A0A3Q0KBJ6_SCHMA Loading...

Kinesin-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KBJ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 937 aa.

						>A0A3Q0KBJ6_SCHMA|A0A3Q0KBJ6
MADYDGGILAVGINVDIQRTDGRVHSAIVSGINPNTKSVTVEWYEKGEAKGKEIELEAILQLNPNLRYSCPITDNVCGTVDISRNNLVKEVPNSSHRPGVNLPTDIRQSQNSVPVVASAAVLAPPSNKVNATQIDYSSGNQSRLIAPSTRVPVPSSRVPTGHVPTRSTTISAYDDRTNSSSRLQASLPVHNSVDISHTHNEGSRYNVHQHRTISDEPMDEDLEPSESVQLDHNDYNHVTSMSREPETNTLLTERMEQDIGDVTEDNLQSGIINGNRGYAGDASRRLIGRANSNLGALTVNSTLSALNTSSTTTAPGINAGAAGGSGTLRKSNCVKEIERIQQRREERRAAQKAVRDQIDLDPTNPSYEFHMMIHEYRNTLEYRPLTNTDLIEDHQICVCVRKRPMNKKELGRREIDVITVPNKQHVLVHEPKTKVDLTKYLENQQFRFDYAFDDTSDNELVYRYTAKPLVECIFQRGMATCFAYGQTGSGKTHTMGGEFHARGQQNCSNGIYALAAADVFNLNTTTYRNENLRIVATFFEIYSGKVFDLLNKKAKLRVLEDAKGQVQIVGLREEEVNSVDCVLKLLQHGAHIRTSGQTSANQHSSRSHAVFQLILKKQSTGKIHGKFSLIDLAGNERGVDTSSSDRHTRMEGAEINKSLLALKECIRALGRRGAHLPFRASKLTQVLRDSFIGDRSRTCMIAMISPGMSSCEHTLNTLRYADRVKELGPGTLSASNSNTDLPATGNTNQPQLSSRSSNCTVAGSTVTPQINFRNPPNTNIGTSGNILSKNYYLSSNNNDFSNNNWQNDTLTNNHVNSIAGGDGDLAMLRSANEGEVPEEVLHFHEVIDQIERMEEEICDDHKAVCHSMSDWTKEHYSLYKISNQVEFDVEEYSARLEYLLGKQIKVLSSLKDKVTLWRRDLRQEEELSTNLQRNHKL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	51.6	Low	243 Å²	243	103.5 Å²	103.5	100%	1.197	60%	0.595	S	S	*	*				0	87.4	0	-66.2	166.8	178.4	0	0	105.1
2	A	31	Very low	54.1	Low	88 Å²	88	99.3 Å²	99.3	73%	0.727	59%	0.591	S	S	*	*				79.4	70.7	64.3	0	0	0	0	0	111.2
3	D	30	Very low	56.6	Low	152 Å²	152	95.3 Å²	95.3	81%	0.813	56%	0.564	S	S	*	*			trans	36.3	110.2	147.5	-46.1	-17.8	0	0	0	118.5
4	Y	38	Very low	58.9	Low	157 Å²	157	96.6 Å²	96.6	62%	0.616	57%	0.568	S	S	*	*			trans	-134.2	71	157.3	-121.6	-81.8	0	0	0	110.3	K37 L56	Y4-K37 VanDerWaalsContact OH-CD 3.32Å; Y4-K37 WeakPolarHBondContact OH-CD 3.49Å; Y4-K37 WeakPolarHBondContact OH-CE 3.3Å; Y4-K37 PolarHBondContact OH-NZ 2.87Å; Y4-L56 HydrophobicContact CE1-CD2 4.37Å
5	D	38.3	Very low	61	Low	167 Å²	167	90.3 Å²	90.3	89%	0.893	53%	0.53	S	S	*	.			trans	-78.1	121.3	169.1	-170.7	14.7	0	0	0	109.1
6	G	38.9	Very low	62.9	Low	34 Å²	34	88.5 Å²	88.5	35%	0.351	52%	0.518	S	S	.	.			trans	-150.1	15.2	-138.3	0	0	0	0	0	120.2
7	G	52.2	Low	64.5	Low	35 Å²	35	83.7 Å²	83.7	36%	0.361	49%	0.489	S	S	.	.			trans	79.9	176.8	165.7	0	0	0	0	0	117.5	L9	G7-L9 VanDerWaalsContact C-N 3.26Å; G7-L9 PolarHBondContact O-N 2.84Å
8	I	62.9	Low	65.8	Low	92 Å²	92	85.4 Å²	85.4	47%	0.472	49%	0.492	S	S	.	.	S	Bend	trans	-87.8	56.4	-171.6	-42.8	178.3	0	0	0	110.7	I13 L66 Y68	I8-I13 VanDerWaalsContact O-CD1 3.3Å; I8-I13 WeakPolarHBondContact O-CD1 3.44Å; I8-L66 PolarHBondContact N-O 2.99Å; I8-Y68 HydrophobicContact CD1-CD2 4.13Å; I8-Y68 HydrophobicContact CD1-CE2 3.94Å; I8-Y68 HydrophobicContact CG1-CD2 3.73Å; I8-Y68 HydrophobicContact CG1-CE2 3.79Å
9	L	74.8	Confident	66.7	Low	27 Å²	27	84.6 Å²	84.6	14%	0.141	48%	0.48	C	S	.	.			trans	-110.1	120.5	179.6	-159.7	78.9	0	0	0	111.4	G7 V15 V29 I32 V39 L56 I59 L66	G7-L9 VanDerWaalsContact C-N 3.26Å; G7-L9 PolarHBondContact O-N 2.84Å; L9-V15 HydrophobicContact CD1-CG1 3.96Å; L9-V29 HydrophobicContact CD1-CG2 4.03Å; L9-I32 HydrophobicContact CB-CD1 4.35Å; L9-I32 HydrophobicContact CD2-CD1 3.94Å; L9-I32 HydrophobicContact CD2-CG1 4.19Å; L9-I32 HydrophobicContact CG-CD1 3.91Å; L9-I32 WeakPolarHBondContact O-CD1 3.46Å; L9-V39 HydrophobicContact CD2-CB 4.46Å; L9-V39 HydrophobicContact CD2-CG1 4.03Å; L9-V39 HydrophobicContact CD2-CG2 3.53Å; L9-L56 HydrophobicContact CD2-CD1 3.53Å; L9-I59 HydrophobicContact CD1-CG2 4.31Å; L9-L66 HydrophobicContact CD1-CD1 3.92Å
10	A	80.1	Confident	67.3	Low	48 Å²	48	88.2 Å²	88.2	40%	0.397	50%	0.504	S	S	.	.			trans	-143.2	155.6	178	0	0	0	0	0	110.6	G12 I13	A10-G12 PolarHBondContact O-N 3.44Å; A10-I13 HydrophobicContact CB-CD1 3.9Å; A10-I13 HydrophobicContact CB-CG1 4.24Å; A10-I13 WeakPolarHBondContact O-CB 3.45Å; A10-I13 WeakPolarHBondContact O-CG1 3.3Å; A10-I13 PolarHBondContact O-N 3.04Å
11	V	85.5	Confident	68	Low	96 Å²	96	87.5 Å²	87.5	58%	0.582	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	133.1	173.7	177.3	0	0	0	0	109.7	V29 I32	V11-V29 CarbonylContact C-O 3.59Å; V11-V29 WeakPolarHBondContact CA-O 3.49Å; V11-V29 HydrophobicContact CG2-CG1 4.5Å; V11-I32 HydrophobicContact CG2-CG1 4.47Å
12	G	81.8	Confident	70.1	Confident	53 Å²	53	78 Å²	78	55%	0.546	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-4.1	-174.6	0	0	0	0	0	115.4	A10 V29	A10-G12 PolarHBondContact O-N 3.44Å; G12-V29 PolarHBondContact N-O 3.21Å
13	I	86.5	Confident	72.5	Confident	47 Å²	47	81.9 Å²	81.9	24%	0.241	46%	0.459	C	S	.	.			trans	-76.7	136.9	172.8	-66.3	-174.5	0	0	0	110.4	I8 A10 V15 V29	I8-I13 VanDerWaalsContact O-CD1 3.3Å; I8-I13 WeakPolarHBondContact O-CD1 3.44Å; A10-I13 HydrophobicContact CB-CD1 3.9Å; A10-I13 HydrophobicContact CB-CG1 4.24Å; A10-I13 WeakPolarHBondContact O-CB 3.45Å; A10-I13 WeakPolarHBondContact O-CG1 3.3Å; A10-I13 PolarHBondContact O-N 3.04Å; I13-V15 HydrophobicContact CG2-CG1 4.17Å; I13-V29 PolarHBondContact O-N 3.03Å
14	N	89.7	Confident	75.2	Confident	114 Å²	114	78.4 Å²	78.4	61%	0.61	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	126.4	167.9	-76.5	-20.4	0	0	0	109.8	A27 I28	N14-A27 CarbonylContact C-O 3.38Å; N14-A27 WeakPolarHBondContact CA-O 3.23Å; N14-I28 WeakPolarHBondContact OD1-CG1 3.01Å
15	V	89.6	Confident	77.6	Confident	1 Å²	1	73 Å²	73	1%	0.006	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137	175.4	-61.7	0	0	0	0	109.5	L9 I13 I17 S26 A27 V29 V41 I59 L66	L9-V15 HydrophobicContact CD1-CG1 3.96Å; I13-V15 HydrophobicContact CG2-CG1 4.17Å; V15-I17 HydrophobicContact CG2-CG2 4.08Å; V15-S26 CarbonylContact O-C 3.59Å; V15-S26 WeakPolarHBondContact O-CA 3.4Å; V15-A27 PolarHBondContact N-O 3.46Å; V15-A27 PolarHBondContact O-N 2.87Å; V15-A27 VanDerWaalsContact O-O 3.11Å; V15-V29 HydrophobicContact CB-CG2 4.48Å; V15-V29 HydrophobicContact CG1-CG2 3.72Å; V15-V29 HydrophobicContact CG2-CG2 3.84Å; V15-V41 HydrophobicContact CG2-CG1 3.73Å; V15-I59 HydrophobicContact CB-CG2 4.13Å; V15-I59 HydrophobicContact CG1-CG2 4.11Å; V15-I59 HydrophobicContact CG2-CD1 4.4Å; V15-I59 HydrophobicContact CG2-CG2 4.49Å; V15-L66 HydrophobicContact CG1-CD1 3.78Å
16	D	90.9	Very high	80.1	Confident	62 Å²	62	68.5 Å²	68.5	33%	0.332	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136.3	170.5	-76.4	-30.4	0	0	0	110	V24 S26 L62 N63	D16-V24 HydrophobicContact CB-CG1 3.73Å; D16-S26 VanDerWaalsContact OD1-CA 3.27Å; D16-S26 WeakPolarHBondContact OD1-CA 3.46Å; D16-S26 WeakPolarHBondContact OD1-CB 3.43Å; D16-S26 PolarHBondContact OD1-N 2.99Å; D16-S26 PolarHBondContact OD1-OG 3.48Å; D16-L62 HydrophobicContact CB-CD2 4.37Å; D16-L62 WeakPolarHBondContact O-CD2 3.46Å; D16-N63 PolarHBondContact N-OD1 2.93Å; D16-N63 PolarHBondContact O-ND2 2.84Å
17	I	91	Very high	82.5	Confident	7 Å²	7	67 Å²	67	4%	0.036	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.3	179.5	70.7	169.9	0	0	0	110.7	V15 V24 H25 A27 V41 W43 I54 L62	V15-I17 HydrophobicContact CG2-CG2 4.08Å; I17-V24 WeakPolarHBondContact O-CA 3.22Å; I17-H25 PolarHBondContact N-O 3.37Å; I17-H25 PolarHBondContact O-N 3.1Å; I17-A27 HydrophobicContact CD1-CB 3.77Å; I17-A27 HydrophobicContact CG1-CB 4.05Å; I17-A27 HydrophobicContact CG2-CB 4.21Å; I17-V41 HydrophobicContact CD1-CG2 3.92Å; I17-V41 HydrophobicContact CG2-CG1 4.46Å; I17-V41 HydrophobicContact CG2-CG2 4.25Å; I17-W43 HydrophobicContact CD1-CD2 4.36Å; I17-W43 HydrophobicContact CD1-CE3 3.69Å; I17-W43 HydrophobicContact CD1-CZ3 3.81Å; I17-I54 HydrophobicContact CB-CD1 4.05Å; I17-I54 HydrophobicContact CD1-CD1 4.18Å; I17-I54 HydrophobicContact CG2-CD1 3.94Å; I17-L62 VanDerWaalsContact C-CD2 3.46Å
18	Q	88.3	Confident	84.4	Confident	115 Å²	115	69.1 Å²	69.1	54%	0.537	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.8	179	-163.8	175.2	30.2	0	0	111.3	G22 V24 L62	Q18-G22 PolarHBondContact NE2-O 3.35Å; Q18-G22 VanDerWaalsContact NE2-O 3.07Å; Q18-V24 HydrophobicContact CG-CG2 4.44Å; Q18-L62 HydrophobicContact CB-CD1 4.35Å; Q18-L62 HydrophobicContact CB-CD2 3.99Å
19	R	82.7	Confident	85.8	Confident	70 Å²	70	64.7 Å²	64.7	26%	0.264	37%	0.369	S	S	.	.			trans	-81.8	163.5	174.6	-71.9	167.5	69	104.2	-13.1	111.7	D21 G22 R23 H25 E45	R19-D21 WeakPolarHBondContact CB-OD1 3.41Å; R19-D21 IonicContact NE-OD1 3.7Å; R19-D21 IonicContact NE-OD2 3.62Å; R19-D21 PolarHBondContact O-N 2.92Å; R19-G22 WeakPolarHBondContact O-CA 3.47Å; R19-G22 PolarHBondContact O-N 3.25Å; R19-R23 PolarHBondContact N-O 3.12Å; R19-H25 WeakPolarHBondContact CD-CD2 3.24Å; R19-H25 WeakPolarHBondContact CD-NE2 3.38Å; R19-H25 WeakPolarHBondContact CG-NE2 3.34Å; R19-E45 IonicContact CZ-OE1 2.71Å; R19-E45 IonicContact CZ-OE2 2.66Å; R19-E45 VanDerWaalsContact NH1-CD 3.3Å; R19-E45 IonicContact NH1-OE1 3.77Å; R19-E45 PolarHBondContact NH1-OE1 2.83Å; R19-E45 IonicContact NH1-OE2 3.82Å; R19-E45 PolarHBondContact NH1-OE2 3.46Å; R19-E45 IonicContact NH2-OE1 3.55Å; R19-E45 PolarHBondContact NH2-OE1 3.48Å; R19-E45 IonicContact NH2-OE2 3.64Å; R19-E45 PolarHBondContact NH2-OE2 2.96Å
20	T	79.1	Confident	86.5	Confident	156 Å²	156	65.4 Å²	65.4	96%	0.957	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.8	172.2	45	0	0	0	0	114.2	G22	T20-G22 VanDerWaalsContact C-N 3.27Å
21	D	80.6	Confident	86.8	Confident	74 Å²	74	64 Å²	64	40%	0.396	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	12.2	169.4	69.8	-3.2	0	0	0	113.3	R19 R23	R19-D21 WeakPolarHBondContact CB-OD1 3.41Å; R19-D21 IonicContact NE-OD1 3.7Å; R19-D21 IonicContact NE-OD2 3.62Å; R19-D21 PolarHBondContact O-N 2.92Å; D21-R23 PolarHBondContact O-N 2.98Å; D21-R23 WeakPolarHBondContact OD1-CB 3.49Å; D21-R23 WeakPolarHBondContact OD1-CG 3.47Å; D21-R23 PolarHBondContact OD1-N 2.86Å; D21-R23 VanDerWaalsContact OD2-CD 3.31Å; D21-R23 WeakPolarHBondContact OD2-CD 3.42Å; D21-R23 IonicContact OD2-CZ 2.64Å; D21-R23 IonicContact OD2-NE 3.32Å; D21-R23 PolarHBondContact OD2-NE 2.87Å; D21-R23 IonicContact OD2-NH1 3.95Å
22	G	80.6	Confident	87	Confident	43 Å²	43	62.6 Å²	62.6	44%	0.443	36%	0.355	S	S	.	.	S	Bend	trans	77.2	-7.1	178.6	0	0	0	0	0	115	Q18 R19 T20	Q18-G22 PolarHBondContact NE2-O 3.35Å; Q18-G22 VanDerWaalsContact NE2-O 3.07Å; R19-G22 WeakPolarHBondContact O-CA 3.47Å; R19-G22 PolarHBondContact O-N 3.25Å; T20-G22 VanDerWaalsContact C-N 3.27Å
23	R	81.8	Confident	87.2	Confident	170 Å²	170	62.9 Å²	62.9	64%	0.642	34%	0.344	S	S	*	.			trans	-75.7	136.2	-177.3	-60.1	177.7	-172.3	172.7	5	111.2	R19 D21	R19-R23 PolarHBondContact N-O 3.12Å; D21-R23 PolarHBondContact O-N 2.98Å; D21-R23 WeakPolarHBondContact OD1-CB 3.49Å; D21-R23 WeakPolarHBondContact OD1-CG 3.47Å; D21-R23 PolarHBondContact OD1-N 2.86Å; D21-R23 VanDerWaalsContact OD2-CD 3.31Å; D21-R23 WeakPolarHBondContact OD2-CD 3.42Å; D21-R23 IonicContact OD2-CZ 2.64Å; D21-R23 IonicContact OD2-NE 3.32Å; D21-R23 PolarHBondContact OD2-NE 2.87Å; D21-R23 IonicContact OD2-NH1 3.95Å
24	V	87.2	Confident	87	Confident	78 Å²	78	65.3 Å²	65.3	47%	0.473	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	137.4	168.9	-177.5	0	0	0	0	109.2	D16 I17 Q18 L62	D16-V24 HydrophobicContact CB-CG1 3.73Å; I17-V24 WeakPolarHBondContact O-CA 3.22Å; Q18-V24 HydrophobicContact CG-CG2 4.44Å; V24-L62 HydrophobicContact CG1-CD2 3.88Å; V24-L62 HydrophobicContact CG2-CD2 4.15Å
25	H	88.4	Confident	86.6	Confident	43 Å²	43	67.1 Å²	67.1	20%	0.199	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	157.1	166.2	68.6	90.4	0	0	0	110.6	I17 R19 W43	I17-H25 PolarHBondContact N-O 3.37Å; I17-H25 PolarHBondContact O-N 3.1Å; R19-H25 WeakPolarHBondContact CD-CD2 3.24Å; R19-H25 WeakPolarHBondContact CD-NE2 3.38Å; R19-H25 WeakPolarHBondContact CG-NE2 3.34Å; H25-W43 AromaticContact CE1-CD1 3.61Å; H25-W43 AromaticContact CE1-CD2 3.58Å; H25-W43 AromaticContact CE1-CE2 3.93Å; H25-W43 AromaticContact CE1-CG 3.37Å; H25-W43 AromaticContact CE1-NE1 3.93Å
26	S	88.8	Confident	86.4	Confident	73 Å²	73	70.9 Å²	70.9	51%	0.51	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	147.2	175.2	-39.5	0	0	0	0	112	V15 D16	V15-S26 CarbonylContact O-C 3.59Å; V15-S26 WeakPolarHBondContact O-CA 3.4Å; D16-S26 VanDerWaalsContact OD1-CA 3.27Å; D16-S26 WeakPolarHBondContact OD1-CA 3.46Å; D16-S26 WeakPolarHBondContact OD1-CB 3.43Å; D16-S26 PolarHBondContact OD1-N 2.99Å; D16-S26 PolarHBondContact OD1-OG 3.48Å
27	A	91.2	Very high	86.2	Confident	3 Å²	3	73 Å²	73	3%	0.025	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	164.8	172.8	0	0	0	0	0	108.7	N14 V15 I17 V41 E42 W43	N14-A27 CarbonylContact C-O 3.38Å; N14-A27 WeakPolarHBondContact CA-O 3.23Å; V15-A27 PolarHBondContact N-O 3.46Å; V15-A27 PolarHBondContact O-N 2.87Å; V15-A27 VanDerWaalsContact O-O 3.11Å; I17-A27 HydrophobicContact CD1-CB 3.77Å; I17-A27 HydrophobicContact CG1-CB 4.05Å; I17-A27 HydrophobicContact CG2-CB 4.21Å; A27-V41 HydrophobicContact CB-CB 4.06Å; A27-E42 CarbonylContact C-O 3.55Å; A27-E42 WeakPolarHBondContact CA-O 3.27Å; A27-E42 WeakPolarHBondContact CB-O 3.45Å; A27-W43 HydrophobicContact CB-CB 4.06Å; A27-W43 HydrophobicContact CB-CE3 4.44Å
28	I	91.8	Very high	86.1	Confident	79 Å²	79	73 Å²	73	41%	0.405	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.5	177.8	-62.7	166.4	0	0	0	108.3	N14 S30 V41 E42	N14-I28 WeakPolarHBondContact OD1-CG1 3.01Å; I28-S30 PolarHBondContact O-N 3.4Å; I28-V41 CarbonylContact O-C 3.59Å; I28-V41 VanDerWaalsContact O-CA 3.3Å; I28-V41 WeakPolarHBondContact O-CA 3.48Å; I28-E42 PolarHBondContact N-O 2.68Å; I28-E42 PolarHBondContact O-N 2.88Å
29	V	91.8	Very high	86.2	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	115.3	169.8	177.6	0	0	0	0	109.2	L9 V11 G12 I13 V15 I32 V39 V41	L9-V29 HydrophobicContact CD1-CG2 4.03Å; V11-V29 CarbonylContact C-O 3.59Å; V11-V29 WeakPolarHBondContact CA-O 3.49Å; V11-V29 HydrophobicContact CG2-CG1 4.5Å; G12-V29 PolarHBondContact N-O 3.21Å; I13-V29 PolarHBondContact O-N 3.03Å; V15-V29 HydrophobicContact CB-CG2 4.48Å; V15-V29 HydrophobicContact CG1-CG2 3.72Å; V15-V29 HydrophobicContact CG2-CG2 3.84Å; V29-I32 HydrophobicContact CG1-CD1 4.12Å; V29-I32 HydrophobicContact CG1-CG1 3.66Å; V29-V39 HydrophobicContact CB-CG1 4.35Å; V29-V39 HydrophobicContact CG1-CG1 3.64Å; V29-V39 HydrophobicContact CG2-CG1 3.92Å; V29-V41 HydrophobicContact CG2-CG1 4.29Å
30	S	89.2	Confident	86.7	Confident	41 Å²	41	66.6 Å²	66.6	29%	0.287	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-21.3	175.4	63.6	0	0	0	0	113.3	I28 T40 E42	I28-S30 PolarHBondContact O-N 3.4Å; S30-T40 PolarHBondContact N-O 3.26Å; S30-T40 PolarHBondContact OG-O 3.44Å; S30-E42 WeakPolarHBondContact CB-OE1 3.41Å; S30-E42 PolarHBondContact OG-OE1 3.5Å
31	G	87.4	Confident	87.4	Confident	19 Å²	19	59.2 Å²	59.2	20%	0.196	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	153.2	175.2	0	0	0	0	0	112.8	V39 T40	G31-V39 CarbonylContact O-C 3.56Å; G31-V39 WeakPolarHBondContact O-CA 3.3Å; G31-T40 PolarHBondContact N-O 3.48Å; G31-T40 PolarHBondContact O-N 3.38Å
32	I	89.6	Confident	88	Confident	67 Å²	67	59.5 Å²	59.5	34%	0.344	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.4	174.4	-57.7	173.2	0	0	0	106.9	L9 V11 V29 V39	L9-I32 HydrophobicContact CB-CD1 4.35Å; L9-I32 HydrophobicContact CD2-CD1 3.94Å; L9-I32 HydrophobicContact CD2-CG1 4.19Å; L9-I32 HydrophobicContact CG-CD1 3.91Å; L9-I32 WeakPolarHBondContact O-CD1 3.46Å; V11-I32 HydrophobicContact CG2-CG1 4.47Å; V29-I32 HydrophobicContact CG1-CD1 4.12Å; V29-I32 HydrophobicContact CG1-CG1 3.66Å; I32-V39 HydrophobicContact CG1-CG1 4.4Å
33	N	86.3	Confident	88.5	Confident	59 Å²	59	59.1 Å²	59.1	32%	0.316	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	98.8	178.5	-172.3	-9.2	0	0	0	109.8	N35 T36 K37 S38	N33-N35 PolarHBondContact O-N 3.02Å; N33-N35 WeakPolarHBondContact OD1-CB 3.41Å; N33-N35 PolarHBondContact OD1-N 3.26Å; N33-T36 VanDerWaalsContact CB-OG1 3.28Å; N33-T36 WeakPolarHBondContact CB-OG1 3.44Å; N33-T36 PolarHBondContact ND2-OG1 2.98Å; N33-T36 PolarHBondContact O-N 2.93Å; N33-T36 PolarHBondContact O-OG1 2.83Å; N33-K37 PolarHBondContact O-N 3.31Å; N33-K37 VanDerWaalsContact O-N 3.11Å; N33-S38 PolarHBondContact N-O 2.85Å; N33-S38 PolarHBondContact O-N 3.25Å
34	P	81.8	Confident	88.8	Confident	98 Å²	98	59.5 Å²	59.5	64%	0.636	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-24	-177.2	27.3	-34.5	0	0	0	112.8
35	N	80.3	Confident	88.6	Confident	151 Å²	151	57.9 Å²	57.9	81%	0.807	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-37.6	-177.8	-61.3	-30.5	0	0	0	112.2	N33	N33-N35 PolarHBondContact O-N 3.02Å; N33-N35 WeakPolarHBondContact OD1-CB 3.41Å; N33-N35 PolarHBondContact OD1-N 3.26Å
36	T	86.1	Confident	88.1	Confident	80 Å²	80	65.2 Å²	65.2	49%	0.491	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-1.6	178.3	47.9	0	0	0	0	113.1	N33 S38	N33-T36 VanDerWaalsContact CB-OG1 3.28Å; N33-T36 WeakPolarHBondContact CB-OG1 3.44Å; N33-T36 PolarHBondContact ND2-OG1 2.98Å; N33-T36 PolarHBondContact O-N 2.93Å; N33-T36 PolarHBondContact O-OG1 2.83Å; T36-S38 PolarHBondContact O-N 3.46Å; T36-S38 PolarHBondContact OG1-OG 2.99Å
37	K	86.4	Confident	87.6	Confident	107 Å²	107	65.4 Å²	65.4	47%	0.465	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	37.2	-174.8	-53.3	-178.2	177.2	-157.5	0	112.7	Y4 N33 L56	Y4-K37 VanDerWaalsContact OH-CD 3.32Å; Y4-K37 WeakPolarHBondContact OH-CD 3.49Å; Y4-K37 WeakPolarHBondContact OH-CE 3.3Å; Y4-K37 PolarHBondContact OH-NZ 2.87Å; N33-K37 PolarHBondContact O-N 3.31Å; N33-K37 VanDerWaalsContact O-N 3.11Å; K37-L56 WeakPolarHBondContact O-CB 3.49Å; K37-L56 PolarHBondContact O-N 2.94Å
38	S	89.7	Confident	86.9	Confident	8 Å²	8	70.8 Å²	70.8	6%	0.056	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	161.1	-174.2	62.4	0	0	0	0	112.5	N33 T36 E53 I54	N33-S38 PolarHBondContact N-O 2.85Å; N33-S38 PolarHBondContact O-N 3.25Å; T36-S38 PolarHBondContact O-N 3.46Å; T36-S38 PolarHBondContact OG1-OG 2.99Å; S38-E53 VanDerWaalsContact CB-OE1 3.23Å; S38-E53 WeakPolarHBondContact CB-OE1 3.34Å; S38-E53 PolarHBondContact OG-OE1 2.82Å; S38-I54 CarbonylContact C-O 3.57Å; S38-I54 WeakPolarHBondContact CA-O 3.31Å
39	V	90.4	Very high	86.6	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	123.7	-174.4	-174.5	0	0	0	0	107.9	L9 V29 G31 I32 V41 I54 L56 I59	L9-V39 HydrophobicContact CD2-CB 4.46Å; L9-V39 HydrophobicContact CD2-CG1 4.03Å; L9-V39 HydrophobicContact CD2-CG2 3.53Å; V29-V39 HydrophobicContact CB-CG1 4.35Å; V29-V39 HydrophobicContact CG1-CG1 3.64Å; V29-V39 HydrophobicContact CG2-CG1 3.92Å; G31-V39 CarbonylContact O-C 3.56Å; G31-V39 WeakPolarHBondContact O-CA 3.3Å; I32-V39 HydrophobicContact CG1-CG1 4.4Å; V39-V41 HydrophobicContact CG1-CG1 4.11Å; V39-I54 PolarHBondContact N-O 3.26Å; V39-I54 PolarHBondContact O-N 3.03Å; V39-L56 HydrophobicContact CG2-CB 4.23Å; V39-L56 HydrophobicContact CG2-CD1 3.79Å; V39-I59 HydrophobicContact CB-CD1 3.6Å; V39-I59 HydrophobicContact CG1-CD1 3.65Å; V39-I59 HydrophobicContact CG2-CD1 4.07Å
40	T	93	Very high	86.4	Confident	50 Å²	50	72.7 Å²	72.7	31%	0.307	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.8	172.1	-47.4	0	0	0	0	108.4	S30 G31	S30-T40 PolarHBondContact N-O 3.26Å; S30-T40 PolarHBondContact OG-O 3.44Å; G31-T40 PolarHBondContact N-O 3.48Å; G31-T40 PolarHBondContact O-N 3.38Å
41	V	92.8	Very high	86.4	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	144.4	178.4	-66.5	0	0	0	0	110.9	V15 I17 A27 I28 V29 V39 G51 K52 I54 I59	V15-V41 HydrophobicContact CG2-CG1 3.73Å; I17-V41 HydrophobicContact CD1-CG2 3.92Å; I17-V41 HydrophobicContact CG2-CG1 4.46Å; I17-V41 HydrophobicContact CG2-CG2 4.25Å; A27-V41 HydrophobicContact CB-CB 4.06Å; I28-V41 CarbonylContact O-C 3.59Å; I28-V41 VanDerWaalsContact O-CA 3.3Å; I28-V41 WeakPolarHBondContact O-CA 3.48Å; V29-V41 HydrophobicContact CG2-CG1 4.29Å; V39-V41 HydrophobicContact CG1-CG1 4.11Å; V41-G51 CarbonylContact O-C 3.59Å; V41-G51 VanDerWaalsContact O-CA 3.29Å; V41-G51 WeakPolarHBondContact O-CA 3.48Å; V41-K52 VanDerWaalsContact CG2-O 3.29Å; V41-K52 WeakPolarHBondContact CG2-O 3.42Å; V41-K52 PolarHBondContact N-O 3.44Å; V41-K52 PolarHBondContact O-N 2.83Å; V41-I54 HydrophobicContact CG2-CD1 3.52Å; V41-I54 HydrophobicContact CG2-CG1 3.98Å; V41-I59 HydrophobicContact CG1-CD1 3.77Å
42	E	93	Very high	86.6	Confident	81 Å²	81	77.5 Å²	77.5	38%	0.379	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.2	-179.1	-79.9	167.5	-141.4	0	0	112.1	A27 I28 S30 K50	A27-E42 CarbonylContact C-O 3.55Å; A27-E42 WeakPolarHBondContact CA-O 3.27Å; A27-E42 WeakPolarHBondContact CB-O 3.45Å; I28-E42 PolarHBondContact N-O 2.68Å; I28-E42 PolarHBondContact O-N 2.88Å; S30-E42 WeakPolarHBondContact CB-OE1 3.41Å; S30-E42 PolarHBondContact OG-OE1 3.5Å; E42-K50 VanDerWaalsContact CA-O 3.3Å; E42-K50 WeakPolarHBondContact CA-O 3.43Å
