%	0.28	S	S	*	.	S	Bend	trans	58	48.7	177.5	-57.2	-31.6	0	0	0	114.9	N606	D604-N606 PolarHBondContact O-N 2.89Å
605	A	73.2	Confident	82	Confident	34 Å²	34	58.4 Å²	58.4	28%	0.281	32%	0.319	S	S	.	.			trans	-65	126.9	176.2	0	0	0	0	0	111.4	E609 S611	A605-E609 HydrophobicContact CB-CB 3.98Å; A605-S611 VanDerWaalsContact CB-OG 3.22Å; A605-S611 WeakPolarHBondContact CB-OG 3.43Å
606	N	77	Confident	81.3	Confident	78 Å²	78	60.1 Å²	60.1	42%	0.417	33%	0.328	S	S	.	.			trans	-66.4	167	167	-66.4	-46.4	0	0	0	110.9	D604 N608 E609	D604-N606 PolarHBondContact O-N 2.89Å; N606-N608 WeakPolarHBondContact CB-OD1 3.46Å; N606-N608 PolarHBondContact O-N 3.13Å; N606-E609 HydrophobicContact CB-CB 4.43Å; N606-E609 HydrophobicContact CB-CG 3.9Å; N606-E609 PolarHBondContact N-OE2 2.9Å; N606-E609 PolarHBondContact ND2-OE1 2.75Å; N606-E609 PolarHBondContact ND2-OE2 3.17Å; N606-E609 PolarHBondContact O-N 2.89Å
607	F	82	Confident	80.7	Confident	125 Å²	125	64.9 Å²	64.9	55%	0.548	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.4	-177	71.5	-89.3	0	0	0	115	F558 P566	F558-F607 HydrophobicContact CD1-CD2 4.07Å; F558-F607 AromaticContact CD1-CE2 3.78Å; F558-F607 HydrophobicContact CD1-CE2 3.78Å; F558-F607 AromaticContact CE1-CD2 3.63Å; F558-F607 HydrophobicContact CE1-CD2 3.63Å; F558-F607 AromaticContact CE1-CE2 3.85Å; F558-F607 HydrophobicContact CE1-CE2 3.85Å; F558-F607 HydrophobicContact CZ-CD2 4.39Å; F558-F607 VanDerWaalsContact CZ-O 3.24Å; F558-F607 WeakPolarHBondContact CZ-O 3.4Å; P566-F607 HydrophobicContact CB-CE2 4.1Å; P566-F607 HydrophobicContact CB-CZ 3.75Å; P566-F607 HydrophobicContact CG-CZ 4.43Å; P566-F607 VanDerWaalsContact O-CZ 3.28Å; P566-F607 WeakPolarHBondContact O-CZ 3.47Å
608	N	81.6	Confident	80.1	Confident	12 Å²	12	66.6 Å²	66.6	6%	0.064	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	1.5	175.8	70.1	-65.6	0	0	0	113.1	F558 P566 N606	F558-N608 HydrophobicContact CD1-CB 4.24Å; F558-N608 HydrophobicContact CD2-CB 3.91Å; F558-N608 HydrophobicContact CE1-CB 4.43Å; F558-N608 HydrophobicContact CE2-CB 4.12Å; F558-N608 HydrophobicContact CG-CB 3.97Å; F558-N608 HydrophobicContact CZ-CB 4.37Å; P566-N608 HydrophobicContact CB-CB 3.99Å; P566-N608 HydrophobicContact CG-CB 4.21Å; N606-N608 WeakPolarHBondContact CB-OD1 3.46Å; N606-N608 PolarHBondContact O-N 3.13Å
609	E	82.9	Confident	79.4	Confident	26 Å²	26	71.9 Å²	71.9	12%	0.121	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	151.5	-178.8	-60.2	173.4	-179.9	0	0	109.3	R538 D599 V601 A605 N606	R538-E609 IonicContact NH1-OE1 3.45Å; R538-E609 PolarHBondContact NH1-OE1 3.4Å; R538-E609 IonicContact NH1-OE2 3.14Å; R538-E609 PolarHBondContact NH1-OE2 3.27Å; D599-E609 HydrophobicContact CB-CG 4.03Å; D599-E609 WeakPolarHBondContact O-CA 3.41Å; V601-E609 HydrophobicContact CG2-CB 4.24Å; V601-E609 HydrophobicContact CG2-CG 4.41Å; A605-E609 HydrophobicContact CB-CB 3.98Å; N606-E609 HydrophobicContact CB-CB 4.43Å; N606-E609 HydrophobicContact CB-CG 3.9Å; N606-E609 PolarHBondContact N-OE2 2.9Å; N606-E609 PolarHBondContact ND2-OE1 2.75Å; N606-E609 PolarHBondContact ND2-OE2 3.17Å; N606-E609 PolarHBondContact O-N 2.89Å
610	E	82	Confident	79	Confident	80 Å²	80	75.4 Å²	75.4	37%	0.374	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.6	177.4	-175.5	167.8	-161.7	0	0	111.1	R598 D599 F600 V601	R598-E610 IonicContact CZ-OE2 3.21Å; R598-E610 IonicContact NE-OE2 3.85Å; R598-E610 PolarHBondContact NE-OE2 2.93Å; R598-E610 IonicContact NH2-OE1 3.29Å; R598-E610 IonicContact NH2-OE2 3.21Å; R598-E610 PolarHBondContact NH2-OE2 2.93Å; D599-E610 PolarHBondContact O-N 2.85Å; F600-E610 CarbonylContact C-O 3.57Å; F600-E610 WeakPolarHBondContact CA-O 3.3Å; F600-E610 HydrophobicContact CD1-CB 4.05Å; F600-E610 HydrophobicContact CD1-CG 4.34Å; F600-E610 HydrophobicContact CE1-CB 4.43Å; F600-E610 WeakPolarHBondContact CE1-OE2 3.44Å; V601-E610 PolarHBondContact N-O 2.73Å
611	S	78.8	Confident	78.5	Confident	61 Å²	61	76.9 Å²	76.9	43%	0.427	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	127.6	174.7	-58.5	0	0	0	0	111.1	V601 A605 V613	V601-S611 CarbonylContact O-C 3.56Å; V601-S611 VanDerWaalsContact O-CA 3.3Å; V601-S611 WeakPolarHBondContact O-CA 3.48Å; A605-S611 VanDerWaalsContact CB-OG 3.22Å; A605-S611 WeakPolarHBondContact CB-OG 3.43Å; S611-V613 PolarHBondContact O-N 3.43Å
612	I	78.9	Confident	78.3	Confident	41 Å²	41	82.3 Å²	82.3	21%	0.21	44%	0.444	C	S	.	.			trans	-76	92.6	177	-55.3	173.3	0	0	0	108.8	Y541 F600 V601 E602 Q614 I616	Y541-I612 HydrophobicContact CD2-CD1 3.92Å; Y541-I612 HydrophobicContact CE2-CD1 4.24Å; F600-I612 HydrophobicContact CB-CD1 3.93Å; F600-I612 HydrophobicContact CB-CG1 3.87Å; V601-I612 PolarHBondContact O-N 3.01Å; E602-I612 HydrophobicContact CG-CD1 4.18Å; I612-Q614 WeakPolarHBondContact CG2-O 3.41Å; I612-I616 HydrophobicContact CD1-CD1 4.27Å; I612-I616 HydrophobicContact CG1-CD1 4.18Å; I612-I616 HydrophobicContact CG2-CG1 4.46Å
613	V	72.1	Confident	78.3	Confident	131 Å²	131	79.7 Å²	79.7	79%	0.794	44%	0.441	S	S	*	.			trans	-90.5	-26.8	177.1	-169.2	0	0	0	0	111.9	S611	S611-V613 PolarHBondContact O-N 3.43Å
614	Q	71.6	Confident	78.9	Confident	152 Å²	152	76.3 Å²	76.3	71%	0.71	42%	0.416	S	S	*	.	S	Bend	trans	-134.6	155.4	-177.9	-69.8	-177.2	1.5	0	0	109.8	I612 I616	I612-Q614 WeakPolarHBondContact CG2-O 3.41Å; Q614-I616 PolarHBondContact O-N 3.01Å
615	P	76.2	Confident	79.5	Confident	127 Å²	127	69.8 Å²	69.8	83%	0.825	38%	0.381	S	S	*	.			trans	-56.5	124.8	172.4	22.9	-31.8	0	0	0	109.5	D617	P615-D617 PolarHBondContact O-N 3Å
616	I	79.3	Confident	80.1	Confident	37 Å²	37	70.9 Å²	70.9	19%	0.19	39%	0.385	C	S	.	.			trans	-69.4	123.6	-178.8	-60.5	167.4	0	0	0	108.3	Y541 F600 I612 Q614 W618 I624	Y541-I616 HydrophobicContact CD2-CD1 4.04Å; F600-I616 HydrophobicContact CB-CD1 3.98Å; F600-I616 HydrophobicContact CD1-CD1 3.82Å; F600-I616 HydrophobicContact CE1-CD1 4.44Å; F600-I616 HydrophobicContact CG-CD1 3.88Å; I612-I616 HydrophobicContact CD1-CD1 4.27Å; I612-I616 HydrophobicContact CG1-CD1 4.18Å; I612-I616 HydrophobicContact CG2-CG1 4.46Å; Q614-I616 PolarHBondContact O-N 3.01Å; I616-W618 HydrophobicContact CB-CD2 4.46Å; I616-W618 HydrophobicContact CB-CH2 4.4Å; I616-W618 HydrophobicContact CB-CZ2 4.01Å; I616-W618 HydrophobicContact CD1-CH2 3.82Å; I616-W618 HydrophobicContact CD1-CZ2 3.85Å; I616-W618 HydrophobicContact CG2-CD2 3.91Å; I616-W618 HydrophobicContact CG2-CE3 3.92Å; I616-W618 HydrophobicContact CG2-CH2 4.02Å; I616-W618 HydrophobicContact CG2-CZ2 4.03Å; I616-W618 HydrophobicContact CG2-CZ3 3.96Å; I616-W618 PolarHBondContact O-N 3.01Å; I616-I624 HydrophobicContact CG2-CD1 4Å; I616-I624 HydrophobicContact CG2-CG1 4.23Å
617	D	82.3	Confident	80.7	Confident	100 Å²	100	70.7 Å²	70.7	54%	0.535	38%	0.384	S	S	.	.			trans	-77.9	96.5	169.8	-174.8	-2.8	0	0	0	109.6	P615 D619 D620 I624	P615-D617 PolarHBondContact O-N 3Å; D617-D619 PolarHBondContact O-N 3.32Å; D617-D619 VanDerWaalsContact O-N 3.15Å; D617-D619 WeakPolarHBondContact OD1-CB 3.41Å; D617-D619 PolarHBondContact OD1-N 3.37Å; D617-D620 HydrophobicContact CB-CB 4.43Å; D617-D620 PolarHBondContact O-N 2.94Å; D617-I624 VanDerWaalsContact O-CD1 3.24Å; D617-I624 WeakPolarHBondContact O-CD1 3.42Å
618	W	82.2	Confident	81.2	Confident	47 Å²	47	64.8 Å²	64.8	18%	0.178	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-4.6	177.8	-57.8	107.3	0	0	0	114	Y519 V531 Y541 I616 I624	Y519-W618 WeakPolarHBondContact CE1-O 3.35Å; Y519-W618 PolarHBondContact OH-O 3.23Å; V531-W618 HydrophobicContact CB-CZ3 4.28Å; V531-W618 HydrophobicContact CG1-CE3 4.3Å; V531-W618 HydrophobicContact CG1-CH2 3.59Å; V531-W618 HydrophobicContact CG1-CZ2 4.28Å; V531-W618 HydrophobicContact CG1-CZ3 3.6Å; V531-W618 HydrophobicContact CG2-CE3 4.01Å; V531-W618 HydrophobicContact CG2-CZ3 3.71Å; Y541-W618 HydrophobicContact CD1-CZ2 4.33Å; Y541-W618 AromaticContact CD2-CH2 3.96Å; Y541-W618 HydrophobicContact CD2-CH2 3.96Å; Y541-W618 AromaticContact CD2-CZ2 3.63Å; Y541-W618 HydrophobicContact CD2-CZ2 3.63Å; Y541-W618 AromaticContact CE2-CZ2 3.96Å; Y541-W618 HydrophobicContact CE2-CZ2 3.96Å; Y541-W618 AromaticContact CG-CH2 3.87Å; Y541-W618 HydrophobicContact CG-CH2 3.87Å; Y541-W618 AromaticContact CG-CZ2 3.81Å; Y541-W618 HydrophobicContact CG-CZ2 3.81Å; I616-W618 HydrophobicContact CB-CD2 4.46Å; I616-W618 HydrophobicContact CB-CH2 4.4Å; I616-W618 HydrophobicContact CB-CZ2 4.01Å; I616-W618 HydrophobicContact CD1-CH2 3.82Å; I616-W618 HydrophobicContact CD1-CZ2 3.85Å; I616-W618 HydrophobicContact CG2-CD2 3.91Å; I616-W618 HydrophobicContact CG2-CE3 3.92Å; I616-W618 HydrophobicContact CG2-CH2 4.02Å; I616-W618 HydrophobicContact CG2-CZ2 4.03Å; I616-W618 HydrophobicContact CG2-CZ3 3.96Å; I616-W618 PolarHBondContact O-N 3.01Å; W618-I624 HydrophobicContact CE3-CD1 3.82Å; W618-I624 HydrophobicContact CZ3-CD1 4.38Å
619	D	78.9	Confident	81.8	Confident	122 Å²	122	64.2 Å²	64.2	65%	0.652	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-20.4	174	-64.6	-35.7	0	0	0	112.1	K517 D617 E621	K517-D619 IonicContact NZ-OD1 2.83Å; K517-D619 PolarHBondContact NZ-OD1 3.39Å; D617-D619 PolarHBondContact O-N 3.32Å; D617-D619 VanDerWaalsContact O-N 3.15Å; D617-D619 WeakPolarHBondContact OD1-CB 3.41Å; D617-D619 PolarHBondContact OD1-N 3.37Å; D619-E621 VanDerWaalsContact C-N 3.34Å; D619-E621 PolarHBondContact O-N 3.32Å; D619-E621 VanDerWaalsContact O-N 3.07Å
620	D	81.5	Confident	82.3	Confident	79 Å²	79	63 Å²	63	42%	0.422	35%	0.349	S	S	.	.			trans	-82.6	76.5	168.6	-170.8	0.7	0	0	0	111.9	D617 D622 A623 I624	D617-D620 HydrophobicContact CB-CB 4.43Å; D617-D620 PolarHBondContact O-N 2.94Å; D620-D622 VanDerWaalsContact C-N 3.32Å; D620-D622 PolarHBondContact O-N 3.25Å; D620-D622 PolarHBondContact OD1-N 3.29Å; D620-A623 HydrophobicContact CB-CB 4.43Å; D620-A623 PolarHBondContact O-N 3.14Å; D620-A623 PolarHBondContact OD1-N 2.83Å; D620-A623 WeakPolarHBondContact OD2-CB 3.47Å; D620-I624 WeakPolarHBondContact O-CG1 3.49Å; D620-I624 PolarHBondContact O-N 3.29Å
621	E	79	Confident	82.8	Confident	39 Å²	39	59.4 Å²	59.4	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-62.5	-35.1	-177.9	-169.7	-166.9	154.9	0	0	113.9	Y519 R525 D619 I624 L625	Y519-E621 HydrophobicContact CD1-CB 4.25Å; Y519-E621 HydrophobicContact CD1-CG 3.68Å; Y519-E621 HydrophobicContact CE1-CB 3.88Å; Y519-E621 HydrophobicContact CE1-CG 3.71Å; Y519-E621 HydrophobicContact CG-CG 4.13Å; R525-E621 WeakPolarHBondContact CD-OE1 3.11Å; R525-E621 IonicContact CZ-OE1 3.44Å; R525-E621 IonicContact CZ-OE2 3.97Å; R525-E621 IonicContact NE-OE1 3.21Å; R525-E621 IonicContact NH1-OE1 2.81Å; R525-E621 PolarHBondContact NH1-OE1 3.05Å; R525-E621 IonicContact NH1-OE2 3.6Å; R525-E621 PolarHBondContact NH1-OE2 3.18Å; D619-E621 VanDerWaalsContact C-N 3.34Å; D619-E621 PolarHBondContact O-N 3.32Å; D619-E621 VanDerWaalsContact O-N 3.07Å; E621-I624 PolarHBondContact O-N 2.95Å; E621-L625 HydrophobicContact CG-CD1 3.62Å; E621-L625 HydrophobicContact CG-CG 4.13Å; E621-L625 WeakPolarHBondContact O-CB 3.49Å; E621-L625 WeakPolarHBondContact O-CG 3.44Å; E621-L625 PolarHBondContact O-N 3.31Å; E621-L625 WeakPolarHBondContact OE1-CD1 3.47Å
622	D	80.4	Confident	83.5	Confident	116 Å²	116	56.6 Å²	56.6	62%	0.62	31%	0.313	S	S	*	.	H	α-helix	trans	-69.6	-36.3	-175.6	-88	-31.7	0	0	0	111.5	K555 D620 T626	K555-D622 IonicContact NZ-OD1 2.67Å; D620-D622 VanDerWaalsContact C-N 3.32Å; D620-D622 PolarHBondContact O-N 3.25Å; D620-D622 PolarHBondContact OD1-N 3.29Å; D622-T626 WeakPolarHBondContact O-CG2 3.45Å
623	A	80.6	Confident	84.3	Confident	51 Å²	51	54.6 Å²	54.6	42%	0.421	30%	0.303	S	S	.	.	H	α-helix	trans	-64.6	-42.5	171.7	0	0	0	0	0	111.8	R598 D620 T626	R598-A623 PolarHBondContact NH1-O 3.43Å; D620-A623 HydrophobicContact CB-CB 4.43Å; D620-A623 PolarHBondContact O-N 3.14Å; D620-A623 PolarHBondContact OD1-N 2.83Å; D620-A623 WeakPolarHBondContact OD2-CB 3.47Å; A623-T626 PolarHBondContact O-OG1 2.82Å
624	I	85.1	Confident	85.3	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.036	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-39.7	-178.3	-68.8	168.7	0	0	0	111.7	Y519 L543 R598 F600 I616 D617 W618 D620 E621 T626	Y519-I624 VanDerWaalsContact OH-CD1 3.29Å; Y519-I624 WeakPolarHBondContact OH-CD1 3.44Å; L543-I624 HydrophobicContact CD1-CG2 4.15Å; L543-I624 HydrophobicContact CD2-CG2 3.58Å; L543-I624 HydrophobicContact CG-CG2 4.44Å; R598-I624 PolarHBondContact NH1-O 3.4Å; F600-I624 HydrophobicContact CZ-CG2 4.2Å; I616-I624 HydrophobicContact CG2-CD1 4Å; I616-I624 HydrophobicContact CG2-CG1 4.23Å; D617-I624 VanDerWaalsContact O-CD1 3.24Å; D617-I624 WeakPolarHBondContact O-CD1 3.42Å; W618-I624 HydrophobicContact CE3-CD1 3.82Å; W618-I624 HydrophobicContact CZ3-CD1 4.38Å; D620-I624 WeakPolarHBondContact O-CG1 3.49Å; D620-I624 PolarHBondContact O-N 3.29Å; E621-I624 PolarHBondContact O-N 2.95Å; I624-T626 PolarHBondContact O-N 3.28Å; I624-T626 VanDerWaalsContact O-N 3.07Å
625	L	83.3	Confident	86.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	39.8	-178.3	-69.5	176.5	0	0	0	114	S529 L543 K555 E621	S529-L625 WeakPolarHBondContact OG-CD2 3.41Å; L543-L625 HydrophobicContact CD2-CD2 3.97Å; K555-L625 HydrophobicContact CD-CB 4.41Å; K555-L625 VanDerWaalsContact CD-O 3.25Å; K555-L625 WeakPolarHBondContact CD-O 3.48Å; E621-L625 HydrophobicContact CG-CD1 3.62Å; E621-L625 HydrophobicContact CG-CG 4.13Å; E621-L625 WeakPolarHBondContact O-CB 3.49Å; E621-L625 WeakPolarHBondContact O-CG 3.44Å; E621-L625 PolarHBondContact O-N 3.31Å; E621-L625 WeakPolarHBondContact OE1-CD1 3.47Å
626	T	86.5	Confident	87	Confident	57 Å²	57	35.1 Å²	35.1	35%	0.35	19%	0.192	S	C	.	.	S	Bend	trans	-114.8	171.9	170.7	54.8	0	0	0	0	111.1	R598 D622 A623 I624 L628	R598-T626 WeakPolarHBondContact CD-O 3.5Å; R598-T626 VanDerWaalsContact CZ-O 3.26Å; R598-T626 VanDerWaalsContact NH1-C 3.33Å; R598-T626 PolarHBondContact NH1-O 3.4Å; R598-T626 PolarHBondContact NH1-OG1 3.2Å; D622-T626 WeakPolarHBondContact O-CG2 3.45Å; A623-T626 PolarHBondContact O-OG1 2.82Å; I624-T626 PolarHBondContact O-N 3.28Å; I624-T626 VanDerWaalsContact O-N 3.07Å; T626-L628 PolarHBondContact O-N 3.02Å
627	N	88.8	Confident	87.4	Confident	75 Å²	75	34.6 Å²	34.6	40%	0.401	19%	0.189	S	C	.	.	S	Bend	trans	48.6	37.2	172.9	-55.5	-21.8	0	0	0	115.7	K555 Q557	K555-N627 PolarHBondContact O-N 2.89Å; Q557-N627 PolarHBondContact OE1-OD1 3.45Å
628	L	92.8	Very high	87.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	157.3	-177.6	-56.5	176.6	0	0	0	111.5	L543 L552 K555 C556 Q557 F558 A596 R598 T626	L543-L628 HydrophobicContact CD2-CD2 4.09Å; L552-L628 HydrophobicContact CD2-CD1 3.87Å; K555-L628 HydrophobicContact CB-CD1 4.02Å; K555-L628 HydrophobicContact CB-CG 4.48Å; K555-L628 PolarHBondContact O-N 2.93Å; C556-L628 CarbonylContact C-O 3.36Å; C556-L628 WeakPolarHBondContact CA-O 3.48Å; Q557-L628 PolarHBondContact N-O 2.93Å; F558-L628 PolarHBondContact N-O 3.05Å; A596-L628 HydrophobicContact CB-CB 4.07Å; A596-L628 HydrophobicContact CB-CD1 4.24Å; R598-L628 HydrophobicContact CB-CD2 3.79Å; T626-L628 PolarHBondContact O-N 3.02Å
629	T	93.6	Very high	87.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.8	169.5	-57.3	0	0	0	0	109.7	F558 L560 P566 A596 Y597 V631	F558-T629 HydrophobicContact CB-CG2 3.94Å; F558-T629 CarbonylContact O-C 3.47Å; F558-T629 WeakPolarHBondContact O-CA 3.22Å; L560-T629 HydrophobicContact CD2-CG2 4Å; L560-T629 HydrophobicContact CG-CG2 4.22Å; P566-T629 HydrophobicContact CB-CG2 4.36Å; A596-T629 CarbonylContact C-O 3.55Å; A596-T629 WeakPolarHBondContact CA-O 3.35Å; A596-T629 WeakPolarHBondContact CB-O 3.28Å; Y597-T629 HydrophobicContact CD1-CG2 4.21Å; Y597-T629 VanDerWaalsContact CE1-CB 3.49Å; Y597-T629 HydrophobicContact CE1-CG2 3.45Å; Y597-T629 VanDerWaalsContact CE1-CG2 3.45Å; Y597-T629 PolarHBondContact N-O 3.03Å; Y597-T629 PolarHBondContact O-N 3.12Å; T629-V631 PolarHBondContact O-N 3.2Å
630	C	94.5	Very high	88.3	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	119.7	176.8	179.6	0	0	0	0	110.7	L553 C556 F558 I559 L560 C594	L553-C630 HydrophobicContact CD2-CB 4.4Å; C556-C630 HydrophobicContact CB-CB 4.18Å; F558-C630 PolarHBondContact O-N 2.93Å; I559-C630 WeakPolarHBondContact CA-O 3.24Å; I559-C630 HydrophobicContact CB-CB 4.24Å; I559-C630 HydrophobicContact CD1-CB 4.48Å; I559-C630 HydrophobicContact CG1-CB 4.03Å; L560-C630 PolarHBondContact N-O 3.44Å; C594-C630 VanDerWaalsContact SG-SG 3.62Å
631	V	93.2	Very high	88.6	Confident	6 Å²	6	22.9 Å²	22.9	4%	0.036	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-52.3	177.7	-178.7	0	0	0	0	110.5	L453 M456 L457 L560 L595 Y597 T629	L453-V631 HydrophobicContact CD1-CG1 3.73Å; M456-V631 HydrophobicContact CB-CG1 4.2Å; L457-V631 HydrophobicContact CD2-CG1 3.9Å; L457-V631 HydrophobicContact CG-CG1 4.18Å; L560-V631 HydrophobicContact CD1-CB 4.28Å; L560-V631 HydrophobicContact CD1-CG1 4.02Å; L560-V631 HydrophobicContact CD1-CG2 4.17Å; L595-V631 HydrophobicContact CB-CB 4.39Å; L595-V631 PolarHBondContact O-N 3.44Å; Y597-V631 HydrophobicContact CD1-CG2 3.45Å; Y597-V631 VanDerWaalsContact CD1-CG2 3.45Å; Y597-V631 HydrophobicContact CE1-CG2 3.97Å; T629-V631 PolarHBondContact O-N 3.2Å
632	S	93	Very high	89	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	158.1	-176	69.7	0	0	0	0	112.5	Y434 L457 C594 L595	Y434-S632 WeakPolarHBondContact O-CA 3.44Å; L457-S632 WeakPolarHBondContact CD2-OG 3.44Å; C594-S632 WeakPolarHBondContact CA-O 3.18Å; L595-S632 WeakPolarHBondContact CD1-OG 3.2Å; L595-S632 PolarHBondContact N-O 3.19Å; L595-S632 PolarHBondContact O-N 2.85Å
633	I	94.3	Very high	89.5	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126	167.3	-54.3	164.4	0	0	0	107.1	S433 Y434 L553 V582 M585 I593	S433-I633 CarbonylContact C-O 3.52Å; S433-I633 WeakPolarHBondContact CA-O 3.14Å; Y434-I633 HydrophobicContact CD1-CD1 4.34Å; Y434-I633 PolarHBondContact N-O 3.38Å; Y434-I633 PolarHBondContact O-N 3.4Å; L553-I633 HydrophobicContact CD1-CD1 3.82Å; L553-I633 HydrophobicContact CD2-CD1 4.14Å; L553-I633 HydrophobicContact CG-CD1 4.47Å; V582-I633 HydrophobicContact CG2-CD1 4.29Å; V582-I633 HydrophobicContact CG2-CG2 4.41Å; M585-I633 HydrophobicContact SD-CG2 4.39Å; I593-I633 CarbonylContact O-C 3.5Å; I593-I633 WeakPolarHBondContact O-CA 3.19Å
634	V	94	Very high	90	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.8	179.4	-63.9	0	0	0	0	110.7	V430 L492 F495 T592 I593 I636	V430-V634 HydrophobicContact CG1-CB 3.93Å; V430-V634 HydrophobicContact CG1-CG1 4.15Å; V430-V634 HydrophobicContact CG2-CB 4.38Å; L492-V634 HydrophobicContact CD2-CG2 3.61Å; F495-V634 HydrophobicContact CE1-CG1 4.47Å; T592-V634 WeakPolarHBondContact CA-O 3.41Å; I593-V634 HydrophobicContact CB-CG2 3.95Å; I593-V634 PolarHBondContact N-O 3.18Å; I593-V634 PolarHBondContact O-N 3.18Å; V634-I636 HydrophobicContact CG2-CD1 4.4Å; V634-I636 HydrophobicContact CG2-CG1 4.29Å
635	G	92.8	Very high	90.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	109.2	173.9	0	0	0	0	0	109.9	V431 Q432	V431-G635 PolarHBondContact N-O 3.11Å; Q432-G635 PolarHBondContact N-O 2.74Å; Q432-G635 PolarHBondContact O-N 2.72Å
636	I	90.7	Very high	90.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.9	-177.5	-55.5	173.2	0	0	0	109.3	M428 T429 V430 T488 A491 L492 L590 R591 I593 V634	M428-I636 HydrophobicContact CB-CG2 3.77Å; M428-I636 HydrophobicContact CE-CB 4.48Å; M428-I636 HydrophobicContact CE-CG2 3.66Å; M428-I636 HydrophobicContact CG-CG2 4.44Å; M428-I636 HydrophobicContact SD-CG2 4.24Å; T429-I636 CarbonylContact O-C 3.59Å; T429-I636 WeakPolarHBondContact O-CA 3.49Å; V430-I636 HydrophobicContact CG2-CG1 4.08Å; T488-I636 HydrophobicContact CG2-CD1 3.54Å; A491-I636 HydrophobicContact CB-CD1 4.36Å; A491-I636 HydrophobicContact CB-CG2 3.76Å; L492-I636 HydrophobicContact CD2-CD1 4.3Å; L590-I636 CarbonylContact C-O 3.47Å; L590-I636 WeakPolarHBondContact CA-O 3.44Å; R591-I636 HydrophobicContact CB-CB 4.37Å; R591-I636 PolarHBondContact N-O 2.92Å; R591-I636 PolarHBondContact O-N 2.89Å; I593-I636 HydrophobicContact CB-CD1 4.45Å; I593-I636 HydrophobicContact CG1-CD1 3.8Å; V634-I636 HydrophobicContact CG2-CD1 4.4Å; V634-I636 HydrophobicContact CG2-CG1 4.29Å
637	Q	88.4	Confident	91.2	Very high	26 Å²	26	21.6 Å²	21.6	12%	0.121	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150.5	177	-158.5	179.1	-13.1	0	0	110.7	M428 T429 V431 L590 P639	M428-Q637 WeakPolarHBondContact CA-O 3.34Å; T429-Q637 PolarHBondContact N-O 3.38Å; T429-Q637 PolarHBondContact O-N 3.19Å; V431-Q637 HydrophobicContact CB-CB 4.46Å; V431-Q637 HydrophobicContact CG2-CB 3.64Å; L590-Q637 HydrophobicContact CD2-CB 3.56Å; L590-Q637 HydrophobicContact CD2-CG 3.79Å; Q637-P639 WeakPolarHBondContact O-CD 3.41Å
638	D	85.5	Confident	91.4	Very high	12 Å²	12	18 Å²	18	6%	0.064	11%	0.109	C	C	.	.			trans	-93.1	104.1	158.2	-172.1	6.6	0	0	0	108.2	K419 T424 T425 N426 M428	K419-D638 IonicContact NZ-OD2 3.22Å; T424-D638 WeakPolarHBondContact CB-OD1 3.2Å; T424-D638 WeakPolarHBondContact CB-OD2 3.19Å; T424-D638 HydrophobicContact CG2-CB 4.49Å; T424-D638 VanDerWaalsContact OG1-CG 3.22Å; T424-D638 PolarHBondContact OG1-OD1 3.29Å; T424-D638 PolarHBondContact OG1-OD2 3.34Å; T425-D638 PolarHBondContact N-OD1 3Å; N426-D638 WeakPolarHBondContact CA-OD1 3.37Å; N426-D638 PolarHBondContact N-OD1 2.96Å; M428-D638 HydrophobicContact SD-CB 3.71Å
639	P	86.8	Confident	91.4	Very high	27 Å²	27	25.5 Å²	25.5	18%	0.175	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-71.3	143.7	-171.5	27.5	-30.7	0	0	0	111.6	T424 T425 S427 Q637	T424-P639 WeakPolarHBondContact CA-O 3.39Å; T424-P639 WeakPolarHBondContact CB-O 3.3Å; T425-P639 PolarHBondContact N-O 3.21Å; T425-P639 WeakPolarHBondContact OG1-CG 3.42Å; S427-P639 WeakPolarHBondContact O-CD 3.14Å; Q637-P639 WeakPolarHBondContact O-CD 3.41Å
640	V	89.5	Confident	91.3	Very high	24 Å²	24	28.5 Å²	28.5	15%	0.145	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-65.6	140.1	172.4	179.8	0	0	0	0	109.4	V644 P645 I672 Q675 C676	V640-V644 HydrophobicContact CG1-CB 4.1Å; V640-V644 HydrophobicContact CG1-CG1 4.15Å; V640-P645 HydrophobicContact CG1-CG 4.48Å; V640-I672 HydrophobicContact CG2-CG2 3.93Å; V640-Q675 HydrophobicContact CG2-CB 4.1Å; V640-C676 VanDerWaalsContact CG1-SG 3.59Å
641	R	86.9	Confident	91.3	Very high	39 Å²	39	28.6 Å²	28.6	15%	0.147	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-63.7	133.2	173.9	-64.6	176.1	-178.6	-89.7	3.8	109.9	G421 T422 L423 T424 T425 E643 V644 P645 D787	G421-R641 PolarHBondContact O-NH2 3.23Å; T422-R641 WeakPolarHBondContact O-CD 3.32Å; T422-R641 PolarHBondContact O-NE 2.85Å; L423-R641 PolarHBondContact O-N 3.43Å; T424-R641 PolarHBondContact O-NE 3.43Å; T425-R641 HydrophobicContact CG2-CB 4.44Å; T425-R641 HydrophobicContact CG2-CG 3.64Å; R641-E643 HydrophobicContact CB-CG 4.43Å; R641-E643 PolarHBondContact O-N 3.4Å; R641-E643 VanDerWaalsContact O-N 3.07Å; R641-V644 HydrophobicContact CB-CB 4.39Å; R641-V644 HydrophobicContact CB-CG2 3.71Å; R641-V644 HydrophobicContact CG-CG2 4.45Å; R641-V644 WeakPolarHBondContact O-CB 3.31Å; R641-V644 PolarHBondContact O-N 2.9Å; R641-V644 VanDerWaalsContact O-N 3.09Å; R641-P645 WeakPolarHBondContact O-CD 3.48Å; R641-D787 PolarHBondContact NH2-O 3.14Å
642	P	88.4	Confident	91.2	Very high	115 Å²	115	32.1 Å²	32.1	75%	0.747	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-27	-172.7	20.7	-30.8	0	0	0	114
643	E	89.9	Confident	91.1	Very high	44 Å²	44	38.1 Å²	38.1	21%	0.206	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-22.9	180	62.6	-87.1	-158.8	0	0	115.2	R641 A646 A647 N788 I790	R641-E643 HydrophobicContact CB-CG 4.43Å; R641-E643 PolarHBondContact O-N 3.4Å; R641-E643 VanDerWaalsContact O-N 3.07Å; E643-A646 PolarHBondContact O-N 2.82Å; E643-A647 PolarHBondContact O-N 3.27Å; E643-A647 VanDerWaalsContact O-N 3.09Å; E643-N788 WeakPolarHBondContact CG-OD1 3.4Å; E643-N788 PolarHBondContact OE1-ND2 3.29Å; E643-N788 PolarHBondContact OE1-OD1 3.15Å; E643-I790 HydrophobicContact CB-CD1 3.5Å; E643-I790 VanDerWaalsContact CB-CD1 3.5Å; E643-I790 HydrophobicContact CB-CG1 4.06Å; E643-I790 HydrophobicContact CG-CD1 3.84Å; E643-I790 HydrophobicContact CG-CG1 4.1Å
644	V	92.2	Very high	91	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-43.9	-173.6	162	0	0	0	0	112.9	L423 V640 R641 A646 A647 I648 C676 F789	L423-V644 HydrophobicContact CB-CG1 4.48Å; L423-V644 HydrophobicContact CD2-CG1 3.78Å; V640-V644 HydrophobicContact CG1-CB 4.1Å; V640-V644 HydrophobicContact CG1-CG1 4.15Å; R641-V644 HydrophobicContact CB-CB 4.39Å; R641-V644 HydrophobicContact CB-CG2 3.71Å; R641-V644 HydrophobicContact CG-CG2 4.45Å; R641-V644 WeakPolarHBondContact O-CB 3.31Å; R641-V644 PolarHBondContact O-N 2.9Å; R641-V644 VanDerWaalsContact O-N 3.09Å; V644-A646 VanDerWaalsContact C-N 3.31Å; V644-A646 PolarHBondContact O-N 3.12Å; V644-A647 PolarHBondContact O-N 2.85Å; V644-I648 HydrophobicContact CG1-CD1 3.5Å; V644-I648 HydrophobicContact CG1-CG1 4.21Å; V644-I648 WeakPolarHBondContact O-CG1 3.42Å; V644-I648 PolarHBondContact O-N 2.92Å; V644-C676 HydrophobicContact CG1-CB 4.31Å; V644-F789 HydrophobicContact CG2-CB 3.79Å; V644-F789 HydrophobicContact CG2-CG 4.45Å
645	P	93.3	Very high	90.9	Very high	28 Å²	28	39.6 Å²	39.6	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-38.5	178.5	-25.6	34.8	0	0	0	113.7	V640 R641 R649	V640-P645 HydrophobicContact CG1-CG 4.48Å; R641-P645 WeakPolarHBondContact O-CD 3.48Å; P645-R649 VanDerWaalsContact O-CG 3.32Å; P645-R649 WeakPolarHBondContact O-CG 3.21Å; P645-R649 PolarHBondContact O-N 3.05Å
646	A	93.4	Very high	90.9	Very high	53 Å²	53	39.7 Å²	39.7	44%	0.438	22%	0.216	S	C	.	.	H	α-helix	trans	-70.6	-41.6	176.9	0	0	0	0	0	111.4	E643 V644 R649 N650	E643-A646 PolarHBondContact O-N 2.82Å; V644-A646 VanDerWaalsContact C-N 3.31Å; V644-A646 PolarHBondContact O-N 3.12Å; A646-R649 PolarHBondContact O-N 2.73Å; A646-N650 PolarHBondContact O-N 3.17Å
647	A	92.9	Very high	91	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.025	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-41.5	178.3	0	0	0	0	0	112.5	E643 V644 N650 C651 F789 I790 V793	E643-A647 PolarHBondContact O-N 3.27Å; E643-A647 VanDerWaalsContact O-N 3.09Å; V644-A647 PolarHBondContact O-N 2.85Å; A647-N650 WeakPolarHBondContact O-CB 3.27Å; A647-N650 PolarHBondContact O-N 2.8Å; A647-C651 PolarHBondContact O-N 2.64Å; A647-F789 HydrophobicContact CB-CD1 3.71Å; A647-F789 HydrophobicContact CB-CE1 4.35Å; A647-I790 HydrophobicContact CB-CG1 4.15Å; A647-V793 HydrophobicContact CB-CG2 3.9Å
648	I	93.7	Very high	91.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-41	176.5	-70.5	170.8	0	0	0	111.2	L423 V644 N650 C651 Q652 V658 C676 I678 F789	L423-I648 HydrophobicContact CD2-CD1 4.28Å; V644-I648 HydrophobicContact CG1-CD1 3.5Å; V644-I648 HydrophobicContact CG1-CG1 4.21Å; V644-I648 WeakPolarHBondContact O-CG1 3.42Å; V644-I648 PolarHBondContact O-N 2.92Å; I648-N650 VanDerWaalsContact C-N 3.32Å; I648-N650 PolarHBondContact O-N 3.1Å; I648-C651 WeakPolarHBondContact O-CB 3.33Å; I648-C651 PolarHBondContact O-N 3.07Å; I648-Q652 HydrophobicContact CG2-CG 4.4Å; I648-Q652 WeakPolarHBondContact O-CG 3.29Å; I648-Q652 PolarHBondContact O-N 3.29Å; I648-V658 HydrophobicContact CG1-CG2 4.47Å; I648-V658 HydrophobicContact CG2-CG2 4.38Å; I648-C676 HydrophobicContact CD1-CB 3.65Å; I648-I678 HydrophobicContact CD1-CD1 4.12Å; I648-I678 HydrophobicContact CD1-CG1 3.83Å; I648-I678 HydrophobicContact CG2-CG1 4.24Å; I648-F789 HydrophobicContact CG1-CE1 3.96Å; I648-F789 HydrophobicContact CG1-CZ 4.35Å
649	R	92.8	Very high	91.7	Very high	156 Å²	156	40.1 Å²	40.1	59%	0.589	22%	0.22	S	C	*	.	H	α-helix	trans	-60	-42.7	173.5	-71.7	174.3	-165.7	163.4	4.8	111.6	P645 A646 Q652 M653	P645-R649 VanDerWaalsContact O-CG 3.32Å; P645-R649 WeakPolarHBondContact O-CG 3.21Å; P645-R649 PolarHBondContact O-N 3.05Å; A646-R649 PolarHBondContact O-N 2.73Å; R649-Q652 PolarHBondContact O-N 3.38Å; R649-M653 WeakPolarHBondContact O-CG 3.35Å; R649-M653 PolarHBondContact O-N 3.39Å
650	N	92	Very high	92.1	Very high	63 Å²	63	38.9 Å²	38.9	34%	0.337	21%	0.212	S	C	.	.	H	α-helix	trans	-62.4	-42.7	176.1	-70.4	-13.1	0	0	0	112.1	A646 A647 I648 M653 A654 V793	A646-N650 PolarHBondContact O-N 3.17Å; A647-N650 WeakPolarHBondContact O-CB 3.27Å; A647-N650 PolarHBondContact O-N 2.8Å; I648-N650 VanDerWaalsContact C-N 3.32Å; I648-N650 PolarHBondContact O-N 3.1Å; N650-M653 HydrophobicContact CB-CE 4.5Å; N650-M653 PolarHBondContact O-N 3.08Å; N650-M653 WeakPolarHBondContact OD1-CE 3.44Å; N650-A654 WeakPolarHBondContact O-CB 3.5Å; N650-A654 PolarHBondContact O-N 3.35Å; N650-V793 HydrophobicContact CB-CG1 4.31Å
651	C	93.1	Very high	92.2	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.014	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-46.4	172.6	-74.2	0	0	0	0	112.1	A647 I648 A654 G655 I656 V658	A647-C651 PolarHBondContact O-N 2.64Å; I648-C651 WeakPolarHBondContact O-CB 3.33Å; I648-C651 PolarHBondContact O-N 3.07Å; C651-A654 CarbonylContact O-C 3.6Å; C651-A654 WeakPolarHBondContact O-CA 3.47Å; C651-A654 WeakPolarHBondContact O-CB 3.31Å; C651-A654 PolarHBondContact O-N 3.46Å; C651-A654 VanDerWaalsContact O-N 3.13Å; C651-G655 PolarHBondContact O-N 2.66Å; C651-I656 CarbonylContact C-O 3.3Å; C651-I656 HydrophobicContact CB-CB 4.17Å; C651-I656 WeakPolarHBondContact O-CA 3.3Å; C651-I656 WeakPolarHBondContact O-CB 3.1Å; C651-I656 PolarHBondContact O-N 3.09Å; C651-V658 HydrophobicContact CB-CG2 3.95Å
652	Q	91.5	Very high	92.3	Very high	81 Å²	81	36.1 Å²	36.1	38%	0.379	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-42.6	179.7	-73.1	174.6	-1.1	0	0	111.8	I648 R649 A654 G655 G677	I648-Q652 HydrophobicContact CG2-CG 4.4Å; I648-Q652 WeakPolarHBondContact O-CG 3.29Å; I648-Q652 PolarHBondContact O-N 3.29Å; R649-Q652 PolarHBondContact O-N 3.38Å; Q652-A654 VanDerWaalsContact C-N 3.26Å; Q652-A654 PolarHBondContact O-N 3.13Å; Q652-G655 PolarHBondContact O-N 3.32Å; Q652-G677 PolarHBondContact NE2-O 3.2Å
653	M	91.6	Very high	92	Very high	126 Å²	126	33.2 Å²	33.2	62%	0.621	19%	0.191	S	C	*	.	H	α-helix	trans	-60.5	-36.4	172.8	-71.5	-170	-62.5	0	0	112.2	R649 N650 G655	R649-M653 WeakPolarHBondContact O-CG 3.35Å; R649-M653 PolarHBondContact O-N 3.39Å; N650-M653 HydrophobicContact CB-CE 4.5Å; N650-M653 PolarHBondContact O-N 3.08Å; N650-M653 WeakPolarHBondContact OD1-CE 3.44Å; M653-G655 PolarHBondContact O-N 3.33Å
654	A	91.5	Very high	91.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	0.7	175.6	0	0	0	0	0	114.4	N650 C651 Q652 I656 R800 L866 R868 P870	N650-A654 WeakPolarHBondContact O-CB 3.5Å; N650-A654 PolarHBondContact O-N 3.35Å; C651-A654 CarbonylContact O-C 3.6Å; C651-A654 WeakPolarHBondContact O-CA 3.47Å; C651-A654 WeakPolarHBondContact O-CB 3.31Å; C651-A654 PolarHBondContact O-N 3.46Å; C651-A654 VanDerWaalsContact O-N 3.13Å; Q652-A654 VanDerWaalsContact C-N 3.26Å; Q652-A654 PolarHBondContact O-N 3.13Å; A654-I656 HydrophobicContact CB-CD1 4.37Å; A654-I656 HydrophobicContact CB-CG1 4.31Å; A654-R800 PolarHBondContact O-NH2 2.83Å; A654-L866 WeakPolarHBondContact CA-O 3.42Å; A654-L866 HydrophobicContact CB-CD2 4.39Å; A654-L866 WeakPolarHBondContact CB-O 3.38Å; A654-L866 PolarHBondContact N-O 3.31Å; A654-R868 CarbonylContact C-O 3.6Å; A654-P870 WeakPolarHBondContact O-CD 3.47Å
655	G	91.1	Very high	91.1	Very high	32 Å²	32	36.2 Å²	36.2	33%	0.33	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	20.1	-177.3	0	0	0	0	0	114	C651 Q652 M653	C651-G655 PolarHBondContact O-N 2.66Å; Q652-G655 PolarHBondContact O-N 3.32Å; M653-G655 PolarHBondContact O-N 3.33Å
656	I	93.6	Very high	90.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	21%	0.207	C	C	.	.			trans	-100.3	127.1	179.4	-54.4	179.3	0	0	0	109.4	A412 T413 I415 C651 A654 V796	A412-I656 WeakPolarHBondContact O-CG1 2.98Å; T413-I656 WeakPolarHBondContact O-CA 3.29Å; I415-I656 HydrophobicContact CD1-CG2 3.67Å; I415-I656 HydrophobicContact CG1-CG2 3.68Å; C651-I656 CarbonylContact C-O 3.3Å; C651-I656 HydrophobicContact CB-CB 4.17Å; C651-I656 WeakPolarHBondContact O-CA 3.3Å; C651-I656 WeakPolarHBondContact O-CB 3.1Å; C651-I656 PolarHBondContact O-N 3.09Å; A654-I656 HydrophobicContact CB-CD1 4.37Å; A654-I656 HydrophobicContact CB-CG1 4.31Å; I656-V796 HydrophobicContact CD1-CB 4.41Å; I656-V796 HydrophobicContact CD1-CG1 3.73Å; I656-V796 HydrophobicContact CD1-CG2 3.8Å
657	T	93	Very high	90.4	Very high	41 Å²	41	37.3 Å²	37.3	25%	0.252	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	109.5	179.7	51.3	0	0	0	0	110.9	T413 A414 I415 R659	T413-T657 PolarHBondContact O-N 2.92Å; T413-T657 PolarHBondContact O-OG1 2.77Å; A414-T657 WeakPolarHBondContact CA-O 3.27Å; I415-T657 PolarHBondContact N-O 3.14Å; T657-R659 PolarHBondContact OG1-NH1 3.16Å
658	V	94.7	Very high	90	Very high	2 Å²	2	38 Å²	38	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	129.7	175.7	-174.5	0	0	0	0	109.5	I415 I648 C651 I678 F789	I415-V658 CarbonylContact O-C 3.44Å; I415-V658 WeakPolarHBondContact O-CA 3.23Å; I648-V658 HydrophobicContact CG1-CG2 4.47Å; I648-V658 HydrophobicContact CG2-CG2 4.38Å; C651-V658 HydrophobicContact CB-CG2 3.95Å; V658-I678 HydrophobicContact CG1-CD1 4.16Å; V658-I678 HydrophobicContact CG1-CG1 4.38Å; V658-F789 HydrophobicContact CG1-CZ 4.23Å; V658-F789 HydrophobicContact CG2-CZ 4.33Å
659	R	94.7	Very high	89.7	Confident	5 Å²	5	38 Å²	38	2%	0.019	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131	176.5	-66.8	178.3	176.8	70.8	0.8	109	I415 C416 S417 T657 W713 L716 R717	I415-R659 PolarHBondContact O-N 3.15Å; C416-R659 CarbonylContact C-O 3.43Å; C416-R659 WeakPolarHBondContact CA-O 3.35Å; S417-R659 PolarHBondContact N-O 2.71Å; T657-R659 PolarHBondContact OG1-NH1 3.16Å; R659-W713 PolarHBondContact NE-O 3.49Å; R659-W713 PolarHBondContact NH2-O 2.91Å; R659-L716 PolarHBondContact NE-O 3.48Å; R659-L716 VanDerWaalsContact NE-O 3.14Å; R659-R717 CarbonylContact C-O 3.53Å; R659-R717 VanDerWaalsContact CA-O 3.3Å; R659-R717 WeakPolarHBondContact CA-O 3.36Å
660	M	94.5	Very high	89.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.3	174.3	-176	-170.5	-69.3	0	0	109.2	S417 K419 L423 T662 A669 I672 A673 I678 R717 V718 L719	S417-M660 WeakPolarHBondContact O-CA 3.37Å; K419-M660 HydrophobicContact CB-CG 4.15Å; K419-M660 HydrophobicContact CB-SD 4.19Å; K419-M660 HydrophobicContact CG-CE 4.26Å; K419-M660 HydrophobicContact CG-SD 3.99Å; L423-M660 HydrophobicContact CD1-CE 3.74Å; L423-M660 HydrophobicContact CD1-CG 4.31Å; M660-T662 HydrophobicContact CG-CG2 4.41Å; M660-T662 HydrophobicContact SD-CG2 4.3Å; M660-A669 HydrophobicContact SD-CB 4.23Å; M660-I672 HydrophobicContact CE-CB 4.1Å; M660-I672 HydrophobicContact CE-CG2 3.59Å; M660-A673 HydrophobicContact CE-CB 3.96Å; M660-I678 HydrophobicContact CB-CD1 4.15Å; M660-I678 HydrophobicContact CE-CD1 4.06Å; M660-R717 PolarHBondContact N-O 3Å; M660-V718 HydrophobicContact CB-CG2 4.23Å; M660-V718 CarbonylContact O-C 3.6Å; M660-V718 WeakPolarHBondContact O-CA 3.42Å; M660-L719 PolarHBondContact O-N 3.48Å
661	V	92.2	Very high	89.4	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.6	173.3	-175.7	0	0	0	0	107.4	C416 S417 D418 L719 S722 K727 L730	C416-V661 HydrophobicContact CB-CG2 4.35Å; S417-V661 PolarHBondContact O-N 3.45Å; D418-V661 VanDerWaalsContact OD1-O 3.09Å; V661-L719 WeakPolarHBondContact CA-O 3.48Å; V661-L719 HydrophobicContact CG1-CB 4.34Å; V661-L719 HydrophobicContact CG1-CD2 4.17Å; V661-L719 HydrophobicContact CG2-CB 4.41Å; V661-S722 WeakPolarHBondContact CG1-OG 3.44Å; V661-K727 HydrophobicContact CG1-CB 4.01Å; V661-K727 HydrophobicContact CG1-CD 4.37Å; V661-K727 HydrophobicContact CG1-CG 3.93Å; V661-L730 HydrophobicContact CG2-CD2 3.83Å
662	T	88.3	Confident	89.2	Confident	4 Å²	4	32.9 Å²	32.9	3%	0.025	19%	0.187	C	C	.	.			trans	-147.4	151.2	-172.8	-174.6	0	0	0	0	112.4	K419 M660 D664 A669 L719 A720 R721 S722	K419-T662 HydrophobicContact CB-CG2 4.46Å; M660-T662 HydrophobicContact CG-CG2 4.41Å; M660-T662 HydrophobicContact SD-CG2 4.3Å; T662-D664 HydrophobicContact CG2-CB 4.04Å; T662-D664 PolarHBondContact OG1-N 3.46Å; T662-A669 HydrophobicContact CG2-CB 3.74Å; T662-L719 PolarHBondContact N-O 2.93Å; T662-A720 CarbonylContact O-C 3.59Å; T662-A720 VanDerWaalsContact O-C 3.3Å; T662-A720 WeakPolarHBondContact O-CA 3.09Å; T662-R721 PolarHBondContact O-N 3.11Å; T662-S722 PolarHBondContact O-N 3.46Å
663	G	82.1	Confident	89.2	Confident	55 Å²	55	29 Å²	29	57%	0.567	17%	0.169	S	C	*	.	S	Bend	trans	-75.7	-8.5	170.4	0	0	0	0	0	114.1
664	D	80.2	Confident	89.2	Confident	45 Å²	45	27.3 Å²	27.3	24%	0.241	16%	0.159	C	C	.	.	S	Bend	trans	-68.2	165.7	-178.8	-87.6	-21.9	0	0	0	113.8	K419 T662 R721	K419-D664 WeakPolarHBondContact CD-OD2 3.44Å; K419-D664 WeakPolarHBondContact CE-OD2 3.34Å; K419-D664 IonicContact NZ-OD2 3.05Å; K419-D664 PolarHBondContact NZ-OD2 3.45Å; T662-D664 HydrophobicContact CG2-CB 4.04Å; T662-D664 PolarHBondContact OG1-N 3.46Å; D664-R721 WeakPolarHBondContact O-CG 3.41Å; D664-R721 PolarHBondContact O-N 3.25Å
665	N	82.7	Confident	89.1	Confident	61 Å²	61	31.4 Å²	31.4	33%	0.326	18%	0.179	S	C	.	.			trans	-62.5	157.4	175	86.5	36.9	0	0	0	111.7	N667 T668 A669	N665-N667 VanDerWaalsContact C-N 3.35Å; N665-N667 PolarHBondContact O-N 3.05Å; N665-N667 WeakPolarHBondContact OD1-CA 3.28Å; N665-N667 PolarHBondContact OD1-N 3.47Å; N665-T668 PolarHBondContact ND2-OG1 3.04Å; N665-T668 WeakPolarHBondContact OD1-CB 3.38Å; N665-T668 PolarHBondContact OD1-N 3.45Å; N665-T668 PolarHBondContact OD1-OG1 3.34Å; N665-A669 WeakPolarHBondContact O-CB 3.3Å; N665-A669 PolarHBondContact O-N 3.05Å
666	L	86.8	Confident	89.1	Confident	32 Å²	32	29.9 Å²	29.9	17%	0.168	16%	0.163	C	C	.	.	H	α-helix	trans	-59.1	-40.2	-178.4	-170.9	77.4	0	0	0	113.7	R670 V687 E689 A720	L666-R670 VanDerWaalsContact O-CB 3.22Å; L666-R670 WeakPolarHBondContact O-CB 3.45Å; L666-R670 PolarHBondContact O-N 3.11Å; L666-V687 HydrophobicContact CD1-CB 4.4Å; L666-V687 HydrophobicContact CD1-CG1 3.42Å; L666-V687 VanDerWaalsContact CD1-CG1 3.42Å; L666-V687 HydrophobicContact CG-CG1 4.17Å; L666-E689 HydrophobicContact CB-CG 4.12Å; L666-E689 HydrophobicContact CD1-CG 3.87Å; L666-E689 HydrophobicContact CD2-CG 4.43Å; L666-E689 HydrophobicContact CG-CG 4.37Å; L666-A720 HydrophobicContact CB-CB 4.32Å; L666-A720 HydrophobicContact CD1-CB 3.99Å
667	N	85.7	Confident	89	Confident	72 Å²	72	30.6 Å²	30.6	39%	0.385	17%	0.171	S	C	.	.	H	α-helix	trans	-71.6	-43.5	-174.9	-67.1	-24.1	0	0	0	112	N665 R670 S671	N665-N667 VanDerWaalsContact C-N 3.35Å; N665-N667 PolarHBondContact O-N 3.05Å; N665-N667 WeakPolarHBondContact OD1-CA 3.28Å; N665-N667 PolarHBondContact OD1-N 3.47Å; N667-R670 PolarHBondContact O-N 2.81Å; N667-S671 WeakPolarHBondContact O-CB 3.44Å; N667-S671 PolarHBondContact O-N 2.63Å