43	W	92.3	Very high	86.7	Confident	35 Å²	35	79.7 Å²	79.7	13%	0.133	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	162.6	173.7	70.3	95.4	0	0	0	111.3	I17 H25 A27 K50 K52	I17-W43 HydrophobicContact CD1-CD2 4.36Å; I17-W43 HydrophobicContact CD1-CE3 3.69Å; I17-W43 HydrophobicContact CD1-CZ3 3.81Å; H25-W43 AromaticContact CE1-CD1 3.61Å; H25-W43 AromaticContact CE1-CD2 3.58Å; H25-W43 AromaticContact CE1-CE2 3.93Å; H25-W43 AromaticContact CE1-CG 3.37Å; H25-W43 AromaticContact CE1-NE1 3.93Å; A27-W43 HydrophobicContact CB-CB 4.06Å; A27-W43 HydrophobicContact CB-CE3 4.44Å; W43-K50 HydrophobicContact CD2-CB 4.1Å; W43-K50 VanDerWaalsContact CE3-O 3.22Å; W43-K50 HydrophobicContact CH2-CB 4.13Å; W43-K50 HydrophobicContact CZ2-CB 3.67Å; W43-K50 HydrophobicContact CZ2-CD 4.24Å; W43-K50 PolarHBondContact N-O 3.11Å; W43-K50 PolarHBondContact O-N 3.25Å; W43-K52 HydrophobicContact CH2-CB 3.88Å; W43-K52 HydrophobicContact CZ3-CB 3.72Å
44	Y	86.9	Confident	86.8	Confident	178 Å²	178	78 Å²	78	70%	0.698	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.2	177.7	-75.5	-100.1	0	0	0	110.5	E48 A49	Y44-E48 WeakPolarHBondContact CA-O 3.45Å; Y44-A49 HydrophobicContact CD1-CB 4.28Å; Y44-A49 HydrophobicContact CE1-CB 3.83Å; Y44-A49 HydrophobicContact CE2-CB 4.44Å
45	E	83.5	Confident	87.2	Confident	44 Å²	44	80.3 Å²	80.3	21%	0.206	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	122.3	177.9	-177.3	179.8	-164.9	0	0	109.8	R19 G47 E48 K50	R19-E45 IonicContact CZ-OE1 2.71Å; R19-E45 IonicContact CZ-OE2 2.66Å; R19-E45 VanDerWaalsContact NH1-CD 3.3Å; R19-E45 IonicContact NH1-OE1 3.77Å; R19-E45 PolarHBondContact NH1-OE1 2.83Å; R19-E45 IonicContact NH1-OE2 3.82Å; R19-E45 PolarHBondContact NH1-OE2 3.46Å; R19-E45 IonicContact NH2-OE1 3.55Å; R19-E45 PolarHBondContact NH2-OE1 3.48Å; R19-E45 IonicContact NH2-OE2 3.64Å; R19-E45 PolarHBondContact NH2-OE2 2.96Å; E45-G47 PolarHBondContact O-N 3.27Å; E45-G47 VanDerWaalsContact O-N 3.13Å; E45-E48 PolarHBondContact N-O 2.91Å; E45-E48 PolarHBondContact O-N 3.49Å; E45-E48 VanDerWaalsContact O-N 3.08Å; E45-K50 HydrophobicContact CB-CD 4.31Å; E45-K50 IonicContact OE2-NZ 3.26Å; E45-K50 PolarHBondContact OE2-NZ 2.88Å
46	K	78	Confident	87.4	Confident	197 Å²	197	74.4 Å²	74.4	86%	0.857	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	21.8	178.2	-59.6	176.1	-177.7	179	0	115.9
47	G	78.3	Confident	87.3	Confident	76 Å²	76	74.7 Å²	74.7	78%	0.784	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.8	-9	-178.4	0	0	0	0	0	114.1	E45	E45-G47 PolarHBondContact O-N 3.27Å; E45-G47 VanDerWaalsContact O-N 3.13Å
48	E	75.7	Confident	87.3	Confident	117 Å²	117	71.7 Å²	71.7	55%	0.547	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.9	173.6	-60.2	170.5	156	0	0	110.2	Y44 E45 K50	Y44-E48 WeakPolarHBondContact CA-O 3.45Å; E45-E48 PolarHBondContact N-O 2.91Å; E45-E48 PolarHBondContact O-N 3.49Å; E45-E48 VanDerWaalsContact O-N 3.08Å; E48-K50 WeakPolarHBondContact OE2-CE 3.29Å; E48-K50 IonicContact OE2-NZ 3.7Å; E48-K50 PolarHBondContact OE2-NZ 3.11Å
49	A	86.6	Confident	87.1	Confident	59 Å²	59	71.5 Å²	71.5	49%	0.488	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	135.4	161.6	0	0	0	0	0	108.9	Y44	Y44-A49 HydrophobicContact CD1-CB 4.28Å; Y44-A49 HydrophobicContact CE1-CB 3.83Å; Y44-A49 HydrophobicContact CE2-CB 4.44Å
50	K	87.2	Confident	86.8	Confident	60 Å²	60	72.6 Å²	72.6	26%	0.261	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	125	-179.1	-62.7	-175.8	-173.2	179.9	0	109.5	E42 W43 E45 E48	E42-K50 VanDerWaalsContact CA-O 3.3Å; E42-K50 WeakPolarHBondContact CA-O 3.43Å; W43-K50 HydrophobicContact CD2-CB 4.1Å; W43-K50 VanDerWaalsContact CE3-O 3.22Å; W43-K50 HydrophobicContact CH2-CB 4.13Å; W43-K50 HydrophobicContact CZ2-CB 3.67Å; W43-K50 HydrophobicContact CZ2-CD 4.24Å; W43-K50 PolarHBondContact N-O 3.11Å; W43-K50 PolarHBondContact O-N 3.25Å; E45-K50 HydrophobicContact CB-CD 4.31Å; E45-K50 IonicContact OE2-NZ 3.26Å; E45-K50 PolarHBondContact OE2-NZ 2.88Å; E48-K50 WeakPolarHBondContact OE2-CE 3.29Å; E48-K50 IonicContact OE2-NZ 3.7Å; E48-K50 PolarHBondContact OE2-NZ 3.11Å
51	G	89.6	Confident	86.4	Confident	53 Å²	53	76.3 Å²	76.3	55%	0.546	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	150.4	172.4	0	0	0	0	0	111.7	V41	V41-G51 CarbonylContact O-C 3.59Å; V41-G51 VanDerWaalsContact O-CA 3.29Å; V41-G51 WeakPolarHBondContact O-CA 3.48Å
52	K	90.9	Very high	86	Confident	108 Å²	108	79.1 Å²	79.1	47%	0.47	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	141.3	164.2	-171.4	-176.6	172.5	-168.6	0	110.3	V41 W43 I54	V41-K52 VanDerWaalsContact CG2-O 3.29Å; V41-K52 WeakPolarHBondContact CG2-O 3.42Å; V41-K52 PolarHBondContact N-O 3.44Å; V41-K52 PolarHBondContact O-N 2.83Å; W43-K52 HydrophobicContact CH2-CB 3.88Å; W43-K52 HydrophobicContact CZ3-CB 3.72Å; K52-I54 HydrophobicContact CD-CD1 4.44Å; K52-I54 HydrophobicContact CD-CG1 4.13Å; K52-I54 HydrophobicContact CG-CG1 4.18Å
53	E	91.4	Very high	85.6	Confident	112 Å²	112	76 Å²	76	52%	0.523	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	130	166.2	-171	170.2	-167.8	0	0	110.2	S38	S38-E53 VanDerWaalsContact CB-OE1 3.23Å; S38-E53 WeakPolarHBondContact CB-OE1 3.34Å; S38-E53 PolarHBondContact OG-OE1 2.82Å
54	I	89.3	Confident	84.8	Confident	24 Å²	24	78.2 Å²	78.2	12%	0.123	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140	-177	-55.6	-176	0	0	0	108.7	I17 S38 V39 V41 K52 A58 I59	I17-I54 HydrophobicContact CB-CD1 4.05Å; I17-I54 HydrophobicContact CD1-CD1 4.18Å; I17-I54 HydrophobicContact CG2-CD1 3.94Å; S38-I54 CarbonylContact C-O 3.57Å; S38-I54 WeakPolarHBondContact CA-O 3.31Å; V39-I54 PolarHBondContact N-O 3.26Å; V39-I54 PolarHBondContact O-N 3.03Å; V41-I54 HydrophobicContact CG2-CD1 3.52Å; V41-I54 HydrophobicContact CG2-CG1 3.98Å; K52-I54 HydrophobicContact CD-CD1 4.44Å; K52-I54 HydrophobicContact CD-CG1 4.13Å; K52-I54 HydrophobicContact CG-CG1 4.18Å; I54-A58 HydrophobicContact CG2-CB 3.98Å; I54-I59 HydrophobicContact CB-CD1 4.28Å; I54-I59 HydrophobicContact CB-CG1 4.26Å; I54-I59 HydrophobicContact CG2-CD1 4.42Å; I54-I59 HydrophobicContact CG2-CG1 3.86Å
55	E	89.1	Confident	84.1	Confident	146 Å²	146	76.8 Å²	76.8	68%	0.682	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61	137.2	174	-64.7	-177.1	164.2	0	0	111.3	E57 A58 I59	E55-E57 PolarHBondContact O-N 2.86Å; E55-A58 WeakPolarHBondContact O-CB 3.41Å; E55-A58 PolarHBondContact O-N 2.75Å; E55-I59 PolarHBondContact O-N 2.74Å
56	L	86.2	Confident	83.6	Confident	28 Å²	28	75.6 Å²	75.6	15%	0.147	42%	0.416	C	S	.	.	H	α-helix	trans	-54	-41.1	-176.9	177	61.8	0	0	0	112.3	Y4 L9 K37 V39 A58 I59 L60	Y4-L56 HydrophobicContact CE1-CD2 4.37Å; L9-L56 HydrophobicContact CD2-CD1 3.53Å; K37-L56 WeakPolarHBondContact O-CB 3.49Å; K37-L56 PolarHBondContact O-N 2.94Å; V39-L56 HydrophobicContact CG2-CB 4.23Å; V39-L56 HydrophobicContact CG2-CD1 3.79Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 3.22Å; L56-I59 PolarHBondContact O-N 3.31Å; L56-L60 HydrophobicContact CD1-CD1 4.28Å; L56-L60 HydrophobicContact CD1-CG 4.4Å; L56-L60 HydrophobicContact CG-CD1 4.02Å; L56-L60 WeakPolarHBondContact O-CG 3.27Å; L56-L60 PolarHBondContact O-N 3.01Å
57	E	83.5	Confident	82.7	Confident	85 Å²	85	71.7 Å²	71.7	40%	0.397	40%	0.396	S	S	.	.	H	α-helix	trans	-64.2	-36.1	179.2	-179.4	54	-148.3	0	0	112.3	E55 L60 Q61 R67	E55-E57 PolarHBondContact O-N 2.86Å; E57-L60 CarbonylContact O-C 3.56Å; E57-L60 PolarHBondContact O-N 3.44Å; E57-Q61 WeakPolarHBondContact O-CB 3.3Å; E57-Q61 VanDerWaalsContact O-CG 3.28Å; E57-Q61 WeakPolarHBondContact O-CG 3.22Å; E57-Q61 PolarHBondContact O-N 2.99Å; E57-Q61 WeakPolarHBondContact OE1-CG 3.38Å; E57-Q61 PolarHBondContact OE1-NE2 3.27Å; E57-R67 IonicContact OE1-CZ 3.72Å; E57-R67 IonicContact OE1-NH1 3.57Å; E57-R67 IonicContact OE1-NH2 2.7Å; E57-R67 PolarHBondContact OE1-NH2 3.17Å; E57-R67 IonicContact OE2-NH2 3.52Å
58	A	85.5	Confident	81	Confident	45 Å²	45	76.5 Å²	76.5	37%	0.372	39%	0.392	S	S	.	.	H	α-helix	trans	-68.1	-36.3	177.4	0	0	0	0	0	112.1	I54 E55 L56 Q61 L62	I54-A58 HydrophobicContact CG2-CB 3.98Å; E55-A58 WeakPolarHBondContact O-CB 3.41Å; E55-A58 PolarHBondContact O-N 2.75Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 3.22Å; A58-Q61 PolarHBondContact O-N 2.94Å; A58-L62 PolarHBondContact O-N 3.27Å
59	I	86.3	Confident	79.1	Confident	3 Å²	3	76 Å²	76	2%	0.015	40%	0.402	C	S	.	.	H	α-helix	trans	-66.7	-44.9	171.5	-65.5	-171.4	0	0	0	110.4	L9 V15 V39 V41 I54 E55 L56 Q61 L62 N63 L66	L9-I59 HydrophobicContact CD1-CG2 4.31Å; V15-I59 HydrophobicContact CB-CG2 4.13Å; V15-I59 HydrophobicContact CG1-CG2 4.11Å; V15-I59 HydrophobicContact CG2-CD1 4.4Å; V15-I59 HydrophobicContact CG2-CG2 4.49Å; V39-I59 HydrophobicContact CB-CD1 3.6Å; V39-I59 HydrophobicContact CG1-CD1 3.65Å; V39-I59 HydrophobicContact CG2-CD1 4.07Å; V41-I59 HydrophobicContact CG1-CD1 3.77Å; I54-I59 HydrophobicContact CB-CD1 4.28Å; I54-I59 HydrophobicContact CB-CG1 4.26Å; I54-I59 HydrophobicContact CG2-CD1 4.42Å; I54-I59 HydrophobicContact CG2-CG1 3.86Å; E55-I59 PolarHBondContact O-N 2.74Å; L56-I59 PolarHBondContact O-N 3.31Å; I59-Q61 VanDerWaalsContact C-N 3.26Å; I59-Q61 PolarHBondContact O-N 2.85Å; I59-L62 PolarHBondContact O-N 2.89Å; I59-N63 VanDerWaalsContact O-CB 3.31Å; I59-N63 WeakPolarHBondContact O-CB 3.33Å; I59-N63 PolarHBondContact O-N 3.01Å; I59-N63 PolarHBondContact O-ND2 3.22Å; I59-L66 HydrophobicContact CG2-CD1 4.41Å
60	L	84.8	Confident	76.1	Confident	23 Å²	23	77.7 Å²	77.7	12%	0.12	41%	0.409	C	S	.	.	H	α-helix	trans	-65.3	-25.5	177.5	-69.1	172.6	0	0	0	113.1	L56 E57 L66 R67	L56-L60 HydrophobicContact CD1-CD1 4.28Å; L56-L60 HydrophobicContact CD1-CG 4.4Å; L56-L60 HydrophobicContact CG-CD1 4.02Å; L56-L60 WeakPolarHBondContact O-CG 3.27Å; L56-L60 PolarHBondContact O-N 3.01Å; E57-L60 CarbonylContact O-C 3.56Å; E57-L60 PolarHBondContact O-N 3.44Å; L60-L66 HydrophobicContact CD2-CB 4.06Å; L60-R67 HydrophobicContact CB-CG 4.34Å; L60-R67 HydrophobicContact CD2-CG 4.33Å; L60-R67 PolarHBondContact O-NE 2.97Å; L60-R67 PolarHBondContact O-NH2 3.32Å
61	Q	84.1	Confident	73.3	Confident	128 Å²	128	80.9 Å²	80.9	60%	0.598	44%	0.435	S	S	*	.	H	α-helix	trans	-73.7	-43.7	172.4	-76.3	175	18.6	0	0	112.3	E57 A58 I59 R67	E57-Q61 WeakPolarHBondContact O-CB 3.3Å; E57-Q61 VanDerWaalsContact O-CG 3.28Å; E57-Q61 WeakPolarHBondContact O-CG 3.22Å; E57-Q61 PolarHBondContact O-N 2.99Å; E57-Q61 WeakPolarHBondContact OE1-CG 3.38Å; E57-Q61 PolarHBondContact OE1-NE2 3.27Å; A58-Q61 PolarHBondContact O-N 2.94Å; I59-Q61 VanDerWaalsContact C-N 3.26Å; I59-Q61 PolarHBondContact O-N 2.85Å; Q61-R67 VanDerWaalsContact CG-NH2 3.34Å
62	L	84.8	Confident	70.4	Confident	60 Å²	60	84.5 Å²	84.5	31%	0.314	44%	0.441	S	S	.	.	H	α-helix	trans	-77.1	-24.8	179.8	-141.7	77.2	0	0	0	113.1	D16 I17 Q18 V24 A58 I59 P64	D16-L62 HydrophobicContact CB-CD2 4.37Å; D16-L62 WeakPolarHBondContact O-CD2 3.46Å; I17-L62 VanDerWaalsContact C-CD2 3.46Å; Q18-L62 HydrophobicContact CB-CD1 4.35Å; Q18-L62 HydrophobicContact CB-CD2 3.99Å; V24-L62 HydrophobicContact CG1-CD2 3.88Å; V24-L62 HydrophobicContact CG2-CD2 4.15Å; A58-L62 PolarHBondContact O-N 3.27Å; I59-L62 PolarHBondContact O-N 2.89Å; L62-P64 VanDerWaalsContact C-CD 3.45Å; L62-P64 VanDerWaalsContact O-CD 3.23Å; L62-P64 WeakPolarHBondContact O-CD 3.49Å
63	N	84.6	Confident	67.5	Low	16 Å²	16	85.2 Å²	85.2	9%	0.086	46%	0.455	C	S	.	.			trans	-116.6	71.9	-177.9	-59.4	-94.8	0	0	0	110.8	D16 I59 N65 L66	D16-N63 PolarHBondContact N-OD1 2.93Å; D16-N63 PolarHBondContact O-ND2 2.84Å; I59-N63 VanDerWaalsContact O-CB 3.31Å; I59-N63 WeakPolarHBondContact O-CB 3.33Å; I59-N63 PolarHBondContact O-N 3.01Å; I59-N63 PolarHBondContact O-ND2 3.22Å; N63-N65 PolarHBondContact O-N 3.25Å; N63-N65 VanDerWaalsContact O-N 3.07Å; N63-L66 HydrophobicContact CB-CB 4.46Å; N63-L66 HydrophobicContact CB-CD1 3.52Å; N63-L66 HydrophobicContact CB-CG 3.81Å; N63-L66 PolarHBondContact O-N 2.74Å
64	P	74.7	Confident	64.5	Low	81 Å²	81	86.8 Å²	86.8	53%	0.526	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-58.5	-26.5	-178	24	-34.6	0	0	0	113	L62 L66 R67	L62-P64 VanDerWaalsContact C-CD 3.45Å; L62-P64 VanDerWaalsContact O-CD 3.23Å; L62-P64 WeakPolarHBondContact O-CD 3.49Å; P64-L66 PolarHBondContact O-N 3.09Å; P64-L66 VanDerWaalsContact O-N 3.13Å; P64-R67 WeakPolarHBondContact O-CB 3.47Å; P64-R67 PolarHBondContact O-N 3.42Å; P64-R67 VanDerWaalsContact O-N 3.11Å
65	N	73.2	Confident	61.7	Low	147 Å²	147	93 Å²	93	79%	0.786	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-63.2	-13	176.1	-57.2	-28.2	0	0	0	114.4	N63	N63-N65 PolarHBondContact O-N 3.25Å; N63-N65 VanDerWaalsContact O-N 3.07Å
66	L	71.7	Confident	58.9	Low	20 Å²	20	92 Å²	92	11%	0.105	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-96.5	-11.9	177.8	-54.5	178.5	0	0	0	112.7	I8 L9 V15 I59 L60 N63 P64	I8-L66 PolarHBondContact N-O 2.99Å; L9-L66 HydrophobicContact CD1-CD1 3.92Å; V15-L66 HydrophobicContact CG1-CD1 3.78Å; I59-L66 HydrophobicContact CG2-CD1 4.41Å; L60-L66 HydrophobicContact CD2-CB 4.06Å; N63-L66 HydrophobicContact CB-CB 4.46Å; N63-L66 HydrophobicContact CB-CD1 3.52Å; N63-L66 HydrophobicContact CB-CG 3.81Å; N63-L66 PolarHBondContact O-N 2.74Å; P64-L66 PolarHBondContact O-N 3.09Å; P64-L66 VanDerWaalsContact O-N 3.13Å
67	R	59	Low	56	Low	115 Å²	115	96.9 Å²	96.9	43%	0.434	54%	0.538	S	S	.	.	S	Bend	trans	-75.2	122.8	172.6	-63.9	-172.8	179.5	-116.8	-12.1	109	E57 L60 Q61 P64 S69	E57-R67 IonicContact OE1-CZ 3.72Å; E57-R67 IonicContact OE1-NH1 3.57Å; E57-R67 IonicContact OE1-NH2 2.7Å; E57-R67 PolarHBondContact OE1-NH2 3.17Å; E57-R67 IonicContact OE2-NH2 3.52Å; L60-R67 HydrophobicContact CB-CG 4.34Å; L60-R67 HydrophobicContact CD2-CG 4.33Å; L60-R67 PolarHBondContact O-NE 2.97Å; L60-R67 PolarHBondContact O-NH2 3.32Å; Q61-R67 VanDerWaalsContact CG-NH2 3.34Å; P64-R67 WeakPolarHBondContact O-CB 3.47Å; P64-R67 PolarHBondContact O-N 3.42Å; P64-R67 VanDerWaalsContact O-N 3.11Å; R67-S69 PolarHBondContact O-N 3.25Å; R67-S69 VanDerWaalsContact O-N 3.16Å
68	Y	43.7	Very low	53.4	Low	176 Å²	176	95.7 Å²	95.7	69%	0.69	55%	0.549	S	S	*	.			trans	-73.5	107	176.9	-133.2	-89.1	0	0	0	109.8	I8 C70	I8-Y68 HydrophobicContact CD1-CD2 4.13Å; I8-Y68 HydrophobicContact CD1-CE2 3.94Å; I8-Y68 HydrophobicContact CG1-CD2 3.73Å; I8-Y68 HydrophobicContact CG1-CE2 3.79Å; Y68-C70 PolarHBondContact O-N 3.15Å; Y68-C70 VanDerWaalsContact O-N 3.12Å
69	S	34	Very low	50.9	Low	107 Å²	107	99.5 Å²	99.5	75%	0.748	57%	0.568	S	S	*	*			trans	-76.2	95.6	173	57.8	0	0	0	0	109.5	R67 P71	R67-S69 PolarHBondContact O-N 3.25Å; R67-S69 VanDerWaalsContact O-N 3.16Å; S69-P71 VanDerWaalsContact O-CD 3.32Å; S69-P71 WeakPolarHBondContact O-CD 3.38Å
70	C	24.5	Very low	48.2	Very low	95 Å²	95	105.8 Å²	105.8	64%	0.642	61%	0.606	S	S	*	*			trans	-75.6	118.8	178.3	-163.9	0	0	0	0	110.9	Y68 I72	Y68-C70 PolarHBondContact O-N 3.15Å; Y68-C70 VanDerWaalsContact O-N 3.12Å; C70-I72 PolarHBondContact O-N 3.12Å
71	P	29.3	Very low	45.5	Very low	126 Å²	126	111.2 Å²	111.2	82%	0.818	64%	0.635	S	S	*	*			trans	-95.1	86.3	176.4	34.3	-24.7	0	0	0	110.1	S69	S69-P71 VanDerWaalsContact O-CD 3.32Å; S69-P71 WeakPolarHBondContact O-CD 3.38Å
72	I	27.4	Very low	43.2	Very low	130 Å²	130	113.3 Å²	113.3	67%	0.667	65%	0.649	S	S	*	*			trans	-101.7	136.8	163.7	-66.4	174.9	0	0	0	107.4	C70	C70-I72 PolarHBondContact O-N 3.12Å
73	T	29.6	Very low	40.6	Very low	123 Å²	123	114.7 Å²	114.7	76%	0.755	66%	0.664	S	S	*	*			trans	57.5	117.3	178.8	45.1	0	0	0	0	114.8
74	D	29.1	Very low	38.1	Very low	145 Å²	145	124.6 Å²	124.6	78%	0.775	70%	0.7	S	S	*	*				-162.7	172.8	65	-101.1	-30.9	0	0	0	113.8
75	N	30.5	Very low	36.1	Very low	154 Å²	154	127.1 Å²	127.1	82%	0.824	71%	0.709	S	S	*	*	S	Bend	trans	73.1	122.9	176.8	-64.1	-53.4	0	0	0	115.7
76	V	31.2	Very low	34	Very low	126 Å²	126	126.6 Å²	126.6	76%	0.764	71%	0.706	S	S	*	*			cis	-139.2	138.1	1.9	-179.4	0	0	0	0	110.1
77	C	25	Very low	32	Very low	129 Å²	129	133 Å²	133	87%	0.872	74%	0.74	S	S	*	*			trans	-72.6	125.4	167.9	178.9	0	0	0	0	110.7
78	G	29.3	Very low	30.5	Very low	61 Å²	61	132.9 Å²	132.9	63%	0.629	75%	0.752	S	S	*	*			trans	-141.6	35.2	-167.4	0	0	0	0	0	116.4
79	T	31.8	Very low	29.7	Very low	125 Å²	125	132 Å²	132	77%	0.767	75%	0.752	S	S	*	*			trans	62.5	152.7	170.2	64.1	0	0	0	0	115.3
80	V	30.8	Very low	29.3	Very low	134 Å²	134	133.6 Å²	133.6	81%	0.812	75%	0.747	S	S	*	*			cis	-135.5	142.5	45.8	-176.1	0	0	0	0	113.1
81	D	27.1	Very low	30.2	Very low	137 Å²	137	135.4 Å²	135.4	73%	0.733	76%	0.755	S	S	*	*			trans	-66.3	138.2	171.3	-62.1	-88.9	0	0	0	113.8
82	I	35.2	Very low	30.5	Very low	173 Å²	173	134.8 Å²	134.8	89%	0.887	75%	0.751	S	S	*	*			trans	-132.1	139.7	143	-63.6	-173.3	0	0	0	108.7
83	S	31.6	Very low	30.5	Very low	89 Å²	89	135.3 Å²	135.3	62%	0.622	76%	0.755	S	S	*	*			trans	-96.2	157.6	-169.2	-76.5	0	0	0	0	115
84	R	32.4	Very low	30.5	Very low	223 Å²	223	135 Å²	135	84%	0.842	76%	0.758	S	S	*	*			trans	73.6	104.4	148.9	-75.6	166.4	-176.6	149.5	2.6	120
85	N	30.9	Very low	30.5	Very low	135 Å²	135	132.6 Å²	132.6	72%	0.722	75%	0.752	S	S	*	*				59.8	130.6	107	-65.5	20.1	0	0	0	122
86	N	30.9	Very low	30.3	Very low	135 Å²	135	133.7 Å²	133.7	72%	0.722	75%	0.752	S	S	*	*			trans	92.1	142.8	131.4	-76	5.1	0	0	0	121
87	L	28.2	Very low	30.9	Very low	156 Å²	156	139 Å²	139	82%	0.817	76%	0.758	S	S	*	*			trans	67.2	149.7	167	-85.6	65.1	0	0	0	116.6
88	V	27.7	Very low	31.3	Very low	112 Å²	112	138.8 Å²	138.8	68%	0.679	76%	0.755	S	S	*	*			cis	176.8	148.3	-35.6	125.9	0	0	0	0	107.9
89	K	27.2	Very low	31.3	Very low	158 Å²	158	139 Å²	139	69%	0.687	76%	0.757	S	S	*	*			trans	69.6	147.6	161.6	-86.8	162.8	164.2	-95.1	0	121
90	E	25	Very low	31.2	Very low	140 Å²	140	139.1 Å²	139.1	65%	0.654	76%	0.758	S	S	*	*			trans	65.9	95.1	139.1	-73.1	144.3	-156.8	0	0	121.8
91	V	44.6	Very low	31.1	Very low	132 Å²	132	139.2 Å²	139.2	80%	0.8	75%	0.754	S	S	*	*				21.5	121.9	104.5	-173.6	0	0	0	0	114.6
92	P	34.6	Very low	31.6	Very low	114 Å²	114	139.5 Å²	139.5	74%	0.74	75%	0.754	S	S	*	*				-155.5	174.9	75.6	42.8	-23.1	0	0	0	119.9
93	N	28	Very low	31.5	Very low	141 Å²	141	136.4 Å²	136.4	75%	0.754	75%	0.745	S	S	*	*			trans	-13	150.4	159.9	-69.1	-18.7	0	0	0	121.5
94	S	30.1	Very low	31.5	Very low	116 Å²	116	136.9 Å²	136.9	81%	0.811	75%	0.745	S	S	*	*			trans	69.8	141.9	147.8	73.2	0	0	0	0	116.6
95	S	27.9	Very low	31.3	Very low	94 Å²	94	131.5 Å²	131.5	66%	0.657	73%	0.732	S	S	*	*			cis	-168	173	44.5	54.5	0	0	0	0	113.4
96	H	27.8	Very low	31.2	Very low	177 Å²	177	131.2 Å²	131.2	82%	0.819	73%	0.73	S	S	*	*			trans	48.9	118.4	151.4	-68.6	-56.2	0	0	0	122.4
97	R	42.8	Very low	31.1	Very low	238 Å²	238	129.1 Å²	129.1	90%	0.898	71%	0.712	S	S	*	*			trans	-44.2	141.5	137	-77.9	-175.6	175.3	-155.7	1.1	110
98	P	33.5	Very low	31.2	Very low	125 Å²	125	128 Å²	128	81%	0.812	70%	0.702	S	S	*	*				-122.9	168.3	61.6	13.4	8.6	0	0	0	113.3
99	G	29.8	Very low	31.3	Very low	64 Å²	64	126.8 Å²	126.8	66%	0.66	70%	0.698	S	S	*	*			cis	118.6	170.4	12.3	0	0	0	0	0	111.2
100	V	29.9	Very low	31.6	Very low	129 Å²	129	126.9 Å²	126.9	78%	0.782	70%	0.701	S	S	*	*			trans	69.9	128.4	171.6	-177.6	0	0	0	0	115.3
101	N	29.1	Very low	31.8	Very low	136 Å²	136	126.7 Å²	126.7	73%	0.727	71%	0.705	S	S	*	*			cis	-149.1	167	-18.3	-91.7	-10.1	0	0	0	105.5
102	L	36.6	Very low	31.2	Very low	143 Å²	143	124.9 Å²	124.9	75%	0.749	70%	0.698	S	S	*	*				53.7	156.8	53.7	-96.5	74.6	0	0	0	114.4
103	P	33.8	Very low	31.2	Very low	108 Å²	108	126.1 Å²	126.1	70%	0.701	70%	0.703	S	S	*	*			cis	-109.1	-168.9	4.6	28	-4.6	0	0	0	111.8
104	T	31.5	Very low	31.8	Very low	99 Å²	99	124.8 Å²	124.8	61%	0.607	70%	0.702	S	S	*	*			cis	59.2	154.6	38.7	15.8	0	0	0	0	112.4
105	D	28.3	Very low	31.8	Very low	109 Å²	109	125 Å²	125	58%	0.583	70%	0.698	S	S	*	*			cis	-171.7	178.8	20.7	-127.9	-37	0	0	0	110
106	I	28.9	Very low	31.8	Very low	129 Å²	129	126.9 Å²	126.9	66%	0.662	71%	0.706	S	S	*	*			trans	69.1	160	147.9	-77.4	161.5	0	0	0	119.3
107	R	28.1	Very low	32	Very low	92 Å²	92	122.3 Å²	122.3	35%	0.347	70%	0.699	S	S	.	*			cis	177.5	141.5	-44.9	-124.9	-178.5	-156	-143.6	-1.1	108.1	E220 D221	R107-E220 IonicContact CZ-OE2 2.78Å; R107-E220 IonicContact NE-OE2 3.28Å; R107-E220 PolarHBondContact NE-OE2 3.21Å; R107-E220 IonicContact NH2-OE2 3.14Å; R107-E220 PolarHBondContact NH2-OE2 3.4Å; R107-D221 IonicContact CZ-OD1 3.35Å; R107-D221 IonicContact NH2-OD1 2.72Å; R107-D221 PolarHBondContact NH2-OD1 2.96Å
108	Q	29.2	Very low	31.2	Very low	133 Å²	133	116.5 Å²	116.5	62%	0.621	70%	0.695	S	S	*	*			trans	65.5	162.3	161.4	-63.6	171.9	16.7	0	0	117.7	M218	Q108-M218 PolarHBondContact N-SD 3.48Å
109	S	31.6	Very low	31	Very low	85 Å²	85	115.5 Å²	115.5	59%	0.594	70%	0.697	S	S	*	*			cis	-168.4	167.9	-26.2	61.8	0	0	0	0	112.8
110	Q	31.8	Very low	30.9	Very low	160 Å²	160	116.6 Å²	116.6	75%	0.748	70%	0.7	S	S	*	*			trans	73	144.2	150.9	-78	-171.3	46.5	0	0	123.9
111	N	30.3	Very low	30.8	Very low	137 Å²	137	116.7 Å²	116.7	73%	0.733	70%	0.7	S	S	*	*			trans	70.8	144.2	152.9	-60.9	-29.8	0	0	0	119.7
112	S	31.8	Very low	31	Very low	93 Å²	93	118.3 Å²	118.3	65%	0.65	71%	0.708	S	S	*	*			cis	-174.2	147.2	-14.4	52.5	0	0	0	0	113.3
113	V	33.7	Very low	31	Very low	140 Å²	140	115.2 Å²	115.2	85%	0.848	70%	0.703	S	S	*	*			trans	75.9	149.6	144	161.9	0	0	0	0	116.9
114	P	42.1	Very low	31.7	Very low	114 Å²	114	115.7 Å²	115.7	74%	0.74	71%	0.706	S	S	*	*				-134.8	-136	-127.7	34.6	-10.9	0	0	0	115.5
115	V	29.2	Very low	32.4	Very low	120 Å²	120	115.6 Å²	115.6	73%	0.727	71%	0.707	S	S	*	*			trans	100	102.2	153.6	166.1	0	0	0	0	121.1
116	V	28.5	Very low	32.8	Very low	133 Å²	133	115.4 Å²	115.4	81%	0.806	71%	0.714	S	S	*	*				82.5	149.8	126	171.7	0	0	0	0	123.4
117	A	31.3	Very low	33.4	Very low	82 Å²	82	114.7 Å²	114.7	68%	0.678	71%	0.712	S	S	*	*			trans	79.3	131.8	168.5	0	0	0	0	0	117.2
118	S	26.7	Very low	33.9	Very low	116 Å²	116	118.7 Å²	118.7	81%	0.811	73%	0.732	S	S	*	*			cis	95.5	133.5	20.8	-61.7	0	0	0	0	115.6
119	A	28.1	Very low	34.4	Very low	104 Å²	104	118.6 Å²	118.6	86%	0.86	74%	0.74	S	S	*	*			trans	68.3	150.6	171.7	0	0	0	0	0	116.6
120	A	28.2	Very low	34.7	Very low	87 Å²	87	121.6 Å²	121.6	72%	0.719	75%	0.75	S	S	*	*			cis	-165.8	157	-19.3	0	0	0	0	0	111.9
121	V	28.8	Very low	35	Very low	130 Å²	130	118 Å²	118	79%	0.788	75%	0.747	S	S	*	*			trans	43.8	109.1	139.5	176.7	0	0	0	0	119.5
122	L	33	Very low	35.4	Very low	170 Å²	170	118.3 Å²	118.3	89%	0.89	75%	0.754	S	S	*	*				-176.2	154.1	122.6	-101.8	151.3	0	0	0	113.5
123	A	35.3	Very low	35.4	Very low	79 Å²	79	120.5 Å²	120.5	65%	0.653	75%	0.754	S	S	*	*			trans	-141.7	-160.2	176.7	0	0	0	0	0	107.1
124	P	50.1	Low	35.6	Very low	118 Å²	118	121.7 Å²	121.7	77%	0.766	75%	0.754	S	S	*	*			cis	-119.5	-108.5	-13.4	22.9	4.2	0	0	0	109.6
125	P	45.2	Very low	35.1	Very low	96 Å²	96	121 Å²	121	62%	0.623	74%	0.744	S	S	*	*			cis	-134.4	143.5	-41.9	33.5	-13.9	0	0	0	117.3
126	S	37.4	Very low	35.4	Very low	105 Å²	105	126.2 Å²	126.2	73%	0.734	75%	0.752	S	S	*	*			trans	65.5	164.3	150.2	75.2	0	0	0	0	118.1
127	N	40.5	Very low	35.5	Very low	115 Å²	115	124.7 Å²	124.7	62%	0.615	75%	0.748	S	S	*	*			cis	-136.1	163.2	-0.1	-76	-94.6	0	0	0	106.7
128	K	39.7	Very low	35.7	Very low	176 Å²	176	126.9 Å²	126.9	77%	0.765	76%	0.758	S	S	*	*			cis	-155.1	-149.7	-11.8	-104.1	170.9	177.1	128.3	0	104.5
129	V	40.1	Very low	36.1	Very low	130 Å²	130	125.3 Å²	125.3	79%	0.788	76%	0.76	S	S	*	*			cis	-149.5	154.2	11.6	179.5	0	0	0	0	109.5
130	N	37.5	Very low	36.3	Very low	149 Å²	149	127.4 Å²	127.4	80%	0.797	76%	0.757	S	S	*	*			trans	-32.4	155.1	166.4	-59.1	10.6	0	0	0	118.1
131	A	37.7	Very low	36.6	Very low	85 Å²	85	130.6 Å²	130.6	70%	0.702	76%	0.757	S	S	*	*			cis	-171.4	-170.3	-10.6	0	0	0	0	0	107.1
132	T	37.9	Very low	36.8	Very low	142 Å²	142	129.3 Å²	129.3	87%	0.871	75%	0.754	S	S	*	*			cis	-155.9	166.9	16.1	-33.6	0	0	0	0	110.3
133	Q	32.2	Very low	36.7	Very low	140 Å²	140	131.9 Å²	131.9	65%	0.654	75%	0.752	S	S	*	*			trans	-153.6	152.4	-170.3	175.9	-175.9	12.8	0	0	110.8	D135	Q133-D135 PolarHBondContact NE2-OD1 3.23Å; Q133-D135 PolarHBondContact NE2-OD2 2.91Å
134	I	38.4	Very low	36.5	Very low	164 Å²	164	134.3 Å²	134.3	84%	0.841	75%	0.753	S	S	*	*			trans	-142.6	128.1	154.7	-58.1	-176.1	0	0	0	108.4
135	D	31.2	Very low	35.7	Very low	101 Å²	101	135.9 Å²	135.9	54%	0.54	75%	0.753	S	S	.	*			trans	-102.2	-175.9	179.2	-51.9	-58.4	0	0	0	112.4	Q133	Q133-D135 PolarHBondContact NE2-OD1 3.23Å; Q133-D135 PolarHBondContact NE2-OD2 2.91Å
136	Y	35.4	Very low	35.2	Very low	229 Å²	229	135.4 Å²	135.4	90%	0.898	76%	0.758	S	S	*	*				-172.1	158.2	111.4	-97.5	-62.7	0	0	0	112
137	S	31.6	Very low	35.3	Very low	101 Å²	101	136.7 Å²	136.7	71%	0.706	76%	0.763	S	S	*	*			trans	-153.3	154.1	-170.8	61.2	0	0	0	0	114.9
138	S	34.7	Very low	35	Very low	128 Å²	128	136.2 Å²	136.2	90%	0.895	77%	0.769	S	S	*	*			trans	67.4	153.1	166.9	78.7	0	0	0	0	119
139	G	34.5	Very low	34.9	Very low	83 Å²	83	133.7 Å²	133.7	86%	0.856	77%	0.768	S	S	*	*			trans	160.7	90.9	177	0	0	0	0	0	114.1
140	N	33.1	Very low	34.8	Very low	147 Å²	147	138.2 Å²	138.2	79%	0.786	77%	0.771	S	S	*	*			trans	-91.1	163.2	-164.1	-157.8	-1.5	0	0	0	114.8
141	Q	34.8	Very low	34.9	Very low	155 Å²	155	137.5 Å²	137.5	72%	0.724	77%	0.772	S	S	*	*			trans	78.7	108.4	156.7	-58.5	-167.1	26.5	0	0	123.4
142	S	32.4	Very low	35.1	Very low	103 Å²	103	139.2 Å²	139.2	72%	0.72	78%	0.776	S	S	*	*				81.3	135.7	113.5	-61	0	0	0	0	124.1
143	R	31.2	Very low	35.4	Very low	224 Å²	224	138.4 Å²	138.4	85%	0.845	77%	0.771	S	S	*	*			trans	93.6	115.7	141.6	-95.4	-167.7	178.3	-151.8	0.4	121.8
144	L	30.2	Very low	36	Very low	130 Å²	130	137.8 Å²	137.8	68%	0.681	78%	0.778	S	S	*	*			trans	98	118.4	136.9	-62.7	169.7	0	0	0	121.4
145	I	33.2	Very low	36	Very low	150 Å²	150	135 Å²	135	77%	0.769	77%	0.773	S	S	*	*			trans	71.6	120.5	134.9	-61.8	170.3	0	0	0	118.7
146	A	36.5	Very low	36.5	Very low	87 Å²	87	135.8 Å²	135.8	72%	0.719	79%	0.787	S	S	*	*			trans	-93.2	161.9	161.6	0	0	0	0	0	111.2
147	P	39	Very low	36.6	Very low	131 Å²	131	135.6 Å²	135.6	85%	0.851	79%	0.785	S	S	*	*				-142.8	176	115.8	37.3	-23	0	0	0	115.3
148	S	34	Very low	36.8	Very low	105 Å²	105	136.9 Å²	136.9	73%	0.734	79%	0.788	S	S	*	*			trans	-94.3	153.4	-175.8	170.6	0	0	0	0	113.6
149	T	38.2	Very low	37.1	Very low	123 Å²	123	135.6 Å²	135.6	76%	0.755	78%	0.777	S	S	*	*				-179.1	140.5	125.5	23	0	0	0	0	116.1
150	R	37.1	Very low	37	Very low	226 Å²	226	138.4 Å²	138.4	85%	0.853	78%	0.778	S	S	*	*			trans	60.4	121.4	150.1	-68.7	-179.3	176.6	-170.7	-1.8	120.1
151	V	39.9	Very low	37	Very low	133 Å²	133	135.1 Å²	135.1	81%	0.806	78%	0.778	S	S	*	*				81.1	134.3	63.9	163	0	0	0	0	112.1
152	P	41.7	Very low	37	Very low	122 Å²	122	136.5 Å²	136.5	79%	0.792	78%	0.784	S	S	*	*			cis	-136.1	-170.3	33	37.7	-16	0	0	0	118.8
153	V	43.6	Very low	37.1	Very low	125 Å²	125	137.6 Å²	137.6	76%	0.758	79%	0.786	S	S	*	*			trans	-99.5	165.9	-177.9	-139	0	0	0	0	112.2
154	P	45.4	Very low	37.7	Very low	126 Å²	126	131.8 Å²	131.8	82%	0.818	78%	0.778	S	S	*	*				-140.3	160.3	84	38.6	-24.1	0	0	0	114.1
155	S	38.3	Very low	37.9	Very low	105 Å²	105	131.5 Å²	131.5	73%	0.734	78%	0.782	S	S	*	*			cis	103.4	91.8	11.7	-164.8	0	0	0	0	117.1
156	S	42	Very low	38	Very low	119 Å²	119	135.4 Å²	135.4	83%	0.832	79%	0.787	S	S	*	*			trans	-177	166.8	136.3	56	0	0	0	0	109.6
157	R	36.4	Very low	37.9	Very low	225 Å²	225	136.2 Å²	136.2	85%	0.849	79%	0.787	S	S	*	*			cis	169.9	105.6	-33.5	-164.1	174.6	-162.7	-170	4.2	104.1
158	V	37.6	Very low	37.8	Very low	128 Å²	128	135.6 Å²	135.6	78%	0.776	78%	0.781	S	S	*	*				65.6	132.7	80.9	165.4	0	0	0	0	113
159	P	40.5	Very low	37.8	Very low	101 Å²	101	136.6 Å²	136.6	66%	0.656	78%	0.783	S	S	*	*			cis	-149.5	-164.5	-20.1	42.2	-20.1	0	0	0	116.3
160	T	33	Very low	37.6	Very low	142 Å²	142	137.8 Å²	137.8	87%	0.871	78%	0.783	S	S	*	*			trans	50.3	138.1	151.1	55.1	0	0	0	0	123.8
161	G	31.3	Very low	37.3	Very low	78 Å²	78	131.9 Å²	131.9	80%	0.804	78%	0.776	S	S	*	*			trans	168.5	138.4	154.4	0	0	0	0	0	118.1
162	H	34.9	Very low	37	Very low	183 Å²	183	129.6 Å²	129.6	85%	0.847	77%	0.772	S	S	*	*			trans	-55.2	150.2	173.4	-63.2	-57.5	0	0	0	114.3
163	V	36.1	Very low	36.7	Very low	126 Å²	126	134.4 Å²	134.4	76%	0.764	78%	0.775	S	S	*	*				60.6	132.5	59.5	178.8	0	0	0	0	112.1
164	P	42	Very low	36.3	Very low	103 Å²	103	135.2 Å²	135.2	67%	0.669	78%	0.776	S	S	*	*			cis	-139.3	-179.8	-7	38.2	-17.1	0	0	0	118
165	T	34.7	Very low	36	Very low	124 Å²	124	134.5 Å²	134.5	76%	0.761	77%	0.765	S	S	*	*			trans	45.4	119	145.1	54	0	0	0	0	124.7
166	R	35.8	Very low	35.8	Very low	232 Å²	232	139.1 Å²	139.1	88%	0.875	77%	0.766	S	S	*	*				171.8	131.4	112.5	-98.1	-176.9	163.5	179.1	-5	109.7
167	S	33.7	Very low	35.7	Very low	103 Å²	103	138.8 Å²	138.8	72%	0.72	76%	0.76	S	S	*	*				48.5	110.4	83.7	-49.2	0	0	0	0	112.5
168	T	37.1	Very low	35.5	Very low	118 Å²	118	135.3 Å²	135.3	72%	0.724	76%	0.758	S	S	*	*				-171.4	114.9	77.5	-69.2	0	0	0	0	108.1
169	T	33.9	Very low	35.4	Very low	126 Å²	126	134.1 Å²	134.1	77%	0.773	76%	0.755	S	S	*	*				73.5	145.5	99.5	-38.7	0	0	0	0	116
170	I	34.9	Very low	35.2	Very low	148 Å²	148	134.5 Å²	134.5	76%	0.759	76%	0.76	S	S	*	*			trans	118.6	106.3	158.4	-61.5	177.2	0	0	0	117
171	S	31.7	Very low	35.4	Very low	102 Å²	102	133.6 Å²	133.6	71%	0.713	76%	0.76	S	S	*	*			trans	34.9	122.6	149.8	69.9	0	0	0	0	124.5
172	A	33.5	Very low	35.4	Very low	86 Å²	86	140 Å²	140	71%	0.711	76%	0.76	S	S	*	*				43.4	133.7	119.1	0	0	0	0	0	122.3
173	Y	35.5	Very low	35.6	Very low	222 Å²	222	138.1 Å²	138.1	87%	0.871	76%	0.755	S	S	*	*				-163	160.5	105.8	-110.1	-75.8	0	0	0	111.3
174	D	34.6	Very low	35.4	Very low	142 Å²	142	139.9 Å²	139.9	76%	0.759	76%	0.755	S	S	*	*			trans	-66.3	168.1	172.1	-54.2	-84	0	0	0	111.7
175	D	37.7	Very low	35	Very low	112 Å²	112	139.2 Å²	139.2	60%	0.599	76%	0.758	S	S	*	*				175.2	165.2	66.8	-156.9	-10	0	0	0	112.1
176	R	36	Very low	34.9	Very low	201 Å²	201	138.7 Å²	138.7	76%	0.758	76%	0.759	S	S	*	*			trans	64.2	155.7	157.1	-78.5	159.3	-133.4	-165.5	10.8	121.1
177	T	38.6	Very low	34.8	Very low	113 Å²	113	135.1 Å²	135.1	69%	0.693	76%	0.757	S	S	*	*			cis	-167.5	156.4	-29.2	22	0	0	0	0	109.4
178	N	32.7	Very low	35.2	Very low	151 Å²	151	135.9 Å²	135.9	81%	0.807	76%	0.76	S	S	*	*			trans	38	133.6	150	-65.8	-17.7	0	0	0	120.3
179	S	36.4	Very low	34.9	Very low	104 Å²	104	135.6 Å²	135.6	73%	0.727	76%	0.757	S	S	*	*				-177.4	144.6	63.1	38.3	0	0	0	0	115.6
180	S	35.7	Very low	34.9	Very low	109 Å²	109	137.3 Å²	137.3	76%	0.762	76%	0.756	S	S	*	*			trans	63.3	137.3	136.4	-60.4	0	0	0	0	124.4
181	S	37.1	Very low	34.8	Very low	122 Å²	122	137.6 Å²	137.6	85%	0.853	76%	0.759	S	S	*	*			trans	73.6	154.2	154.8	73.2	0	0	0	0	119.8
182	R	31.7	Very low	34.7	Very low	213 Å²	213	137.3 Å²	137.3	80%	0.804	76%	0.757	S	S	*	*			cis	178	149	-35.9	172.8	172.6	178.5	176.6	0.6	106.9
183	L	38.4	Very low	34.7	Very low	143 Å²	143	139 Å²	139	75%	0.749	76%	0.758	S	S	*	*			trans	113.1	121.7	178.3	-65.2	161	0	0	0	109.6
184	Q	30.9	Very low	34.3	Very low	163 Å²	163	136.1 Å²	136.1	76%	0.762	76%	0.758	S	S	*	*				60.9	121.3	59	-62.9	-179.1	-69.2	0	0	112.1
185	A	33.8	Very low	34.3	Very low	90 Å²	90	136.3 Å²	136.3	74%	0.744	76%	0.758	S	S	*	*			cis	-155.7	-170.2	-5.8	0	0	0	0	0	108
186	S	33.7	Very low	33.8	Very low	112 Å²	112	135.9 Å²	135.9	78%	0.783	76%	0.763	S	S	*	*			cis	-161.8	-179.6	10.2	-10.2	0	0	0	0	110.1
187	L	33.7	Very low	33.7	Very low	158 Å²	158	134 Å²	134	83%	0.827	76%	0.763	S	S	*	*			trans	-126.6	151.4	163.8	-76.4	170.8	0	0	0	110.7
188	P	40.8	Very low	33.2	Very low	119 Å²	119	133.7 Å²	133.7	77%	0.773	76%	0.761	S	S	*	*				-128.3	146.9	129.8	36.5	-28.6	0	0	0	111.2
189	V	31.9	Very low	33.2	Very low	111 Å²	111	134.9 Å²	134.9	67%	0.673	76%	0.761	S	S	*	*			cis	89.3	109.9	18.4	-174.5	0	0	0	0	115.4
190	H	33.1	Very low	32.9	Very low	162 Å²	162	137 Å²	137	75%	0.75	77%	0.765	S	S	*	*			trans	60.9	149.6	165.6	-74.2	-57.4	0	0	0	117.6
191	N	33.4	Very low	32.8	Very low	155 Å²	155	140.7 Å²	140.7	83%	0.829	77%	0.77	S	S	*	*			cis	-128.3	152.3	36	-80.2	-36.4	0	0	0	116
192	S	29.4	Very low	32.3	Very low	95 Å²	95	138.1 Å²	138.1	66%	0.664	76%	0.762	S	S	*	*			trans	-97.4	152.1	157.4	-46.9	0	0	0	0	109.5
193	V	33.5	Very low	32.3	Very low	122 Å²	122	133.2 Å²	133.2	74%	0.739	76%	0.76	S	S	*	*			trans	-140.8	99.2	162.3	179.7	0	0	0	0	109.3	I195	V193-I195 HydrophobicContact CG1-CD1 3.95Å; V193-I195 HydrophobicContact CG1-CG1 3.79Å
194	D	26.7	Very low	31.7	Very low	161 Å²	161	136.5 Å²	136.5	86%	0.861	76%	0.763	S	S	*	*			trans	-82.6	130.2	156	-76.2	-63.5	0	0	0	108.6
195	I	34.1	Very low	31.7	Very low	147 Å²	147	139.9 Å²	139.9	75%	0.754	77%	0.77	S	S	*	*			trans	-135.1	108.8	160.9	-63.5	179	0	0	0	109.2	V193	V193-I195 HydrophobicContact CG1-CD1 3.95Å; V193-I195 HydrophobicContact CG1-CG1 3.79Å
196	S	27.3	Very low	31.3	Very low	102 Å²	102	141.1 Å²	141.1	71%	0.713	77%	0.765	S	S	*	*			trans	-98.1	114	164.8	57	0	0	0	0	110.1
197	H	33.7	Very low	31.1	Very low	163 Å²	163	141 Å²	141	76%	0.755	76%	0.759	S	S	*	*			trans	-164.5	114.4	160.4	-89.9	-58	0	0	0	107.1
198	T	28.7	Very low	30.9	Very low	105 Å²	105	142 Å²	142	64%	0.644	76%	0.759	S	S	*	*				67.5	144	76.8	63.2	0	0	0	0	114.9
199	H	34	Very low	30.2	Very low	176 Å²	176	143.7 Å²	143.7	82%	0.815	76%	0.756	S	S	*	*			trans	76.7	118.8	-162.5	-57.9	-94.3	0	0	0	112.3
200	N	28.5	Very low	30.2	Very low	150 Å²	150	146.6 Å²	146.6	80%	0.802	76%	0.762	S	S	*	*			cis	83.8	149.1	33.8	-160.6	28.6	0	0	0	113.3
201	E	33.3	Very low	29.8	Very low	186 Å²	186	149.1 Å²	149.1	87%	0.869	77%	0.765	S	S	*	*			trans	73.9	146.5	-164.3	-56.1	-176.3	-172	0	0	115.2
202	G	27.2	Very low	29.6	Very low	68 Å²	68	147.6 Å²	147.6	70%	0.701	76%	0.761	S	S	*	*			cis	159.3	41	-7.5	0	0	0	0	0	119.4
203	S	31.6	Very low	29.5	Very low	109 Å²	109	149.9 Å²	149.9	76%	0.762	77%	0.765	S	S	*	*			trans	-159.7	131.9	163.5	-84.1	0	0	0	0	110.4
204	R	26.4	Very low	29.3	Very low	212 Å²	212	148.6 Å²	148.6	80%	0.8	76%	0.761	S	S	*	*				53.1	86.7	59.1	-82	-169.9	171.2	174.4	-0.7	113.7
205	Y	31.2	Very low	29.5	Very low	234 Å²	234	147.8 Å²	147.8	92%	0.918	76%	0.757	S	S	*	*			trans	-108.6	103.6	140.5	-90.1	-82.2	0	0	0	109.1
206	N	26	Very low	29.7	Very low	117 Å²	117	148.8 Å²	148.8	63%	0.626	76%	0.759	S	S	*	*			trans	-77.3	152.3	172.6	-100.1	-8.4	0	0	0	110.2
207	V	28.3	Very low	30.8	Very low	108 Å²	108	148 Å²	148	66%	0.655	75%	0.751	S	S	*	*			trans	18	110.5	137.4	-172.8	0	0	0	0	115.6	Q209	V207-Q209 HydrophobicContact CG1-CG 4.42Å
208	H	30.6	Very low	30.9	Very low	179 Å²	179	145.6 Å²	145.6	83%	0.829	74%	0.741	S	S	*	*			trans	-125.2	121.7	143.1	-99.8	51.7	0	0	0	109
209	Q	25.9	Very low	31.4	Very low	155 Å²	155	145 Å²	145	72%	0.724	73%	0.734	S	S	*	*			trans	-77.3	141.7	167.4	-62.4	170.8	-8.5	0	0	107.9	V207	V207-Q209 HydrophobicContact CG1-CG 4.42Å
210	H	30.6	Very low	31.7	Very low	172 Å²	172	141.6 Å²	141.6	80%	0.796	72%	0.719	S	S	*	*			trans	-127.3	113.3	158.2	-107.3	-87.8	0	0	0	109.8
211	R	24.6	Very low	32.1	Very low	216 Å²	216	140.2 Å²	140.2	82%	0.815	71%	0.711	S	S	*	*			trans	-100	119.3	169.7	-80.3	174.9	161.1	179.8	-6.7	108.8
212	T	30.5	Very low	32.3	Very low	122 Å²	122	137.7 Å²	137.7	75%	0.748	70%	0.703	S	S	*	*			trans	-165.4	105.3	158	27.7	0	0	0	0	104.1
213	I	27	Very low	32.9	Very low	144 Å²	144	142.5 Å²	142.5	74%	0.738	71%	0.707	S	S	*	*				73	132.7	55.9	-56.8	175.2	0	0	0	111.3
214	S	29.3	Very low	33.2	Very low	95 Å²	95	141.9 Å²	141.9	66%	0.664	70%	0.701	S	S	*	*			trans	71	137.4	179.2	65	0	0	0	0	119.4
215	D	30.7	Very low	33.7	Very low	143 Å²	143	137.2 Å²	137.2	77%	0.765	70%	0.701	S	S	*	*			cis	-162.1	135.7	-25.1	-91.9	-35.6	0	0	0	110.2
216	E	39.2	Very low	34	Very low	169 Å²	169	135.1 Å²	135.1	79%	0.79	70%	0.699	S	S	*	*			trans	31.7	164.8	131.9	-67.5	-92.4	102.7	0	0	123.9
217	P	49	Very low	34.2	Very low	85 Å²	85	134.9 Å²	134.9	55%	0.552	71%	0.706	S	S	*	*			cis	-142.9	-124.1	-44.1	42.7	-22.8	0	0	0	113.5
218	M	37.4	Very low	34.5	Very low	113 Å²	113	135.9 Å²	135.9	56%	0.557	71%	0.713	S	S	*	*			trans	84.9	151	-177.5	-50.4	-79.4	-69.1	0	0	115.3	Q108	Q108-M218 PolarHBondContact N-SD 3.48Å
219	D	37.5	Very low	34.4	Very low	92 Å²	92	135.7 Å²	135.7	49%	0.492	71%	0.712	S	S	.	*			cis	-169.7	178	-20.3	-107.4	17.1	0	0	0	106.4
220	E	41.3	Very low	34.8	Very low	105 Å²	105	136 Å²	136	49%	0.491	72%	0.718	S	S	.	*				-154.7	-171.1	-89.2	-120.8	-135.9	133.2	0	0	113	R107	R107-E220 IonicContact CZ-OE2 2.78Å; R107-E220 IonicContact NE-OE2 3.28Å; R107-E220 PolarHBondContact NE-OE2 3.21Å; R107-E220 IonicContact NH2-OE2 3.14Å; R107-E220 PolarHBondContact NH2-OE2 3.4Å
221	D	36.1	Very low	34.7	Very low	121 Å²	121	134.5 Å²	134.5	65%	0.647	72%	0.716	S	S	*	*			trans	85.8	104	176.2	-55.5	-20.3	0	0	0	116.5	R107	R107-D221 IonicContact CZ-OD1 3.35Å; R107-D221 IonicContact NH2-OD1 2.72Å; R107-D221 PolarHBondContact NH2-OD1 2.96Å
222	L	39	Very low	35.4	Very low	132 Å²	132	133.4 Å²	133.4	69%	0.691	72%	0.719	S	S	*	*			cis	81.7	142.2	48.3	-65.3	164.2	0	0	0	114.3
223	E	38.2	Very low	35.4	Very low	170 Å²	170	134.2 Å²	134.2	79%	0.794	72%	0.719	S	S	*	*			cis	-141	174.6	30.5	-97.4	-76.7	97.7	0	0	114.1
224	P	38.7	Very low	35.5	Very low	96 Å²	96	134.1 Å²	134.1	62%	0.623	72%	0.72	S	S	*	*			trans	-131.6	-143	-162.2	48.2	-34.3	0	0	0	117.3
225	S	36.8	Very low	35.8	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	73%	0.731	S	S	*	*			trans	88.8	148.2	177	78.4	0	0	0	0	117
226	E	37.6	Very low	35.8	Very low	190 Å²	190	141.3 Å²	141.3	89%	0.888	74%	0.736	S	S	*	*			cis	-144.9	169.4	4.6	-155.7	171.8	-132.3	0	0	111.3
227	S	29.6	Very low	35.5	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	73%	0.733	S	S	*	*			trans	-144.7	154.3	-176	65.8	0	0	0	0	114.7
228	V	35.5	Very low	34.8	Very low	130 Å²	130	143.1 Å²	143.1	79%	0.788	75%	0.745	S	S	*	*			trans	-137.9	124.3	174.5	-179.6	0	0	0	0	110.4	L230	V228-L230 HydrophobicContact CG1-CG 4.41Å
229	Q	28.1	Very low	34.4	Very low	175 Å²	175	143.3 Å²	143.3	82%	0.818	75%	0.753	S	S	*	*			trans	-109	139.8	163.2	-69.6	-177.2	-75.4	0	0	109.4
230	L	34.5	Very low	34	Very low	161 Å²	161	143.8 Å²	143.8	84%	0.843	76%	0.763	S	S	*	*			trans	-143.9	94	165.3	-76.7	178.3	0	0	0	109.6	V228	V228-L230 HydrophobicContact CG1-CG 4.41Å
231	D	27.4	Very low	33.4	Very low	141 Å²	141	146.9 Å²	146.9	75%	0.754	78%	0.78	S	S	*	*			trans	-78.9	129.9	157.8	-72	-44.8	0	0	0	108.6
232	H	39.9	Very low	33.2	Very low	192 Å²	192	145.2 Å²	145.2	89%	0.889	78%	0.777	S	S	*	*			trans	-146	143.5	160.5	-109.2	39.8	0	0	0	110.8
233	N	29.9	Very low	32.8	Very low	139 Å²	139	149.8 Å²	149.8	74%	0.743	79%	0.786	S	S	*	*			trans	-88.6	178.4	-169.1	-66.3	-30.8	0	0	0	113.2
234	D	30.8	Very low	32.5	Very low	142 Å²	142	150.1 Å²	150.1	76%	0.759	79%	0.787	S	S	*	*			trans	63.7	112.6	151.4	-56.9	-40.4	0	0	0	118.5
235	Y	35.2	Very low	32.8	Very low	230 Å²	230	150.2 Å²	150.2	90%	0.902	79%	0.788	S	S	*	*				-154.1	118.7	127.7	-106.6	-71.3	0	0	0	110.2
236	N	29.4	Very low	32.7	Very low	160 Å²	160	152.3 Å²	152.3	86%	0.856	79%	0.785	S	S	*	*			trans	-148.6	68.9	176.9	-157.3	4.4	0	0	0	111.9
237	H	34	Very low	32.5	Very low	159 Å²	159	148.9 Å²	148.9	74%	0.736	78%	0.777	S	S	*	*			trans	-165.9	153.8	172.3	-117.3	-93.1	0	0	0	105.8
238	V	34.4	Very low	32.6	Very low	133 Å²	133	149.8 Å²	149.8	81%	0.806	77%	0.773	S	S	*	*			cis	-137.7	156.3	24.9	-173.7	0	0	0	0	111.2
239	T	28.3	Very low	32.3	Very low	116 Å²	116	148.1 Å²	148.1	71%	0.712	76%	0.764	S	S	*	*			trans	-94	160.3	-177.2	-23.2	0	0	0	0	114.6
240	S	28.7	Very low	32.5	Very low	102 Å²	102	146.9 Å²	146.9	71%	0.713	76%	0.761	S	S	*	*			trans	93	156.8	142.5	81.7	0	0	0	0	122
241	M	29.9	Very low	32.3	Very low	171 Å²	171	145.2 Å²	145.2	84%	0.842	75%	0.753	S	S	*	*			trans	81.1	133.9	168.7	-49.3	-123	111.3	0	0	117
242	S	30.5	Very low	32.4	Very low	85 Å²	85	143.4 Å²	143.4	59%	0.594	75%	0.747	S	S	*	*			cis	-168.7	150.7	-6.8	-97.3	0	0	0	0	113.5
243	R	31.6	Very low	32	Very low	229 Å²	229	140 Å²	140	86%	0.864	73%	0.732	S	S	*	*			trans	70.3	116.2	157.9	-68.2	169.9	176.9	154.1	-1	119.5
244	E	32.1	Very low	32.3	Very low	177 Å²	177	141.8 Å²	141.8	83%	0.827	73%	0.728	S	S	*	*				76	146.6	69.2	-71.3	-93.3	110.9	0	0	115
245	P	43.9	Very low	32.4	Very low	97 Å²	97	140.9 Å²	140.9	63%	0.63	72%	0.721	S	S	*	*			cis	-144.4	-153.8	-42.2	36.7	-14	0	0	0	113.9
246	E	36	Very low	32.4	Very low	159 Å²	159	134.1 Å²	134.1	74%	0.743	70%	0.697	S	S	*	*			trans	97.4	109	154.7	-52.5	-143.4	149.5	0	0	123.6
247	T	32.3	Very low	32.7	Very low	117 Å²	117	132.4 Å²	132.4	72%	0.718	68%	0.684	S	S	*	*			trans	67	157	138.4	69.3	0	0	0	0	120.4
248	N	32.1	Very low	32.9	Very low	130 Å²	130	130.6 Å²	130.6	70%	0.695	68%	0.68	S	S	*	*			cis	-146.8	146.7	-6.8	-126.3	-6.9	0	0	0	113.4
249	T	30	Very low	33	Very low	96 Å²	96	131.3 Å²	131.3	59%	0.589	68%	0.678	S	S	*	*			trans	12.4	127.8	141.4	57.2	0	0	0	0	120.9
250	L	31.3	Very low	33.5	Very low	148 Å²	148	129.2 Å²	129.2	78%	0.775	68%	0.679	S	S	*	*				69.5	151.7	93.3	-61	173.4	0	0	0	114.6
251	L	29.5	Very low	33.8	Very low	126 Å²	126	131.6 Å²	131.6	66%	0.66	68%	0.684	S	S	*	*			cis	-162.6	143.7	1.3	-113.1	161.6	0	0	0	108.9
252	T	31.4	Very low	34.1	Very low	104 Å²	104	128.3 Å²	128.3	64%	0.638	67%	0.673	S	S	*	*			trans	39.1	-175.8	137.8	65.3	0	0	0	0	122.9
253	E	31.6	Very low	34.5	Very low	120 Å²	120	130.1 Å²	130.1	56%	0.561	68%	0.681	S	S	*	*			cis	-166	173	0.3	-131.5	157.9	129.1	0	0	112.7
254	R	34.2	Very low	34.6	Very low	177 Å²	177	127.6 Å²	127.6	67%	0.668	68%	0.679	S	S	*	*			trans	69.6	159.7	146.6	-73.7	159	-159.6	-156.1	11.8	119
255	M	34	Very low	34.8	Very low	123 Å²	123	125.7 Å²	125.7	61%	0.606	67%	0.674	S	S	*	*			cis	-152.9	147.8	-4.8	-119.8	146.3	161.7	0	0	108.2
256	E	35.1	Very low	34.5	Very low	87 Å²	87	127.1 Å²	127.1	41%	0.407	68%	0.676	S	S	.	*				59.6	146.8	92.6	-53.3	176.4	-172.2	0	0	114.1	R933	E256-R933 IonicContact OE1-CZ 2.65Å; E256-R933 VanDerWaalsContact OE1-CZ 3.23Å; E256-R933 IonicContact OE1-NE 2.68Å; E256-R933 PolarHBondContact OE1-NE 2.69Å; E256-R933 IonicContact OE1-NH2 3.55Å; E256-R933 PolarHBondContact OE1-NH2 3.02Å
257	Q	36.5	Very low	34.5	Very low	125 Å²	125	126.5 Å²	126.5	58%	0.584	68%	0.677	S	S	*	*			cis	-170.3	-175.7	15.8	-135	157.2	7.7	0	0	113.6
258	D	36.7	Very low	34.6	Very low	121 Å²	121	128 Å²	128	65%	0.647	68%	0.676	S	S	*	*			trans	78	149.7	147.4	-67.3	-6.2	0	0	0	123.5
259	I	38.1	Very low	34.5	Very low	148 Å²	148	127.1 Å²	127.1	76%	0.759	68%	0.68	S	S	*	*			cis	-162.6	145.1	-13	-112.5	166	0	0	0	113.6