668	T	83.6	Confident	89	Confident	19 Å²	19	28.8 Å²	28.8	12%	0.117	16%	0.16	C	C	.	.	H	α-helix	trans	-61.7	-48.3	172.9	-60.9	0	0	0	0	110.4	G589 N665 R670 S671 I672	G589-T668 WeakPolarHBondContact CA-OG1 2.85Å; G589-T668 PolarHBondContact O-OG1 2.9Å; N665-T668 PolarHBondContact ND2-OG1 3.04Å; N665-T668 WeakPolarHBondContact OD1-CB 3.38Å; N665-T668 PolarHBondContact OD1-N 3.45Å; N665-T668 PolarHBondContact OD1-OG1 3.34Å; T668-R670 VanDerWaalsContact C-N 3.33Å; T668-R670 PolarHBondContact O-N 3.48Å; T668-S671 PolarHBondContact O-N 3.39Å; T668-I672 HydrophobicContact CG2-CD1 3.77Å; T668-I672 WeakPolarHBondContact O-CB 3.37Å; T668-I672 WeakPolarHBondContact O-CG1 3.02Å; T668-I672 PolarHBondContact O-N 2.63Å
669	A	87.8	Confident	88.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-41.8	177	0	0	0	0	0	111.9	M660 T662 N665 A673 V718 A720	M660-A669 HydrophobicContact SD-CB 4.23Å; T662-A669 HydrophobicContact CG2-CB 3.74Å; N665-A669 WeakPolarHBondContact O-CB 3.3Å; N665-A669 PolarHBondContact O-N 3.05Å; A669-A673 WeakPolarHBondContact O-CB 3.07Å; A669-A673 PolarHBondContact O-N 2.89Å; A669-V718 HydrophobicContact CB-CG1 3.7Å; A669-A720 HydrophobicContact CB-CB 3.89Å
670	R	89.9	Confident	88.4	Confident	95 Å²	95	33.6 Å²	33.6	36%	0.358	19%	0.186	S	C	.	.	H	α-helix	trans	-63.1	-47.6	176	-177.2	-175.9	-65.8	144.8	-0.5	112.1	L666 N667 T668 A673 Q674	L666-R670 VanDerWaalsContact O-CB 3.22Å; L666-R670 WeakPolarHBondContact O-CB 3.45Å; L666-R670 PolarHBondContact O-N 3.11Å; N667-R670 PolarHBondContact O-N 2.81Å; T668-R670 VanDerWaalsContact C-N 3.33Å; T668-R670 PolarHBondContact O-N 3.48Å; R670-A673 PolarHBondContact O-N 2.93Å; R670-Q674 WeakPolarHBondContact O-CG 3.34Å; R670-Q674 PolarHBondContact O-N 3.39Å
671	S	87.9	Confident	87.6	Confident	13 Å²	13	39.2 Å²	39.2	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-47	178.7	177.6	0	0	0	0	111.3	N588 N667 T668 Q674 Q675	N588-S671 WeakPolarHBondContact O-CB 3.42Å; N588-S671 PolarHBondContact O-OG 3.17Å; N667-S671 WeakPolarHBondContact O-CB 3.44Å; N667-S671 PolarHBondContact O-N 2.63Å; T668-S671 PolarHBondContact O-N 3.39Å; S671-Q674 PolarHBondContact O-N 3.37Å; S671-Q675 WeakPolarHBondContact O-CG 3.48Å; S671-Q675 PolarHBondContact O-N 2.85Å; S671-Q675 PolarHBondContact OG-NE2 3.07Å
672	I	89.7	Confident	86.9	Confident	5 Å²	5	44 Å²	44	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-67	-40.8	179	-66.3	171	0	0	0	110.6	K419 T424 V640 M660 T668 Q674 Q675 C676	K419-I672 HydrophobicContact CD-CD1 3.65Å; K419-I672 HydrophobicContact CG-CD1 4.32Å; K419-I672 HydrophobicContact CG-CG2 4.14Å; T424-I672 HydrophobicContact CG2-CD1 4.23Å; T424-I672 HydrophobicContact CG2-CG2 4.15Å; V640-I672 HydrophobicContact CG2-CG2 3.93Å; M660-I672 HydrophobicContact CE-CB 4.1Å; M660-I672 HydrophobicContact CE-CG2 3.59Å; T668-I672 HydrophobicContact CG2-CD1 3.77Å; T668-I672 WeakPolarHBondContact O-CB 3.37Å; T668-I672 WeakPolarHBondContact O-CG1 3.02Å; T668-I672 PolarHBondContact O-N 2.63Å; I672-Q674 VanDerWaalsContact C-N 3.28Å; I672-Q674 PolarHBondContact O-N 2.8Å; I672-Q675 PolarHBondContact O-N 2.8Å; I672-C676 WeakPolarHBondContact O-CB 3.11Å; I672-C676 PolarHBondContact O-N 2.88Å; I672-C676 PolarHBondContact O-SG 3.37Å
673	A	91.9	Very high	86.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-34.2	176.8	0	0	0	0	0	112.9	M660 A669 R670 G677 I678 I679 V718	M660-A673 HydrophobicContact CE-CB 3.96Å; A669-A673 WeakPolarHBondContact O-CB 3.07Å; A669-A673 PolarHBondContact O-N 2.89Å; R670-A673 PolarHBondContact O-N 2.93Å; A673-G677 PolarHBondContact O-N 3.38Å; A673-I678 HydrophobicContact CB-CB 4.22Å; A673-I678 PolarHBondContact O-N 2.85Å; A673-I679 HydrophobicContact CB-CD1 3.9Å; A673-I679 HydrophobicContact CB-CG1 4.18Å; A673-I679 PolarHBondContact O-N 2.56Å; A673-V718 HydrophobicContact CB-CG2 3.47Å; A673-V718 VanDerWaalsContact CB-CG2 3.47Å
674	Q	90.8	Very high	86.4	Confident	89 Å²	89	50.5 Å²	50.5	42%	0.416	29%	0.286	S	S	.	.	H	α-helix	trans	-69.1	-45	172.5	-73.6	174.5	-18.7	0	0	111.6	R670 S671 I672 C676 G677	R670-Q674 WeakPolarHBondContact O-CG 3.34Å; R670-Q674 PolarHBondContact O-N 3.39Å; S671-Q674 PolarHBondContact O-N 3.37Å; I672-Q674 VanDerWaalsContact C-N 3.28Å; I672-Q674 PolarHBondContact O-N 2.8Å; Q674-C676 VanDerWaalsContact C-N 3.32Å; Q674-C676 PolarHBondContact O-N 3.32Å; Q674-G677 PolarHBondContact O-N 3.22Å; Q674-G677 VanDerWaalsContact O-N 3.13Å
675	Q	89.7	Confident	86.7	Confident	86 Å²	86	51.9 Å²	51.9	40%	0.402	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-38.5	176.9	-69.4	173.9	33.4	0	0	112.3	V640 S671 I672 G677	V640-Q675 HydrophobicContact CG2-CB 4.1Å; S671-Q675 WeakPolarHBondContact O-CG 3.48Å; S671-Q675 PolarHBondContact O-N 2.85Å; S671-Q675 PolarHBondContact OG-NE2 3.07Å; I672-Q675 PolarHBondContact O-N 2.8Å; Q675-G677 VanDerWaalsContact C-N 3.3Å; Q675-G677 PolarHBondContact O-N 2.87Å
676	C	91.7	Very high	87	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-72.6	-17.7	176.1	-71.3	0	0	0	0	113.8	V640 V644 I648 I672 Q674 I678	V640-C676 VanDerWaalsContact CG1-SG 3.59Å; V644-C676 HydrophobicContact CG1-CB 4.31Å; I648-C676 HydrophobicContact CD1-CB 3.65Å; I672-C676 WeakPolarHBondContact O-CB 3.11Å; I672-C676 PolarHBondContact O-N 2.88Å; I672-C676 PolarHBondContact O-SG 3.37Å; Q674-C676 VanDerWaalsContact C-N 3.32Å; Q674-C676 PolarHBondContact O-N 3.32Å; C676-I678 HydrophobicContact CB-CD1 4.15Å; C676-I678 HydrophobicContact CB-CG1 4.04Å
677	G	91.8	Very high	87.2	Confident	18 Å²	18	51.7 Å²	51.7	19%	0.186	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	21.5	-173.5	0	0	0	0	0	114.6	Q652 A673 Q674 Q675	Q652-G677 PolarHBondContact NE2-O 3.2Å; A673-G677 PolarHBondContact O-N 3.38Å; Q674-G677 PolarHBondContact O-N 3.22Å; Q674-G677 VanDerWaalsContact O-N 3.13Å; Q675-G677 VanDerWaalsContact C-N 3.3Å; Q675-G677 PolarHBondContact O-N 2.87Å
678	I	92.9	Very high	87.5	Confident	3 Å²	3	49 Å²	49	2%	0.015	28%	0.276	C	S	.	.	S	Bend	trans	-74.7	-37.8	173.2	-62.9	174	0	0	0	110.2	L423 I648 V658 M660 A673 C676 R717	L423-I678 HydrophobicContact CD1-CD1 4.13Å; I648-I678 HydrophobicContact CD1-CD1 4.12Å; I648-I678 HydrophobicContact CD1-CG1 3.83Å; I648-I678 HydrophobicContact CG2-CG1 4.24Å; V658-I678 HydrophobicContact CG1-CD1 4.16Å; V658-I678 HydrophobicContact CG1-CG1 4.38Å; M660-I678 HydrophobicContact CB-CD1 4.15Å; M660-I678 HydrophobicContact CE-CD1 4.06Å; A673-I678 HydrophobicContact CB-CB 4.22Å; A673-I678 PolarHBondContact O-N 2.85Å; C676-I678 HydrophobicContact CB-CD1 4.15Å; C676-I678 HydrophobicContact CB-CG1 4.04Å; I678-R717 HydrophobicContact CG2-CB 4.1Å
679	I	91.3	Very high	87.9	Confident	14 Å²	14	50.7 Å²	50.7	7%	0.072	28%	0.282	C	S	.	.	S	Bend	trans	-117.8	131.1	177.6	-61.6	173	0	0	0	108.7	A673 V687 R717 V718	A673-I679 HydrophobicContact CB-CD1 3.9Å; A673-I679 HydrophobicContact CB-CG1 4.18Å; A673-I679 PolarHBondContact O-N 2.56Å; I679-V687 HydrophobicContact CD1-CG2 3.41Å; I679-V687 VanDerWaalsContact CD1-CG2 3.41Å; I679-R717 HydrophobicContact CD1-CB 4.42Å; I679-R717 HydrophobicContact CG1-CB 4.02Å; I679-V718 HydrophobicContact CD1-CB 4.38Å; I679-V718 HydrophobicContact CD1-CG2 3.5Å; I679-V718 HydrophobicContact CG1-CG2 4.3Å
680	N	85.8	Confident	87.9	Confident	93 Å²	93	50.7 Å²	50.7	50%	0.497	28%	0.282	S	S	.	.			trans	-93.9	135.4	165.5	-68.4	-26	0	0	0	108.6	A682 S683	N680-A682 PolarHBondContact O-N 2.7Å; N680-S683 PolarHBondContact N-OG 3.38Å; N680-S683 PolarHBondContact O-N 3.48Å; N680-S683 PolarHBondContact O-OG 2.77Å
681	P	76.4	Confident	87.9	Confident	118 Å²	118	49.4 Å²	49.4	77%	0.766	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.1	179.5	-27.2	34.5	0	0	0	114.6
682	A	78.7	Confident	88.1	Confident	103 Å²	103	51.3 Å²	51.3	85%	0.851	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	1	179.9	0	0	0	0	0	114.9	N680	N680-A682 PolarHBondContact O-N 2.7Å
683	S	77.5	Confident	88.2	Confident	34 Å²	34	51 Å²	51	24%	0.238	30%	0.296	C	S	.	.	S	Bend	trans	-104.2	140.4	-173.8	56.9	0	0	0	0	112.7	N680 F685	N680-S683 PolarHBondContact N-OG 3.38Å; N680-S683 PolarHBondContact O-N 3.48Å; N680-S683 PolarHBondContact O-OG 2.77Å; S683-F685 VanDerWaalsContact CB-CD2 3.5Å; S683-F685 PolarHBondContact O-N 2.71Å; S683-F685 WeakPolarHBondContact OG-CD2 3.34Å; S683-F685 VanDerWaalsContact OG-CE2 3.31Å; S683-F685 WeakPolarHBondContact OG-CE2 3.47Å
684	D	81.1	Confident	88	Confident	161 Å²	161	52.3 Å²	52.3	86%	0.861	30%	0.302	S	S	*	.			trans	-74.6	29.8	179.1	-60.7	-33.4	0	0	0	113.7
685	F	86.9	Confident	87.9	Confident	74 Å²	74	55.1 Å²	55.1	33%	0.325	32%	0.316	S	S	.	.			trans	-72.6	139.8	-178.6	-66	-43.8	0	0	0	111.8	S683 R717	S683-F685 VanDerWaalsContact CB-CD2 3.5Å; S683-F685 PolarHBondContact O-N 2.71Å; S683-F685 WeakPolarHBondContact OG-CD2 3.34Å; S683-F685 VanDerWaalsContact OG-CE2 3.31Å; S683-F685 WeakPolarHBondContact OG-CE2 3.47Å; F685-R717 HydrophobicContact CB-CB 4.24Å; F685-R717 HydrophobicContact CB-CG 3.56Å; F685-R717 HydrophobicContact CD1-CG 3.97Å; F685-R717 HydrophobicContact CD2-CG 3.91Å; F685-R717 HydrophobicContact CG-CG 3.54Å
686	L	88.9	Confident	87.8	Confident	59 Å²	59	55.6 Å²	55.6	31%	0.309	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	133.1	-178.9	-65	179.4	0	0	0	111.2	L688 I712 T715 L716 R717	L686-L688 HydrophobicContact CB-CG 4.47Å; L686-I712 HydrophobicContact CD1-CG2 4.24Å; L686-T715 WeakPolarHBondContact CD1-OG1 3.45Å; L686-T715 PolarHBondContact N-O 3.44Å; L686-L716 HydrophobicContact CB-CD1 4.4Å; L686-R717 PolarHBondContact O-N 3.38Å
687	V	91.3	Very high	87.6	Confident	29 Å²	29	55.6 Å²	55.6	18%	0.176	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.2	169.2	-173.3	0	0	0	0	106.5	L666 I679 V718	L666-V687 HydrophobicContact CD1-CB 4.4Å; L666-V687 HydrophobicContact CD1-CG1 3.42Å; L666-V687 VanDerWaalsContact CD1-CG1 3.42Å; L666-V687 HydrophobicContact CG-CG1 4.17Å; I679-V687 HydrophobicContact CD1-CG2 3.41Å; I679-V687 VanDerWaalsContact CD1-CG2 3.41Å; V687-V718 WeakPolarHBondContact CA-O 3.18Å; V687-V718 HydrophobicContact CB-CB 4.37Å; V687-V718 HydrophobicContact CG1-CB 3.77Å; V687-V718 HydrophobicContact CG1-CG1 3.79Å; V687-V718 HydrophobicContact CG2-CB 4.31Å
688	L	92.4	Very high	87.4	Confident	17 Å²	17	60 Å²	60	9%	0.089	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152.7	-174.8	-63.8	178	0	0	0	110.9	L686 V692 K696 I712 L716 V718 L719 A720	L686-L688 HydrophobicContact CB-CG 4.47Å; L688-V692 HydrophobicContact CD2-CG1 4.19Å; L688-K696 HydrophobicContact CD1-CD 4.48Å; L688-I712 HydrophobicContact CD1-CG2 3.78Å; L688-L716 HydrophobicContact CB-CD1 4.06Å; L688-L716 HydrophobicContact CD1-CD1 3.98Å; L688-L716 HydrophobicContact CG-CD1 3.99Å; L688-V718 PolarHBondContact N-O 3.5Å; L688-L719 HydrophobicContact CB-CD1 4.45Å; L688-L719 WeakPolarHBondContact O-CA 3.49Å; L688-A720 PolarHBondContact O-N 2.7Å
689	E	91.7	Very high	86.8	Confident	53 Å²	53	61.5 Å²	61.5	25%	0.248	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	150.4	165.4	-60	-167.7	157.5	0	0	110.5	L666 V692 F693 A720	L666-E689 HydrophobicContact CB-CG 4.12Å; L666-E689 HydrophobicContact CD1-CG 3.87Å; L666-E689 HydrophobicContact CD2-CG 4.43Å; L666-E689 HydrophobicContact CG-CG 4.37Å; E689-V692 HydrophobicContact CB-CG2 4.41Å; E689-V692 PolarHBondContact O-N 3.37Å; E689-F693 PolarHBondContact O-N 3.41Å; E689-A720 CarbonylContact C-O 3.55Å; E689-A720 VanDerWaalsContact CA-O 3.28Å; E689-A720 WeakPolarHBondContact CA-O 3.11Å
690	G	88.4	Confident	86.2	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-48.3	-47.9	178	0	0	0	0	0	114.6	V692 F693 N694 A720	G690-V692 PolarHBondContact O-N 3.24Å; G690-F693 WeakPolarHBondContact O-CB 3.35Å; G690-F693 PolarHBondContact O-N 2.79Å; G690-N694 PolarHBondContact O-N 3.07Å; G690-N694 PolarHBondContact O-ND2 3.39Å; G690-N694 VanDerWaalsContact O-ND2 3.15Å; G690-A720 PolarHBondContact N-O 3.46Å
691	P	89.3	Confident	85.7	Confident	68 Å²	68	72.2 Å²	72.2	44%	0.442	39%	0.387	S	S	.	.	H	α-helix	trans	-60.5	-41.9	176.5	-26.3	35.7	0	0	0	113.4	N694 Q695	P691-N694 PolarHBondContact O-N 3.1Å; P691-Q695 WeakPolarHBondContact O-CG 3.31Å; P691-Q695 PolarHBondContact O-N 2.85Å
692	V	91.6	Very high	85.7	Confident	53 Å²	53	68.3 Å²	68.3	32%	0.321	37%	0.367	S	S	.	.	H	α-helix	trans	-69.2	-37.4	178.4	-179	0	0	0	0	110.7	L688 E689 G690 Q695 K696	L688-V692 HydrophobicContact CD2-CG1 4.19Å; E689-V692 HydrophobicContact CB-CG2 4.41Å; E689-V692 PolarHBondContact O-N 3.37Å; G690-V692 PolarHBondContact O-N 3.24Å; V692-Q695 PolarHBondContact O-N 3.39Å; V692-K696 HydrophobicContact CG1-CD 4.45Å; V692-K696 WeakPolarHBondContact O-CG 3.12Å; V692-K696 PolarHBondContact O-N 2.73Å; V692-K696 VanDerWaalsContact O-N 3.15Å
693	F	91.3	Very high	85.9	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-61.3	-49.2	173.3	172.8	-108.9	0	0	0	111.2	E689 G690 Q695 K696 I697 L716 L719 D726 L730	E689-F693 PolarHBondContact O-N 3.41Å; G690-F693 WeakPolarHBondContact O-CB 3.35Å; G690-F693 PolarHBondContact O-N 2.79Å; F693-Q695 VanDerWaalsContact C-N 3.34Å; F693-Q695 PolarHBondContact O-N 3.47Å; F693-K696 PolarHBondContact O-N 3.35Å; F693-K696 VanDerWaalsContact O-N 3.09Å; F693-I697 HydrophobicContact CD1-CD1 4.1Å; F693-I697 HydrophobicContact CD2-CG2 4.04Å; F693-I697 HydrophobicContact CE1-CD1 3.63Å; F693-I697 HydrophobicContact CE2-CG2 3.69Å; F693-I697 HydrophobicContact CZ-CD1 3.87Å; F693-I697 HydrophobicContact CZ-CG2 4.02Å; F693-I697 WeakPolarHBondContact O-CG1 3.43Å; F693-I697 WeakPolarHBondContact O-CG2 3.2Å; F693-I697 PolarHBondContact O-N 3.46Å; F693-I697 VanDerWaalsContact O-N 3.15Å; F693-L716 HydrophobicContact CD2-CD2 4.36Å; F693-L716 HydrophobicContact CE2-CD2 4.28Å; F693-L719 HydrophobicContact CB-CD1 3.58Å; F693-L719 HydrophobicContact CD1-CD1 4.21Å; F693-L719 HydrophobicContact CD1-CD2 4.17Å; F693-L719 HydrophobicContact CD2-CD1 4.41Å; F693-L719 HydrophobicContact CE1-CD2 4.38Å; F693-L719 HydrophobicContact CG-CD1 3.83Å; F693-L719 HydrophobicContact CG-CD2 4.49Å; F693-D726 HydrophobicContact CD1-CB 4.45Å; F693-L730 HydrophobicContact CE1-CB 4.45Å; F693-L730 HydrophobicContact CE2-CD1 4.27Å; F693-L730 HydrophobicContact CZ-CB 4.12Å; F693-L730 HydrophobicContact CZ-CD1 4.09Å
694	N	88.3	Confident	86.1	Confident	26 Å²	26	69.9 Å²	69.9	14%	0.139	36%	0.361	C	S	.	.	H	α-helix	trans	-57.8	-43.4	176.8	-85.1	-56.9	0	0	0	112.9	G690 P691 K696 I697 R698 D726	G690-N694 PolarHBondContact O-N 3.07Å; G690-N694 PolarHBondContact O-ND2 3.39Å; G690-N694 VanDerWaalsContact O-ND2 3.15Å; P691-N694 PolarHBondContact O-N 3.1Å; N694-K696 VanDerWaalsContact C-N 3.27Å; N694-K696 PolarHBondContact O-N 3.35Å; N694-I697 PolarHBondContact O-N 3.2Å; N694-R698 WeakPolarHBondContact O-CB 3.43Å; N694-R698 VanDerWaalsContact O-CG 3.27Å; N694-R698 WeakPolarHBondContact O-CG 2.95Å; N694-R698 PolarHBondContact O-N 3.47Å; N694-R698 PolarHBondContact OD1-NE 3.07Å; N694-R698 PolarHBondContact OD1-NH2 3.35Å; N694-D726 VanDerWaalsContact ND2-CG 3.3Å; N694-D726 PolarHBondContact ND2-OD1 3.44Å; N694-D726 PolarHBondContact ND2-OD2 2.89Å
695	Q	88.4	Confident	86.3	Confident	149 Å²	149	66.9 Å²	66.9	70%	0.696	34%	0.34	S	S	*	.	H	α-helix	trans	-61.3	-36.1	176.5	-74	172.1	4.5	0	0	112.5	P691 V692 F693	P691-Q695 WeakPolarHBondContact O-CG 3.31Å; P691-Q695 PolarHBondContact O-N 2.85Å; V692-Q695 PolarHBondContact O-N 3.39Å; F693-Q695 VanDerWaalsContact C-N 3.34Å; F693-Q695 PolarHBondContact O-N 3.47Å
696	K	88	Confident	86.2	Confident	96 Å²	96	65.7 Å²	65.7	42%	0.417	34%	0.336	S	S	.	.	H	α-helix	trans	-80.3	-23.8	-177	-72.6	-175.5	175.5	-167.1	0	114.4	L688 V692 F693 N694 I712	L688-K696 HydrophobicContact CD1-CD 4.48Å; V692-K696 HydrophobicContact CG1-CD 4.45Å; V692-K696 WeakPolarHBondContact O-CG 3.12Å; V692-K696 PolarHBondContact O-N 2.73Å; V692-K696 VanDerWaalsContact O-N 3.15Å; F693-K696 PolarHBondContact O-N 3.35Å; F693-K696 VanDerWaalsContact O-N 3.09Å; N694-K696 VanDerWaalsContact C-N 3.27Å; N694-K696 PolarHBondContact O-N 3.35Å; K696-I712 HydrophobicContact CB-CD1 3.48Å; K696-I712 VanDerWaalsContact CB-CD1 3.48Å; K696-I712 HydrophobicContact CD-CD1 4.04Å; K696-I712 HydrophobicContact CG-CD1 4.38Å
697	I	87.9	Confident	86.1	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-97.7	-17.2	-176.2	67.9	175.8	0	0	0	113.6	F693 N694 V704 K705 I709 I712 T729	F693-I697 HydrophobicContact CD1-CD1 4.1Å; F693-I697 HydrophobicContact CD2-CG2 4.04Å; F693-I697 HydrophobicContact CE1-CD1 3.63Å; F693-I697 HydrophobicContact CE2-CG2 3.69Å; F693-I697 HydrophobicContact CZ-CD1 3.87Å; F693-I697 HydrophobicContact CZ-CG2 4.02Å; F693-I697 WeakPolarHBondContact O-CG1 3.43Å; F693-I697 WeakPolarHBondContact O-CG2 3.2Å; F693-I697 PolarHBondContact O-N 3.46Å; F693-I697 VanDerWaalsContact O-N 3.15Å; N694-I697 PolarHBondContact O-N 3.2Å; I697-V704 HydrophobicContact CD1-CG1 4.26Å; I697-V704 HydrophobicContact CD1-CG2 4.36Å; I697-K705 PolarHBondContact O-N 3.1Å; I697-I709 HydrophobicContact CB-CG1 3.83Å; I697-I709 HydrophobicContact CG2-CG1 3.65Å; I697-I712 HydrophobicContact CG2-CD1 4.22Å; I697-T729 HydrophobicContact CD1-CG2 3.69Å
698	R	86.3	Confident	85.9	Confident	111 Å²	111	70.8 Å²	70.8	42%	0.419	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-93.4	145.3	-179.1	-66.5	178	-171.8	-144.3	5.2	110.6	N694 G702 N703 V704	N694-R698 WeakPolarHBondContact O-CB 3.43Å; N694-R698 VanDerWaalsContact O-CG 3.27Å; N694-R698 WeakPolarHBondContact O-CG 2.95Å; N694-R698 PolarHBondContact O-N 3.47Å; N694-R698 PolarHBondContact OD1-NE 3.07Å; N694-R698 PolarHBondContact OD1-NH2 3.35Å; R698-G702 WeakPolarHBondContact CD-O 3.49Å; R698-N703 WeakPolarHBondContact CA-O 3.16Å; R698-V704 HydrophobicContact CG-CG2 4.3Å
699	D	82.2	Confident	85.8	Confident	34 Å²	34	70.1 Å²	70.1	18%	0.182	35%	0.354	C	S	.	.			trans	-83.3	-178.3	168.4	66.5	0.1	0	0	0	112	N701 G702 N703 K705	D699-N701 PolarHBondContact O-N 3.37Å; D699-N701 VanDerWaalsContact O-N 3.11Å; D699-N701 WeakPolarHBondContact OD1-CA 3.44Å; D699-N701 WeakPolarHBondContact OD1-CB 3.24Å; D699-N701 PolarHBondContact OD1-N 3Å; D699-N701 VanDerWaalsContact OD1-N 3.12Å; D699-G702 PolarHBondContact O-N 3.21Å; D699-G702 PolarHBondContact OD1-N 3.17Å; D699-N703 PolarHBondContact N-O 2.91Å; D699-N703 PolarHBondContact OD1-N 3.02Å; D699-K705 HydrophobicContact CB-CD 3.84Å; D699-K705 HydrophobicContact CB-CG 4.27Å; D699-K705 VanDerWaalsContact CB-NZ 3.32Å; D699-K705 WeakPolarHBondContact OD2-CE 3.25Å; D699-K705 IonicContact OD2-NZ 2.6Å; D699-K705 PolarHBondContact OD2-NZ 2.84Å
700	E	78.7	Confident	85.6	Confident	201 Å²	201	69.1 Å²	69.1	94%	0.939	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.6	176.7	-62.9	177	178	0	0	112.8	G702	E700-G702 VanDerWaalsContact C-N 3.35Å
701	N	74.5	Confident	85.6	Confident	131 Å²	131	76.6 Å²	76.6	70%	0.701	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	0.8	177.5	-60.7	-27.7	0	0	0	113	D699 N703	D699-N701 PolarHBondContact O-N 3.37Å; D699-N701 VanDerWaalsContact O-N 3.11Å; D699-N701 WeakPolarHBondContact OD1-CA 3.44Å; D699-N701 WeakPolarHBondContact OD1-CB 3.24Å; D699-N701 PolarHBondContact OD1-N 3Å; D699-N701 VanDerWaalsContact OD1-N 3.12Å; N701-N703 VanDerWaalsContact C-N 3.25Å; N701-N703 PolarHBondContact O-N 3.4Å
702	G	76.6	Confident	85.6	Confident	35 Å²	35	74 Å²	74	36%	0.361	37%	0.365	S	S	.	.	S	Bend	trans	77.7	4.6	-178.1	0	0	0	0	0	114.7	R698 D699 E700	R698-G702 WeakPolarHBondContact CD-O 3.49Å; D699-G702 PolarHBondContact O-N 3.21Å; D699-G702 PolarHBondContact OD1-N 3.17Å; E700-G702 VanDerWaalsContact C-N 3.35Å
703	N	82.4	Confident	85.5	Confident	103 Å²	103	72.1 Å²	72.1	55%	0.551	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-86.7	139.4	-179.2	-71.1	-43.8	0	0	0	111	R698 D699 N701 K705	R698-N703 WeakPolarHBondContact CA-O 3.16Å; D699-N703 PolarHBondContact N-O 2.91Å; D699-N703 PolarHBondContact OD1-N 3.02Å; N701-N703 VanDerWaalsContact C-N 3.25Å; N701-N703 PolarHBondContact O-N 3.4Å; N703-K705 PolarHBondContact O-N 3.49Å
704	V	81.3	Confident	85.4	Confident	67 Å²	67	74 Å²	74	41%	0.406	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-73.1	117.4	179.6	179	0	0	0	0	110	I697 R698 I709 T729	I697-V704 HydrophobicContact CD1-CG1 4.26Å; I697-V704 HydrophobicContact CD1-CG2 4.36Å; R698-V704 HydrophobicContact CG-CG2 4.3Å; V704-I709 HydrophobicContact CG1-CD1 3.45Å; V704-I709 VanDerWaalsContact CG1-CD1 3.45Å; V704-I709 HydrophobicContact CG1-CG1 4.28Å; V704-T729 HydrophobicContact CG1-CG2 3.89Å; V704-T729 HydrophobicContact CG2-CG2 4.09Å
705	K	85	Confident	85.5	Confident	99 Å²	99	75.4 Å²	75.4	43%	0.43	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-96.9	123.5	175	-75.2	-174.1	174.7	156.3	0	111.2	I697 D699 N703 E707 L708 I709	I697-K705 PolarHBondContact O-N 3.1Å; D699-K705 HydrophobicContact CB-CD 3.84Å; D699-K705 HydrophobicContact CB-CG 4.27Å; D699-K705 VanDerWaalsContact CB-NZ 3.32Å; D699-K705 WeakPolarHBondContact OD2-CE 3.25Å; D699-K705 IonicContact OD2-NZ 2.6Å; D699-K705 PolarHBondContact OD2-NZ 2.84Å; N703-K705 PolarHBondContact O-N 3.49Å; K705-E707 VanDerWaalsContact C-N 3.28Å; K705-E707 PolarHBondContact O-N 3.44Å; K705-L708 HydrophobicContact CB-CB 4.44Å; K705-L708 HydrophobicContact CB-CD1 4.04Å; K705-L708 HydrophobicContact CB-CG 4.02Å; K705-L708 PolarHBondContact O-N 3.4Å; K705-L708 VanDerWaalsContact O-N 3.13Å; K705-I709 PolarHBondContact O-N 2.85Å
706	Q	86.4	Confident	85.7	Confident	48 Å²	48	68.3 Å²	68.3	22%	0.224	34%	0.341	C	S	.	.	H	α-helix	trans	-58.2	-38.1	179.4	-174.9	61.3	40.5	0	0	112.8	L708 I709 D710 G733	Q706-L708 VanDerWaalsContact C-N 3.27Å; Q706-L708 PolarHBondContact O-N 2.92Å; Q706-I709 PolarHBondContact O-N 2.82Å; Q706-D710 PolarHBondContact NE2-OD1 3.11Å; Q706-D710 PolarHBondContact O-N 3.1Å; Q706-G733 PolarHBondContact NE2-O 3.06Å
707	E	86.3	Confident	86	Confident	149 Å²	149	65.2 Å²	65.2	70%	0.696	33%	0.327	S	S	*	.	H	α-helix	trans	-62.6	-32.4	179.3	-64	179.6	-179.1	0	0	113.2	K705 K711	K705-E707 VanDerWaalsContact C-N 3.28Å; K705-E707 PolarHBondContact O-N 3.44Å; E707-K711 WeakPolarHBondContact O-CG 3.39Å; E707-K711 PolarHBondContact O-N 3.26Å
708	L	88	Confident	86.3	Confident	47 Å²	47	65.2 Å²	65.2	25%	0.246	33%	0.327	C	S	.	.	H	α-helix	trans	-74.6	-39.9	177.4	-63.5	-179.3	0	0	0	110.9	K705 Q706 D710 K711	K705-L708 HydrophobicContact CB-CB 4.44Å; K705-L708 HydrophobicContact CB-CD1 4.04Å; K705-L708 HydrophobicContact CB-CG 4.02Å; K705-L708 PolarHBondContact O-N 3.4Å; K705-L708 VanDerWaalsContact O-N 3.13Å; Q706-L708 VanDerWaalsContact C-N 3.27Å; Q706-L708 PolarHBondContact O-N 2.92Å; L708-D710 VanDerWaalsContact C-N 3.31Å; L708-D710 PolarHBondContact O-N 3.06Å; L708-K711 PolarHBondContact O-N 3.41Å
709	I	88.4	Confident	86.6	Confident	2 Å²	2	60 Å²	60	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-58.7	-46.5	171.8	-64.9	178.7	0	0	0	109.9	I697 V704 K705 Q706 K711 I712 W713 T729	I697-I709 HydrophobicContact CB-CG1 3.83Å; I697-I709 HydrophobicContact CG2-CG1 3.65Å; V704-I709 HydrophobicContact CG1-CD1 3.45Å; V704-I709 VanDerWaalsContact CG1-CD1 3.45Å; V704-I709 HydrophobicContact CG1-CG1 4.28Å; K705-I709 PolarHBondContact O-N 2.85Å; Q706-I709 PolarHBondContact O-N 2.82Å; I709-K711 PolarHBondContact O-N 3.35Å; I709-K711 VanDerWaalsContact O-N 3.11Å; I709-I712 PolarHBondContact O-N 3.41Å; I709-W713 HydrophobicContact CG2-CB 4.22Å; I709-W713 HydrophobicContact CG2-CG 4.39Å; I709-W713 PolarHBondContact O-N 2.91Å; I709-T729 HydrophobicContact CD1-CG2 4.29Å
710	D	88.7	Confident	87.1	Confident	32 Å²	32	58.3 Å²	58.3	17%	0.171	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-24	-177.4	-75.8	-9.5	0	0	0	114.1	Q706 L708 W713 P714 S737	Q706-D710 PolarHBondContact NE2-OD1 3.11Å; Q706-D710 PolarHBondContact O-N 3.1Å; L708-D710 VanDerWaalsContact C-N 3.31Å; L708-D710 PolarHBondContact O-N 3.06Å; D710-W713 VanDerWaalsContact CA-CD1 3.46Å; D710-W713 PolarHBondContact OD1-NE1 3.36Å; D710-P714 WeakPolarHBondContact O-CD 3.41Å; D710-P714 WeakPolarHBondContact O-CG 3.4Å; D710-S737 WeakPolarHBondContact OD1-CB 3.2Å; D710-S737 PolarHBondContact OD1-OG 2.9Å; D710-S737 VanDerWaalsContact OD1-OG 3.05Å
711	K	88.1	Confident	87.5	Confident	157 Å²	157	55.6 Å²	55.6	68%	0.683	28%	0.279	S	S	*	.	H	α-helix	trans	-78.2	-25	173.7	-67.8	174.8	-175.2	178.4	0	113.6	E707 L708 I709	E707-K711 WeakPolarHBondContact O-CG 3.39Å; E707-K711 PolarHBondContact O-N 3.26Å; L708-K711 PolarHBondContact O-N 3.41Å; I709-K711 PolarHBondContact O-N 3.35Å; I709-K711 VanDerWaalsContact O-N 3.11Å
712	I	89.4	Confident	88	Confident	15 Å²	15	50.1 Å²	50.1	8%	0.077	25%	0.251	C	S	.	.	H	α-helix	trans	-108.9	-45.2	-166.5	-59.1	166.5	0	0	0	111.8	L686 L688 K696 I697 I709 P714 T715 L716	L686-I712 HydrophobicContact CD1-CG2 4.24Å; L688-I712 HydrophobicContact CD1-CG2 3.78Å; K696-I712 HydrophobicContact CB-CD1 3.48Å; K696-I712 VanDerWaalsContact CB-CD1 3.48Å; K696-I712 HydrophobicContact CD-CD1 4.04Å; K696-I712 HydrophobicContact CG-CD1 4.38Å; I697-I712 HydrophobicContact CG2-CD1 4.22Å; I709-I712 PolarHBondContact O-N 3.41Å; I712-P714 VanDerWaalsContact C-N 3.32Å; I712-T715 PolarHBondContact O-N 3.22Å; I712-T715 PolarHBondContact O-OG1 3.16Å; I712-L716 HydrophobicContact CG2-CB 4.46Å; I712-L716 WeakPolarHBondContact O-CB 3.31Å; I712-L716 PolarHBondContact O-N 3.39Å
713	W	89.3	Confident	88.4	Confident	12 Å²	12	50.6 Å²	50.6	5%	0.045	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.5	-173.3	81.4	-100.8	0	0	0	115.1	R659 I709 D710 T715 L730 I734 S737 L739 E744	R659-W713 PolarHBondContact NE-O 3.49Å; R659-W713 PolarHBondContact NH2-O 2.91Å; I709-W713 HydrophobicContact CG2-CB 4.22Å; I709-W713 HydrophobicContact CG2-CG 4.39Å; I709-W713 PolarHBondContact O-N 2.91Å; D710-W713 VanDerWaalsContact CA-CD1 3.46Å; D710-W713 PolarHBondContact OD1-NE1 3.36Å; W713-T715 PolarHBondContact O-N 3.45Å; W713-L730 HydrophobicContact CB-CD1 4.34Å; W713-I734 HydrophobicContact CB-CG1 4.08Å; W713-I734 HydrophobicContact CD2-CG1 4.03Å; W713-I734 HydrophobicContact CE3-CD1 4.44Å; W713-I734 HydrophobicContact CE3-CG1 3.9Å; W713-I734 HydrophobicContact CE3-CG2 4.09Å; W713-I734 HydrophobicContact CG-CG1 4.08Å; W713-I734 HydrophobicContact CZ3-CG2 4.13Å; W713-S737 WeakPolarHBondContact CZ2-OG 3.48Å; W713-S737 PolarHBondContact NE1-OG 3.28Å; W713-S737 VanDerWaalsContact NE1-OG 3.15Å; W713-L739 HydrophobicContact CZ2-CB 4.38Å; W713-L739 HydrophobicContact CZ2-CD2 4.27Å; W713-E744 HydrophobicContact CH2-CG 3.57Å; W713-E744 HydrophobicContact CZ2-CG 4.25Å; W713-E744 HydrophobicContact CZ3-CG 4.15Å
714	P	89.1	Confident	88.4	Confident	40 Å²	40	48.3 Å²	48.3	26%	0.26	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-37	178.6	-23.5	35.6	0	0	0	113.1	D710 I712 R717 L739	D710-P714 WeakPolarHBondContact O-CD 3.41Å; D710-P714 WeakPolarHBondContact O-CG 3.4Å; I712-P714 VanDerWaalsContact C-N 3.32Å; P714-R717 PolarHBondContact O-NH1 2.85Å; P714-R717 PolarHBondContact O-NH2 3.49Å; P714-L739 HydrophobicContact CB-CD2 4.43Å; P714-L739 HydrophobicContact CG-CD2 3.52Å
715	T	90.3	Very high	88.6	Confident	55 Å²	55	48 Å²	48	34%	0.337	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-19.6	-178.6	52.8	0	0	0	0	113	L686 I712 W713 R717	L686-T715 WeakPolarHBondContact CD1-OG1 3.45Å; L686-T715 PolarHBondContact N-O 3.44Å; I712-T715 PolarHBondContact O-N 3.22Å; I712-T715 PolarHBondContact O-OG1 3.16Å; W713-T715 PolarHBondContact O-N 3.45Å; T715-R717 PolarHBondContact O-N 3.4Å
716	L	93.1	Very high	88.9	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	124.4	175.1	-172.1	63.7	0	0	0	111.3	R659 L686 L688 F693 I712 V718 L730	R659-L716 PolarHBondContact NE-O 3.48Å; R659-L716 VanDerWaalsContact NE-O 3.14Å; L686-L716 HydrophobicContact CB-CD1 4.4Å; L688-L716 HydrophobicContact CB-CD1 4.06Å; L688-L716 HydrophobicContact CD1-CD1 3.98Å; L688-L716 HydrophobicContact CG-CD1 3.99Å; F693-L716 HydrophobicContact CD2-CD2 4.36Å; F693-L716 HydrophobicContact CE2-CD2 4.28Å; I712-L716 HydrophobicContact CG2-CB 4.46Å; I712-L716 WeakPolarHBondContact O-CB 3.31Å; I712-L716 PolarHBondContact O-N 3.39Å; L716-V718 WeakPolarHBondContact CD1-O 3.33Å; L716-L730 HydrophobicContact CD2-CD1 3.92Å; L716-L730 HydrophobicContact CD2-CD2 4.28Å
717	R	93.9	Very high	89	Confident	30 Å²	30	41.8 Å²	41.8	11%	0.113	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-31.5	174.6	-69.1	-65.5	173.8	-84.7	-2.5	113.2	R659 M660 I678 I679 F685 L686 P714 T715	R659-R717 CarbonylContact C-O 3.53Å; R659-R717 VanDerWaalsContact CA-O 3.3Å; R659-R717 WeakPolarHBondContact CA-O 3.36Å; M660-R717 PolarHBondContact N-O 3Å; I678-R717 HydrophobicContact CG2-CB 4.1Å; I679-R717 HydrophobicContact CD1-CB 4.42Å; I679-R717 HydrophobicContact CG1-CB 4.02Å; F685-R717 HydrophobicContact CB-CB 4.24Å; F685-R717 HydrophobicContact CB-CG 3.56Å; F685-R717 HydrophobicContact CD1-CG 3.97Å; F685-R717 HydrophobicContact CD2-CG 3.91Å; F685-R717 HydrophobicContact CG-CG 3.54Å; L686-R717 PolarHBondContact O-N 3.38Å; P714-R717 PolarHBondContact O-NH1 2.85Å; P714-R717 PolarHBondContact O-NH2 3.49Å; T715-R717 PolarHBondContact O-N 3.4Å
718	V	94.1	Very high	89.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.8	-179.2	175.6	0	0	0	0	109.4	M660 A669 A673 I679 V687 L688 L716	M660-V718 HydrophobicContact CB-CG2 4.23Å; M660-V718 CarbonylContact O-C 3.6Å; M660-V718 WeakPolarHBondContact O-CA 3.42Å; A669-V718 HydrophobicContact CB-CG1 3.7Å; A673-V718 HydrophobicContact CB-CG2 3.47Å; A673-V718 VanDerWaalsContact CB-CG2 3.47Å; I679-V718 HydrophobicContact CD1-CB 4.38Å; I679-V718 HydrophobicContact CD1-CG2 3.5Å; I679-V718 HydrophobicContact CG1-CG2 4.3Å; V687-V718 WeakPolarHBondContact CA-O 3.18Å; V687-V718 HydrophobicContact CB-CB 4.37Å; V687-V718 HydrophobicContact CG1-CB 3.77Å; V687-V718 HydrophobicContact CG1-CG1 3.79Å; V687-V718 HydrophobicContact CG2-CB 4.31Å; L688-V718 PolarHBondContact N-O 3.5Å; L716-V718 WeakPolarHBondContact CD1-O 3.33Å
719	L	94	Very high	89.3	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	102.8	168.7	-175.2	64.2	0	0	0	108.2	M660 V661 T662 L688 F693 D726 L730	M660-L719 PolarHBondContact O-N 3.48Å; V661-L719 WeakPolarHBondContact CA-O 3.48Å; V661-L719 HydrophobicContact CG1-CB 4.34Å; V661-L719 HydrophobicContact CG1-CD2 4.17Å; V661-L719 HydrophobicContact CG2-CB 4.41Å; T662-L719 PolarHBondContact N-O 2.93Å; L688-L719 HydrophobicContact CB-CD1 4.45Å; L688-L719 WeakPolarHBondContact O-CA 3.49Å; F693-L719 HydrophobicContact CB-CD1 3.58Å; F693-L719 HydrophobicContact CD1-CD1 4.21Å; F693-L719 HydrophobicContact CD1-CD2 4.17Å; F693-L719 HydrophobicContact CD2-CD1 4.41Å; F693-L719 HydrophobicContact CE1-CD2 4.38Å; F693-L719 HydrophobicContact CG-CD1 3.83Å; F693-L719 HydrophobicContact CG-CD2 4.49Å; L719-D726 HydrophobicContact CD2-CB 4.32Å; L719-L730 HydrophobicContact CD2-CD2 4.1Å
720	A	91.3	Very high	89.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	162.3	-179.8	0	0	0	0	0	111.2	T662 L666 A669 L688 E689 G690 S722	T662-A720 CarbonylContact O-C 3.59Å; T662-A720 VanDerWaalsContact O-C 3.3Å; T662-A720 WeakPolarHBondContact O-CA 3.09Å; L666-A720 HydrophobicContact CB-CB 4.32Å; L666-A720 HydrophobicContact CD1-CB 3.99Å; A669-A720 HydrophobicContact CB-CB 3.89Å; L688-A720 PolarHBondContact O-N 2.7Å; E689-A720 CarbonylContact C-O 3.55Å; E689-A720 VanDerWaalsContact CA-O 3.28Å; E689-A720 WeakPolarHBondContact CA-O 3.11Å; G690-A720 PolarHBondContact N-O 3.46Å; A720-S722 PolarHBondContact O-N 3.47Å
721	R	87.1	Confident	89.6	Confident	143 Å²	143	35.7 Å²	35.7	54%	0.54	19%	0.185	S	C	.	.	S	Bend	trans	44.4	37.6	-173.7	-66.8	-174.2	169.6	177.2	-2.9	112.8	T662 D664	T662-R721 PolarHBondContact O-N 3.11Å; D664-R721 WeakPolarHBondContact O-CG 3.41Å; D664-R721 PolarHBondContact O-N 3.25Å
722	S	86.2	Confident	89.7	Confident	16 Å²	16	31.7 Å²	31.7	11%	0.112	17%	0.168	C	C	.	.			trans	-73.6	131.2	-178.8	-175.2	0	0	0	0	109.6	V661 T662 A720 D726	V661-S722 WeakPolarHBondContact CG1-OG 3.44Å; T662-S722 PolarHBondContact O-N 3.46Å; A720-S722 PolarHBondContact O-N 3.47Å; S722-D726 WeakPolarHBondContact OG-CB 3.48Å
723	S	84.7	Confident	89.7	Confident	45 Å²	45	31.1 Å²	31.1	32%	0.315	17%	0.165	S	C	.	.			trans	-74.8	163.4	163	81.4	0	0	0	0	110.6	A725 D726 K727	S723-A725 PolarHBondContact O-N 3.48Å; S723-A725 PolarHBondContact OG-N 3.33Å; S723-D726 PolarHBondContact N-OD2 3.48Å; S723-D726 WeakPolarHBondContact O-CB 3.29Å; S723-D726 PolarHBondContact O-N 2.92Å; S723-D726 VanDerWaalsContact O-N 3.15Å; S723-D726 PolarHBondContact OG-N 3.02Å; S723-D726 VanDerWaalsContact OG-N 3.08Å; S723-D726 PolarHBondContact OG-OD1 2.92Å; S723-D726 PolarHBondContact OG-OD2 3.46Å; S723-K727 PolarHBondContact O-N 3.42Å; S723-K727 VanDerWaalsContact O-N 3.15Å
724	P	82.8	Confident	89.8	Confident	56 Å²	56	30.5 Å²	30.5	36%	0.364	16%	0.163	S	C	.	.	H	α-helix	trans	-57.6	-38.3	171.7	-26.7	37.9	0	0	0	112.7	D726 K727 Y728 N754	P724-D726 VanDerWaalsContact C-N 3.33Å; P724-D726 PolarHBondContact O-N 3.4Å; P724-K727 PolarHBondContact O-N 3.14Å; P724-Y728 PolarHBondContact O-N 3.15Å; P724-N754 HydrophobicContact CB-CB 4.14Å; P724-N754 WeakPolarHBondContact CB-O 3.32Å; P724-N754 HydrophobicContact CG-CB 3.67Å
725	A	85.5	Confident	89.8	Confident	59 Å²	59	29.2 Å²	29.2	49%	0.488	15%	0.153	S	C	.	.	H	α-helix	trans	-65.7	-34.6	176.3	0	0	0	0	0	112.4	S723 Y728 T729	S723-A725 PolarHBondContact O-N 3.48Å; S723-A725 PolarHBondContact OG-N 3.33Å; A725-Y728 PolarHBondContact O-N 3.35Å; A725-T729 WeakPolarHBondContact O-CB 3.46Å; A725-T729 PolarHBondContact O-N 2.92Å; A725-T729 PolarHBondContact O-OG1 3.47Å
726	D	89.5	Confident	89.6	Confident	8 Å²	8	28.6 Å²	28.6	4%	0.043	15%	0.147	C	C	.	.	H	α-helix	trans	-67.2	-41.7	176.3	-55.3	-15.3	0	0	0	110.5	F693 N694 L719 S722 S723 P724 T729 L730	F693-D726 HydrophobicContact CD1-CB 4.45Å; N694-D726 VanDerWaalsContact ND2-CG 3.3Å; N694-D726 PolarHBondContact ND2-OD1 3.44Å; N694-D726 PolarHBondContact ND2-OD2 2.89Å; L719-D726 HydrophobicContact CD2-CB 4.32Å; S722-D726 WeakPolarHBondContact OG-CB 3.48Å; S723-D726 PolarHBondContact N-OD2 3.48Å; S723-D726 WeakPolarHBondContact O-CB 3.29Å; S723-D726 PolarHBondContact O-N 2.92Å; S723-D726 VanDerWaalsContact O-N 3.15Å; S723-D726 PolarHBondContact OG-N 3.02Å; S723-D726 VanDerWaalsContact OG-N 3.08Å; S723-D726 PolarHBondContact OG-OD1 2.92Å; S723-D726 PolarHBondContact OG-OD2 3.46Å; P724-D726 VanDerWaalsContact C-N 3.33Å; P724-D726 PolarHBondContact O-N 3.4Å; D726-T729 PolarHBondContact O-N 3.16Å; D726-L730 WeakPolarHBondContact O-CB 3.31Å; D726-L730 PolarHBondContact O-N 2.95Å
727	K	88.6	Confident	89.3	Confident	10 Å²	10	28.6 Å²	28.6	4%	0.043	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-48.7	175.1	-171.8	179.2	-73.5	-173.3	0	110.3	D418 V661 S723 P724 T729 L730 V731 D755 A758	D418-K727 IonicContact OD1-NZ 3.29Å; D418-K727 PolarHBondContact OD1-NZ 3.32Å; V661-K727 HydrophobicContact CG1-CB 4.01Å; V661-K727 HydrophobicContact CG1-CD 4.37Å; V661-K727 HydrophobicContact CG1-CG 3.93Å; S723-K727 PolarHBondContact O-N 3.42Å; S723-K727 VanDerWaalsContact O-N 3.15Å; P724-K727 PolarHBondContact O-N 3.14Å; K727-T729 PolarHBondContact O-N 2.68Å; K727-L730 PolarHBondContact O-N 2.85Å; K727-V731 VanDerWaalsContact O-CG2 3.25Å; K727-V731 WeakPolarHBondContact O-CG2 3.26Å; K727-V731 PolarHBondContact O-N 3.41Å; K727-D755 WeakPolarHBondContact CD-OD1 3.23Å; K727-D755 WeakPolarHBondContact CE-OD1 3.29Å; K727-D755 IonicContact NZ-OD1 3.96Å; K727-D755 PolarHBondContact NZ-OD1 2.95Å; K727-D755 IonicContact NZ-OD2 3.42Å; K727-A758 HydrophobicContact CB-CB 4.39Å; K727-A758 HydrophobicContact CD-CB 3.98Å; K727-A758 HydrophobicContact CG-CB 3.8Å
728	Y	89.7	Confident	88.7	Confident	76 Å²	76	35.4 Å²	35.4	30%	0.298	18%	0.177	S	C	.	.	H	α-helix	trans	-57.9	-46.9	174.5	174.9	-89.5	0	0	0	112.5	P724 A725 L730 V731 K732 P757 K761	P724-Y728 PolarHBondContact O-N 3.15Å; A725-Y728 PolarHBondContact O-N 3.35Å; Y728-L730 PolarHBondContact O-N 3.31Å; Y728-V731 PolarHBondContact O-N 2.87Å; Y728-K732 HydrophobicContact CE1-CB 4.44Å; Y728-K732 HydrophobicContact CE1-CD 3.81Å; Y728-K732 VanDerWaalsContact O-CB 3.32Å; Y728-K732 WeakPolarHBondContact O-CB 3.46Å; Y728-K732 PolarHBondContact O-N 3.4Å; Y728-P757 HydrophobicContact CD2-CB 4.18Å; Y728-K761 HydrophobicContact CD2-CB 3.93Å; Y728-K761 HydrophobicContact CD2-CG 4.13Å; Y728-K761 HydrophobicContact CE2-CB 3.7Å; Y728-K761 HydrophobicContact CE2-CD 4.14Å; Y728-K761 HydrophobicContact CE2-CG 3.68Å
729	T	91.1	Very high	88.2	Confident	24 Å²	24	40.8 Å²	40.8	15%	0.147	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-41.1	-177.7	-58.5	0	0	0	0	111.6	I697 V704 I709 A725 D726 K727 G733	I697-T729 HydrophobicContact CD1-CG2 3.69Å; V704-T729 HydrophobicContact CG1-CG2 3.89Å; V704-T729 HydrophobicContact CG2-CG2 4.09Å; I709-T729 HydrophobicContact CD1-CG2 4.29Å; A725-T729 WeakPolarHBondContact O-CB 3.46Å; A725-T729 PolarHBondContact O-N 2.92Å; A725-T729 PolarHBondContact O-OG1 3.47Å; D726-T729 PolarHBondContact O-N 3.16Å; K727-T729 PolarHBondContact O-N 2.68Å; T729-G733 PolarHBondContact O-N 2.85Å
730	L	92.2	Very high	87.4	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-48.8	174.8	178.1	63.3	0	0	0	111.2	V661 F693 W713 L716 L719 D726 K727 Y728 G733 I734	V661-L730 HydrophobicContact CG2-CD2 3.83Å; F693-L730 HydrophobicContact CE1-CB 4.45Å; F693-L730 HydrophobicContact CE2-CD1 4.27Å; F693-L730 HydrophobicContact CZ-CB 4.12Å; F693-L730 HydrophobicContact CZ-CD1 4.09Å; W713-L730 HydrophobicContact CB-CD1 4.34Å; L716-L730 HydrophobicContact CD2-CD1 3.92Å; L716-L730 HydrophobicContact CD2-CD2 4.28Å; L719-L730 HydrophobicContact CD2-CD2 4.1Å; D726-L730 WeakPolarHBondContact O-CB 3.31Å; D726-L730 PolarHBondContact O-N 2.95Å; K727-L730 PolarHBondContact O-N 2.85Å; Y728-L730 PolarHBondContact O-N 3.31Å; L730-G733 PolarHBondContact O-N 2.88Å; L730-I734 HydrophobicContact CD1-CD1 3.97Å; L730-I734 HydrophobicContact CD1-CG1 4.29Å; L730-I734 HydrophobicContact CG-CD1 4.01Å; L730-I734 VanDerWaalsContact O-CG1 3.31Å; L730-I734 WeakPolarHBondContact O-CG1 3.24Å; L730-I734 PolarHBondContact O-N 3.19Å
731	V	91.8	Very high	86.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-49.2	-179.5	172.2	0	0	0	0	110.8	K727 Y728 G733 I734 I735 V746 V748 A762	K727-V731 VanDerWaalsContact O-CG2 3.25Å; K727-V731 WeakPolarHBondContact O-CG2 3.26Å; K727-V731 PolarHBondContact O-N 3.41Å; Y728-V731 PolarHBondContact O-N 2.87Å; V731-G733 VanDerWaalsContact C-N 3.3Å; V731-G733 PolarHBondContact O-N 3.29Å; V731-I734 PolarHBondContact O-N 3.31Å; V731-I735 HydrophobicContact CG1-CD1 3.88Å; V731-I735 WeakPolarHBondContact O-CG1 3.26Å; V731-I735 PolarHBondContact O-N 3.07Å; V731-I735 VanDerWaalsContact O-N 3.1Å; V731-V746 HydrophobicContact CG1-CG1 4.21Å; V731-V748 HydrophobicContact CB-CG2 4.35Å; V731-V748 HydrophobicContact CG1-CG2 3.9Å; V731-V748 HydrophobicContact CG2-CG2 3.44Å; V731-V748 VanDerWaalsContact CG2-CG2 3.44Å; V731-A762 HydrophobicContact CG1-CB 4.36Å