260	G	37.3	Very low	34.7	Very low	71 Å²	71	125.6 Å²	125.6	73%	0.732	68%	0.684	S	S	*	*			trans	65.3	173.1	138.8	0	0	0	0	0	124.5
261	D	34.9	Very low	34.7	Very low	153 Å²	153	126.3 Å²	126.3	82%	0.818	69%	0.687	S	S	*	*			cis	-178	-178.9	-21.5	-178.5	30.4	0	0	0	110.8
262	V	37.7	Very low	35.2	Very low	102 Å²	102	128.3 Å²	128.3	62%	0.618	70%	0.696	S	S	*	*			trans	116.1	91.1	144.4	-176.5	0	0	0	0	121.3
263	T	37.4	Very low	35.2	Very low	123 Å²	123	131.2 Å²	131.2	76%	0.755	71%	0.708	S	S	*	*			trans	66.7	168.9	136.3	65.6	0	0	0	0	124.8
264	E	34.2	Very low	35.4	Very low	176 Å²	176	129 Å²	129	82%	0.822	72%	0.718	S	S	*	*			cis	-173	-151.3	-48.3	-146.3	-179.6	-171.8	0	0	110.2
265	D	37.5	Very low	35.6	Very low	137 Å²	137	127.7 Å²	127.7	73%	0.733	72%	0.724	S	S	*	*			trans	78	139.5	172.7	-87.7	12.4	0	0	0	119.6
266	N	35.9	Very low	35.7	Very low	127 Å²	127	132.9 Å²	132.9	68%	0.679	74%	0.737	S	S	*	*			cis	-154.3	-163.3	-7.4	-147.6	-66	0	0	0	111.6
267	L	35.9	Very low	35.6	Very low	145 Å²	145	131.6 Å²	131.6	76%	0.759	75%	0.747	S	S	*	*			trans	-137.5	-171.2	-148.8	-109.9	165.7	0	0	0	118.8
268	Q	34.8	Very low	35.6	Very low	148 Å²	148	136.8 Å²	136.8	69%	0.692	76%	0.763	S	S	*	*			trans	78.4	163.8	166.8	-80.9	90.2	21.8	0	0	121.4
269	S	31.3	Very low	35.6	Very low	112 Å²	112	135.9 Å²	135.9	78%	0.783	77%	0.772	S	S	*	*			cis	-179.2	163.3	-43.5	63.2	0	0	0	0	113.1
270	G	34.3	Very low	35.5	Very low	65 Å²	65	132.2 Å²	132.2	67%	0.67	77%	0.771	S	S	*	*			trans	120.1	111.2	164.7	0	0	0	0	0	114.7
271	I	31.4	Very low	35.3	Very low	163 Å²	163	136.6 Å²	136.6	84%	0.836	78%	0.777	S	S	*	*				80.2	115.9	54	-60.1	171.5	0	0	0	114.7
272	I	39.1	Very low	35.3	Very low	167 Å²	167	133.4 Å²	133.4	86%	0.856	77%	0.772	S	S	*	*			trans	-168.6	147.4	144.7	-100.4	153.9	0	0	0	109.8
273	N	32	Very low	35.2	Very low	166 Å²	166	133.8 Å²	133.8	89%	0.888	78%	0.779	S	S	*	*			trans	-107.8	153.2	-175.8	-86.5	-45	0	0	0	113.6
274	G	36	Very low	35	Very low	74 Å²	74	137.4 Å²	137.4	76%	0.763	78%	0.779	S	S	*	*			trans	-131.3	-12.8	-160.6	0	0	0	0	0	122.3
275	N	38	Very low	34.9	Very low	148 Å²	148	137.9 Å²	137.9	79%	0.791	77%	0.773	S	S	*	*			trans	72.2	147.6	161.8	-151.5	-0.3	0	0	0	121.3
276	R	35.8	Very low	34.6	Very low	233 Å²	233	139 Å²	139	88%	0.879	78%	0.778	S	S	*	*			trans	67.1	147.1	170.2	-55	179.1	178.4	172.7	-1.5	118.5
277	G	33.1	Very low	34.6	Very low	60 Å²	60	141 Å²	141	62%	0.619	79%	0.787	S	S	*	*			cis	163	153.8	-8.5	0	0	0	0	0	113.6
278	Y	36.8	Very low	34.5	Very low	234 Å²	234	137.3 Å²	137.3	92%	0.918	78%	0.784	S	S	*	*			trans	69.4	125.7	-174.2	-57.4	-86.1	0	0	0	114.9
279	A	35.2	Very low	34.3	Very low	102 Å²	102	142.2 Å²	142.2	84%	0.843	80%	0.797	S	S	*	*			cis	78.4	130.2	19.3	0	0	0	0	0	116
280	G	36.4	Very low	34.5	Very low	71 Å²	71	141 Å²	141	73%	0.732	79%	0.794	S	S	*	*			cis	-177.1	-168.9	-0.3	0	0	0	0	0	114.5
281	D	34.2	Very low	34.4	Very low	163 Å²	163	145.2 Å²	145.2	87%	0.872	80%	0.801	S	S	*	*			trans	43	135.4	167.4	-69.5	-24.9	0	0	0	122.1
282	A	33.9	Very low	34.6	Very low	85 Å²	85	142.5 Å²	142.5	70%	0.702	80%	0.796	S	S	*	*			cis	87.4	100.1	12.2	0	0	0	0	0	119.3
283	S	35.4	Very low	34.2	Very low	111 Å²	111	141.8 Å²	141.8	78%	0.776	79%	0.794	S	S	*	*			trans	-169.3	137.3	147.6	-87.7	0	0	0	0	109.3
284	R	33.5	Very low	34.2	Very low	199 Å²	199	142.4 Å²	142.4	75%	0.751	80%	0.796	S	S	*	*				67.2	137.1	59.3	-66.8	-171.8	174.2	-161.2	3.6	112.6
285	R	31.5	Very low	34.1	Very low	185 Å²	185	142.5 Å²	142.5	70%	0.698	80%	0.797	S	S	*	*			cis	-172.9	151.1	-4.9	-119.3	178.4	-176.3	-174.1	-0.4	110
286	L	31.9	Very low	33.7	Very low	160 Å²	160	139.9 Å²	139.9	84%	0.838	80%	0.796	S	S	*	*			trans	62.8	168.6	162.7	-54.4	157.4	0	0	0	113.1
287	I	36	Very low	33.5	Very low	169 Å²	169	136.3 Å²	136.3	87%	0.867	79%	0.794	S	S	*	*			cis	-139.5	156.5	11	-62.4	167.7	0	0	0	106.1
288	G	33.3	Very low	33.3	Very low	68 Å²	68	139.1 Å²	139.1	70%	0.701	80%	0.799	S	S	*	*			cis	-175.8	-112.5	6.7	0	0	0	0	0	113.1
289	R	31	Very low	33.2	Very low	252 Å²	252	134.9 Å²	134.9	95%	0.951	80%	0.797	S	S	*	*			trans	-136.5	144.5	178.9	-62	159.8	86.5	168.4	6.2	110.8
290	A	35.3	Very low	33.1	Very low	87 Å²	87	136.6 Å²	136.6	72%	0.719	79%	0.792	S	S	*	*				172.9	124.2	116.1	0	0	0	0	0	115.6
291	N	32	Very low	32.9	Very low	152 Å²	152	138.5 Å²	138.5	81%	0.813	80%	0.795	S	S	*	*			trans	59.2	157.2	134.6	-63.7	7	0	0	0	125
292	S	37.3	Very low	33	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	79%	0.793	S	S	*	*			trans	67.3	124.7	169	28.1	0	0	0	0	116.8
293	N	30.2	Very low	33.1	Very low	151 Å²	151	140.2 Å²	140.2	81%	0.807	80%	0.796	S	S	*	*			cis	89.9	141.6	42.6	-76	0.4	0	0	0	113.5
294	L	32.4	Very low	33.1	Very low	179 Å²	179	140.1 Å²	140.1	94%	0.937	80%	0.796	S	S	*	*			trans	67.4	149.7	-166.8	-68	68.4	0	0	0	112.7
295	G	32.1	Very low	33.2	Very low	76 Å²	76	135 Å²	135	78%	0.784	80%	0.796	S	S	*	*			cis	-165.2	163.4	-3.6	0	0	0	0	0	110.7
296	A	29.7	Very low	33.3	Very low	93 Å²	93	133.6 Å²	133.6	77%	0.769	80%	0.801	S	S	*	*			trans	-94.9	175	-174.9	0	0	0	0	0	113.5
297	L	31.7	Very low	33.4	Very low	159 Å²	159	132.5 Å²	132.5	83%	0.832	80%	0.796	S	S	*	*			trans	76.6	119.8	170.5	-56.9	150.4	0	0	0	114
298	T	29.8	Very low	33.5	Very low	118 Å²	118	131.6 Å²	131.6	72%	0.724	80%	0.799	S	S	*	*				79.3	98.7	54.4	-58.1	0	0	0	0	113.4
299	V	35.5	Very low	33.8	Very low	145 Å²	145	134.2 Å²	134.2	88%	0.879	81%	0.807	S	S	*	*			trans	-146.8	145.3	145.2	-169.3	0	0	0	0	108.9
300	N	32.1	Very low	34	Very low	138 Å²	138	127 Å²	127	74%	0.738	79%	0.794	S	S	*	*			trans	-91.4	153.5	-179	-77.7	-39.6	0	0	0	114.4
301	S	32	Very low	34	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	80%	0.799	S	S	*	*			trans	30.8	107.6	137.1	-52.2	0	0	0	0	120.7
302	T	37.1	Very low	34.3	Very low	137 Å²	137	127.9 Å²	127.9	84%	0.84	80%	0.797	S	S	*	*			trans	-157.3	157.5	141.2	32.2	0	0	0	0	108
303	L	36.2	Very low	34.2	Very low	146 Å²	146	129.9 Å²	129.9	76%	0.764	81%	0.805	S	S	*	*			cis	177	145.8	-32.4	-141.9	166.3	0	0	0	103.5
304	S	35.4	Very low	35	Very low	110 Å²	110	127.2 Å²	127.2	77%	0.769	80%	0.803	S	S	*	*			trans	60	127	165.4	53.8	0	0	0	0	120
305	A	34.2	Very low	35.5	Very low	90 Å²	90	124.8 Å²	124.8	74%	0.744	80%	0.799	S	S	*	*			trans	-92.5	160	160.7	0	0	0	0	0	110.7
306	L	33.8	Very low	36	Very low	156 Å²	156	124.8 Å²	124.8	82%	0.817	80%	0.799	S	S	*	*				173.8	160.4	120.9	-94.7	166.2	0	0	0	114
307	N	35	Very low	36.6	Very low	138 Å²	138	127.5 Å²	127.5	74%	0.738	80%	0.799	S	S	*	*			trans	65.9	111.4	157.5	-63	-17.2	0	0	0	120.4
308	T	36.6	Very low	37	Very low	149 Å²	149	127.3 Å²	127.3	91%	0.914	80%	0.799	S	S	*	*				-141.7	132	128.8	-15.9	0	0	0	0	108.8
309	S	41.1	Very low	37.5	Very low	124 Å²	124	126.4 Å²	126.4	87%	0.867	80%	0.803	S	S	*	*			trans	-91.5	171.6	-177.8	47.7	0	0	0	0	111.8
310	S	34.6	Very low	37.6	Very low	99 Å²	99	123.6 Å²	123.6	69%	0.692	80%	0.803	S	S	*	*			trans	-134.3	149.3	-165.4	66.8	0	0	0	0	114.2
311	T	34.8	Very low	38	Very low	132 Å²	132	122 Å²	122	81%	0.81	81%	0.809	S	S	*	*			trans	65.8	158.7	165.7	67.9	0	0	0	0	116.2
312	T	39.5	Very low	38.4	Very low	127 Å²	127	121.8 Å²	121.8	78%	0.779	81%	0.814	S	S	*	*			cis	-140.8	156.2	10.5	46.3	0	0	0	0	112
313	T	35.5	Very low	38.4	Very low	149 Å²	149	119.4 Å²	119.4	91%	0.914	82%	0.817	S	S	*	*			trans	-140.4	153.8	161.5	49.9	0	0	0	0	112.2
314	A	45.3	Very low	38.5	Very low	94 Å²	94	116.4 Å²	116.4	78%	0.777	82%	0.821	S	S	*	*			trans	-169	161.2	174.2	0	0	0	0	0	110.1
315	P	44.2	Very low	38.8	Very low	129 Å²	129	117.4 Å²	117.4	84%	0.838	83%	0.828	S	S	*	*			cis	-133.3	168.3	-34.7	37.4	-21.9	0	0	0	114
316	G	42.3	Very low	39	Very low	76 Å²	76	116.4 Å²	116.4	78%	0.784	83%	0.827	S	S	*	*			trans	95.2	150.2	175.3	0	0	0	0	0	113.8
317	I	41.8	Very low	39.9	Very low	150 Å²	150	115.7 Å²	115.7	77%	0.769	83%	0.829	S	S	*	*			cis	-137.7	137.6	8.8	-66.5	169.6	0	0	0	109.7
318	N	40.9	Very low	41	Very low	155 Å²	155	117.5 Å²	117.5	83%	0.829	84%	0.838	S	S	*	*			trans	59	159.9	167.7	-66.1	-8.3	0	0	0	118.6
319	A	38.9	Very low	42.2	Very low	99 Å²	99	122.4 Å²	122.4	82%	0.818	84%	0.84	S	S	*	*			cis	-164.8	122.7	-37.3	0	0	0	0	0	107.7
320	G	39.2	Very low	43.7	Very low	86 Å²	86	121.5 Å²	121.5	89%	0.887	82%	0.82	S	S	*	*			trans	-177.6	143.1	-178.9	0	0	0	0	0	110.6
321	A	39.5	Very low	45.9	Very low	104 Å²	104	120 Å²	120	86%	0.86	81%	0.809	S	S	*	*			trans	-118.5	161.3	-158.3	0	0	0	0	0	115.6
322	A	40.7	Very low	48.2	Very low	107 Å²	107	119.7 Å²	119.7	88%	0.884	80%	0.803	S	S	*	*			trans	78.2	121.2	161.5	0	0	0	0	0	119.9
323	G	37.7	Very low	50.2	Low	88 Å²	88	117.7 Å²	117.7	91%	0.907	79%	0.793	S	S	*	*			trans	113.8	119.4	152.8	0	0	0	0	0	116.7
324	G	37.8	Very low	52.5	Low	82 Å²	82	113.6 Å²	113.6	85%	0.845	77%	0.768	S	S	*	*			trans	150.5	98.3	168	0	0	0	0	0	114.8
325	S	42	Very low	54.4	Low	131 Å²	131	113.5 Å²	113.5	92%	0.916	75%	0.75	S	S	*	*			trans	-72.7	150.8	179.5	-166.6	0	0	0	0	113.1
326	G	37.4	Very low	56.2	Low	70 Å²	70	110.8 Å²	110.8	72%	0.722	73%	0.726	S	S	*	*			trans	-86.1	152.7	-170.3	0	0	0	0	0	115.8
327	T	53.3	Low	58.2	Low	140 Å²	140	112.2 Å²	112.2	86%	0.859	72%	0.715	S	S	*	*			trans	-105.3	114.4	176.8	45.5	0	0	0	0	112.1	R329	T327-R329 PolarHBondContact O-N 3.4Å
328	L	57	Low	60.4	Low	177 Å²	177	109.3 Å²	109.3	93%	0.927	70%	0.698	S	S	*	*			trans	-68	125.3	177.1	-79.5	155.7	0	0	0	111.2	K330	L328-K330 PolarHBondContact O-N 3.35Å; L328-K330 VanDerWaalsContact O-N 3.1Å
329	R	62.4	Low	62.6	Low	251 Å²	251	108 Å²	108	95%	0.947	68%	0.681	S	S	*	*			trans	-67.9	106.6	177.3	-74.5	-177.9	172.1	-177.8	-2.4	110.8	T327 S331	T327-R329 PolarHBondContact O-N 3.4Å; R329-S331 PolarHBondContact O-N 3.27Å
330	K	72.7	Confident	64.8	Low	105 Å²	105	106.8 Å²	106.8	46%	0.457	66%	0.66	S	S	.	*			trans	-50.8	132.5	172.6	-70	174.9	170.4	173.7	0	111.7	L328 V334 K335 E338	L328-K330 PolarHBondContact O-N 3.35Å; L328-K330 VanDerWaalsContact O-N 3.1Å; K330-V334 HydrophobicContact CB-CB 4.25Å; K330-V334 HydrophobicContact CB-CG1 4.01Å; K330-V334 HydrophobicContact CD-CG1 3.97Å; K330-V334 HydrophobicContact CG-CG1 3.89Å; K330-K335 HydrophobicContact CB-CG 4.4Å; K330-K335 WeakPolarHBondContact O-CE 3.31Å; K330-E338 VanDerWaalsContact CD-OE2 3.31Å; K330-E338 WeakPolarHBondContact CD-OE2 3.3Å; K330-E338 IonicContact NZ-OE1 3.51Å; K330-E338 PolarHBondContact NZ-OE1 2.84Å; K330-E338 IonicContact NZ-OE2 2.62Å; K330-E338 PolarHBondContact NZ-OE2 3.27Å
331	S	80.7	Confident	67.1	Low	67 Å²	67	106.3 Å²	106.3	47%	0.469	64%	0.635	S	S	.	*			trans	-69.2	162.9	175.4	74.7	0	0	0	0	111.8	R329 C333 V334 K335	R329-S331 PolarHBondContact O-N 3.27Å; S331-C333 PolarHBondContact O-N 3.02Å; S331-V334 PolarHBondContact O-N 3.13Å; S331-V334 VanDerWaalsContact O-N 3.13Å; S331-V334 PolarHBondContact OG-N 3.31Å; S331-K335 WeakPolarHBondContact O-CG 3.46Å; S331-K335 PolarHBondContact O-N 3.09Å
332	N	82.8	Confident	69.5	Low	126 Å²	126	106.2 Å²	106.2	67%	0.674	62%	0.617	S	S	*	*	H	α-helix	trans	-63.5	-28.9	179.5	-74.5	-11.4	0	0	0	113.2	K335 E336	N332-K335 PolarHBondContact O-N 2.92Å; N332-K335 PolarHBondContact OD1-NZ 3.39Å; N332-E336 PolarHBondContact O-N 2.98Å; N332-E336 VanDerWaalsContact O-N 3.08Å
333	C	82.9	Confident	71.8	Confident	85 Å²	85	108.4 Å²	108.4	57%	0.574	60%	0.602	S	S	*	*	H	α-helix	trans	-63	-48.3	171.2	179.1	0	0	0	0	111.3	S331 K335 E336 I337	S331-C333 PolarHBondContact O-N 3.02Å; C333-K335 VanDerWaalsContact C-N 3.29Å; C333-K335 PolarHBondContact O-N 3.24Å; C333-E336 PolarHBondContact O-N 3.43Å; C333-E336 VanDerWaalsContact O-N 3.14Å; C333-I337 WeakPolarHBondContact O-CG1 3.25Å; C333-I337 PolarHBondContact O-N 3.26Å
334	V	83.9	Confident	74.1	Confident	63 Å²	63	111 Å²	111	38%	0.382	58%	0.584	S	S	.	*	H	α-helix	trans	-60.5	-39.4	176.7	176.3	0	0	0	0	111.3	K330 S331 E336 I337 E338	K330-V334 HydrophobicContact CB-CB 4.25Å; K330-V334 HydrophobicContact CB-CG1 4.01Å; K330-V334 HydrophobicContact CD-CG1 3.97Å; K330-V334 HydrophobicContact CG-CG1 3.89Å; S331-V334 PolarHBondContact O-N 3.13Å; S331-V334 VanDerWaalsContact O-N 3.13Å; S331-V334 PolarHBondContact OG-N 3.31Å; V334-E336 PolarHBondContact O-N 2.9Å; V334-I337 PolarHBondContact O-N 2.96Å; V334-E338 VanDerWaalsContact O-CB 3.3Å; V334-E338 WeakPolarHBondContact O-CB 3.43Å; V334-E338 PolarHBondContact O-N 3.03Å
335	K	83.8	Confident	76.4	Confident	93 Å²	93	111.5 Å²	111.5	40%	0.404	57%	0.565	S	S	.	*	H	α-helix	trans	-64.8	-35	175.9	-66.8	175.4	-170.8	166.4	0	113.5	K330 S331 N332 C333 E338 R339	K330-K335 HydrophobicContact CB-CG 4.4Å; K330-K335 WeakPolarHBondContact O-CE 3.31Å; S331-K335 WeakPolarHBondContact O-CG 3.46Å; S331-K335 PolarHBondContact O-N 3.09Å; N332-K335 PolarHBondContact O-N 2.92Å; N332-K335 PolarHBondContact OD1-NZ 3.39Å; C333-K335 VanDerWaalsContact C-N 3.29Å; C333-K335 PolarHBondContact O-N 3.24Å; K335-E338 PolarHBondContact O-N 3.26Å; K335-R339 WeakPolarHBondContact O-CG 3.38Å; K335-R339 PolarHBondContact O-N 2.97Å
336	E	82.4	Confident	78.6	Confident	72 Å²	72	110 Å²	110	34%	0.336	54%	0.543	S	S	.	.	H	α-helix	trans	-75.2	-37.9	177.4	-165.5	59.2	-148.8	0	0	111.5	N332 C333 V334 E338 R339 I340	N332-E336 PolarHBondContact O-N 2.98Å; N332-E336 VanDerWaalsContact O-N 3.08Å; C333-E336 PolarHBondContact O-N 3.43Å; C333-E336 VanDerWaalsContact O-N 3.14Å; V334-E336 PolarHBondContact O-N 2.9Å; E336-E338 VanDerWaalsContact C-N 3.27Å; E336-E338 PolarHBondContact O-N 2.98Å; E336-R339 PolarHBondContact O-N 2.97Å; E336-R339 VanDerWaalsContact OE2-CD 3.31Å; E336-R339 WeakPolarHBondContact OE2-CD 3.36Å; E336-R339 IonicContact OE2-CZ 2.69Å; E336-R339 IonicContact OE2-NE 2.8Å; E336-R339 IonicContact OE2-NH1 3.92Å; E336-R339 PolarHBondContact OE2-NH1 3.24Å; E336-I340 HydrophobicContact CG-CD1 4.35Å; E336-I340 VanDerWaalsContact O-CG1 3.3Å; E336-I340 WeakPolarHBondContact O-CG1 3.42Å; E336-I340 PolarHBondContact O-N 3.45Å
337	I	85	Confident	80.8	Confident	106 Å²	106	114.6 Å²	114.6	54%	0.544	54%	0.539	S	S	.	.	H	α-helix	trans	-58.3	-42.8	169.8	-65.5	166.2	0	0	0	110.3	C333 V334 I340 Q341	C333-I337 WeakPolarHBondContact O-CG1 3.25Å; C333-I337 PolarHBondContact O-N 3.26Å; V334-I337 PolarHBondContact O-N 2.96Å; I337-I340 PolarHBondContact O-N 3.49Å; I337-Q341 PolarHBondContact O-N 2.98Å
338	E	86.5	Confident	82.1	Confident	88 Å²	88	114.4 Å²	114.4	41%	0.411	52%	0.522	S	S	.	.	H	α-helix	trans	-63.8	-41.1	176.8	-172.9	159.4	-148	0	0	112.4	K330 V334 K335 E336 Q341 Q342	K330-E338 VanDerWaalsContact CD-OE2 3.31Å; K330-E338 WeakPolarHBondContact CD-OE2 3.3Å; K330-E338 IonicContact NZ-OE1 3.51Å; K330-E338 PolarHBondContact NZ-OE1 2.84Å; K330-E338 IonicContact NZ-OE2 2.62Å; K330-E338 PolarHBondContact NZ-OE2 3.27Å; V334-E338 VanDerWaalsContact O-CB 3.3Å; V334-E338 WeakPolarHBondContact O-CB 3.43Å; V334-E338 PolarHBondContact O-N 3.03Å; K335-E338 PolarHBondContact O-N 3.26Å; E336-E338 VanDerWaalsContact C-N 3.27Å; E336-E338 PolarHBondContact O-N 2.98Å; E338-Q341 PolarHBondContact O-N 3.45Å; E338-Q342 WeakPolarHBondContact O-CB 3.42Å; E338-Q342 PolarHBondContact O-N 3Å
339	R	88.3	Confident	83.3	Confident	129 Å²	129	108.9 Å²	108.9	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-63.5	-39.6	170.6	-73.7	172.2	-176.8	149.5	-2.4	113.3	K335 E336 Q341 Q342 R343	K335-R339 WeakPolarHBondContact O-CG 3.38Å; K335-R339 PolarHBondContact O-N 2.97Å; E336-R339 PolarHBondContact O-N 2.97Å; E336-R339 VanDerWaalsContact OE2-CD 3.31Å; E336-R339 WeakPolarHBondContact OE2-CD 3.36Å; E336-R339 IonicContact OE2-CZ 2.69Å; E336-R339 IonicContact OE2-NE 2.8Å; E336-R339 IonicContact OE2-NH1 3.92Å; E336-R339 PolarHBondContact OE2-NH1 3.24Å; R339-Q341 VanDerWaalsContact C-N 3.31Å; R339-Q342 PolarHBondContact O-N 3Å; R339-R343 WeakPolarHBondContact O-CB 3.4Å; R339-R343 WeakPolarHBondContact O-CG 3.36Å; R339-R343 PolarHBondContact O-N 3.24Å
340	I	84.9	Confident	84.3	Confident	72 Å²	72	99.6 Å²	99.6	37%	0.369	48%	0.479	S	S	.	.	H	α-helix	trans	-65.4	-39.5	177.3	-70	164.6	0	0	0	109.9	E336 I337 R344	E336-I340 HydrophobicContact CG-CD1 4.35Å; E336-I340 VanDerWaalsContact O-CG1 3.3Å; E336-I340 WeakPolarHBondContact O-CG1 3.42Å; E336-I340 PolarHBondContact O-N 3.45Å; I337-I340 PolarHBondContact O-N 3.49Å; I340-R344 WeakPolarHBondContact O-CD 3.44Å; I340-R344 WeakPolarHBondContact O-CG 3.44Å; I340-R344 PolarHBondContact O-N 3.46Å; I340-R344 VanDerWaalsContact O-N 3.14Å
341	Q	87.5	Confident	84.4	Confident	77 Å²	77	100.3 Å²	100.3	36%	0.36	48%	0.484	S	S	.	.	H	α-helix	trans	-66.2	-46.8	173.6	-175.4	62.3	14.2	0	0	111.8	I337 E338 R339 R343 R344 E345	I337-Q341 PolarHBondContact O-N 2.98Å; E338-Q341 PolarHBondContact O-N 3.45Å; R339-Q341 VanDerWaalsContact C-N 3.31Å; Q341-R343 PolarHBondContact O-N 3.29Å; Q341-R344 CarbonylContact O-C 3.51Å; Q341-R344 WeakPolarHBondContact O-CA 3.49Å; Q341-R344 WeakPolarHBondContact O-CB 3.44Å; Q341-R344 PolarHBondContact O-N 3.38Å; Q341-E345 PolarHBondContact NE2-OE1 2.65Å; Q341-E345 PolarHBondContact O-N 3.07Å
342	Q	89.5	Confident	84.1	Confident	102 Å²	102	103.2 Å²	103.2	48%	0.477	49%	0.488	S	S	.	.	H	α-helix	trans	-56.5	-49	176.6	-176.2	-177.3	-16.7	0	0	111.4	E338 R339 R344 E345 E346	E338-Q342 WeakPolarHBondContact O-CB 3.42Å; E338-Q342 PolarHBondContact O-N 3Å; R339-Q342 PolarHBondContact O-N 3Å; Q342-R344 VanDerWaalsContact C-N 3.25Å; Q342-R344 PolarHBondContact O-N 3.39Å; Q342-E345 CarbonylContact O-C 3.57Å; Q342-E345 WeakPolarHBondContact O-CA 3.02Å; Q342-E345 WeakPolarHBondContact O-CB 3.46Å; Q342-E345 PolarHBondContact O-N 3.19Å; Q342-E346 HydrophobicContact CG-CG 4.32Å; Q342-E346 WeakPolarHBondContact CG-OE1 3.4Å; Q342-E346 PolarHBondContact NE2-OE1 3.2Å; Q342-E346 WeakPolarHBondContact O-CG 3.39Å; Q342-E346 PolarHBondContact O-N 3.13Å
343	R	89.1	Confident	83.7	Confident	152 Å²	152	99.3 Å²	99.3	57%	0.574	47%	0.474	S	S	*	.	H	α-helix	trans	-60.1	-32.9	175.2	-73	175.3	179.9	151.3	-0	113	R339 Q341 E345 R347	R339-R343 WeakPolarHBondContact O-CB 3.4Å; R339-R343 WeakPolarHBondContact O-CG 3.36Å; R339-R343 PolarHBondContact O-N 3.24Å; Q341-R343 PolarHBondContact O-N 3.29Å; R343-E345 VanDerWaalsContact C-N 3.32Å; R343-R347 VanDerWaalsContact O-CB 3.26Å; R343-R347 WeakPolarHBondContact O-CB 3.39Å; R343-R347 PolarHBondContact O-N 3.19Å
344	R	85.3	Confident	83.1	Confident	142 Å²	142	99.8 Å²	99.8	54%	0.536	47%	0.474	S	S	.	.	H	α-helix	trans	-73.8	-22.2	173.8	-72.2	167	174.7	-166.1	-1.6	112.7	I340 Q341 Q342 R348	I340-R344 WeakPolarHBondContact O-CD 3.44Å; I340-R344 WeakPolarHBondContact O-CG 3.44Å; I340-R344 PolarHBondContact O-N 3.46Å; I340-R344 VanDerWaalsContact O-N 3.14Å; Q341-R344 CarbonylContact O-C 3.51Å; Q341-R344 WeakPolarHBondContact O-CA 3.49Å; Q341-R344 WeakPolarHBondContact O-CB 3.44Å; Q341-R344 PolarHBondContact O-N 3.38Å; Q342-R344 VanDerWaalsContact C-N 3.25Å; Q342-R344 PolarHBondContact O-N 3.39Å; R344-R348 WeakPolarHBondContact O-CG 3.28Å; R344-R348 PolarHBondContact O-N 2.95Å; R344-R348 PolarHBondContact O-NE 2.78Å
345	E	87.2	Confident	82.2	Confident	94 Å²	94	101.3 Å²	101.3	44%	0.439	47%	0.473	S	S	.	.	H	α-helix	trans	-84.8	-48.4	175.1	-75.4	170.1	-178.3	0	0	110.7	Q341 Q342 R343 R347 R348 A349	Q341-E345 PolarHBondContact NE2-OE1 2.65Å; Q341-E345 PolarHBondContact O-N 3.07Å; Q342-E345 CarbonylContact O-C 3.57Å; Q342-E345 WeakPolarHBondContact O-CA 3.02Å; Q342-E345 WeakPolarHBondContact O-CB 3.46Å; Q342-E345 PolarHBondContact O-N 3.19Å; R343-E345 VanDerWaalsContact C-N 3.32Å; E345-R347 VanDerWaalsContact C-N 3.31Å; E345-R347 PolarHBondContact O-N 2.68Å; E345-R348 CarbonylContact O-C 3.59Å; E345-R348 PolarHBondContact O-N 3.11Å; E345-R348 IonicContact OE1-NH2 3.68Å; E345-A349 WeakPolarHBondContact O-CB 3.43Å; E345-A349 PolarHBondContact O-N 2.86Å
346	E	87.8	Confident	81.3	Confident	99 Å²	99	101 Å²	101	46%	0.463	48%	0.475	S	S	.	.	H	α-helix	trans	-53.6	-45.4	171.2	-69.5	166.2	169.8	0	0	111.5	Q342 R348 A349 A350	Q342-E346 HydrophobicContact CG-CG 4.32Å; Q342-E346 WeakPolarHBondContact CG-OE1 3.4Å; Q342-E346 PolarHBondContact NE2-OE1 3.2Å; Q342-E346 WeakPolarHBondContact O-CG 3.39Å; Q342-E346 PolarHBondContact O-N 3.13Å; E346-R348 PolarHBondContact O-N 2.95Å; E346-A349 PolarHBondContact O-N 3.05Å; E346-A350 WeakPolarHBondContact O-CB 3.24Å; E346-A350 PolarHBondContact O-N 2.65Å
347	R	84.8	Confident	80.2	Confident	167 Å²	167	104.4 Å²	104.4	63%	0.63	49%	0.491	S	S	*	.	H	α-helix	trans	-64.4	-38.1	176.2	-167.6	-180	74.9	-179.8	4.4	112.9	R343 E345 Q351	R343-R347 VanDerWaalsContact O-CB 3.26Å; R343-R347 WeakPolarHBondContact O-CB 3.39Å; R343-R347 PolarHBondContact O-N 3.19Å; E345-R347 VanDerWaalsContact C-N 3.31Å; E345-R347 PolarHBondContact O-N 2.68Å; R347-Q351 WeakPolarHBondContact O-CB 3.31Å; R347-Q351 VanDerWaalsContact O-CG 3.27Å; R347-Q351 WeakPolarHBondContact O-CG 3.38Å; R347-Q351 PolarHBondContact O-N 2.97Å
348	R	80.5	Confident	79.1	Confident	135 Å²	135	101.6 Å²	101.6	51%	0.509	48%	0.477	S	S	.	.	H	α-helix	trans	-69.4	-40.6	175.7	-81.8	-179.5	-73.8	157.5	-6.9	111.4	R344 E345 E346 Q351 K352	R344-R348 WeakPolarHBondContact O-CG 3.28Å; R344-R348 PolarHBondContact O-N 2.95Å; R344-R348 PolarHBondContact O-NE 2.78Å; E345-R348 CarbonylContact O-C 3.59Å; E345-R348 PolarHBondContact O-N 3.11Å; E345-R348 IonicContact OE1-NH2 3.68Å; E346-R348 PolarHBondContact O-N 2.95Å; R348-Q351 PolarHBondContact O-N 3.49Å; R348-K352 PolarHBondContact O-N 3.12Å
349	A	81.7	Confident	77.9	Confident	61 Å²	61	105.6 Å²	105.6	50%	0.504	50%	0.501	S	S	.	.	H	α-helix	trans	-63.9	-43	175.7	0	0	0	0	0	111.4	E345 E346 K352 A353	E345-A349 WeakPolarHBondContact O-CB 3.43Å; E345-A349 PolarHBondContact O-N 2.86Å; E346-A349 PolarHBondContact O-N 3.05Å; A349-K352 PolarHBondContact O-N 3.39Å; A349-A353 WeakPolarHBondContact O-CB 3.37Å; A349-A353 PolarHBondContact O-N 2.76Å
350	A	82.2	Confident	76.7	Confident	56 Å²	56	101.1 Å²	101.1	46%	0.463	49%	0.487	S	S	.	.	H	α-helix	trans	-63.6	-44.7	174.4	0	0	0	0	0	112.3	E346 K352 A353 V354	E346-A350 WeakPolarHBondContact O-CB 3.24Å; E346-A350 PolarHBondContact O-N 2.65Å; A350-K352 VanDerWaalsContact C-N 3.3Å; A350-K352 PolarHBondContact O-N 2.68Å; A350-A353 PolarHBondContact O-N 3.31Å; A350-V354 WeakPolarHBondContact O-CG2 3.48Å; A350-V354 PolarHBondContact O-N 3.26Å
351	Q	75.2	Confident	75.8	Confident	121 Å²	121	100.7 Å²	100.7	57%	0.565	49%	0.485	S	S	*	.	H	α-helix	trans	-60.8	-38.1	174.5	-75.8	175.2	-39.4	0	0	112.2	R347 R348 R355	R347-Q351 WeakPolarHBondContact O-CB 3.31Å; R347-Q351 VanDerWaalsContact O-CG 3.27Å; R347-Q351 WeakPolarHBondContact O-CG 3.38Å; R347-Q351 PolarHBondContact O-N 2.97Å; R348-Q351 PolarHBondContact O-N 3.49Å; Q351-R355 PolarHBondContact O-N 3.34Å
352	K	75	Confident	74.9	Confident	127 Å²	127	101.8 Å²	101.8	55%	0.552	50%	0.499	S	S	*	.	H	α-helix	trans	-67.9	-45.7	173	-162.5	-171.3	179.6	-90.7	0	111.8	R348 A349 A350 V354 R355 D356	R348-K352 PolarHBondContact O-N 3.12Å; A349-K352 PolarHBondContact O-N 3.39Å; A350-K352 VanDerWaalsContact C-N 3.3Å; A350-K352 PolarHBondContact O-N 2.68Å; K352-V354 VanDerWaalsContact C-N 3.27Å; K352-V354 PolarHBondContact O-N 3.16Å; K352-R355 CarbonylContact O-C 3.57Å; K352-R355 WeakPolarHBondContact O-CA 3.4Å; K352-R355 WeakPolarHBondContact O-CB 3.4Å; K352-R355 PolarHBondContact O-N 2.88Å; K352-D356 IonicContact NZ-OD1 2.63Å; K352-D356 IonicContact NZ-OD2 3.71Å; K352-D356 PolarHBondContact NZ-OD2 3.26Å; K352-D356 WeakPolarHBondContact O-CB 3.4Å; K352-D356 PolarHBondContact O-N 3.36Å
353	A	74.1	Confident	74.1	Confident	45 Å²	45	101.6 Å²	101.6	37%	0.372	51%	0.505	S	S	.	.	H	α-helix	trans	-62.6	-31.5	179.9	0	0	0	0	0	113.2	A349 A350 Q357	A349-A353 WeakPolarHBondContact O-CB 3.37Å; A349-A353 PolarHBondContact O-N 2.76Å; A350-A353 PolarHBondContact O-N 3.31Å; A353-Q357 WeakPolarHBondContact O-CB 3.29Å; A353-Q357 VanDerWaalsContact O-CG 3.29Å; A353-Q357 WeakPolarHBondContact O-CG 3.22Å; A353-Q357 PolarHBondContact O-N 3.15Å; A353-Q357 VanDerWaalsContact O-N 3.16Å
354	V	70.4	Confident	73.5	Confident	94 Å²	94	95.4 Å²	95.4	57%	0.57	48%	0.483	S	S	*	.	H	α-helix	trans	-71.7	-34.9	171.5	171.7	0	0	0	0	111.7	A350 K352	A350-V354 WeakPolarHBondContact O-CG2 3.48Å; A350-V354 PolarHBondContact O-N 3.26Å; K352-V354 VanDerWaalsContact C-N 3.27Å; K352-V354 PolarHBondContact O-N 3.16Å
355	R	66.1	Low	73.1	Confident	95 Å²	95	94.3 Å²	94.3	36%	0.358	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-42.7	172.4	-172.5	178.9	-174.8	76.1	2.9	111.6	Q351 K352 Q357 M371 E375	Q351-R355 PolarHBondContact O-N 3.34Å; K352-R355 CarbonylContact O-C 3.57Å; K352-R355 WeakPolarHBondContact O-CA 3.4Å; K352-R355 WeakPolarHBondContact O-CB 3.4Å; K352-R355 PolarHBondContact O-N 2.88Å; R355-Q357 PolarHBondContact O-N 2.85Å; R355-M371 HydrophobicContact CG-CE 3.55Å; R355-M371 HydrophobicContact CG-SD 3.94Å; R355-M371 PolarHBondContact NH2-SD 3.02Å; R355-M371 WeakPolarHBondContact O-CE 3.42Å; R355-E375 IonicContact CZ-OE1 3.34Å; R355-E375 IonicContact NH1-OE1 3.63Å; R355-E375 PolarHBondContact NH1-OE1 3.49Å; R355-E375 IonicContact NH2-OE1 3.83Å
356	D	64.1	Low	72.9	Confident	86 Å²	86	90.9 Å²	90.9	46%	0.46	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-8.2	-179.1	-61.1	-11.6	0	0	0	112.9	K352	K352-D356 IonicContact NZ-OD1 2.63Å; K352-D356 IonicContact NZ-OD2 3.71Å; K352-D356 PolarHBondContact NZ-OD2 3.26Å; K352-D356 WeakPolarHBondContact O-CB 3.4Å; K352-D356 PolarHBondContact O-N 3.36Å
357	Q	59.3	Low	72.7	Confident	145 Å²	145	88 Å²	88	68%	0.678	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-5	176.3	-94.3	172.9	41.3	0	0	114.6	A353 R355	A353-Q357 WeakPolarHBondContact O-CB 3.29Å; A353-Q357 VanDerWaalsContact O-CG 3.29Å; A353-Q357 WeakPolarHBondContact O-CG 3.22Å; A353-Q357 PolarHBondContact O-N 3.15Å; A353-Q357 VanDerWaalsContact O-N 3.16Å; R355-Q357 PolarHBondContact O-N 2.85Å
358	I	61.2	Low	72.8	Confident	47 Å²	47	84.6 Å²	84.6	24%	0.241	46%	0.457	C	S	.	.	S	Bend	trans	-79.7	124.5	-179.9	-72.4	166	0	0	0	108.8	L360 M371	I358-L360 HydrophobicContact CG2-CB 4.16Å; I358-L360 HydrophobicContact CG2-CD1 3.67Å; I358-L360 HydrophobicContact CG2-CG 3.62Å; I358-L360 PolarHBondContact O-N 2.77Å; I358-M371 HydrophobicContact CB-CE 4.23Å; I358-M371 HydrophobicContact CD1-CE 3.57Å; I358-M371 HydrophobicContact CG1-CE 4.47Å; I358-M371 HydrophobicContact CG2-CE 4.4Å
359	D	60.8	Low	73.3	Confident	171 Å²	171	79.2 Å²	79.2	91%	0.914	44%	0.438	S	S	*	.			trans	-67.2	46.7	-176.6	-76.2	-43	0	0	0	114.6
360	L	63.8	Low	73.7	Confident	36 Å²	36	79 Å²	79	19%	0.188	43%	0.426	C	S	.	.	S	Bend	trans	-113.3	130.6	177.5	-64.6	-179.7	0	0	0	109.3	I358 P362 Y367 H370 H374	I358-L360 HydrophobicContact CG2-CB 4.16Å; I358-L360 HydrophobicContact CG2-CD1 3.67Å; I358-L360 HydrophobicContact CG2-CG 3.62Å; I358-L360 PolarHBondContact O-N 2.77Å; L360-P362 VanDerWaalsContact O-CD 3.23Å; L360-P362 WeakPolarHBondContact O-CD 3.2Å; L360-P362 VanDerWaalsContact O-N 3.15Å; L360-Y367 HydrophobicContact CB-CD2 4.07Å; L360-Y367 HydrophobicContact CB-CE2 3.78Å; L360-Y367 VanDerWaalsContact O-CE2 3.29Å; L360-Y367 WeakPolarHBondContact O-CE2 3.39Å; L360-H370 HydrophobicContact CD1-CB 4.33Å; L360-H370 WeakPolarHBondContact CD2-NE2 3.37Å; L360-H374 HydrophobicContact CD1-CB 4.44Å
361	D	66	Low	73.9	Confident	62 Å²	62	76.3 Å²	76.3	33%	0.332	40%	0.404	S	S	.	.			trans	-60.7	110.6	-177.5	165.6	28.9	0	0	0	112.2	T363 N364 Y367 R413	D361-T363 VanDerWaalsContact CG-OG1 3.26Å; D361-T363 PolarHBondContact O-N 3.42Å; D361-T363 WeakPolarHBondContact OD1-CA 3.41Å; D361-T363 VanDerWaalsContact OD1-CB 3.32Å; D361-T363 WeakPolarHBondContact OD1-CB 3.5Å; D361-T363 PolarHBondContact OD1-N 2.86Å; D361-T363 PolarHBondContact OD1-OG1 3.32Å; D361-T363 PolarHBondContact OD2-OG1 2.97Å; D361-N364 PolarHBondContact O-N 3.09Å; D361-Y367 WeakPolarHBondContact O-CD2 3.45Å; D361-R413 IonicContact OD1-NH1 3.61Å; D361-R413 WeakPolarHBondContact OD2-CD 3.29Å; D361-R413 IonicContact OD2-CZ 2.74Å; D361-R413 IonicContact OD2-NE 3.75Å; D361-R413 IonicContact OD2-NH1 2.65Å; D361-R413 PolarHBondContact OD2-NH1 3.15Å
362	P	68.1	Low	74.7	Confident	100 Å²	100	72.5 Å²	72.5	65%	0.649	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.2	-178	33.1	-36.2	0	0	0	112.9	L360 N364 Y367	L360-P362 VanDerWaalsContact O-CD 3.23Å; L360-P362 WeakPolarHBondContact O-CD 3.2Å; L360-P362 VanDerWaalsContact O-N 3.15Å; P362-N364 VanDerWaalsContact C-N 3.33Å; P362-Y367 HydrophobicContact CB-CD2 4.49Å; P362-Y367 HydrophobicContact CB-CE2 4.29Å
363	T	72.9	Confident	75.5	Confident	98 Å²	98	66.5 Å²	66.5	60%	0.601	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.8	174	73.2	0	0	0	0	113.1	D361 P365 R413	D361-T363 VanDerWaalsContact CG-OG1 3.26Å; D361-T363 PolarHBondContact O-N 3.42Å; D361-T363 WeakPolarHBondContact OD1-CA 3.41Å; D361-T363 VanDerWaalsContact OD1-CB 3.32Å; D361-T363 WeakPolarHBondContact OD1-CB 3.5Å; D361-T363 PolarHBondContact OD1-N 2.86Å; D361-T363 PolarHBondContact OD1-OG1 3.32Å; D361-T363 PolarHBondContact OD2-OG1 2.97Å; T363-P365 WeakPolarHBondContact O-CD 3.43Å; T363-R413 PolarHBondContact OG1-NH1 3.34Å
364	N	76.1	Confident	76.3	Confident	22 Å²	22	67.7 Å²	67.7	12%	0.118	36%	0.358	C	S	.	.	S	Bend	trans	-74.7	122.9	173.5	-172	-27.7	0	0	0	110.9	D361 P362 S366 Y367 R413	D361-N364 PolarHBondContact O-N 3.09Å; P362-N364 VanDerWaalsContact C-N 3.33Å; N364-S366 PolarHBondContact O-N 3Å; N364-S366 WeakPolarHBondContact OD1-CB 3.5Å; N364-S366 PolarHBondContact OD1-N 2.96Å; N364-Y367 WeakPolarHBondContact O-CB 3.3Å; N364-Y367 PolarHBondContact O-N 2.82Å; N364-R413 PolarHBondContact ND2-O 3.02Å
365	P	77.3	Confident	77.3	Confident	119 Å²	119	67.2 Å²	67.2	77%	0.773	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.8	177	-26.6	35.4	0	0	0	115	T363	T363-P365 WeakPolarHBondContact O-CD 3.43Å
366	S	82.7	Confident	78.5	Confident	23 Å²	23	66.2 Å²	66.2	16%	0.161	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	3.4	-177.8	-45.5	0	0	0	0	113.2	N364 E368 F369 H370 I415 M708	N364-S366 PolarHBondContact O-N 3Å; N364-S366 WeakPolarHBondContact OD1-CB 3.5Å; N364-S366 PolarHBondContact OD1-N 2.96Å; S366-E368 VanDerWaalsContact C-N 3.26Å; S366-E368 PolarHBondContact O-N 2.84Å; S366-E368 VanDerWaalsContact O-N 3.11Å; S366-F369 WeakPolarHBondContact O-CB 3.41Å; S366-F369 PolarHBondContact O-N 3.1Å; S366-H370 PolarHBondContact O-N 3.3Å; S366-H370 VanDerWaalsContact O-N 3.15Å; S366-I415 VanDerWaalsContact O-CD1 3.26Å; S366-I415 WeakPolarHBondContact O-CD1 3.44Å; S366-M708 WeakPolarHBondContact OG-CE 3.29Å
367	Y	84.5	Confident	79.9	Confident	38 Å²	38	64.5 Å²	64.5	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-45.5	-43.8	-177.4	169.6	-99	0	0	0	113.8	L360 D361 P362 N364 F369 H370 M371	L360-Y367 HydrophobicContact CB-CD2 4.07Å; L360-Y367 HydrophobicContact CB-CE2 3.78Å; L360-Y367 VanDerWaalsContact O-CE2 3.29Å; L360-Y367 WeakPolarHBondContact O-CE2 3.39Å; D361-Y367 WeakPolarHBondContact O-CD2 3.45Å; P362-Y367 HydrophobicContact CB-CD2 4.49Å; P362-Y367 HydrophobicContact CB-CE2 4.29Å; N364-Y367 WeakPolarHBondContact O-CB 3.3Å; N364-Y367 PolarHBondContact O-N 2.82Å; Y367-F369 VanDerWaalsContact C-N 3.34Å; Y367-F369 PolarHBondContact O-N 3.29Å; Y367-H370 CarbonylContact O-C 3.58Å; Y367-H370 WeakPolarHBondContact O-CA 3.39Å; Y367-H370 VanDerWaalsContact O-CB 3.3Å; Y367-H370 WeakPolarHBondContact O-CB 3.36Å; Y367-H370 PolarHBondContact O-N 3.32Å; Y367-M371 HydrophobicContact CD1-CG 4.19Å; Y367-M371 HydrophobicContact CD1-SD 4.26Å; Y367-M371 HydrophobicContact CD2-CG 4.44Å; Y367-M371 HydrophobicContact CE1-CG 3.85Å; Y367-M371 HydrophobicContact CE1-SD 3.41Å; Y367-M371 WeakPolarHBondContact CE1-SD 3.36Å; Y367-M371 HydrophobicContact CE2-CG 4.13Å; Y367-M371 HydrophobicContact CE2-SD 4.28Å; Y367-M371 HydrophobicContact CG-CG 4.48Å; Y367-M371 WeakPolarHBondContact O-CG 3.19Å; Y367-M371 PolarHBondContact O-N 2.64Å; Y367-M371 PolarHBondContact OH-SD 2.83Å; Y367-M371 VanDerWaalsContact OH-SD 3.38Å
368	E	86.7	Confident	81.4	Confident	96 Å²	96	63 Å²	63	45%	0.449	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-36.9	179.6	-66.3	174.2	150.8	0	0	113.3	S366 M372 K439	S366-E368 VanDerWaalsContact C-N 3.26Å; S366-E368 PolarHBondContact O-N 2.84Å; S366-E368 VanDerWaalsContact O-N 3.11Å; E368-M372 WeakPolarHBondContact O-CG 3.42Å; E368-M372 PolarHBondContact O-N 2.7Å; E368-M372 VanDerWaalsContact O-N 3.16Å; E368-K439 HydrophobicContact CB-CD 4.25Å; E368-K439 VanDerWaalsContact OE2-CD 3.3Å; E368-K439 WeakPolarHBondContact OE2-CD 3.44Å; E368-K439 VanDerWaalsContact OE2-CE 3.31Å; E368-K439 WeakPolarHBondContact OE2-CE 3.4Å; E368-K439 IonicContact OE2-NZ 2.76Å; E368-K439 PolarHBondContact OE2-NZ 3.17Å
369	F	91.4	Very high	82.9	Confident	22 Å²	22	65.7 Å²	65.7	10%	0.096	35%	0.349	C	S	.	.	H	α-helix	trans	-69	-38.6	171.3	-67.1	-62	0	0	0	110.9	S366 Y367 M371 M372 I373 I415 P431 K439 L441	S366-F369 WeakPolarHBondContact O-CB 3.41Å; S366-F369 PolarHBondContact O-N 3.1Å; Y367-F369 VanDerWaalsContact C-N 3.34Å; Y367-F369 PolarHBondContact O-N 3.29Å; F369-M371 VanDerWaalsContact C-N 3.33Å; F369-M371 PolarHBondContact O-N 3.16Å; F369-M372 HydrophobicContact CD1-CE 3.52Å; F369-M372 HydrophobicContact CE1-CE 4.07Å; F369-M372 HydrophobicContact CG-CE 4.38Å; F369-M372 PolarHBondContact O-N 3.22Å; F369-I373 WeakPolarHBondContact O-CB 3.5Å; F369-I373 VanDerWaalsContact O-CG1 3.27Å; F369-I373 WeakPolarHBondContact O-CG1 3.38Å; F369-I373 PolarHBondContact O-N 3.01Å; F369-I415 HydrophobicContact CB-CD1 4.42Å; F369-P431 HydrophobicContact CD1-CB 3.65Å; F369-P431 HydrophobicContact CD2-CB 4Å; F369-P431 HydrophobicContact CE1-CB 3.58Å; F369-P431 HydrophobicContact CE2-CB 3.92Å; F369-P431 HydrophobicContact CG-CB 3.87Å; F369-P431 HydrophobicContact CZ-CB 3.71Å; F369-K439 HydrophobicContact CD1-CB 4.4Å; F369-K439 HydrophobicContact CD2-CD 4.31Å; F369-K439 HydrophobicContact CE1-CB 3.7Å; F369-K439 HydrophobicContact CE1-CD 4.18Å; F369-K439 HydrophobicContact CE1-CG 4.04Å; F369-K439 HydrophobicContact CE2-CD 3.81Å; F369-K439 HydrophobicContact CE2-CG 4.28Å; F369-K439 HydrophobicContact CZ-CB 3.92Å; F369-K439 HydrophobicContact CZ-CD 3.74Å; F369-K439 HydrophobicContact CZ-CG 3.7Å; F369-L441 HydrophobicContact CD1-CD2 3.93Å
370	H	89.2	Confident	84.3	Confident	55 Å²	55	59.5 Å²	59.5	26%	0.255	32%	0.316	S	S	.	.	H	α-helix	trans	-61.4	-42.1	177.1	-157	-0.9	0	0	0	111.9	L360 S366 Y367 I373 H374 I415	L360-H370 HydrophobicContact CD1-CB 4.33Å; L360-H370 WeakPolarHBondContact CD2-NE2 3.37Å; S366-H370 PolarHBondContact O-N 3.3Å; S366-H370 VanDerWaalsContact O-N 3.15Å; Y367-H370 CarbonylContact O-C 3.58Å; Y367-H370 WeakPolarHBondContact O-CA 3.39Å; Y367-H370 VanDerWaalsContact O-CB 3.3Å; Y367-H370 WeakPolarHBondContact O-CB 3.36Å; Y367-H370 PolarHBondContact O-N 3.32Å; H370-I373 PolarHBondContact O-N 2.68Å; H370-H374 WeakPolarHBondContact O-CB 3.23Å; H370-H374 PolarHBondContact O-N 3.32Å; H370-I415 HydrophobicContact CB-CD1 3.65Å; H370-I415 HydrophobicContact CB-CG1 4.07Å
371	M	87.8	Confident	85.6	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.9	-50.9	173.7	-64.1	-150.3	81.1	0	0	111.6	R355 I358 Y367 F369 I373 H374 E375	R355-M371 HydrophobicContact CG-CE 3.55Å; R355-M371 HydrophobicContact CG-SD 3.94Å; R355-M371 PolarHBondContact NH2-SD 3.02Å; R355-M371 WeakPolarHBondContact O-CE 3.42Å; I358-M371 HydrophobicContact CB-CE 4.23Å; I358-M371 HydrophobicContact CD1-CE 3.57Å; I358-M371 HydrophobicContact CG1-CE 4.47Å; I358-M371 HydrophobicContact CG2-CE 4.4Å; Y367-M371 HydrophobicContact CD1-CG 4.19Å; Y367-M371 HydrophobicContact CD1-SD 4.26Å; Y367-M371 HydrophobicContact CD2-CG 4.44Å; Y367-M371 HydrophobicContact CE1-CG 3.85Å; Y367-M371 HydrophobicContact CE1-SD 3.41Å; Y367-M371 WeakPolarHBondContact CE1-SD 3.36Å; Y367-M371 HydrophobicContact CE2-CG 4.13Å; Y367-M371 HydrophobicContact CE2-SD 4.28Å; Y367-M371 HydrophobicContact CG-CG 4.48Å; Y367-M371 WeakPolarHBondContact O-CG 3.19Å; Y367-M371 PolarHBondContact O-N 2.64Å; Y367-M371 PolarHBondContact OH-SD 2.83Å; Y367-M371 VanDerWaalsContact OH-SD 3.38Å; F369-M371 VanDerWaalsContact C-N 3.33Å; F369-M371 PolarHBondContact O-N 3.16Å; M371-I373 VanDerWaalsContact C-N 3.27Å; M371-I373 PolarHBondContact O-N 2.96Å; M371-H374 PolarHBondContact O-N 3.32Å; M371-H374 VanDerWaalsContact O-N 3.15Å; M371-E375 WeakPolarHBondContact O-CB 3.49Å; M371-E375 VanDerWaalsContact O-CG 3.3Å; M371-E375 WeakPolarHBondContact O-CG 3.19Å; M371-E375 PolarHBondContact O-N 3.34Å
372	M	91.4	Very high	86.8	Confident	42 Å²	42	66.2 Å²	66.2	21%	0.207	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-35.3	179.3	-69.6	-174.1	-67.7	0	0	112.2	E368 F369 Y376 K439 L441	E368-M372 WeakPolarHBondContact O-CG 3.42Å; E368-M372 PolarHBondContact O-N 2.7Å; E368-M372 VanDerWaalsContact O-N 3.16Å; F369-M372 HydrophobicContact CD1-CE 3.52Å; F369-M372 HydrophobicContact CE1-CE 4.07Å; F369-M372 HydrophobicContact CG-CE 4.38Å; F369-M372 PolarHBondContact O-N 3.22Å; M372-Y376 VanDerWaalsContact O-CB 3.26Å; M372-Y376 WeakPolarHBondContact O-CB 3.36Å; M372-Y376 PolarHBondContact O-N 3.28Å; M372-K439 HydrophobicContact CE-CB 4.06Å; M372-L441 HydrophobicContact CB-CD1 3.62Å; M372-L441 HydrophobicContact CB-CG 3.93Å; M372-L441 HydrophobicContact CE-CD2 4.47Å; M372-L441 HydrophobicContact CE-CG 4.37Å
373	I	92.5	Very high	87.9	Confident	1 Å²	1	69 Å²	69	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-67.9	-42.7	175	-69.4	166.6	0	0	0	110.4	F369 H370 M371 Y376 R377 I415 V417 H429 L441	F369-I373 WeakPolarHBondContact O-CB 3.5Å; F369-I373 VanDerWaalsContact O-CG1 3.27Å; F369-I373 WeakPolarHBondContact O-CG1 3.38Å; F369-I373 PolarHBondContact O-N 3.01Å; H370-I373 PolarHBondContact O-N 2.68Å; M371-I373 VanDerWaalsContact C-N 3.27Å; M371-I373 PolarHBondContact O-N 2.96Å; I373-Y376 PolarHBondContact O-N 3.33Å; I373-R377 HydrophobicContact CG2-CG 4.32Å; I373-R377 WeakPolarHBondContact O-CB 3.42Å; I373-R377 VanDerWaalsContact O-CG 3.25Å; I373-R377 WeakPolarHBondContact O-CG 3.42Å; I373-R377 PolarHBondContact O-N 3.1Å; I373-I415 HydrophobicContact CD1-CG2 3.82Å; I373-V417 HydrophobicContact CD1-CB 4.48Å; I373-V417 HydrophobicContact CD1-CG1 3.95Å; I373-H429 HydrophobicContact CD1-CB 3.98Å; I373-H429 HydrophobicContact CG1-CB 3.77Å; I373-L441 HydrophobicContact CB-CD1 4.47Å; I373-L441 HydrophobicContact CD1-CD2 4.41Å; I373-L441 HydrophobicContact CG1-CD1 3.64Å; I373-L441 HydrophobicContact CG1-CD2 4.04Å
374	H	90.3	Very high	88.7	Confident	69 Å²	69	67.2 Å²	67.2	32%	0.319	33%	0.328	S	S	.	.	H	α-helix	trans	-65.6	-47.2	177.1	-179.7	-109.9	0	0	0	112	L360 H370 M371 Y376 R377 N378	L360-H374 HydrophobicContact CD1-CB 4.44Å; H370-H374 WeakPolarHBondContact O-CB 3.23Å; H370-H374 PolarHBondContact O-N 3.32Å; M371-H374 PolarHBondContact O-N 3.32Å; M371-H374 VanDerWaalsContact O-N 3.15Å; H374-Y376 VanDerWaalsContact C-N 3.31Å; H374-Y376 PolarHBondContact O-N 3.31Å; H374-R377 PolarHBondContact O-N 3.45Å; H374-N378 PolarHBondContact CE1-ND2 2.89Å; H374-N378 VanDerWaalsContact CE1-ND2 3.33Å; H374-N378 PolarHBondContact NE2-ND2 2.76Å; H374-N378 VanDerWaalsContact O-CG 3.29Å; H374-N378 PolarHBondContact O-N 3.27Å; H374-N378 VanDerWaalsContact O-N 3.1Å; H374-N378 PolarHBondContact O-ND2 3.38Å; H374-N378 VanDerWaalsContact O-ND2 3.14Å
375	E	90.7	Very high	89.3	Confident	85 Å²	85	66.7 Å²	66.7	40%	0.397	33%	0.325	S	S	.	.	H	α-helix	trans	-54.5	-45.7	172.7	-72.5	169.8	-153.8	0	0	111.1	R355 M371	R355-E375 IonicContact CZ-OE1 3.34Å; R355-E375 IonicContact NH1-OE1 3.63Å; R355-E375 PolarHBondContact NH1-OE1 3.49Å; R355-E375 IonicContact NH2-OE1 3.83Å; M371-E375 WeakPolarHBondContact O-CB 3.49Å; M371-E375 VanDerWaalsContact O-CG 3.3Å; M371-E375 WeakPolarHBondContact O-CG 3.19Å; M371-E375 PolarHBondContact O-N 3.34Å
376	Y	92.1	Very high	89.9	Confident	74 Å²	74	63.8 Å²	63.8	29%	0.29	31%	0.305	S	S	.	.	H	α-helix	trans	-69.7	-42.2	178.1	-171	-90.5	0	0	0	113.1	M372 I373 H374 N378 T379 L380 L427 H429 N443	M372-Y376 VanDerWaalsContact O-CB 3.26Å; M372-Y376 WeakPolarHBondContact O-CB 3.36Å; M372-Y376 PolarHBondContact O-N 3.28Å; I373-Y376 PolarHBondContact O-N 3.33Å; H374-Y376 VanDerWaalsContact C-N 3.31Å; H374-Y376 PolarHBondContact O-N 3.31Å; Y376-N378 PolarHBondContact O-N 2.79Å; Y376-T379 WeakPolarHBondContact O-CB 3.32Å; Y376-T379 PolarHBondContact O-N 2.98Å; Y376-T379 PolarHBondContact O-OG1 2.85Å; Y376-L380 HydrophobicContact CD1-CD1 4.23Å; Y376-L380 HydrophobicContact CD1-CG 4.47Å; Y376-L380 HydrophobicContact CE1-CD1 4.03Å; Y376-L380 HydrophobicContact CE1-CD2 3.98Å; Y376-L380 HydrophobicContact CE1-CG 4.24Å; Y376-L427 HydrophobicContact CE1-CD2 3.72Å; Y376-H429 AromaticContact CD1-CE1 3.4Å; Y376-H429 VanDerWaalsContact CD1-CE1 3.4Å; Y376-H429 WeakPolarHBondContact CD1-CE1 3.49Å; Y376-H429 AromaticContact CE1-CE1 3.65Å; Y376-N443 WeakPolarHBondContact CD2-ND2 3.21Å; Y376-N443 WeakPolarHBondContact CE2-ND2 3.2Å
377	R	93.3	Very high	90.2	Very high	50 Å²	50	66.1 Å²	66.1	19%	0.189	32%	0.316	C	S	.	.	H	α-helix	trans	-57.7	-36.6	176.9	-81	178.9	172.7	-175.8	-3.1	112.1	I373 H374 T379 L380 Y382 D416 I418 T419	I373-R377 HydrophobicContact CG2-CG 4.32Å; I373-R377 WeakPolarHBondContact O-CB 3.42Å; I373-R377 VanDerWaalsContact O-CG 3.25Å; I373-R377 WeakPolarHBondContact O-CG 3.42Å; I373-R377 PolarHBondContact O-N 3.1Å; H374-R377 PolarHBondContact O-N 3.45Å; R377-T379 PolarHBondContact O-N 3.14Å; R377-L380 PolarHBondContact O-N 2.97Å; R377-L380 VanDerWaalsContact O-N 3.15Å; R377-Y382 WeakPolarHBondContact CB-OH 3.48Å; R377-Y382 WeakPolarHBondContact CG-OH 3.45Å; R377-D416 IonicContact CZ-OD2 3.47Å; R377-D416 VanDerWaalsContact CZ-OD2 3.28Å; R377-D416 IonicContact NH1-OD2 3.48Å; R377-D416 PolarHBondContact NH1-OD2 3.48Å; R377-D416 IonicContact NH2-OD1 3.36Å; R377-D416 IonicContact NH2-OD2 2.87Å; R377-D416 PolarHBondContact NH2-OD2 2.89Å; R377-I418 PolarHBondContact NH2-O 3Å; R377-T419 HydrophobicContact CG-CG2 4.28Å; R377-T419 PolarHBondContact NE-OG1 3.16Å; R377-T419 PolarHBondContact NH2-OG1 3.06Å