732	K	90.3	Very high	85.8	Confident	74 Å²	74	47.5 Å²	47.5	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-56.9	-45.1	175.2	-179.3	176.8	178.3	179.4	0	111.3	Y728 I734 I735 E736 K761	Y728-K732 HydrophobicContact CE1-CB 4.44Å; Y728-K732 HydrophobicContact CE1-CD 3.81Å; Y728-K732 VanDerWaalsContact O-CB 3.32Å; Y728-K732 WeakPolarHBondContact O-CB 3.46Å; Y728-K732 PolarHBondContact O-N 3.4Å; K732-I734 PolarHBondContact O-N 3.47Å; K732-I735 PolarHBondContact O-N 3.25Å; K732-E736 WeakPolarHBondContact CE-OE1 3.42Å; K732-E736 HydrophobicContact CG-CG 4.45Å; K732-E736 WeakPolarHBondContact CG-OE1 3.39Å; K732-E736 WeakPolarHBondContact O-CB 3.24Å; K732-E736 WeakPolarHBondContact O-CG 2.93Å; K732-E736 PolarHBondContact O-N 2.84Å; K732-K761 HydrophobicContact CB-CG 4.38Å
733	G	90.2	Very high	85.5	Confident	2 Å²	2	48.8 Å²	48.8	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-61.8	-41.3	178.8	0	0	0	0	0	113.5	Q706 T729 L730 V731 S737	Q706-G733 PolarHBondContact NE2-O 3.06Å; T729-G733 PolarHBondContact O-N 2.85Å; L730-G733 PolarHBondContact O-N 2.88Å; V731-G733 VanDerWaalsContact C-N 3.3Å; V731-G733 PolarHBondContact O-N 3.29Å; G733-S737 WeakPolarHBondContact O-CB 3.44Å; G733-S737 PolarHBondContact O-N 3.28Å
734	I	91.2	Very high	85.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.5	-40	177.9	-62.6	165.6	0	0	0	111	W713 L730 V731 K732 S737 E744 V746	W713-I734 HydrophobicContact CB-CG1 4.08Å; W713-I734 HydrophobicContact CD2-CG1 4.03Å; W713-I734 HydrophobicContact CE3-CD1 4.44Å; W713-I734 HydrophobicContact CE3-CG1 3.9Å; W713-I734 HydrophobicContact CE3-CG2 4.09Å; W713-I734 HydrophobicContact CG-CG1 4.08Å; W713-I734 HydrophobicContact CZ3-CG2 4.13Å; L730-I734 HydrophobicContact CD1-CD1 3.97Å; L730-I734 HydrophobicContact CD1-CG1 4.29Å; L730-I734 HydrophobicContact CG-CD1 4.01Å; L730-I734 VanDerWaalsContact O-CG1 3.31Å; L730-I734 WeakPolarHBondContact O-CG1 3.24Å; L730-I734 PolarHBondContact O-N 3.19Å; V731-I734 PolarHBondContact O-N 3.31Å; K732-I734 PolarHBondContact O-N 3.47Å; I734-S737 WeakPolarHBondContact O-CB 3.45Å; I734-S737 PolarHBondContact O-N 3.28Å; I734-E744 HydrophobicContact CG2-CB 3.84Å; I734-E744 HydrophobicContact CG2-CG 4.18Å; I734-V746 HydrophobicContact CB-CG2 3.8Å; I734-V746 HydrophobicContact CG2-CG2 3.34Å
735	I	87.6	Confident	85.9	Confident	12 Å²	12	45.2 Å²	45.2	6%	0.062	22%	0.223	C	C	.	.	H	α-helix	trans	-66	-40.8	178.1	-67.3	169.1	0	0	0	111.5	V731 K732 S737 R743 V746 K761	V731-I735 HydrophobicContact CG1-CD1 3.88Å; V731-I735 WeakPolarHBondContact O-CG1 3.26Å; V731-I735 PolarHBondContact O-N 3.07Å; V731-I735 VanDerWaalsContact O-N 3.1Å; K732-I735 PolarHBondContact O-N 3.25Å; I735-S737 VanDerWaalsContact C-N 3.34Å; I735-R743 PolarHBondContact O-NH2 3.37Å; I735-V746 HydrophobicContact CD1-CB 4.37Å; I735-V746 HydrophobicContact CG1-CB 4.02Å; I735-V746 HydrophobicContact CG1-CG2 3.7Å; I735-K761 VanDerWaalsContact CD1-O 3.27Å; I735-K761 WeakPolarHBondContact CD1-O 3.32Å
736	E	86.4	Confident	86.3	Confident	42 Å²	42	42.4 Å²	42.4	20%	0.196	20%	0.2	C	C	.	.	H	α-helix	trans	-78.1	-17.4	-180	-70.4	-172.8	-158.9	0	0	113.5	K732 K738 K1035	K732-E736 WeakPolarHBondContact CE-OE1 3.42Å; K732-E736 HydrophobicContact CG-CG 4.45Å; K732-E736 WeakPolarHBondContact CG-OE1 3.39Å; K732-E736 WeakPolarHBondContact O-CB 3.24Å; K732-E736 WeakPolarHBondContact O-CG 2.93Å; K732-E736 PolarHBondContact O-N 2.84Å; E736-K738 PolarHBondContact O-N 2.74Å; E736-K1035 VanDerWaalsContact OE2-CE 3.25Å; E736-K1035 WeakPolarHBondContact OE2-CE 3.36Å; E736-K1035 IonicContact OE2-NZ 3.78Å; E736-K1035 PolarHBondContact OE2-NZ 3Å
737	S	86.5	Confident	86.5	Confident	1 Å²	1	42 Å²	42	1%	0.007	20%	0.199	C	C	.	.			trans	-56.5	134.5	179.6	173.6	0	0	0	0	112.6	D710 W713 G733 I734 I735 L739	D710-S737 WeakPolarHBondContact OD1-CB 3.2Å; D710-S737 PolarHBondContact OD1-OG 2.9Å; D710-S737 VanDerWaalsContact OD1-OG 3.05Å; W713-S737 WeakPolarHBondContact CZ2-OG 3.48Å; W713-S737 PolarHBondContact NE1-OG 3.28Å; W713-S737 VanDerWaalsContact NE1-OG 3.15Å; G733-S737 WeakPolarHBondContact O-CB 3.44Å; G733-S737 PolarHBondContact O-N 3.28Å; I734-S737 WeakPolarHBondContact O-CB 3.45Å; I734-S737 PolarHBondContact O-N 3.28Å; I735-S737 VanDerWaalsContact C-N 3.34Å; S737-L739 PolarHBondContact OG-N 3.18Å
738	K	82.3	Confident	86.8	Confident	174 Å²	174	41.6 Å²	41.6	76%	0.757	20%	0.196	S	C	*	.			trans	-108.1	5	176.8	-64.5	-177.7	-177.3	175.8	0	113.1	E736 S740	E736-K738 PolarHBondContact O-N 2.74Å; K738-S740 VanDerWaalsContact C-N 3.28Å; K738-S740 PolarHBondContact O-N 3.37Å
739	L	83.1	Confident	86.9	Confident	112 Å²	112	38 Å²	38	59%	0.586	18%	0.182	S	C	*	.	S	Bend	trans	-58.6	-41.9	-178.2	-174.1	68.4	0	0	0	111.9	W713 P714 S737	W713-L739 HydrophobicContact CZ2-CB 4.38Å; W713-L739 HydrophobicContact CZ2-CD2 4.27Å; P714-L739 HydrophobicContact CB-CD2 4.43Å; P714-L739 HydrophobicContact CG-CD2 3.52Å; S737-L739 PolarHBondContact OG-N 3.18Å
740	S	78	Confident	86.6	Confident	31 Å²	31	36.8 Å²	36.8	22%	0.217	18%	0.175	C	C	.	.	S	Bend	trans	-89.3	121.1	177.4	-175	0	0	0	0	110.1	K738 T742 R743 E744	K738-S740 VanDerWaalsContact C-N 3.28Å; K738-S740 PolarHBondContact O-N 3.37Å; S740-T742 PolarHBondContact O-N 3.47Å; S740-T742 PolarHBondContact OG-OG1 3.46Å; S740-T742 VanDerWaalsContact OG-OG1 3.05Å; S740-R743 PolarHBondContact O-N 3Å; S740-E744 WeakPolarHBondContact CB-OE1 3.29Å; S740-E744 PolarHBondContact OG-OE1 3.23Å
741	K	73.2	Confident	86.2	Confident	196 Å²	196	38 Å²	38	85%	0.852	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-29.8	178.9	-71.2	-175.6	179.5	179.3	0	112.7	R743	K741-R743 VanDerWaalsContact C-N 3.33Å
742	T	70.2	Confident	85.3	Confident	59 Å²	59	38.8 Å²	38.8	36%	0.362	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-11.6	-179.4	41.6	0	0	0	0	114	S740 R873	S740-T742 PolarHBondContact O-N 3.47Å; S740-T742 PolarHBondContact OG-OG1 3.46Å; S740-T742 VanDerWaalsContact OG-OG1 3.05Å; T742-R873 WeakPolarHBondContact O-CB 3.47Å; T742-R873 PolarHBondContact O-N 3.47Å
743	R	81.5	Confident	84.5	Confident	42 Å²	42	35.9 Å²	35.9	16%	0.158	18%	0.178	C	C	.	.			trans	54.4	147.4	-162.7	-62.2	-171.7	79.3	-168.9	-1.1	112.4	I735 S740 K741 R873 E1031	I735-R743 PolarHBondContact O-NH2 3.37Å; S740-R743 PolarHBondContact O-N 3Å; K741-R743 VanDerWaalsContact C-N 3.33Å; R743-R873 HydrophobicContact CB-CB 4.34Å; R743-R873 HydrophobicContact CB-CG 4.15Å; R743-E1031 IonicContact CZ-OE1 2.73Å; R743-E1031 IonicContact CZ-OE2 3.62Å; R743-E1031 VanDerWaalsContact NH1-CD 3.35Å; R743-E1031 IonicContact NH1-OE1 3.77Å; R743-E1031 PolarHBondContact NH1-OE1 3.48Å; R743-E1031 IonicContact NH1-OE2 3.66Å; R743-E1031 PolarHBondContact NH1-OE2 3.36Å; R743-E1031 IonicContact NH2-OE2 3.97Å; R743-E1031 PolarHBondContact NH2-OE2 3.22Å
744	E	86.4	Confident	83.9	Confident	22 Å²	22	40.6 Å²	40.6	10%	0.103	20%	0.203	C	C	.	.			trans	-83.8	153.6	-178.6	-58.3	-60.2	131.6	0	0	111	T413 W713 I734 S740 R873	T413-E744 WeakPolarHBondContact CB-OE2 3.46Å; T413-E744 WeakPolarHBondContact OG1-CA 3.5Å; T413-E744 WeakPolarHBondContact OG1-CB 3.25Å; T413-E744 PolarHBondContact OG1-OE2 3.38Å; W713-E744 HydrophobicContact CH2-CG 3.57Å; W713-E744 HydrophobicContact CZ2-CG 4.25Å; W713-E744 HydrophobicContact CZ3-CG 4.15Å; I734-E744 HydrophobicContact CG2-CB 3.84Å; I734-E744 HydrophobicContact CG2-CG 4.18Å; S740-E744 WeakPolarHBondContact CB-OE1 3.29Å; S740-E744 PolarHBondContact OG-OE1 3.23Å; E744-R873 PolarHBondContact O-NE 3.28Å; E744-R873 PolarHBondContact O-NH2 2.91Å
745	V	89.6	Confident	83.5	Confident	4 Å²	4	41 Å²	41	2%	0.024	21%	0.205	C	C	.	.			trans	-122.1	119.1	170.8	177.4	0	0	0	0	107	T408 N411 T413 A414 D763 R873	T408-V745 HydrophobicContact CG2-CG1 3.89Å; N411-V745 HydrophobicContact CB-CG2 4.15Å; N411-V745 WeakPolarHBondContact O-CB 3.44Å; T413-V745 PolarHBondContact N-O 2.79Å; T413-V745 PolarHBondContact OG1-N 3.18Å; T413-V745 PolarHBondContact OG1-O 3.43Å; A414-V745 PolarHBondContact N-O 2.89Å; V745-D763 VanDerWaalsContact CA-OD2 3.27Å; V745-D763 WeakPolarHBondContact CA-OD2 3.44Å; V745-D763 HydrophobicContact CG1-CB 3.84Å; V745-R873 HydrophobicContact CG2-CG 3.72Å
746	V	92.3	Very high	83.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.4	-168.6	-173.2	0	0	0	0	109.8	A414 V731 I734 I735 V748 D763 V764	A414-V746 HydrophobicContact CB-CG2 4.48Å; V731-V746 HydrophobicContact CG1-CG1 4.21Å; I734-V746 HydrophobicContact CB-CG2 3.8Å; I734-V746 HydrophobicContact CG2-CG2 3.34Å; I735-V746 HydrophobicContact CD1-CB 4.37Å; I735-V746 HydrophobicContact CG1-CB 4.02Å; I735-V746 HydrophobicContact CG1-CG2 3.7Å; V746-V748 HydrophobicContact CG1-CG2 4.17Å; V746-D763 PolarHBondContact N-OD2 3.09Å; V746-D763 PolarHBondContact O-N 2.77Å; V746-V764 PolarHBondContact O-N 2.92Å
747	A	94.5	Very high	83	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	141.6	165.2	0	0	0	0	0	110.1	M409 A414 I415 C416 V764 F766	M409-A747 HydrophobicContact CE-CB 3.98Å; M409-A747 HydrophobicContact SD-CB 3.84Å; A414-A747 PolarHBondContact O-N 2.91Å; I415-A747 CarbonylContact C-O 3.59Å; I415-A747 WeakPolarHBondContact CA-O 3.21Å; I415-A747 HydrophobicContact CG1-CB 4.24Å; C416-A747 PolarHBondContact N-O 3.26Å; A747-V764 VanDerWaalsContact CA-O 3.23Å; A747-V764 WeakPolarHBondContact CA-O 3.4Å; A747-V764 HydrophobicContact CB-CB 4.41Å; A747-F766 HydrophobicContact CB-CD2 4.27Å; A747-F766 HydrophobicContact CB-CE2 3.93Å
748	V	94.3	Very high	83	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.3	178.7	179.5	0	0	0	0	109	C416 V731 V746 A758 L759 A762 V764 F766	C416-V748 HydrophobicContact CB-CG2 4.22Å; C416-V748 VanDerWaalsContact O-CA 3.32Å; C416-V748 WeakPolarHBondContact O-CA 3.42Å; V731-V748 HydrophobicContact CB-CG2 4.35Å; V731-V748 HydrophobicContact CG1-CG2 3.9Å; V731-V748 HydrophobicContact CG2-CG2 3.44Å; V731-V748 VanDerWaalsContact CG2-CG2 3.44Å; V746-V748 HydrophobicContact CG1-CG2 4.17Å; V748-A758 HydrophobicContact CG1-CB 4.4Å; V748-L759 HydrophobicContact CB-CD2 4.29Å; V748-L759 HydrophobicContact CG1-CD2 4.08Å; V748-L759 WeakPolarHBondContact O-CD2 3.38Å; V748-A762 HydrophobicContact CB-CB 3.85Å; V748-A762 HydrophobicContact CG2-CB 3.49Å; V748-A762 VanDerWaalsContact CG2-CB 3.49Å; V748-V764 PolarHBondContact N-O 3.25Å; V748-F766 PolarHBondContact O-N 3.38Å
749	T	92.9	Very high	83.3	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	146	168.8	77.7	0	0	0	0	110.3	I415 C416 S417 D418 T422 F766 I792	I415-T749 HydrophobicContact CG2-CG2 4.49Å; C416-T749 PolarHBondContact O-N 3.21Å; S417-T749 VanDerWaalsContact CA-OG1 3.26Å; S417-T749 WeakPolarHBondContact CA-OG1 3.46Å; S417-T749 PolarHBondContact OG-OG1 3.27Å; D418-T749 PolarHBondContact N-OG1 3.32Å; T422-T749 HydrophobicContact CG2-CG2 4.33Å; T749-F766 WeakPolarHBondContact CA-O 3.15Å; T749-F766 HydrophobicContact CG2-CB 4.01Å; T749-I792 HydrophobicContact CG2-CD1 3.48Å; T749-I792 VanDerWaalsContact CG2-CD1 3.48Å
750	G	84.6	Confident	83.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	156.7	176.2	0	0	0	0	0	112	D755 F766 A767 M768	G750-D755 WeakPolarHBondContact CA-OD2 3.45Å; G750-F766 PolarHBondContact N-O 3.48Å; G750-A767 WeakPolarHBondContact O-CA 3.33Å; G750-M768 PolarHBondContact O-N 2.84Å
751	D	82.7	Confident	84	Confident	26 Å²	26	37.3 Å²	37.3	14%	0.139	19%	0.185	C	C	.	.			trans	-124.4	-27.7	175.9	66	-25	0	0	0	111.6	D755 M768 G772 T773	D751-D755 PolarHBondContact N-OD2 3.29Å; D751-M768 HydrophobicContact CB-CB 4.13Å; D751-M768 HydrophobicContact CB-CG 3.9Å; D751-G772 WeakPolarHBondContact O-CA 3.24Å; D751-T773 WeakPolarHBondContact O-CB 3.4Å; D751-T773 WeakPolarHBondContact O-CG2 3.34Å; D751-T773 PolarHBondContact O-N 3.02Å; D751-T773 PolarHBondContact O-OG1 3.45Å
752	G	73.1	Confident	84.8	Confident	17 Å²	17	28.5 Å²	28.5	18%	0.175	15%	0.149	C	C	.	.	S	Bend	trans	-86.5	159.4	-177.3	0	0	0	0	0	115.2	N754 D755	G752-N754 PolarHBondContact O-N 3.17Å; G752-D755 PolarHBondContact N-OD2 3.17Å; G752-D755 WeakPolarHBondContact O-CB 3.26Å; G752-D755 PolarHBondContact O-N 3.06Å
753	T	73.9	Confident	85.7	Confident	13 Å²	13	27.3 Å²	27.3	8%	0.08	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-53.9	-39.3	170	49.4	0	0	0	0	112.1	D755 G756 T773 V775	T753-D755 PolarHBondContact O-N 3.36Å; T753-D755 VanDerWaalsContact O-N 3.16Å; T753-G756 PolarHBondContact O-N 3.16Å; T753-T773 HydrophobicContact CG2-CG2 4.21Å; T753-T773 PolarHBondContact N-OG1 3.31Å; T753-V775 HydrophobicContact CG2-CB 4Å; T753-V775 HydrophobicContact CG2-CG1 4.49Å; T753-V775 HydrophobicContact CG2-CG2 3.9Å
754	N	77.8	Confident	86.2	Confident	100 Å²	100	25.3 Å²	25.3	54%	0.535	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-57.1	-25.8	175.8	-72.8	-29.2	0	0	0	113.9	P724 G752 G756	P724-N754 HydrophobicContact CB-CB 4.14Å; P724-N754 WeakPolarHBondContact CB-O 3.32Å; P724-N754 HydrophobicContact CG-CB 3.67Å; G752-N754 PolarHBondContact O-N 3.17Å; N754-G756 VanDerWaalsContact C-N 3.33Å
755	D	81.9	Confident	86.5	Confident	10 Å²	10	24.3 Å²	24.3	5%	0.053	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-83.5	-13.5	-179.8	-62.8	-36.8	0	0	0	112.6	K727 G750 D751 G752 T753 A758 L759	K727-D755 WeakPolarHBondContact CD-OD1 3.23Å; K727-D755 WeakPolarHBondContact CE-OD1 3.29Å; K727-D755 IonicContact NZ-OD1 3.96Å; K727-D755 PolarHBondContact NZ-OD1 2.95Å; K727-D755 IonicContact NZ-OD2 3.42Å; G750-D755 WeakPolarHBondContact CA-OD2 3.45Å; D751-D755 PolarHBondContact N-OD2 3.29Å; G752-D755 PolarHBondContact N-OD2 3.17Å; G752-D755 WeakPolarHBondContact O-CB 3.26Å; G752-D755 PolarHBondContact O-N 3.06Å; T753-D755 PolarHBondContact O-N 3.36Å; T753-D755 VanDerWaalsContact O-N 3.16Å; D755-A758 PolarHBondContact O-N 3.26Å; D755-L759 HydrophobicContact CB-CD1 3.98Å; D755-L759 HydrophobicContact CB-CG 4.19Å; D755-L759 WeakPolarHBondContact O-CB 3.27Å; D755-L759 WeakPolarHBondContact O-CG 3.01Å; D755-L759 PolarHBondContact O-N 3.3Å
756	G	80.3	Confident	86.7	Confident	7 Å²	7	24.1 Å²	24.1	7%	0.072	13%	0.127	C	C	.	.	H	α-helix	trans	-47.9	-52.5	-177.3	0	0	0	0	0	113.9	T753 N754 A758 L759 R760	T753-G756 PolarHBondContact O-N 3.16Å; N754-G756 VanDerWaalsContact C-N 3.33Å; G756-A758 VanDerWaalsContact C-N 3.35Å; G756-A758 PolarHBondContact O-N 2.92Å; G756-L759 PolarHBondContact O-N 3.19Å; G756-R760 WeakPolarHBondContact O-CB 3.39Å; G756-R760 PolarHBondContact O-N 2.71Å
757	P	83.5	Confident	86.6	Confident	74 Å²	74	24.1 Å²	24.1	48%	0.481	13%	0.127	S	C	.	.	H	α-helix	trans	-61.3	-38.4	177.9	-25.6	35.2	0	0	0	113.9	Y728 K761	Y728-P757 HydrophobicContact CD2-CB 4.18Å; P757-K761 VanDerWaalsContact O-CB 3.29Å; P757-K761 WeakPolarHBondContact O-CB 3.25Å; P757-K761 PolarHBondContact O-N 3.07Å; P757-K761 VanDerWaalsContact O-N 3.14Å
758	A	87.9	Confident	86.2	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-73.7	-40.4	180	0	0	0	0	0	111.8	K727 V748 D755 G756 K761 A762	K727-A758 HydrophobicContact CB-CB 4.39Å; K727-A758 HydrophobicContact CD-CB 3.98Å; K727-A758 HydrophobicContact CG-CB 3.8Å; V748-A758 HydrophobicContact CG1-CB 4.4Å; D755-A758 PolarHBondContact O-N 3.26Å; G756-A758 VanDerWaalsContact C-N 3.35Å; G756-A758 PolarHBondContact O-N 2.92Å; A758-K761 PolarHBondContact O-N 2.75Å; A758-A762 PolarHBondContact O-N 2.74Å
759	L	88.6	Confident	85.5	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-46.6	174.1	-72.4	171.3	0	0	0	111	V748 D755 G756 K761 A762 F766 A776 A779	V748-L759 HydrophobicContact CB-CD2 4.29Å; V748-L759 HydrophobicContact CG1-CD2 4.08Å; V748-L759 WeakPolarHBondContact O-CD2 3.38Å; D755-L759 HydrophobicContact CB-CD1 3.98Å; D755-L759 HydrophobicContact CB-CG 4.19Å; D755-L759 WeakPolarHBondContact O-CB 3.27Å; D755-L759 WeakPolarHBondContact O-CG 3.01Å; D755-L759 PolarHBondContact O-N 3.3Å; G756-L759 PolarHBondContact O-N 3.19Å; L759-K761 VanDerWaalsContact C-N 3.29Å; L759-K761 PolarHBondContact O-N 2.79Å; L759-A762 WeakPolarHBondContact O-CB 3.05Å; L759-A762 PolarHBondContact O-N 3.21Å; L759-F766 VanDerWaalsContact CD2-O 3.29Å; L759-F766 WeakPolarHBondContact CD2-O 3.4Å; L759-A776 HydrophobicContact CD1-CB 3.97Å; L759-A779 HydrophobicContact CB-CB 4.14Å
760	R	85.6	Confident	84.7	Confident	155 Å²	155	31 Å²	31	59%	0.585	17%	0.166	S	C	*	.	H	α-helix	trans	-69.1	-26.1	179.6	-171.1	169.6	178.9	158.4	-2.9	113.5	G756	G756-R760 WeakPolarHBondContact O-CB 3.39Å; G756-R760 PolarHBondContact O-N 2.71Å
761	K	88.6	Confident	84.2	Confident	57 Å²	57	33 Å²	33	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-85.3	-23.8	178.4	-175	56.7	177.9	176.4	0	113.1	Y728 K732 I735 P757 A758 L759	Y728-K761 HydrophobicContact CD2-CB 3.93Å; Y728-K761 HydrophobicContact CD2-CG 4.13Å; Y728-K761 HydrophobicContact CE2-CB 3.7Å; Y728-K761 HydrophobicContact CE2-CD 4.14Å; Y728-K761 HydrophobicContact CE2-CG 3.68Å; K732-K761 HydrophobicContact CB-CG 4.38Å; I735-K761 VanDerWaalsContact CD1-O 3.27Å; I735-K761 WeakPolarHBondContact CD1-O 3.32Å; P757-K761 VanDerWaalsContact O-CB 3.29Å; P757-K761 WeakPolarHBondContact O-CB 3.25Å; P757-K761 PolarHBondContact O-N 3.07Å; P757-K761 VanDerWaalsContact O-N 3.14Å; A758-K761 PolarHBondContact O-N 2.75Å; L759-K761 VanDerWaalsContact C-N 3.29Å; L759-K761 PolarHBondContact O-N 2.79Å
762	A	90.5	Very high	83.8	Confident	11 Å²	11	32.2 Å²	32.2	9%	0.091	18%	0.18	C	C	.	.	S	Bend	trans	-60.6	158.3	176.8	0	0	0	0	0	111.3	V731 V748 A758 L759	V731-A762 HydrophobicContact CG1-CB 4.36Å; V748-A762 HydrophobicContact CB-CB 3.85Å; V748-A762 HydrophobicContact CG2-CB 3.49Å; V748-A762 VanDerWaalsContact CG2-CB 3.49Å; A758-A762 PolarHBondContact O-N 2.74Å; L759-A762 WeakPolarHBondContact O-CB 3.05Å; L759-A762 PolarHBondContact O-N 3.21Å
763	D	90	Very high	84.1	Confident	33 Å²	33	32.1 Å²	32.1	18%	0.176	18%	0.177	C	C	.	.	S	Bend	trans	-71.2	-27.9	169.6	-59.5	-63.3	0	0	0	111.3	T408 V745 V746 R873	T408-D763 HydrophobicContact CG2-CB 3.89Å; V745-D763 VanDerWaalsContact CA-OD2 3.27Å; V745-D763 WeakPolarHBondContact CA-OD2 3.44Å; V745-D763 HydrophobicContact CG1-CB 3.84Å; V746-D763 PolarHBondContact N-OD2 3.09Å; V746-D763 PolarHBondContact O-N 2.77Å; D763-R873 IonicContact OD1-CZ 2.73Å; D763-R873 IonicContact OD1-NH1 2.74Å; D763-R873 IonicContact OD1-NH2 3.49Å; D763-R873 PolarHBondContact OD1-NH2 3Å; D763-R873 IonicContact OD2-CZ 3.63Å; D763-R873 IonicContact OD2-NH2 2.98Å; D763-R873 PolarHBondContact OD2-NH2 3.37Å
764	V	91.9	Very high	84.3	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	115.5	171.1	-179.1	0	0	0	0	109.4	A405 T408 M409 V746 A747 V748 F766 D781 I782	A405-V764 HydrophobicContact CB-CG1 4.21Å; A405-V764 HydrophobicContact CB-CG2 4.3Å; T408-V764 HydrophobicContact CG2-CG2 3.83Å; M409-V764 HydrophobicContact CB-CG2 4.34Å; M409-V764 HydrophobicContact SD-CB 4.39Å; M409-V764 HydrophobicContact SD-CG1 4.3Å; V746-V764 PolarHBondContact O-N 2.92Å; A747-V764 VanDerWaalsContact CA-O 3.23Å; A747-V764 WeakPolarHBondContact CA-O 3.4Å; A747-V764 HydrophobicContact CB-CB 4.41Å; V748-V764 PolarHBondContact N-O 3.25Å; V764-F766 HydrophobicContact CB-CE2 4.46Å; V764-F766 HydrophobicContact CG1-CD2 4.15Å; V764-F766 HydrophobicContact CG1-CE2 3.63Å; V764-F766 HydrophobicContact CG1-CZ 4.05Å; V764-D781 WeakPolarHBondContact CA-OD2 3.39Å; V764-I782 HydrophobicContact CG1-CD1 4.02Å; V764-I782 HydrophobicContact CG1-CG1 4.37Å
765	G	92.4	Very high	84.3	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.9	170.1	0	0	0	0	0	112.2	S780 D781 I782	G765-S780 WeakPolarHBondContact O-CB 3.2Å; G765-D781 PolarHBondContact N-OD2 2.72Å; G765-D781 PolarHBondContact O-N 3.27Å; G765-I782 PolarHBondContact O-N 3.22Å
766	F	94	Very high	84.3	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.8	171.6	-73	-89.7	0	0	0	110.9	M409 A747 V748 T749 G750 L759 V764 I782 L784 I792 A795	M409-F766 HydrophobicContact CE-CE2 3.63Å; M409-F766 HydrophobicContact CE-CZ 3.73Å; M409-F766 HydrophobicContact CG-CZ 4.12Å; M409-F766 HydrophobicContact SD-CE2 3.57Å; M409-F766 VanDerWaalsContact SD-CE2 3.57Å; M409-F766 HydrophobicContact SD-CZ 3.7Å; A747-F766 HydrophobicContact CB-CD2 4.27Å; A747-F766 HydrophobicContact CB-CE2 3.93Å; V748-F766 PolarHBondContact O-N 3.38Å; T749-F766 WeakPolarHBondContact CA-O 3.15Å; T749-F766 HydrophobicContact CG2-CB 4.01Å; G750-F766 PolarHBondContact N-O 3.48Å; L759-F766 VanDerWaalsContact CD2-O 3.29Å; L759-F766 WeakPolarHBondContact CD2-O 3.4Å; V764-F766 HydrophobicContact CB-CE2 4.46Å; V764-F766 HydrophobicContact CG1-CD2 4.15Å; V764-F766 HydrophobicContact CG1-CE2 3.63Å; V764-F766 HydrophobicContact CG1-CZ 4.05Å; F766-I782 VanDerWaalsContact CA-O 3.3Å; F766-I782 WeakPolarHBondContact CA-O 3.48Å; F766-I782 HydrophobicContact CD1-CB 3.9Å; F766-I782 HydrophobicContact CD1-CG2 3.95Å; F766-I782 HydrophobicContact CE1-CB 3.88Å; F766-I782 HydrophobicContact CE1-CD1 3.95Å; F766-I782 HydrophobicContact CE1-CG1 4.47Å; F766-I782 HydrophobicContact CE1-CG2 3.78Å; F766-I782 HydrophobicContact CZ-CD1 4.03Å; F766-L784 HydrophobicContact CD1-CD1 4.42Å; F766-L784 HydrophobicContact CD1-CD2 3.72Å; F766-L784 HydrophobicContact CD1-CG 4.09Å; F766-L784 HydrophobicContact CE1-CD2 4.08Å; F766-I792 HydrophobicContact CD1-CG1 4.11Å; F766-I792 HydrophobicContact CE1-CG1 4.15Å; F766-I792 HydrophobicContact CE1-CG2 4.47Å; F766-I792 HydrophobicContact CE2-CG2 4.19Å; F766-I792 HydrophobicContact CG-CG1 4.43Å; F766-I792 HydrophobicContact CZ-CG2 4.05Å; F766-A795 HydrophobicContact CE1-CB 4.2Å; F766-A795 HydrophobicContact CZ-CB 4.16Å
767	A	89.2	Confident	84.5	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.9	169.5	0	0	0	0	0	111.5	G750 A776 K777 S780 I782 I783 L784	G750-A767 WeakPolarHBondContact O-CA 3.33Å; A767-A776 HydrophobicContact CB-CB 4.48Å; A767-K777 HydrophobicContact CB-CB 4.35Å; A767-K777 HydrophobicContact CB-CG 3.99Å; A767-S780 VanDerWaalsContact CB-OG 3.22Å; A767-S780 WeakPolarHBondContact CB-OG 3.48Å; A767-I782 PolarHBondContact N-O 2.79Å; A767-I783 HydrophobicContact CB-CG1 4.42Å; A767-I783 WeakPolarHBondContact O-CA 3.41Å; A767-L784 PolarHBondContact O-N 2.82Å
768	M	87.6	Confident	84.2	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.3	167.6	-61	-53.9	117	0	0	109.5	T422 G750 D751 A771 G772 K777 L784 D787	T422-M768 HydrophobicContact CG2-CE 3.84Å; T422-M768 HydrophobicContact CG2-SD 4.45Å; G750-M768 PolarHBondContact O-N 2.84Å; D751-M768 HydrophobicContact CB-CB 4.13Å; D751-M768 HydrophobicContact CB-CG 3.9Å; M768-A771 HydrophobicContact CB-CB 4.33Å; M768-G772 WeakPolarHBondContact O-CA 3.48Å; M768-G772 PolarHBondContact O-N 3.03Å; M768-K777 WeakPolarHBondContact O-CE 3.09Å; M768-L784 HydrophobicContact CE-CD1 3.74Å; M768-L784 HydrophobicContact SD-CD1 4.29Å; M768-D787 WeakPolarHBondContact CA-OD1 3.49Å; M768-D787 WeakPolarHBondContact CB-OD1 3.35Å; M768-D787 HydrophobicContact SD-CB 4.01Å
769	G	79.5	Confident	83.8	Confident	18 Å²	18	32.8 Å²	32.8	19%	0.186	17%	0.172	C	C	.	.	S	Bend	trans	-78	-36.6	-179.3	0	0	0	0	0	112.8	K777 L784 D787	G769-K777 VanDerWaalsContact O-CE 3.25Å; G769-K777 WeakPolarHBondContact O-CE 3.36Å; G769-K777 PolarHBondContact O-NZ 3.33Å; G769-L784 VanDerWaalsContact CA-O 3.24Å; G769-L784 WeakPolarHBondContact CA-O 3.26Å; G769-L784 PolarHBondContact N-O 3.38Å; G769-D787 PolarHBondContact N-OD1 3.26Å
770	I	76	Confident	83.7	Confident	128 Å²	128	32.8 Å²	32.8	66%	0.656	17%	0.172	S	C	*	.	S	Bend	trans	-92.6	-55.5	-176.9	-51.6	171.7	0	0	0	110.3	D787	I770-D787 WeakPolarHBondContact CB-OD2 3.44Å; I770-D787 PolarHBondContact N-OD1 3.23Å
771	A	73.6	Confident	83.8	Confident	42 Å²	42	25.8 Å²	25.8	35%	0.347	15%	0.146	S	C	.	.	S	Bend	trans	-82.7	-18.4	-177.5	0	0	0	0	0	113.9	M768 D787	M768-A771 HydrophobicContact CB-CB 4.33Å; A771-D787 VanDerWaalsContact CB-OD2 3.26Å; A771-D787 WeakPolarHBondContact CB-OD2 3.44Å; A771-D787 PolarHBondContact N-OD2 3.41Å
772	G	74.1	Confident	83.9	Confident	8 Å²	8	23.1 Å²	23.1	8%	0.082	14%	0.135	C	C	.	.			trans	-74.6	140.8	-173.6	0	0	0	0	0	113.6	D751 M768 K777	D751-G772 WeakPolarHBondContact O-CA 3.24Å; M768-G772 WeakPolarHBondContact O-CA 3.48Å; M768-G772 PolarHBondContact O-N 3.03Å; G772-K777 WeakPolarHBondContact O-CE 3.48Å; G772-K777 PolarHBondContact O-NZ 2.74Å
773	T	78.3	Confident	83.9	Confident	16 Å²	16	23.2 Å²	23.2	10%	0.098	13%	0.133	C	C	.	.			trans	-65.3	153.5	168.3	57.8	0	0	0	0	110.8	G186 D751 T753 V775 A776 K777	G186-T773 WeakPolarHBondContact O-CB 3.04Å; D751-T773 WeakPolarHBondContact O-CB 3.4Å; D751-T773 WeakPolarHBondContact O-CG2 3.34Å; D751-T773 PolarHBondContact O-N 3.02Å; D751-T773 PolarHBondContact O-OG1 3.45Å; T753-T773 HydrophobicContact CG2-CG2 4.21Å; T753-T773 PolarHBondContact N-OG1 3.31Å; T773-V775 PolarHBondContact O-N 2.95Å; T773-A776 PolarHBondContact O-N 3.48Å; T773-A776 VanDerWaalsContact O-N 3.13Å; T773-A776 WeakPolarHBondContact OG1-CB 3.44Å; T773-A776 PolarHBondContact OG1-N 2.8Å; T773-K777 WeakPolarHBondContact O-CG 3.43Å; T773-K777 PolarHBondContact O-N 3.27Å
774	D	78.7	Confident	84	Confident	37 Å²	37	21.7 Å²	21.7	20%	0.198	13%	0.125	C	C	.	.	H	α-helix	trans	-68	-30.8	-179.3	-65.9	-29.2	0	0	0	111.4	G186 L188 A776 K777 E778	G186-D774 PolarHBondContact O-N 3.43Å; L188-D774 HydrophobicContact CB-CB 3.91Å; D774-A776 PolarHBondContact O-N 3.22Å; D774-K777 PolarHBondContact O-N 2.99Å; D774-K777 IonicContact OD1-NZ 3.53Å; D774-K777 PolarHBondContact OD1-NZ 3.39Å; D774-E778 WeakPolarHBondContact O-CB 3.36Å; D774-E778 PolarHBondContact O-N 3.01Å
775	V	77.8	Confident	83.7	Confident	18 Å²	18	23.4 Å²	23.4	11%	0.109	14%	0.136	C	C	.	.	H	α-helix	trans	-58.1	-45.7	169.9	-178.6	0	0	0	0	111.5	G186 H230 T753 T773 E778 A779	G186-V775 PolarHBondContact O-N 2.97Å; H230-V775 HydrophobicContact CB-CG2 3.78Å; T753-V775 HydrophobicContact CG2-CB 4Å; T753-V775 HydrophobicContact CG2-CG1 4.49Å; T753-V775 HydrophobicContact CG2-CG2 3.9Å; T773-V775 PolarHBondContact O-N 2.95Å; V775-E778 PolarHBondContact O-N 3.37Å; V775-A779 WeakPolarHBondContact O-CB 3.34Å; V775-A779 PolarHBondContact O-N 3.03Å
776	A	82.5	Confident	83.4	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.5	-41.8	177.7	0	0	0	0	0	111.6	L759 A767 T773 D774 E778 A779 S780	L759-A776 HydrophobicContact CD1-CB 3.97Å; A767-A776 HydrophobicContact CB-CB 4.48Å; T773-A776 PolarHBondContact O-N 3.48Å; T773-A776 VanDerWaalsContact O-N 3.13Å; T773-A776 WeakPolarHBondContact OG1-CB 3.44Å; T773-A776 PolarHBondContact OG1-N 2.8Å; D774-A776 PolarHBondContact O-N 3.22Å; A776-E778 VanDerWaalsContact C-N 3.32Å; A776-E778 PolarHBondContact O-N 3.24Å; A776-A779 PolarHBondContact O-N 3.33Å; A776-S780 WeakPolarHBondContact O-CB 3.01Å; A776-S780 PolarHBondContact O-N 3.31Å; A776-S780 VanDerWaalsContact O-N 3.08Å
777	K	83.5	Confident	83	Confident	46 Å²	46	25.8 Å²	25.8	20%	0.2	15%	0.149	C	C	.	.	H	α-helix	trans	-63.4	-36.4	176.4	-68.5	172.8	-166.2	159	0	112.5	R401 A767 M768 G769 G772 T773 D774 S780 I783	R401-K777 WeakPolarHBondContact CD-O 3.36Å; R401-K777 VanDerWaalsContact CZ-O 3.3Å; R401-K777 PolarHBondContact NH1-O 3.03Å; A767-K777 HydrophobicContact CB-CB 4.35Å; A767-K777 HydrophobicContact CB-CG 3.99Å; M768-K777 WeakPolarHBondContact O-CE 3.09Å; G769-K777 VanDerWaalsContact O-CE 3.25Å; G769-K777 WeakPolarHBondContact O-CE 3.36Å; G769-K777 PolarHBondContact O-NZ 3.33Å; G772-K777 WeakPolarHBondContact O-CE 3.48Å; G772-K777 PolarHBondContact O-NZ 2.74Å; T773-K777 WeakPolarHBondContact O-CG 3.43Å; T773-K777 PolarHBondContact O-N 3.27Å; D774-K777 PolarHBondContact O-N 2.99Å; D774-K777 IonicContact OD1-NZ 3.53Å; D774-K777 PolarHBondContact OD1-NZ 3.39Å; K777-S780 PolarHBondContact O-OG 3.06Å; K777-S780 VanDerWaalsContact O-OG 3.08Å; K777-I783 HydrophobicContact CB-CD1 3.94Å; K777-I783 HydrophobicContact CB-CG1 4.37Å; K777-I783 HydrophobicContact CG-CD1 4.16Å; K777-I783 HydrophobicContact CG-CG1 4.4Å
778	E	78.4	Confident	82.9	Confident	96 Å²	96	27.1 Å²	27.1	45%	0.449	16%	0.156	S	C	.	.	H	α-helix	trans	-75.7	-33.2	177.6	-168.9	175.9	168.1	0	0	112.6	H230 R401 D774 V775 A776 S780	H230-E778 IonicContact CE1-OE2 3.65Å; H230-E778 PolarHBondContact CE1-OE2 3.07Å; H230-E778 IonicContact NE2-OE2 3.39Å; R401-E778 VanDerWaalsContact NH1-CA 3.33Å; R401-E778 PolarHBondContact NH1-O 3.29Å; D774-E778 WeakPolarHBondContact O-CB 3.36Å; D774-E778 PolarHBondContact O-N 3.01Å; V775-E778 PolarHBondContact O-N 3.37Å; A776-E778 VanDerWaalsContact C-N 3.32Å; A776-E778 PolarHBondContact O-N 3.24Å; E778-S780 VanDerWaalsContact C-N 3.31Å
779	A	79.5	Confident	82.9	Confident	21 Å²	21	27.1 Å²	27.1	17%	0.174	16%	0.156	C	C	.	.	H	α-helix	trans	-75.1	-18.2	175.5	0	0	0	0	0	113.7	L759 V775 A776	L759-A779 HydrophobicContact CB-CB 4.14Å; V775-A779 WeakPolarHBondContact O-CB 3.34Å; V775-A779 PolarHBondContact O-N 3.03Å; A776-A779 PolarHBondContact O-N 3.33Å
780	S	86.8	Confident	83.5	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.007	16%	0.163	C	C	.	.			trans	-91.7	157.3	-175.3	76.3	0	0	0	0	114.1	R401 G765 A767 A776 K777 E778 I782	R401-S780 PolarHBondContact NH1-O 2.97Å; G765-S780 WeakPolarHBondContact O-CB 3.2Å; A767-S780 VanDerWaalsContact CB-OG 3.22Å; A767-S780 WeakPolarHBondContact CB-OG 3.48Å; A776-S780 WeakPolarHBondContact O-CB 3.01Å; A776-S780 PolarHBondContact O-N 3.31Å; A776-S780 VanDerWaalsContact O-N 3.08Å; K777-S780 PolarHBondContact O-OG 3.06Å; K777-S780 VanDerWaalsContact O-OG 3.08Å; E778-S780 VanDerWaalsContact C-N 3.31Å; S780-I782 PolarHBondContact OG-O 2.68Å
781	D	87.6	Confident	84.2	Confident	8 Å²	8	23.3 Å²	23.3	4%	0.043	13%	0.132	C	C	.	.	S	Bend	trans	-92.3	-28	175.5	-53.7	-79.6	0	0	0	112.9	R401 H402 Y404 A405 V764 G765	R401-D781 WeakPolarHBondContact CB-O 3.29Å; R401-D781 PolarHBondContact N-O 3.44Å; H402-D781 HydrophobicContact CB-CB 4.21Å; H402-D781 IonicContact CD2-OD1 2.73Å; H402-D781 PolarHBondContact CD2-OD1 3.49Å; H402-D781 IonicContact CG-OD1 3.96Å; H402-D781 PolarHBondContact N-O 2.96Å; Y404-D781 PolarHBondContact OH-OD1 3.25Å; A405-D781 HydrophobicContact CB-CB 3.45Å; A405-D781 VanDerWaalsContact CB-CB 3.45Å; V764-D781 WeakPolarHBondContact CA-OD2 3.39Å; G765-D781 PolarHBondContact N-OD2 2.72Å; G765-D781 PolarHBondContact O-N 3.27Å
782	I	90.9	Very high	85.2	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.3	179.7	-56.5	179	0	0	0	109.2	M393 N398 L399 V400 A405 V764 G765 F766 A767 S780	M393-I782 HydrophobicContact CE-CD1 4.47Å; N398-I782 HydrophobicContact CB-CG2 4.36Å; L399-I782 CarbonylContact O-C 3.56Å; L399-I782 WeakPolarHBondContact O-CA 3.38Å; V400-I782 HydrophobicContact CG1-CG1 4.43Å; V400-I782 HydrophobicContact CG2-CD1 4.46Å; V400-I782 HydrophobicContact CG2-CG1 4.33Å; A405-I782 HydrophobicContact CB-CD1 4.21Å; A405-I782 HydrophobicContact CB-CG1 4.09Å; V764-I782 HydrophobicContact CG1-CD1 4.02Å; V764-I782 HydrophobicContact CG1-CG1 4.37Å; G765-I782 PolarHBondContact O-N 3.22Å; F766-I782 VanDerWaalsContact CA-O 3.3Å; F766-I782 WeakPolarHBondContact CA-O 3.48Å; F766-I782 HydrophobicContact CD1-CB 3.9Å; F766-I782 HydrophobicContact CD1-CG2 3.95Å; F766-I782 HydrophobicContact CE1-CB 3.88Å; F766-I782 HydrophobicContact CE1-CD1 3.95Å; F766-I782 HydrophobicContact CE1-CG1 4.47Å; F766-I782 HydrophobicContact CE1-CG2 3.78Å; F766-I782 HydrophobicContact CZ-CD1 4.03Å; A767-I782 PolarHBondContact N-O 2.79Å; S780-I782 PolarHBondContact OG-O 2.68Å
783	I	89.8	Confident	86.1	Confident	13 Å²	13	21.4 Å²	21.4	7%	0.067	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.5	172.5	-60.2	170.6	0	0	0	108.6	L399 R401 A767 K777	L399-I783 HydrophobicContact CB-CB 4.24Å; L399-I783 HydrophobicContact CD2-CD1 4.38Å; L399-I783 PolarHBondContact N-O 3.02Å; L399-I783 PolarHBondContact O-N 2.78Å; R401-I783 HydrophobicContact CG-CD1 4.19Å; R401-I783 HydrophobicContact CG-CG1 4.42Å; A767-I783 HydrophobicContact CB-CG1 4.42Å; A767-I783 WeakPolarHBondContact O-CA 3.41Å; K777-I783 HydrophobicContact CB-CD1 3.94Å; K777-I783 HydrophobicContact CB-CG1 4.37Å; K777-I783 HydrophobicContact CG-CD1 4.16Å; K777-I783 HydrophobicContact CG-CG1 4.4Å
784	L	91.2	Very high	86.7	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	107.9	173.5	-56	-177.3	0	0	0	108.9	N398 F766 A767 M768 G769 D786 D787 I792	N398-L784 WeakPolarHBondContact OD1-CD2 2.91Å; F766-L784 HydrophobicContact CD1-CD1 4.42Å; F766-L784 HydrophobicContact CD1-CD2 3.72Å; F766-L784 HydrophobicContact CD1-CG 4.09Å; F766-L784 HydrophobicContact CE1-CD2 4.08Å; A767-L784 PolarHBondContact O-N 2.82Å; M768-L784 HydrophobicContact CE-CD1 3.74Å; M768-L784 HydrophobicContact SD-CD1 4.29Å; G769-L784 VanDerWaalsContact CA-O 3.24Å; G769-L784 WeakPolarHBondContact CA-O 3.26Å; G769-L784 PolarHBondContact N-O 3.38Å; L784-D786 PolarHBondContact O-N 3.02Å; L784-D787 PolarHBondContact O-N 3.41Å; L784-I792 HydrophobicContact CD1-CD1 4.01Å; L784-I792 HydrophobicContact CD1-CG1 3.69Å; L784-I792 HydrophobicContact CD2-CG1 4.29Å
785	T	86.7	Confident	87.4	Confident	38 Å²	38	21.9 Å²	21.9	23%	0.233	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.3	-174.1	61.3	0	0	0	0	113.1	N397 L399	N397-T785 WeakPolarHBondContact CA-OG1 3.37Å; N397-T785 VanDerWaalsContact CB-OG1 3.26Å; N397-T785 WeakPolarHBondContact CB-OG1 3.43Å; N397-T785 PolarHBondContact O-N 3.43Å; N397-T785 PolarHBondContact O-OG1 3.18Å; L399-T785 HydrophobicContact CB-CG2 4.05Å
786	D	85.6	Confident	88.2	Confident	44 Å²	44	21 Å²	21	24%	0.235	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	3.5	-178.9	65.2	-5.5	0	0	0	114.4	N397 L784 N788 S791	N397-D786 HydrophobicContact CB-CB 4Å; N397-D786 VanDerWaalsContact CB-CG 3.45Å; N397-D786 WeakPolarHBondContact CB-OD2 3.23Å; N397-D786 PolarHBondContact ND2-OD2 3.34Å; L784-D786 PolarHBondContact O-N 3.02Å; D786-N788 HydrophobicContact CB-CB 4.43Å; D786-N788 VanDerWaalsContact CG-CB 3.5Å; D786-N788 PolarHBondContact O-N 3.38Å; D786-N788 WeakPolarHBondContact OD1-CB 3.31Å; D786-N788 PolarHBondContact OD1-N 2.91Å; D786-N788 VanDerWaalsContact OD1-N 3.12Å; D786-S791 PolarHBondContact OD1-OG 2.97Å; D786-S791 PolarHBondContact OD2-OG 3.49Å; D786-S791 VanDerWaalsContact OD2-OG 3.1Å
787	D	85.6	Confident	88.7	Confident	6 Å²	6	22.5 Å²	22.5	3%	0.032	12%	0.115	C	C	.	.			trans	51	25.8	-174	-66.3	3.2	0	0	0	114.1	R641 M768 G769 I770 A771 L784	R641-D787 PolarHBondContact NH2-O 3.14Å; M768-D787 WeakPolarHBondContact CA-OD1 3.49Å; M768-D787 WeakPolarHBondContact CB-OD1 3.35Å; M768-D787 HydrophobicContact SD-CB 4.01Å; G769-D787 PolarHBondContact N-OD1 3.26Å; I770-D787 WeakPolarHBondContact CB-OD2 3.44Å; I770-D787 PolarHBondContact N-OD1 3.23Å; A771-D787 VanDerWaalsContact CB-OD2 3.26Å; A771-D787 WeakPolarHBondContact CB-OD2 3.44Å; A771-D787 PolarHBondContact N-OD2 3.41Å; L784-D787 PolarHBondContact O-N 3.41Å
788	N	86.7	Confident	89.1	Confident	28 Å²	28	20.8 Å²	20.8	15%	0.15	11%	0.108	C	C	.	.			trans	-98.5	131.5	-174.4	-159.8	-41.6	0	0	0	112.3	E643 D786 I790 S791	E643-N788 WeakPolarHBondContact CG-OD1 3.4Å; E643-N788 PolarHBondContact OE1-ND2 3.29Å; E643-N788 PolarHBondContact OE1-OD1 3.15Å; D786-N788 HydrophobicContact CB-CB 4.43Å; D786-N788 VanDerWaalsContact CG-CB 3.5Å; D786-N788 PolarHBondContact O-N 3.38Å; D786-N788 WeakPolarHBondContact OD1-CB 3.31Å; D786-N788 PolarHBondContact OD1-N 2.91Å; D786-N788 VanDerWaalsContact OD1-N 3.12Å; N788-I790 VanDerWaalsContact C-N 3.26Å; N788-I790 PolarHBondContact O-N 2.83Å; N788-I790 PolarHBondContact OD1-N 3.42Å; N788-S791 VanDerWaalsContact O-CB 3.24Å; N788-S791 WeakPolarHBondContact O-CB 2.96Å; N788-S791 PolarHBondContact O-N 3.22Å; N788-S791 VanDerWaalsContact O-N 3.09Å; N788-S791 PolarHBondContact O-OG 3.45Å
789	F	89	Confident	89.7	Confident	1 Å²	1	16.2 Å²	16.2	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-64.3	-26.3	175.3	-162.9	-89.1	0	0	0	113.4	I415 T422 L423 V644 A647 I648 V658 S791 I792	I415-F789 HydrophobicContact CG2-CE2 4.46Å; I415-F789 HydrophobicContact CG2-CZ 4.43Å; T422-F789 HydrophobicContact CG2-CD2 4.16Å; L423-F789 HydrophobicContact CD2-CD2 3.7Å; L423-F789 HydrophobicContact CD2-CE2 3.85Å; L423-F789 HydrophobicContact CD2-CG 4.33Å; V644-F789 HydrophobicContact CG2-CB 3.79Å; V644-F789 HydrophobicContact CG2-CG 4.45Å; A647-F789 HydrophobicContact CB-CD1 3.71Å; A647-F789 HydrophobicContact CB-CE1 4.35Å; I648-F789 HydrophobicContact CG1-CE1 3.96Å; I648-F789 HydrophobicContact CG1-CZ 4.35Å; V658-F789 HydrophobicContact CG1-CZ 4.23Å; V658-F789 HydrophobicContact CG2-CZ 4.33Å; F789-S791 PolarHBondContact O-N 2.94Å; F789-I792 HydrophobicContact CD2-CD1 3.75Å; F789-I792 HydrophobicContact CE2-CD1 3.91Å; F789-I792 HydrophobicContact CG-CD1 4.34Å; F789-I792 WeakPolarHBondContact O-CB 3.43Å; F789-I792 PolarHBondContact O-N 3.37Å; F789-I792 VanDerWaalsContact O-N 3.16Å
790	I	90.8	Very high	90.3	Very high	64 Å²	64	15.3 Å²	15.3	33%	0.328	8%	0.078	S	C	.	.	H	α-helix	trans	-57.7	-36.5	172.6	-70.9	172.9	0	0	0	110.8	E643 A647 N788 I792 V793 K794	E643-I790 HydrophobicContact CB-CD1 3.5Å; E643-I790 VanDerWaalsContact CB-CD1 3.5Å; E643-I790 HydrophobicContact CB-CG1 4.06Å; E643-I790 HydrophobicContact CG-CD1 3.84Å; E643-I790 HydrophobicContact CG-CG1 4.1Å; A647-I790 HydrophobicContact CB-CG1 4.15Å; N788-I790 VanDerWaalsContact C-N 3.26Å; N788-I790 PolarHBondContact O-N 2.83Å; N788-I790 PolarHBondContact OD1-N 3.42Å; I790-I792 PolarHBondContact O-N 3.31Å; I790-V793 WeakPolarHBondContact O-CA 3.19Å; I790-V793 WeakPolarHBondContact O-CB 3.39Å; I790-V793 PolarHBondContact O-N 3.47Å; I790-K794 HydrophobicContact CG2-CG 4.28Å; I790-K794 PolarHBondContact O-N 3Å
791	S	92.1	Very high	90.5	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.007	8%	0.079	C	C	.	.	H	α-helix	trans	-59.8	-33.5	-178.9	-59.1	0	0	0	0	111.2	N398 D786 N788 F789 K794 A795	N398-S791 PolarHBondContact ND2-O 3.07Å; N398-S791 PolarHBondContact OD1-O 2.93Å; N398-S791 VanDerWaalsContact OD1-O 3.13Å; D786-S791 PolarHBondContact OD1-OG 2.97Å; D786-S791 PolarHBondContact OD2-OG 3.49Å; D786-S791 VanDerWaalsContact OD2-OG 3.1Å; N788-S791 VanDerWaalsContact O-CB 3.24Å; N788-S791 WeakPolarHBondContact O-CB 2.96Å; N788-S791 PolarHBondContact O-N 3.22Å; N788-S791 VanDerWaalsContact O-N 3.09Å; N788-S791 PolarHBondContact O-OG 3.45Å; F789-S791 PolarHBondContact O-N 2.94Å; S791-K794 WeakPolarHBondContact O-CB 3.29Å; S791-K794 PolarHBondContact O-N 3.27Å; S791-A795 PolarHBondContact O-N 3.17Å
792	I	93.2	Very high	90.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.5	-42.1	172.6	-55.9	174.2	0	0	0	111.3	M409 I415 T749 F766 L784 F789 I790 K794 A795 V796	M409-I792 HydrophobicContact CE-CG2 3.53Å; I415-I792 HydrophobicContact CD1-CG2 3.96Å; T749-I792 HydrophobicContact CG2-CD1 3.48Å; T749-I792 VanDerWaalsContact CG2-CD1 3.48Å; F766-I792 HydrophobicContact CD1-CG1 4.11Å; F766-I792 HydrophobicContact CE1-CG1 4.15Å; F766-I792 HydrophobicContact CE1-CG2 4.47Å; F766-I792 HydrophobicContact CE2-CG2 4.19Å; F766-I792 HydrophobicContact CG-CG1 4.43Å; F766-I792 HydrophobicContact CZ-CG2 4.05Å; L784-I792 HydrophobicContact CD1-CD1 4.01Å; L784-I792 HydrophobicContact CD1-CG1 3.69Å; L784-I792 HydrophobicContact CD2-CG1 4.29Å; F789-I792 HydrophobicContact CD2-CD1 3.75Å; F789-I792 HydrophobicContact CE2-CD1 3.91Å; F789-I792 HydrophobicContact CG-CD1 4.34Å; F789-I792 WeakPolarHBondContact O-CB 3.43Å; F789-I792 PolarHBondContact O-N 3.37Å; F789-I792 VanDerWaalsContact O-N 3.16Å; I790-I792 PolarHBondContact O-N 3.31Å; I792-K794 VanDerWaalsContact C-N 3.32Å; I792-K794 PolarHBondContact O-N 2.92Å; I792-A795 WeakPolarHBondContact O-CB 3.31Å; I792-A795 PolarHBondContact O-N 2.98Å; I792-V796 WeakPolarHBondContact O-CG2 3.26Å; I792-V796 PolarHBondContact O-N 3.12Å
793	V	92.9	Very high	90.3	Very high	11 Å²	11	15.6 Å²	15.6	7%	0.067	8%	0.079	C	C	.	.	H	α-helix	trans	-62.1	-41.9	175.6	-175.1	0	0	0	0	110.7	A647 N650 I790 A795 V796 M797 L866	A647-V793 HydrophobicContact CB-CG2 3.9Å; N650-V793 HydrophobicContact CB-CG1 4.31Å; I790-V793 WeakPolarHBondContact O-CA 3.19Å; I790-V793 WeakPolarHBondContact O-CB 3.39Å; I790-V793 PolarHBondContact O-N 3.47Å; V793-A795 VanDerWaalsContact C-N 3.34Å; V793-V796 WeakPolarHBondContact O-CB 3.46Å; V793-V796 PolarHBondContact O-N 2.86Å; V793-M797 PolarHBondContact O-N 2.99Å; V793-L866 HydrophobicContact CG1-CD1 3.91Å; V793-L866 HydrophobicContact CG1-CD2 4.2Å
794	K	92.5	Very high	90.2	Very high	62 Å²	62	15.3 Å²	15.3	27%	0.27	8%	0.078	S	C	.	.	H	α-helix	trans	-62.7	-40.6	174	-67.2	-175.3	176.6	-173.3	0	111.5	D396 I790 S791 I792 V796 M797 W798	D396-K794 HydrophobicContact CB-CD 3.93Å; D396-K794 IonicContact OD1-NZ 3.71Å; D396-K794 PolarHBondContact OD1-NZ 3.46Å; I790-K794 HydrophobicContact CG2-CG 4.28Å; I790-K794 PolarHBondContact O-N 3Å; S791-K794 WeakPolarHBondContact O-CB 3.29Å; S791-K794 PolarHBondContact O-N 3.27Å; I792-K794 VanDerWaalsContact C-N 3.32Å; I792-K794 PolarHBondContact O-N 2.92Å; K794-V796 PolarHBondContact O-N 3.16Å; K794-M797 WeakPolarHBondContact O-CB 3.48Å; K794-M797 PolarHBondContact O-N 3.48Å; K794-M797 VanDerWaalsContact O-N 3.14Å; K794-W798 VanDerWaalsContact O-CD1 3.25Å; K794-W798 PolarHBondContact O-N 3.2Å
795	A	93.1	Very high	90.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-41.3	176	0	0	0	0	0	112.4	M393 M409 F766 S791 I792 V793 M797 W798 G799	M393-A795 HydrophobicContact CE-CB 3.67Å; M409-A795 HydrophobicContact CG-CB 4.17Å; F766-A795 HydrophobicContact CE1-CB 4.2Å; F766-A795 HydrophobicContact CZ-CB 4.16Å; S791-A795 PolarHBondContact O-N 3.17Å; I792-A795 WeakPolarHBondContact O-CB 3.31Å; I792-A795 PolarHBondContact O-N 2.98Å; V793-A795 VanDerWaalsContact C-N 3.34Å; A795-M797 VanDerWaalsContact C-N 3.33Å; A795-M797 PolarHBondContact O-N 2.98Å; A795-W798 PolarHBondContact O-N 3.11Å; A795-G799 PolarHBondContact O-N 3.23Å
796	V	93.7	Very high	90.1	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.006	7%	0.067	C	C	.	.	H	α-helix	trans	-59.4	-45.1	172	173.6	0	0	0	0	111.2	M409 I656 I792 V793 K794 G799 R800 L866	M409-V796 HydrophobicContact CE-CG2 3.34Å; M409-V796 HydrophobicContact CG-CG2 4Å; M409-V796 HydrophobicContact SD-CG2 4.35Å; I656-V796 HydrophobicContact CD1-CB 4.41Å; I656-V796 HydrophobicContact CD1-CG1 3.73Å; I656-V796 HydrophobicContact CD1-CG2 3.8Å; I792-V796 WeakPolarHBondContact O-CG2 3.26Å; I792-V796 PolarHBondContact O-N 3.12Å; V793-V796 WeakPolarHBondContact O-CB 3.46Å; V793-V796 PolarHBondContact O-N 2.86Å; K794-V796 PolarHBondContact O-N 3.16Å; V796-G799 PolarHBondContact O-N 3.09Å; V796-R800 HydrophobicContact CG1-CG 4.47Å; V796-R800 WeakPolarHBondContact O-CB 3.46Å; V796-R800 WeakPolarHBondContact O-CG 3.47Å; V796-R800 PolarHBondContact O-N 3.25Å; V796-L866 HydrophobicContact CG1-CD2 4.34Å
797	M	92.7	Very high	90.3	Very high	30 Å²	30	11.8 Å²	11.8	15%	0.148	6%	0.058	C	C	.	.	H	α-helix	trans	-63	-44.2	-179.5	-170.8	-176.1	54.7	0	0	111.5	V793 K794 A795 R800 N801 P861 L865 L866	V793-M797 PolarHBondContact O-N 2.99Å; K794-M797 WeakPolarHBondContact O-CB 3.48Å; K794-M797 PolarHBondContact O-N 3.48Å; K794-M797 VanDerWaalsContact O-N 3.14Å; A795-M797 VanDerWaalsContact C-N 3.33Å; A795-M797 PolarHBondContact O-N 2.98Å; M797-R800 PolarHBondContact O-N 2.94Å; M797-N801 WeakPolarHBondContact O-CB 3.46Å; M797-N801 PolarHBondContact O-N 3.42Å; M797-P861 HydrophobicContact CE-CB 3.99Å; M797-P861 HydrophobicContact CE-CG 3.92Å; M797-P861 HydrophobicContact CG-CB 3.67Å; M797-P861 HydrophobicContact SD-CB 3.97Å; M797-L865 HydrophobicContact CG-CD1 4.43Å; M797-L866 HydrophobicContact CB-CD2 4.43Å
798	W	92.7	Very high	90.5	Very high	10 Å²	10	12.4 Å²	12.4	4%	0.038	6%	0.061	C	C	.	.	H	α-helix	trans	-63.5	-44.8	174.3	-83	107.6	0	0	0	112.3	K392 M393 D396 K794 A795 R800 N801 V802 P861	K392-W798 HydrophobicContact CB-CH2 3.31Å; K392-W798 HydrophobicContact CB-CZ2 3.42Å; K392-W798 VanDerWaalsContact CB-CZ2 3.42Å; K392-W798 HydrophobicContact CB-CZ3 4Å; K392-W798 HydrophobicContact CD-CH2 4.46Å; K392-W798 HydrophobicContact CG-CH2 3.74Å; K392-W798 HydrophobicContact CG-CZ2 4.24Å; K392-W798 HydrophobicContact CG-CZ3 4.46Å; M393-W798 HydrophobicContact CG-CB 3.78Å; M393-W798 HydrophobicContact CG-CD2 3.95Å; M393-W798 HydrophobicContact CG-CG 3.47Å; M393-W798 VanDerWaalsContact CG-CG 3.47Å; M393-W798 HydrophobicContact SD-CB 3.65Å; M393-W798 HydrophobicContact SD-CG 4.06Å; D396-W798 PolarHBondContact OD2-NE1 3.22Å; K794-W798 VanDerWaalsContact O-CD1 3.25Å; K794-W798 PolarHBondContact O-N 3.2Å; A795-W798 PolarHBondContact O-N 3.11Å; W798-R800 VanDerWaalsContact C-N 3.34Å; W798-R800 PolarHBondContact O-N 3.45Å; W798-N801 WeakPolarHBondContact O-CB 3.32Å; W798-N801 PolarHBondContact O-N 3.08Å; W798-N801 VanDerWaalsContact O-N 3.09Å; W798-V802 WeakPolarHBondContact O-CG2 3.04Å; W798-V802 PolarHBondContact O-N 3.42Å; W798-P861 HydrophobicContact CD2-CG 3.96Å; W798-P861 HydrophobicContact CE3-CG 4.19Å; W798-P861 VanDerWaalsContact CH2-CD 3.47Å; W798-P861 HydrophobicContact CH2-CG 4.03Å; W798-P861 HydrophobicContact CZ2-CG 3.8Å; W798-P861 HydrophobicContact CZ3-CG 4.23Å
799	G	91	Very high	90.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.7	-41	177.2	0	0	0	0	0	113.2	C406 G410 A795 V796 N801 V802 Y803	C406-G799 WeakPolarHBondContact O-CA 3.47Å; G410-G799 VanDerWaalsContact CA-C 3.49Å; A795-G799 PolarHBondContact O-N 3.23Å; V796-G799 PolarHBondContact O-N 3.09Å; G799-N801 VanDerWaalsContact C-N 3.3Å; G799-N801 PolarHBondContact O-N 3.07Å; G799-V802 PolarHBondContact O-N 3.45Å; G799-Y803 PolarHBondContact O-N 3.43Å
800	R	90.8	Very high	90.6	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.008	5%	0.054	C	C	.	.	H	α-helix	trans	-64.2	-35.3	173.5	-76.2	-178.3	-179.8	-167	1.5	112.2	G410 A654 V796 M797 W798 D804 L865 R868	G410-R800 VanDerWaalsContact O-CG 3.3Å; G410-R800 WeakPolarHBondContact O-CG 3.48Å; G410-R800 PolarHBondContact O-NE 2.85Å; A654-R800 PolarHBondContact O-NH2 2.83Å; V796-R800 HydrophobicContact CG1-CG 4.47Å; V796-R800 WeakPolarHBondContact O-CB 3.46Å; V796-R800 WeakPolarHBondContact O-CG 3.47Å; V796-R800 PolarHBondContact O-N 3.25Å; M797-R800 PolarHBondContact O-N 2.94Å; W798-R800 VanDerWaalsContact C-N 3.34Å; W798-R800 PolarHBondContact O-N 3.45Å; R800-D804 PolarHBondContact O-N 3.03Å; R800-L865 HydrophobicContact CB-CB 4.3Å; R800-L865 HydrophobicContact CB-CD1 4.41Å; R800-L865 VanDerWaalsContact CD-O 3.26Å; R800-L865 WeakPolarHBondContact CD-O 3.41Å; R800-L865 PolarHBondContact NH1-O 2.92Å; R800-R868 PolarHBondContact NH1-O 3.45Å; R800-R868 PolarHBondContact O-NH2 2.99Å
801	N	91	Very high	90.7	Very high	4 Å²	4	8.2 Å²	8.2	2%	0.021	4%	0.039	C	C	.	.	H	α-helix	trans	-68.9	-43.5	176.6	-174.6	64	0	0	0	112	M797 W798 G799 Y803 D804 S805 E859 P861 L865	M797-N801 WeakPolarHBondContact O-CB 3.46Å; M797-N801 PolarHBondContact O-N 3.42Å; W798-N801 WeakPolarHBondContact O-CB 3.32Å; W798-N801 PolarHBondContact O-N 3.08Å; W798-N801 VanDerWaalsContact O-N 3.09Å; G799-N801 VanDerWaalsContact C-N 3.3Å; G799-N801 PolarHBondContact O-N 3.07Å; N801-Y803 VanDerWaalsContact C-N 3.33Å; N801-Y803 PolarHBondContact O-N 3.06Å; N801-D804 PolarHBondContact O-N 3.01Å; N801-S805 WeakPolarHBondContact O-CB 3.46Å; N801-S805 PolarHBondContact O-N 2.85Å; N801-S805 PolarHBondContact O-OG 3.03Å; N801-E859 PolarHBondContact ND2-O 3.07Å; N801-P861 HydrophobicContact CB-CB 3.96Å; N801-L865 HydrophobicContact CB-CD1 3.94Å
802	V	88.8	Confident	90.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-56.7	-47.4	175.6	170.8	0	0	0	0	110.9	L386 S389 E407 W798 G799 D804 S805 I806	L386-V802 HydrophobicContact CD2-CG1 3.87Å; L386-V802 HydrophobicContact CD2-CG2 4.43Å; L386-V802 HydrophobicContact CG-CG1 4.28Å; S389-V802 VanDerWaalsContact OG-CG2 3.27Å; S389-V802 WeakPolarHBondContact OG-CG2 3.47Å; E407-V802 HydrophobicContact CB-CG1 4.48Å; W798-V802 WeakPolarHBondContact O-CG2 3.04Å; W798-V802 PolarHBondContact O-N 3.42Å; G799-V802 PolarHBondContact O-N 3.45Å; V802-D804 PolarHBondContact O-N 2.93Å; V802-S805 PolarHBondContact O-N 3.22Å; V802-I806 HydrophobicContact CG1-CD1 3.75Å; V802-I806 WeakPolarHBondContact O-CD1 3.17Å; V802-I806 VanDerWaalsContact O-CG1 3.31Å; V802-I806 WeakPolarHBondContact O-CG1 3.43Å; V802-I806 PolarHBondContact O-N 3.44Å
803	Y	87.2	Confident	90.6	Very high	12 Å²	12	8.3 Å²	8.3	5%	0.047	4%	0.039	C	C	.	.	H	α-helix	trans	-59.4	-45.8	177.8	-172.9	-84.4	0	0	0	112	L309 G799 N801 I806 A807 Y871	L309-Y803 HydrophobicContact CD1-CD2 4.04Å; L309-Y803 HydrophobicContact CD1-CE2 3.88Å; G799-Y803 PolarHBondContact O-N 3.43Å; N801-Y803 VanDerWaalsContact C-N 3.33Å; N801-Y803 PolarHBondContact O-N 3.06Å; Y803-I806 PolarHBondContact O-N 3.41Å; Y803-A807 WeakPolarHBondContact O-CB 3.5Å; Y803-A807 PolarHBondContact O-N 3.2Å; Y803-Y871 AromaticContact CD1-CD2 3.63Å; Y803-Y871 HydrophobicContact CD1-CD2 3.63Å; Y803-Y871 AromaticContact CD1-CE2 3.23Å; Y803-Y871 HydrophobicContact CD1-CE2 3.23Å; Y803-Y871 HydrophobicContact CD1-CG 4.41Å; Y803-Y871 AromaticContact CD1-CZ 3.74Å; Y803-Y871 HydrophobicContact CE1-CD1 4.26Å; Y803-Y871 AromaticContact CE1-CD2 3.76Å; Y803-Y871 HydrophobicContact CE1-CD2 3.76Å; Y803-Y871 HydrophobicContact CE1-CE1 4.14Å; Y803-Y871 AromaticContact CE1-CE2 3.6Å; Y803-Y871 HydrophobicContact CE1-CE2 3.6Å; Y803-Y871 HydrophobicContact CE1-CG 4.08Å; Y803-Y871 AromaticContact CE1-CZ 3.79Å; Y803-Y871 HydrophobicContact CG-CD2 4.05Å; Y803-Y871 AromaticContact CG-CE2 3.94Å; Y803-Y871 HydrophobicContact CG-CE2 3.94Å
804	D	88	Confident	90.4	Very high	7 Å²	7	9.1 Å²	9.1	4%	0.037	4%	0.043	C	C	.	.	H	α-helix	trans	-66.8	-41.8	179.3	-78.2	12.7	0	0	0	112.3	R800 N801 V802 I806 A807 K808 L865 R868 Y871 H946	R800-D804 PolarHBondContact O-N 3.03Å; N801-D804 PolarHBondContact O-N 3.01Å; V802-D804 PolarHBondContact O-N 2.93Å; D804-I806 VanDerWaalsContact C-N 3.31Å; D804-I806 PolarHBondContact O-N 3.47Å; D804-A807 PolarHBondContact O-N 2.99Å; D804-K808 VanDerWaalsContact O-CG 3.3Å; D804-K808 WeakPolarHBondContact O-CG 3.3Å; D804-K808 PolarHBondContact O-N 2.89Å; D804-L865 VanDerWaalsContact OD2-CD2 3.32Å; D804-L865 WeakPolarHBondContact OD2-CD2 3.37Å; D804-R868 IonicContact OD1-CZ 3.98Å; D804-R868 IonicContact OD1-NH1 3.12Å; D804-R868 PolarHBondContact OD1-NH1 3.06Å; D804-R868 IonicContact OD1-NH2 3.11Å; D804-R868 PolarHBondContact OD1-NH2 3.05Å; D804-R868 IonicContact OD2-CZ 3.18Å; D804-R868 VanDerWaalsContact OD2-CZ 3.29Å; D804-R868 IonicContact OD2-NH1 2.62Å; D804-R868 PolarHBondContact OD2-NH1 3Å; D804-R868 IonicContact OD2-NH2 2.64Å; D804-R868 PolarHBondContact OD2-NH2 3.27Å; D804-Y871 PolarHBondContact OD1-OH 2.92Å; D804-H946 IonicContact OD1-CE1 2.65Å; D804-H946 IonicContact OD2-CE1 3.52Å
805	S	88.5	Confident	90.4	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-59.2	-42.5	176.3	-77.6	0	0	0	0	111.9	N801 V802 K808 F809	N801-S805 WeakPolarHBondContact O-CB 3.46Å; N801-S805 PolarHBondContact O-N 2.85Å; N801-S805 PolarHBondContact O-OG 3.03Å; V802-S805 PolarHBondContact O-N 3.22Å; S805-K808 PolarHBondContact O-N 2.79Å; S805-F809 PolarHBondContact O-N 2.92Å; S805-F809 VanDerWaalsContact O-N 3.14Å
806	I	87	Confident	90.3	Very high	3 Å²	3	6.2 Å²	6.2	2%	0.015	3%	0.03	C	C	.	.	H	α-helix	trans	-67	-40.7	176.4	-66.8	164.5	0	0	0	110.6	L309 L313 V382 V802 Y803 D804 F809 L810	L309-I806 HydrophobicContact CD2-CB 4.43Å; L309-I806 HydrophobicContact CD2-CD1 3.27Å; L309-I806 HydrophobicContact CD2-CG1 4.41Å; L309-I806 HydrophobicContact CD2-CG2 4.22Å; L313-I806 HydrophobicContact CD1-CG2 4.29Å; L313-I806 HydrophobicContact CD2-CG2 4.44Å; V382-I806 HydrophobicContact CB-CD1 4.31Å; V382-I806 HydrophobicContact CG1-CD1 4.21Å; V382-I806 HydrophobicContact CG2-CD1 4.04Å; V382-I806 HydrophobicContact CG2-CG1 4.39Å; V382-I806 HydrophobicContact CG2-CG2 4.39Å; V802-I806 HydrophobicContact CG1-CD1 3.75Å; V802-I806 WeakPolarHBondContact O-CD1 3.17Å; V802-I806 VanDerWaalsContact O-CG1 3.31Å; V802-I806 WeakPolarHBondContact O-CG1 3.43Å; V802-I806 PolarHBondContact O-N 3.44Å; Y803-I806 PolarHBondContact O-N 3.41Å; D804-I806 VanDerWaalsContact C-N 3.31Å; D804-I806 PolarHBondContact O-N 3.47Å; I806-F809 PolarHBondContact O-N 3Å; I806-L810 VanDerWaalsContact O-CB 3.24Å; I806-L810 WeakPolarHBondContact O-CB 3.12Å; I806-L810 PolarHBondContact O-N 3.45Å
807	A	88.4	Confident	90.2	Very high	5 Å²	5	6.6 Å²	6.6	4%	0.041	3%	0.032	C	C	.	.	H	α-helix	trans	-67.3	-35	177	0	0	0	0	0	112.9	Y803 D804 L810 Q811 M882 I945	Y803-A807 WeakPolarHBondContact O-CB 3.5Å; Y803-A807 PolarHBondContact O-N 3.2Å; D804-A807 PolarHBondContact O-N 2.99Å; A807-L810 PolarHBondContact O-N 2.73Å; A807-Q811 PolarHBondContact O-N 3.35Å; A807-M882 WeakPolarHBondContact O-CE 3.35Å; A807-I945 HydrophobicContact CB-CD1 3.4Å; A807-I945 VanDerWaalsContact CB-CD1 3.4Å
808	K	89.8	Confident	90.1	Very high	20 Å²	20	8 Å²	8	9%	0.087	4%	0.04	C	C	.	.	H	α-helix	trans	-61.9	-49.4	173.9	-71.7	166	-165.4	168.8	0	110.8	D804 S805 L810 Q811 F812 E859 A942 R943 I945	D804-K808 VanDerWaalsContact O-CG 3.3Å; D804-K808 WeakPolarHBondContact O-CG 3.3Å; D804-K808 PolarHBondContact O-N 2.89Å; S805-K808 PolarHBondContact O-N 2.79Å; K808-L810 VanDerWaalsContact C-N 3.34Å; K808-L810 PolarHBondContact O-N 3.47Å; K808-Q811 PolarHBondContact O-N 2.89Å; K808-F812 PolarHBondContact O-N 3.37Å; K808-F812 VanDerWaalsContact O-N 3.16Å; K808-E859 IonicContact NZ-OE2 3.69Å; K808-E859 PolarHBondContact NZ-OE2 3.42Å; K808-A942 WeakPolarHBondContact CB-O 3.3Å; K808-R943 VanDerWaalsContact CD-O 3.25Å; K808-R943 WeakPolarHBondContact CD-O 3.38Å; K808-R943 WeakPolarHBondContact CE-O 3.37Å; K808-I945 HydrophobicContact CB-CD1 4.48Å; K808-I945 HydrophobicContact CG-CD1 3.76Å; K808-I945 HydrophobicContact CG-CG1 3.72Å
809	F	90.3	Very high	90.1	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-60.1	-44.7	176.3	172	-107.9	0	0	0	111.8	L378 A381 S805 I806 Q811 F812 Q813 A853 L856	L378-F809 HydrophobicContact CD1-CD1 4.29Å; L378-F809 HydrophobicContact CD1-CE1 4.13Å; A381-F809 HydrophobicContact CB-CD1 3.38Å; A381-F809 HydrophobicContact CB-CE1 3.45Å; A381-F809 VanDerWaalsContact CB-CE1 3.45Å; A381-F809 HydrophobicContact CB-CG 3.94Å; A381-F809 HydrophobicContact CB-CZ 4.07Å; S805-F809 PolarHBondContact O-N 2.92Å; S805-F809 VanDerWaalsContact O-N 3.14Å; I806-F809 PolarHBondContact O-N 3Å; F809-Q811 VanDerWaalsContact C-N 3.34Å; F809-Q811 PolarHBondContact O-N 2.92Å; F809-F812 WeakPolarHBondContact O-CB 3.4Å; F809-F812 PolarHBondContact O-N 3.46Å; F809-Q813 HydrophobicContact CE2-CB 4.41Å; F809-Q813 HydrophobicContact CZ-CB 4.25Å; F809-Q813 HydrophobicContact CZ-CG 4.45Å; F809-Q813 WeakPolarHBondContact O-CB 3.49Å; F809-Q813 PolarHBondContact O-N 3.14Å; F809-A853 VanDerWaalsContact CD2-CA 3.47Å; F809-A853 HydrophobicContact CD2-CB 3.98Å; F809-A853 VanDerWaalsContact CE2-CA 3.48Å; F809-A853 HydrophobicContact CE2-CB 3.57Å; F809-A853 HydrophobicContact CZ-CB 3.87Å; F809-L856 HydrophobicContact CB-CB 4.34Å
810	L	88.9	Confident	90.1	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.01	4%	0.038	C	C	.	.	H	α-helix	trans	-67.1	-33.3	-179.5	-163.8	150.4	0	0	0	112.2	L313 L316 L378 I806 A807 K808 L814 I877 I878 M882	L313-L810 HydrophobicContact CD2-CD1 3.76Å; L316-L810 HydrophobicContact CD2-CD1 3.61Å; L316-L810 HydrophobicContact CD2-CD2 4.03Å; L316-L810 HydrophobicContact CD2-CG 4.18Å; L378-L810 HydrophobicContact CD1-CD1 3.94Å; I806-L810 VanDerWaalsContact O-CB 3.24Å; I806-L810 WeakPolarHBondContact O-CB 3.12Å; I806-L810 PolarHBondContact O-N 3.45Å; A807-L810 PolarHBondContact O-N 2.73Å; K808-L810 VanDerWaalsContact C-N 3.34Å; K808-L810 PolarHBondContact O-N 3.47Å; L810-L814 HydrophobicContact CD2-CD1 3.36Å; L810-L814 HydrophobicContact CD2-CG 3.9Å; L810-L814 HydrophobicContact CG-CD1 4.27Å; L810-L814 HydrophobicContact CG-CG 4.33Å; L810-L814 VanDerWaalsContact O-CB 3.26Å; L810-L814 WeakPolarHBondContact O-CB 3.35Å; L810-L814 VanDerWaalsContact O-CG 3.24Å; L810-L814 WeakPolarHBondContact O-CG 3.32Å; L810-L814 PolarHBondContact O-N 2.82Å; L810-I877 HydrophobicContact CD1-CG2 4.05Å; L810-I878 HydrophobicContact CD2-CD1 3.99Å; L810-I878 HydrophobicContact CD2-CG1 3.74Å; L810-M882 HydrophobicContact CB-CE 3.83Å; L810-M882 HydrophobicContact CD2-CE 3.27Å; L810-M882 HydrophobicContact CD2-SD 4.46Å; L810-M882 HydrophobicContact CG-CE 4.14Å
811	Q	91.7	Very high	90	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.009	4%	0.043	C	C	.	.	H	α-helix	trans	-62.5	-47.6	173.1	-176.2	175.1	-57.8	0	0	110.2	A807 K808 F809 T815 M882 S885 I886	A807-Q811 PolarHBondContact O-N 3.35Å; K808-Q811 PolarHBondContact O-N 2.89Å; F809-Q811 VanDerWaalsContact C-N 3.34Å; F809-Q811 PolarHBondContact O-N 2.92Å; Q811-T815 WeakPolarHBondContact O-CB 3.25Å; Q811-T815 PolarHBondContact O-N 3.5Å; Q811-T815 PolarHBondContact O-OG1 3.03Å; Q811-M882 VanDerWaalsContact CA-CE 3.46Å; Q811-M882 HydrophobicContact CB-CE 3.75Å; Q811-M882 HydrophobicContact CB-CG 4.14Å; Q811-M882 HydrophobicContact CG-CG 4.25Å; Q811-S885 PolarHBondContact NE2-OG 3.44Å; Q811-I886 HydrophobicContact CG-CG1 4.11Å
812	F	92.4	Very high	90	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.4	-57.9	178	172.8	-103.5	0	0	0	111.2	K808 F809 L814 T815 V816 M848 A852 L856 T935 M939 A942	K808-F812 PolarHBondContact O-N 3.37Å; K808-F812 VanDerWaalsContact O-N 3.16Å; F809-F812 WeakPolarHBondContact O-CB 3.4Å; F809-F812 PolarHBondContact O-N 3.46Å; F812-L814 PolarHBondContact O-N 3.13Å; F812-T815 WeakPolarHBondContact O-CB 3.34Å; F812-T815 PolarHBondContact O-N 3.19Å; F812-T815 VanDerWaalsContact O-N 3.14Å; F812-V816 HydrophobicContact CD2-CG2 4.43Å; F812-V816 HydrophobicContact CE2-CG2 4.06Å; F812-V816 HydrophobicContact CZ-CG2 4.19Å; F812-V816 WeakPolarHBondContact O-CG2 3.47Å; F812-V816 PolarHBondContact O-N 2.92Å; F812-M848 HydrophobicContact CE1-CB 4.41Å; F812-M848 WeakPolarHBondContact CE1-O 3.41Å; F812-A852 HydrophobicContact CD1-CB 3.62Å; F812-A852 HydrophobicContact CE1-CB 3.13Å; F812-A852 HydrophobicContact CZ-CB 3.94Å; F812-L856 HydrophobicContact CB-CD1 3.84Å; F812-L856 HydrophobicContact CD1-CD1 4.23Å; F812-L856 HydrophobicContact CG-CD1 4.07Å; F812-T935 WeakPolarHBondContact CE2-O 3.47Å; F812-M939 HydrophobicContact CD2-CB 4.26Å; F812-M939 HydrophobicContact CD2-CG 4.47Å; F812-M939 HydrophobicContact CE2-CB 3.99Å; F812-M939 HydrophobicContact CE2-CG 4.34Å; F812-A942 HydrophobicContact CB-CB 3.67Å; F812-A942 HydrophobicContact CD2-CB 4.41Å; F812-A942 HydrophobicContact CG-CB 4.5Å
813	Q	90.9	Very high	90.1	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.019	6%	0.058	C	C	.	.	H	α-helix	trans	-60.7	-43.9	-175.1	-173.9	171.2	25.8	0	0	112.5	P375 F809 T815 V816 N817 D849	P375-Q813 HydrophobicContact CB-CG 4.32Å; F809-Q813 HydrophobicContact CE2-CB 4.41Å; F809-Q813 HydrophobicContact CZ-CB 4.25Å; F809-Q813 HydrophobicContact CZ-CG 4.45Å; F809-Q813 WeakPolarHBondContact O-CB 3.49Å; F809-Q813 PolarHBondContact O-N 3.14Å; Q813-T815 VanDerWaalsContact C-N 3.32Å; Q813-T815 PolarHBondContact O-N 3.09Å; Q813-V816 PolarHBondContact O-N 3.35Å; Q813-N817 WeakPolarHBondContact O-CB 3.33Å; Q813-N817 VanDerWaalsContact O-CG 3.31Å; Q813-N817 PolarHBondContact O-N 3.48Å; Q813-N817 PolarHBondContact O-OD1 3.38Å; Q813-D849 PolarHBondContact NE2-OD1 3.42Å
814	L	89.6	Confident	90	Very high	27 Å²	27	10.6 Å²	10.6	14%	0.141	6%	0.056	C	C	.	.	H	α-helix	trans	-66.1	-33.7	178.4	-70.4	-171.5	0	0	0	113.1	I320 L810 F812 L818 I878 I886	I320-L814 HydrophobicContact CD1-CD2 3.49Å; I320-L814 VanDerWaalsContact CD1-CD2 3.49Å; I320-L814 HydrophobicContact CG1-CD2 4.46Å; L810-L814 HydrophobicContact CD2-CD1 3.36Å; L810-L814 HydrophobicContact CD2-CG 3.9Å; L810-L814 HydrophobicContact CG-CD1 4.27Å; L810-L814 HydrophobicContact CG-CG 4.33Å; L810-L814 VanDerWaalsContact O-CB 3.26Å; L810-L814 WeakPolarHBondContact O-CB 3.35Å; L810-L814 VanDerWaalsContact O-CG 3.24Å; L810-L814 WeakPolarHBondContact O-CG 3.32Å; L810-L814 PolarHBondContact O-N 2.82Å; F812-L814 PolarHBondContact O-N 3.13Å; L814-L818 VanDerWaalsContact O-CB 3.23Å; L814-L818 WeakPolarHBondContact O-CB 3.31Å; L814-L818 PolarHBondContact O-N 2.9Å; L814-I878 HydrophobicContact CD1-CD1 3.52Å; L814-I878 HydrophobicContact CD1-CG1 4.38Å; L814-I886 HydrophobicContact CB-CD1 4.05Å; L814-I886 HydrophobicContact CB-CG2 4.48Å; L814-I886 HydrophobicContact CD1-CD1 4.06Å
815	T	92.2	Very high	90	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-62.8	-48.8	176.3	-56	0	0	0	0	109.8	Q811 F812 Q813 L818 V819 H889	Q811-T815 WeakPolarHBondContact O-CB 3.25Å; Q811-T815 PolarHBondContact O-N 3.5Å; Q811-T815 PolarHBondContact O-OG1 3.03Å; F812-T815 WeakPolarHBondContact O-CB 3.34Å; F812-T815 PolarHBondContact O-N 3.19Å; F812-T815 VanDerWaalsContact O-N 3.14Å; Q813-T815 VanDerWaalsContact C-N 3.32Å; Q813-T815 PolarHBondContact O-N 3.09Å; T815-L818 PolarHBondContact O-N 3.42Å; T815-V819 VanDerWaalsContact O-CG2 3.31Å; T815-V819 WeakPolarHBondContact O-CG2 3.26Å; T815-V819 PolarHBondContact O-N 2.92Å; T815-V819 VanDerWaalsContact O-N 3.13Å; T815-H889 HydrophobicContact CG2-CB 3.73Å
816	V	91.6	Very high	90	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-73.2	-38.4	-176.4	-159.6	0	0	0	0	112	F812 Q813 L818 V819 A820 V844 M848 F931 T935	F812-V816 HydrophobicContact CD2-CG2 4.43Å; F812-V816 HydrophobicContact CE2-CG2 4.06Å; F812-V816 HydrophobicContact CZ-CG2 4.19Å; F812-V816 WeakPolarHBondContact O-CG2 3.47Å; F812-V816 PolarHBondContact O-N 2.92Å; Q813-V816 PolarHBondContact O-N 3.35Å; V816-L818 VanDerWaalsContact C-N 3.33Å; V816-L818 PolarHBondContact O-N 3.41Å; V816-V819 PolarHBondContact O-N 3.49Å; V816-A820 VanDerWaalsContact O-CB 3.26Å; V816-A820 WeakPolarHBondContact O-CB 3.39Å; V816-A820 PolarHBondContact O-N 2.83Å; V816-V844 HydrophobicContact CG1-CG1 4.43Å; V816-M848 HydrophobicContact CB-CG 4Å; V816-M848 HydrophobicContact CB-SD 3.33Å; V816-M848 WeakPolarHBondContact CB-SD 3.41Å; V816-M848 HydrophobicContact CG1-CG 3.85Å; V816-M848 HydrophobicContact CG1-SD 3.02Å; V816-M848 WeakPolarHBondContact CG1-SD 3.37Å; V816-M848 HydrophobicContact CG2-CG 4.32Å; V816-M848 HydrophobicContact CG2-SD 4.27Å; V816-F931 HydrophobicContact CG1-CE1 4.41Å; V816-F931 HydrophobicContact CG1-CE2 4.33Å; V816-F931 HydrophobicContact CG1-CZ 3.69Å; V816-T935 HydrophobicContact CB-CG2 4.35Å; V816-T935 HydrophobicContact CG1-CG2 3.46Å; V816-T935 VanDerWaalsContact CG1-CG2 3.46Å; V816-T935 HydrophobicContact CG2-CG2 3.84Å
817	N	89.9	Confident	89.9	Confident	9 Å²	9	14.7 Å²	14.7	5%	0.048	8%	0.077	C	C	.	.	H	α-helix	trans	-59.6	-43.2	173.8	-74	17.2	0	0	0	111.5	I372 A373 Q813 V821	I372-N817 PolarHBondContact O-ND2 2.88Å; A373-N817 PolarHBondContact O-ND2 3.37Å; Q813-N817 WeakPolarHBondContact O-CB 3.33Å; Q813-N817 VanDerWaalsContact O-CG 3.31Å; Q813-N817 PolarHBondContact O-N 3.48Å; Q813-N817 PolarHBondContact O-OD1 3.38Å; N817-V821 WeakPolarHBondContact O-CB 3.32Å; N817-V821 WeakPolarHBondContact O-CG2 3.45Å; N817-V821 PolarHBondContact O-N 2.91Å
818	L	91.2	Very high	89.6	Confident	60 Å²	60	14.5 Å²	14.5	31%	0.314	8%	0.076	S	C	.	.	H	α-helix	trans	-59.5	-48.9	177.2	176.3	65	0	0	0	111.3	L814 T815 V816 L822 I886 L887	L814-L818 VanDerWaalsContact O-CB 3.23Å; L814-L818 WeakPolarHBondContact O-CB 3.31Å; L814-L818 PolarHBondContact O-N 2.9Å; T815-L818 PolarHBondContact O-N 3.42Å; V816-L818 VanDerWaalsContact C-N 3.33Å; V816-L818 PolarHBondContact O-N 3.41Å; L818-L822 HydrophobicContact CD1-CD1 3.79Å; L818-L822 HydrophobicContact CD1-CG 4.36Å; L818-L822 HydrophobicContact CG-CD1 4.11Å; L818-L822 WeakPolarHBondContact O-CB 3.24Å; L818-L822 VanDerWaalsContact O-CG 3.31Å; L818-L822 WeakPolarHBondContact O-CG 3.33Å; L818-L822 PolarHBondContact O-N 3.38Å; L818-L822 VanDerWaalsContact O-N 3.12Å; L818-I886 HydrophobicContact CD2-CG2 4.31Å; L818-L887 HydrophobicContact CD2-CD2 4.01Å
819	V	93	Very high	89.4	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67.2	-47.1	-178.4	178.3	0	0	0	0	110.7	T815 V816 V821 L822 V823 Q893 L894 F931	T815-V819 VanDerWaalsContact O-CG2 3.31Å; T815-V819 WeakPolarHBondContact O-CG2 3.26Å; T815-V819 PolarHBondContact O-N 2.92Å; T815-V819 VanDerWaalsContact O-N 3.13Å; V816-V819 PolarHBondContact O-N 3.49Å; V819-V821 PolarHBondContact O-N 3.24Å; V819-L822 PolarHBondContact O-N 2.81Å; V819-V823 HydrophobicContact CG1-CG2 3.95Å; V819-V823 WeakPolarHBondContact O-CB 3.44Å; V819-V823 VanDerWaalsContact O-CG2 3.23Å; V819-V823 WeakPolarHBondContact O-CG2 3.43Å; V819-V823 PolarHBondContact O-N 3.25Å; V819-Q893 HydrophobicContact CB-CB 4.44Å; V819-Q893 HydrophobicContact CG1-CB 3.83Å; V819-Q893 HydrophobicContact CG2-CB 3.79Å; V819-Q893 HydrophobicContact CG2-CG 4.38Å; V819-L894 HydrophobicContact CG1-CD2 4.18Å; V819-L894 HydrophobicContact CG1-CG 4.37Å; V819-L894 HydrophobicContact CG2-CG 4.47Å; V819-F931 HydrophobicContact CB-CE2 4.22Å; V819-F931 HydrophobicContact CG1-CD2 4.37Å; V819-F931 HydrophobicContact CG1-CE2 3.59Å; V819-F931 HydrophobicContact CG1-CZ 4.4Å
820	A	90.2	Very high	89.1	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-42.6	-178.1	0	0	0	0	0	112.2	I372 V816 A824 M841 F931	I372-A820 HydrophobicContact CG2-CB 3.59Å; V816-A820 VanDerWaalsContact O-CB 3.26Å; V816-A820 WeakPolarHBondContact O-CB 3.39Å; V816-A820 PolarHBondContact O-N 2.83Å; A820-A824 VanDerWaalsContact O-CB 3.29Å; A820-A824 WeakPolarHBondContact O-CB 3.07Å; A820-A824 PolarHBondContact O-N 3.12Å; A820-M841 HydrophobicContact CB-CE 4.19Å; A820-F931 HydrophobicContact CB-CZ 4.1Å
821	V	89.4	Confident	88.6	Confident	19 Å²	19	18.5 Å²	18.5	12%	0.115	10%	0.104	C	C	.	.	H	α-helix	trans	-65.1	-43.2	176.7	170.7	0	0	0	0	111.2	V327 V369 I372 A373 N817 V819 F825	V327-V821 HydrophobicContact CB-CG1 4.2Å; V327-V821 HydrophobicContact CG1-CG1 3.65Å; V327-V821 HydrophobicContact CG2-CG1 4.36Å; V369-V821 HydrophobicContact CG1-CG1 4.35Å; I372-V821 HydrophobicContact CG2-CG2 4.5Å; A373-V821 HydrophobicContact CB-CG2 3.86Å; N817-V821 WeakPolarHBondContact O-CB 3.32Å; N817-V821 WeakPolarHBondContact O-CG2 3.45Å; N817-V821 PolarHBondContact O-N 2.91Å; V819-V821 PolarHBondContact O-N 3.24Å; V821-F825 VanDerWaalsContact O-CB 3.24Å; V821-F825 WeakPolarHBondContact O-CB 3.41Å; V821-F825 PolarHBondContact O-N 3.37Å
822	L	91	Very high	87.8	Confident	61 Å²	61	21 Å²	21	32%	0.319	12%	0.116	S	C	.	.	H	α-helix	trans	-70.1	-39.9	179.2	-74.1	175.2	0	0	0	112.6	L818 V819 F825 V826 L894	L818-L822 HydrophobicContact CD1-CD1 3.79Å; L818-L822 HydrophobicContact CD1-CG 4.36Å; L818-L822 HydrophobicContact CG-CD1 4.11Å; L818-L822 WeakPolarHBondContact O-CB 3.24Å; L818-L822 VanDerWaalsContact O-CG 3.31Å; L818-L822 WeakPolarHBondContact O-CG 3.33Å; L818-L822 PolarHBondContact O-N 3.38Å; L818-L822 VanDerWaalsContact O-N 3.12Å; V819-L822 PolarHBondContact O-N 2.81Å; L822-F825 PolarHBondContact O-N 3.41Å; L822-V826 WeakPolarHBondContact O-CB 3.2Å; L822-V826 VanDerWaalsContact O-CG2 3.31Å; L822-V826 WeakPolarHBondContact O-CG2 3.34Å; L822-V826 PolarHBondContact O-N 2.86Å; L822-L894 HydrophobicContact CB-CD2 3.75Å; L822-L894 HydrophobicContact CD1-CD1 3.67Å; L822-L894 HydrophobicContact CD1-CD2 4.39Å
823	V	90.9	Very high	86.9	Confident	1 Å²	1	22 Å²	22	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-44.9	175	168.5	0	0	0	0	110.5	V819 G827 P835 L836 L894 V897 F898	V819-V823 HydrophobicContact CG1-CG2 3.95Å; V819-V823 WeakPolarHBondContact O-CB 3.44Å; V819-V823 VanDerWaalsContact O-CG2 3.23Å; V819-V823 WeakPolarHBondContact O-CG2 3.43Å; V819-V823 PolarHBondContact O-N 3.25Å; V823-G827 WeakPolarHBondContact O-CA 3.41Å; V823-G827 PolarHBondContact O-N 2.83Å; V823-P835 HydrophobicContact CG1-CG 3.56Å; V823-L836 HydrophobicContact CG1-CD1 4.47Å; V823-L894 HydrophobicContact CG2-CD2 3.92Å; V823-V897 HydrophobicContact CG1-CG1 3.93Å; V823-V897 HydrophobicContact CG2-CB 4.29Å; V823-V897 HydrophobicContact CG2-CG1 3.73Å; V823-F898 HydrophobicContact CG2-CE1 4.48Å
824	A	86.1	Confident	86.2	Confident	2 Å²	2	22.3 Å²	22.3	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-65.3	-42.5	176.9	0	0	0	0	0	111.9	V369 A820 A828 M841	V369-A824 HydrophobicContact CG2-CB 3.69Å; A820-A824 VanDerWaalsContact O-CB 3.29Å; A820-A824 WeakPolarHBondContact O-CB 3.07Å; A820-A824 PolarHBondContact O-N 3.12Å; A824-A828 WeakPolarHBondContact O-CB 3.35Å; A824-A828 PolarHBondContact O-N 3.13Å; A824-M841 HydrophobicContact CB-CE 4.06Å
825	F	87.6	Confident	85.8	Confident	55 Å²	55	21.1 Å²	21.1	24%	0.241	12%	0.118	C	C	.	.	H	α-helix	trans	-65.4	-51.8	178.9	175.3	-114.4	0	0	0	112.6	V327 L330 T331 V821 L822 A828 C829	V327-F825 HydrophobicContact CG1-CB 4.28Å; V327-F825 HydrophobicContact CG1-CD2 4.45Å; V327-F825 HydrophobicContact CG1-CG 4.42Å; L330-F825 HydrophobicContact CD2-CD2 4.22Å; L330-F825 HydrophobicContact CD2-CE2 3.16Å; L330-F825 HydrophobicContact CD2-CZ 3.47Å; L330-F825 VanDerWaalsContact CD2-CZ 3.47Å; T331-F825 WeakPolarHBondContact OG1-CD2 3.35Å; V821-F825 VanDerWaalsContact O-CB 3.24Å; V821-F825 WeakPolarHBondContact O-CB 3.41Å; V821-F825 PolarHBondContact O-N 3.37Å; L822-F825 PolarHBondContact O-N 3.41Å; F825-A828 PolarHBondContact O-N 3.03Å; F825-C829 WeakPolarHBondContact CE2-SG 3.31Å; F825-C829 WeakPolarHBondContact O-CB 3.23Å; F825-C829 PolarHBondContact O-N 3.29Å; F825-C829 PolarHBondContact O-SG 3.41Å
826	V	88.9	Confident	85.3	Confident	41 Å²	41	21.2 Å²	21.2	25%	0.248	12%	0.118	C	C	.	.	H	α-helix	trans	-68.9	-38.1	-179.7	174.7	0	0	0	0	111	L822 C829 S830 F898	L822-V826 WeakPolarHBondContact O-CB 3.2Å; L822-V826 VanDerWaalsContact O-CG2 3.31Å; L822-V826 WeakPolarHBondContact O-CG2 3.34Å; L822-V826 PolarHBondContact O-N 2.86Å; V826-C829 PolarHBondContact O-N 2.87Å; V826-S830 VanDerWaalsContact O-CB 3.3Å; V826-S830 WeakPolarHBondContact O-CB 3.26Å; V826-S830 PolarHBondContact O-N 3.37Å; V826-S830 PolarHBondContact O-OG 3.41Å; V826-F898 HydrophobicContact CB-CE1 3.78Å; V826-F898 HydrophobicContact CB-CZ 3.68Å; V826-F898 HydrophobicContact CG1-CD1 4.4Å; V826-F898 HydrophobicContact CG1-CE1 3.65Å; V826-F898 HydrophobicContact CG1-CZ 3.73Å; V826-F898 HydrophobicContact CG2-CE1 4.45Å; V826-F898 HydrophobicContact CG2-CZ 3.84Å
827	G	85.1	Confident	84.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.1	-53	172.4	0	0	0	0	0	111.6	V823 C829 S830 I831 D833	V823-G827 WeakPolarHBondContact O-CA 3.41Å; V823-G827 PolarHBondContact O-N 2.83Å; G827-C829 VanDerWaalsContact C-N 3.33Å; G827-C829 PolarHBondContact O-N 2.98Å; G827-S830 PolarHBondContact O-N 2.98Å; G827-S830 VanDerWaalsContact O-N 3.16Å; G827-I831 PolarHBondContact O-N 2.95Å; G827-D833 CarbonylContact C-O 3.4Å; G827-D833 VanDerWaalsContact O-O 3.08Å
828	A	81.9	Confident	83.9	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-58.4	-42	176.4	0	0	0	0	0	112.6	T331 L335 A824 F825 S830 E832 D833	T331-A828 HydrophobicContact CG2-CB 3.69Å; L335-A828 HydrophobicContact CD1-CB 4.07Å; L335-A828 HydrophobicContact CD2-CB 4Å; L335-A828 WeakPolarHBondContact CD2-O 3.29Å; L335-A828 HydrophobicContact CG-CB 4.18Å; A824-A828 WeakPolarHBondContact O-CB 3.35Å; A824-A828 PolarHBondContact O-N 3.13Å; F825-A828 PolarHBondContact O-N 3.03Å; A828-S830 VanDerWaalsContact C-N 3.35Å; A828-S830 PolarHBondContact O-N 2.97Å; A828-E832 WeakPolarHBondContact O-CA 3.02Å; A828-E832 PolarHBondContact O-N 2.91Å; A828-D833 PolarHBondContact N-O 3.28Å
829	C	84.1	Confident	83.3	Confident	38 Å²	38	20.4 Å²	20.4	26%	0.257	11%	0.114	S	C	.	.	H	α-helix	trans	-67.5	-33.9	178.4	-68	0	0	0	0	113	R338 F825 V826 G827	R338-C829 PolarHBondContact NH1-O 3.32Å; F825-C829 WeakPolarHBondContact CE2-SG 3.31Å; F825-C829 WeakPolarHBondContact O-CB 3.23Å; F825-C829 PolarHBondContact O-N 3.29Å; F825-C829 PolarHBondContact O-SG 3.41Å; V826-C829 PolarHBondContact O-N 2.87Å; G827-C829 VanDerWaalsContact C-N 3.33Å; G827-C829 PolarHBondContact O-N 2.98Å
830	S	84.4	Confident	82.9	Confident	50 Å²	50	20.5 Å²	20.5	35%	0.35	12%	0.115	S	C	.	.	H	α-helix	trans	-92.5	-49.6	-172.2	-51.8	0	0	0	0	112.3	R338 V826 G827 A828	R338-S830 PolarHBondContact NH1-O 3.45Å; R338-S830 VanDerWaalsContact NH1-O 3.09Å; V826-S830 VanDerWaalsContact O-CB 3.3Å; V826-S830 WeakPolarHBondContact O-CB 3.26Å; V826-S830 PolarHBondContact O-N 3.37Å; V826-S830 PolarHBondContact O-OG 3.41Å; G827-S830 PolarHBondContact O-N 2.98Å; G827-S830 VanDerWaalsContact O-N 3.16Å; A828-S830 VanDerWaalsContact C-N 3.35Å; A828-S830 PolarHBondContact O-N 2.97Å
831	I	79.1	Confident	82.5	Confident	18 Å²	18	20.6 Å²	20.6	9%	0.092	12%	0.115	C	C	.	.	H	α-helix	trans	-106.2	1.4	-166.8	-62.9	162.5	0	0	0	112.1	G827 D833 L901 I914	G827-I831 PolarHBondContact O-N 2.95Å; I831-D833 PolarHBondContact O-N 3.46Å; I831-L901 HydrophobicContact CD1-CD1 3.41Å; I831-L901 VanDerWaalsContact CD1-CD1 3.41Å; I831-L901 HydrophobicContact CD1-CD2 3.7Å; I831-L901 HydrophobicContact CD1-CG 3.53Å; I831-I914 HydrophobicContact CD1-CD1 4.27Å; I831-I914 HydrophobicContact CD1-CG1 4.16Å; I831-I914 HydrophobicContact CG1-CD1 4.44Å; I831-I914 HydrophobicContact CG1-CG1 4.34Å; I831-I914 HydrophobicContact CG1-CG2 4.39Å; I831-I914 HydrophobicContact CG2-CB 4.45Å; I831-I914 HydrophobicContact CG2-CG1 4.36Å; I831-I914 HydrophobicContact CG2-CG2 4.01Å
832	E	74	Confident	81.9	Confident	54 Å²	54	20.7 Å²	20.7	25%	0.252	12%	0.115	S	C	.	.	S	Bend	trans	61.6	7.1	-174.6	-54.9	166.4	-158.7	0	0	114.4	R338 A828 R917	R338-E832 IonicContact CZ-OE1 2.71Å; R338-E832 IonicContact NE-OE1 2.7Å; R338-E832 IonicContact NH2-OE1 3.95Å; R338-E832 PolarHBondContact NH2-OE1 2.91Å; A828-E832 WeakPolarHBondContact O-CA 3.02Å; A828-E832 PolarHBondContact O-N 2.91Å; E832-R917 IonicContact OE2-NH2 3.49Å; E832-R917 PolarHBondContact OE2-NH2 3.07Å; E832-R917 VanDerWaalsContact OE2-NH2 3.14Å
833	D	72.8	Confident	81.6	Confident	21 Å²	21	18.9 Å²	18.9	11%	0.112	10%	0.104	C	C	.	.	S	Bend	trans	-148.8	158.4	178.8	-160.3	-2.6	0	0	0	108.7	G827 A828 I831 K837	G827-D833 CarbonylContact C-O 3.4Å; G827-D833 VanDerWaalsContact O-O 3.08Å; A828-D833 PolarHBondContact N-O 3.28Å; I831-D833 PolarHBondContact O-N 3.46Å; D833-K837 IonicContact OD1-NZ 3.57Å; D833-K837 IonicContact OD2-NZ 3.31Å; D833-K837 PolarHBondContact OD2-NZ 3.24Å
834	S	78	Confident	81.3	Confident	10 Å²	10	18.9 Å²	18.9	7%	0.07	10%	0.104	C	C	.	.			trans	-80.4	135	172.4	173.2	0	0	0	0	109.4	L836	S834-L836 WeakPolarHBondContact CB-O 3.33Å; S834-L836 PolarHBondContact O-N 2.86Å; S834-L836 VanDerWaalsContact O-N 3.14Å; S834-L836 PolarHBondContact OG-N 3.48Å; S834-L836 PolarHBondContact OG-O 2.93Å
835	P	80.4	Confident	81	Confident	2 Å²	2	19.4 Å²	19.4	1%	0.013	11%	0.106	C	C	.	.	S	Bend	trans	-64.6	-16.6	174.7	28	-35.7	0	0	0	113	V823 L901 F924	V823-P835 HydrophobicContact CG1-CG 3.56Å; P835-L901 HydrophobicContact CB-CD1 3.65Å; P835-L901 HydrophobicContact CG-CD1 4.28Å; P835-F924 HydrophobicContact CB-CD1 4.14Å; P835-F924 HydrophobicContact CB-CE1 4.09Å
836	L	82.7	Confident	80.6	Confident	4 Å²	4	18 Å²	18	2%	0.021	10%	0.102	C	C	.	.	S	Bend	trans	-112.7	120.6	175.4	-60.1	175.8	0	0	0	108.9	V823 S834 M841 F928 F931	V823-L836 HydrophobicContact CG1-CD1 4.47Å; S834-L836 WeakPolarHBondContact CB-O 3.33Å; S834-L836 PolarHBondContact O-N 2.86Å; S834-L836 VanDerWaalsContact O-N 3.14Å; S834-L836 PolarHBondContact OG-N 3.48Å; S834-L836 PolarHBondContact OG-O 2.93Å; L836-M841 HydrophobicContact CB-CE 4.21Å; L836-M841 HydrophobicContact CB-CG 3.79Å; L836-M841 HydrophobicContact CB-SD 3.54Å; L836-M841 VanDerWaalsContact CB-SD 3.54Å; L836-M841 HydrophobicContact CD1-CE 4.02Å; L836-M841 HydrophobicContact CD1-SD 3.44Å; L836-M841 WeakPolarHBondContact CD1-SD 3.43Å; L836-M841 HydrophobicContact CG-SD 4.13Å; L836-F928 HydrophobicContact CD2-CB 3.98Å; L836-F928 HydrophobicContact CD2-CD2 4.15Å; L836-F931 HydrophobicContact CD1-CD1 3.8Å; L836-F931 HydrophobicContact CD1-CE1 3.97Å; L836-F931 HydrophobicContact CD1-CG 4.48Å
837	K	77.5	Confident	80.3	Confident	30 Å²	30	16.3 Å²	16.3	13%	0.13	9%	0.091	C	C	.	.			trans	-71.9	160.4	178.5	-65.6	-70.9	171.2	179.4	0	111	D833 I839 Q840 M841 R917 F984	D833-K837 IonicContact OD1-NZ 3.57Å; D833-K837 IonicContact OD2-NZ 3.31Å; D833-K837 PolarHBondContact OD2-NZ 3.24Å; K837-I839 VanDerWaalsContact C-N 3.29Å; K837-I839 PolarHBondContact O-N 3.24Å; K837-Q840 WeakPolarHBondContact O-CB 3.13Å; K837-Q840 PolarHBondContact O-N 2.86Å; K837-Q840 VanDerWaalsContact O-N 3.12Å; K837-M841 PolarHBondContact O-N 3.42Å; K837-R917 PolarHBondContact NZ-O 3.36Å; K837-F984 HydrophobicContact CG-CB 4.35Å; K837-F984 HydrophobicContact CG-CG 4.4Å
838	A	73.7	Confident	80.2	Confident	13 Å²	13	16.4 Å²	16.4	11%	0.107	9%	0.091	C	C	.	.	H	α-helix	trans	-54.8	-42	-175.2	0	0	0	0	0	113.1	M841 L842	A838-M841 WeakPolarHBondContact O-CB 3.4Å; A838-M841 PolarHBondContact O-N 2.93Å; A838-L842 WeakPolarHBondContact O-CG 3.34Å; A838-L842 PolarHBondContact O-N 3.06Å
839	I	77.6	Confident	80.1	Confident	8 Å²	8	16.7 Å²	16.7	4%	0.041	9%	0.093	C	C	.	.	H	α-helix	trans	-66.5	-42.9	179.8	-58	150.9	0	0	0	111.4	A123 K837 M841 L842 W843 F983 F984	A123-I839 HydrophobicContact CB-CD1 3.31Å; A123-I839 HydrophobicContact CB-CG1 3.7Å; K837-I839 VanDerWaalsContact C-N 3.29Å; K837-I839 PolarHBondContact O-N 3.24Å; I839-M841 VanDerWaalsContact C-N 3.31Å; I839-M841 PolarHBondContact O-N 3Å; I839-L842 PolarHBondContact O-N 3.47Å; I839-W843 PolarHBondContact O-N 3.34Å; I839-F983 HydrophobicContact CG2-CD1 3.87Å; I839-F983 HydrophobicContact CG2-CE1 4.13Å; I839-F984 HydrophobicContact CD1-CD2 4.07Å; I839-F984 HydrophobicContact CD1-CE2 3.93Å
840	Q	85.8	Confident	79.8	Confident	2 Å²	2	15.5 Å²	15.5	1%	0.009	9%	0.085	C	C	.	.	H	α-helix	trans	-62.4	-41.5	176.3	-68.9	171.6	-5.9	0	0	110.7	K837 W843 V844 F928 F983 F984	K837-Q840 WeakPolarHBondContact O-CB 3.13Å; K837-Q840 PolarHBondContact O-N 2.86Å; K837-Q840 VanDerWaalsContact O-N 3.12Å; Q840-W843 WeakPolarHBondContact O-CB 3.37Å; Q840-W843 PolarHBondContact O-N 2.98Å; Q840-V844 VanDerWaalsContact O-CG2 3.29Å; Q840-V844 WeakPolarHBondContact O-CG2 3.44Å; Q840-V844 PolarHBondContact O-N 3.44Å; Q840-F928 HydrophobicContact CB-CD2 3.7Å; Q840-F928 HydrophobicContact CB-CE2 3.6Å; Q840-F928 HydrophobicContact CB-CG 4.46Å; Q840-F928 HydrophobicContact CB-CZ 4.29Å; Q840-F928 HydrophobicContact CG-CD1 4.47Å; Q840-F928 HydrophobicContact CG-CD2 3.91Å; Q840-F928 HydrophobicContact CG-CE1 4.45Å; Q840-F928 HydrophobicContact CG-CE2 3.88Å; Q840-F928 HydrophobicContact CG-CG 4.19Å; Q840-F928 HydrophobicContact CG-CZ 4.15Å; Q840-F983 WeakPolarHBondContact CG-O 3.3Å; Q840-F983 PolarHBondContact NE2-O 2.82Å; Q840-F984 PolarHBondContact NE2-O 3.15Å