378	N	90.9	Very high	90.3	Very high	114 Å²	114	70.4 Å²	70.4	61%	0.61	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-4.9	176.1	-66.3	-28.6	0	0	0	114.6	H374 Y376	H374-N378 PolarHBondContact CE1-ND2 2.89Å; H374-N378 VanDerWaalsContact CE1-ND2 3.33Å; H374-N378 PolarHBondContact NE2-ND2 2.76Å; H374-N378 VanDerWaalsContact O-CG 3.29Å; H374-N378 PolarHBondContact O-N 3.27Å; H374-N378 VanDerWaalsContact O-N 3.1Å; H374-N378 PolarHBondContact O-ND2 3.38Å; H374-N378 VanDerWaalsContact O-ND2 3.14Å; Y376-N378 PolarHBondContact O-N 2.79Å
379	T	92	Very high	90.4	Very high	103 Å²	103	67.8 Å²	67.8	63%	0.632	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-5.4	171.7	70	0	0	0	0	114.1	Y376 R377	Y376-T379 WeakPolarHBondContact O-CB 3.32Å; Y376-T379 PolarHBondContact O-N 2.98Å; Y376-T379 PolarHBondContact O-OG1 2.85Å; R377-T379 PolarHBondContact O-N 3.14Å
380	L	91.5	Very high	90.2	Very high	40 Å²	40	73.6 Å²	73.6	21%	0.209	37%	0.366	C	S	.	.	S	Bend	trans	-97.6	141.7	-174.4	-59.5	176.6	0	0	0	111.9	Y376 R377 Y382 T419 P421 L427	Y376-L380 HydrophobicContact CD1-CD1 4.23Å; Y376-L380 HydrophobicContact CD1-CG 4.47Å; Y376-L380 HydrophobicContact CE1-CD1 4.03Å; Y376-L380 HydrophobicContact CE1-CD2 3.98Å; Y376-L380 HydrophobicContact CE1-CG 4.24Å; R377-L380 PolarHBondContact O-N 2.97Å; R377-L380 VanDerWaalsContact O-N 3.15Å; L380-Y382 HydrophobicContact CB-CE2 4.02Å; L380-Y382 WeakPolarHBondContact O-CD2 3.41Å; L380-T419 HydrophobicContact CD1-CG2 3.82Å; L380-P421 HydrophobicContact CB-CB 4.46Å; L380-P421 HydrophobicContact CD1-CB 4.39Å; L380-L427 HydrophobicContact CD1-CD2 4.41Å; L380-L427 HydrophobicContact CD2-CD2 4.48Å
381	E	91.1	Very high	90.2	Very high	127 Å²	127	75 Å²	75	59%	0.593	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-86.8	127.2	165.7	-167.2	-172	175.4	0	0	109.9	R383	E381-R383 VanDerWaalsContact CD-NE 3.32Å; E381-R383 IonicContact OE1-CZ 2.71Å; E381-R383 IonicContact OE1-NE 3.52Å; E381-R383 PolarHBondContact OE1-NE 3.27Å; E381-R383 IonicContact OE1-NH2 2.66Å; E381-R383 PolarHBondContact OE1-NH2 2.65Å; E381-R383 IonicContact OE2-CZ 2.73Å; E381-R383 IonicContact OE2-NE 3.15Å; E381-R383 IonicContact OE2-NH2 2.91Å; E381-R383 PolarHBondContact OE2-NH2 3.07Å
382	Y	90.5	Very high	89.9	Confident	113 Å²	113	79 Å²	79	44%	0.443	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-97.5	121.8	-179.9	-70.1	-94.5	0	0	0	111.5	R377 L380 T419 P421	R377-Y382 WeakPolarHBondContact CB-OH 3.48Å; R377-Y382 WeakPolarHBondContact CG-OH 3.45Å; L380-Y382 HydrophobicContact CB-CE2 4.02Å; L380-Y382 WeakPolarHBondContact O-CD2 3.41Å; Y382-T419 HydrophobicContact CE1-CG2 3.97Å; Y382-T419 WeakPolarHBondContact OH-CG2 3.46Å; Y382-P421 CarbonylContact C-O 3.56Å; Y382-P421 WeakPolarHBondContact CA-O 3.05Å
383	R	91.8	Very high	89.3	Confident	158 Å²	158	82.2 Å²	82.2	60%	0.596	41%	0.412	S	S	*	.	B	Isolated β-bridge	trans	-138.5	71.1	174.1	-61.2	-170.9	-171.1	173.9	9.3	109.5	E381 P421 N422	E381-R383 VanDerWaalsContact CD-NE 3.32Å; E381-R383 IonicContact OE1-CZ 2.71Å; E381-R383 IonicContact OE1-NE 3.52Å; E381-R383 PolarHBondContact OE1-NE 3.27Å; E381-R383 IonicContact OE1-NH2 2.66Å; E381-R383 PolarHBondContact OE1-NH2 2.65Å; E381-R383 IonicContact OE2-CZ 2.73Å; E381-R383 IonicContact OE2-NE 3.15Å; E381-R383 IonicContact OE2-NH2 2.91Å; E381-R383 PolarHBondContact OE2-NH2 3.07Å; R383-P421 PolarHBondContact N-O 2.89Å; R383-N422 HydrophobicContact CB-CB 4.4Å; R383-N422 WeakPolarHBondContact O-CA 3.41Å; R383-N422 WeakPolarHBondContact O-CB 3.48Å
384	P	88.2	Confident	88.7	Confident	61 Å²	61	84.7 Å²	84.7	40%	0.396	42%	0.423	S	S	.	.			trans	-61.7	163.2	-176.2	27.6	-35.9	0	0	0	112.3	T386 D453	P384-T386 PolarHBondContact O-N 2.7Å; P384-D453 WeakPolarHBondContact CB-OD2 3.42Å
385	L	90.2	Very high	88.2	Confident	11 Å²	11	85.3 Å²	85.3	6%	0.058	43%	0.426	C	S	.	.			trans	-67.4	129.1	178.2	178.5	61.5	0	0	0	110.6	D389 K423 Y450 F452 Y464	L385-D389 HydrophobicContact CD1-CB 3.64Å; L385-K423 HydrophobicContact CB-CB 3.68Å; L385-K423 HydrophobicContact CD1-CB 3.82Å; L385-K423 HydrophobicContact CD1-CD 3.87Å; L385-K423 HydrophobicContact CG-CB 4.27Å; L385-Y450 HydrophobicContact CD1-CD1 4.28Å; L385-Y450 HydrophobicContact CD2-CD1 4.14Å; L385-F452 HydrophobicContact CD2-CD1 3.66Å; L385-F452 HydrophobicContact CD2-CE1 3.39Å; L385-F452 HydrophobicContact CD2-CZ 4.29Å; L385-Y464 HydrophobicContact CD1-CD2 4.44Å; L385-Y464 HydrophobicContact CD1-CE1 4.37Å; L385-Y464 HydrophobicContact CD1-CE2 4.17Å; L385-Y464 HydrophobicContact CD2-CD2 3.84Å; L385-Y464 HydrophobicContact CD2-CE2 4.26Å; L385-Y464 HydrophobicContact CD2-CG 4.17Å; L385-Y464 HydrophobicContact CG-CD2 4.33Å; L385-Y464 HydrophobicContact CG-CE2 4.25Å
386	T	89.5	Confident	88	Confident	57 Å²	57	82.4 Å²	82.4	35%	0.35	41%	0.413	S	S	.	.			trans	-109.1	157.8	179.9	68.8	0	0	0	0	111.6	P384 T388 D389 Y464	P384-T386 PolarHBondContact O-N 2.7Å; T386-T388 WeakPolarHBondContact CB-OG1 3.45Å; T386-T388 PolarHBondContact O-N 3.47Å; T386-T388 PolarHBondContact OG1-N 3.46Å; T386-T388 PolarHBondContact OG1-OG1 3.37Å; T386-D389 PolarHBondContact N-OD2 2.94Å; T386-D389 PolarHBondContact O-N 2.75Å; T386-D389 PolarHBondContact OG1-N 3.3Å; T386-D389 PolarHBondContact OG1-OD2 2.88Å; T386-Y464 PolarHBondContact O-OH 3.35Å
387	N	87.9	Confident	87.9	Confident	73 Å²	73	79.5 Å²	79.5	39%	0.39	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-12.4	168.6	-94.7	-58.5	0	0	0	113.7	R463 Y464	N387-R463 PolarHBondContact O-NE 3.44Å; N387-R463 PolarHBondContact O-NH2 3.01Å; N387-R463 WeakPolarHBondContact OD1-CD 3.46Å; N387-R463 PolarHBondContact OD1-NE 2.85Å; N387-R463 PolarHBondContact OD1-NH1 3.28Å; N387-Y464 PolarHBondContact O-OH 2.61Å
388	T	86.9	Confident	87.9	Confident	128 Å²	128	77.1 Å²	77.1	79%	0.785	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-5.4	178.9	35.7	0	0	0	0	114.3	T386	T386-T388 WeakPolarHBondContact CB-OG1 3.45Å; T386-T388 PolarHBondContact O-N 3.47Å; T386-T388 PolarHBondContact OG1-N 3.46Å; T386-T388 PolarHBondContact OG1-OG1 3.37Å
389	D	88.7	Confident	88.1	Confident	40 Å²	40	71.7 Å²	71.7	21%	0.214	37%	0.366	C	S	.	.	S	Bend	trans	-69.3	142	179.5	-84	-79.7	0	0	0	112.6	L385 T386 K423 Y464	L385-D389 HydrophobicContact CD1-CB 3.64Å; T386-D389 PolarHBondContact N-OD2 2.94Å; T386-D389 PolarHBondContact O-N 2.75Å; T386-D389 PolarHBondContact OG1-N 3.3Å; T386-D389 PolarHBondContact OG1-OD2 2.88Å; D389-K423 HydrophobicContact CB-CD 4.35Å; D389-K423 VanDerWaalsContact OD1-CD 3.31Å; D389-K423 WeakPolarHBondContact OD1-CD 3.26Å; D389-K423 WeakPolarHBondContact OD1-CE 3.43Å; D389-K423 IonicContact OD1-NZ 2.66Å; D389-K423 PolarHBondContact OD1-NZ 3.22Å; D389-Y464 HydrophobicContact CB-CE1 4.28Å; D389-Y464 PolarHBondContact N-OH 3.31Å; D389-Y464 WeakPolarHBondContact O-CE1 3.27Å; D389-Y464 PolarHBondContact O-OH 2.64Å
390	L	87.9	Confident	88.4	Confident	144 Å²	144	66.8 Å²	66.8	75%	0.754	34%	0.335	S	S	*	.			trans	-64	143.5	175.2	-61.7	178.1	0	0	0	111.3
391	I	88.2	Confident	88.7	Confident	84 Å²	84	66 Å²	66	43%	0.431	33%	0.33	S	S	.	.			trans	-93.1	114.3	175	-58.6	174.1	0	0	0	108.4	Y450 Y464 P468	I391-Y450 WeakPolarHBondContact CA-OH 3.25Å; I391-Y464 HydrophobicContact CD1-CE1 4.44Å; I391-Y464 HydrophobicContact CG1-CD1 3.77Å; I391-Y464 HydrophobicContact CG1-CE1 3.55Å; I391-P468 HydrophobicContact CD1-CG 4.48Å; I391-P468 HydrophobicContact CG2-CB 4.42Å; I391-P468 HydrophobicContact CG2-CG 3.84Å
392	E	83.2	Confident	89	Confident	85 Å²	85	60.3 Å²	60.3	40%	0.397	30%	0.303	S	S	.	.			trans	-84.5	127.3	174.8	-62.8	172.9	-162.2	0	0	110.7	H394 Y450	E392-H394 VanDerWaalsContact CB-CE1 3.5Å; E392-H394 WeakPolarHBondContact CB-CE1 3.41Å; E392-H394 PolarHBondContact O-ND1 3.13Å; E392-H394 IonicContact OE2-CE1 2.59Å; E392-Y450 PolarHBondContact N-OH 3.05Å
393	D	77.8	Confident	89.3	Confident	110 Å²	110	56.4 Å²	56.4	59%	0.588	29%	0.287	S	S	*	.			trans	-83.3	121.4	-175.3	-170	27.6	0	0	0	112.9	R697	D393-R697 VanDerWaalsContact CG-NH2 3.35Å; D393-R697 IonicContact OD1-CZ 2.68Å; D393-R697 IonicContact OD1-NH1 2.7Å; D393-R697 PolarHBondContact OD1-NH1 2.93Å; D393-R697 IonicContact OD1-NH2 2.65Å; D393-R697 PolarHBondContact OD1-NH2 3.33Å; D393-R697 IonicContact OD2-CZ 3.27Å; D393-R697 IonicContact OD2-NH1 3.47Å; D393-R697 IonicContact OD2-NH2 3.5Å; D393-R697 PolarHBondContact OD2-NH2 3.46Å
394	H	79.6	Confident	89.4	Confident	52 Å²	52	52.5 Å²	52.5	24%	0.241	28%	0.283	C	S	.	.			trans	-135.8	138.4	-173.1	-70	94.3	0	0	0	111.6	E392 C397	E392-H394 VanDerWaalsContact CB-CE1 3.5Å; E392-H394 WeakPolarHBondContact CB-CE1 3.41Å; E392-H394 PolarHBondContact O-ND1 3.13Å; E392-H394 IonicContact OE2-CE1 2.59Å; H394-C397 HydrophobicContact CB-CB 4.26Å
395	Q	81.1	Confident	89.6	Confident	83 Å²	83	51.6 Å²	51.6	39%	0.388	27%	0.273	S	S	.	.	S	Bend	trans	-67.3	-40.6	174	-173.4	-177.6	17.8	0	0	111.8	R697 T698 P729	Q395-R697 WeakPolarHBondContact O-CA 3.49Å; Q395-T698 PolarHBondContact O-N 3Å; Q395-P729 HydrophobicContact CB-CG 3.98Å
396	I	85.1	Confident	89.7	Confident	24 Å²	24	54 Å²	54	12%	0.123	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	114.1	171.5	-60.8	174	0	0	0	105.8	V398 T698 V724 L727	I396-V398 HydrophobicContact CG2-CG2 4.12Å; I396-T698 CarbonylContact C-O 3.6Å; I396-T698 WeakPolarHBondContact CA-O 3.47Å; I396-V724 HydrophobicContact CG2-CG1 3.98Å; I396-L727 HydrophobicContact CD1-CB 3.84Å; I396-L727 HydrophobicContact CD1-CD1 4.21Å
397	C	90.9	Very high	89.7	Confident	13 Å²	13	60.8 Å²	60.8	9%	0.088	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.7	178.1	177.7	0	0	0	0	109.1	H394 T698 C699 M700	H394-C397 HydrophobicContact CB-CB 4.26Å; C397-T698 PolarHBondContact N-O 2.8Å; C397-C699 HydrophobicContact CB-CB 4.38Å; C397-C699 CarbonylContact O-C 3.55Å; C397-C699 VanDerWaalsContact O-CA 3.29Å; C397-C699 WeakPolarHBondContact O-CA 3.28Å; C397-M700 PolarHBondContact O-N 3.3Å
398	V	93.5	Very high	89.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	114.7	-178.5	-173.2	0	0	0	0	110	I396 F448 D449 A721 V724 K725	I396-V398 HydrophobicContact CG2-CG2 4.12Å; V398-F448 HydrophobicContact CG1-CD1 3.85Å; V398-F448 HydrophobicContact CG1-CE1 4.31Å; V398-D449 PolarHBondContact N-OD2 3Å; V398-D449 PolarHBondContact O-N 2.86Å; V398-A721 HydrophobicContact CG1-CB 3.82Å; V398-V724 HydrophobicContact CG2-CB 4.05Å; V398-V724 HydrophobicContact CG2-CG1 3.91Å; V398-K725 HydrophobicContact CB-CB 4.19Å; V398-K725 HydrophobicContact CG2-CB 3.97Å
399	C	95.5	Very high	89.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	151.5	-178.9	-55.4	0	0	0	0	111.4	Y450 F452 T465 M700 A702	C399-Y450 CarbonylContact C-O 3.51Å; C399-Y450 WeakPolarHBondContact CA-O 3.06Å; C399-F452 HydrophobicContact CB-CE2 3.84Å; C399-T465 HydrophobicContact CB-CG2 4.03Å; C399-M700 PolarHBondContact N-O 2.81Å; C399-A702 PolarHBondContact O-N 3.06Å
400	V	97.6	Very high	89.8	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.4	170.6	169.8	0	0	0	0	110.3	V426 F448 Y450 F452 A702 I704 L718	V400-V426 HydrophobicContact CB-CG2 4.09Å; V400-V426 HydrophobicContact CG1-CG2 3.91Å; V400-F448 HydrophobicContact CB-CD2 4.03Å; V400-F448 HydrophobicContact CB-CE2 4.42Å; V400-F448 HydrophobicContact CB-CG 4.35Å; V400-F448 HydrophobicContact CG2-CB 4.47Å; V400-F448 HydrophobicContact CG2-CD1 3.89Å; V400-F448 HydrophobicContact CG2-CD2 3.37Å; V400-F448 HydrophobicContact CG2-CE1 3.98Å; V400-F448 HydrophobicContact CG2-CE2 3.46Å; V400-F448 VanDerWaalsContact CG2-CE2 3.46Å; V400-F448 HydrophobicContact CG2-CG 3.59Å; V400-F448 HydrophobicContact CG2-CZ 3.77Å; V400-Y450 PolarHBondContact N-O 3.28Å; V400-F452 WeakPolarHBondContact O-CD2 3.44Å; V400-F452 PolarHBondContact O-N 3.38Å; V400-A702 CarbonylContact C-O 3.57Å; V400-A702 VanDerWaalsContact CA-O 3.3Å; V400-A702 WeakPolarHBondContact CA-O 3.45Å; V400-A702 HydrophobicContact CG2-CB 3.93Å; V400-I704 HydrophobicContact CG1-CD1 3.61Å; V400-I704 HydrophobicContact CG1-CG1 3.96Å; V400-I704 HydrophobicContact CG1-CG2 4.34Å; V400-L718 HydrophobicContact CB-CD2 4.48Å; V400-L718 HydrophobicContact CG1-CD2 3.98Å; V400-L718 HydrophobicContact CG2-CD2 3.65Å
401	R	97.7	Very high	89.9	Confident	23 Å²	23	57.4 Å²	57.4	9%	0.087	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.8	171.1	-173	-176.1	-167.6	178.3	9.7	111.1	F452 S456 D457 N458 V461 T494 I701 A702 M703 I704	R401-F452 HydrophobicContact CB-CB 4.23Å; R401-F452 HydrophobicContact CB-CD2 4.24Å; R401-F452 HydrophobicContact CG-CB 4.06Å; R401-S456 PolarHBondContact NH2-O 2.99Å; R401-D457 PolarHBondContact NH2-O 3.3Å; R401-N458 PolarHBondContact NH1-OD1 3.38Å; R401-N458 PolarHBondContact NH2-OD1 3.38Å; R401-V461 HydrophobicContact CG-CG2 4.36Å; R401-T494 PolarHBondContact NH1-OG1 2.92Å; R401-I701 HydrophobicContact CB-CG2 4.49Å; R401-A702 PolarHBondContact N-O 3.15Å; R401-M703 HydrophobicContact CB-SD 3.92Å; R401-I704 WeakPolarHBondContact O-CG1 3.22Å; R401-I704 PolarHBondContact O-N 2.87Å
402	K	97.7	Very high	89.8	Confident	8 Å²	8	61.7 Å²	61.7	4%	0.035	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129.1	161.5	-174.1	-169.5	-180	-169.1	0	108	D416 I418 V420 F452 D453 D454 I704 P706	K402-D416 WeakPolarHBondContact CE-OD1 3.45Å; K402-D416 VanDerWaalsContact NZ-CG 3.26Å; K402-D416 IonicContact NZ-OD1 2.78Å; K402-D416 PolarHBondContact NZ-OD1 3.49Å; K402-D416 VanDerWaalsContact NZ-OD1 3.15Å; K402-D416 IonicContact NZ-OD2 3.66Å; K402-D416 PolarHBondContact NZ-OD2 3.1Å; K402-I418 HydrophobicContact CB-CG2 4.49Å; K402-I418 HydrophobicContact CD-CB 4.31Å; K402-I418 HydrophobicContact CD-CG2 4Å; K402-I418 VanDerWaalsContact CE-O 3.28Å; K402-I418 WeakPolarHBondContact CE-O 3.36Å; K402-I418 HydrophobicContact CG-CG2 4.07Å; K402-I418 PolarHBondContact NZ-O 3.49Å; K402-V420 HydrophobicContact CB-CG2 4.33Å; K402-F452 PolarHBondContact N-O 3.15Å; K402-D453 CarbonylContact O-C 3.56Å; K402-D453 VanDerWaalsContact O-O 3.08Å; K402-D454 HydrophobicContact CD-CB 3.97Å; K402-D454 WeakPolarHBondContact CE-OD2 3.31Å; K402-D454 HydrophobicContact CG-CB 4.23Å; K402-D454 IonicContact NZ-OD1 3.12Å; K402-D454 IonicContact NZ-OD2 3.33Å; K402-D454 PolarHBondContact NZ-OD2 3.39Å; K402-I704 HydrophobicContact CB-CG1 4.38Å; K402-P706 HydrophobicContact CG-CB 4.44Å
403	R	95.6	Very high	89.9	Confident	31 Å²	31	64 Å²	64	12%	0.117	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-89.1	156.8	164.2	64.9	154.4	177.5	81.2	4.6	110.5	E409 G488 S489 I704 S705 P706	R403-E409 IonicContact CZ-OE1 3.13Å; R403-E409 IonicContact CZ-OE2 2.69Å; R403-E409 IonicContact NH1-OE1 2.94Å; R403-E409 PolarHBondContact NH1-OE1 3.47Å; R403-E409 IonicContact NH1-OE2 3.71Å; R403-E409 PolarHBondContact NH1-OE2 2.84Å; R403-E409 IonicContact NH2-OE1 3.18Å; R403-E409 PolarHBondContact NH2-OE1 3.05Å; R403-E409 IonicContact NH2-OE2 3.5Å; R403-G488 WeakPolarHBondContact CD-O 3.37Å; R403-G488 PolarHBondContact NE-O 2.83Å; R403-S489 WeakPolarHBondContact CD-O 3.24Å; R403-S489 WeakPolarHBondContact CG-O 3.35Å; R403-I704 PolarHBondContact N-O 2.69Å; R403-S705 PolarHBondContact NH2-OG 2.69Å; R403-P706 WeakPolarHBondContact O-CD 3.15Å; R403-P706 VanDerWaalsContact O-CG 3.25Å; R403-P706 WeakPolarHBondContact O-CG 3.49Å
404	P	95.4	Very high	90.5	Very high	76 Å²	76	60.4 Å²	60.4	49%	0.494	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-62.1	158	168.5	25	-34.4	0	0	0	112.7	D454	P404-D454 HydrophobicContact CB-CB 4.1Å
405	M	92.7	Very high	91	Very high	41 Å²	41	58 Å²	58	20%	0.202	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-64.1	133.2	169.5	-68.7	-78.3	-79.1	0	0	109.8	E409 L410 E414 D416 P706	M405-E409 WeakPolarHBondContact CA-OE2 3.49Å; M405-E409 HydrophobicContact CE-CB 3.88Å; M405-E409 HydrophobicContact SD-CB 4.35Å; M405-L410 HydrophobicContact CB-CD1 3.54Å; M405-L410 WeakPolarHBondContact O-CD1 3.38Å; M405-E414 HydrophobicContact CE-CB 3.84Å; M405-E414 WeakPolarHBondContact CE-O 3.39Å; M405-D416 HydrophobicContact CG-CB 4.12Å; M405-D416 HydrophobicContact SD-CB 4.26Å; M405-P706 HydrophobicContact CG-CB 4.15Å; M405-P706 HydrophobicContact CG-CG 3.78Å; M405-P706 HydrophobicContact SD-CB 3.81Å; M405-P706 HydrophobicContact SD-CG 3.5Å; M405-P706 VanDerWaalsContact SD-CG 3.5Å
406	N	90.5	Very high	91.7	Very high	61 Å²	61	55.1 Å²	55.1	33%	0.326	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-94.3	162.2	-175.7	81.2	66.7	0	0	0	112.4	K408 E409 L410	N406-K408 PolarHBondContact O-N 2.94Å; N406-K408 WeakPolarHBondContact OD1-CA 3.38Å; N406-K408 VanDerWaalsContact OD1-CB 3.28Å; N406-K408 WeakPolarHBondContact OD1-CB 3.19Å; N406-K408 PolarHBondContact OD1-N 3.36Å; N406-E409 PolarHBondContact N-OE2 3.01Å; N406-E409 WeakPolarHBondContact ND2-CG 3.35Å; N406-E409 PolarHBondContact ND2-OE1 3.28Å; N406-E409 PolarHBondContact ND2-OE2 3.04Å; N406-E409 WeakPolarHBondContact O-CB 3.49Å; N406-E409 PolarHBondContact O-N 3.39Å; N406-E409 PolarHBondContact OD1-N 3.49Å; N406-L410 WeakPolarHBondContact O-CD1 3.39Å; N406-L410 PolarHBondContact O-N 2.89Å
407	K	90	Very high	92.3	Very high	200 Å²	200	54 Å²	54	87%	0.87	26%	0.264	S	S	*	.	H	α-helix	trans	-54.9	-29.5	-175.2	-64.9	-175.1	179.6	-178.5	0	114.6	G411	K407-G411 PolarHBondContact O-N 3.02Å
408	K	87.1	Confident	92.6	Very high	129 Å²	129	53.4 Å²	53.4	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-73	-39	174.9	-58.5	178.8	179.4	176.1	0	111.6	N406 G411 R412	N406-K408 PolarHBondContact O-N 2.94Å; N406-K408 WeakPolarHBondContact OD1-CA 3.38Å; N406-K408 VanDerWaalsContact OD1-CB 3.28Å; N406-K408 WeakPolarHBondContact OD1-CB 3.19Å; N406-K408 PolarHBondContact OD1-N 3.36Å; K408-G411 PolarHBondContact O-N 3.47Å; K408-R412 VanDerWaalsContact O-CG 3.27Å; K408-R412 WeakPolarHBondContact O-CG 3.46Å; K408-R412 PolarHBondContact O-N 2.94Å
409	E	90.7	Very high	92.7	Very high	10 Å²	10	53.6 Å²	53.6	5%	0.047	26%	0.261	C	S	.	.	H	α-helix	trans	-68.8	-44.1	178.2	-66.6	166.1	152	0	0	111.2	R403 M405 N406 R412 R413 E414	R403-E409 IonicContact CZ-OE1 3.13Å; R403-E409 IonicContact CZ-OE2 2.69Å; R403-E409 IonicContact NH1-OE1 2.94Å; R403-E409 PolarHBondContact NH1-OE1 3.47Å; R403-E409 IonicContact NH1-OE2 3.71Å; R403-E409 PolarHBondContact NH1-OE2 2.84Å; R403-E409 IonicContact NH2-OE1 3.18Å; R403-E409 PolarHBondContact NH2-OE1 3.05Å; R403-E409 IonicContact NH2-OE2 3.5Å; M405-E409 WeakPolarHBondContact CA-OE2 3.49Å; M405-E409 HydrophobicContact CE-CB 3.88Å; M405-E409 HydrophobicContact SD-CB 4.35Å; N406-E409 PolarHBondContact N-OE2 3.01Å; N406-E409 WeakPolarHBondContact ND2-CG 3.35Å; N406-E409 PolarHBondContact ND2-OE1 3.28Å; N406-E409 PolarHBondContact ND2-OE2 3.04Å; N406-E409 WeakPolarHBondContact O-CB 3.49Å; N406-E409 PolarHBondContact O-N 3.39Å; N406-E409 PolarHBondContact OD1-N 3.49Å; E409-R412 PolarHBondContact O-N 3.45Å; E409-R413 PolarHBondContact O-N 3.45Å; E409-E414 HydrophobicContact CB-CB 4.31Å; E409-E414 PolarHBondContact O-N 3.26Å
410	L	89.1	Confident	92.8	Very high	108 Å²	108	54.1 Å²	54.1	57%	0.565	26%	0.264	S	S	*	.	H	α-helix	trans	-60.8	-44.3	171.7	-79.1	85.5	0	0	0	111.3	M405 N406 R412 R413	M405-L410 HydrophobicContact CB-CD1 3.54Å; M405-L410 WeakPolarHBondContact O-CD1 3.38Å; N406-L410 WeakPolarHBondContact O-CD1 3.39Å; N406-L410 PolarHBondContact O-N 2.89Å; L410-R412 PolarHBondContact O-N 2.76Å; L410-R413 PolarHBondContact O-N 2.91Å
411	G	88.4	Confident	92.6	Very high	67 Å²	67	54.5 Å²	54.5	69%	0.691	27%	0.266	S	S	*	.	H	α-helix	trans	-62.1	-27.5	177.4	0	0	0	0	0	114.1	K407 K408 R413	K407-G411 PolarHBondContact O-N 3.02Å; K408-G411 PolarHBondContact O-N 3.47Å; G411-R413 VanDerWaalsContact C-N 3.35Å
412	R	86.8	Confident	92.4	Very high	175 Å²	175	55.6 Å²	55.6	66%	0.66	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.3	172.3	-72.5	169.2	177.7	-177.4	-2.3	114.1	K408 E409 L410 E414	K408-R412 VanDerWaalsContact O-CG 3.27Å; K408-R412 WeakPolarHBondContact O-CG 3.46Å; K408-R412 PolarHBondContact O-N 2.94Å; E409-R412 PolarHBondContact O-N 3.45Å; L410-R412 PolarHBondContact O-N 2.76Å; R412-E414 HydrophobicContact CB-CG 3.94Å; R412-E414 WeakPolarHBondContact CD-OE1 3.37Å; R412-E414 IonicContact NH1-OE1 2.69Å; R412-E414 PolarHBondContact NH1-OE1 2.94Å; R412-E414 PolarHBondContact O-N 3.17Å
413	R	85.3	Confident	92.2	Very high	132 Å²	132	57.4 Å²	57.4	50%	0.498	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	36.1	-170.2	-49.7	-174.3	-172.6	166.5	4.4	113	D361 T363 N364 E409 L410 G411	D361-R413 IonicContact OD1-NH1 3.61Å; D361-R413 WeakPolarHBondContact OD2-CD 3.29Å; D361-R413 IonicContact OD2-CZ 2.74Å; D361-R413 IonicContact OD2-NE 3.75Å; D361-R413 IonicContact OD2-NH1 2.65Å; D361-R413 PolarHBondContact OD2-NH1 3.15Å; T363-R413 PolarHBondContact OG1-NH1 3.34Å; N364-R413 PolarHBondContact ND2-O 3.02Å; E409-R413 PolarHBondContact O-N 3.45Å; L410-R413 PolarHBondContact O-N 2.91Å; G411-R413 VanDerWaalsContact C-N 3.35Å