841	M	81.1	Confident	79.8	Confident	3 Å²	3	15.5 Å²	15.5	2%	0.015	8%	0.081	C	C	.	.	H	α-helix	trans	-64.6	-39.4	175.4	-74.2	-57.6	-122.5	0	0	113	T368 I372 A820 A824 L836 K837 A838 I839 V844 N845	T368-M841 HydrophobicContact CG2-CB 3.97Å; T368-M841 HydrophobicContact CG2-CG 4.22Å; I372-M841 HydrophobicContact CD1-CB 3.56Å; I372-M841 HydrophobicContact CD1-CE 3.26Å; I372-M841 HydrophobicContact CD1-CG 3.66Å; I372-M841 HydrophobicContact CD1-SD 3.63Å; I372-M841 HydrophobicContact CG1-CB 4.45Å; A820-M841 HydrophobicContact CB-CE 4.19Å; A824-M841 HydrophobicContact CB-CE 4.06Å; L836-M841 HydrophobicContact CB-CE 4.21Å; L836-M841 HydrophobicContact CB-CG 3.79Å; L836-M841 HydrophobicContact CB-SD 3.54Å; L836-M841 VanDerWaalsContact CB-SD 3.54Å; L836-M841 HydrophobicContact CD1-CE 4.02Å; L836-M841 HydrophobicContact CD1-SD 3.44Å; L836-M841 WeakPolarHBondContact CD1-SD 3.43Å; L836-M841 HydrophobicContact CG-SD 4.13Å; K837-M841 PolarHBondContact O-N 3.42Å; A838-M841 WeakPolarHBondContact O-CB 3.4Å; A838-M841 PolarHBondContact O-N 2.93Å; I839-M841 VanDerWaalsContact C-N 3.31Å; I839-M841 PolarHBondContact O-N 3Å; M841-V844 PolarHBondContact O-N 3.05Å; M841-N845 PolarHBondContact O-N 2.97Å
842	L	76.7	Confident	80.2	Confident	20 Å²	20	14.7 Å²	14.7	11%	0.105	8%	0.077	C	C	.	.	H	α-helix	trans	-64.9	-38.5	174.3	-71.5	170.7	0	0	0	111.9	L91 A127 A838 I839 N845 L846	L91-L842 HydrophobicContact CD1-CD2 4.5Å; A127-L842 HydrophobicContact CB-CB 4.36Å; A127-L842 HydrophobicContact CB-CD1 3.71Å; A838-L842 WeakPolarHBondContact O-CG 3.34Å; A838-L842 PolarHBondContact O-N 3.06Å; I839-L842 PolarHBondContact O-N 3.47Å; L842-N845 WeakPolarHBondContact O-CB 3.14Å; L842-N845 PolarHBondContact O-N 3.44Å; L842-L846 PolarHBondContact O-N 3.5Å
843	W	85	Confident	80.6	Confident	23 Å²	23	12.1 Å²	12.1	9%	0.087	7%	0.065	C	C	.	.	H	α-helix	trans	-62	-46.1	173.1	169.1	-114.2	0	0	0	112	I839 Q840 N845 L846 I847 F928 L971 I975	I839-W843 PolarHBondContact O-N 3.34Å; Q840-W843 WeakPolarHBondContact O-CB 3.37Å; Q840-W843 PolarHBondContact O-N 2.98Å; W843-N845 VanDerWaalsContact C-N 3.26Å; W843-N845 PolarHBondContact O-N 3.37Å; W843-L846 HydrophobicContact CE3-CD2 4.14Å; W843-L846 HydrophobicContact CZ3-CD2 3.94Å; W843-L846 PolarHBondContact O-N 2.81Å; W843-I847 HydrophobicContact CD2-CD1 4.01Å; W843-I847 HydrophobicContact CD2-CG1 4.31Å; W843-I847 HydrophobicContact CG-CD1 4.39Å; W843-I847 HydrophobicContact CH2-CD1 4.16Å; W843-I847 HydrophobicContact CH2-CG1 3.95Å; W843-I847 HydrophobicContact CZ2-CD1 3.42Å; W843-I847 VanDerWaalsContact CZ2-CD1 3.42Å; W843-I847 HydrophobicContact CZ2-CG1 3.74Å; W843-I847 HydrophobicContact CZ3-CG1 4.4Å; W843-I847 VanDerWaalsContact NE1-CD1 3.34Å; W843-I847 PolarHBondContact O-N 3.29Å; W843-I847 VanDerWaalsContact O-N 3.13Å; W843-F928 AromaticContact CD1-CE2 3.98Å; W843-F928 AromaticContact CD1-CZ 3.6Å; W843-L971 HydrophobicContact CH2-CB 4.2Å; W843-L971 HydrophobicContact CH2-CD2 3.24Å; W843-L971 HydrophobicContact CH2-CG 3.57Å; W843-L971 HydrophobicContact CZ2-CB 4.35Å; W843-L971 HydrophobicContact CZ2-CD2 4.12Å; W843-L971 HydrophobicContact CZ2-CG 3.94Å; W843-L971 HydrophobicContact CZ3-CD2 3.7Å; W843-L971 HydrophobicContact CZ3-CG 4.28Å; W843-I975 HydrophobicContact CD2-CD1 3.78Å; W843-I975 VanDerWaalsContact CE2-CD1 3.49Å; W843-I975 HydrophobicContact CE3-CD1 4.2Å; W843-I975 HydrophobicContact CG-CD1 4.31Å; W843-I975 HydrophobicContact CH2-CD1 4.26Å; W843-I975 HydrophobicContact CZ2-CD1 3.75Å; W843-I975 HydrophobicContact CZ3-CD1 4.43Å
844	V	85.5	Confident	81.1	Confident	2 Å²	2	13.7 Å²	13.7	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-58.2	-43.2	174	177.1	0	0	0	0	109.5	V816 Q840 M841 L846 I847 M848 F928 F931 V932	V816-V844 HydrophobicContact CG1-CG1 4.43Å; Q840-V844 VanDerWaalsContact O-CG2 3.29Å; Q840-V844 WeakPolarHBondContact O-CG2 3.44Å; Q840-V844 PolarHBondContact O-N 3.44Å; M841-V844 PolarHBondContact O-N 3.05Å; V844-L846 PolarHBondContact O-N 3.3Å; V844-I847 PolarHBondContact O-N 2.96Å; V844-M848 HydrophobicContact CB-CE 4.25Å; V844-M848 HydrophobicContact CG1-CE 3.47Å; V844-M848 VanDerWaalsContact CG1-CE 3.47Å; V844-M848 HydrophobicContact CG1-CG 3.84Å; V844-M848 HydrophobicContact CG1-SD 3.43Å; V844-M848 WeakPolarHBondContact CG1-SD 3.29Å; V844-M848 WeakPolarHBondContact O-CB 3.26Å; V844-M848 WeakPolarHBondContact O-CG 3.48Å; V844-M848 PolarHBondContact O-N 2.94Å; V844-F928 HydrophobicContact CG2-CE2 4.24Å; V844-F931 HydrophobicContact CG1-CD1 4.47Å; V844-F931 HydrophobicContact CG1-CE1 3.72Å; V844-F931 HydrophobicContact CG1-CZ 4.5Å; V844-F931 HydrophobicContact CG2-CD1 4.2Å; V844-F931 HydrophobicContact CG2-CE1 4.16Å; V844-V932 HydrophobicContact CG2-CG2 3.92Å
845	N	79.7	Confident	81.5	Confident	12 Å²	12	13.2 Å²	13.2	6%	0.064	7%	0.069	C	C	.	.	H	α-helix	trans	-58.5	-45	177.4	-165.5	19.7	0	0	0	112.4	M841 L842 W843 I847 M848 D849	M841-N845 PolarHBondContact O-N 2.97Å; L842-N845 WeakPolarHBondContact O-CB 3.14Å; L842-N845 PolarHBondContact O-N 3.44Å; W843-N845 VanDerWaalsContact C-N 3.26Å; W843-N845 PolarHBondContact O-N 3.37Å; N845-I847 PolarHBondContact O-N 3.41Å; N845-M848 VanDerWaalsContact CA-CE 3.46Å; N845-M848 HydrophobicContact CB-CE 4.24Å; N845-M848 PolarHBondContact O-N 3.25Å; N845-D849 WeakPolarHBondContact O-CB 3.18Å; N845-D849 PolarHBondContact O-N 3.47Å
846	L	79.1	Confident	81.9	Confident	27 Å²	27	13.2 Å²	13.2	14%	0.141	7%	0.07	C	C	.	.	H	α-helix	trans	-60.5	-42.6	178	-173.6	69.3	0	0	0	112.8	V130 V134 L842 W843 V844 S850 L851	V130-L846 HydrophobicContact CG1-CD2 4.29Å; V134-L846 HydrophobicContact CB-CD1 4.41Å; V134-L846 HydrophobicContact CG1-CD1 4.22Å; V134-L846 HydrophobicContact CG2-CD1 4.33Å; L842-L846 PolarHBondContact O-N 3.5Å; W843-L846 HydrophobicContact CE3-CD2 4.14Å; W843-L846 HydrophobicContact CZ3-CD2 3.94Å; W843-L846 PolarHBondContact O-N 2.81Å; V844-L846 PolarHBondContact O-N 3.3Å; L846-S850 PolarHBondContact O-N 3.04Å; L846-L851 PolarHBondContact O-N 2.95Å
847	I	81.6	Confident	81.9	Confident	4 Å²	4	13.1 Å²	13.1	2%	0.021	7%	0.069	C	C	.	.	I	π-helix	trans	-64.7	-52.7	175.7	-64.7	163.5	0	0	0	110.2	W843 V844 N845 D849 A852 V932 L936	W843-I847 HydrophobicContact CD2-CD1 4.01Å; W843-I847 HydrophobicContact CD2-CG1 4.31Å; W843-I847 HydrophobicContact CG-CD1 4.39Å; W843-I847 HydrophobicContact CH2-CD1 4.16Å; W843-I847 HydrophobicContact CH2-CG1 3.95Å; W843-I847 HydrophobicContact CZ2-CD1 3.42Å; W843-I847 VanDerWaalsContact CZ2-CD1 3.42Å; W843-I847 HydrophobicContact CZ2-CG1 3.74Å; W843-I847 HydrophobicContact CZ3-CG1 4.4Å; W843-I847 VanDerWaalsContact NE1-CD1 3.34Å; W843-I847 PolarHBondContact O-N 3.29Å; W843-I847 VanDerWaalsContact O-N 3.13Å; V844-I847 PolarHBondContact O-N 2.96Å; N845-I847 PolarHBondContact O-N 3.41Å; I847-D849 PolarHBondContact O-N 3.09Å; I847-A852 WeakPolarHBondContact O-CB 3.36Å; I847-A852 PolarHBondContact O-N 3.31Å; I847-V932 HydrophobicContact CD1-CG1 3.91Å; I847-L936 HydrophobicContact CG2-CD2 4.01Å
848	M	83.2	Confident	82.2	Confident	2 Å²	2	12 Å²	12	1%	0.01	7%	0.065	C	C	.	.	I	π-helix	trans	-62.6	-33.1	-172	-73	-178.5	-56.4	0	0	113	F812 V816 V844 N845 A852	F812-M848 HydrophobicContact CE1-CB 4.41Å; F812-M848 WeakPolarHBondContact CE1-O 3.41Å; V816-M848 HydrophobicContact CB-CG 4Å; V816-M848 HydrophobicContact CB-SD 3.33Å; V816-M848 WeakPolarHBondContact CB-SD 3.41Å; V816-M848 HydrophobicContact CG1-CG 3.85Å; V816-M848 HydrophobicContact CG1-SD 3.02Å; V816-M848 WeakPolarHBondContact CG1-SD 3.37Å; V816-M848 HydrophobicContact CG2-CG 4.32Å; V816-M848 HydrophobicContact CG2-SD 4.27Å; V844-M848 HydrophobicContact CB-CE 4.25Å; V844-M848 HydrophobicContact CG1-CE 3.47Å; V844-M848 VanDerWaalsContact CG1-CE 3.47Å; V844-M848 HydrophobicContact CG1-CG 3.84Å; V844-M848 HydrophobicContact CG1-SD 3.43Å; V844-M848 WeakPolarHBondContact CG1-SD 3.29Å; V844-M848 WeakPolarHBondContact O-CB 3.26Å; V844-M848 WeakPolarHBondContact O-CG 3.48Å; V844-M848 PolarHBondContact O-N 2.94Å; N845-M848 VanDerWaalsContact CA-CE 3.46Å; N845-M848 HydrophobicContact CB-CE 4.24Å; N845-M848 PolarHBondContact O-N 3.25Å; M848-A852 WeakPolarHBondContact O-CB 3.4Å
849	D	80.3	Confident	82.7	Confident	8 Å²	8	11.9 Å²	11.9	4%	0.043	6%	0.062	C	C	.	.	I	π-helix	trans	-103.9	-71.5	-164.6	-158.3	31	0	0	0	110.6	G377 Q813 N845 I847 A853	G377-D849 WeakPolarHBondContact CA-OD1 3.34Å; G377-D849 VanDerWaalsContact CA-OD2 3.26Å; G377-D849 WeakPolarHBondContact CA-OD2 3.4Å; G377-D849 PolarHBondContact N-OD1 3.02Å; G377-D849 PolarHBondContact N-OD2 2.81Å; Q813-D849 PolarHBondContact NE2-OD1 3.42Å; N845-D849 WeakPolarHBondContact O-CB 3.18Å; N845-D849 PolarHBondContact O-N 3.47Å; I847-D849 PolarHBondContact O-N 3.09Å; D849-A853 WeakPolarHBondContact O-CB 3.26Å; D849-A853 PolarHBondContact O-N 2.88Å; D849-A853 VanDerWaalsContact O-N 3.07Å
850	S	78.5	Confident	83.1	Confident	12 Å²	12	13.5 Å²	13.5	8%	0.084	7%	0.074	C	C	.	.	I	π-helix	trans	-72.1	-48.6	-175.6	-73	0	0	0	0	113.2	L846 L854	L846-S850 PolarHBondContact O-N 3.04Å; S850-L854 PolarHBondContact O-N 3.34Å; S850-L854 VanDerWaalsContact O-N 3.15Å
851	L	84.3	Confident	83.1	Confident	50 Å²	50	14.3 Å²	14.3	26%	0.262	8%	0.08	S	C	.	.	I	π-helix	trans	-73.8	-43.3	-174.8	-65.6	-179.6	0	0	0	111.9	L846 L854 A855 I964	L846-L851 PolarHBondContact O-N 2.95Å; L851-L854 PolarHBondContact O-N 3.14Å; L851-A855 PolarHBondContact O-N 3.5Å; L851-I964 HydrophobicContact CB-CG2 4.05Å
852	A	86.1	Confident	83.2	Confident	2 Å²	2	15.8 Å²	15.8	2%	0.017	9%	0.087	C	C	.	.	H	α-helix	trans	-69.1	-35.7	176.7	0	0	0	0	0	112.7	F812 I847 M848 L854 A855 L856 M939	F812-A852 HydrophobicContact CD1-CB 3.62Å; F812-A852 HydrophobicContact CE1-CB 3.13Å; F812-A852 HydrophobicContact CZ-CB 3.94Å; I847-A852 WeakPolarHBondContact O-CB 3.36Å; I847-A852 PolarHBondContact O-N 3.31Å; M848-A852 WeakPolarHBondContact O-CB 3.4Å; A852-L854 VanDerWaalsContact C-N 3.3Å; A852-L854 PolarHBondContact O-N 3.3Å; A852-A855 PolarHBondContact O-N 3.41Å; A852-L856 WeakPolarHBondContact O-CB 3.09Å; A852-L856 PolarHBondContact O-N 3.47Å; A852-M939 HydrophobicContact CB-SD 4.48Å
853	A	83.7	Confident	83.6	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.4	-48.5	170.6	0	0	0	0	0	110.4	A381 F809 D849 A855 A857	A381-A853 HydrophobicContact CB-CB 3.72Å; F809-A853 VanDerWaalsContact CD2-CA 3.47Å; F809-A853 HydrophobicContact CD2-CB 3.98Å; F809-A853 VanDerWaalsContact CE2-CA 3.48Å; F809-A853 HydrophobicContact CE2-CB 3.57Å; F809-A853 HydrophobicContact CZ-CB 3.87Å; D849-A853 WeakPolarHBondContact O-CB 3.26Å; D849-A853 PolarHBondContact O-N 2.88Å; D849-A853 VanDerWaalsContact O-N 3.07Å; A853-A855 VanDerWaalsContact C-N 3.34Å; A853-A855 PolarHBondContact O-N 3.46Å; A853-A857 WeakPolarHBondContact O-CB 3.37Å; A853-A857 PolarHBondContact O-N 3.45Å
854	L	83	Confident	83.6	Confident	53 Å²	53	24.5 Å²	24.5	28%	0.277	13%	0.13	S	C	.	.	H	α-helix	trans	-63.8	-37.4	179.4	-174.8	63.3	0	0	0	112.6	L384 S850 L851 A852 T858 L960 I964	L384-L854 HydrophobicContact CD1-CD1 4.31Å; S850-L854 PolarHBondContact O-N 3.34Å; S850-L854 VanDerWaalsContact O-N 3.15Å; L851-L854 PolarHBondContact O-N 3.14Å; A852-L854 VanDerWaalsContact C-N 3.3Å; A852-L854 PolarHBondContact O-N 3.3Å; L854-T858 HydrophobicContact CD1-CG2 4.43Å; L854-T858 VanDerWaalsContact O-CG2 3.29Å; L854-T858 WeakPolarHBondContact O-CG2 3.25Å; L854-T858 PolarHBondContact O-OG1 3.43Å; L854-L960 HydrophobicContact CD1-CD2 4.11Å; L854-L960 HydrophobicContact CG-CD2 4.02Å; L854-I964 HydrophobicContact CB-CD1 4Å; L854-I964 HydrophobicContact CD2-CD1 3.82Å; L854-I964 HydrophobicContact CG-CD1 3.75Å
855	A	86.3	Confident	83.6	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-72.7	-43.5	-179.5	0	0	0	0	0	113.5	L851 A852 A853 M939 N958 F961 I964	L851-A855 PolarHBondContact O-N 3.5Å; A852-A855 PolarHBondContact O-N 3.41Å; A853-A855 VanDerWaalsContact C-N 3.34Å; A853-A855 PolarHBondContact O-N 3.46Å; A855-M939 HydrophobicContact CB-CE 4.23Å; A855-M939 HydrophobicContact CB-SD 4.41Å; A855-N958 PolarHBondContact O-ND2 3.49Å; A855-F961 HydrophobicContact CB-CD2 3.98Å; A855-I964 HydrophobicContact CB-CB 4.24Å; A855-I964 HydrophobicContact CB-CD1 3.92Å; A855-I964 HydrophobicContact CB-CG2 4.13Å
856	L	87.9	Confident	84	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-87.4	-26.9	-174	-66.8	171.7	0	0	0	112.9	F809 F812 A852 T858 M939 F961	F809-L856 HydrophobicContact CB-CB 4.34Å; F812-L856 HydrophobicContact CB-CD1 3.84Å; F812-L856 HydrophobicContact CD1-CD1 4.23Å; F812-L856 HydrophobicContact CG-CD1 4.07Å; A852-L856 WeakPolarHBondContact O-CB 3.09Å; A852-L856 PolarHBondContact O-N 3.47Å; L856-T858 PolarHBondContact O-N 3.33Å; L856-M939 HydrophobicContact CD1-CG 4.33Å; L856-M939 HydrophobicContact CD2-CG 4.37Å; L856-M939 HydrophobicContact CG-CG 4.42Å; L856-F961 HydrophobicContact CD2-CD2 4.29Å; L856-F961 HydrophobicContact CD2-CE2 3.84Å
857	A	84.3	Confident	84.4	Confident	2 Å²	2	31.6 Å²	31.6	2%	0.017	16%	0.16	C	C	.	.	H	α-helix	trans	-75.9	-18	-177.4	0	0	0	0	0	114.5	S385 A853	S385-A857 PolarHBondContact OG-O 2.97Å; A853-A857 WeakPolarHBondContact O-CB 3.37Å; A853-A857 PolarHBondContact O-N 3.45Å
858	T	83.5	Confident	84.6	Confident	6 Å²	6	33.7 Å²	33.7	4%	0.037	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	20.8	-170.3	64.2	0	0	0	0	114.5	Y388 L854 L856 L960	Y388-T858 HydrophobicContact CD2-CG2 4.19Å; Y388-T858 HydrophobicContact CG-CG2 4.28Å; L854-T858 HydrophobicContact CD1-CG2 4.43Å; L854-T858 VanDerWaalsContact O-CG2 3.29Å; L854-T858 WeakPolarHBondContact O-CG2 3.25Å; L854-T858 PolarHBondContact O-OG1 3.43Å; L856-T858 PolarHBondContact O-N 3.33Å; T858-L960 HydrophobicContact CG2-CD2 3.82Å
859	E	83.5	Confident	84.8	Confident	11 Å²	11	41.7 Å²	41.7	5%	0.051	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-72.2	145.6	179.3	-163.9	164.7	-162.3	0	0	111.9	N801 K808 R943	N801-E859 PolarHBondContact ND2-O 3.07Å; K808-E859 IonicContact NZ-OE2 3.69Å; K808-E859 PolarHBondContact NZ-OE2 3.42Å; E859-R943 IonicContact OE1-CZ 2.84Å; E859-R943 IonicContact OE1-NE 2.66Å; E859-R943 PolarHBondContact OE1-NE 3.34Å; E859-R943 IonicContact OE1-NH2 3.54Å; E859-R943 PolarHBondContact OE1-NH2 2.92Å; E859-R943 IonicContact OE2-NE 3.81Å
860	S	85.4	Confident	85.1	Confident	42 Å²	42	42.6 Å²	42.6	29%	0.294	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-83.5	147.1	178.7	-62.3	0	0	0	0	112
861	P	86.4	Confident	85	Confident	19 Å²	19	43.2 Å²	43.2	12%	0.123	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-61.3	155	179.3	22.8	-32.6	0	0	0	113.2	M797 W798 N801 L865	M797-P861 HydrophobicContact CE-CB 3.99Å; M797-P861 HydrophobicContact CE-CG 3.92Å; M797-P861 HydrophobicContact CG-CB 3.67Å; M797-P861 HydrophobicContact SD-CB 3.97Å; W798-P861 HydrophobicContact CD2-CG 3.96Å; W798-P861 HydrophobicContact CE3-CG 4.19Å; W798-P861 VanDerWaalsContact CH2-CD 3.47Å; W798-P861 HydrophobicContact CH2-CG 4.03Å; W798-P861 HydrophobicContact CZ2-CG 3.8Å; W798-P861 HydrophobicContact CZ3-CG 4.23Å; N801-P861 HydrophobicContact CB-CB 3.96Å; P861-L865 HydrophobicContact CB-CD1 4.29Å
862	Q	83	Confident	84.5	Confident	34 Å²	34	40.9 Å²	40.9	16%	0.159	20%	0.198	C	C	.	.			trans	-121.7	146.8	176.9	-58	-175.3	-20.5	0	0	110.5	D864 L865	Q862-D864 PolarHBondContact O-N 3.26Å; Q862-L865 HydrophobicContact CB-CG 4.35Å; Q862-L865 WeakPolarHBondContact O-CB 3.49Å; Q862-L865 WeakPolarHBondContact O-CG 3.39Å; Q862-L865 PolarHBondContact O-N 3.35Å; Q862-L865 VanDerWaalsContact O-N 3.11Å
863	E	84.6	Confident	83.8	Confident	155 Å²	155	42 Å²	42	72%	0.724	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-66.8	-24.6	177.4	-66.9	-176.8	-177.8	0	0	112.8	L865 L866	E863-L865 PolarHBondContact O-N 3.5Å; E863-L865 VanDerWaalsContact O-N 3.11Å; E863-L866 WeakPolarHBondContact O-CB 3.38Å; E863-L866 PolarHBondContact O-N 3.46Å
864	D	84.8	Confident	83.1	Confident	70 Å²	70	45.6 Å²	45.6	37%	0.374	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-59.9	-22.8	174	-63.1	-45.9	0	0	0	112.1	Q862 L866 K867 R954	Q862-D864 PolarHBondContact O-N 3.26Å; D864-L866 PolarHBondContact O-N 2.99Å; D864-K867 PolarHBondContact O-N 2.92Å; D864-K867 IonicContact OD1-NZ 2.77Å; D864-K867 PolarHBondContact OD1-NZ 3.35Å; D864-R954 IonicContact OD2-NH1 3.64Å
865	L	86.6	Confident	82.6	Confident	11 Å²	11	47.5 Å²	47.5	6%	0.058	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-62.5	-20	172.3	-59	174.7	0	0	0	112.6	M797 R800 N801 D804 P861 Q862 E863 R868	M797-L865 HydrophobicContact CG-CD1 4.43Å; R800-L865 HydrophobicContact CB-CB 4.3Å; R800-L865 HydrophobicContact CB-CD1 4.41Å; R800-L865 VanDerWaalsContact CD-O 3.26Å; R800-L865 WeakPolarHBondContact CD-O 3.41Å; R800-L865 PolarHBondContact NH1-O 2.92Å; N801-L865 HydrophobicContact CB-CD1 3.94Å; D804-L865 VanDerWaalsContact OD2-CD2 3.32Å; D804-L865 WeakPolarHBondContact OD2-CD2 3.37Å; P861-L865 HydrophobicContact CB-CD1 4.29Å; Q862-L865 HydrophobicContact CB-CG 4.35Å; Q862-L865 WeakPolarHBondContact O-CB 3.49Å; Q862-L865 WeakPolarHBondContact O-CG 3.39Å; Q862-L865 PolarHBondContact O-N 3.35Å; Q862-L865 VanDerWaalsContact O-N 3.11Å; E863-L865 PolarHBondContact O-N 3.5Å; E863-L865 VanDerWaalsContact O-N 3.11Å; L865-R868 VanDerWaalsContact CD2-CZ 3.45Å; L865-R868 WeakPolarHBondContact O-CG 3.45Å
866	L	87.7	Confident	81.9	Confident	24 Å²	24	48.1 Å²	48.1	13%	0.126	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-87.6	-9.6	176	-63.1	175.5	0	0	0	113.2	A654 V793 V796 M797 E863 D864	A654-L866 WeakPolarHBondContact CA-O 3.42Å; A654-L866 HydrophobicContact CB-CD2 4.39Å; A654-L866 WeakPolarHBondContact CB-O 3.38Å; A654-L866 PolarHBondContact N-O 3.31Å; V793-L866 HydrophobicContact CG1-CD1 3.91Å; V793-L866 HydrophobicContact CG1-CD2 4.2Å; V796-L866 HydrophobicContact CG1-CD2 4.34Å; M797-L866 HydrophobicContact CB-CD2 4.43Å; E863-L866 WeakPolarHBondContact O-CB 3.38Å; E863-L866 PolarHBondContact O-N 3.46Å; D864-L866 PolarHBondContact O-N 2.99Å
867	K	88.4	Confident	81.5	Confident	156 Å²	156	48.4 Å²	48.4	68%	0.678	23%	0.229	S	C	*	.	S	Bend	trans	-84.7	-15.8	178.1	-64.5	174.7	-176.9	160.5	0	113.3	D864	D864-K867 PolarHBondContact O-N 2.92Å; D864-K867 IonicContact OD1-NZ 2.77Å; D864-K867 PolarHBondContact OD1-NZ 3.35Å
868	R	85.8	Confident	81.4	Confident	47 Å²	47	48.5 Å²	48.5	18%	0.177	23%	0.229	C	C	.	.	S	Bend	trans	-94.2	156.1	-178.7	66.6	-175	-171	-172.7	8.1	112.1	A654 R800 D804 L865 Y871 H946	A654-R868 CarbonylContact C-O 3.6Å; R800-R868 PolarHBondContact NH1-O 3.45Å; R800-R868 PolarHBondContact O-NH2 2.99Å; D804-R868 IonicContact OD1-CZ 3.98Å; D804-R868 IonicContact OD1-NH1 3.12Å; D804-R868 PolarHBondContact OD1-NH1 3.06Å; D804-R868 IonicContact OD1-NH2 3.11Å; D804-R868 PolarHBondContact OD1-NH2 3.05Å; D804-R868 IonicContact OD2-CZ 3.18Å; D804-R868 VanDerWaalsContact OD2-CZ 3.29Å; D804-R868 IonicContact OD2-NH1 2.62Å; D804-R868 PolarHBondContact OD2-NH1 3Å; D804-R868 IonicContact OD2-NH2 2.64Å; D804-R868 PolarHBondContact OD2-NH2 3.27Å; L865-R868 VanDerWaalsContact CD2-CZ 3.45Å; L865-R868 WeakPolarHBondContact O-CG 3.45Å; R868-Y871 VanDerWaalsContact CZ-OH 3.26Å; R868-Y871 PolarHBondContact NH1-OH 2.96Å; R868-Y871 PolarHBondContact NH2-OH 3.1Å; R868-H946 PolarHBondContact NH1-CE1 2.94Å; R868-H946 PolarHBondContact NH1-NE2 3.22Å
869	K	86.6	Confident	81.3	Confident	170 Å²	170	49.9 Å²	49.9	74%	0.739	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-73.1	154.1	170.1	-68.5	-177.2	179	-177.6	0	111.1
870	P	85.7	Confident	81.2	Confident	28 Å²	28	52.3 Å²	52.3	18%	0.182	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-62.4	153.2	175.4	25.5	-33.7	0	0	0	112	T413 A654	T413-P870 HydrophobicContact CG2-CB 4.25Å; T413-P870 HydrophobicContact CG2-CG 3.72Å; A654-P870 WeakPolarHBondContact O-CD 3.47Å
871	Y	76.7	Confident	81.1	Confident	24 Å²	24	52.3 Å²	52.3	9%	0.094	24%	0.243	C	C	.	.			trans	-71.6	-29.2	-178.3	-65.9	-70.7	0	0	0	112.9	N411 Y803 D804 R868 K875 H946	N411-Y871 WeakPolarHBondContact OD1-CB 3.2Å; Y803-Y871 AromaticContact CD1-CD2 3.63Å; Y803-Y871 HydrophobicContact CD1-CD2 3.63Å; Y803-Y871 AromaticContact CD1-CE2 3.23Å; Y803-Y871 HydrophobicContact CD1-CE2 3.23Å; Y803-Y871 HydrophobicContact CD1-CG 4.41Å; Y803-Y871 AromaticContact CD1-CZ 3.74Å; Y803-Y871 HydrophobicContact CE1-CD1 4.26Å; Y803-Y871 AromaticContact CE1-CD2 3.76Å; Y803-Y871 HydrophobicContact CE1-CD2 3.76Å; Y803-Y871 HydrophobicContact CE1-CE1 4.14Å; Y803-Y871 AromaticContact CE1-CE2 3.6Å; Y803-Y871 HydrophobicContact CE1-CE2 3.6Å; Y803-Y871 HydrophobicContact CE1-CG 4.08Å; Y803-Y871 AromaticContact CE1-CZ 3.79Å; Y803-Y871 HydrophobicContact CG-CD2 4.05Å; Y803-Y871 AromaticContact CG-CE2 3.94Å; Y803-Y871 HydrophobicContact CG-CE2 3.94Å; D804-Y871 PolarHBondContact OD1-OH 2.92Å; R868-Y871 VanDerWaalsContact CZ-OH 3.26Å; R868-Y871 PolarHBondContact NH1-OH 2.96Å; R868-Y871 PolarHBondContact NH2-OH 3.1Å; Y871-K875 HydrophobicContact CD1-CD 3.91Å; Y871-K875 WeakPolarHBondContact O-CB 3.32Å; Y871-K875 WeakPolarHBondContact O-CD 3.43Å; Y871-H946 PolarHBondContact OH-NE2 2.95Å; Y871-H946 VanDerWaalsContact OH-NE2 3.13Å
872	G	73.5	Confident	81.2	Confident	2 Å²	2	51.5 Å²	51.5	2%	0.021	24%	0.238	C	C	.	.			trans	78.8	168.1	-176.3	0	0	0	0	0	113.6
873	R	72.2	Confident	81.4	Confident	24 Å²	24	51.1 Å²	51.1	9%	0.091	24%	0.236	C	C	.	.	S	Bend	trans	-67.8	-41.7	-174.9	-60.3	-168.6	-171.9	-143.7	-9.5	112.9	K312 T742 R743 E744 V745 D763 E1031	K312-R873 WeakPolarHBondContact CE-O 3.25Å; K312-R873 PolarHBondContact NZ-O 3.16Å; T742-R873 WeakPolarHBondContact O-CB 3.47Å; T742-R873 PolarHBondContact O-N 3.47Å; R743-R873 HydrophobicContact CB-CB 4.34Å; R743-R873 HydrophobicContact CB-CG 4.15Å; E744-R873 PolarHBondContact O-NE 3.28Å; E744-R873 PolarHBondContact O-NH2 2.91Å; V745-R873 HydrophobicContact CG2-CG 3.72Å; D763-R873 IonicContact OD1-CZ 2.73Å; D763-R873 IonicContact OD1-NH1 2.74Å; D763-R873 IonicContact OD1-NH2 3.49Å; D763-R873 PolarHBondContact OD1-NH2 3Å; D763-R873 IonicContact OD2-CZ 3.63Å; D763-R873 IonicContact OD2-NH2 2.98Å; D763-R873 PolarHBondContact OD2-NH2 3.37Å; R873-E1031 IonicContact CZ-OE1 2.64Å; R873-E1031 IonicContact NH1-OE1 2.66Å; R873-E1031 PolarHBondContact NH1-OE1 3.4Å
874	K	68.9	Low	81.7	Confident	76 Å²	76	44.5 Å²	44.5	33%	0.33	21%	0.205	S	C	.	.	S	Bend	trans	-87.9	-11.8	-169.8	-60	-160.7	-174.9	-146.7	0	115.8	D1028	K874-D1028 VanDerWaalsContact CD-OD1 3.29Å; K874-D1028 WeakPolarHBondContact CD-OD1 3.43Å; K874-D1028 WeakPolarHBondContact CE-OD1 3.47Å; K874-D1028 VanDerWaalsContact NZ-CG 3.32Å; K874-D1028 IonicContact NZ-OD1 2.63Å; K874-D1028 PolarHBondContact NZ-OD1 2.53Å; K874-D1028 IonicContact NZ-OD2 2.75Å; K874-D1028 PolarHBondContact NZ-OD2 2.89Å; K874-D1028 VanDerWaalsContact NZ-OD2 3.14Å
875	K	73.1	Confident	81.9	Confident	94 Å²	94	41.9 Å²	41.9	41%	0.409	19%	0.192	S	C	.	.	S	Bend	trans	-63.1	133.3	-175	-167.9	175.7	178.1	177.7	0	110.1	K312 Y871	K312-K875 PolarHBondContact NZ-O 2.91Å; Y871-K875 HydrophobicContact CD1-CD 3.91Å; Y871-K875 WeakPolarHBondContact O-CB 3.32Å; Y871-K875 WeakPolarHBondContact O-CD 3.43Å
876	P	72.2	Confident	82.1	Confident	12 Å²	12	41.8 Å²	41.8	8%	0.078	19%	0.192	C	C	.	.			trans	-60.9	145.5	177.6	24	-34	0	0	0	110.6	I878 E1023 A1026	P876-I878 VanDerWaalsContact C-N 3.33Å; P876-E1023 HydrophobicContact CB-CB 4.44Å; P876-E1023 HydrophobicContact CG-CB 4.03Å; P876-E1023 HydrophobicContact CG-CG 4.27Å; P876-A1026 HydrophobicContact CB-CB 4.06Å
877	I	77.7	Confident	82.3	Confident	9 Å²	9	43.1 Å²	43.1	5%	0.046	20%	0.199	C	C	.	.	S	Bend	trans	-62	-46.5	172.3	-64.3	-179.4	0	0	0	109.4	L309 K312 L313 L810 S879	L309-I877 HydrophobicContact CD1-CD1 3.59Å; L309-I877 HydrophobicContact CD1-CG1 4.04Å; K312-I877 HydrophobicContact CB-CD1 3.38Å; K312-I877 HydrophobicContact CB-CG1 3.96Å; K312-I877 HydrophobicContact CD-CD1 4.12Å; K312-I877 HydrophobicContact CD-CG1 3.79Å; K312-I877 HydrophobicContact CG-CD1 4.4Å; L313-I877 HydrophobicContact CD2-CD1 3.65Å; L313-I877 HydrophobicContact CG-CD1 3.97Å; L810-I877 HydrophobicContact CD1-CG2 4.05Å; I877-S879 PolarHBondContact O-N 3.03Å
878	I	82.7	Confident	82.5	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.026	17%	0.173	C	C	.	.	S	Bend	trans	-87.6	99.4	-179.9	-55.1	171.6	0	0	0	108.9	L316 L810 L814 P876 M882 M883 I886 V1024	L316-I878 HydrophobicContact CD1-CD1 3.76Å; L316-I878 HydrophobicContact CD2-CD1 4.3Å; L810-I878 HydrophobicContact CD2-CD1 3.99Å; L810-I878 HydrophobicContact CD2-CG1 3.74Å; L814-I878 HydrophobicContact CD1-CD1 3.52Å; L814-I878 HydrophobicContact CD1-CG1 4.38Å; P876-I878 VanDerWaalsContact C-N 3.33Å; I878-M882 HydrophobicContact CB-SD 4.27Å; I878-M882 HydrophobicContact CG1-SD 4.26Å; I878-M882 HydrophobicContact CG2-CB 4.38Å; I878-M882 HydrophobicContact CG2-CG 4.32Å; I878-M882 HydrophobicContact CG2-SD 4.12Å; I878-M883 HydrophobicContact CG2-CB 4.26Å; I878-M883 HydrophobicContact CG2-CE 3.99Å; I878-I886 HydrophobicContact CG2-CD1 4.41Å; I878-V1024 HydrophobicContact CD1-CB 4.36Å
879	S	82	Confident	82.8	Confident	34 Å²	34	34.2 Å²	34.2	24%	0.238	17%	0.165	C	C	.	.			trans	-72.4	161.9	174.5	75.7	0	0	0	0	111.7	I877 Q881 M882 M883	I877-S879 PolarHBondContact O-N 3.03Å; S879-Q881 PolarHBondContact O-N 3.46Å; S879-M882 WeakPolarHBondContact O-CB 3.4Å; S879-M882 PolarHBondContact O-N 3.03Å; S879-M882 VanDerWaalsContact O-N 3.1Å; S879-M882 WeakPolarHBondContact OG-CB 3.38Å; S879-M882 PolarHBondContact OG-N 3.15Å; S879-M883 PolarHBondContact O-N 3.45Å
880	R	81.3	Confident	83.2	Confident	62 Å²	62	26.2 Å²	26.2	23%	0.234	13%	0.13	C	C	.	.	H	α-helix	trans	-57.7	-37.3	174.2	-63.9	-169.7	-162.4	147.9	22.7	113.3	M882 M883 K884 R1020 E1023	R880-M882 VanDerWaalsContact C-N 3.32Å; R880-M883 PolarHBondContact O-N 3.35Å; R880-K884 WeakPolarHBondContact O-CB 3.12Å; R880-K884 PolarHBondContact O-N 2.92Å; R880-R1020 VanDerWaalsContact CZ-CG 3.41Å; R880-E1023 HydrophobicContact CG-CG 3.74Å; R880-E1023 WeakPolarHBondContact CG-OE1 3.42Å; R880-E1023 IonicContact CZ-OE1 3.82Å; R880-E1023 IonicContact NE-OE1 3.21Å; R880-E1023 PolarHBondContact NE-OE1 2.75Å; R880-E1023 IonicContact NH2-OE1 2.84Å; R880-E1023 PolarHBondContact NH2-OE1 3.3Å
881	Q	84.2	Confident	83.6	Confident	43 Å²	43	29.6 Å²	29.6	20%	0.201	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-40	178.2	-172.8	70.5	4.1	0	0	111	S879 K884 S885 I945	S879-Q881 PolarHBondContact O-N 3.46Å; Q881-K884 VanDerWaalsContact NE2-NZ 3.19Å; Q881-K884 WeakPolarHBondContact O-CB 3.46Å; Q881-K884 PolarHBondContact O-N 3.03Å; Q881-S885 PolarHBondContact O-N 2.87Å; Q881-S885 VanDerWaalsContact O-N 3.1Å; Q881-I945 WeakPolarHBondContact CG-O 3.26Å
882	M	88.4	Confident	84.4	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-66.6	-44.9	175.5	-173.9	-177.3	-178.2	0	0	111.4	A807 L810 Q811 I878 S879 R880 K884 S885 I886 I945	A807-M882 WeakPolarHBondContact O-CE 3.35Å; L810-M882 HydrophobicContact CB-CE 3.83Å; L810-M882 HydrophobicContact CD2-CE 3.27Å; L810-M882 HydrophobicContact CD2-SD 4.46Å; L810-M882 HydrophobicContact CG-CE 4.14Å; Q811-M882 VanDerWaalsContact CA-CE 3.46Å; Q811-M882 HydrophobicContact CB-CE 3.75Å; Q811-M882 HydrophobicContact CB-CG 4.14Å; Q811-M882 HydrophobicContact CG-CG 4.25Å; I878-M882 HydrophobicContact CB-SD 4.27Å; I878-M882 HydrophobicContact CG1-SD 4.26Å; I878-M882 HydrophobicContact CG2-CB 4.38Å; I878-M882 HydrophobicContact CG2-CG 4.32Å; I878-M882 HydrophobicContact CG2-SD 4.12Å; S879-M882 WeakPolarHBondContact O-CB 3.4Å; S879-M882 PolarHBondContact O-N 3.03Å; S879-M882 VanDerWaalsContact O-N 3.1Å; S879-M882 WeakPolarHBondContact OG-CB 3.38Å; S879-M882 PolarHBondContact OG-N 3.15Å; R880-M882 VanDerWaalsContact C-N 3.32Å; M882-K884 VanDerWaalsContact C-N 3.3Å; M882-K884 PolarHBondContact O-N 3.36Å; M882-S885 WeakPolarHBondContact O-CB 3.4Å; M882-S885 PolarHBondContact O-N 3.22Å; M882-S885 VanDerWaalsContact O-N 3.12Å; M882-I886 HydrophobicContact CE-CD1 4.37Å; M882-I886 HydrophobicContact CG-CD1 4.01Å; M882-I886 VanDerWaalsContact O-CG1 3.31Å; M882-I886 WeakPolarHBondContact O-CG1 3.32Å; M882-I886 PolarHBondContact O-N 2.89Å; M882-I945 HydrophobicContact CB-CG2 4.4Å
883	M	87.1	Confident	85.5	Confident	27 Å²	27	30 Å²	30	13%	0.133	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-40	175	-174.9	61	76.2	0	0	112.1	I878 S879 R880 S885 I886 L887 M1022 V1024	I878-M883 HydrophobicContact CG2-CB 4.26Å; I878-M883 HydrophobicContact CG2-CE 3.99Å; S879-M883 PolarHBondContact O-N 3.45Å; R880-M883 PolarHBondContact O-N 3.35Å; M883-S885 VanDerWaalsContact C-N 3.3Å; M883-S885 PolarHBondContact O-N 3.49Å; M883-I886 PolarHBondContact O-N 3.38Å; M883-L887 HydrophobicContact CG-CD1 3.91Å; M883-L887 HydrophobicContact CG-CG 4.39Å; M883-L887 WeakPolarHBondContact O-CB 3.41Å; M883-L887 WeakPolarHBondContact O-CG 3.26Å; M883-L887 PolarHBondContact O-N 3.48Å; M883-L887 HydrophobicContact SD-CD1 3.95Å; M883-L887 HydrophobicContact SD-CG 4.02Å; M883-M1022 WeakPolarHBondContact CE-O 3.42Å; M883-M1022 HydrophobicContact CG-CB 4.34Å; M883-M1022 HydrophobicContact CG-CE 4.05Å; M883-M1022 HydrophobicContact SD-CE 4.43Å; M883-V1024 HydrophobicContact CE-CG2 4.24Å
884	K	89.4	Confident	86.5	Confident	15 Å²	15	30.1 Å²	30.1	7%	0.065	15%	0.149	C	C	.	.	H	α-helix	trans	-56.2	-46.7	173.1	-170.8	-172.9	73.4	171.6	0	111.4	R880 Q881 M882 G888 V1010 I1011 I1013 L1018	R880-K884 WeakPolarHBondContact O-CB 3.12Å; R880-K884 PolarHBondContact O-N 2.92Å; Q881-K884 VanDerWaalsContact NE2-NZ 3.19Å; Q881-K884 WeakPolarHBondContact O-CB 3.46Å; Q881-K884 PolarHBondContact O-N 3.03Å; M882-K884 VanDerWaalsContact C-N 3.3Å; M882-K884 PolarHBondContact O-N 3.36Å; K884-G888 WeakPolarHBondContact O-CA 3.44Å; K884-G888 PolarHBondContact O-N 3.49Å; K884-V1010 WeakPolarHBondContact CE-O 3.43Å; K884-V1010 HydrophobicContact CG-CG1 4.24Å; K884-V1010 PolarHBondContact NZ-O 2.94Å; K884-I1011 PolarHBondContact NZ-O 2.72Å; K884-I1011 VanDerWaalsContact NZ-O 3.07Å; K884-I1013 HydrophobicContact CD-CB 4.48Å; K884-I1013 WeakPolarHBondContact CD-O 3.41Å; K884-I1013 PolarHBondContact NZ-O 3.42Å; K884-L1018 HydrophobicContact CB-CD1 3.5Å; K884-L1018 VanDerWaalsContact CB-CD1 3.5Å; K884-L1018 HydrophobicContact CG-CD1 3.94Å
885	S	89.3	Confident	87.8	Confident	16 Å²	16	30.5 Å²	30.5	11%	0.112	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-48.7	178.3	-166.5	0	0	0	0	111.5	Q811 Q881 M882 M883 L887 G888 H889	Q811-S885 PolarHBondContact NE2-OG 3.44Å; Q881-S885 PolarHBondContact O-N 2.87Å; Q881-S885 VanDerWaalsContact O-N 3.1Å; M882-S885 WeakPolarHBondContact O-CB 3.4Å; M882-S885 PolarHBondContact O-N 3.22Å; M882-S885 VanDerWaalsContact O-N 3.12Å; M883-S885 VanDerWaalsContact C-N 3.3Å; M883-S885 PolarHBondContact O-N 3.49Å; S885-L887 PolarHBondContact O-N 2.79Å; S885-G888 PolarHBondContact O-N 2.76Å; S885-H889 WeakPolarHBondContact O-CB 3.26Å; S885-H889 PolarHBondContact O-CD2 3.34Å; S885-H889 VanDerWaalsContact O-CD2 3.25Å; S885-H889 PolarHBondContact O-N 2.97Å; S885-H889 PolarHBondContact OG-CD2 3.43Å
886	I	91.1	Very high	88.8	Confident	8 Å²	8	26.7 Å²	26.7	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-57	-49.1	179.9	-67.7	165.3	0	0	0	111.3	Q811 L814 L818 I878 M882 M883 G890	Q811-I886 HydrophobicContact CG-CG1 4.11Å; L814-I886 HydrophobicContact CB-CD1 4.05Å; L814-I886 HydrophobicContact CB-CG2 4.48Å; L814-I886 HydrophobicContact CD1-CD1 4.06Å; L818-I886 HydrophobicContact CD2-CG2 4.31Å; I878-I886 HydrophobicContact CG2-CD1 4.41Å; M882-I886 HydrophobicContact CE-CD1 4.37Å; M882-I886 HydrophobicContact CG-CD1 4.01Å; M882-I886 VanDerWaalsContact O-CG1 3.31Å; M882-I886 WeakPolarHBondContact O-CG1 3.32Å; M882-I886 PolarHBondContact O-N 2.89Å; M883-I886 PolarHBondContact O-N 3.38Å; I886-G890 PolarHBondContact O-N 2.89Å
887	L	91.8	Very high	89.8	Confident	52 Å²	52	26.1 Å²	26.1	27%	0.272	14%	0.139	S	C	.	.	H	α-helix	trans	-73.4	-39.4	-179.6	-65.3	174	0	0	0	112.2	L818 M883 S885 G890 I891 M1022	L818-L887 HydrophobicContact CD2-CD2 4.01Å; M883-L887 HydrophobicContact CG-CD1 3.91Å; M883-L887 HydrophobicContact CG-CG 4.39Å; M883-L887 WeakPolarHBondContact O-CB 3.41Å; M883-L887 WeakPolarHBondContact O-CG 3.26Å; M883-L887 PolarHBondContact O-N 3.48Å; M883-L887 HydrophobicContact SD-CD1 3.95Å; M883-L887 HydrophobicContact SD-CG 4.02Å; S885-L887 PolarHBondContact O-N 2.79Å; L887-G890 PolarHBondContact O-N 2.83Å; L887-I891 WeakPolarHBondContact O-CB 3.28Å; L887-I891 WeakPolarHBondContact O-CD1 3.48Å; L887-I891 WeakPolarHBondContact O-CG1 3.36Å; L887-I891 PolarHBondContact O-N 3.3Å; L887-M1022 HydrophobicContact CD1-CE 3.34Å
888	G	92	Very high	90.5	Very high	13 Å²	13	28 Å²	28	13%	0.134	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-46.1	-179.7	0	0	0	0	0	112.4	K884 S885 Y892 W1006	K884-G888 WeakPolarHBondContact O-CA 3.44Å; K884-G888 PolarHBondContact O-N 3.49Å; S885-G888 PolarHBondContact O-N 2.76Å; G888-Y892 PolarHBondContact O-N 3.36Å; G888-W1006 PolarHBondContact O-NE1 3.15Å
889	H	93.7	Very high	90.9	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.019	17%	0.167	C	C	.	.	H	α-helix	trans	-67.8	-47.9	171.9	-75	-62.4	0	0	0	111.1	T815 S885 I891 Y892 Q893 N941 E1003 G1007	T815-H889 HydrophobicContact CG2-CB 3.73Å; S885-H889 WeakPolarHBondContact O-CB 3.26Å; S885-H889 PolarHBondContact O-CD2 3.34Å; S885-H889 VanDerWaalsContact O-CD2 3.25Å; S885-H889 PolarHBondContact O-N 2.97Å; S885-H889 PolarHBondContact OG-CD2 3.43Å; H889-I891 VanDerWaalsContact C-N 3.26Å; H889-I891 PolarHBondContact O-N 3.24Å; H889-I891 VanDerWaalsContact O-N 3.17Å; H889-Y892 WeakPolarHBondContact O-CB 3.15Å; H889-Y892 PolarHBondContact O-N 3.4Å; H889-Q893 VanDerWaalsContact O-CG 3.32Å; H889-Q893 WeakPolarHBondContact O-CG 3.36Å; H889-Q893 PolarHBondContact O-N 3.36Å; H889-N941 PolarHBondContact CE1-ND2 2.92Å; H889-E1003 IonicContact CE1-OE2 2.82Å; H889-E1003 IonicContact CG-OE1 3.14Å; H889-E1003 IonicContact ND1-OE1 3.83Å; H889-E1003 PolarHBondContact ND1-OE1 3.46Å; H889-E1003 VanDerWaalsContact ND1-OE1 3.12Å; H889-E1003 IonicContact ND1-OE2 3.77Å; H889-E1003 PolarHBondContact ND1-OE2 3.31Å; H889-E1003 VanDerWaalsContact ND1-OE2 3.11Å; H889-G1007 WeakPolarHBondContact CE1-CA 3.44Å
890	G	93.6	Very high	91.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-53.9	-40.2	179.4	0	0	0	0	0	113.7	I886 L887 Q893 L894	I886-G890 PolarHBondContact O-N 2.89Å; L887-G890 PolarHBondContact O-N 2.83Å; G890-Q893 PolarHBondContact O-N 3.42Å; G890-L894 WeakPolarHBondContact O-CB 3.32Å; G890-L894 WeakPolarHBondContact O-CD1 3.15Å; G890-L894 WeakPolarHBondContact O-CG 3.4Å; G890-L894 PolarHBondContact O-N 3.4Å
891	I	94.2	Very high	91.7	Very high	99 Å²	99	26.9 Å²	26.9	51%	0.508	15%	0.145	S	C	.	.	H	α-helix	trans	-63.4	-46.8	175.6	-71.1	163.8	0	0	0	111.3	L887 H889 Q893 L894 V895	L887-I891 WeakPolarHBondContact O-CB 3.28Å; L887-I891 WeakPolarHBondContact O-CD1 3.48Å; L887-I891 WeakPolarHBondContact O-CG1 3.36Å; L887-I891 PolarHBondContact O-N 3.3Å; H889-I891 VanDerWaalsContact C-N 3.26Å; H889-I891 PolarHBondContact O-N 3.24Å; H889-I891 VanDerWaalsContact O-N 3.17Å; I891-Q893 VanDerWaalsContact C-N 3.34Å; I891-Q893 PolarHBondContact O-N 3Å; I891-L894 PolarHBondContact O-N 2.96Å; I891-V895 HydrophobicContact CG2-CG2 4.3Å; I891-V895 WeakPolarHBondContact O-CB 3.26Å; I891-V895 VanDerWaalsContact O-CG2 3.26Å; I891-V895 WeakPolarHBondContact O-CG2 3.26Å; I891-V895 PolarHBondContact O-N 2.91Å
892	Y	95.2	Very high	91.9	Very high	36 Å²	36	29.8 Å²	29.8	14%	0.141	16%	0.157	C	C	.	.	H	α-helix	trans	-58.9	-48.8	178.2	179.5	-96.3	0	0	0	111.2	G888 H889 L894 V895 V896 M934 F999 G1002 E1003 W1006	G888-Y892 PolarHBondContact O-N 3.36Å; H889-Y892 WeakPolarHBondContact O-CB 3.15Å; H889-Y892 PolarHBondContact O-N 3.4Å; Y892-L894 VanDerWaalsContact C-N 3.34Å; Y892-L894 PolarHBondContact O-N 3.32Å; Y892-V895 PolarHBondContact O-N 3.16Å; Y892-V896 HydrophobicContact CD1-CG2 4.23Å; Y892-V896 HydrophobicContact CD2-CG2 4.46Å; Y892-V896 HydrophobicContact CE1-CG2 3.82Å; Y892-V896 HydrophobicContact CE2-CG2 4.07Å; Y892-V896 WeakPolarHBondContact O-CG2 3.24Å; Y892-V896 PolarHBondContact O-N 3.38Å; Y892-M934 HydrophobicContact CD1-SD 3.89Å; Y892-M934 HydrophobicContact CE1-SD 3.88Å; Y892-F999 PolarHBondContact OH-O 3.2Å; Y892-G1002 WeakPolarHBondContact OH-CA 3.5Å; Y892-E1003 HydrophobicContact CD1-CB 4.11Å; Y892-E1003 WeakPolarHBondContact CD1-OE2 3.32Å; Y892-E1003 HydrophobicContact CE1-CB 3.82Å; Y892-W1006 VanDerWaalsContact CB-CD1 3.48Å; Y892-W1006 HydrophobicContact CD2-CB 3.92Å; Y892-W1006 AromaticContact CD2-CD2 3.85Å; Y892-W1006 HydrophobicContact CD2-CD2 3.85Å; Y892-W1006 HydrophobicContact CD2-CE3 4.28Å; Y892-W1006 AromaticContact CD2-CG 3.67Å; Y892-W1006 HydrophobicContact CD2-CG 3.67Å; Y892-W1006 HydrophobicContact CE2-CB 4.24Å; Y892-W1006 HydrophobicContact CE2-CG 4.42Å; Y892-W1006 HydrophobicContact CG-CB 4.22Å; Y892-W1006 AromaticContact CG-CD1 3.92Å; Y892-W1006 HydrophobicContact CG-CD2 4.46Å; Y892-W1006 AromaticContact CG-CG 3.94Å; Y892-W1006 HydrophobicContact CG-CG 3.94Å
893	Q	94.9	Very high	91.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-43.4	-179.8	-57.5	-158.3	-7.7	0	0	112.1	V819 H889 G890 I891 V897 M934 E1003	V819-Q893 HydrophobicContact CB-CB 4.44Å; V819-Q893 HydrophobicContact CG1-CB 3.83Å; V819-Q893 HydrophobicContact CG2-CB 3.79Å; V819-Q893 HydrophobicContact CG2-CG 4.38Å; H889-Q893 VanDerWaalsContact O-CG 3.32Å; H889-Q893 WeakPolarHBondContact O-CG 3.36Å; H889-Q893 PolarHBondContact O-N 3.36Å; G890-Q893 PolarHBondContact O-N 3.42Å; I891-Q893 VanDerWaalsContact C-N 3.34Å; I891-Q893 PolarHBondContact O-N 3Å; Q893-V897 VanDerWaalsContact O-CB 3.31Å; Q893-V897 WeakPolarHBondContact O-CB 3.48Å; Q893-V897 WeakPolarHBondContact O-CG2 3.3Å; Q893-V897 PolarHBondContact O-N 3.39Å; Q893-M934 VanDerWaalsContact CA-CE 3.5Å; Q893-M934 HydrophobicContact CB-CE 3.32Å; Q893-M934 HydrophobicContact CB-SD 3.85Å; Q893-M934 HydrophobicContact CG-CE 3.45Å; Q893-M934 VanDerWaalsContact CG-CE 3.45Å; Q893-M934 HydrophobicContact CG-CG 3.96Å; Q893-M934 HydrophobicContact CG-SD 3.52Å; Q893-M934 VanDerWaalsContact CG-SD 3.52Å; Q893-E1003 WeakPolarHBondContact CG-OE1 3.38Å; Q893-E1003 PolarHBondContact NE2-OE1 3.39Å
894	L	94.5	Very high	91.8	Very high	26 Å²	26	30.3 Å²	30.3	14%	0.136	17%	0.166	C	C	.	.	H	α-helix	trans	-64.1	-44.3	176.5	-72.8	166.7	0	0	0	112.2	V819 L822 V823 G890 I891 Y892 V897 F898	V819-L894 HydrophobicContact CG1-CD2 4.18Å; V819-L894 HydrophobicContact CG1-CG 4.37Å; V819-L894 HydrophobicContact CG2-CG 4.47Å; L822-L894 HydrophobicContact CB-CD2 3.75Å; L822-L894 HydrophobicContact CD1-CD1 3.67Å; L822-L894 HydrophobicContact CD1-CD2 4.39Å; V823-L894 HydrophobicContact CG2-CD2 3.92Å; G890-L894 WeakPolarHBondContact O-CB 3.32Å; G890-L894 WeakPolarHBondContact O-CD1 3.15Å; G890-L894 WeakPolarHBondContact O-CG 3.4Å; G890-L894 PolarHBondContact O-N 3.4Å; I891-L894 PolarHBondContact O-N 2.96Å; Y892-L894 VanDerWaalsContact C-N 3.34Å; Y892-L894 PolarHBondContact O-N 3.32Å; L894-V897 PolarHBondContact O-N 2.78Å; L894-F898 HydrophobicContact CB-CD2 4.27Å; L894-F898 HydrophobicContact CB-CE2 4.05Å; L894-F898 HydrophobicContact CD2-CE2 3.82Å; L894-F898 HydrophobicContact CD2-CZ 3.83Å; L894-F898 HydrophobicContact CG-CE2 4.48Å; L894-F898 VanDerWaalsContact O-CB 3.29Å; L894-F898 WeakPolarHBondContact O-CB 3.36Å; L894-F898 WeakPolarHBondContact O-CD2 3.29Å; L894-F898 VanDerWaalsContact O-CG 3.23Å; L894-F898 WeakPolarHBondContact O-CG 3.44Å; L894-F898 PolarHBondContact O-N 2.93Å
895	V	94.8	Very high	91.5	Very high	83 Å²	83	31.2 Å²	31.2	50%	0.503	17%	0.172	S	C	.	.	H	α-helix	trans	-61.5	-49.1	178.9	169.7	0	0	0	0	110.3	I891 Y892 F898 V899	I891-V895 HydrophobicContact CG2-CG2 4.3Å; I891-V895 WeakPolarHBondContact O-CB 3.26Å; I891-V895 VanDerWaalsContact O-CG2 3.26Å; I891-V895 WeakPolarHBondContact O-CG2 3.26Å; I891-V895 PolarHBondContact O-N 2.91Å; Y892-V895 PolarHBondContact O-N 3.16Å; V895-F898 PolarHBondContact O-N 2.84Å; V895-V899 HydrophobicContact CG1-CG2 4.37Å; V895-V899 WeakPolarHBondContact O-CB 3.29Å; V895-V899 WeakPolarHBondContact O-CG2 3.42Å; V895-V899 PolarHBondContact O-N 2.97Å
896	V	94.5	Very high	91.3	Very high	14 Å²	14	40.8 Å²	40.8	9%	0.085	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-49.5	179.1	173.2	0	0	0	0	110.8	Y892 F898 V899 L900 V930 F999	Y892-V896 HydrophobicContact CD1-CG2 4.23Å; Y892-V896 HydrophobicContact CD2-CG2 4.46Å; Y892-V896 HydrophobicContact CE1-CG2 3.82Å; Y892-V896 HydrophobicContact CE2-CG2 4.07Å; Y892-V896 WeakPolarHBondContact O-CG2 3.24Å; Y892-V896 PolarHBondContact O-N 3.38Å; V896-F898 PolarHBondContact O-N 2.98Å; V896-V899 PolarHBondContact O-N 3.46Å; V896-L900 HydrophobicContact CG1-CD1 4.01Å; V896-L900 VanDerWaalsContact O-CG 3.3Å; V896-L900 WeakPolarHBondContact O-CG 3.3Å; V896-L900 PolarHBondContact O-N 3.45Å; V896-V930 HydrophobicContact CG1-CG1 3.84Å; V896-F999 HydrophobicContact CG1-CB 4.05Å; V896-F999 HydrophobicContact CG1-CD1 4.08Å; V896-F999 HydrophobicContact CG1-CG 4.01Å; V896-F999 HydrophobicContact CG2-CD1 4.49Å
897	V	92.8	Very high	91	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-41.8	-178.9	171.3	0	0	0	0	111.3	V823 Q893 L894 L900 L901 I927 F931 M934	V823-V897 HydrophobicContact CG1-CG1 3.93Å; V823-V897 HydrophobicContact CG2-CB 4.29Å; V823-V897 HydrophobicContact CG2-CG1 3.73Å; Q893-V897 VanDerWaalsContact O-CB 3.31Å; Q893-V897 WeakPolarHBondContact O-CB 3.48Å; Q893-V897 WeakPolarHBondContact O-CG2 3.3Å; Q893-V897 PolarHBondContact O-N 3.39Å; L894-V897 PolarHBondContact O-N 2.78Å; V897-L900 PolarHBondContact O-N 3.03Å; V897-L901 WeakPolarHBondContact O-CB 3.29Å; V897-L901 PolarHBondContact O-N 3.25Å; V897-I927 HydrophobicContact CG1-CG2 4.12Å; V897-F931 HydrophobicContact CG2-CD2 4.24Å; V897-M934 HydrophobicContact CG2-CE 4.16Å
898	F	92.3	Very high	90.7	Very high	48 Å²	48	44.6 Å²	44.6	21%	0.211	22%	0.224	C	C	.	.	H	α-helix	trans	-71.5	-35.9	178.3	-67.3	-35.2	0	0	0	113.3	V823 V826 L894 V895 V896 L900 L901 F902	V823-F898 HydrophobicContact CG2-CE1 4.48Å; V826-F898 HydrophobicContact CB-CE1 3.78Å; V826-F898 HydrophobicContact CB-CZ 3.68Å; V826-F898 HydrophobicContact CG1-CD1 4.4Å; V826-F898 HydrophobicContact CG1-CE1 3.65Å; V826-F898 HydrophobicContact CG1-CZ 3.73Å; V826-F898 HydrophobicContact CG2-CE1 4.45Å; V826-F898 HydrophobicContact CG2-CZ 3.84Å; L894-F898 HydrophobicContact CB-CD2 4.27Å; L894-F898 HydrophobicContact CB-CE2 4.05Å; L894-F898 HydrophobicContact CD2-CE2 3.82Å; L894-F898 HydrophobicContact CD2-CZ 3.83Å; L894-F898 HydrophobicContact CG-CE2 4.48Å; L894-F898 VanDerWaalsContact O-CB 3.29Å; L894-F898 WeakPolarHBondContact O-CB 3.36Å; L894-F898 WeakPolarHBondContact O-CD2 3.29Å; L894-F898 VanDerWaalsContact O-CG 3.23Å; L894-F898 WeakPolarHBondContact O-CG 3.44Å; L894-F898 PolarHBondContact O-N 2.93Å; V895-F898 PolarHBondContact O-N 2.84Å; V896-F898 PolarHBondContact O-N 2.98Å; F898-L900 VanDerWaalsContact C-N 3.33Å; F898-L901 HydrophobicContact CD1-CD2 4.17Å; F898-L901 PolarHBondContact O-N 3.13Å; F898-F902 HydrophobicContact CB-CD2 4.31Å; F898-F902 HydrophobicContact CB-CE2 4.41Å; F898-F902 HydrophobicContact CD1-CE2 4.41Å; F898-F902 VanDerWaalsContact O-CD2 3.28Å; F898-F902 WeakPolarHBondContact O-CD2 3.21Å; F898-F902 PolarHBondContact O-N 2.99Å
899	V	92.6	Very high	90.2	Very high	75 Å²	75	51.5 Å²	51.5	46%	0.455	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-45.6	172.4	168	0	0	0	0	110	V895 V896 L901 A903 G904	V895-V899 HydrophobicContact CG1-CG2 4.37Å; V895-V899 WeakPolarHBondContact O-CB 3.29Å; V895-V899 WeakPolarHBondContact O-CG2 3.42Å; V895-V899 PolarHBondContact O-N 2.97Å; V896-V899 PolarHBondContact O-N 3.46Å; V899-L901 VanDerWaalsContact C-N 3.33Å; V899-L901 PolarHBondContact O-N 2.92Å; V899-A903 CarbonylContact O-C 3.54Å; V899-A903 WeakPolarHBondContact O-CA 3.31Å; V899-A903 WeakPolarHBondContact O-CB 3.28Å; V899-A903 PolarHBondContact O-N 3.32Å; V899-G904 PolarHBondContact O-N 3.42Å
900	L	91.4	Very high	89.6	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-38	175.1	-67.4	175.7	0	0	0	111.9	V896 V897 F898 G904 F908 H923 L926 I927 V930 F999	V896-L900 HydrophobicContact CG1-CD1 4.01Å; V896-L900 VanDerWaalsContact O-CG 3.3Å; V896-L900 WeakPolarHBondContact O-CG 3.3Å; V896-L900 PolarHBondContact O-N 3.45Å; V897-L900 PolarHBondContact O-N 3.03Å; F898-L900 VanDerWaalsContact C-N 3.33Å; L900-G904 WeakPolarHBondContact O-CA 3.23Å; L900-G904 PolarHBondContact O-N 2.95Å; L900-F908 HydrophobicContact CD2-CE2 3.64Å; L900-F908 HydrophobicContact CD2-CZ 4.47Å; L900-H923 PolarHBondContact O-CE1 2.65Å; L900-H923 PolarHBondContact O-NE2 3.15Å; L900-L926 HydrophobicContact CD2-CD2 4.24Å; L900-I927 HydrophobicContact CB-CG1 3.97Å; L900-V930 HydrophobicContact CD1-CB 3.9Å; L900-V930 HydrophobicContact CD1-CG1 3.75Å; L900-V930 HydrophobicContact CD1-CG2 3.72Å; L900-F999 HydrophobicContact CD1-CD2 4.49Å; L900-F999 HydrophobicContact CD2-CE2 4Å; L900-F999 HydrophobicContact CD2-CZ 4.43Å
901	L	88.6	Confident	89	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-48	-179.5	-173.8	62.6	0	0	0	112.7	I831 P835 V897 F898 V899 H923 F924 I927	I831-L901 HydrophobicContact CD1-CD1 3.41Å; I831-L901 VanDerWaalsContact CD1-CD1 3.41Å; I831-L901 HydrophobicContact CD1-CD2 3.7Å; I831-L901 HydrophobicContact CD1-CG 3.53Å; P835-L901 HydrophobicContact CB-CD1 3.65Å; P835-L901 HydrophobicContact CG-CD1 4.28Å; V897-L901 WeakPolarHBondContact O-CB 3.29Å; V897-L901 PolarHBondContact O-N 3.25Å; F898-L901 HydrophobicContact CD1-CD2 4.17Å; F898-L901 PolarHBondContact O-N 3.13Å; V899-L901 VanDerWaalsContact C-N 3.33Å; V899-L901 PolarHBondContact O-N 2.92Å; L901-H923 PolarHBondContact O-NE2 3.21Å; L901-F924 HydrophobicContact CD1-CE1 4.28Å; L901-I927 HydrophobicContact CB-CD1 4.36Å; L901-I927 HydrophobicContact CD1-CD1 3.84Å
902	F	88	Confident	88.4	Confident	104 Å²	104	54 Å²	54	46%	0.456	28%	0.275	S	S	.	.	H	α-helix	trans	-96.2	-22.3	-172.6	-66.6	-63.7	0	0	0	114.8	F898	F898-F902 HydrophobicContact CB-CD2 4.31Å; F898-F902 HydrophobicContact CB-CE2 4.41Å; F898-F902 HydrophobicContact CD1-CE2 4.41Å; F898-F902 VanDerWaalsContact O-CD2 3.28Å; F898-F902 WeakPolarHBondContact O-CD2 3.21Å; F898-F902 PolarHBondContact O-N 2.99Å
903	A	88.8	Confident	87.5	Confident	40 Å²	40	52.3 Å²	52.3	33%	0.331	27%	0.268	S	S	.	.	H	α-helix	trans	-128.2	-1.3	-176.8	0	0	0	0	0	113.8	V899 D905 R906 L907	V899-A903 CarbonylContact O-C 3.54Å; V899-A903 WeakPolarHBondContact O-CA 3.31Å; V899-A903 WeakPolarHBondContact O-CB 3.28Å; V899-A903 PolarHBondContact O-N 3.32Å; A903-D905 VanDerWaalsContact C-N 3.3Å; A903-D905 PolarHBondContact O-N 3.35Å; A903-R906 PolarHBondContact O-N 2.97Å; A903-L907 WeakPolarHBondContact O-CB 3.31Å; A903-L907 PolarHBondContact O-N 3.26Å
904	G	84.4	Confident	86.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.6	-30.3	-177.5	0	0	0	0	0	114	V899 L900 L907 F908	V899-G904 PolarHBondContact O-N 3.42Å; L900-G904 WeakPolarHBondContact O-CA 3.23Å; L900-G904 PolarHBondContact O-N 2.95Å; G904-L907 PolarHBondContact O-N 2.91Å; G904-F908 WeakPolarHBondContact O-CD2 3.38Å; G904-F908 PolarHBondContact O-N 3.39Å; G904-F908 VanDerWaalsContact O-N 3.11Å
905	D	83.1	Confident	85.5	Confident	33 Å²	33	57.7 Å²	57.7	18%	0.176	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-45.6	174.2	59.2	-18.2	0	0	0	111.2	A903 D909 I910 S912 H923	A903-D905 VanDerWaalsContact C-N 3.3Å; A903-D905 PolarHBondContact O-N 3.35Å; D905-D909 WeakPolarHBondContact O-CA 3.27Å; D905-D909 PolarHBondContact O-N 3.44Å; D905-D909 VanDerWaalsContact O-N 3.1Å; D905-I910 WeakPolarHBondContact CA-O 3.25Å; D905-I910 WeakPolarHBondContact CB-O 3.3Å; D905-I910 PolarHBondContact O-N 2.8Å; D905-I910 VanDerWaalsContact O-N 3.09Å; D905-S912 WeakPolarHBondContact OD2-CB 3.43Å; D905-S912 PolarHBondContact OD2-OG 2.95Å; D905-H923 PolarHBondContact N-CE1 2.87Å
906	R	85.3	Confident	84.3	Confident	217 Å²	217	59.6 Å²	59.6	82%	0.819	31%	0.31	S	S	*	.	H	α-helix	trans	-74.5	-34.8	176.7	-63.3	-179.4	-172.7	171.7	2.3	113.2	A903	A903-R906 PolarHBondContact O-N 2.97Å
907	L	85.5	Confident	82.9	Confident	107 Å²	107	62.9 Å²	62.9	56%	0.56	32%	0.321	S	S	*	.	H	α-helix	trans	-71.6	-34.4	-175.3	-161.5	81.4	0	0	0	111.9	A903 G904	A903-L907 WeakPolarHBondContact O-CB 3.31Å; A903-L907 PolarHBondContact O-N 3.26Å; G904-L907 PolarHBondContact O-N 2.91Å
908	F	84.2	Confident	81.6	Confident	34 Å²	34	65.4 Å²	65.4	15%	0.149	34%	0.337	C	S	.	.	H	α-helix	trans	-112.5	2.8	-175.7	-63.8	-65.9	0	0	0	114.5	L900 G904 I910 L926 W995 F999	L900-F908 HydrophobicContact CD2-CE2 3.64Å; L900-F908 HydrophobicContact CD2-CZ 4.47Å; G904-F908 WeakPolarHBondContact O-CD2 3.38Å; G904-F908 PolarHBondContact O-N 3.39Å; G904-F908 VanDerWaalsContact O-N 3.11Å; F908-I910 VanDerWaalsContact C-N 3.33Å; F908-I910 HydrophobicContact CB-CD1 3.51Å; F908-I910 HydrophobicContact CB-CG1 3.73Å; F908-I910 HydrophobicContact CG-CD1 4.38Å; F908-I910 PolarHBondContact O-N 3.41Å; F908-L926 HydrophobicContact CD2-CD2 3.52Å; F908-L926 HydrophobicContact CE2-CD2 3.62Å; F908-L926 HydrophobicContact CG-CD2 4.36Å; F908-W995 HydrophobicContact CD1-CG 4.47Å; F908-W995 HydrophobicContact CE1-CB 3.86Å; F908-W995 AromaticContact CE1-CD1 3.4Å; F908-W995 AromaticContact CE1-CD2 3.84Å; F908-W995 HydrophobicContact CE1-CD2 3.84Å; F908-W995 AromaticContact CE1-CG 3.43Å; F908-W995 HydrophobicContact CE1-CG 3.43Å; F908-W995 VanDerWaalsContact CE1-CG 3.43Å; F908-W995 AromaticContact CE1-NE1 3.77Å; F908-W995 HydrophobicContact CZ-CB 3.95Å; F908-W995 HydrophobicContact CZ-CD2 4.28Å; F908-W995 AromaticContact CZ-CG 3.93Å; F908-W995 HydrophobicContact CZ-CG 3.93Å; F908-F999 HydrophobicContact CZ-CE2 4.08Å
909	D	81.1	Confident	80.7	Confident	158 Å²	158	66.3 Å²	66.3	85%	0.845	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	48.7	-177	-157.9	25.3	0	0	0	111.9	D905	D905-D909 WeakPolarHBondContact O-CA 3.27Å; D905-D909 PolarHBondContact O-N 3.44Å; D905-D909 VanDerWaalsContact O-N 3.1Å
910	I	82	Confident	80	Confident	17 Å²	17	63.7 Å²	63.7	9%	0.087	33%	0.331	C	S	.	.			trans	-115	142.3	-178.7	-54	169.9	0	0	0	108.6	D905 F908 S912 Q922	D905-I910 WeakPolarHBondContact CA-O 3.25Å; D905-I910 WeakPolarHBondContact CB-O 3.3Å; D905-I910 PolarHBondContact O-N 2.8Å; D905-I910 VanDerWaalsContact O-N 3.09Å; F908-I910 VanDerWaalsContact C-N 3.33Å; F908-I910 HydrophobicContact CB-CD1 3.51Å; F908-I910 HydrophobicContact CB-CG1 3.73Å; F908-I910 HydrophobicContact CG-CD1 4.38Å; F908-I910 PolarHBondContact O-N 3.41Å; I910-S912 PolarHBondContact O-N 3.47Å; I910-Q922 HydrophobicContact CG2-CB 3.66Å
911	D	81	Confident	79.7	Confident	105 Å²	105	64.2 Å²	64.2	56%	0.561	33%	0.334	S	S	*	.			trans	-48.9	122.8	169.1	-93.2	17.4	0	0	0	112.1	G913 R916	D911-G913 PolarHBondContact O-N 3.47Å; D911-R916 IonicContact OD2-CZ 3.1Å; D911-R916 IonicContact OD2-NH1 3.55Å; D911-R916 PolarHBondContact OD2-NH1 3.47Å; D911-R916 IonicContact OD2-NH2 3.62Å; D911-R916 PolarHBondContact OD2-NH2 2.66Å
912	S	81.5	Confident	79.7	Confident	35 Å²	35	67.9 Å²	67.9	25%	0.245	35%	0.351	C	S	.	.			trans	-61.3	128.1	177.8	-164.4	0	0	0	0	110.9	D905 I910 I914	D905-S912 WeakPolarHBondContact OD2-CB 3.43Å; D905-S912 PolarHBondContact OD2-OG 2.95Å; I910-S912 PolarHBondContact O-N 3.47Å; S912-I914 VanDerWaalsContact C-N 3.25Å; S912-I914 PolarHBondContact O-N 3.01Å
913	G	76.6	Confident	79.8	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.329	C	S	.	.			trans	-75.4	-14.3	174.2	0	0	0	0	0	113.6	D911 G915 R916 F924	D911-G913 PolarHBondContact O-N 3.47Å; G913-G915 PolarHBondContact O-N 3.42Å; G913-R916 PolarHBondContact O-N 2.97Å; G913-F924 VanDerWaalsContact C-CE2 3.49Å; G913-F924 WeakPolarHBondContact O-CE2 3.46Å
914	I	77.9	Confident	79.8	Confident	72 Å²	72	62 Å²	62	37%	0.369	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	120.4	-175.3	-62.6	174.9	0	0	0	109.6	I831 S912	I831-I914 HydrophobicContact CD1-CD1 4.27Å; I831-I914 HydrophobicContact CD1-CG1 4.16Å; I831-I914 HydrophobicContact CG1-CD1 4.44Å; I831-I914 HydrophobicContact CG1-CG1 4.34Å; I831-I914 HydrophobicContact CG1-CG2 4.39Å; I831-I914 HydrophobicContact CG2-CB 4.45Å; I831-I914 HydrophobicContact CG2-CG1 4.36Å; I831-I914 HydrophobicContact CG2-CG2 4.01Å; S912-I914 VanDerWaalsContact C-N 3.25Å; S912-I914 PolarHBondContact O-N 3.01Å
915	G	69.3	Low	80.1	Confident	66 Å²	66	62 Å²	62	68%	0.68	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-12.1	-178.3	0	0	0	0	0	115.6	G913 R917	G913-G915 PolarHBondContact O-N 3.42Å; G915-R917 PolarHBondContact O-N 2.89Å
916	R	69	Low	80.5	Confident	124 Å²	124	60.6 Å²	60.6	47%	0.468	31%	0.31	S	S	.	.			trans	-93.8	93.4	174.5	-66.5	-176.3	-178.9	166.6	3.2	109.9	D911 G913 T921	D911-R916 IonicContact OD2-CZ 3.1Å; D911-R916 IonicContact OD2-NH1 3.55Å; D911-R916 PolarHBondContact OD2-NH1 3.47Å; D911-R916 IonicContact OD2-NH2 3.62Å; D911-R916 PolarHBondContact OD2-NH2 2.66Å; G913-R916 PolarHBondContact O-N 2.97Å; R916-T921 HydrophobicContact CB-CG2 4.34Å
917	R	65.8	Low	80.8	Confident	82 Å²	82	50.3 Å²	50.3	31%	0.309	27%	0.271	S	S	.	.			trans	-81.4	-33.6	-174.4	-67.3	-172.3	-177.6	165.8	4.4	114.9	D358 E832 K837 G915	D358-R917 IonicContact OD1-NH1 3.85Å; E832-R917 IonicContact OE2-NH2 3.49Å; E832-R917 PolarHBondContact OE2-NH2 3.07Å; E832-R917 VanDerWaalsContact OE2-NH2 3.14Å; K837-R917 PolarHBondContact NZ-O 3.36Å; G915-R917 PolarHBondContact O-N 2.89Å
918	T	64.8	Low	81.1	Confident	55 Å²	55	45.2 Å²	45.2	34%	0.337	24%	0.244	S	C	.	.	S	Bend	trans	-97	-25.9	-169.2	54.7	0	0	0	0	114.2	D113	D113-T918 WeakPolarHBondContact OD1-CB 3.02Å; D113-T918 PolarHBondContact OD1-OG1 3.38Å
919	V	73.8	Confident	81.5	Confident	67 Å²	67	43.6 Å²	43.6	41%	0.406	24%	0.237	S	C	.	.	S	Bend	trans	-100	131.7	-174	-173.2	0	0	0	0	110.4	T921	V919-T921 PolarHBondContact O-N 3.21Å
920	P	78.7	Confident	82.2	Confident	20 Å²	20	36.1 Å²	36.1	13%	0.13	20%	0.197	C	C	.	.			trans	-63.6	133.2	174.3	28.2	-34.9	0	0	0	110	Y981 V986	P920-Y981 HydrophobicContact CG-CD1 3.95Å; P920-Y981 HydrophobicContact CG-CE1 3.73Å; P920-Y981 HydrophobicContact CG-CE2 4.46Å; P920-Y981 HydrophobicContact CG-CG 4.42Å; P920-V986 HydrophobicContact CB-CG2 3.88Å; P920-V986 HydrophobicContact CG-CG2 4.29Å; P920-V986 WeakPolarHBondContact O-CG2 3.07Å
921	T	85.4	Confident	82.7	Confident	12 Å²	12	35.3 Å²	35.3	7%	0.074	19%	0.193	C	C	.	.			trans	-118.5	148.8	-179.2	64.5	0	0	0	0	111.3	R916 V919 H923 F924 T925	R916-T921 HydrophobicContact CB-CG2 4.34Å; V919-T921 PolarHBondContact O-N 3.21Å; T921-H923 PolarHBondContact O-N 3.06Å; T921-F924 WeakPolarHBondContact OG1-CD2 3.45Å; T921-F924 PolarHBondContact OG1-N 2.91Å; T921-T925 PolarHBondContact O-N 2.98Å; T921-T925 VanDerWaalsContact O-N 3.16Å; T921-T925 PolarHBondContact O-OG1 3.37Å
922	Q	87.9	Confident	83.3	Confident	78 Å²	78	30.4 Å²	30.4	36%	0.364	17%	0.167	S	C	.	.	H	α-helix	trans	-62.1	-35	173.7	-73.2	-178	-12.9	0	0	111.4	I910 T925 L926 V986	I910-Q922 HydrophobicContact CG2-CB 3.66Å; Q922-T925 PolarHBondContact O-N 3.34Å; Q922-L926 WeakPolarHBondContact O-CB 3.11Å; Q922-L926 PolarHBondContact O-N 2.93Å; Q922-V986 HydrophobicContact CG-CB 3.88Å; Q922-V986 HydrophobicContact CG-CG1 3.58Å
923	H	89.4	Confident	83.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-54	177.5	-172.4	63.6	0	0	0	113.1	L900 L901 D905 T921 T925 L926 I927	L900-H923 PolarHBondContact O-CE1 2.65Å; L900-H923 PolarHBondContact O-NE2 3.15Å; L901-H923 PolarHBondContact O-NE2 3.21Å; D905-H923 PolarHBondContact N-CE1 2.87Å; T921-H923 PolarHBondContact O-N 3.06Å; H923-T925 VanDerWaalsContact C-N 3.33Å; H923-T925 PolarHBondContact O-N 3.42Å; H923-L926 WeakPolarHBondContact O-CB 3.34Å; H923-L926 PolarHBondContact O-N 2.69Å; H923-I927 WeakPolarHBondContact O-CG1 3.4Å; H923-I927 PolarHBondContact O-N 3.33Å
924	F	88.6	Confident	84.7	Confident	21 Å²	21	29.2 Å²	29.2	9%	0.092	16%	0.158	C	C	.	.	H	α-helix	trans	-69.8	-31.1	178.7	-68.6	-50	0	0	0	112.6	P835 L901 G913 T921 L926 I927 F928	P835-F924 HydrophobicContact CB-CD1 4.14Å; P835-F924 HydrophobicContact CB-CE1 4.09Å; L901-F924 HydrophobicContact CD1-CE1 4.28Å; G913-F924 VanDerWaalsContact C-CE2 3.49Å; G913-F924 WeakPolarHBondContact O-CE2 3.46Å; T921-F924 WeakPolarHBondContact OG1-CD2 3.45Å; T921-F924 PolarHBondContact OG1-N 2.91Å; F924-L926 VanDerWaalsContact C-N 3.33Å; F924-L926 PolarHBondContact O-N 3.47Å; F924-I927 HydrophobicContact CD1-CD1 4.13Å; F924-I927 PolarHBondContact O-N 3.29Å; F924-F928 WeakPolarHBondContact O-CB 3.33Å; F924-F928 PolarHBondContact O-N 3.48Å
925	T	91	Very high	85.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.2	-39.5	174.4	-52	0	0	0	0	111.6	T921 Q922 H923 F928 N929 V976 T985 V986 L988	T921-T925 PolarHBondContact O-N 2.98Å; T921-T925 VanDerWaalsContact O-N 3.16Å; T921-T925 PolarHBondContact O-OG1 3.37Å; Q922-T925 PolarHBondContact O-N 3.34Å; H923-T925 VanDerWaalsContact C-N 3.33Å; H923-T925 PolarHBondContact O-N 3.42Å; T925-F928 PolarHBondContact O-N 2.93Å; T925-N929 WeakPolarHBondContact O-CB 3.25Å; T925-N929 PolarHBondContact O-N 3.15Å; T925-V976 HydrophobicContact CG2-CG1 4.09Å; T925-T985 HydrophobicContact CG2-CG2 3.99Å; T925-T985 WeakPolarHBondContact OG1-CA 3.28Å; T925-V986 WeakPolarHBondContact CG2-O 3.37Å; T925-V986 PolarHBondContact OG1-N 3.24Å; T925-L988 HydrophobicContact CG2-CD1 4.33Å; T925-L988 HydrophobicContact CG2-CD2 4.27Å; T925-L988 HydrophobicContact CG2-CG 4.16Å
926	L	91.5	Very high	86.6	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-61.1	-47.7	174.6	-173.5	77.9	0	0	0	111.2	L900 F908 Q922 H923 F924 F928 N929 V930 Q992 C996	L900-L926 HydrophobicContact CD2-CD2 4.24Å; F908-L926 HydrophobicContact CD2-CD2 3.52Å; F908-L926 HydrophobicContact CE2-CD2 3.62Å; F908-L926 HydrophobicContact CG-CD2 4.36Å; Q922-L926 WeakPolarHBondContact O-CB 3.11Å; Q922-L926 PolarHBondContact O-N 2.93Å; H923-L926 WeakPolarHBondContact O-CB 3.34Å; H923-L926 PolarHBondContact O-N 2.69Å; F924-L926 VanDerWaalsContact C-N 3.33Å; F924-L926 PolarHBondContact O-N 3.47Å; L926-F928 PolarHBondContact O-N 3.08Å; L926-N929 PolarHBondContact O-N 2.9Å; L926-V930 WeakPolarHBondContact O-CB 3.46Å; L926-V930 VanDerWaalsContact O-CG2 3.27Å; L926-V930 WeakPolarHBondContact O-CG2 3.38Å; L926-V930 PolarHBondContact O-N 3.22Å; L926-Q992 HydrophobicContact CD1-CB 4.03Å; L926-Q992 HydrophobicContact CD1-CG 4.39Å; L926-C996 WeakPolarHBondContact CD1-SG 3.37Å
927	I	91.8	Very high	87.7	Confident	1 Å²	1	18 Å²	18	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-60.9	-46.8	178.6	-65.6	166.2	0	0	0	110.7	V897 L900 L901 H923 F924 F931	V897-I927 HydrophobicContact CG1-CG2 4.12Å; L900-I927 HydrophobicContact CB-CG1 3.97Å; L901-I927 HydrophobicContact CB-CD1 4.36Å; L901-I927 HydrophobicContact CD1-CD1 3.84Å; H923-I927 WeakPolarHBondContact O-CG1 3.4Å; H923-I927 PolarHBondContact O-N 3.33Å; F924-I927 HydrophobicContact CD1-CD1 4.13Å; F924-I927 PolarHBondContact O-N 3.29Å; I927-F931 VanDerWaalsContact O-CB 3.31Å; I927-F931 WeakPolarHBondContact O-CB 3.48Å; I927-F931 PolarHBondContact O-N 3.45Å
928	F	91.8	Very high	88.9	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.9	-47.1	176.3	168.7	-114.7	0	0	0	111.9	L836 Q840 W843 V844 F924 T925 L926 F931 V932 I975 T985	L836-F928 HydrophobicContact CD2-CB 3.98Å; L836-F928 HydrophobicContact CD2-CD2 4.15Å; Q840-F928 HydrophobicContact CB-CD2 3.7Å; Q840-F928 HydrophobicContact CB-CE2 3.6Å; Q840-F928 HydrophobicContact CB-CG 4.46Å; Q840-F928 HydrophobicContact CB-CZ 4.29Å; Q840-F928 HydrophobicContact CG-CD1 4.47Å; Q840-F928 HydrophobicContact CG-CD2 3.91Å; Q840-F928 HydrophobicContact CG-CE1 4.45Å; Q840-F928 HydrophobicContact CG-CE2 3.88Å; Q840-F928 HydrophobicContact CG-CG 4.19Å; Q840-F928 HydrophobicContact CG-CZ 4.15Å; W843-F928 AromaticContact CD1-CE2 3.98Å; W843-F928 AromaticContact CD1-CZ 3.6Å; V844-F928 HydrophobicContact CG2-CE2 4.24Å; F924-F928 WeakPolarHBondContact O-CB 3.33Å; F924-F928 PolarHBondContact O-N 3.48Å; T925-F928 PolarHBondContact O-N 2.93Å; L926-F928 PolarHBondContact O-N 3.08Å; F928-F931 PolarHBondContact O-N 3.43Å; F928-V932 HydrophobicContact CD2-CG2 4.06Å; F928-V932 HydrophobicContact CE2-CG2 3.66Å; F928-V932 HydrophobicContact CZ-CG2 4.06Å; F928-V932 WeakPolarHBondContact O-CG2 3.5Å; F928-V932 PolarHBondContact O-N 2.82Å; F928-I975 HydrophobicContact CE1-CG2 4.22Å; F928-T985 HydrophobicContact CD1-CG2 4.08Å; F928-T985 HydrophobicContact CE1-CG2 4.12Å
929	N	93.7	Very high	90.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-67.7	-42.6	-178.2	-165.6	38.5	0	0	0	112.5	T925 L926 F931 V932 L933 Q972 V976 L988 W993	T925-N929 WeakPolarHBondContact O-CB 3.25Å; T925-N929 PolarHBondContact O-N 3.15Å; L926-N929 PolarHBondContact O-N 2.9Å; N929-F931 VanDerWaalsContact C-N 3.32Å; N929-F931 PolarHBondContact O-N 3.48Å; N929-V932 PolarHBondContact O-N 2.83Å; N929-L933 WeakPolarHBondContact O-CB 3.27Å; N929-L933 WeakPolarHBondContact O-CG 3.22Å; N929-L933 PolarHBondContact O-N 3.23Å; N929-Q972 PolarHBondContact OD1-NE2 2.99Å; N929-V976 HydrophobicContact CB-CG2 4.3Å; N929-L988 HydrophobicContact CB-CD1 4.01Å; N929-W993 VanDerWaalsContact ND2-CE3 3.3Å; N929-W993 WeakPolarHBondContact ND2-CH2 3.49Å; N929-W993 WeakPolarHBondContact ND2-CZ3 3.43Å
930	V	93.9	Very high	91	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-60	-44.7	173.9	171.7	0	0	0	0	110.5	V896 L900 L926 M934 C996 F999	V896-V930 HydrophobicContact CG1-CG1 3.84Å; L900-V930 HydrophobicContact CD1-CB 3.9Å; L900-V930 HydrophobicContact CD1-CG1 3.75Å; L900-V930 HydrophobicContact CD1-CG2 3.72Å; L926-V930 WeakPolarHBondContact O-CB 3.46Å; L926-V930 VanDerWaalsContact O-CG2 3.27Å; L926-V930 WeakPolarHBondContact O-CG2 3.38Å; L926-V930 PolarHBondContact O-N 3.22Å; V930-M934 WeakPolarHBondContact O-CB 3.38Å; V930-M934 PolarHBondContact O-N 2.99Å; V930-C996 HydrophobicContact CG2-CB 4Å; V930-F999 HydrophobicContact CG1-CB 4.09Å; V930-F999 HydrophobicContact CG2-CD2 4.34Å
931	F	93.6	Very high	91.6	Very high	1 Å²	1	9 Å²	9	0%	0.004	4%	0.043	C	C	.	.	H	α-helix	trans	-61.4	-50.3	179.7	-176.9	-118.7	0	0	0	111.6	V816 V819 A820 L836 V844 V897 I927 F928 N929 M934 T935	V816-F931 HydrophobicContact CG1-CE1 4.41Å; V816-F931 HydrophobicContact CG1-CE2 4.33Å; V816-F931 HydrophobicContact CG1-CZ 3.69Å; V819-F931 HydrophobicContact CB-CE2 4.22Å; V819-F931 HydrophobicContact CG1-CD2 4.37Å; V819-F931 HydrophobicContact CG1-CE2 3.59Å; V819-F931 HydrophobicContact CG1-CZ 4.4Å; A820-F931 HydrophobicContact CB-CZ 4.1Å; L836-F931 HydrophobicContact CD1-CD1 3.8Å; L836-F931 HydrophobicContact CD1-CE1 3.97Å; L836-F931 HydrophobicContact CD1-CG 4.48Å; V844-F931 HydrophobicContact CG1-CD1 4.47Å; V844-F931 HydrophobicContact CG1-CE1 3.72Å; V844-F931 HydrophobicContact CG1-CZ 4.5Å; V844-F931 HydrophobicContact CG2-CD1 4.2Å; V844-F931 HydrophobicContact CG2-CE1 4.16Å; V897-F931 HydrophobicContact CG2-CD2 4.24Å; I927-F931 VanDerWaalsContact O-CB 3.31Å; I927-F931 WeakPolarHBondContact O-CB 3.48Å; I927-F931 PolarHBondContact O-N 3.45Å; F928-F931 PolarHBondContact O-N 3.43Å; N929-F931 VanDerWaalsContact C-N 3.32Å; N929-F931 PolarHBondContact O-N 3.48Å; F931-M934 HydrophobicContact CD2-CE 4.15Å; F931-M934 PolarHBondContact O-N 2.89Å; F931-T935 HydrophobicContact CD2-CG2 4.47Å; F931-T935 HydrophobicContact CE2-CG2 4.17Å; F931-T935 HydrophobicContact CZ-CG2 4.27Å; F931-T935 VanDerWaalsContact O-CG2 3.26Å; F931-T935 WeakPolarHBondContact O-CG2 3.23Å; F931-T935 PolarHBondContact O-N 3.22Å
932	V	93.4	Very high	91.8	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	4%	0.04	C	C	.	.	H	α-helix	trans	-61.8	-49.7	178.6	175.9	0	0	0	0	111.3	V844 I847 F928 N929 M934 T935 L936 Q972	V844-V932 HydrophobicContact CG2-CG2 3.92Å; I847-V932 HydrophobicContact CD1-CG1 3.91Å; F928-V932 HydrophobicContact CD2-CG2 4.06Å; F928-V932 HydrophobicContact CE2-CG2 3.66Å; F928-V932 HydrophobicContact CZ-CG2 4.06Å; F928-V932 WeakPolarHBondContact O-CG2 3.5Å; F928-V932 PolarHBondContact O-N 2.82Å; N929-V932 PolarHBondContact O-N 2.83Å; V932-M934 PolarHBondContact O-N 2.92Å; V932-T935 PolarHBondContact O-N 2.97Å; V932-T935 VanDerWaalsContact O-N 3.15Å; V932-T935 PolarHBondContact O-OG1 3.44Å; V932-L936 HydrophobicContact CG1-CD1 4.19Å; V932-L936 HydrophobicContact CG1-CG 4.45Å; V932-L936 WeakPolarHBondContact O-CG 3.25Å; V932-L936 PolarHBondContact O-N 3.24Å; V932-Q972 HydrophobicContact CB-CG 4.41Å; V932-Q972 HydrophobicContact CG1-CB 4.47Å; V932-Q972 HydrophobicContact CG1-CG 3.95Å
933	L	93.7	Very high	91.9	Very high	10 Å²	10	5.1 Å²	5.1	5%	0.052	2%	0.024	C	C	.	.	H	α-helix	trans	-61.6	-44	-179	-71.7	172.7	0	0	0	111.7	N929 T935 L936 F937 W993 C996 S1000	N929-L933 WeakPolarHBondContact O-CB 3.27Å; N929-L933 WeakPolarHBondContact O-CG 3.22Å; N929-L933 PolarHBondContact O-N 3.23Å; L933-T935 VanDerWaalsContact C-N 3.29Å; L933-T935 PolarHBondContact O-N 2.76Å; L933-L936 WeakPolarHBondContact O-CB 3.3Å; L933-L936 PolarHBondContact O-N 2.97Å; L933-F937 VanDerWaalsContact O-CD2 3.27Å; L933-F937 WeakPolarHBondContact O-CD2 3.46Å; L933-F937 PolarHBondContact O-N 2.86Å; L933-W993 HydrophobicContact CD1-CE3 4.37Å; L933-W993 HydrophobicContact CD1-CZ3 4Å; L933-C996 HydrophobicContact CD1-CB 3.88Å; L933-S1000 WeakPolarHBondContact CB-OG 3.42Å
934	M	94.2	Very high	91.8	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-59.2	-39.5	176	-175.4	171.3	58.3	0	0	112	Y892 Q893 V897 V930 F931 V932 F937 N938 S1000 E1003	Y892-M934 HydrophobicContact CD1-SD 3.89Å; Y892-M934 HydrophobicContact CE1-SD 3.88Å; Q893-M934 VanDerWaalsContact CA-CE 3.5Å; Q893-M934 HydrophobicContact CB-CE 3.32Å; Q893-M934 HydrophobicContact CB-SD 3.85Å; Q893-M934 HydrophobicContact CG-CE 3.45Å; Q893-M934 VanDerWaalsContact CG-CE 3.45Å; Q893-M934 HydrophobicContact CG-CG 3.96Å; Q893-M934 HydrophobicContact CG-SD 3.52Å; Q893-M934 VanDerWaalsContact CG-SD 3.52Å; V897-M934 HydrophobicContact CG2-CE 4.16Å; V930-M934 WeakPolarHBondContact O-CB 3.38Å; V930-M934 PolarHBondContact O-N 2.99Å; F931-M934 HydrophobicContact CD2-CE 4.15Å; F931-M934 PolarHBondContact O-N 2.89Å; V932-M934 PolarHBondContact O-N 2.92Å; M934-F937 PolarHBondContact O-N 3.29Å; M934-N938 WeakPolarHBondContact O-CB 3.25Å; M934-N938 PolarHBondContact O-N 2.91Å; M934-S1000 PolarHBondContact N-OG 3.42Å; M934-E1003 HydrophobicContact CG-CB 3.98Å; M934-E1003 HydrophobicContact CG-CG 4.02Å
935	T	93	Very high	91.6	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.012	3%	0.027	C	C	.	.	H	α-helix	trans	-64.5	-40.7	173.4	65.6	0	0	0	0	112.1	F812 V816 F931 V932 L933 F937 N938 M939	F812-T935 WeakPolarHBondContact CE2-O 3.47Å; V816-T935 HydrophobicContact CB-CG2 4.35Å; V816-T935 HydrophobicContact CG1-CG2 3.46Å; V816-T935 VanDerWaalsContact CG1-CG2 3.46Å; V816-T935 HydrophobicContact CG2-CG2 3.84Å; F931-T935 HydrophobicContact CD2-CG2 4.47Å; F931-T935 HydrophobicContact CE2-CG2 4.17Å; F931-T935 HydrophobicContact CZ-CG2 4.27Å; F931-T935 VanDerWaalsContact O-CG2 3.26Å; F931-T935 WeakPolarHBondContact O-CG2 3.23Å; F931-T935 PolarHBondContact O-N 3.22Å; V932-T935 PolarHBondContact O-N 2.97Å; V932-T935 VanDerWaalsContact O-N 3.15Å; V932-T935 PolarHBondContact O-OG1 3.44Å; L933-T935 VanDerWaalsContact C-N 3.29Å; L933-T935 PolarHBondContact O-N 2.76Å; T935-F937 VanDerWaalsContact C-N 3.33Å; T935-F937 PolarHBondContact O-N 3.44Å; T935-N938 PolarHBondContact O-N 2.92Å; T935-M939 PolarHBondContact O-N 2.89Å
936	L	93	Very high	91.1	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-64.5	-35.7	176.4	-67.9	175.9	0	0	0	112.6	I847 V932 L933 M939 W965 C968 V969	I847-L936 HydrophobicContact CG2-CD2 4.01Å; V932-L936 HydrophobicContact CG1-CD1 4.19Å; V932-L936 HydrophobicContact CG1-CG 4.45Å; V932-L936 WeakPolarHBondContact O-CG 3.25Å; V932-L936 PolarHBondContact O-N 3.24Å; L933-L936 WeakPolarHBondContact O-CB 3.3Å; L933-L936 PolarHBondContact O-N 2.97Å; L936-M939 VanDerWaalsContact O-CB 3.26Å; L936-M939 WeakPolarHBondContact O-CB 3.33Å; L936-M939 PolarHBondContact O-N 3.25Å; L936-W965 PolarHBondContact O-NE1 2.91Å; L936-C968 HydrophobicContact CD1-CB 4.11Å; L936-C968 HydrophobicContact CD2-CB 3.62Å; L936-V969 HydrophobicContact CD1-CG2 3.81Å
937	F	93.3	Very high	90.1	Very high	25 Å²	25	11.2 Å²	11.2	11%	0.11	6%	0.058	C	C	.	.	H	α-helix	trans	-74.5	-36.8	173.6	-81	-78.3	0	0	0	112.1	L933 M934 T935 M939 F940 W965 L997 S1000 V1001 L1004	L933-F937 VanDerWaalsContact O-CD2 3.27Å; L933-F937 WeakPolarHBondContact O-CD2 3.46Å; L933-F937 PolarHBondContact O-N 2.86Å; M934-F937 PolarHBondContact O-N 3.29Å; T935-F937 VanDerWaalsContact C-N 3.33Å; T935-F937 PolarHBondContact O-N 3.44Å; F937-M939 PolarHBondContact O-N 3.39Å; F937-F940 WeakPolarHBondContact O-CB 3.4Å; F937-F940 PolarHBondContact O-N 3.37Å; F937-F940 VanDerWaalsContact O-N 3.08Å; F937-W965 HydrophobicContact CE1-CZ2 4.35Å; F937-W965 HydrophobicContact CZ-CZ2 4.27Å; F937-L997 HydrophobicContact CE2-CD1 3.97Å; F937-L997 HydrophobicContact CZ-CD1 3.9Å; F937-S1000 WeakPolarHBondContact CB-O 3.48Å; F937-S1000 VanDerWaalsContact CD2-CB 3.46Å; F937-V1001 HydrophobicContact CE1-CG2 4.12Å; F937-V1001 HydrophobicContact CZ-CG2 3.96Å; F937-L1004 HydrophobicContact CB-CD2 4.44Å; F937-L1004 HydrophobicContact CB-CG 4.27Å; F937-L1004 HydrophobicContact CD1-CD1 3.53Å; F937-L1004 HydrophobicContact CD1-CD2 4.35Å; F937-L1004 HydrophobicContact CD1-CG 3.86Å; F937-L1004 HydrophobicContact CE1-CD1 4Å; F937-L1004 HydrophobicContact CG-CG 4.48Å; F937-L1004 WeakPolarHBondContact O-CD2 3.35Å
938	N	91.7	Very high	89.6	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61	-27.8	171.7	-173.1	32.4	0	0	0	112.3	M934 T935 F940 N941 A942 E1003	M934-N938 WeakPolarHBondContact O-CB 3.25Å; M934-N938 PolarHBondContact O-N 2.91Å; T935-N938 PolarHBondContact O-N 2.92Å; N938-F940 PolarHBondContact O-N 3.24Å; N938-N941 PolarHBondContact O-N 3.44Å; N938-N941 VanDerWaalsContact O-N 3.09Å; N938-A942 WeakPolarHBondContact O-CB 3.41Å; N938-A942 PolarHBondContact O-N 2.82Å; N938-E1003 HydrophobicContact CB-CG 4.14Å
939	M	91.5	Very high	88.9	Confident	4 Å²	4	19.2 Å²	19.2	2%	0.02	10%	0.095	C	C	.	.	H	α-helix	trans	-56.3	-32.8	173.7	-162.5	175.9	87.8	0	0	112.7	F812 A852 A855 L856 T935 L936 F937 F961 W965	F812-M939 HydrophobicContact CD2-CB 4.26Å; F812-M939 HydrophobicContact CD2-CG 4.47Å; F812-M939 HydrophobicContact CE2-CB 3.99Å; F812-M939 HydrophobicContact CE2-CG 4.34Å; A852-M939 HydrophobicContact CB-SD 4.48Å; A855-M939 HydrophobicContact CB-CE 4.23Å; A855-M939 HydrophobicContact CB-SD 4.41Å; L856-M939 HydrophobicContact CD1-CG 4.33Å; L856-M939 HydrophobicContact CD2-CG 4.37Å; L856-M939 HydrophobicContact CG-CG 4.42Å; T935-M939 PolarHBondContact O-N 2.89Å; L936-M939 VanDerWaalsContact O-CB 3.26Å; L936-M939 WeakPolarHBondContact O-CB 3.33Å; L936-M939 PolarHBondContact O-N 3.25Å; F937-M939 PolarHBondContact O-N 3.39Å; M939-F961 HydrophobicContact CE-CD1 4.49Å; M939-F961 HydrophobicContact CE-CD2 3.83Å; M939-F961 HydrophobicContact CE-CE1 4.02Å; M939-F961 HydrophobicContact CE-CE2 3.3Å; M939-F961 HydrophobicContact CE-CG 4.39Å; M939-F961 HydrophobicContact CE-CZ 3.4Å; M939-F961 VanDerWaalsContact CE-CZ 3.4Å; M939-F961 HydrophobicContact CG-CE2 3.95Å; M939-F961 HydrophobicContact CG-CZ 4.25Å; M939-F961 HydrophobicContact SD-CE2 4.26Å; M939-W965 HydrophobicContact CE-CB 3.84Å; M939-W965 HydrophobicContact CE-CG 4.14Å
940	F	91	Very high	88.4	Confident	22 Å²	22	24.3 Å²	24.3	10%	0.096	12%	0.123	C	C	.	.	H	α-helix	trans	-68.8	-51	172.7	-76	-82.4	0	0	0	111.4	F937 N938 A942 R943 V951 F952 V955 F961 W965 L1004	F937-F940 WeakPolarHBondContact O-CB 3.4Å; F937-F940 PolarHBondContact O-N 3.37Å; F937-F940 VanDerWaalsContact O-N 3.08Å; N938-F940 PolarHBondContact O-N 3.24Å; F940-A942 VanDerWaalsContact C-N 3.25Å; F940-A942 PolarHBondContact O-N 3.09Å; F940-R943 WeakPolarHBondContact O-CB 3.45Å; F940-R943 PolarHBondContact O-N 3.07Å; F940-V951 HydrophobicContact CB-CG1 3.73Å; F940-V951 WeakPolarHBondContact O-CG1 3.24Å; F940-F952 HydrophobicContact CD1-CD1 4.36Å; F940-F952 HydrophobicContact CD1-CE1 4.23Å; F940-F952 HydrophobicContact CE1-CD1 4.48Å; F940-F952 HydrophobicContact CE1-CE1 4.39Å; F940-V955 HydrophobicContact CD1-CG2 4.4Å; F940-V955 HydrophobicContact CE1-CG1 3.99Å; F940-V955 HydrophobicContact CE1-CG2 4.23Å; F940-F961 AromaticContact CD1-CE1 3.9Å; F940-F961 HydrophobicContact CD1-CE1 3.9Å; F940-F961 HydrophobicContact CD1-CZ 4.04Å; F940-F961 AromaticContact CE1-CE1 3.55Å; F940-F961 HydrophobicContact CE1-CE1 3.55Å; F940-F961 HydrophobicContact CE1-CZ 4.14Å; F940-F961 HydrophobicContact CG-CZ 4.38Å; F940-F961 AromaticContact CZ-CE1 3.96Å; F940-F961 HydrophobicContact CZ-CE1 3.96Å; F940-W965 AromaticContact CE2-CD1 3.81Å; F940-W965 HydrophobicContact CE2-CD2 4.04Å; F940-W965 AromaticContact CE2-CE2 3.53Å; F940-W965 HydrophobicContact CE2-CG 4.2Å; F940-W965 AromaticContact CE2-CZ2 3.95Å; F940-W965 HydrophobicContact CE2-CZ2 3.95Å; F940-W965 AromaticContact CE2-NE1 3.35Å; F940-W965 VanDerWaalsContact CE2-NE1 3.35Å; F940-W965 HydrophobicContact CZ-CD2 4.27Å; F940-W965 HydrophobicContact CZ-CG 4.39Å; F940-L1004 HydrophobicContact CB-CD2 4.02Å
941	N	90.5	Very high	87.9	Confident	9 Å²	9	24.5 Å²	24.5	5%	0.048	12%	0.124	C	C	.	.	H	α-helix	trans	-58.3	-38.7	179.4	-69.5	-28.5	0	0	0	111.9	H889 N938 R943 K944 E1003	H889-N941 PolarHBondContact CE1-ND2 2.92Å; N938-N941 PolarHBondContact O-N 3.44Å; N938-N941 VanDerWaalsContact O-N 3.09Å; N941-R943 PolarHBondContact O-N 2.95Å; N941-K944 PolarHBondContact O-N 2.84Å; N941-E1003 PolarHBondContact ND2-O 3.3Å; N941-E1003 VanDerWaalsContact ND2-O 3.07Å
942	A	89.4	Confident	87.4	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.8	179	0	0	0	0	0	114.6	K808 F812 N938 F940 K944	K808-A942 WeakPolarHBondContact CB-O 3.3Å; F812-A942 HydrophobicContact CB-CB 3.67Å; F812-A942 HydrophobicContact CD2-CB 4.41Å; F812-A942 HydrophobicContact CG-CB 4.5Å; N938-A942 WeakPolarHBondContact O-CB 3.41Å; N938-A942 PolarHBondContact O-N 2.82Å; F940-A942 VanDerWaalsContact C-N 3.25Å; F940-A942 PolarHBondContact O-N 3.09Å; A942-K944 PolarHBondContact O-N 3.33Å
943	R	89.5	Confident	86.8	Confident	8 Å²	8	34 Å²	34	3%	0.03	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.1	176.7	-169.7	177.2	164.7	-141.5	2.3	112.8	K808 E859 F940 N941 E953 R954 V955	K808-R943 VanDerWaalsContact CD-O 3.25Å; K808-R943 WeakPolarHBondContact CD-O 3.38Å; K808-R943 WeakPolarHBondContact CE-O 3.37Å; E859-R943 IonicContact OE1-CZ 2.84Å; E859-R943 IonicContact OE1-NE 2.66Å; E859-R943 PolarHBondContact OE1-NE 3.34Å; E859-R943 IonicContact OE1-NH2 3.54Å; E859-R943 PolarHBondContact OE1-NH2 2.92Å; E859-R943 IonicContact OE2-NE 3.81Å; F940-R943 WeakPolarHBondContact O-CB 3.45Å; F940-R943 PolarHBondContact O-N 3.07Å; N941-R943 PolarHBondContact O-N 2.95Å; R943-E953 PolarHBondContact NH1-O 3.27Å; R943-E953 PolarHBondContact NH2-O 3.14Å; R943-R954 VanDerWaalsContact NH2-C 3.34Å; R943-R954 PolarHBondContact NH2-O 3.49Å; R943-V955 VanDerWaalsContact NH1-N 3.14Å
944	K	87.1	Confident	85.9	Confident	22 Å²	22	36.7 Å²	36.7	10%	0.096	18%	0.176	C	C	.	.			trans	-113.8	120.3	-179.6	-61	-59.1	-164.6	161.5	0	110.4	N941 A942 E948 N950	N941-K944 PolarHBondContact O-N 2.84Å; A942-K944 PolarHBondContact O-N 3.33Å; K944-E948 HydrophobicContact CB-CB 4.35Å; K944-E948 HydrophobicContact CD-CB 4.27Å; K944-E948 VanDerWaalsContact CD-OE2 3.28Å; K944-E948 WeakPolarHBondContact CD-OE2 3.5Å; K944-E948 VanDerWaalsContact CE-OE2 3.3Å; K944-E948 WeakPolarHBondContact CE-OE2 3.33Å; K944-E948 HydrophobicContact CG-CB 4.37Å; K944-E948 IonicContact NZ-OE2 3.92Å; K944-E948 PolarHBondContact NZ-OE2 3.26Å; K944-N950 WeakPolarHBondContact CE-O 3.37Å
945	I	84.8	Confident	85.3	Confident	14 Å²	14	37.4 Å²	37.4	7%	0.072	18%	0.18	C	C	.	.			trans	-102.3	-35.4	-177.1	-45.1	178.9	0	0	0	111.9	A807 K808 Q881 M882 G947	A807-I945 HydrophobicContact CB-CD1 3.4Å; A807-I945 VanDerWaalsContact CB-CD1 3.4Å; K808-I945 HydrophobicContact CB-CD1 4.48Å; K808-I945 HydrophobicContact CG-CD1 3.76Å; K808-I945 HydrophobicContact CG-CG1 3.72Å; Q881-I945 WeakPolarHBondContact CG-O 3.26Å; M882-I945 HydrophobicContact CB-CG2 4.4Å; I945-G947 PolarHBondContact O-N 3.12Å; I945-G947 VanDerWaalsContact O-N 3.17Å
946	H	80.2	Confident	84.7	Confident	92 Å²	92	46.4 Å²	46.4	43%	0.426	22%	0.215	S	C	.	.	S	Bend	trans	-86.7	19.1	-166.8	-55.9	82.8	0	0	0	114.5	D804 R868 Y871	D804-H946 IonicContact OD1-CE1 2.65Å; D804-H946 IonicContact OD2-CE1 3.52Å; R868-H946 PolarHBondContact NH1-CE1 2.94Å; R868-H946 PolarHBondContact NH1-NE2 3.22Å; Y871-H946 PolarHBondContact OH-NE2 2.95Å; Y871-H946 VanDerWaalsContact OH-NE2 3.13Å
947	G	72	Confident	84.1	Confident	23 Å²	23	54.4 Å²	54.4	24%	0.237	25%	0.245	C	C	.	.			trans	78.1	27.2	179.7	0	0	0	0	0	114.1	I945	I945-G947 PolarHBondContact O-N 3.12Å; I945-G947 VanDerWaalsContact O-N 3.17Å
948	E	79.8	Confident	83.5	Confident	71 Å²	71	53.9 Å²	53.9	33%	0.332	24%	0.244	S	C	.	.			trans	-75.5	129.2	174.9	-63.6	172	-150.2	0	0	110.5	K944	K944-E948 HydrophobicContact CB-CB 4.35Å; K944-E948 HydrophobicContact CD-CB 4.27Å; K944-E948 VanDerWaalsContact CD-OE2 3.28Å; K944-E948 WeakPolarHBondContact CD-OE2 3.5Å; K944-E948 VanDerWaalsContact CE-OE2 3.3Å; K944-E948 WeakPolarHBondContact CE-OE2 3.33Å; K944-E948 HydrophobicContact CG-CB 4.37Å; K944-E948 IonicContact NZ-OE2 3.92Å; K944-E948 PolarHBondContact NZ-OE2 3.26Å