414	E	89.8	Confident	92.1	Very high	35 Å²	35	57 Å²	57	16%	0.164	28%	0.281	C	S	.	.			trans	-65.3	145.1	172	-69.9	-171.6	-135.8	0	0	110.6	M405 E409 R412 S709	M405-E414 HydrophobicContact CE-CB 3.84Å; M405-E414 WeakPolarHBondContact CE-O 3.39Å; E409-E414 HydrophobicContact CB-CB 4.31Å; E409-E414 PolarHBondContact O-N 3.26Å; R412-E414 HydrophobicContact CB-CG 3.94Å; R412-E414 WeakPolarHBondContact CD-OE1 3.37Å; R412-E414 IonicContact NH1-OE1 2.69Å; R412-E414 PolarHBondContact NH1-OE1 2.94Å; R412-E414 PolarHBondContact O-N 3.17Å; E414-S709 WeakPolarHBondContact OE2-CB 3.02Å; E414-S709 PolarHBondContact OE2-OG 3.07Å
415	I	91.2	Very high	92.1	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	27%	0.267	C	S	.	.			trans	-91.7	139.2	178	-62.3	162.6	0	0	0	109.4	S366 F369 H370 I373 V417 G707 M708	S366-I415 VanDerWaalsContact O-CD1 3.26Å; S366-I415 WeakPolarHBondContact O-CD1 3.44Å; F369-I415 HydrophobicContact CB-CD1 4.42Å; H370-I415 HydrophobicContact CB-CD1 3.65Å; H370-I415 HydrophobicContact CB-CG1 4.07Å; I373-I415 HydrophobicContact CD1-CG2 3.82Å; I415-V417 HydrophobicContact CG2-CG1 4.4Å; I415-V417 PolarHBondContact O-N 3.26Å; I415-G707 CarbonylContact O-C 3.53Å; I415-M708 HydrophobicContact CD1-SD 4.43Å; I415-M708 PolarHBondContact O-N 3.31Å
416	D	95.5	Very high	92.3	Very high	23 Å²	23	53.3 Å²	53.3	12%	0.123	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-73.8	111.3	165.3	166.5	36.1	0	0	0	110.4	R377 K402 M405 I418 P706	R377-D416 IonicContact CZ-OD2 3.47Å; R377-D416 VanDerWaalsContact CZ-OD2 3.28Å; R377-D416 IonicContact NH1-OD2 3.48Å; R377-D416 PolarHBondContact NH1-OD2 3.48Å; R377-D416 IonicContact NH2-OD1 3.36Å; R377-D416 IonicContact NH2-OD2 2.87Å; R377-D416 PolarHBondContact NH2-OD2 2.89Å; K402-D416 WeakPolarHBondContact CE-OD1 3.45Å; K402-D416 VanDerWaalsContact NZ-CG 3.26Å; K402-D416 IonicContact NZ-OD1 2.78Å; K402-D416 PolarHBondContact NZ-OD1 3.49Å; K402-D416 VanDerWaalsContact NZ-OD1 3.15Å; K402-D416 IonicContact NZ-OD2 3.66Å; K402-D416 PolarHBondContact NZ-OD2 3.1Å; M405-D416 HydrophobicContact CG-CB 4.12Å; M405-D416 HydrophobicContact SD-CB 4.26Å; D416-I418 PolarHBondContact OD1-N 3Å; D416-I418 VanDerWaalsContact OD1-N 3.08Å; D416-P706 WeakPolarHBondContact CA-O 3.49Å; D416-P706 HydrophobicContact CB-CB 4.43Å; D416-P706 VanDerWaalsContact OD1-CB 3.3Å; D416-P706 WeakPolarHBondContact OD1-CB 3.36Å
417	V	96.4	Very high	92.6	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	24%	0.243	C	C	.	.			trans	-98.3	7.8	-179.2	-60.5	0	0	0	0	113.4	I373 I415 H429 P431 P706 M708 C711	I373-V417 HydrophobicContact CD1-CB 4.48Å; I373-V417 HydrophobicContact CD1-CG1 3.95Å; I415-V417 HydrophobicContact CG2-CG1 4.4Å; I415-V417 PolarHBondContact O-N 3.26Å; V417-H429 HydrophobicContact CB-CB 4.43Å; V417-H429 PolarHBondContact O-CD2 2.95Å; V417-H429 VanDerWaalsContact O-CD2 3.31Å; V417-H429 PolarHBondContact O-N 2.83Å; V417-P431 HydrophobicContact CG1-CG 4.28Å; V417-P706 WeakPolarHBondContact CG2-O 3.39Å; V417-P706 PolarHBondContact N-O 3.18Å; V417-M708 HydrophobicContact CG1-CB 3.83Å; V417-M708 HydrophobicContact CG1-CG 3.87Å; V417-C711 HydrophobicContact CG2-CB 4.16Å
418	I	97.3	Very high	92.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.3	-171.5	-56.4	-59.1	0	0	0	111	R377 K402 D416 V426 V428 I704 T714	R377-I418 PolarHBondContact NH2-O 3Å; K402-I418 HydrophobicContact CB-CG2 4.49Å; K402-I418 HydrophobicContact CD-CB 4.31Å; K402-I418 HydrophobicContact CD-CG2 4Å; K402-I418 VanDerWaalsContact CE-O 3.28Å; K402-I418 WeakPolarHBondContact CE-O 3.36Å; K402-I418 HydrophobicContact CG-CG2 4.07Å; K402-I418 PolarHBondContact NZ-O 3.49Å; D416-I418 PolarHBondContact OD1-N 3Å; D416-I418 VanDerWaalsContact OD1-N 3.08Å; I418-V426 HydrophobicContact CG2-CG1 4.2Å; I418-V428 HydrophobicContact CD1-CB 4.2Å; I418-V428 HydrophobicContact CD1-CG1 3.92Å; I418-V428 HydrophobicContact CD1-CG2 3.84Å; I418-I704 HydrophobicContact CG2-CD1 3.62Å; I418-T714 HydrophobicContact CD1-CG2 3.59Å; I418-T714 HydrophobicContact CG1-CG2 4.35Å
419	T	96.6	Very high	93.4	Very high	3 Å²	3	35 Å²	35	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.2	179.3	-53	0	0	0	0	110.8	R377 L380 Y382 P421 L427 H429	R377-T419 HydrophobicContact CG-CG2 4.28Å; R377-T419 PolarHBondContact NE-OG1 3.16Å; R377-T419 PolarHBondContact NH2-OG1 3.06Å; L380-T419 HydrophobicContact CD1-CG2 3.82Å; Y382-T419 HydrophobicContact CE1-CG2 3.97Å; Y382-T419 WeakPolarHBondContact OH-CG2 3.46Å; T419-P421 VanDerWaalsContact O-CD 3.28Å; T419-P421 WeakPolarHBondContact O-CD 3.14Å; T419-L427 PolarHBondContact N-O 3.17Å; T419-L427 PolarHBondContact O-N 3.35Å; T419-H429 WeakPolarHBondContact CB-NE2 3.32Å; T419-H429 PolarHBondContact OG1-CD2 2.87Å; T419-H429 PolarHBondContact OG1-NE2 3.26Å
420	V	96.5	Very high	93.6	Very high	12 Å²	12	36.4 Å²	36.4	7%	0.073	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	87.2	175.1	-177.2	0	0	0	0	107.5	K402 N422 V426 A451 D453	K402-V420 HydrophobicContact CB-CG2 4.33Å; V420-N422 VanDerWaalsContact C-N 3.33Å; V420-V426 HydrophobicContact CG2-CG2 4.34Å; V420-A451 HydrophobicContact CG1-CB 3.81Å; V420-D453 HydrophobicContact CB-CB 4.18Å; V420-D453 HydrophobicContact CG1-CB 4.45Å
421	P	94.5	Very high	93.8	Very high	7 Å²	7	32.9 Å²	32.9	5%	0.045	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-25.4	-177.7	29.6	-36	0	0	0	112.4	L380 Y382 R383 T419 H425 L427	L380-P421 HydrophobicContact CB-CB 4.46Å; L380-P421 HydrophobicContact CD1-CB 4.39Å; Y382-P421 CarbonylContact C-O 3.56Å; Y382-P421 WeakPolarHBondContact CA-O 3.05Å; R383-P421 PolarHBondContact N-O 2.89Å; T419-P421 VanDerWaalsContact O-CD 3.28Å; T419-P421 WeakPolarHBondContact O-CD 3.14Å; P421-H425 WeakPolarHBondContact CD-O 3.48Å; P421-L427 HydrophobicContact CG-CD1 3.74Å
422	N	93.3	Very high	94.1	Very high	46 Å²	46	32 Å²	32	25%	0.246	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	165.8	178.1	65.9	73.3	0	0	0	112.9	R383 V420 Q424 H425	R383-N422 HydrophobicContact CB-CB 4.4Å; R383-N422 WeakPolarHBondContact O-CA 3.41Å; R383-N422 WeakPolarHBondContact O-CB 3.48Å; V420-N422 VanDerWaalsContact C-N 3.33Å; N422-Q424 PolarHBondContact O-N 3.45Å; N422-Q424 PolarHBondContact OD1-N 3.42Å; N422-Q424 VanDerWaalsContact OD1-N 3.15Å; N422-H425 PolarHBondContact ND2-ND1 2.89Å; N422-H425 PolarHBondContact O-N 2.95Å; N422-H425 PolarHBondContact OD1-N 3.48Å; N422-H425 PolarHBondContact OD1-ND1 2.82Å
423	K	93.4	Very high	94.3	Very high	46 Å²	46	27.2 Å²	27.2	20%	0.2	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-9.8	-174.8	73.5	171.4	-173.1	175.5	0	117.9	L385 D389 Y450 A451	L385-K423 HydrophobicContact CB-CB 3.68Å; L385-K423 HydrophobicContact CD1-CB 3.82Å; L385-K423 HydrophobicContact CD1-CD 3.87Å; L385-K423 HydrophobicContact CG-CB 4.27Å; D389-K423 HydrophobicContact CB-CD 4.35Å; D389-K423 VanDerWaalsContact OD1-CD 3.31Å; D389-K423 WeakPolarHBondContact OD1-CD 3.26Å; D389-K423 WeakPolarHBondContact OD1-CE 3.43Å; D389-K423 IonicContact OD1-NZ 2.66Å; D389-K423 PolarHBondContact OD1-NZ 3.22Å; K423-Y450 CarbonylContact O-C 3.58Å; K423-Y450 VanDerWaalsContact O-CA 3.29Å; K423-Y450 WeakPolarHBondContact O-CA 3.4Å; K423-A451 PolarHBondContact O-N 3.35Å
424	Q	93.6	Very high	94.7	Very high	24 Å²	24	25.8 Å²	25.8	11%	0.112	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-12.2	175.8	-77.7	-172.4	0.6	0	0	114.2	N422 R447 F448	N422-Q424 PolarHBondContact O-N 3.45Å; N422-Q424 PolarHBondContact OD1-N 3.42Å; N422-Q424 VanDerWaalsContact OD1-N 3.15Å; Q424-R447 HydrophobicContact CB-CG 4.31Å; Q424-R447 CarbonylContact O-C 3.6Å; Q424-R447 VanDerWaalsContact O-CA 3.28Å; Q424-R447 WeakPolarHBondContact O-CA 3.49Å; Q424-F448 PolarHBondContact O-N 2.85Å
425	H	95	Very high	94.9	Very high	39 Å²	39	31.6 Å²	31.6	18%	0.181	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.5	-169	-63.8	88.8	0	0	0	113	P421 N422 L427 Q445 F446	P421-H425 WeakPolarHBondContact CD-O 3.48Å; N422-H425 PolarHBondContact ND2-ND1 2.89Å; N422-H425 PolarHBondContact O-N 2.95Å; N422-H425 PolarHBondContact OD1-N 3.48Å; N422-H425 PolarHBondContact OD1-ND1 2.82Å; H425-L427 HydrophobicContact CB-CD1 4.4Å; H425-Q445 PolarHBondContact CD2-NE2 3.44Å; H425-Q445 VanDerWaalsContact CD2-NE2 3.3Å; H425-F446 WeakPolarHBondContact CA-O 3.49Å
426	V	96.8	Very high	95	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.5	173.8	-178.7	0	0	0	0	107.9	V400 I418 V420 F446 F448 A451 I704 L718	V400-V426 HydrophobicContact CB-CG2 4.09Å; V400-V426 HydrophobicContact CG1-CG2 3.91Å; I418-V426 HydrophobicContact CG2-CG1 4.2Å; V420-V426 HydrophobicContact CG2-CG2 4.34Å; V426-F446 PolarHBondContact N-O 3.37Å; V426-F446 PolarHBondContact O-N 3.14Å; V426-F448 HydrophobicContact CB-CD2 4.4Å; V426-F448 HydrophobicContact CB-CE2 4.29Å; V426-F448 HydrophobicContact CG2-CD2 3.89Å; V426-F448 HydrophobicContact CG2-CE2 4.2Å; V426-A451 HydrophobicContact CG2-CB 3.76Å; V426-I704 HydrophobicContact CG1-CD1 4Å; V426-L718 HydrophobicContact CG1-CD1 4.34Å; V426-L718 HydrophobicContact CG1-CD2 4.39Å
427	L	96.5	Very high	94.7	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.4	175	-76.8	72.8	0	0	0	109.6	Y376 L380 T419 P421 H425 Q444 Q445	Y376-L427 HydrophobicContact CE1-CD2 3.72Å; L380-L427 HydrophobicContact CD1-CD2 4.41Å; L380-L427 HydrophobicContact CD2-CD2 4.48Å; T419-L427 PolarHBondContact N-O 3.17Å; T419-L427 PolarHBondContact O-N 3.35Å; P421-L427 HydrophobicContact CG-CD1 3.74Å; H425-L427 HydrophobicContact CB-CD1 4.4Å; L427-Q444 WeakPolarHBondContact CA-O 3.31Å; L427-Q445 HydrophobicContact CD1-CG 4Å; L427-Q445 HydrophobicContact CG-CB 4.32Å; L427-Q445 HydrophobicContact CG-CG 4.24Å
428	V	97.4	Very high	94.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.3	171.1	-174.1	0	0	0	0	108.3	I418 E430 N443 Q444 F446 L715 L718	I418-V428 HydrophobicContact CD1-CB 4.2Å; I418-V428 HydrophobicContact CD1-CG1 3.92Å; I418-V428 HydrophobicContact CD1-CG2 3.84Å; V428-E430 PolarHBondContact O-N 2.97Å; V428-N443 WeakPolarHBondContact O-CA 3.13Å; V428-Q444 PolarHBondContact N-O 2.76Å; V428-Q444 PolarHBondContact O-N 3Å; V428-F446 HydrophobicContact CG2-CD2 4.19Å; V428-F446 HydrophobicContact CG2-CE2 3.81Å; V428-L715 HydrophobicContact CB-CD2 4.06Å; V428-L715 HydrophobicContact CG1-CD2 3.91Å; V428-L715 HydrophobicContact CG1-CG 4.09Å; V428-L715 HydrophobicContact CG2-CD2 4.02Å; V428-L718 HydrophobicContact CG2-CD1 3.39Å
429	H	96.5	Very high	94.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	77.3	174.5	-56.1	-57.7	0	0	0	109.2	I373 Y376 V417 T419 P431 L441 N443	I373-H429 HydrophobicContact CD1-CB 3.98Å; I373-H429 HydrophobicContact CG1-CB 3.77Å; Y376-H429 AromaticContact CD1-CE1 3.4Å; Y376-H429 VanDerWaalsContact CD1-CE1 3.4Å; Y376-H429 WeakPolarHBondContact CD1-CE1 3.49Å; Y376-H429 AromaticContact CE1-CE1 3.65Å; V417-H429 HydrophobicContact CB-CB 4.43Å; V417-H429 PolarHBondContact O-CD2 2.95Å; V417-H429 VanDerWaalsContact O-CD2 3.31Å; V417-H429 PolarHBondContact O-N 2.83Å; T419-H429 WeakPolarHBondContact CB-NE2 3.32Å; T419-H429 PolarHBondContact OG1-CD2 2.87Å; T419-H429 PolarHBondContact OG1-NE2 3.26Å; H429-P431 WeakPolarHBondContact O-CD 3.47Å; H429-L441 HydrophobicContact CB-CD1 4.35Å; H429-L441 HydrophobicContact CB-CD2 4.37Å; H429-N443 PolarHBondContact ND1-OD1 2.91Å
430	E	95.9	Very high	94	Very high	39 Å²	39	52 Å²	52	18%	0.182	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	115	-176.7	-168.3	-176.5	-176	0	0	109.8	V428 K432 E442 Q444 L715	V428-E430 PolarHBondContact O-N 2.97Å; E430-K432 VanDerWaalsContact CD-NZ 3.3Å; E430-K432 HydrophobicContact CG-CG 4.39Å; E430-K432 PolarHBondContact O-N 3.23Å; E430-K432 WeakPolarHBondContact OE1-CE 3.43Å; E430-K432 IonicContact OE1-NZ 2.77Å; E430-K432 PolarHBondContact OE1-NZ 3.29Å; E430-K432 WeakPolarHBondContact OE2-CE 3.45Å; E430-K432 IonicContact OE2-NZ 2.64Å; E430-K432 PolarHBondContact OE2-NZ 3.19Å; E430-E442 HydrophobicContact CB-CB 4.28Å; E430-E442 WeakPolarHBondContact CB-O 3.5Å; E430-E442 PolarHBondContact N-O 3.4Å; E430-E442 VanDerWaalsContact N-O 3.08Å; E430-E442 PolarHBondContact O-N 3.08Å; E430-Q444 PolarHBondContact OE2-NE2 2.93Å; E430-L715 HydrophobicContact CB-CD1 4.49Å; E430-L715 HydrophobicContact CG-CD1 3.99Å
431	P	93.4	Very high	93.9	Very high	34 Å²	34	52.7 Å²	52.7	22%	0.221	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	117.9	-177	-8	24.4	0	0	0	109.7	F369 V417 H429 M708	F369-P431 HydrophobicContact CD1-CB 3.65Å; F369-P431 HydrophobicContact CD2-CB 4Å; F369-P431 HydrophobicContact CE1-CB 3.58Å; F369-P431 HydrophobicContact CE2-CB 3.92Å; F369-P431 HydrophobicContact CG-CB 3.87Å; F369-P431 HydrophobicContact CZ-CB 3.71Å; V417-P431 HydrophobicContact CG1-CG 4.28Å; H429-P431 WeakPolarHBondContact O-CD 3.47Å; P431-M708 HydrophobicContact CB-SD 4.49Å; P431-M708 HydrophobicContact CG-CG 3.78Å; P431-M708 HydrophobicContact CG-SD 3.93Å
432	K	93.7	Very high	93.9	Very high	48 Å²	48	55.7 Å²	55.7	21%	0.209	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	160.3	180	-68.5	-168.4	-171.8	175.7	0	112.5	E430 K439 Y440 E442	E430-K432 VanDerWaalsContact CD-NZ 3.3Å; E430-K432 HydrophobicContact CG-CG 4.39Å; E430-K432 PolarHBondContact O-N 3.23Å; E430-K432 WeakPolarHBondContact OE1-CE 3.43Å; E430-K432 IonicContact OE1-NZ 2.77Å; E430-K432 PolarHBondContact OE1-NZ 3.29Å; E430-K432 WeakPolarHBondContact OE2-CE 3.45Å; E430-K432 IonicContact OE2-NZ 2.64Å; E430-K432 PolarHBondContact OE2-NZ 3.19Å; K432-K439 CarbonylContact O-C 3.56Å; K432-K439 WeakPolarHBondContact O-CA 3.24Å; K432-Y440 HydrophobicContact CB-CD1 3.97Å; K432-Y440 HydrophobicContact CB-CD2 4.46Å; K432-Y440 HydrophobicContact CB-CE1 3.43Å; K432-Y440 VanDerWaalsContact CB-CE1 3.43Å; K432-Y440 HydrophobicContact CB-CE2 3.98Å; K432-Y440 HydrophobicContact CB-CG 4.46Å; K432-Y440 VanDerWaalsContact CB-CZ 3.43Å; K432-Y440 HydrophobicContact CD-CE2 4.35Å; K432-Y440 WeakPolarHBondContact CD-OH 3.16Å; K432-Y440 PolarHBondContact N-O 3.16Å; K432-Y440 PolarHBondContact O-N 2.91Å; K432-Y440 VanDerWaalsContact O-O 3.05Å; K432-E442 HydrophobicContact CD-CB 4.04Å; K432-E442 WeakPolarHBondContact CD-OE2 3.28Å; K432-E442 WeakPolarHBondContact CE-OE2 3.37Å; K432-E442 IonicContact NZ-OE1 3.23Å; K432-E442 PolarHBondContact NZ-OE1 2.95Å; K432-E442 IonicContact NZ-OE2 3.49Å; K432-E442 PolarHBondContact NZ-OE2 3.41Å
433	T	92.6	Very high	94	Very high	75 Å²	75	56.2 Å²	56.2	46%	0.46	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.1	178.6	-56.3	0	0	0	0	107.6	L437	T433-L437 HydrophobicContact CG2-CD2 4.35Å
434	K	92.8	Very high	94.1	Very high	102 Å²	102	55.5 Å²	55.5	44%	0.443	29%	0.286	S	S	.	.			trans	-71.6	168.7	175.1	-66	-175.8	-166.3	168.9	0	111.2	D436 L437 T438 Y440	K434-D436 VanDerWaalsContact CB-OD1 3.23Å; K434-D436 WeakPolarHBondContact CB-OD1 3.44Å; K434-D436 PolarHBondContact O-N 3.48Å; K434-L437 WeakPolarHBondContact O-CA 3.28Å; K434-L437 PolarHBondContact O-N 3.42Å; K434-T438 PolarHBondContact N-O 2.91Å; K434-Y440 HydrophobicContact CG-CD1 3.74Å; K434-Y440 HydrophobicContact CG-CE1 3.7Å
435	V	93.6	Very high	94.1	Very high	156 Å²	156	60.3 Å²	60.3	95%	0.945	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-28	172.9	-173.6	0	0	0	0	112.3	L437	V435-L437 PolarHBondContact O-N 3.14Å
436	D	94	Very high	94.2	Very high	104 Å²	104	59.2 Å²	59.2	56%	0.556	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	10.1	174.5	64	25.5	0	0	0	114.3	K434 T438	K434-D436 VanDerWaalsContact CB-OD1 3.23Å; K434-D436 WeakPolarHBondContact CB-OD1 3.44Å; K434-D436 PolarHBondContact O-N 3.48Å; D436-T438 PolarHBondContact O-N 2.95Å; D436-T438 WeakPolarHBondContact OD1-CA 3.38Å; D436-T438 WeakPolarHBondContact OD1-CB 3.5Å; D436-T438 PolarHBondContact OD1-N 3.44Å; D436-T438 PolarHBondContact OD1-OG1 3.46Å
437	L	89.8	Confident	94.1	Very high	144 Å²	144	65.7 Å²	65.7	75%	0.754	33%	0.328	S	S	*	.			trans	64.8	5.7	-173.6	-53.9	179.2	0	0	0	116	T433 K434 V435 K439	T433-L437 HydrophobicContact CG2-CD2 4.35Å; K434-L437 WeakPolarHBondContact O-CA 3.28Å; K434-L437 PolarHBondContact O-N 3.42Å; V435-L437 PolarHBondContact O-N 3.14Å; L437-K439 PolarHBondContact O-N 2.97Å
438	T	90.9	Very high	94	Very high	68 Å²	68	65.4 Å²	65.4	42%	0.417	33%	0.327	S	S	.	.			trans	-66.5	117.7	172.1	-52.3	0	0	0	0	110.2	K434 D436	K434-T438 PolarHBondContact N-O 2.91Å; D436-T438 PolarHBondContact O-N 2.95Å; D436-T438 WeakPolarHBondContact OD1-CA 3.38Å; D436-T438 WeakPolarHBondContact OD1-CB 3.5Å; D436-T438 PolarHBondContact OD1-N 3.44Å; D436-T438 PolarHBondContact OD1-OG1 3.46Å
439	K	91.4	Very high	93.8	Very high	65 Å²	65	65.8 Å²	65.8	28%	0.283	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	142.1	170	-66.1	178.1	-170	165.7	0	110.8	E368 F369 M372 K432 L437	E368-K439 HydrophobicContact CB-CD 4.25Å; E368-K439 VanDerWaalsContact OE2-CD 3.3Å; E368-K439 WeakPolarHBondContact OE2-CD 3.44Å; E368-K439 VanDerWaalsContact OE2-CE 3.31Å; E368-K439 WeakPolarHBondContact OE2-CE 3.4Å; E368-K439 IonicContact OE2-NZ 2.76Å; E368-K439 PolarHBondContact OE2-NZ 3.17Å; F369-K439 HydrophobicContact CD1-CB 4.4Å; F369-K439 HydrophobicContact CD2-CD 4.31Å; F369-K439 HydrophobicContact CE1-CB 3.7Å; F369-K439 HydrophobicContact CE1-CD 4.18Å; F369-K439 HydrophobicContact CE1-CG 4.04Å; F369-K439 HydrophobicContact CE2-CD 3.81Å; F369-K439 HydrophobicContact CE2-CG 4.28Å; F369-K439 HydrophobicContact CZ-CB 3.92Å; F369-K439 HydrophobicContact CZ-CD 3.74Å; F369-K439 HydrophobicContact CZ-CG 3.7Å; M372-K439 HydrophobicContact CE-CB 4.06Å; K432-K439 CarbonylContact O-C 3.56Å; K432-K439 WeakPolarHBondContact O-CA 3.24Å; L437-K439 PolarHBondContact O-N 2.97Å
440	Y	92.9	Very high	93.8	Very high	77 Å²	77	66 Å²	66	30%	0.302	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	168	173.3	72.5	-79.1	0	0	0	110.5	K432 K434 E442	K432-Y440 HydrophobicContact CB-CD1 3.97Å; K432-Y440 HydrophobicContact CB-CD2 4.46Å; K432-Y440 HydrophobicContact CB-CE1 3.43Å; K432-Y440 VanDerWaalsContact CB-CE1 3.43Å; K432-Y440 HydrophobicContact CB-CE2 3.98Å; K432-Y440 HydrophobicContact CB-CG 4.46Å; K432-Y440 VanDerWaalsContact CB-CZ 3.43Å; K432-Y440 HydrophobicContact CD-CE2 4.35Å; K432-Y440 WeakPolarHBondContact CD-OH 3.16Å; K432-Y440 PolarHBondContact N-O 3.16Å; K432-Y440 PolarHBondContact O-N 2.91Å; K432-Y440 VanDerWaalsContact O-O 3.05Å; K434-Y440 HydrophobicContact CG-CD1 3.74Å; K434-Y440 HydrophobicContact CG-CE1 3.7Å; Y440-E442 HydrophobicContact CE2-CB 4.16Å
441	L	93.5	Very high	93.8	Very high	27 Å²	27	64.2 Å²	64.2	14%	0.141	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.2	171.5	-59.1	177.2	0	0	0	109.7	F369 M372 I373 H429	F369-L441 HydrophobicContact CD1-CD2 3.93Å; M372-L441 HydrophobicContact CB-CD1 3.62Å; M372-L441 HydrophobicContact CB-CG 3.93Å; M372-L441 HydrophobicContact CE-CD2 4.47Å; M372-L441 HydrophobicContact CE-CG 4.37Å; I373-L441 HydrophobicContact CB-CD1 4.47Å; I373-L441 HydrophobicContact CD1-CD2 4.41Å; I373-L441 HydrophobicContact CG1-CD1 3.64Å; I373-L441 HydrophobicContact CG1-CD2 4.04Å; H429-L441 HydrophobicContact CB-CD1 4.35Å; H429-L441 HydrophobicContact CB-CD2 4.37Å
442	E	95.2	Very high	94	Very high	70 Å²	70	62.6 Å²	62.6	33%	0.327	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	99.5	165.3	-165.3	172.3	117	0	0	108.7	E430 K432 Y440 Q444	E430-E442 HydrophobicContact CB-CB 4.28Å; E430-E442 WeakPolarHBondContact CB-O 3.5Å; E430-E442 PolarHBondContact N-O 3.4Å; E430-E442 VanDerWaalsContact N-O 3.08Å; E430-E442 PolarHBondContact O-N 3.08Å; K432-E442 HydrophobicContact CD-CB 4.04Å; K432-E442 WeakPolarHBondContact CD-OE2 3.28Å; K432-E442 WeakPolarHBondContact CE-OE2 3.37Å; K432-E442 IonicContact NZ-OE1 3.23Å; K432-E442 PolarHBondContact NZ-OE1 2.95Å; K432-E442 IonicContact NZ-OE2 3.49Å; K432-E442 PolarHBondContact NZ-OE2 3.41Å; Y440-E442 HydrophobicContact CE2-CB 4.16Å; E442-Q444 PolarHBondContact O-N 3.33Å; E442-Q444 VanDerWaalsContact O-N 3.1Å
443	N	94.2	Very high	94.1	Very high	57 Å²	57	61.1 Å²	61.1	31%	0.305	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	88.9	-174.7	-65	-40.2	0	0	0	110.4	Y376 V428 H429	Y376-N443 WeakPolarHBondContact CD2-ND2 3.21Å; Y376-N443 WeakPolarHBondContact CE2-ND2 3.2Å; V428-N443 WeakPolarHBondContact O-CA 3.13Å; H429-N443 PolarHBondContact ND1-OD1 2.91Å
444	Q	95.8	Very high	94.1	Very high	31 Å²	31	60.4 Å²	60.4	15%	0.145	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.9	174.1	-68.4	-177.6	60	0	0	109.9	L427 V428 E430 E442 F446 L715 R719	L427-Q444 WeakPolarHBondContact CA-O 3.31Å; V428-Q444 PolarHBondContact N-O 2.76Å; V428-Q444 PolarHBondContact O-N 3Å; E430-Q444 PolarHBondContact OE2-NE2 2.93Å; E442-Q444 PolarHBondContact O-N 3.33Å; E442-Q444 VanDerWaalsContact O-N 3.1Å; Q444-F446 HydrophobicContact CB-CE2 3.73Å; Q444-F446 HydrophobicContact CB-CZ 4.1Å; Q444-L715 HydrophobicContact CB-CD2 4.43Å; Q444-R719 VanDerWaalsContact CD-NH2 3.35Å; Q444-R719 VanDerWaalsContact NE2-NH2 3.11Å