949	H	78.1	Confident	83.2	Confident	97 Å²	97	57.9 Å²	57.9	45%	0.449	27%	0.27	S	S	.	.	S	Bend	trans	-71.4	-35	-178.5	-70.4	-76.6	0	0	0	113.3	V951 Q1008	H949-V951 PolarHBondContact O-N 2.97Å; H949-Q1008 PolarHBondContact O-NE2 3.19Å; H949-Q1008 PolarHBondContact O-OE1 2.8Å
950	N	83	Confident	82.9	Confident	108 Å²	108	60.4 Å²	60.4	58%	0.578	28%	0.283	S	S	*	.			trans	-82.9	86.3	-173.9	-68.4	-17.6	0	0	0	112.3	K944 F952 E953	K944-N950 WeakPolarHBondContact CE-O 3.37Å; N950-F952 VanDerWaalsContact C-N 3.34Å; N950-F952 PolarHBondContact O-N 3.47Å; N950-E953 HydrophobicContact CB-CB 3.96Å; N950-E953 PolarHBondContact O-N 2.82Å
951	V	82.2	Confident	82.9	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.024	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-34.4	179.8	-179.9	0	0	0	0	112.3	F940 H949 E953 Q1008	F940-V951 HydrophobicContact CB-CG1 3.73Å; F940-V951 WeakPolarHBondContact O-CG1 3.24Å; H949-V951 PolarHBondContact O-N 2.97Å; V951-E953 VanDerWaalsContact C-N 3.32Å; V951-E953 PolarHBondContact O-N 2.76Å; V951-Q1008 VanDerWaalsContact CG2-NE2 3.32Å
952	F	83.5	Confident	82.9	Confident	131 Å²	131	61 Å²	61	58%	0.575	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.5	-179.8	-60.8	-68.4	0	0	0	114.5	F940 N950 R954 V955 L1004	F940-F952 HydrophobicContact CD1-CD1 4.36Å; F940-F952 HydrophobicContact CD1-CE1 4.23Å; F940-F952 HydrophobicContact CE1-CD1 4.48Å; F940-F952 HydrophobicContact CE1-CE1 4.39Å; N950-F952 VanDerWaalsContact C-N 3.34Å; N950-F952 PolarHBondContact O-N 3.47Å; F952-R954 PolarHBondContact O-N 3.31Å; F952-V955 HydrophobicContact CB-CG2 4.45Å; F952-V955 HydrophobicContact CD1-CG2 4.46Å; F952-V955 WeakPolarHBondContact O-CG2 3.46Å; F952-L1004 HydrophobicContact CZ-CD1 3.94Å
953	E	81	Confident	83	Confident	70 Å²	70	66.1 Å²	66.1	33%	0.327	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	127.7	-179.6	-173.5	177.1	168	0	0	110.3	R943 N950 V951 V955	R943-E953 PolarHBondContact NH1-O 3.27Å; R943-E953 PolarHBondContact NH2-O 3.14Å; N950-E953 HydrophobicContact CB-CB 3.96Å; N950-E953 PolarHBondContact O-N 2.82Å; V951-E953 VanDerWaalsContact C-N 3.32Å; V951-E953 PolarHBondContact O-N 2.76Å; E953-V955 VanDerWaalsContact C-N 3.28Å; E953-V955 PolarHBondContact O-N 3.34Å
954	R	75.9	Confident	83	Confident	68 Å²	68	66.4 Å²	66.4	26%	0.257	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	22.7	175.6	-57.4	154.4	-160.2	-173.1	3.3	115.1	D864 R943 F952 Y956 R957	D864-R954 IonicContact OD2-NH1 3.64Å; R943-R954 VanDerWaalsContact NH2-C 3.34Å; R943-R954 PolarHBondContact NH2-O 3.49Å; F952-R954 PolarHBondContact O-N 3.31Å; R954-Y956 PolarHBondContact O-N 3.25Å; R954-R957 HydrophobicContact CB-CB 4.5Å; R954-R957 PolarHBondContact O-N 2.95Å
955	V	81.3	Confident	83.2	Confident	15 Å²	15	67.5 Å²	67.5	9%	0.091	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-58.5	-42.9	176.2	-169.2	0	0	0	0	110.2	F940 R943 F952 E953 R957 N958 F961	F940-V955 HydrophobicContact CD1-CG2 4.4Å; F940-V955 HydrophobicContact CE1-CG1 3.99Å; F940-V955 HydrophobicContact CE1-CG2 4.23Å; R943-V955 VanDerWaalsContact NH1-N 3.14Å; F952-V955 HydrophobicContact CB-CG2 4.45Å; F952-V955 HydrophobicContact CD1-CG2 4.46Å; F952-V955 WeakPolarHBondContact O-CG2 3.46Å; E953-V955 VanDerWaalsContact C-N 3.28Å; E953-V955 PolarHBondContact O-N 3.34Å; V955-R957 PolarHBondContact O-N 3.45Å; V955-N958 PolarHBondContact O-N 3.49Å; V955-F961 HydrophobicContact CG1-CD1 3.64Å; V955-F961 HydrophobicContact CG1-CE1 3.8Å
956	Y	80.7	Confident	83.6	Confident	190 Å²	190	71.6 Å²	71.6	75%	0.745	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-60.5	-19.7	-178.4	63.6	-95.2	0	0	0	114.6	R954 N958	R954-Y956 PolarHBondContact O-N 3.25Å; Y956-N958 VanDerWaalsContact C-N 3.27Å; Y956-N958 PolarHBondContact O-N 2.92Å
957	R	79.4	Confident	84.2	Confident	169 Å²	169	69.9 Å²	69.9	64%	0.638	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-74.9	-18.1	178.8	-162.7	173.9	-180	-180	-0.3	112.4	R954 V955 P959	R954-R957 HydrophobicContact CB-CB 4.5Å; R954-R957 PolarHBondContact O-N 2.95Å; V955-R957 PolarHBondContact O-N 3.45Å; R957-P959 VanDerWaalsContact O-CD 3.3Å; R957-P959 WeakPolarHBondContact O-CD 3.44Å
958	N	80.2	Confident	85.1	Confident	14 Å²	14	69 Å²	69	8%	0.075	34%	0.335	C	S	.	.			trans	-109.5	86.4	173	-172.9	1.3	0	0	0	109.9	A855 V955 Y956 L960 F961	A855-N958 PolarHBondContact O-ND2 3.49Å; V955-N958 PolarHBondContact O-N 3.49Å; Y956-N958 VanDerWaalsContact C-N 3.27Å; Y956-N958 PolarHBondContact O-N 2.92Å; N958-L960 PolarHBondContact O-N 3.19Å; N958-L960 PolarHBondContact OD1-N 3.28Å; N958-F961 HydrophobicContact CB-CB 4.18Å; N958-F961 WeakPolarHBondContact O-CB 3.38Å; N958-F961 PolarHBondContact O-N 3.47Å
959	P	85.4	Confident	85.7	Confident	84 Å²	84	67 Å²	67	55%	0.545	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-29.6	-177.6	25.2	-34.5	0	0	0	112.4	R957 F961 C962 I963	R957-P959 VanDerWaalsContact O-CD 3.3Å; R957-P959 WeakPolarHBondContact O-CD 3.44Å; P959-F961 VanDerWaalsContact C-N 3.33Å; P959-F961 PolarHBondContact O-N 3.45Å; P959-C962 PolarHBondContact O-N 3.33Å; P959-I963 WeakPolarHBondContact O-CD1 3.21Å; P959-I963 VanDerWaalsContact O-CG1 3.25Å; P959-I963 WeakPolarHBondContact O-CG1 3.46Å; P959-I963 PolarHBondContact O-N 3.49Å
960	L	86.4	Confident	86.5	Confident	57 Å²	57	66.4 Å²	66.4	30%	0.298	33%	0.331	S	S	.	.	H	α-helix	trans	-63.4	-40.2	179.5	-171.7	66	0	0	0	111.6	L854 T858 N958 I963 I964	L854-L960 HydrophobicContact CD1-CD2 4.11Å; L854-L960 HydrophobicContact CG-CD2 4.02Å; T858-L960 HydrophobicContact CG2-CD2 3.82Å; N958-L960 PolarHBondContact O-N 3.19Å; N958-L960 PolarHBondContact OD1-N 3.28Å; L960-I963 PolarHBondContact O-N 2.88Å; L960-I964 HydrophobicContact CD1-CD1 4.09Å; L960-I964 HydrophobicContact CD1-CG1 4.43Å; L960-I964 HydrophobicContact CD2-CD1 4.45Å; L960-I964 HydrophobicContact CG-CD1 3.81Å; L960-I964 HydrophobicContact CG-CG1 4.49Å; L960-I964 WeakPolarHBondContact O-CB 3.4Å; L960-I964 VanDerWaalsContact O-CG1 3.29Å; L960-I964 WeakPolarHBondContact O-CG1 3.21Å; L960-I964 PolarHBondContact O-N 2.89Å
961	F	89.9	Confident	86.9	Confident	3 Å²	3	65 Å²	65	1%	0.013	32%	0.323	C	S	.	.	H	α-helix	trans	-60.2	-47.7	175.7	178.6	-84	0	0	0	111.4	A855 L856 M939 F940 V955 N958 P959 I963 I964 W965	A855-F961 HydrophobicContact CB-CD2 3.98Å; L856-F961 HydrophobicContact CD2-CD2 4.29Å; L856-F961 HydrophobicContact CD2-CE2 3.84Å; M939-F961 HydrophobicContact CE-CD1 4.49Å; M939-F961 HydrophobicContact CE-CD2 3.83Å; M939-F961 HydrophobicContact CE-CE1 4.02Å; M939-F961 HydrophobicContact CE-CE2 3.3Å; M939-F961 HydrophobicContact CE-CG 4.39Å; M939-F961 HydrophobicContact CE-CZ 3.4Å; M939-F961 VanDerWaalsContact CE-CZ 3.4Å; M939-F961 HydrophobicContact CG-CE2 3.95Å; M939-F961 HydrophobicContact CG-CZ 4.25Å; M939-F961 HydrophobicContact SD-CE2 4.26Å; F940-F961 AromaticContact CD1-CE1 3.9Å; F940-F961 HydrophobicContact CD1-CE1 3.9Å; F940-F961 HydrophobicContact CD1-CZ 4.04Å; F940-F961 AromaticContact CE1-CE1 3.55Å; F940-F961 HydrophobicContact CE1-CE1 3.55Å; F940-F961 HydrophobicContact CE1-CZ 4.14Å; F940-F961 HydrophobicContact CG-CZ 4.38Å; F940-F961 AromaticContact CZ-CE1 3.96Å; F940-F961 HydrophobicContact CZ-CE1 3.96Å; V955-F961 HydrophobicContact CG1-CD1 3.64Å; V955-F961 HydrophobicContact CG1-CE1 3.8Å; N958-F961 HydrophobicContact CB-CB 4.18Å; N958-F961 WeakPolarHBondContact O-CB 3.38Å; N958-F961 PolarHBondContact O-N 3.47Å; P959-F961 VanDerWaalsContact C-N 3.33Å; P959-F961 PolarHBondContact O-N 3.45Å; F961-I963 PolarHBondContact O-N 2.89Å; F961-I964 PolarHBondContact O-N 2.99Å; F961-W965 WeakPolarHBondContact O-CB 3.38Å; F961-W965 PolarHBondContact O-N 2.96Å
962	C	90.5	Very high	87.4	Confident	42 Å²	42	64.8 Å²	64.8	28%	0.284	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-43.3	179.3	-63.2	0	0	0	0	112	P959 W965 L966	P959-C962 PolarHBondContact O-N 3.33Å; C962-W965 PolarHBondContact O-N 3.2Å; C962-L966 WeakPolarHBondContact O-CB 3.48Å; C962-L966 VanDerWaalsContact O-CG 3.28Å; C962-L966 WeakPolarHBondContact O-CG 3.25Å; C962-L966 PolarHBondContact O-N 3.31Å
963	I	91.6	Very high	87.8	Confident	107 Å²	107	62.3 Å²	62.3	55%	0.549	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-47.4	179.1	-68.9	164.9	0	0	0	110.5	P959 L960 F961 L966 A967	P959-I963 WeakPolarHBondContact O-CD1 3.21Å; P959-I963 VanDerWaalsContact O-CG1 3.25Å; P959-I963 WeakPolarHBondContact O-CG1 3.46Å; P959-I963 PolarHBondContact O-N 3.49Å; L960-I963 PolarHBondContact O-N 2.88Å; F961-I963 PolarHBondContact O-N 2.89Å; I963-L966 PolarHBondContact O-N 2.89Å; I963-A967 VanDerWaalsContact O-CB 3.25Å; I963-A967 WeakPolarHBondContact O-CB 3.27Å; I963-A967 PolarHBondContact O-N 2.99Å
964	I	90.2	Very high	88.4	Confident	13 Å²	13	62.5 Å²	62.5	7%	0.067	32%	0.319	C	S	.	.	H	α-helix	trans	-64.9	-43.5	-179.6	-68.6	169.8	0	0	0	110.7	L851 L854 A855 L960 F961 A967 C968	L851-I964 HydrophobicContact CB-CG2 4.05Å; L854-I964 HydrophobicContact CB-CD1 4Å; L854-I964 HydrophobicContact CD2-CD1 3.82Å; L854-I964 HydrophobicContact CG-CD1 3.75Å; A855-I964 HydrophobicContact CB-CB 4.24Å; A855-I964 HydrophobicContact CB-CD1 3.92Å; A855-I964 HydrophobicContact CB-CG2 4.13Å; L960-I964 HydrophobicContact CD1-CD1 4.09Å; L960-I964 HydrophobicContact CD1-CG1 4.43Å; L960-I964 HydrophobicContact CD2-CD1 4.45Å; L960-I964 HydrophobicContact CG-CD1 3.81Å; L960-I964 HydrophobicContact CG-CG1 4.49Å; L960-I964 WeakPolarHBondContact O-CB 3.4Å; L960-I964 VanDerWaalsContact O-CG1 3.29Å; L960-I964 WeakPolarHBondContact O-CG1 3.21Å; L960-I964 PolarHBondContact O-N 2.89Å; F961-I964 PolarHBondContact O-N 2.99Å; I964-A967 PolarHBondContact O-N 3.47Å; I964-C968 PolarHBondContact O-N 2.94Å; I964-C968 PolarHBondContact O-SG 3.45Å
965	W	92.2	Very high	89	Confident	46 Å²	46	59.7 Å²	59.7	17%	0.174	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-48.4	178.5	-172.2	87.5	0	0	0	111.8	L936 F937 M939 F940 F961 C962 A967 C968 V969	L936-W965 PolarHBondContact O-NE1 2.91Å; F937-W965 HydrophobicContact CE1-CZ2 4.35Å; F937-W965 HydrophobicContact CZ-CZ2 4.27Å; M939-W965 HydrophobicContact CE-CB 3.84Å; M939-W965 HydrophobicContact CE-CG 4.14Å; F940-W965 AromaticContact CE2-CD1 3.81Å; F940-W965 HydrophobicContact CE2-CD2 4.04Å; F940-W965 AromaticContact CE2-CE2 3.53Å; F940-W965 HydrophobicContact CE2-CG 4.2Å; F940-W965 AromaticContact CE2-CZ2 3.95Å; F940-W965 HydrophobicContact CE2-CZ2 3.95Å; F940-W965 AromaticContact CE2-NE1 3.35Å; F940-W965 VanDerWaalsContact CE2-NE1 3.35Å; F940-W965 HydrophobicContact CZ-CD2 4.27Å; F940-W965 HydrophobicContact CZ-CG 4.39Å; F961-W965 WeakPolarHBondContact O-CB 3.38Å; F961-W965 PolarHBondContact O-N 2.96Å; C962-W965 PolarHBondContact O-N 3.2Å; W965-A967 VanDerWaalsContact C-N 3.31Å; W965-A967 PolarHBondContact O-N 3.47Å; W965-C968 PolarHBondContact O-N 2.91Å; W965-V969 HydrophobicContact CD2-CG2 4.08Å; W965-V969 HydrophobicContact CE3-CG2 4.06Å; W965-V969 HydrophobicContact CH2-CG2 3.8Å; W965-V969 HydrophobicContact CZ2-CG2 3.79Å; W965-V969 HydrophobicContact CZ3-CG2 3.92Å; W965-V969 WeakPolarHBondContact O-CG2 3.38Å; W965-V969 PolarHBondContact O-N 2.89Å
966	L	92.8	Very high	89.5	Confident	100 Å²	100	59 Å²	59	52%	0.524	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-39	176.9	-73.4	170.6	0	0	0	112.1	C962 I963 V969 T970	C962-L966 WeakPolarHBondContact O-CB 3.48Å; C962-L966 VanDerWaalsContact O-CG 3.28Å; C962-L966 WeakPolarHBondContact O-CG 3.25Å; C962-L966 PolarHBondContact O-N 3.31Å; I963-L966 PolarHBondContact O-N 2.89Å; L966-V969 PolarHBondContact O-N 3.41Å; L966-T970 WeakPolarHBondContact O-CB 3.09Å; L966-T970 PolarHBondContact O-N 2.87Å; L966-T970 PolarHBondContact O-OG1 3.22Å
967	A	91.8	Very high	90	Very high	55 Å²	55	53.8 Å²	53.8	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-42.4	175.9	0	0	0	0	0	111.5	I963 I964 W965 T970 L971	I963-A967 VanDerWaalsContact O-CB 3.25Å; I963-A967 WeakPolarHBondContact O-CB 3.27Å; I963-A967 PolarHBondContact O-N 2.99Å; I964-A967 PolarHBondContact O-N 3.47Å; W965-A967 VanDerWaalsContact C-N 3.31Å; W965-A967 PolarHBondContact O-N 3.47Å; A967-T970 PolarHBondContact O-N 3.45Å; A967-L971 VanDerWaalsContact O-CB 3.25Å; A967-L971 WeakPolarHBondContact O-CB 3.33Å; A967-L971 PolarHBondContact O-N 2.77Å
968	C	91.8	Very high	90.5	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.034	29%	0.291	C	S	.	.	H	α-helix	trans	-64.8	-43.8	177.4	-65.6	0	0	0	0	112	L936 I964 W965 L971 Q972	L936-C968 HydrophobicContact CD1-CB 4.11Å; L936-C968 HydrophobicContact CD2-CB 3.62Å; I964-C968 PolarHBondContact O-N 2.94Å; I964-C968 PolarHBondContact O-SG 3.45Å; W965-C968 PolarHBondContact O-N 2.91Å; C968-L971 PolarHBondContact O-N 3.28Å; C968-Q972 VanDerWaalsContact O-CB 3.29Å; C968-Q972 WeakPolarHBondContact O-CB 3.29Å; C968-Q972 PolarHBondContact O-N 3.25Å
969	V	92.8	Very high	90.4	Very high	29 Å²	29	51.1 Å²	51.1	18%	0.176	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-46.3	176.8	173.9	0	0	0	0	110.8	L936 W965 L966 L971 Q972 I973	L936-V969 HydrophobicContact CD1-CG2 3.81Å; W965-V969 HydrophobicContact CD2-CG2 4.08Å; W965-V969 HydrophobicContact CE3-CG2 4.06Å; W965-V969 HydrophobicContact CH2-CG2 3.8Å; W965-V969 HydrophobicContact CZ2-CG2 3.79Å; W965-V969 HydrophobicContact CZ3-CG2 3.92Å; W965-V969 WeakPolarHBondContact O-CG2 3.38Å; W965-V969 PolarHBondContact O-N 2.89Å; L966-V969 PolarHBondContact O-N 3.41Å; V969-L971 PolarHBondContact O-N 3.13Å; V969-Q972 PolarHBondContact O-N 3.45Å; V969-I973 HydrophobicContact CG1-CD1 4.04Å; V969-I973 WeakPolarHBondContact O-CG1 3.46Å; V969-I973 PolarHBondContact O-N 3.23Å
970	T	93.3	Very high	90.3	Very high	85 Å²	85	48.5 Å²	48.5	52%	0.521	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-46.2	178.4	-55.1	0	0	0	0	111.3	L966 A967 Q972 I973 V974	L966-T970 WeakPolarHBondContact O-CB 3.09Å; L966-T970 PolarHBondContact O-N 2.87Å; L966-T970 PolarHBondContact O-OG1 3.22Å; A967-T970 PolarHBondContact O-N 3.45Å; T970-Q972 VanDerWaalsContact C-N 3.32Å; T970-Q972 PolarHBondContact O-N 3.09Å; T970-I973 PolarHBondContact O-N 2.93Å; T970-V974 WeakPolarHBondContact O-CG2 3.33Å; T970-V974 PolarHBondContact O-N 3.35Å
971	L	91.4	Very high	89.8	Confident	77 Å²	77	51 Å²	51	40%	0.403	29%	0.287	S	S	.	.	H	α-helix	trans	-67.1	-35	179.7	-174.1	49.3	0	0	0	111.6	W843 A967 C968 V969 V974 I975	W843-L971 HydrophobicContact CH2-CB 4.2Å; W843-L971 HydrophobicContact CH2-CD2 3.24Å; W843-L971 HydrophobicContact CH2-CG 3.57Å; W843-L971 HydrophobicContact CZ2-CB 4.35Å; W843-L971 HydrophobicContact CZ2-CD2 4.12Å; W843-L971 HydrophobicContact CZ2-CG 3.94Å; W843-L971 HydrophobicContact CZ3-CD2 3.7Å; W843-L971 HydrophobicContact CZ3-CG 4.28Å; A967-L971 VanDerWaalsContact O-CB 3.25Å; A967-L971 WeakPolarHBondContact O-CB 3.33Å; A967-L971 PolarHBondContact O-N 2.77Å; C968-L971 PolarHBondContact O-N 3.28Å; V969-L971 PolarHBondContact O-N 3.13Å; L971-V974 PolarHBondContact O-N 3.5Å; L971-I975 HydrophobicContact CD1-CD1 4.21Å; L971-I975 HydrophobicContact CD1-CG1 4.27Å; L971-I975 HydrophobicContact CG-CD1 4Å; L971-I975 WeakPolarHBondContact O-CB 3.36Å; L971-I975 VanDerWaalsContact O-CG1 3.25Å; L971-I975 WeakPolarHBondContact O-CG1 3.41Å; L971-I975 PolarHBondContact O-N 3.3Å
972	Q	93.1	Very high	89.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.6	-42.6	173.2	-176.6	63.3	15.5	0	0	112	N929 V932 C968 V969 T970 V974 I975 V976	N929-Q972 PolarHBondContact OD1-NE2 2.99Å; V932-Q972 HydrophobicContact CB-CG 4.41Å; V932-Q972 HydrophobicContact CG1-CB 4.47Å; V932-Q972 HydrophobicContact CG1-CG 3.95Å; C968-Q972 VanDerWaalsContact O-CB 3.29Å; C968-Q972 WeakPolarHBondContact O-CB 3.29Å; C968-Q972 PolarHBondContact O-N 3.25Å; V969-Q972 PolarHBondContact O-N 3.45Å; T970-Q972 VanDerWaalsContact C-N 3.32Å; T970-Q972 PolarHBondContact O-N 3.09Å; Q972-V974 VanDerWaalsContact C-N 3.33Å; Q972-V974 PolarHBondContact O-N 3.27Å; Q972-I975 PolarHBondContact O-N 3.07Å; Q972-V976 WeakPolarHBondContact O-CG2 3.47Å; Q972-V976 PolarHBondContact O-N 3.01Å
973	I	92.8	Very high	88.6	Confident	79 Å²	79	54.2 Å²	54.2	41%	0.405	31%	0.305	S	S	.	.	H	α-helix	trans	-60.1	-45.5	174.5	-66.7	164.1	0	0	0	110.2	V969 T970 I975 V976 E977 W993	V969-I973 HydrophobicContact CG1-CD1 4.04Å; V969-I973 WeakPolarHBondContact O-CG1 3.46Å; V969-I973 PolarHBondContact O-N 3.23Å; T970-I973 PolarHBondContact O-N 2.93Å; I973-I975 PolarHBondContact O-N 2.98Å; I973-V976 PolarHBondContact O-N 3.45Å; I973-E977 HydrophobicContact CG2-CG 4.4Å; I973-E977 WeakPolarHBondContact O-CB 3.34Å; I973-E977 WeakPolarHBondContact O-CG 3.38Å; I973-E977 PolarHBondContact O-N 3.33Å; I973-W993 HydrophobicContact CB-CH2 4.41Å; I973-W993 HydrophobicContact CG1-CH2 3.83Å; I973-W993 HydrophobicContact CG1-CZ2 4.4Å; I973-W993 HydrophobicContact CG1-CZ3 4.23Å
974	V	92.3	Very high	88.1	Confident	74 Å²	74	50.1 Å²	50.1	45%	0.448	28%	0.284	S	S	.	.	H	α-helix	trans	-62.2	-43.2	177.7	173.3	0	0	0	0	111.7	T970 L971 Q972 V976 V978	T970-V974 WeakPolarHBondContact O-CG2 3.33Å; T970-V974 PolarHBondContact O-N 3.35Å; L971-V974 PolarHBondContact O-N 3.5Å; Q972-V974 VanDerWaalsContact C-N 3.33Å; Q972-V974 PolarHBondContact O-N 3.27Å; V974-V976 PolarHBondContact O-N 2.95Å; V974-V978 WeakPolarHBondContact O-CA 3.48Å; V974-V978 VanDerWaalsContact O-CB 3.28Å; V974-V978 WeakPolarHBondContact O-CB 3.35Å; V974-V978 PolarHBondContact O-N 2.94Å
975	I	90	Very high	88	Confident	9 Å²	9	49.6 Å²	49.6	5%	0.046	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-38.6	179.3	-71.7	166.5	0	0	0	111.7	W843 F928 L971 Q972 I973 G979 F983 T985	W843-I975 HydrophobicContact CD2-CD1 3.78Å; W843-I975 VanDerWaalsContact CE2-CD1 3.49Å; W843-I975 HydrophobicContact CE3-CD1 4.2Å; W843-I975 HydrophobicContact CG-CD1 4.31Å; W843-I975 HydrophobicContact CH2-CD1 4.26Å; W843-I975 HydrophobicContact CZ2-CD1 3.75Å; W843-I975 HydrophobicContact CZ3-CD1 4.43Å; F928-I975 HydrophobicContact CE1-CG2 4.22Å; L971-I975 HydrophobicContact CD1-CD1 4.21Å; L971-I975 HydrophobicContact CD1-CG1 4.27Å; L971-I975 HydrophobicContact CG-CD1 4Å; L971-I975 WeakPolarHBondContact O-CB 3.36Å; L971-I975 VanDerWaalsContact O-CG1 3.25Å; L971-I975 WeakPolarHBondContact O-CG1 3.41Å; L971-I975 PolarHBondContact O-N 3.3Å; Q972-I975 PolarHBondContact O-N 3.07Å; I973-I975 PolarHBondContact O-N 2.98Å; I975-G979 WeakPolarHBondContact O-CA 3.4Å; I975-G979 PolarHBondContact O-N 3.37Å; I975-F983 HydrophobicContact CD1-CE1 4.38Å; I975-F983 HydrophobicContact CG1-CE1 4.48Å; I975-F983 HydrophobicContact CG1-CE2 4.41Å; I975-F983 HydrophobicContact CG1-CZ 4.31Å; I975-F983 HydrophobicContact CG2-CB 3.97Å; I975-F983 HydrophobicContact CG2-CD1 3.88Å; I975-F983 HydrophobicContact CG2-CD2 4.17Å; I975-F983 HydrophobicContact CG2-CE1 4.41Å; I975-F983 HydrophobicContact CG2-CG 3.74Å; I975-T985 PolarHBondContact O-OG1 3.15Å
976	V	91.7	Very high	87.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-74.2	-41.1	-179.4	171.8	0	0	0	0	111.7	T925 N929 Q972 I973 V974 L988 W993	T925-V976 HydrophobicContact CG2-CG1 4.09Å; N929-V976 HydrophobicContact CB-CG2 4.3Å; Q972-V976 WeakPolarHBondContact O-CG2 3.47Å; Q972-V976 PolarHBondContact O-N 3.01Å; I973-V976 PolarHBondContact O-N 3.45Å; V974-V976 PolarHBondContact O-N 2.95Å; V976-L988 HydrophobicContact CG1-CB 4.38Å; V976-L988 HydrophobicContact CG1-CD1 3.85Å; V976-L988 HydrophobicContact CG1-CG 3.88Å; V976-W993 HydrophobicContact CB-CH2 4.22Å; V976-W993 HydrophobicContact CB-CZ2 3.76Å; V976-W993 HydrophobicContact CG1-CH2 4.39Å; V976-W993 HydrophobicContact CG1-CZ2 3.61Å; V976-W993 HydrophobicContact CG2-CH2 4.31Å; V976-W993 HydrophobicContact CG2-CZ2 4.29Å
977	E	91.3	Very high	87.8	Confident	81 Å²	81	47.6 Å²	47.6	38%	0.379	28%	0.28	S	S	.	.	H	α-helix	trans	-82.2	-33.9	-177.2	-65.1	-57.7	149.5	0	0	113.7	I973 S987 W993	I973-E977 HydrophobicContact CG2-CG 4.4Å; I973-E977 WeakPolarHBondContact O-CB 3.34Å; I973-E977 WeakPolarHBondContact O-CG 3.38Å; I973-E977 PolarHBondContact O-N 3.33Å; E977-S987 WeakPolarHBondContact OE2-CB 3.2Å; E977-W993 PolarHBondContact OE1-NE1 3.14Å
978	V	88.9	Confident	87.7	Confident	117 Å²	117	45.4 Å²	45.4	71%	0.709	26%	0.261	S	S	*	.	H	α-helix	trans	-112.1	-15.9	-172.8	-170.2	0	0	0	0	112.5	V974 G980	V974-V978 WeakPolarHBondContact O-CA 3.48Å; V974-V978 VanDerWaalsContact O-CB 3.28Å; V974-V978 WeakPolarHBondContact O-CB 3.35Å; V974-V978 PolarHBondContact O-N 2.94Å; V978-G980 PolarHBondContact O-N 3.27Å
979	G	79	Confident	87.6	Confident	10 Å²	10	47.8 Å²	47.8	10%	0.103	28%	0.278	C	S	.	.			trans	-67.5	-29.5	-170.1	0	0	0	0	0	115.4	I975 Y981 A982 F983	I975-G979 WeakPolarHBondContact O-CA 3.4Å; I975-G979 PolarHBondContact O-N 3.37Å; G979-Y981 PolarHBondContact O-N 3.39Å; G979-A982 WeakPolarHBondContact O-CB 3.02Å; G979-A982 PolarHBondContact O-N 3.5Å; G979-F983 PolarHBondContact O-N 3.4Å
980	G	81.9	Confident	87.5	Confident	30 Å²	30	53.1 Å²	53.1	31%	0.309	30%	0.304	S	S	.	.	H	α-helix	trans	46.5	-135.2	173.5	0	0	0	0	0	113.7	V978 A982 F984 T985	V978-G980 PolarHBondContact O-N 3.27Å; G980-A982 VanDerWaalsContact C-N 3.26Å; G980-A982 PolarHBondContact O-N 3.36Å; G980-F984 CarbonylContact O-C 3.6Å; G980-F984 WeakPolarHBondContact O-CA 3.24Å; G980-F984 PolarHBondContact O-N 3.49Å; G980-F984 VanDerWaalsContact O-N 3.08Å; G980-T985 CarbonylContact C-O 3.41Å; G980-T985 VanDerWaalsContact CA-O 3.23Å; G980-T985 WeakPolarHBondContact CA-O 3.28Å; G980-T985 PolarHBondContact N-OG1 2.94Å; G980-T985 PolarHBondContact O-N 2.94Å
981	Y	76.6	Confident	87.4	Confident	109 Å²	109	53.6 Å²	53.6	43%	0.427	31%	0.307	S	S	.	.	H	α-helix	trans	-64.2	-24.7	177	-79.7	-84.6	0	0	0	114.2	P920 G979 F983 F984	P920-Y981 HydrophobicContact CG-CD1 3.95Å; P920-Y981 HydrophobicContact CG-CE1 3.73Å; P920-Y981 HydrophobicContact CG-CE2 4.46Å; P920-Y981 HydrophobicContact CG-CG 4.42Å; G979-Y981 PolarHBondContact O-N 3.39Å; Y981-F983 PolarHBondContact O-N 3Å; Y981-F984 PolarHBondContact O-N 2.93Å
982	A	77.1	Confident	87.3	Confident	49 Å²	49	50.7 Å²	50.7	41%	0.405	29%	0.292	S	S	.	.	H	α-helix	trans	-69	-34.6	-177.2	0	0	0	0	0	112.8	G979 G980	G979-A982 WeakPolarHBondContact O-CB 3.02Å; G979-A982 PolarHBondContact O-N 3.5Å; G980-A982 VanDerWaalsContact C-N 3.26Å; G980-A982 PolarHBondContact O-N 3.36Å
983	F	78.8	Confident	87.3	Confident	64 Å²	64	52.7 Å²	52.7	28%	0.281	30%	0.3	S	S	.	.	H	α-helix	trans	-108.2	5.8	176	-72.9	-86.9	0	0	0	113.2	I839 Q840 I975 G979 Y981 T985	I839-F983 HydrophobicContact CG2-CD1 3.87Å; I839-F983 HydrophobicContact CG2-CE1 4.13Å; Q840-F983 WeakPolarHBondContact CG-O 3.3Å; Q840-F983 PolarHBondContact NE2-O 2.82Å; I975-F983 HydrophobicContact CD1-CE1 4.38Å; I975-F983 HydrophobicContact CG1-CE1 4.48Å; I975-F983 HydrophobicContact CG1-CE2 4.41Å; I975-F983 HydrophobicContact CG1-CZ 4.31Å; I975-F983 HydrophobicContact CG2-CB 3.97Å; I975-F983 HydrophobicContact CG2-CD1 3.88Å; I975-F983 HydrophobicContact CG2-CD2 4.17Å; I975-F983 HydrophobicContact CG2-CE1 4.41Å; I975-F983 HydrophobicContact CG2-CG 3.74Å; G979-F983 PolarHBondContact O-N 3.4Å; Y981-F983 PolarHBondContact O-N 3Å; F983-T985 VanDerWaalsContact C-N 3.28Å; F983-T985 HydrophobicContact CB-CG2 4.08Å; F983-T985 PolarHBondContact O-N 2.93Å
984	F	80.8	Confident	87.3	Confident	21 Å²	21	54.4 Å²	54.4	9%	0.092	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	44.8	-170.4	-69.2	-91.6	0	0	0	112.6	K837 I839 Q840 G980 Y981	K837-F984 HydrophobicContact CG-CB 4.35Å; K837-F984 HydrophobicContact CG-CG 4.4Å; I839-F984 HydrophobicContact CD1-CD2 4.07Å; I839-F984 HydrophobicContact CD1-CE2 3.93Å; Q840-F984 PolarHBondContact NE2-O 3.15Å; G980-F984 CarbonylContact O-C 3.6Å; G980-F984 WeakPolarHBondContact O-CA 3.24Å; G980-F984 PolarHBondContact O-N 3.49Å; G980-F984 VanDerWaalsContact O-N 3.08Å; Y981-F984 PolarHBondContact O-N 2.93Å
985	T	87.2	Confident	87.3	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.012	31%	0.306	C	S	.	.			trans	-114.4	146.4	179.3	54.4	0	0	0	0	111.8	T925 F928 I975 G980 F983	T925-T985 HydrophobicContact CG2-CG2 3.99Å; T925-T985 WeakPolarHBondContact OG1-CA 3.28Å; F928-T985 HydrophobicContact CD1-CG2 4.08Å; F928-T985 HydrophobicContact CE1-CG2 4.12Å; I975-T985 PolarHBondContact O-OG1 3.15Å; G980-T985 CarbonylContact C-O 3.41Å; G980-T985 VanDerWaalsContact CA-O 3.23Å; G980-T985 WeakPolarHBondContact CA-O 3.28Å; G980-T985 PolarHBondContact N-OG1 2.94Å; G980-T985 PolarHBondContact O-N 2.94Å; F983-T985 VanDerWaalsContact C-N 3.28Å; F983-T985 HydrophobicContact CB-CG2 4.08Å; F983-T985 PolarHBondContact O-N 2.93Å
986	V	89.3	Confident	87.4	Confident	39 Å²	39	55.7 Å²	55.7	24%	0.236	30%	0.304	C	S	.	.			trans	-117.4	139.9	169.5	-176.7	0	0	0	0	108.2	P920 Q922 T925 L988	P920-V986 HydrophobicContact CB-CG2 3.88Å; P920-V986 HydrophobicContact CG-CG2 4.29Å; P920-V986 WeakPolarHBondContact O-CG2 3.07Å; Q922-V986 HydrophobicContact CG-CB 3.88Å; Q922-V986 HydrophobicContact CG-CG1 3.58Å; T925-V986 WeakPolarHBondContact CG2-O 3.37Å; T925-V986 PolarHBondContact OG1-N 3.24Å; V986-L988 PolarHBondContact O-N 3.5Å
987	S	91.1	Very high	87.4	Confident	64 Å²	64	59.3 Å²	59.3	45%	0.448	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-54.5	136.7	178.3	53.4	0	0	0	0	111.3	E977	E977-S987 WeakPolarHBondContact OE2-CB 3.2Å
988	L	89.6	Confident	87.6	Confident	10 Å²	10	61.7 Å²	61.7	5%	0.052	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-98.6	141.8	-178	-66.9	177.3	0	0	0	109.6	T925 N929 V976 V986 Q992	T925-L988 HydrophobicContact CG2-CD1 4.33Å; T925-L988 HydrophobicContact CG2-CD2 4.27Å; T925-L988 HydrophobicContact CG2-CG 4.16Å; N929-L988 HydrophobicContact CB-CD1 4.01Å; V976-L988 HydrophobicContact CG1-CB 4.38Å; V976-L988 HydrophobicContact CG1-CD1 3.85Å; V976-L988 HydrophobicContact CG1-CG 3.88Å; V986-L988 PolarHBondContact O-N 3.5Å; L988-Q992 HydrophobicContact CB-CB 4.23Å; L988-Q992 HydrophobicContact CD2-CB 4.41Å
989	S	90	Very high	87.8	Confident	54 Å²	54	57.7 Å²	57.7	38%	0.378	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-66.1	156.3	171.9	65.4	0	0	0	0	111.4	T991 Q992 W993	S989-T991 PolarHBondContact O-N 3.46Å; S989-Q992 WeakPolarHBondContact O-CB 3.39Å; S989-Q992 PolarHBondContact O-N 3.21Å; S989-Q992 VanDerWaalsContact OG-CD 3.25Å; S989-Q992 VanDerWaalsContact OG-CG 3.29Å; S989-Q992 WeakPolarHBondContact OG-CG 3.28Å; S989-Q992 PolarHBondContact OG-N 3.2Å; S989-Q992 PolarHBondContact OG-OE1 3.08Å; S989-Q992 VanDerWaalsContact OG-OE1 3.14Å; S989-W993 PolarHBondContact O-N 2.87Å
990	L	90.4	Very high	88.4	Confident	141 Å²	141	57.2 Å²	57.2	74%	0.738	30%	0.3	S	S	*	.	H	α-helix	trans	-55.1	-37.5	175.6	-172.5	69.2	0	0	0	111.9	W993 M994	L990-W993 PolarHBondContact O-N 3.38Å; L990-M994 WeakPolarHBondContact O-CG 3.49Å; L990-M994 PolarHBondContact O-N 2.67Å
991	T	91.4	Very high	89	Confident	95 Å²	95	58.6 Å²	58.6	58%	0.583	30%	0.302	S	S	*	.	H	α-helix	trans	-62.4	-44.7	176.2	-51	0	0	0	0	111.7	S989 M994 W995	S989-T991 PolarHBondContact O-N 3.46Å; T991-M994 PolarHBondContact O-N 3.26Å; T991-W995 PolarHBondContact O-N 3.21Å; T991-W995 VanDerWaalsContact O-N 3.09Å
992	Q	90	Very high	89.8	Confident	17 Å²	17	54.2 Å²	54.2	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-40.4	176.7	-73.4	161.3	-18.3	0	0	111.6	L926 L988 S989 M994 W995 C996	L926-Q992 HydrophobicContact CD1-CB 4.03Å; L926-Q992 HydrophobicContact CD1-CG 4.39Å; L988-Q992 HydrophobicContact CB-CB 4.23Å; L988-Q992 HydrophobicContact CD2-CB 4.41Å; S989-Q992 WeakPolarHBondContact O-CB 3.39Å; S989-Q992 PolarHBondContact O-N 3.21Å; S989-Q992 VanDerWaalsContact OG-CD 3.25Å; S989-Q992 VanDerWaalsContact OG-CG 3.29Å; S989-Q992 WeakPolarHBondContact OG-CG 3.28Å; S989-Q992 PolarHBondContact OG-N 3.2Å; S989-Q992 PolarHBondContact OG-OE1 3.08Å; S989-Q992 VanDerWaalsContact OG-OE1 3.14Å; Q992-M994 VanDerWaalsContact C-N 3.33Å; Q992-M994 PolarHBondContact O-N 3.31Å; Q992-W995 PolarHBondContact O-N 3.48Å; Q992-C996 PolarHBondContact O-N 3.44Å; Q992-C996 PolarHBondContact O-SG 3.49Å
993	W	92.3	Very high	90.5	Very high	42 Å²	42	51.9 Å²	51.9	16%	0.159	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-41.5	172.9	-88.3	108.4	0	0	0	112.6	N929 L933 I973 V976 E977 S989 L990 W995 C996 L997	N929-W993 VanDerWaalsContact ND2-CE3 3.3Å; N929-W993 WeakPolarHBondContact ND2-CH2 3.49Å; N929-W993 WeakPolarHBondContact ND2-CZ3 3.43Å; L933-W993 HydrophobicContact CD1-CE3 4.37Å; L933-W993 HydrophobicContact CD1-CZ3 4Å; I973-W993 HydrophobicContact CB-CH2 4.41Å; I973-W993 HydrophobicContact CG1-CH2 3.83Å; I973-W993 HydrophobicContact CG1-CZ2 4.4Å; I973-W993 HydrophobicContact CG1-CZ3 4.23Å; V976-W993 HydrophobicContact CB-CH2 4.22Å; V976-W993 HydrophobicContact CB-CZ2 3.76Å; V976-W993 HydrophobicContact CG1-CH2 4.39Å; V976-W993 HydrophobicContact CG1-CZ2 3.61Å; V976-W993 HydrophobicContact CG2-CH2 4.31Å; V976-W993 HydrophobicContact CG2-CZ2 4.29Å; E977-W993 PolarHBondContact OE1-NE1 3.14Å; S989-W993 PolarHBondContact O-N 2.87Å; L990-W993 PolarHBondContact O-N 3.38Å; W993-W995 PolarHBondContact O-N 2.98Å; W993-C996 WeakPolarHBondContact O-CB 3.47Å; W993-C996 PolarHBondContact O-N 3.28Å; W993-L997 WeakPolarHBondContact O-CB 3.47Å; W993-L997 PolarHBondContact O-N 3.36Å
994	M	93.2	Very high	91.1	Very high	115 Å²	115	49.9 Å²	49.9	57%	0.567	26%	0.263	S	S	*	.	H	α-helix	trans	-63.9	-39.4	176.1	-71.7	-61.1	-65.5	0	0	112.2	L990 T991 Q992 L997 F998	L990-M994 WeakPolarHBondContact O-CG 3.49Å; L990-M994 PolarHBondContact O-N 2.67Å; T991-M994 PolarHBondContact O-N 3.26Å; Q992-M994 VanDerWaalsContact C-N 3.33Å; Q992-M994 PolarHBondContact O-N 3.31Å; M994-L997 PolarHBondContact O-N 3.16Å; M994-F998 WeakPolarHBondContact O-CB 3.33Å; M994-F998 PolarHBondContact O-N 3.34Å
995	W	92.2	Very high	91.6	Very high	110 Å²	110	54.7 Å²	54.7	42%	0.417	29%	0.289	S	S	.	.	H	α-helix	trans	-66.6	-39.3	172.4	-75.8	114	0	0	0	112.6	F908 T991 Q992 W993 L997 F998 F999	F908-W995 HydrophobicContact CD1-CG 4.47Å; F908-W995 HydrophobicContact CE1-CB 3.86Å; F908-W995 AromaticContact CE1-CD1 3.4Å; F908-W995 AromaticContact CE1-CD2 3.84Å; F908-W995 HydrophobicContact CE1-CD2 3.84Å; F908-W995 AromaticContact CE1-CG 3.43Å; F908-W995 HydrophobicContact CE1-CG 3.43Å; F908-W995 VanDerWaalsContact CE1-CG 3.43Å; F908-W995 AromaticContact CE1-NE1 3.77Å; F908-W995 HydrophobicContact CZ-CB 3.95Å; F908-W995 HydrophobicContact CZ-CD2 4.28Å; F908-W995 AromaticContact CZ-CG 3.93Å; F908-W995 HydrophobicContact CZ-CG 3.93Å; T991-W995 PolarHBondContact O-N 3.21Å; T991-W995 VanDerWaalsContact O-N 3.09Å; Q992-W995 PolarHBondContact O-N 3.48Å; W993-W995 PolarHBondContact O-N 2.98Å; W995-L997 VanDerWaalsContact C-N 3.32Å; W995-L997 PolarHBondContact O-N 3.46Å; W995-F998 HydrophobicContact CE3-CB 4.43Å; W995-F998 AromaticContact CE3-CD1 3.98Å; W995-F998 HydrophobicContact CE3-CD1 3.98Å; W995-F998 HydrophobicContact CE3-CG 4.37Å; W995-F998 HydrophobicContact CZ3-CD1 4Å; W995-F998 HydrophobicContact CZ3-CE1 4.27Å; W995-F998 HydrophobicContact CZ3-CG 4.5Å; W995-F998 WeakPolarHBondContact O-CB 3.44Å; W995-F998 PolarHBondContact O-N 2.94Å; W995-F999 WeakPolarHBondContact O-CD2 3.32Å; W995-F999 PolarHBondContact O-N 3.48Å
996	C	92.3	Very high	91.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-46.5	173.7	-64.6	0	0	0	0	111.2	L926 V930 L933 Q992 W993 F998 S1000	L926-C996 WeakPolarHBondContact CD1-SG 3.37Å; V930-C996 HydrophobicContact CG2-CB 4Å; L933-C996 HydrophobicContact CD1-CB 3.88Å; Q992-C996 PolarHBondContact O-N 3.44Å; Q992-C996 PolarHBondContact O-SG 3.49Å; W993-C996 WeakPolarHBondContact O-CB 3.47Å; W993-C996 PolarHBondContact O-N 3.28Å; C996-F998 VanDerWaalsContact C-N 3.34Å; C996-S1000 WeakPolarHBondContact O-CB 3.44Å; C996-S1000 PolarHBondContact O-N 3.38Å; C996-S1000 PolarHBondContact O-OG 2.99Å
997	L	93	Very high	91.9	Very high	75 Å²	75	57.4 Å²	57.4	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-40.4	176.8	-174	66.1	0	0	0	111.5	F937 W993 M994 W995 S1000 V1001	F937-L997 HydrophobicContact CE2-CD1 3.97Å; F937-L997 HydrophobicContact CZ-CD1 3.9Å; W993-L997 WeakPolarHBondContact O-CB 3.47Å; W993-L997 PolarHBondContact O-N 3.36Å; M994-L997 PolarHBondContact O-N 3.16Å; W995-L997 VanDerWaalsContact C-N 3.32Å; W995-L997 PolarHBondContact O-N 3.46Å; L997-S1000 PolarHBondContact O-N 2.98Å; L997-V1001 HydrophobicContact CD1-CG2 4.12Å; L997-V1001 HydrophobicContact CG-CG2 4.21Å; L997-V1001 WeakPolarHBondContact O-CB 3.3Å; L997-V1001 WeakPolarHBondContact O-CG2 3.43Å; L997-V1001 PolarHBondContact O-N 3.5Å
998	F	94.4	Very high	91.8	Very high	131 Å²	131	57 Å²	57	58%	0.575	29%	0.287	S	S	*	.	H	α-helix	trans	-59.1	-51	178	175.4	-99.2	0	0	0	112.3	M994 W995 C996 S1000 V1001 G1002	M994-F998 WeakPolarHBondContact O-CB 3.33Å; M994-F998 PolarHBondContact O-N 3.34Å; W995-F998 HydrophobicContact CE3-CB 4.43Å; W995-F998 AromaticContact CE3-CD1 3.98Å; W995-F998 HydrophobicContact CE3-CD1 3.98Å; W995-F998 HydrophobicContact CE3-CG 4.37Å; W995-F998 HydrophobicContact CZ3-CD1 4Å; W995-F998 HydrophobicContact CZ3-CE1 4.27Å; W995-F998 HydrophobicContact CZ3-CG 4.5Å; W995-F998 WeakPolarHBondContact O-CB 3.44Å; W995-F998 PolarHBondContact O-N 2.94Å; C996-F998 VanDerWaalsContact C-N 3.34Å; F998-S1000 VanDerWaalsContact C-N 3.26Å; F998-S1000 PolarHBondContact O-N 2.83Å; F998-V1001 PolarHBondContact O-N 3.37Å; F998-G1002 PolarHBondContact O-N 2.96Å
999	F	93.3	Very high	91.8	Very high	34 Å²	34	61 Å²	61	15%	0.149	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-36.7	175.9	-67.1	-57.5	0	0	0	111.9	Y892 V896 L900 F908 V930 W995 G1002 E1003	Y892-F999 PolarHBondContact OH-O 3.2Å; V896-F999 HydrophobicContact CG1-CB 4.05Å; V896-F999 HydrophobicContact CG1-CD1 4.08Å; V896-F999 HydrophobicContact CG1-CG 4.01Å; V896-F999 HydrophobicContact CG2-CD1 4.49Å; L900-F999 HydrophobicContact CD1-CD2 4.49Å; L900-F999 HydrophobicContact CD2-CE2 4Å; L900-F999 HydrophobicContact CD2-CZ 4.43Å; F908-F999 HydrophobicContact CZ-CE2 4.08Å; V930-F999 HydrophobicContact CG1-CB 4.09Å; V930-F999 HydrophobicContact CG2-CD2 4.34Å; W995-F999 WeakPolarHBondContact O-CD2 3.32Å; W995-F999 PolarHBondContact O-N 3.48Å; F999-G1002 PolarHBondContact O-N 3.33Å; F999-E1003 PolarHBondContact O-N 2.87Å
1000	S	92.4	Very high	91.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-73.1	-38.1	-177.9	-53.2	0	0	0	0	113.1	L933 M934 F937 C996 L997 F998 G1002 E1003	L933-S1000 WeakPolarHBondContact CB-OG 3.42Å; M934-S1000 PolarHBondContact N-OG 3.42Å; F937-S1000 WeakPolarHBondContact CB-O 3.48Å; F937-S1000 VanDerWaalsContact CD2-CB 3.46Å; C996-S1000 WeakPolarHBondContact O-CB 3.44Å; C996-S1000 PolarHBondContact O-N 3.38Å; C996-S1000 PolarHBondContact O-OG 2.99Å; L997-S1000 PolarHBondContact O-N 2.98Å; F998-S1000 VanDerWaalsContact C-N 3.26Å; F998-S1000 PolarHBondContact O-N 2.83Å; S1000-G1002 VanDerWaalsContact C-N 3.29Å; S1000-E1003 WeakPolarHBondContact O-CB 3.44Å; S1000-E1003 PolarHBondContact O-N 3.48Å
1001	V	93.6	Very high	91.4	Very high	58 Å²	58	53.9 Å²	53.9	35%	0.352	27%	0.265	S	S	.	.	H	α-helix	trans	-69.6	-31	171.4	172.4	0	0	0	0	110.7	F937 L997 F998 E1003 L1004 L1005	F937-V1001 HydrophobicContact CE1-CG2 4.12Å; F937-V1001 HydrophobicContact CZ-CG2 3.96Å; L997-V1001 HydrophobicContact CD1-CG2 4.12Å; L997-V1001 HydrophobicContact CG-CG2 4.21Å; L997-V1001 WeakPolarHBondContact O-CB 3.3Å; L997-V1001 WeakPolarHBondContact O-CG2 3.43Å; L997-V1001 PolarHBondContact O-N 3.5Å; F998-V1001 PolarHBondContact O-N 3.37Å; V1001-E1003 PolarHBondContact O-N 3.32Å; V1001-L1004 WeakPolarHBondContact O-CB 3.31Å; V1001-L1004 PolarHBondContact O-N 2.92Å; V1001-L1005 PolarHBondContact O-N 3.03Å
1002	G	93.4	Very high	91.1	Very high	17 Å²	17	55 Å²	55	18%	0.175	27%	0.267	C	S	.	.	H	α-helix	trans	-55	-34.2	172.7	0	0	0	0	0	113.4	Y892 F998 F999 S1000 L1004 L1005 W1006	Y892-G1002 WeakPolarHBondContact OH-CA 3.5Å; F998-G1002 PolarHBondContact O-N 2.96Å; F999-G1002 PolarHBondContact O-N 3.33Å; S1000-G1002 VanDerWaalsContact C-N 3.29Å; G1002-L1004 VanDerWaalsContact C-N 3.33Å; G1002-L1004 PolarHBondContact O-N 3.48Å; G1002-L1005 PolarHBondContact O-N 2.97Å; G1002-W1006 WeakPolarHBondContact O-CB 3.39Å; G1002-W1006 PolarHBondContact O-N 3.01Å
1003	E	92.4	Very high	90.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-33.7	175.2	179.1	70.9	147.3	0	0	112.9	H889 Y892 Q893 M934 N938 N941 F999 S1000 V1001 G1007	H889-E1003 IonicContact CE1-OE2 2.82Å; H889-E1003 IonicContact CG-OE1 3.14Å; H889-E1003 IonicContact ND1-OE1 3.83Å; H889-E1003 PolarHBondContact ND1-OE1 3.46Å; H889-E1003 VanDerWaalsContact ND1-OE1 3.12Å; H889-E1003 IonicContact ND1-OE2 3.77Å; H889-E1003 PolarHBondContact ND1-OE2 3.31Å; H889-E1003 VanDerWaalsContact ND1-OE2 3.11Å; Y892-E1003 HydrophobicContact CD1-CB 4.11Å; Y892-E1003 WeakPolarHBondContact CD1-OE2 3.32Å; Y892-E1003 HydrophobicContact CE1-CB 3.82Å; Q893-E1003 WeakPolarHBondContact CG-OE1 3.38Å; Q893-E1003 PolarHBondContact NE2-OE1 3.39Å; M934-E1003 HydrophobicContact CG-CB 3.98Å; M934-E1003 HydrophobicContact CG-CG 4.02Å; N938-E1003 HydrophobicContact CB-CG 4.14Å; N941-E1003 PolarHBondContact ND2-O 3.3Å; N941-E1003 VanDerWaalsContact ND2-O 3.07Å; F999-E1003 PolarHBondContact O-N 2.87Å; S1000-E1003 WeakPolarHBondContact O-CB 3.44Å; S1000-E1003 PolarHBondContact O-N 3.48Å; V1001-E1003 PolarHBondContact O-N 3.32Å; E1003-G1007 PolarHBondContact O-N 3.41Å
1004	L	91	Very high	89.9	Confident	23 Å²	23	59.3 Å²	59.3	12%	0.12	30%	0.297	C	S	.	.	H	α-helix	trans	-65.8	-44.1	173.8	-68.9	177.1	0	0	0	111.4	F937 F940 F952 V1001 G1002 G1007 Q1008	F937-L1004 HydrophobicContact CB-CD2 4.44Å; F937-L1004 HydrophobicContact CB-CG 4.27Å; F937-L1004 HydrophobicContact CD1-CD1 3.53Å; F937-L1004 HydrophobicContact CD1-CD2 4.35Å; F937-L1004 HydrophobicContact CD1-CG 3.86Å; F937-L1004 HydrophobicContact CE1-CD1 4Å; F937-L1004 HydrophobicContact CG-CG 4.48Å; F937-L1004 WeakPolarHBondContact O-CD2 3.35Å; F940-L1004 HydrophobicContact CB-CD2 4.02Å; F952-L1004 HydrophobicContact CZ-CD1 3.94Å; V1001-L1004 WeakPolarHBondContact O-CB 3.31Å; V1001-L1004 PolarHBondContact O-N 2.92Å; G1002-L1004 VanDerWaalsContact C-N 3.33Å; G1002-L1004 PolarHBondContact O-N 3.48Å; L1004-G1007 PolarHBondContact O-N 3.09Å; L1004-Q1008 PolarHBondContact O-N 2.97Å
1005	L	91.4	Very high	88.8	Confident	121 Å²	121	56.3 Å²	56.3	63%	0.634	29%	0.287	S	S	*	.	H	α-helix	trans	-68.2	-41.8	178.5	-65.2	176.8	0	0	0	111.2	V1001 G1002 G1007 Q1008 L1009	V1001-L1005 PolarHBondContact O-N 3.03Å; G1002-L1005 PolarHBondContact O-N 2.97Å; L1005-G1007 VanDerWaalsContact C-N 3.31Å; L1005-G1007 PolarHBondContact O-N 3.1Å; L1005-Q1008 WeakPolarHBondContact O-CB 3.46Å; L1005-Q1008 PolarHBondContact O-N 3.35Å; L1005-L1009 PolarHBondContact O-N 3.29Å
1006	W	92.5	Very high	87.7	Confident	97 Å²	97	58.1 Å²	58.1	37%	0.367	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-40.3	175.5	-171.6	-102.3	0	0	0	111.8	G888 Y892 G1002 Q1008 L1009 V1010	G888-W1006 PolarHBondContact O-NE1 3.15Å; Y892-W1006 VanDerWaalsContact CB-CD1 3.48Å; Y892-W1006 HydrophobicContact CD2-CB 3.92Å; Y892-W1006 AromaticContact CD2-CD2 3.85Å; Y892-W1006 HydrophobicContact CD2-CD2 3.85Å; Y892-W1006 HydrophobicContact CD2-CE3 4.28Å; Y892-W1006 AromaticContact CD2-CG 3.67Å; Y892-W1006 HydrophobicContact CD2-CG 3.67Å; Y892-W1006 HydrophobicContact CE2-CB 4.24Å; Y892-W1006 HydrophobicContact CE2-CG 4.42Å; Y892-W1006 HydrophobicContact CG-CB 4.22Å; Y892-W1006 AromaticContact CG-CD1 3.92Å; Y892-W1006 HydrophobicContact CG-CD2 4.46Å; Y892-W1006 AromaticContact CG-CG 3.94Å; Y892-W1006 HydrophobicContact CG-CG 3.94Å; G1002-W1006 WeakPolarHBondContact O-CB 3.39Å; G1002-W1006 PolarHBondContact O-N 3.01Å; W1006-Q1008 VanDerWaalsContact C-N 3.27Å; W1006-Q1008 PolarHBondContact O-N 3.03Å; W1006-L1009 HydrophobicContact CE3-CD1 3.92Å; W1006-L1009 HydrophobicContact CZ3-CD1 4.22Å; W1006-L1009 WeakPolarHBondContact O-CA 3.44Å; W1006-L1009 WeakPolarHBondContact O-CB 3.16Å; W1006-L1009 PolarHBondContact O-N 3.27Å; W1006-V1010 WeakPolarHBondContact O-CG2 3.41Å; W1006-V1010 PolarHBondContact O-N 3.15Å
1007	G	89.7	Confident	86.4	Confident	2 Å²	2	62 Å²	62	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-54.8	-40.9	173.5	0	0	0	0	0	113.4	H889 E1003 L1004 L1005 L1009 V1010 I1011	H889-G1007 WeakPolarHBondContact CE1-CA 3.44Å; E1003-G1007 PolarHBondContact O-N 3.41Å; L1004-G1007 PolarHBondContact O-N 3.09Å; L1005-G1007 VanDerWaalsContact C-N 3.31Å; L1005-G1007 PolarHBondContact O-N 3.1Å; G1007-L1009 VanDerWaalsContact C-N 3.34Å; G1007-L1009 PolarHBondContact O-N 3.11Å; G1007-V1010 PolarHBondContact O-N 3.46Å; G1007-I1011 WeakPolarHBondContact O-CG1 3.13Å; G1007-I1011 PolarHBondContact O-N 3.26Å; G1007-I1011 VanDerWaalsContact O-N 3.08Å
1008	Q	89.1	Confident	85.1	Confident	56 Å²	56	60 Å²	60	26%	0.262	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-38.3	175	-65	-60.5	-33.5	0	0	112.5	H949 V951 L1004 L1005 W1006 I1011 L1012	H949-Q1008 PolarHBondContact O-NE2 3.19Å; H949-Q1008 PolarHBondContact O-OE1 2.8Å; V951-Q1008 VanDerWaalsContact CG2-NE2 3.32Å; L1004-Q1008 PolarHBondContact O-N 2.97Å; L1005-Q1008 WeakPolarHBondContact O-CB 3.46Å; L1005-Q1008 PolarHBondContact O-N 3.35Å; W1006-Q1008 VanDerWaalsContact C-N 3.27Å; W1006-Q1008 PolarHBondContact O-N 3.03Å; Q1008-I1011 PolarHBondContact O-N 3.13Å; Q1008-L1012 PolarHBondContact O-N 2.91Å
1009	L	89.5	Confident	83.8	Confident	92 Å²	92	57.4 Å²	57.4	48%	0.482	31%	0.31	S	S	.	.	H	α-helix	trans	-65.8	-41.7	174.3	-65.2	174.7	0	0	0	111.9	L1005 W1006 G1007 I1011 L1012 I1013	L1005-L1009 PolarHBondContact O-N 3.29Å; W1006-L1009 HydrophobicContact CE3-CD1 3.92Å; W1006-L1009 HydrophobicContact CZ3-CD1 4.22Å; W1006-L1009 WeakPolarHBondContact O-CA 3.44Å; W1006-L1009 WeakPolarHBondContact O-CB 3.16Å; W1006-L1009 PolarHBondContact O-N 3.27Å; G1007-L1009 VanDerWaalsContact C-N 3.34Å; G1007-L1009 PolarHBondContact O-N 3.11Å; L1009-I1011 PolarHBondContact O-N 3.26Å; L1009-L1012 HydrophobicContact CD2-CD1 4.25Å; L1009-L1012 WeakPolarHBondContact O-CB 3.2Å; L1009-L1012 PolarHBondContact O-N 2.87Å; L1009-L1012 VanDerWaalsContact O-N 3.13Å; L1009-I1013 PolarHBondContact O-N 3.5Å
1010	V	88.5	Confident	82.3	Confident	7 Å²	7	65 Å²	65	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-34.5	176.7	174.7	0	0	0	0	111.3	K884 W1006 G1007 I1013	K884-V1010 WeakPolarHBondContact CE-O 3.43Å; K884-V1010 HydrophobicContact CG-CG1 4.24Å; K884-V1010 PolarHBondContact NZ-O 2.94Å; W1006-V1010 WeakPolarHBondContact O-CG2 3.41Å; W1006-V1010 PolarHBondContact O-N 3.15Å; G1007-V1010 PolarHBondContact O-N 3.46Å; V1010-I1013 PolarHBondContact O-N 3.29Å
1011	I	84.9	Confident	80.8	Confident	39 Å²	39	74.6 Å²	74.6	20%	0.2	38%	0.379	C	S	.	.	H	α-helix	trans	-63.1	-41.8	176.1	-67.9	165.7	0	0	0	111.1	K884 G1007 Q1008 L1009 I1013	K884-I1011 PolarHBondContact NZ-O 2.72Å; K884-I1011 VanDerWaalsContact NZ-O 3.07Å; G1007-I1011 WeakPolarHBondContact O-CG1 3.13Å; G1007-I1011 PolarHBondContact O-N 3.26Å; G1007-I1011 VanDerWaalsContact O-N 3.08Å; Q1008-I1011 PolarHBondContact O-N 3.13Å; L1009-I1011 PolarHBondContact O-N 3.26Å; I1011-I1013 PolarHBondContact O-N 2.92Å
1012	L	83.9	Confident	79.3	Confident	118 Å²	118	74.9 Å²	74.9	62%	0.618	38%	0.377	S	S	*	.	H	α-helix	trans	-63.3	-26.8	-179.6	-67.7	169.1	0	0	0	113.4	Q1008 L1009 P1014	Q1008-L1012 PolarHBondContact O-N 2.91Å; L1009-L1012 HydrophobicContact CD2-CD1 4.25Å; L1009-L1012 WeakPolarHBondContact O-CB 3.2Å; L1009-L1012 PolarHBondContact O-N 2.87Å; L1009-L1012 VanDerWaalsContact O-N 3.13Å; L1012-P1014 WeakPolarHBondContact O-CD 3.25Å
1013	I	82.1	Confident	77.7	Confident	84 Å²	84	77.2 Å²	77.2	43%	0.431	38%	0.384	S	S	.	.	S	Bend	trans	-68.5	120.6	178.6	-59.9	172.2	0	0	0	109.3	K884 L1009 V1010 I1011	K884-I1013 HydrophobicContact CD-CB 4.48Å; K884-I1013 WeakPolarHBondContact CD-O 3.41Å; K884-I1013 PolarHBondContact NZ-O 3.42Å; L1009-I1013 PolarHBondContact O-N 3.5Å; V1010-I1013 PolarHBondContact O-N 3.29Å; I1011-I1013 PolarHBondContact O-N 2.92Å
1014	P	75.6	Confident	76.1	Confident	66 Å²	66	79.6 Å²	79.6	43%	0.429	40%	0.398	S	S	.	.			trans	-71.8	140.1	-175.9	30	-35.9	0	0	0	111.5	L1012 H1016 T1017	L1012-P1014 WeakPolarHBondContact O-CD 3.25Å; P1014-H1016 WeakPolarHBondContact CB-ND1 3.47Å; P1014-H1016 WeakPolarHBondContact CG-CE1 3.48Å; P1014-H1016 PolarHBondContact O-N 3.26Å; P1014-H1016 VanDerWaalsContact O-N 3.12Å; P1014-T1017 HydrophobicContact CG-CG2 4.43Å; P1014-T1017 PolarHBondContact O-N 3.46Å; P1014-T1017 PolarHBondContact O-OG1 3.32Å
1015	S	69.4	Low	74.3	Confident	53 Å²	53	79.2 Å²	79.2	37%	0.371	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-69.8	-9	-170.8	58.2	0	0	0	0	115.5	T1017	S1015-T1017 PolarHBondContact O-N 3.49Å
1016	H	69.2	Low	72.4	Confident	148 Å²	148	76.5 Å²	76.5	69%	0.685	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-72.1	-15.2	177.1	69.4	-98.4	0	0	0	113.2	P1014 L1018	P1014-H1016 WeakPolarHBondContact CB-ND1 3.47Å; P1014-H1016 WeakPolarHBondContact CG-CE1 3.48Å; P1014-H1016 PolarHBondContact O-N 3.26Å; P1014-H1016 VanDerWaalsContact O-N 3.12Å; H1016-L1018 VanDerWaalsContact C-N 3.27Å; H1016-L1018 PolarHBondContact O-N 2.89Å
1017	T	64.7	Low	69.9	Low	81 Å²	81	73.1 Å²	73.1	50%	0.497	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-69.5	-22.4	178.5	52.2	0	0	0	0	113.1	P1014 S1015	P1014-T1017 HydrophobicContact CG-CG2 4.43Å; P1014-T1017 PolarHBondContact O-N 3.46Å; P1014-T1017 PolarHBondContact O-OG1 3.32Å; S1015-T1017 PolarHBondContact O-N 3.49Å
1018	L	66.1	Low	67.5	Low	34 Å²	34	77.4 Å²	77.4	18%	0.178	41%	0.413	C	S	.	.	S	Bend	trans	-91.9	130.8	179.1	-72	164.6	0	0	0	111.7	K884 H1016 M1022	K884-L1018 HydrophobicContact CB-CD1 3.5Å; K884-L1018 VanDerWaalsContact CB-CD1 3.5Å; K884-L1018 HydrophobicContact CG-CD1 3.94Å; H1016-L1018 VanDerWaalsContact C-N 3.27Å; H1016-L1018 PolarHBondContact O-N 2.89Å; L1018-M1022 HydrophobicContact CD2-CE 4.43Å; L1018-M1022 HydrophobicContact CD2-SD 3.94Å
1019	P	68	Low	65.2	Low	76 Å²	76	77.1 Å²	77.1	49%	0.494	42%	0.415	S	S	.	.			trans	-64.3	142.1	-179.6	23.8	-31.1	0	0	0	111.7	K1021 M1022	P1019-K1021 PolarHBondContact O-N 2.96Å; P1019-M1022 HydrophobicContact CG-CG 4.02Å; P1019-M1022 HydrophobicContact CG-SD 3.78Å; P1019-M1022 PolarHBondContact O-N 3.15Å; P1019-M1022 VanDerWaalsContact O-N 3.12Å
1020	R	60.9	Low	62.4	Low	192 Å²	192	78.1 Å²	78.1	73%	0.725	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-56.4	-25.7	-178.1	-53.9	-156.6	164.1	174.8	-2.4	114	R880 M1022 E1023	R880-R1020 VanDerWaalsContact CZ-CG 3.41Å; R1020-M1022 PolarHBondContact O-N 3.21Å; R1020-E1023 PolarHBondContact O-N 2.6Å
1021	K	61.3	Low	59.9	Low	203 Å²	203	81.7 Å²	81.7	88%	0.883	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-65.4	-14.6	-179.1	-65.2	-176.5	178.5	-179.2	0	113.8	P1019 E1023	P1019-K1021 PolarHBondContact O-N 2.96Å; K1021-E1023 VanDerWaalsContact C-N 3.3Å
1022	M	61.6	Low	57	Low	63 Å²	63	85.6 Å²	85.6	31%	0.31	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-84.9	0.6	179.4	-63.2	-179.5	74.9	0	0	113.8	M883 L887 L1018 P1019 R1020 V1024	M883-M1022 WeakPolarHBondContact CE-O 3.42Å; M883-M1022 HydrophobicContact CG-CB 4.34Å; M883-M1022 HydrophobicContact CG-CE 4.05Å; M883-M1022 HydrophobicContact SD-CE 4.43Å; L887-M1022 HydrophobicContact CD1-CE 3.34Å; L1018-M1022 HydrophobicContact CD2-CE 4.43Å; L1018-M1022 HydrophobicContact CD2-SD 3.94Å; P1019-M1022 HydrophobicContact CG-CG 4.02Å; P1019-M1022 HydrophobicContact CG-SD 3.78Å; P1019-M1022 PolarHBondContact O-N 3.15Å; P1019-M1022 VanDerWaalsContact O-N 3.12Å; R1020-M1022 PolarHBondContact O-N 3.21Å; M1022-V1024 PolarHBondContact O-N 3.48Å
1023	E	59.1	Low	54.3	Low	66 Å²	66	84.4 Å²	84.4	31%	0.308	46%	0.459	S	S	.	.			trans	-70.8	112.1	168.8	-73.6	176.6	-156	0	0	109.7	P876 R880 R1020 K1021	P876-E1023 HydrophobicContact CB-CB 4.44Å; P876-E1023 HydrophobicContact CG-CB 4.03Å; P876-E1023 HydrophobicContact CG-CG 4.27Å; R880-E1023 HydrophobicContact CG-CG 3.74Å; R880-E1023 WeakPolarHBondContact CG-OE1 3.42Å; R880-E1023 IonicContact CZ-OE1 3.82Å; R880-E1023 IonicContact NE-OE1 3.21Å; R880-E1023 PolarHBondContact NE-OE1 2.75Å; R880-E1023 IonicContact NH2-OE1 2.84Å; R880-E1023 PolarHBondContact NH2-OE1 3.3Å; R1020-E1023 PolarHBondContact O-N 2.6Å; K1021-E1023 VanDerWaalsContact C-N 3.3Å
1024	V	58.9	Low	51.7	Low	50 Å²	50	88.4 Å²	88.4	30%	0.303	48%	0.481	S	S	.	.			trans	-108.5	141.9	-177.7	-178.5	0	0	0	0	110.1	L316 I878 M883 M1022	L316-V1024 HydrophobicContact CD1-CG1 4.11Å; I878-V1024 HydrophobicContact CD1-CB 4.36Å; M883-V1024 HydrophobicContact CE-CG2 4.24Å; M1022-V1024 PolarHBondContact O-N 3.48Å
1025	G	54.2	Low	49.3	Very low	16 Å²	16	92.1 Å²	92.1	17%	0.165	49%	0.49	C	S	.	.	S	Bend	trans	90.4	13.8	179.5	0	0	0	0	0	115.2
1026	A	51.3	Low	47.4	Very low	64 Å²	64	93 Å²	93	53%	0.529	51%	0.507	S	S	.	.			trans	-77.7	127.6	163.5	0	0	0	0	0	109.2	P876	P876-A1026 HydrophobicContact CB-CB 4.06Å
1027	G	39.5	Very low	45.1	Very low	25 Å²	25	91.1 Å²	91.1	26%	0.258	50%	0.498	S	S	.	.			trans	-177.7	140.5	173.3	0	0	0	0	0	111.3	R315 V1029	R315-G1027 VanDerWaalsContact NH1-C 3.28Å; R315-G1027 PolarHBondContact NH1-O 2.95Å; G1027-V1029 PolarHBondContact O-N 2.96Å
1028	D	39.4	Very low	43.4	Very low	93 Å²	93	94.8 Å²	94.8	50%	0.497	51%	0.509	S	S	.	.			trans	-60.2	122.8	176.2	-74.8	-21.2	0	0	0	108.8	R315 K874 V1030	R315-D1028 VanDerWaalsContact CZ-O 3.24Å; R315-D1028 PolarHBondContact NH1-O 3.27Å; R315-D1028 PolarHBondContact NH2-O 3.23Å; K874-D1028 VanDerWaalsContact CD-OD1 3.29Å; K874-D1028 WeakPolarHBondContact CD-OD1 3.43Å; K874-D1028 WeakPolarHBondContact CE-OD1 3.47Å; K874-D1028 VanDerWaalsContact NZ-CG 3.32Å; K874-D1028 IonicContact NZ-OD1 2.63Å; K874-D1028 PolarHBondContact NZ-OD1 2.53Å; K874-D1028 IonicContact NZ-OD2 2.75Å; K874-D1028 PolarHBondContact NZ-OD2 2.89Å; K874-D1028 VanDerWaalsContact NZ-OD2 3.14Å; D1028-V1030 PolarHBondContact O-N 3.44Å; D1028-V1030 VanDerWaalsContact O-N 3.13Å
1029	V	42	Very low	41.3	Very low	50 Å²	50	98.3 Å²	98.3	30%	0.303	53%	0.534	S	S	.	.			trans	-59.5	119.3	162.6	-178.3	0	0	0	0	104.2	V308 G1027 E1031	V308-V1029 HydrophobicContact CG1-CG2 4.41Å; G1027-V1029 PolarHBondContact O-N 2.96Å; V1029-E1031 PolarHBondContact O-N 3.03Å
1030	V	30.9	Very low	39.5	Very low	112 Å²	112	101.2 Å²	101.2	68%	0.679	54%	0.544	S	S	*	.			trans	-68.7	87.4	171.6	179.3	0	0	0	0	104.9	D1028 I1032	D1028-V1030 PolarHBondContact O-N 3.44Å; D1028-V1030 VanDerWaalsContact O-N 3.13Å; V1030-I1032 PolarHBondContact O-N 3.44Å; V1030-I1032 VanDerWaalsContact O-N 3.15Å
1031	E	34.5	Very low	38	Very low	83 Å²	83	100.6 Å²	100.6	39%	0.388	55%	0.549	S	S	.	.			trans	-54.9	114	156.3	-79.1	163.6	-161.7	0	0	104.4	R743 R873 V1029 P1033	R743-E1031 IonicContact CZ-OE1 2.73Å; R743-E1031 IonicContact CZ-OE2 3.62Å; R743-E1031 VanDerWaalsContact NH1-CD 3.35Å; R743-E1031 IonicContact NH1-OE1 3.77Å; R743-E1031 PolarHBondContact NH1-OE1 3.48Å; R743-E1031 IonicContact NH1-OE2 3.66Å; R743-E1031 PolarHBondContact NH1-OE2 3.36Å; R743-E1031 IonicContact NH2-OE2 3.97Å; R743-E1031 PolarHBondContact NH2-OE2 3.22Å; R873-E1031 IonicContact CZ-OE1 2.64Å; R873-E1031 IonicContact NH1-OE1 2.66Å; R873-E1031 PolarHBondContact NH1-OE1 3.4Å; V1029-E1031 PolarHBondContact O-N 3.03Å; E1031-P1033 WeakPolarHBondContact O-CD 3.32Å
1032	I	24.7	Very low	36.4	Very low	121 Å²	121	96.6 Å²	96.6	62%	0.621	54%	0.544	S	S	*	.			trans	-59.9	111.1	165.5	-59	170.4	0	0	0	103.8	K303 V1030 L1034	K303-I1032 HydrophobicContact CD-CD1 4.17Å; V1030-I1032 PolarHBondContact O-N 3.44Å; V1030-I1032 VanDerWaalsContact O-N 3.15Å; I1032-L1034 PolarHBondContact O-N 2.82Å; I1032-L1034 VanDerWaalsContact O-N 3.17Å
1033	P	26.2	Very low	34.9	Very low	92 Å²	92	101.2 Å²	101.2	60%	0.597	57%	0.57	S	S	*	*			trans	-68.2	122.7	-174.9	27.5	-30.3	0	0	0	107.6	E1031 K1035	E1031-P1033 WeakPolarHBondContact O-CD 3.32Å; P1033-K1035 HydrophobicContact CB-CB 4.28Å; P1033-K1035 PolarHBondContact O-N 3.5Å
1034	L	27.4	Very low	33.5	Very low	168 Å²	168	105.3 Å²	105.3	88%	0.88	59%	0.593	S	S	*	*			trans	-70.2	40.3	160.4	-92.6	153.6	0	0	0	110.6	I1032	I1032-L1034 PolarHBondContact O-N 2.82Å; I1032-L1034 VanDerWaalsContact O-N 3.17Å
1035	K	26.8	Very low	32	Very low	144 Å²	144	111.1 Å²	111.1	63%	0.626	62%	0.621	S	S	*	*			trans	-118.3	111.1	176	-85.9	-178.8	175.1	168.4	0	108.6	E736 P1033	E736-K1035 VanDerWaalsContact OE2-CE 3.25Å; E736-K1035 WeakPolarHBondContact OE2-CE 3.36Å; E736-K1035 IonicContact OE2-NZ 3.78Å; E736-K1035 PolarHBondContact OE2-NZ 3Å; P1033-K1035 HydrophobicContact CB-CB 4.28Å; P1033-K1035 PolarHBondContact O-N 3.5Å
1036	G	28.5	Very low	30.9	Very low	71 Å²	71	114.8 Å²	114.8	73%	0.732	64%	0.644	S	S	*	*			trans	137.6	53.2	164.4	0	0	0	0	0	114.8	Q1038	G1036-Q1038 VanDerWaalsContact C-N 3.31Å; G1036-Q1038 PolarHBondContact O-N 3.05Å; G1036-Q1038 VanDerWaalsContact O-N 3.16Å
1037	F	22.2	Very low	29.9	Very low	110 Å²	110	119.5 Å²	119.5	48%	0.482	66%	0.66	S	S	.	*			trans	-69.5	93.5	151	-105	-99.6	0	0	0	107.8	D297 E298	D297-F1037 VanDerWaalsContact O-CZ 3.25Å; D297-F1037 WeakPolarHBondContact O-CZ 3.43Å; E298-F1037 HydrophobicContact CB-CE2 4.21Å; E298-F1037 HydrophobicContact CB-CZ 3.67Å; E298-F1037 HydrophobicContact CG-CE2 3.55Å; E298-F1037 HydrophobicContact CG-CZ 3.51Å; E298-F1037 VanDerWaalsContact OE1-CE2 3.28Å; E298-F1037 WeakPolarHBondContact OE1-CE2 3.48Å
1038	Q	28	Very low	29.5	Very low	157 Å²	157	124.2 Å²	124.2	73%	0.734	69%	0.686	S	S	*	*			trans	-147.4	125.8	157.3	-79.3	-167.1	-23.2	0	0	107.8	G1036	G1036-Q1038 VanDerWaalsContact C-N 3.31Å; G1036-Q1038 PolarHBondContact O-N 3.05Å; G1036-Q1038 VanDerWaalsContact O-N 3.16Å
1039	P	23	Very low	29	Very low	109 Å²	109	125 Å²	125	71%	0.708	70%	0.697	S	S	*	*			trans	-86.4	111.6	177.7	32.4	-27.2	0	0	0	108.7
1040	I	30.1	Very low	28.6	Very low	137 Å²	137	131.5 Å²	131.5	70%	0.703	72%	0.724	S	S	*	*			trans	-138.7	105.4	168.8	-54.5	179.4	0	0	0	109.8
1041	E	28.9	Very low	28.7	Very low	178 Å²	178	133.2 Å²	133.2	83%	0.832	73%	0.73	S	S	*	*			trans	27.6	140.9	144.9	-65.1	177.9	159.2	0	0	122
1042	P	27.4	Very low	28.5	Very low	119 Å²	119	141 Å²	141	77%	0.773	76%	0.756	S	S	*	*			trans	-90.7	112.8	176.5	35	-25.6	0	0	0	110.5
1043	D	30	Very low	29.3	Very low	161 Å²	161	137.8 Å²	137.8	86%	0.861	74%	0.744	S	S	*	*			trans	-171.4	165.4	151.5	-98.5	-26.9	0	0	0	110
1044	I	30.3	Very low	30.1	Very low	151 Å²	151	137.4 Å²	137.4	77%	0.774	75%	0.749	S	S	*	*			trans	100.4	69.4	179.5	-46	163.7	0	0	0	113.7
1045	L	27.8	Very low	31	Very low	172 Å²	172	134.1 Å²	134.1	90%	0.901	74%	0.735	S	S	*	*				-44	127.1	125.5	-101.7	110.8	0	0	0	110.4
1046	S	30.7	Very low	31.8	Very low	93 Å²	93	128.5 Å²	128.5	65%	0.65	72%	0.719	S	S	*	*			trans	140.1	135.3	143.1	60.7	0	0	0	0	112.7
1047	L	30.2	Very low	32.5	Very low	164 Å²	164	131.6 Å²	131.6	86%	0.859	72%	0.718	S	S	*	*			trans	127.5	137.2	159	-69.1	160.9	0	0	0	113.1
1048	P	31	Very low	33.4	Very low	124 Å²	124	134.9 Å²	134.9	81%	0.805	73%	0.727	S	S	*	*				-121.2	-179.4	-108.1	25.2	-5.4	0	0	0	115.2
1049	C	27.5	Very low	34.2	Very low	109 Å²	109	133.2 Å²	133.2	74%	0.736	72%	0.719	S	S	*	*			trans	-79.2	123.6	-174	-178.4	0	0	0	0	114.2
1050	E	34.1	Very low	35.1	Very low	187 Å²	187	136.8 Å²	136.8	87%	0.874	72%	0.719	S	S	*	*			trans	-152.5	127.4	157.1	-73.8	-179.7	160	0	0	103.9
1051	D	32.8	Very low	35.8	Very low	148 Å²	148	132 Å²	132	79%	0.791	70%	0.703	S	S	*	*			cis	-140.2	139.6	25.9	-89.1	-44.4	0	0	0	110.3	S1053	D1051-S1053 PolarHBondContact O-N 3.48Å
1052	R	30.3	Very low	36.7	Very low	246 Å²	246	125.7 Å²	125.7	93%	0.928	68%	0.677	S	S	*	*			trans	-89.7	89.5	168.9	-79.2	179.6	167	178.5	-3	109.6
1053	S	42.8	Very low	37.5	Very low	53 Å²	53	123.7 Å²	123.7	37%	0.371	66%	0.66	S	S	.	*			trans	-106.4	143.3	160.3	78.9	0	0	0	0	110.3	D1051 T1055 G1056 L1057	D1051-S1053 PolarHBondContact O-N 3.48Å; S1053-T1055 WeakPolarHBondContact CB-OG1 3.37Å; S1053-T1055 PolarHBondContact O-N 3.44Å; S1053-T1055 VanDerWaalsContact O-N 3.16Å; S1053-T1055 PolarHBondContact OG-OG1 3.08Å; S1053-G1056 PolarHBondContact O-N 3.31Å; S1053-G1056 PolarHBondContact OG-N 3.02Å; S1053-G1056 VanDerWaalsContact OG-N 3.12Å; S1053-L1057 PolarHBondContact O-N 3.44Å
1054	A	41.9	Very low	38.1	Very low	85 Å²	85	123.6 Å²	123.6	70%	0.702	65%	0.647	S	S	*	*	H	α-helix	trans	-57.6	-26.1	173.5	0	0	0	0	0	112.2	L1057 W1058	A1054-L1057 PolarHBondContact O-N 3.31Å; A1054-W1058 PolarHBondContact O-N 3.47Å
1055	T	46	Very low	38.8	Very low	98 Å²	98	120.6 Å²	120.6	60%	0.601	64%	0.636	S	S	*	*	H	α-helix	trans	-65	-39	171.7	15.3	0	0	0	0	112.6	S1053 W1058 Q1059	S1053-T1055 WeakPolarHBondContact CB-OG1 3.37Å; S1053-T1055 PolarHBondContact O-N 3.44Å; S1053-T1055 VanDerWaalsContact O-N 3.16Å; S1053-T1055 PolarHBondContact OG-OG1 3.08Å; T1055-W1058 PolarHBondContact O-N 2.86Å; T1055-Q1059 WeakPolarHBondContact O-CB 3.38Å; T1055-Q1059 PolarHBondContact O-N 3.31Å
1056	G	43.8	Very low	39.6	Very low	27 Å²	27	114.7 Å²	114.7	28%	0.278	60%	0.604	S	S	.	*	H	α-helix	trans	-66.3	-36.9	176.2	0	0	0	0	0	113.4	S1053 W1060	S1053-G1056 PolarHBondContact O-N 3.31Å; S1053-G1056 PolarHBondContact OG-N 3.02Å; S1053-G1056 VanDerWaalsContact OG-N 3.12Å; G1056-W1060 WeakPolarHBondContact O-CB 3.48Å; G1056-W1060 PolarHBondContact O-N 3.45Å
1057	L	44.3	Very low	40.1	Very low	136 Å²	136	114 Å²	114	71%	0.712	60%	0.595	S	S	*	*	H	α-helix	trans	-67.9	-38.8	174.8	-99.2	152.2	0	0	0	112.5	S1053 A1054 W1060 G1061	S1053-L1057 PolarHBondContact O-N 3.44Å; A1054-L1057 PolarHBondContact O-N 3.31Å; L1057-W1060 WeakPolarHBondContact O-CB 3.38Å; L1057-W1060 PolarHBondContact O-N 3.3Å; L1057-G1061 PolarHBondContact O-N 2.89Å
1058	W	41.6	Very low	40.5	Very low	179 Å²	179	112.1 Å²	112.1	68%	0.678	58%	0.58	S	S	*	*	H	α-helix	trans	-69.7	-42.4	174.6	-165.6	84.6	0	0	0	111.8	A1054 T1055 W1060 G1061 V1062	A1054-W1058 PolarHBondContact O-N 3.47Å; T1055-W1058 PolarHBondContact O-N 2.86Å; W1058-W1060 VanDerWaalsContact C-N 3.27Å; W1058-W1060 PolarHBondContact O-N 3.35Å; W1058-G1061 WeakPolarHBondContact O-CA 3.46Å; W1058-G1061 PolarHBondContact O-N 3.22Å; W1058-V1062 HydrophobicContact CD2-CG2 3.92Å; W1058-V1062 HydrophobicContact CE3-CG2 3.86Å; W1058-V1062 HydrophobicContact CH2-CG2 3.83Å; W1058-V1062 HydrophobicContact CZ2-CG2 3.87Å; W1058-V1062 HydrophobicContact CZ3-CG2 3.81Å; W1058-V1062 WeakPolarHBondContact O-CG2 3.29Å; W1058-V1062 PolarHBondContact O-N 3.41Å
1059	Q	43.9	Very low	41.1	Very low	121 Å²	121	108.9 Å²	108.9	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-60.1	-37	171.3	-108.6	165.3	-26.4	0	0	112	T1055 N1063	T1055-Q1059 WeakPolarHBondContact O-CB 3.38Å; T1055-Q1059 PolarHBondContact O-N 3.31Å; Q1059-N1063 WeakPolarHBondContact O-CB 3.31Å; Q1059-N1063 PolarHBondContact O-N 3.09Å; Q1059-N1063 PolarHBondContact O-ND2 3.49Å
1060	W	41.6	Very low	41.7	Very low	184 Å²	184	109.7 Å²	109.7	70%	0.697	54%	0.543	S	S	*	.	H	α-helix	trans	-66.3	-39.9	171.1	-105.8	62	0	0	0	112.7	G1056 L1057 W1058 R1064	G1056-W1060 WeakPolarHBondContact O-CB 3.48Å; G1056-W1060 PolarHBondContact O-N 3.45Å; L1057-W1060 WeakPolarHBondContact O-CB 3.38Å; L1057-W1060 PolarHBondContact O-N 3.3Å; W1058-W1060 VanDerWaalsContact C-N 3.27Å; W1058-W1060 PolarHBondContact O-N 3.35Å; W1060-R1064 WeakPolarHBondContact O-CB 3.4Å; W1060-R1064 PolarHBondContact O-N 3.01Å
1061	G	46	Very low	41.7	Very low	37 Å²	37	104.1 Å²	104.1	38%	0.381	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-49.7	175.7	0	0	0	0	0	112.5	L1057 W1058 R1064 V1065	L1057-G1061 PolarHBondContact O-N 2.89Å; W1058-G1061 WeakPolarHBondContact O-CA 3.46Å; W1058-G1061 PolarHBondContact O-N 3.22Å; G1061-R1064 PolarHBondContact O-N 3.48Å; G1061-V1065 WeakPolarHBondContact O-CG2 3.35Å; G1061-V1065 PolarHBondContact O-N 3.41Å
1062	V	47.6	Very low	42	Very low	45 Å²	45	102 Å²	102	27%	0.273	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-45.2	176.4	175.5	0	0	0	0	110.6	W1058 R1064 V1065 Q1066	W1058-V1062 HydrophobicContact CD2-CG2 3.92Å; W1058-V1062 HydrophobicContact CE3-CG2 3.86Å; W1058-V1062 HydrophobicContact CH2-CG2 3.83Å; W1058-V1062 HydrophobicContact CZ2-CG2 3.87Å; W1058-V1062 HydrophobicContact CZ3-CG2 3.81Å; W1058-V1062 WeakPolarHBondContact O-CG2 3.29Å; W1058-V1062 PolarHBondContact O-N 3.41Å; V1062-R1064 VanDerWaalsContact C-N 3.29Å; V1062-R1064 PolarHBondContact O-N 3.33Å; V1062-V1065 PolarHBondContact O-N 3.49Å; V1062-Q1066 HydrophobicContact CG1-CG 4.32Å; V1062-Q1066 VanDerWaalsContact O-CB 3.31Å; V1062-Q1066 WeakPolarHBondContact O-CB 3.36Å; V1062-Q1066 WeakPolarHBondContact O-CG 3.27Å; V1062-Q1066 PolarHBondContact O-N 3.14Å
1063	N	43.6	Very low	42.3	Very low	78 Å²	78	95 Å²	95	42%	0.417	49%	0.487	S	S	.	.	H	α-helix	trans	-63.8	-33.8	175.1	-78.7	-30.1	0	0	0	111.7	Q1059 T1067	Q1059-N1063 WeakPolarHBondContact O-CB 3.31Å; Q1059-N1063 PolarHBondContact O-N 3.09Å; Q1059-N1063 PolarHBondContact O-ND2 3.49Å; N1063-T1067 WeakPolarHBondContact O-CA 3.35Å; N1063-T1067 WeakPolarHBondContact O-CB 3.26Å; N1063-T1067 PolarHBondContact O-N 2.92Å; N1063-T1067 PolarHBondContact O-OG1 3.27Å
1064	R	41.6	Very low	42.1	Very low	158 Å²	158	95.5 Å²	95.5	60%	0.596	50%	0.495	S	S	*	.	H	α-helix	trans	-74.7	-34.2	178.3	-168.6	173.3	176.9	121.8	-4.4	112	W1060 G1061 V1062 K1068	W1060-R1064 WeakPolarHBondContact O-CB 3.4Å; W1060-R1064 PolarHBondContact O-N 3.01Å; G1061-R1064 PolarHBondContact O-N 3.48Å; V1062-R1064 VanDerWaalsContact C-N 3.29Å; V1062-R1064 PolarHBondContact O-N 3.33Å; R1064-K1068 VanDerWaalsContact O-CB 3.26Å; R1064-K1068 WeakPolarHBondContact O-CB 3.43Å; R1064-K1068 VanDerWaalsContact O-CG 3.24Å; R1064-K1068 WeakPolarHBondContact O-CG 3.08Å; R1064-K1068 PolarHBondContact O-N 3.1Å
1065	V	46.2	Very low	41.6	Very low	88 Å²	88	98.2 Å²	98.2	53%	0.533	49%	0.491	S	S	.	.	H	α-helix	trans	-69.8	-45.3	171	174	0	0	0	0	110.2	G1061 V1062 T1067 K1068 I1069	G1061-V1065 WeakPolarHBondContact O-CG2 3.35Å; G1061-V1065 PolarHBondContact O-N 3.41Å; V1062-V1065 PolarHBondContact O-N 3.49Å; V1065-T1067 PolarHBondContact O-N 2.57Å; V1065-K1068 CarbonylContact O-C 3.6Å; V1065-K1068 PolarHBondContact O-N 3.39Å; V1065-I1069 HydrophobicContact CG1-CD1 3.8Å; V1065-I1069 HydrophobicContact CG1-CG1 4.45Å; V1065-I1069 WeakPolarHBondContact O-CB 3.2Å; V1065-I1069 WeakPolarHBondContact O-CG1 3.45Å; V1065-I1069 PolarHBondContact O-N 3.32Å
1066	Q	44.9	Very low	41.1	Very low	49 Å²	49	99.4 Å²	99.4	23%	0.229	48%	0.484	C	S	.	.	H	α-helix	trans	-66.8	-34.7	175.3	-74.2	-175.2	-9.9	0	0	113.1	V1062 I1069 R1070	V1062-Q1066 HydrophobicContact CG1-CG 4.32Å; V1062-Q1066 VanDerWaalsContact O-CB 3.31Å; V1062-Q1066 WeakPolarHBondContact O-CB 3.36Å; V1062-Q1066 WeakPolarHBondContact O-CG 3.27Å; V1062-Q1066 PolarHBondContact O-N 3.14Å; Q1066-I1069 PolarHBondContact O-N 3.43Å; Q1066-R1070 WeakPolarHBondContact O-CB 3.25Å; Q1066-R1070 PolarHBondContact O-N 3.25Å
1067	T	40.7	Very low	40.7	Very low	77 Å²	77	105 Å²	105	47%	0.472	51%	0.508	S	S	.	.	H	α-helix	trans	-73.6	-34.6	174	-52.2	0	0	0	0	109.6	N1063 V1065 R1070 V1071	N1063-T1067 WeakPolarHBondContact O-CA 3.35Å; N1063-T1067 WeakPolarHBondContact O-CB 3.26Å; N1063-T1067 PolarHBondContact O-N 2.92Å; N1063-T1067 PolarHBondContact O-OG1 3.27Å; V1065-T1067 PolarHBondContact O-N 2.57Å; T1067-R1070 PolarHBondContact O-N 3.31Å; T1067-V1071 HydrophobicContact CG2-CG2 4.08Å; T1067-V1071 WeakPolarHBondContact O-CA 3.23Å; T1067-V1071 WeakPolarHBondContact O-CB 3.28Å; T1067-V1071 WeakPolarHBondContact O-CG2 3.48Å; T1067-V1071 PolarHBondContact O-N 2.84Å
1068	K	37.8	Very low	40.2	Very low	125 Å²	125	101 Å²	101	54%	0.543	50%	0.499	S	S	.	.	H	α-helix	trans	-66.3	-38.4	168.8	-80.3	-177.7	175.7	-168.8	0	111.8	R1064 V1065 V1071 I1072	R1064-K1068 VanDerWaalsContact O-CB 3.26Å; R1064-K1068 WeakPolarHBondContact O-CB 3.43Å; R1064-K1068 VanDerWaalsContact O-CG 3.24Å; R1064-K1068 WeakPolarHBondContact O-CG 3.08Å; R1064-K1068 PolarHBondContact O-N 3.1Å; V1065-K1068 CarbonylContact O-C 3.6Å; V1065-K1068 PolarHBondContact O-N 3.39Å; K1068-V1071 CarbonylContact O-C 3.11Å; K1068-V1071 PolarHBondContact O-N 3.27Å; K1068-I1072 HydrophobicContact CB-CD1 4.49Å; K1068-I1072 WeakPolarHBondContact O-CA 3.3Å; K1068-I1072 WeakPolarHBondContact O-CB 3.38Å; K1068-I1072 VanDerWaalsContact O-CD1 3.27Å; K1068-I1072 WeakPolarHBondContact O-CD1 3.34Å; K1068-I1072 WeakPolarHBondContact O-CG1 3.13Å; K1068-I1072 PolarHBondContact O-N 3.38Å
1069	I	44.6	Very low	39.6	Very low	57 Å²	57	97.1 Å²	97.1	29%	0.292	49%	0.491	S	S	.	.	H	α-helix	trans	-65	-46.4	174.6	-69.9	162.4	0	0	0	109.8	L86 V1065 Q1066 V1071 I1072 E1073	L86-I1069 HydrophobicContact CD2-CD1 4.33Å; V1065-I1069 HydrophobicContact CG1-CD1 3.8Å; V1065-I1069 HydrophobicContact CG1-CG1 4.45Å; V1065-I1069 WeakPolarHBondContact O-CB 3.2Å; V1065-I1069 WeakPolarHBondContact O-CG1 3.45Å; V1065-I1069 PolarHBondContact O-N 3.32Å; Q1066-I1069 PolarHBondContact O-N 3.43Å; I1069-V1071 VanDerWaalsContact C-N 3.34Å; I1069-V1071 PolarHBondContact O-N 2.94Å; I1069-I1072 CarbonylContact O-C 3.56Å; I1069-I1072 PolarHBondContact O-N 2.86Å; I1069-E1073 WeakPolarHBondContact O-CB 3.44Å; I1069-E1073 WeakPolarHBondContact O-CG 3.41Å; I1069-E1073 PolarHBondContact O-N 3.23Å
1070	R	39.4	Very low	39	Very low	126 Å²	126	96 Å²	96	48%	0.475	50%	0.496	S	S	.	.	H	α-helix	trans	-69.2	-29.9	176.6	-166.1	-177.6	-77.6	174.8	-6.7	112.7	Q1066 T1067 A1074	Q1066-R1070 WeakPolarHBondContact O-CB 3.25Å; Q1066-R1070 PolarHBondContact O-N 3.25Å; T1067-R1070 PolarHBondContact O-N 3.31Å; R1070-A1074 WeakPolarHBondContact O-CA 3.47Å; R1070-A1074 WeakPolarHBondContact O-CB 3.43Å; R1070-A1074 PolarHBondContact O-N 3.35Å
1071	V	35	Very low	38.4	Very low	70 Å²	70	88.8 Å²	88.8	42%	0.424	47%	0.473	S	S	.	.	H	α-helix	trans	-78.7	-30.6	173.2	168.6	0	0	0	0	110.3	T1067 K1068 I1069 A1074 F1075	T1067-V1071 HydrophobicContact CG2-CG2 4.08Å; T1067-V1071 WeakPolarHBondContact O-CA 3.23Å; T1067-V1071 WeakPolarHBondContact O-CB 3.28Å; T1067-V1071 WeakPolarHBondContact O-CG2 3.48Å; T1067-V1071 PolarHBondContact O-N 2.84Å; K1068-V1071 CarbonylContact O-C 3.11Å; K1068-V1071 PolarHBondContact O-N 3.27Å; I1069-V1071 VanDerWaalsContact C-N 3.34Å; I1069-V1071 PolarHBondContact O-N 2.94Å; V1071-A1074 CarbonylContact O-C 3.45Å; V1071-F1075 HydrophobicContact CG1-CD2 3.84Å; V1071-F1075 HydrophobicContact CG1-CE2 4.29Å; V1071-F1075 WeakPolarHBondContact O-CA 3.42Å; V1071-F1075 WeakPolarHBondContact O-CB 3.2Å; V1071-F1075 WeakPolarHBondContact O-CD2 3.38Å; V1071-F1075 PolarHBondContact O-N 3.07Å
1072	I	38.1	Very low	37.7	Very low	102 Å²	102	94.2 Å²	94.2	52%	0.523	49%	0.489	S	S	.	.	H	α-helix	trans	-75.1	-41.7	174.4	-73	162.3	0	0	0	109.8	K1068 I1069 F1075 R1076	K1068-I1072 HydrophobicContact CB-CD1 4.49Å; K1068-I1072 WeakPolarHBondContact O-CA 3.3Å; K1068-I1072 WeakPolarHBondContact O-CB 3.38Å; K1068-I1072 VanDerWaalsContact O-CD1 3.27Å; K1068-I1072 WeakPolarHBondContact O-CD1 3.34Å; K1068-I1072 WeakPolarHBondContact O-CG1 3.13Å; K1068-I1072 PolarHBondContact O-N 3.38Å; I1069-I1072 CarbonylContact O-C 3.56Å; I1069-I1072 PolarHBondContact O-N 2.86Å; I1072-F1075 CarbonylContact O-C 3.49Å; I1072-F1075 PolarHBondContact O-N 3.39Å; I1072-R1076 WeakPolarHBondContact O-CB 3.45Å; I1072-R1076 PolarHBondContact O-N 2.82Å
1073	E	37.9	Very low	36.9	Very low	100 Å²	100	95.2 Å²	95.2	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-68.7	-39.6	171.1	-74.7	170	173.5	0	0	111.1	I1069 F1075 R1076 D1077	I1069-E1073 WeakPolarHBondContact O-CB 3.44Å; I1069-E1073 WeakPolarHBondContact O-CG 3.41Å; I1069-E1073 PolarHBondContact O-N 3.23Å; E1073-F1075 VanDerWaalsContact C-N 3.3Å; E1073-F1075 PolarHBondContact O-N 3.38Å; E1073-R1076 PolarHBondContact O-N 3.06Å; E1073-D1077 WeakPolarHBondContact O-CB 3.19Å; E1073-D1077 PolarHBondContact O-N 3.01Å
1074	A	37.8	Very low	36.2	Very low	64 Å²	64	96.1 Å²	96.1	53%	0.529	52%	0.521	S	S	.	.	H	α-helix	trans	-72	-21.6	169.9	0	0	0	0	0	113.2	R1070 V1071 G1078	R1070-A1074 WeakPolarHBondContact O-CA 3.47Å; R1070-A1074 WeakPolarHBondContact O-CB 3.43Å; R1070-A1074 PolarHBondContact O-N 3.35Å; V1071-A1074 CarbonylContact O-C 3.45Å; A1074-G1078 VanDerWaalsContact O-CA 3.24Å; A1074-G1078 WeakPolarHBondContact O-CA 3.27Å; A1074-G1078 PolarHBondContact O-N 2.67Å; A1074-G1078 VanDerWaalsContact O-N 3.1Å
1075	F	31	Very low	35.5	Very low	141 Å²	141	97.4 Å²	97.4	62%	0.618	53%	0.531	S	S	*	.	H	α-helix	trans	-82.5	-21.7	169.7	-110.1	-99.4	0	0	0	112.1	V1071 I1072 E1073 I1079	V1071-F1075 HydrophobicContact CG1-CD2 3.84Å; V1071-F1075 HydrophobicContact CG1-CE2 4.29Å; V1071-F1075 WeakPolarHBondContact O-CA 3.42Å; V1071-F1075 WeakPolarHBondContact O-CB 3.2Å; V1071-F1075 WeakPolarHBondContact O-CD2 3.38Å; V1071-F1075 PolarHBondContact O-N 3.07Å; I1072-F1075 CarbonylContact O-C 3.49Å; I1072-F1075 PolarHBondContact O-N 3.39Å; E1073-F1075 VanDerWaalsContact C-N 3.3Å; E1073-F1075 PolarHBondContact O-N 3.38Å; F1075-I1079 VanDerWaalsContact O-CG1 3.25Å; F1075-I1079 WeakPolarHBondContact O-CG1 3.46Å
1076	R	36.3	Very low	34.7	Very low	123 Å²	123	103.1 Å²	103.1	46%	0.464	55%	0.548	S	S	.	.	H	α-helix	trans	-95.2	-35.6	-176.5	-162.6	-179.6	-155.4	155.1	17	111.6	Q84 I1072 E1073	Q84-R1076 VanDerWaalsContact CB-NH2 3.27Å; Q84-R1076 VanDerWaalsContact CG-NH2 3.29Å; Q84-R1076 PolarHBondContact O-NH1 2.82Å; Q84-R1076 VanDerWaalsContact OE1-CZ 3.24Å; I1072-R1076 WeakPolarHBondContact O-CB 3.45Å; I1072-R1076 PolarHBondContact O-N 2.82Å; E1073-R1076 PolarHBondContact O-N 3.06Å
1077	D	35.8	Very low	33.8	Very low	146 Å²	146	109.9 Å²	109.9	78%	0.781	58%	0.577	S	S	*	*	S	Bend	trans	-89.4	-7.5	169.1	-69.8	-15.7	0	0	0	112.8	E1073 I1079	E1073-D1077 WeakPolarHBondContact O-CB 3.19Å; E1073-D1077 PolarHBondContact O-N 3.01Å; D1077-I1079 VanDerWaalsContact C-N 3.32Å
1078	G	33.3	Very low	33.3	Very low	51 Å²	51	110.9 Å²	110.9	53%	0.526	59%	0.587	S	S	.	*			trans	-88.6	14.4	172.6	0	0	0	0	0	114.8	A1074	A1074-G1078 VanDerWaalsContact O-CA 3.24Å; A1074-G1078 WeakPolarHBondContact O-CA 3.27Å; A1074-G1078 PolarHBondContact O-N 2.67Å; A1074-G1078 VanDerWaalsContact O-N 3.1Å
1079	I	28.4	Very low	32.8	Very low	98 Å²	98	110.5 Å²	110.5	50%	0.503	60%	0.6	S	S	.	*			trans	-105.4	56.1	172	-44.4	179.8	0	0	0	108.8	Q264 F1075 D1077	Q264-I1079 HydrophobicContact CG-CG2 4.1Å; Q264-I1079 VanDerWaalsContact NE2-CG2 3.34Å; F1075-I1079 VanDerWaalsContact O-CG1 3.25Å; F1075-I1079 WeakPolarHBondContact O-CG1 3.46Å; D1077-I1079 VanDerWaalsContact C-N 3.32Å
1080	S	32.2	Very low	32.2	Very low	96 Å²	96	115.5 Å²	115.5	67%	0.671	63%	0.626	S	S	*	*	S	Bend	trans	-121.9	140.7	143.3	-85.8	0	0	0	0	107.4
1081	P	28.8	Very low	31.7	Very low	34 Å²	34	119.1 Å²	119.1	22%	0.221	65%	0.646	C	S	.	*			trans	-115.8	138.7	-137	1.8	25.8	0	0	0	109.4	Q260	Q260-P1081 HydrophobicContact CB-CB 3.26Å; Q260-P1081 HydrophobicContact CB-CG 3.27Å; Q260-P1081 HydrophobicContact CG-CB 3.25Å; Q260-P1081 HydrophobicContact CG-CG 3.48Å; Q260-P1081 VanDerWaalsContact CG-CG 3.48Å; Q260-P1081 VanDerWaalsContact NE2-C 3.34Å; Q260-P1081 PolarHBondContact NE2-O 2.96Å
1082	E	30.9	Very low	31.4	Very low	150 Å²	150	127.6 Å²	127.6	70%	0.701	67%	0.67	S	S	*	*			trans	-169.4	128.9	161.9	-112.4	167.9	-151.3	0	0	107.8	L256	L256-E1082 HydrophobicContact CD2-CG 4.14Å
1083	G	29.9	Very low	30.9	Very low	66 Å²	66	134 Å²	134	68%	0.68	69%	0.687	S	S	*	*			trans	58.5	89.3	161.8	0	0	0	0	0	118.5
1084	S	29.4	Very low	30.6	Very low	98 Å²	98	134.6 Å²	134.6	69%	0.685	70%	0.703	S	S	*	*				74.1	109.7	77.2	-167.8	0	0	0	0	114.5	K1086	S1084-K1086 PolarHBondContact O-N 3.37Å
1085	F	26.7	Very low	30.4	Very low	185 Å²	185	139.7 Å²	139.7	81%	0.811	72%	0.719	S	S	*	*			trans	-55.7	122.5	169.2	-104.4	-109.1	0	0	0	111.3	K1087	F1085-K1087 HydrophobicContact CD1-CG 4.21Å
1086	K	29.4	Very low	30.3	Very low	207 Å²	207	141 Å²	141	90%	0.9	73%	0.727	S	S	*	*			trans	-106.7	109.1	147.9	-111.3	178.5	179.4	176.2	0	108	S1084 S1088	S1084-K1086 PolarHBondContact O-N 3.37Å; K1086-S1088 PolarHBondContact O-N 2.74Å
1087	K	26	Very low	30	Very low	191 Å²	191	144.8 Å²	144.8	83%	0.83	75%	0.747	S	S	*	*			trans	-70.6	117.3	165.7	-81.5	176.1	174.6	171.3	0	108	F1085	F1085-K1087 HydrophobicContact CD1-CG 4.21Å
1088	S	30.5	Very low	29.8	Very low	98 Å²	98	146.5 Å²	146.5	69%	0.685	76%	0.755	S	S	*	*			trans	-137.7	95.1	159.1	50.5	0	0	0	0	110.9	K1086 I1090	K1086-S1088 PolarHBondContact O-N 2.74Å; S1088-I1090 PolarHBondContact O-N 3.12Å
1089	S	27.4	Very low	29.7	Very low	117 Å²	117	152.2 Å²	152.2	82%	0.818	77%	0.768	S	S	*	*	S	Bend		47.2	55.2	129.5	68.8	0	0	0	0	123
1090	I	31.3	Very low	29.9	Very low	162 Å²	162	152.2 Å²	152.2	83%	0.831	78%	0.777	S	S	*	*	S	Bend	trans	-141.5	29.4	156.4	-48	176.6	0	0	0	113.8	S1088	S1088-I1090 PolarHBondContact O-N 3.12Å
1091	F	29	Very low	30	Very low	203 Å²	203	156 Å²	156	89%	0.89	78%	0.782	S	S	*	*			trans	-135.9	28.9	170.5	-127.5	-94.2	0	0	0	114.9
1092	R	28.5	Very low	30.2	Very low	248 Å²	248	165.8 Å²	165.8	94%	0.936	81%	0.814	S	S	*	*			trans	-99.8	78.7	158.7	-99.1	-170.5	-176.5	-176.7	2.6	109
1093	R	28.3	Very low	30.4	Very low	235 Å²	235	162 Å²	162	89%	0.887	82%	0.816	S	S	*	*	S	Bend	trans	-174.1	85.2	159	-105.7	173.9	-172.3	-176.8	2.8	107.4
1094	S	32.2	Very low	30.6	Very low	114 Å²	114	168.8 Å²	168.8	80%	0.797	83%	0.827	S	S	*	*	S	Bend	trans	-179.7	-4.3	155.9	-85.7	0	0	0	0	115.5
1095	I	32.7	Very low	30.9	Very low	170 Å²	170	169.5 Å²	169.5	87%	0.872	83%	0.831	S	S	*	*			trans	-123.4	68.6	172.4	-51.2	-178.6	0	0	0	109.5
1096	H	30.2	Very low	31.5	Very low	169 Å²	169	166.2 Å²	166.2	78%	0.782	83%	0.828	S	S	*	*			trans	-132.1	75.3	164.7	-121.9	-69.4	0	0	0	107.1
1097	K	29.1	Very low	31.6	Very low	202 Å²	202	161.4 Å²	161.4	88%	0.878	82%	0.821	S	S	*	*			trans	-169.2	78.5	163.4	-111.3	-179	-176.2	-178	0	107.6
1098	L	31.4	Very low	32.3	Very low	183 Å²	183	157.1 Å²	157.1	96%	0.958	81%	0.813	S	S	*	*			trans	179.6	64.2	154.9	-96	155.4	0	0	0	107.8
1099	Q	31.7	Very low	32.7	Very low	171 Å²	171	160.1 Å²	160.1	80%	0.799	82%	0.821	S	S	*	*			trans	-96.9	120.8	156.9	-88.8	179.9	-30	0	0	106.7
1100	S	33.2	Very low	33.1	Very low	98 Å²	98	158.7 Å²	158.7	69%	0.685	82%	0.824	S	S	*	*			trans	171	149.5	130.9	59.9	0	0	0	0	110.6
1101	F	33.5	Very low	33.2	Very low	175 Å²	175	154.3 Å²	154.3	77%	0.768	82%	0.819	S	S	*	*			trans	93.4	84.8	179	-63.4	-80.4	0	0	0	114.8
1102	R	34.1	Very low	33.4	Very low	239 Å²	239	153.2 Å²	153.2	90%	0.902	82%	0.817	S	S	*	*				72.9	128.5	87.2	-93.2	-178.1	162.7	178.9	-3.2	111.7
1103	G	33.8	Very low	33.7	Very low	71 Å²	71	147 Å²	147	73%	0.732	80%	0.803	S	S	*	*			cis	165.8	150.6	-1.9	0	0	0	0	0	111.2
1104	K	34.1	Very low	34.1	Very low	209 Å²	209	143.8 Å²	143.8	91%	0.909	80%	0.797	S	S	*	*			trans	74.3	97	153.4	-61.9	-176	174.9	-174.8	0	122.6
1105	S	35.1	Very low	34.2	Very low	112 Å²	112	142.8 Å²	142.8	78%	0.783	79%	0.79	S	S	*	*				25.7	163.4	106.9	-157.4	0	0	0	0	121.7
1106	P	39.2	Very low	34.1	Very low	116 Å²	116	139.1 Å²	139.1	75%	0.753	78%	0.78	S	S	*	*			cis	-136.7	-179.4	-10.2	15.7	12.1	0	0	0	117.7
1107	S	33.1	Very low	34.4	Very low	107 Å²	107	141.1 Å²	141.1	75%	0.748	78%	0.782	S	S	*	*			trans	-61.8	-161.3	173.1	60.5	0	0	0	0	117.4
1108	P	40.6	Very low	34.7	Very low	101 Å²	101	140 Å²	140	66%	0.656	78%	0.78	S	S	*	*			cis	-150	-171.8	5	37.2	-11.8	0	0	0	118.9
1109	N	37.9	Very low	34.7	Very low	161 Å²	161	139 Å²	139	86%	0.861	77%	0.774	S	S	*	*			trans	117.5	133.2	139.4	-76.5	-8.7	0	0	0	123.3
1110	G	35.4	Very low	35	Very low	86 Å²	86	135.8 Å²	135.8	89%	0.887	77%	0.768	S	S	*	*			trans	98.2	135.9	149.8	0	0	0	0	0	116.2
1111	G	34.6	Very low	35.1	Very low	70 Å²	70	139 Å²	139	72%	0.722	77%	0.773	S	S	*	*			cis	165.2	125.4	7.2	0	0	0	0	0	106.1
1112	Q	32.9	Very low	35.2	Very low	181 Å²	181	137.2 Å²	137.2	85%	0.846	78%	0.776	S	S	*	*				71.1	125.2	111.5	-106.3	179.4	-21.2	0	0	118
1113	D	35.5	Very low	35.5	Very low	118 Å²	118	130 Å²	130	63%	0.631	77%	0.768	S	S	*	*				131.9	126.1	128.9	-74.8	-9.3	0	0	0	120.9
1114	H	35.3	Very low	35.6	Very low	166 Å²	166	136.3 Å²	136.3	77%	0.769	78%	0.776	S	S	*	*			trans	59.3	144.5	139.2	-66.6	-59.1	0	0	0	120.3
1115	S	33.8	Very low	35.6	Very low	93 Å²	93	138.8 Å²	138.8	65%	0.65	79%	0.79	S	S	*	*			cis	179.2	148.3	6.8	42.9	0	0	0	0	109.9
1116	S	31	Very low	35.6	Very low	94 Å²	94	140.2 Å²	140.2	66%	0.657	79%	0.79	S	S	*	*			trans	55.8	127.6	144	47.9	0	0	0	0	122.6
1117	Y	36.8	Very low	35.4	Very low	211 Å²	211	141.4 Å²	141.4	83%	0.827	79%	0.792	S	S	*	*				-175.7	109.6	120.1	-94	-70.1	0	0	0	112.4
1118	E	35.7	Very low	35.5	Very low	177 Å²	177	143.3 Å²	143.3	83%	0.827	79%	0.794	S	S	*	*			trans	30.5	126.2	138.7	-63.6	175.7	155.7	0	0	124.1
1119	L	32.4	Very low	35.2	Very low	162 Å²	162	145.8 Å²	145.8	85%	0.848	80%	0.803	S	S	*	*			trans	-78.1	159.3	149.6	-97.7	150.7	0	0	0	109.5
1120	P	37.6	Very low	35	Very low	104 Å²	104	144.9 Å²	144.9	68%	0.675	80%	0.799	S	S	*	*				-160.9	170.2	71.3	39.9	-16.6	0	0	0	119.5
1121	Q	33.9	Very low	35	Very low	166 Å²	166	148.8 Å²	148.8	78%	0.776	79%	0.793	S	S	*	*			trans	54.8	122.5	142.7	-71.5	172.1	-0.4	0	0	121.4
1122	T	36.1	Very low	35	Very low	138 Å²	138	154.4 Å²	154.4	85%	0.847	80%	0.798	S	S	*	*				163.9	137.6	103.3	39.5	0	0	0	0	114.7
1123	A	41.6	Very low	35.2	Very low	87 Å²	87	152.4 Å²	152.4	72%	0.719	80%	0.795	S	S	*	*			trans	71.8	107.6	139	0	0	0	0	0	123.5
1124	F	34.9	Very low	35.2	Very low	204 Å²	204	155.3 Å²	155.3	90%	0.895	81%	0.808	S	S	*	*				33.5	116.4	128.7	-76.1	-87.4	0	0	0	121
1125	H	33.3	Very low	35.2	Very low	261 Å²	261	154.3 Å²	154.3	100%	1.208	81%	0.812	S	S	*	*				-154.5	0	116.2	-121.7	-51.3	0	0	0	112.4

Retrieved 1,125 of 1,125 residues in 463.3 ms (Link to these results)

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