445	Q	94.9	Very high	94.2	Very high	125 Å²	125	61.2 Å²	61.2	58%	0.584	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.7	178	-175.4	180	17.4	0	0	110.3	H425 L427	H425-Q445 PolarHBondContact CD2-NE2 3.44Å; H425-Q445 VanDerWaalsContact CD2-NE2 3.3Å; L427-Q445 HydrophobicContact CD1-CG 4Å; L427-Q445 HydrophobicContact CG-CB 4.32Å; L427-Q445 HydrophobicContact CG-CG 4.24Å
446	F	96	Very high	94.2	Very high	16 Å²	16	54.1 Å²	54.1	7%	0.07	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.6	177.7	-58.9	-89.5	0	0	0	110.2	H425 V426 V428 Q444 F448 L715 L718 R719 D722	H425-F446 WeakPolarHBondContact CA-O 3.49Å; V426-F446 PolarHBondContact N-O 3.37Å; V426-F446 PolarHBondContact O-N 3.14Å; V428-F446 HydrophobicContact CG2-CD2 4.19Å; V428-F446 HydrophobicContact CG2-CE2 3.81Å; Q444-F446 HydrophobicContact CB-CE2 3.73Å; Q444-F446 HydrophobicContact CB-CZ 4.1Å; F446-F448 HydrophobicContact CB-CD2 4.31Å; F446-F448 HydrophobicContact CB-CE2 3.35Å; F446-F448 HydrophobicContact CB-CZ 3.71Å; F446-F448 HydrophobicContact CG-CE2 4.32Å; F446-F448 HydrophobicContact CG-CZ 4.38Å; F446-L715 HydrophobicContact CE2-CD2 3.96Å; F446-L715 HydrophobicContact CZ-CD2 3.93Å; F446-L718 HydrophobicContact CD1-CB 4.21Å; F446-L718 HydrophobicContact CD2-CB 4.22Å; F446-L718 HydrophobicContact CD2-CD1 3.95Å; F446-L718 HydrophobicContact CE1-CB 4.16Å; F446-L718 HydrophobicContact CE2-CB 4.17Å; F446-L718 HydrophobicContact CE2-CD1 3.98Å; F446-L718 HydrophobicContact CG-CB 4.24Å; F446-L718 HydrophobicContact CZ-CB 4.14Å; F446-R719 HydrophobicContact CE1-CG 3.91Å; F446-R719 HydrophobicContact CZ-CG 4.13Å; F446-D722 HydrophobicContact CD1-CB 4.47Å
447	R	94.9	Very high	94.2	Very high	136 Å²	136	53.2 Å²	53.2	51%	0.513	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	101.2	-176	-172.6	-176.1	172.1	-155.8	-4.3	113.5	Q424 K725	Q424-R447 HydrophobicContact CB-CG 4.31Å; Q424-R447 CarbonylContact O-C 3.6Å; Q424-R447 VanDerWaalsContact O-CA 3.28Å; Q424-R447 WeakPolarHBondContact O-CA 3.49Å; R447-K725 VanDerWaalsContact O-CD 3.26Å; R447-K725 WeakPolarHBondContact O-CD 3.28Å; R447-K725 WeakPolarHBondContact O-CE 3.15Å; R447-K725 PolarHBondContact O-NZ 2.59Å
448	F	94.5	Very high	94.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.			trans	-94.6	-179.7	179.5	-60.2	-70.5	0	0	0	112.1	V398 V400 Q424 V426 F446 L718 A721 D722 K725	V398-F448 HydrophobicContact CG1-CD1 3.85Å; V398-F448 HydrophobicContact CG1-CE1 4.31Å; V400-F448 HydrophobicContact CB-CD2 4.03Å; V400-F448 HydrophobicContact CB-CE2 4.42Å; V400-F448 HydrophobicContact CB-CG 4.35Å; V400-F448 HydrophobicContact CG2-CB 4.47Å; V400-F448 HydrophobicContact CG2-CD1 3.89Å; V400-F448 HydrophobicContact CG2-CD2 3.37Å; V400-F448 HydrophobicContact CG2-CE1 3.98Å; V400-F448 HydrophobicContact CG2-CE2 3.46Å; V400-F448 VanDerWaalsContact CG2-CE2 3.46Å; V400-F448 HydrophobicContact CG2-CG 3.59Å; V400-F448 HydrophobicContact CG2-CZ 3.77Å; Q424-F448 PolarHBondContact O-N 2.85Å; V426-F448 HydrophobicContact CB-CD2 4.4Å; V426-F448 HydrophobicContact CB-CE2 4.29Å; V426-F448 HydrophobicContact CG2-CD2 3.89Å; V426-F448 HydrophobicContact CG2-CE2 4.2Å; F446-F448 HydrophobicContact CB-CD2 4.31Å; F446-F448 HydrophobicContact CB-CE2 3.35Å; F446-F448 HydrophobicContact CB-CZ 3.71Å; F446-F448 HydrophobicContact CG-CE2 4.32Å; F446-F448 HydrophobicContact CG-CZ 4.38Å; F448-L718 HydrophobicContact CE2-CD2 3.66Å; F448-L718 HydrophobicContact CZ-CB 4.44Å; F448-L718 HydrophobicContact CZ-CD2 3.77Å; F448-A721 HydrophobicContact CD1-CB 4.36Å; F448-A721 HydrophobicContact CE1-CB 3.6Å; F448-A721 HydrophobicContact CZ-CB 4.23Å; F448-D722 HydrophobicContact CE1-CB 4.46Å; F448-K725 PolarHBondContact O-NZ 3.31Å
449	D	93.6	Very high	94.6	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.043	24%	0.24	C	C	.	.	S	Bend	trans	-82.3	-43.9	178	-53.7	-32.1	0	0	0	109.5	V398 K725	V398-D449 PolarHBondContact N-OD2 3Å; V398-D449 PolarHBondContact O-N 2.86Å; D449-K725 WeakPolarHBondContact OD1-CD 3.18Å; D449-K725 WeakPolarHBondContact OD1-CE 3.47Å; D449-K725 IonicContact OD1-NZ 2.75Å; D449-K725 PolarHBondContact OD1-NZ 3.08Å
450	Y	95.5	Very high	94.7	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.6	167	-53.4	-83.3	0	0	0	111	L385 I391 E392 C399 V400 K423 Y464	L385-Y450 HydrophobicContact CD1-CD1 4.28Å; L385-Y450 HydrophobicContact CD2-CD1 4.14Å; I391-Y450 WeakPolarHBondContact CA-OH 3.25Å; E392-Y450 PolarHBondContact N-OH 3.05Å; C399-Y450 CarbonylContact C-O 3.51Å; C399-Y450 WeakPolarHBondContact CA-O 3.06Å; V400-Y450 PolarHBondContact N-O 3.28Å; K423-Y450 CarbonylContact O-C 3.58Å; K423-Y450 VanDerWaalsContact O-CA 3.29Å; K423-Y450 WeakPolarHBondContact O-CA 3.4Å; Y450-Y464 AromaticContact CD1-CD1 3.77Å; Y450-Y464 HydrophobicContact CD1-CD1 3.77Å; Y450-Y464 HydrophobicContact CD1-CG 4.05Å; Y450-Y464 AromaticContact CE1-CD1 3.36Å; Y450-Y464 HydrophobicContact CE1-CD1 3.36Å; Y450-Y464 HydrophobicContact CE1-CE1 4.06Å; Y450-Y464 HydrophobicContact CE1-CG 4.09Å; Y450-Y464 AromaticContact CZ-CD1 3.84Å
451	A	96.7	Very high	94.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	113.5	174.4	0	0	0	0	0	108.9	V420 K423 V426	V420-A451 HydrophobicContact CG1-CB 3.81Å; K423-A451 PolarHBondContact O-N 3.35Å; V426-A451 HydrophobicContact CG2-CB 3.76Å
452	F	97.2	Very high	95	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.3	177.5	-52	-78.2	0	0	0	109.9	L385 C399 V400 R401 K402 V461 Y464 T465	L385-F452 HydrophobicContact CD2-CD1 3.66Å; L385-F452 HydrophobicContact CD2-CE1 3.39Å; L385-F452 HydrophobicContact CD2-CZ 4.29Å; C399-F452 HydrophobicContact CB-CE2 3.84Å; V400-F452 WeakPolarHBondContact O-CD2 3.44Å; V400-F452 PolarHBondContact O-N 3.38Å; R401-F452 HydrophobicContact CB-CB 4.23Å; R401-F452 HydrophobicContact CB-CD2 4.24Å; R401-F452 HydrophobicContact CG-CB 4.06Å; K402-F452 PolarHBondContact N-O 3.15Å; F452-V461 HydrophobicContact CB-CG2 4.21Å; F452-V461 HydrophobicContact CD1-CG2 3.78Å; F452-V461 HydrophobicContact CD2-CG1 4.4Å; F452-V461 HydrophobicContact CD2-CG2 3.9Å; F452-V461 HydrophobicContact CE1-CB 4.37Å; F452-V461 HydrophobicContact CE1-CG2 4.06Å; F452-V461 HydrophobicContact CE2-CB 4.39Å; F452-V461 HydrophobicContact CE2-CG1 4.05Å; F452-V461 HydrophobicContact CE2-CG2 4.16Å; F452-V461 HydrophobicContact CG-CG2 3.71Å; F452-V461 HydrophobicContact CZ-CB 4.29Å; F452-V461 HydrophobicContact CZ-CG1 4.3Å; F452-V461 HydrophobicContact CZ-CG2 4.25Å; F452-Y464 HydrophobicContact CE1-CD2 4.44Å; F452-T465 HydrophobicContact CE2-CG2 3.85Å; F452-T465 HydrophobicContact CZ-CG2 3.96Å
453	D	95.5	Very high	95	Very high	17 Å²	17	43.7 Å²	43.7	9%	0.091	21%	0.211	C	C	.	.			trans	-83.6	-176.8	175.9	60.3	35.1	0	0	0	112.3	P384 K402 V420 T455 S456	P384-D453 WeakPolarHBondContact CB-OD2 3.42Å; K402-D453 CarbonylContact O-C 3.56Å; K402-D453 VanDerWaalsContact O-O 3.08Å; V420-D453 HydrophobicContact CB-CB 4.18Å; V420-D453 HydrophobicContact CG1-CB 4.45Å; D453-T455 PolarHBondContact O-N 2.83Å; D453-T455 WeakPolarHBondContact OD1-CA 3.29Å; D453-T455 WeakPolarHBondContact OD1-CB 3.38Å; D453-T455 PolarHBondContact OD1-N 3.48Å; D453-T455 PolarHBondContact OD1-OG1 3Å; D453-S456 PolarHBondContact N-OG 3.27Å; D453-S456 WeakPolarHBondContact O-CB 3.08Å; D453-S456 PolarHBondContact O-N 2.81Å; D453-S456 PolarHBondContact O-OG 3.07Å; D453-S456 PolarHBondContact OD1-N 3.32Å; D453-S456 PolarHBondContact OD1-OG 3.39Å
454	D	94.1	Very high	95	Very high	60 Å²	60	41 Å²	41	32%	0.321	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.2	177.8	42.6	-0.9	0	0	0	114.7	K402 P404	K402-D454 HydrophobicContact CD-CB 3.97Å; K402-D454 WeakPolarHBondContact CE-OD2 3.31Å; K402-D454 HydrophobicContact CG-CB 4.23Å; K402-D454 IonicContact NZ-OD1 3.12Å; K402-D454 IonicContact NZ-OD2 3.33Å; K402-D454 PolarHBondContact NZ-OD2 3.39Å; P404-D454 HydrophobicContact CB-CB 4.1Å
455	T	93.9	Very high	95	Very high	119 Å²	119	39.7 Å²	39.7	73%	0.73	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-16.2	170.2	76.5	0	0	0	0	112.6	D453 D457	D453-T455 PolarHBondContact O-N 2.83Å; D453-T455 WeakPolarHBondContact OD1-CA 3.29Å; D453-T455 WeakPolarHBondContact OD1-CB 3.38Å; D453-T455 PolarHBondContact OD1-N 3.48Å; D453-T455 PolarHBondContact OD1-OG1 3Å; T455-D457 PolarHBondContact O-N 3.17Å
456	S	93.9	Very high	95	Very high	8 Å²	8	33.8 Å²	33.8	6%	0.056	16%	0.163	C	C	.	.			trans	-72.2	114.1	-172.8	-61.4	0	0	0	0	112.4	R401 D453	R401-S456 PolarHBondContact NH2-O 2.99Å; D453-S456 PolarHBondContact N-OG 3.27Å; D453-S456 WeakPolarHBondContact O-CB 3.08Å; D453-S456 PolarHBondContact O-N 2.81Å; D453-S456 PolarHBondContact O-OG 3.07Å; D453-S456 PolarHBondContact OD1-N 3.32Å; D453-S456 PolarHBondContact OD1-OG 3.39Å
457	D	93.5	Very high	95	Very high	84 Å²	84	37 Å²	37	45%	0.449	18%	0.177	S	C	.	.			trans	-72.4	179.2	178.5	67.4	49.2	0	0	0	113.9	R401 T455 E459 L460 V461	R401-D457 PolarHBondContact NH2-O 3.3Å; T455-D457 PolarHBondContact O-N 3.17Å; D457-E459 WeakPolarHBondContact OD1-CA 3.47Å; D457-E459 WeakPolarHBondContact OD1-CB 3.49Å; D457-E459 PolarHBondContact OD1-N 2.97Å; D457-L460 PolarHBondContact OD1-N 3.4Å; D457-V461 WeakPolarHBondContact O-CG2 3.39Å; D457-V461 PolarHBondContact O-N 3.37Å
458	N	94.6	Very high	94.9	Very high	11 Å²	11	32.2 Å²	32.2	6%	0.059	16%	0.163	C	C	.	.	H	α-helix	trans	-72.2	-25.7	179.7	-78.6	8.3	0	0	0	113.7	R401 Y462 H493 N509	R401-N458 PolarHBondContact NH1-OD1 3.38Å; R401-N458 PolarHBondContact NH2-OD1 3.38Å; N458-Y462 WeakPolarHBondContact O-CB 3.21Å; N458-Y462 PolarHBondContact O-N 3.41Å; N458-H493 PolarHBondContact ND2-O 3.08Å; N458-H493 PolarHBondContact OD1-ND1 3.26Å; N458-N509 WeakPolarHBondContact CB-O 3.29Å; N458-N509 PolarHBondContact ND2-O 2.94Å
459	E	94.3	Very high	94.9	Very high	127 Å²	127	32.6 Å²	32.6	59%	0.593	17%	0.165	S	C	*	.	H	α-helix	trans	-78.3	-43.5	-178.3	-169.2	-177.3	150.6	0	0	111.2	D457 V461 Y462 R463	D457-E459 WeakPolarHBondContact OD1-CA 3.47Å; D457-E459 WeakPolarHBondContact OD1-CB 3.49Å; D457-E459 PolarHBondContact OD1-N 2.97Å; E459-V461 VanDerWaalsContact C-N 3.31Å; E459-V461 PolarHBondContact O-N 2.9Å; E459-Y462 WeakPolarHBondContact O-CB 3.28Å; E459-Y462 PolarHBondContact O-N 3.38Å; E459-R463 WeakPolarHBondContact O-CB 3.41Å; E459-R463 PolarHBondContact O-N 3.29Å
460	L	94.8	Very high	94.9	Very high	14 Å²	14	32.2 Å²	32.2	7%	0.073	16%	0.164	C	C	.	.	H	α-helix	trans	-59.4	-43.2	171.4	-177.5	66.8	0	0	0	110.8	D457 R463 Y464	D457-L460 PolarHBondContact OD1-N 3.4Å; L460-R463 PolarHBondContact O-N 3.05Å; L460-Y464 HydrophobicContact CD1-CD2 4.1Å; L460-Y464 HydrophobicContact CD1-CE2 3.78Å; L460-Y464 WeakPolarHBondContact O-CD2 3.23Å
461	V	96.2	Very high	94.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-48.3	174.4	173.6	0	0	0	0	110.8	R401 F452 D457 E459 R463 Y464 T465 T494 I511 I701	R401-V461 HydrophobicContact CG-CG2 4.36Å; F452-V461 HydrophobicContact CB-CG2 4.21Å; F452-V461 HydrophobicContact CD1-CG2 3.78Å; F452-V461 HydrophobicContact CD2-CG1 4.4Å; F452-V461 HydrophobicContact CD2-CG2 3.9Å; F452-V461 HydrophobicContact CE1-CB 4.37Å; F452-V461 HydrophobicContact CE1-CG2 4.06Å; F452-V461 HydrophobicContact CE2-CB 4.39Å; F452-V461 HydrophobicContact CE2-CG1 4.05Å; F452-V461 HydrophobicContact CE2-CG2 4.16Å; F452-V461 HydrophobicContact CG-CG2 3.71Å; F452-V461 HydrophobicContact CZ-CB 4.29Å; F452-V461 HydrophobicContact CZ-CG1 4.3Å; F452-V461 HydrophobicContact CZ-CG2 4.25Å; D457-V461 WeakPolarHBondContact O-CG2 3.39Å; D457-V461 PolarHBondContact O-N 3.37Å; E459-V461 VanDerWaalsContact C-N 3.31Å; E459-V461 PolarHBondContact O-N 2.9Å; V461-R463 VanDerWaalsContact C-N 3.34Å; V461-R463 PolarHBondContact O-N 2.92Å; V461-Y464 PolarHBondContact O-N 2.94Å; V461-T465 HydrophobicContact CG1-CG2 4.19Å; V461-T465 WeakPolarHBondContact O-CB 3.42Å; V461-T465 VanDerWaalsContact O-CG2 3.29Å; V461-T465 WeakPolarHBondContact O-CG2 3.46Å; V461-T465 PolarHBondContact O-N 2.95Å; V461-T465 VanDerWaalsContact O-N 3.14Å; V461-T465 PolarHBondContact O-OG1 3.19Å; V461-T494 HydrophobicContact CG1-CG2 3.92Å; V461-I511 HydrophobicContact CG1-CD1 4.37Å; V461-I701 HydrophobicContact CG1-CD1 4.28Å
462	Y	96.4	Very high	94.5	Very high	7 Å²	7	37.2 Å²	37.2	3%	0.027	19%	0.188	C	C	.	.	H	α-helix	trans	-56.5	-44.3	177.8	171	-107.4	0	0	0	112.8	N458 E459 Y464 T465 A466 K467 I511 L514 A515 D518	N458-Y462 WeakPolarHBondContact O-CB 3.21Å; N458-Y462 PolarHBondContact O-N 3.41Å; E459-Y462 WeakPolarHBondContact O-CB 3.28Å; E459-Y462 PolarHBondContact O-N 3.38Å; Y462-Y464 VanDerWaalsContact C-N 3.34Å; Y462-Y464 PolarHBondContact O-N 3.2Å; Y462-T465 PolarHBondContact O-N 3.22Å; Y462-A466 HydrophobicContact CD2-CB 3.75Å; Y462-A466 HydrophobicContact CE2-CB 3.77Å; Y462-A466 PolarHBondContact O-N 2.87Å; Y462-A466 VanDerWaalsContact O-N 3.09Å; Y462-K467 HydrophobicContact CD1-CB 4.21Å; Y462-K467 HydrophobicContact CE1-CB 3.71Å; Y462-K467 HydrophobicContact CE1-CD 4.06Å; Y462-K467 HydrophobicContact CE1-CG 3.92Å; Y462-K467 HydrophobicContact CE2-CB 4.29Å; Y462-K467 WeakPolarHBondContact O-CB 3.32Å; Y462-K467 PolarHBondContact O-N 2.92Å; Y462-I511 HydrophobicContact CD2-CG1 4.19Å; Y462-I511 HydrophobicContact CD2-CG2 4.22Å; Y462-L514 HydrophobicContact CD1-CB 3.76Å; Y462-L514 HydrophobicContact CD1-CD1 4.11Å; Y462-L514 HydrophobicContact CD1-CG 4.48Å; Y462-L514 HydrophobicContact CD2-CB 3.84Å; Y462-L514 HydrophobicContact CE1-CB 3.9Å; Y462-L514 HydrophobicContact CE2-CB 4.01Å; Y462-L514 HydrophobicContact CG-CB 3.74Å; Y462-L514 HydrophobicContact CG-CD1 3.84Å; Y462-L514 HydrophobicContact CG-CG 4.45Å; Y462-L514 PolarHBondContact OH-O 3.43Å; Y462-A515 HydrophobicContact CE2-CB 3.97Å; Y462-A515 WeakPolarHBondContact OH-CA 3.27Å; Y462-D518 WeakPolarHBondContact CE1-OD2 3.46Å; Y462-D518 VanDerWaalsContact CZ-OD2 3.28Å; Y462-D518 WeakPolarHBondContact OH-CB 3.47Å; Y462-D518 PolarHBondContact OH-OD2 3.44Å
463	R	95	Very high	94.4	Very high	92 Å²	92	37.2 Å²	37.2	35%	0.347	19%	0.188	S	C	.	.	H	α-helix	trans	-55	-41.6	-179.3	179.1	-178.2	-174.8	119.2	10.6	113.7	N387 E459 L460 V461	N387-R463 PolarHBondContact O-NE 3.44Å; N387-R463 PolarHBondContact O-NH2 3.01Å; N387-R463 WeakPolarHBondContact OD1-CD 3.46Å; N387-R463 PolarHBondContact OD1-NE 2.85Å; N387-R463 PolarHBondContact OD1-NH1 3.28Å; E459-R463 WeakPolarHBondContact O-CB 3.41Å; E459-R463 PolarHBondContact O-N 3.29Å; L460-R463 PolarHBondContact O-N 3.05Å; V461-R463 VanDerWaalsContact C-N 3.34Å; V461-R463 PolarHBondContact O-N 2.92Å
464	Y	94.7	Very high	94.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-97.8	-7	-177.3	-69.5	-79.8	0	0	0	113.9	L385 T386 N387 D389 I391 Y450 F452 L460 V461 Y462	L385-Y464 HydrophobicContact CD1-CD2 4.44Å; L385-Y464 HydrophobicContact CD1-CE1 4.37Å; L385-Y464 HydrophobicContact CD1-CE2 4.17Å; L385-Y464 HydrophobicContact CD2-CD2 3.84Å; L385-Y464 HydrophobicContact CD2-CE2 4.26Å; L385-Y464 HydrophobicContact CD2-CG 4.17Å; L385-Y464 HydrophobicContact CG-CD2 4.33Å; L385-Y464 HydrophobicContact CG-CE2 4.25Å; T386-Y464 PolarHBondContact O-OH 3.35Å; N387-Y464 PolarHBondContact O-OH 2.61Å; D389-Y464 HydrophobicContact CB-CE1 4.28Å; D389-Y464 PolarHBondContact N-OH 3.31Å; D389-Y464 WeakPolarHBondContact O-CE1 3.27Å; D389-Y464 PolarHBondContact O-OH 2.64Å; I391-Y464 HydrophobicContact CD1-CE1 4.44Å; I391-Y464 HydrophobicContact CG1-CD1 3.77Å; I391-Y464 HydrophobicContact CG1-CE1 3.55Å; Y450-Y464 AromaticContact CD1-CD1 3.77Å; Y450-Y464 HydrophobicContact CD1-CD1 3.77Å; Y450-Y464 HydrophobicContact CD1-CG 4.05Å; Y450-Y464 AromaticContact CE1-CD1 3.36Å; Y450-Y464 HydrophobicContact CE1-CD1 3.36Å; Y450-Y464 HydrophobicContact CE1-CE1 4.06Å; Y450-Y464 HydrophobicContact CE1-CG 4.09Å; Y450-Y464 AromaticContact CZ-CD1 3.84Å; F452-Y464 HydrophobicContact CE1-CD2 4.44Å; L460-Y464 HydrophobicContact CD1-CD2 4.1Å; L460-Y464 HydrophobicContact CD1-CE2 3.78Å; L460-Y464 WeakPolarHBondContact O-CD2 3.23Å; V461-Y464 PolarHBondContact O-N 2.94Å; Y462-Y464 VanDerWaalsContact C-N 3.34Å; Y462-Y464 PolarHBondContact O-N 3.2Å
465	T	95.2	Very high	94.2	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-110.7	-69.4	-177.5	56.4	0	0	0	0	113.2	C399 F452 V461 Y462 I701	C399-T465 HydrophobicContact CB-CG2 4.03Å; F452-T465 HydrophobicContact CE2-CG2 3.85Å; F452-T465 HydrophobicContact CZ-CG2 3.96Å; V461-T465 HydrophobicContact CG1-CG2 4.19Å; V461-T465 WeakPolarHBondContact O-CB 3.42Å; V461-T465 VanDerWaalsContact O-CG2 3.29Å; V461-T465 WeakPolarHBondContact O-CG2 3.46Å; V461-T465 PolarHBondContact O-N 2.95Å; V461-T465 VanDerWaalsContact O-N 3.14Å; V461-T465 PolarHBondContact O-OG1 3.19Å; Y462-T465 PolarHBondContact O-N 3.22Å; T465-I701 HydrophobicContact CG2-CD1 3.75Å; T465-I701 HydrophobicContact CG2-CG1 3.79Å
466	A	94.9	Very high	94.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-30.8	-169.6	0	0	0	0	0	112.9	Y462 L469 V470 C481 I511 F627	Y462-A466 HydrophobicContact CD2-CB 3.75Å; Y462-A466 HydrophobicContact CE2-CB 3.77Å; Y462-A466 PolarHBondContact O-N 2.87Å; Y462-A466 VanDerWaalsContact O-N 3.09Å; A466-L469 WeakPolarHBondContact O-CB 3.38Å; A466-L469 PolarHBondContact O-N 3.45Å; A466-V470 PolarHBondContact O-N 3.09Å; A466-C481 HydrophobicContact CB-CB 4.44Å; A466-I511 HydrophobicContact CB-CG2 3.8Å; A466-F627 HydrophobicContact CB-CZ 3.96Å
467	K	94.8	Very high	93.9	Very high	85 Å²	85	37.9 Å²	37.9	37%	0.37	17%	0.174	S	C	.	.	H	α-helix	trans	-55.5	-45.3	179.6	-167.6	176.9	-175.2	87.1	0	113.4	Y462 L469 V470 D518	Y462-K467 HydrophobicContact CD1-CB 4.21Å; Y462-K467 HydrophobicContact CE1-CB 3.71Å; Y462-K467 HydrophobicContact CE1-CD 4.06Å; Y462-K467 HydrophobicContact CE1-CG 3.92Å; Y462-K467 HydrophobicContact CE2-CB 4.29Å; Y462-K467 WeakPolarHBondContact O-CB 3.32Å; Y462-K467 PolarHBondContact O-N 2.92Å; K467-L469 PolarHBondContact O-N 3.01Å; K467-V470 WeakPolarHBondContact O-CB 3.41Å; K467-V470 PolarHBondContact O-N 3.48Å; K467-V470 VanDerWaalsContact O-N 3.12Å; K467-D518 WeakPolarHBondContact CG-OD2 3.45Å; K467-D518 IonicContact NZ-OD1 3.15Å; K467-D518 PolarHBondContact NZ-OD1 2.79Å; K467-D518 IonicContact NZ-OD2 3.57Å; K467-D518 PolarHBondContact NZ-OD2 2.69Å
468	P	93.5	Very high	93.7	Very high	34 Å²	34	35.9 Å²	35.9	22%	0.221	16%	0.163	C	C	.	.	H	α-helix	trans	-67.3	-18.1	178.5	-19.7	34.5	0	0	0	113.7	I391	I391-P468 HydrophobicContact CD1-CG 4.48Å; I391-P468 HydrophobicContact CG2-CB 4.42Å; I391-P468 HydrophobicContact CG2-CG 3.84Å
469	L	94.1	Very high	93.7	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-81.6	-18.2	176.8	-53.8	-179.4	0	0	0	112.7	A466 K467 C472 A479 T480 C481 F627 R697 C699	A466-L469 WeakPolarHBondContact O-CB 3.38Å; A466-L469 PolarHBondContact O-N 3.45Å; K467-L469 PolarHBondContact O-N 3.01Å; L469-C472 VanDerWaalsContact O-CB 3.29Å; L469-C472 WeakPolarHBondContact O-CB 3.5Å; L469-C472 PolarHBondContact O-N 2.86Å; L469-A479 HydrophobicContact CB-CB 3.85Å; L469-T480 WeakPolarHBondContact CD1-O 3.34Å; L469-C481 HydrophobicContact CD1-CB 4.16Å; L469-F627 HydrophobicContact CB-CE1 4.44Å; L469-F627 HydrophobicContact CB-CE2 4Å; L469-F627 HydrophobicContact CB-CZ 3.73Å; L469-F627 HydrophobicContact CD1-CE2 3.91Å; L469-F627 HydrophobicContact CD1-CZ 4.13Å; L469-R697 HydrophobicContact CD2-CB 3.59Å; L469-C699 HydrophobicContact CD1-CB 3.79Å
470	V	95.2	Very high	93.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-64	-41.3	178.1	-177.1	0	0	0	0	110.8	A466 K467 C472 I473 F474 D518 V519 L522 F627	A466-V470 PolarHBondContact O-N 3.09Å; K467-V470 WeakPolarHBondContact O-CB 3.41Å; K467-V470 PolarHBondContact O-N 3.48Å; K467-V470 VanDerWaalsContact O-N 3.12Å; V470-C472 VanDerWaalsContact C-N 3.25Å; V470-C472 PolarHBondContact O-N 2.71Å; V470-I473 WeakPolarHBondContact O-CG1 3.3Å; V470-I473 PolarHBondContact O-N 2.95Å; V470-F474 HydrophobicContact CG1-CD2 4.33Å; V470-F474 HydrophobicContact CG1-CE2 4Å; V470-F474 WeakPolarHBondContact O-CD2 3.21Å; V470-D518 HydrophobicContact CG1-CB 4.33Å; V470-D518 HydrophobicContact CG2-CB 4.35Å; V470-V519 HydrophobicContact CG1-CG2 3.66Å; V470-L522 HydrophobicContact CB-CD1 4.39Å; V470-L522 HydrophobicContact CG1-CD1 3.62Å; V470-F627 HydrophobicContact CG2-CD1 4.45Å; V470-F627 HydrophobicContact CG2-CE1 3.84Å
471	E	92.3	Very high	93.6	Very high	104 Å²	104	28.6 Å²	28.6	49%	0.486	13%	0.128	S	C	.	.	H	α-helix	trans	-62.7	-34.2	176.1	-65.7	-171.9	-165.4	0	0	112.3	I473 F474 Q475	E471-I473 VanDerWaalsContact C-N 3.33Å; E471-I473 PolarHBondContact O-N 2.89Å; E471-F474 PolarHBondContact O-N 2.86Å; E471-Q475 VanDerWaalsContact O-CG 3.31Å; E471-Q475 WeakPolarHBondContact O-CG 3.21Å; E471-Q475 PolarHBondContact O-N 3.49Å
472	C	91.4	Very high	93.4	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.041	13%	0.128	C	C	.	.	H	α-helix	trans	-60.1	-39.5	-179.5	-170.8	0	0	0	0	112.4	L469 V470 Q475 R476 G477	L469-C472 VanDerWaalsContact O-CB 3.29Å; L469-C472 WeakPolarHBondContact O-CB 3.5Å; L469-C472 PolarHBondContact O-N 2.86Å; V470-C472 VanDerWaalsContact C-N 3.25Å; V470-C472 PolarHBondContact O-N 2.71Å; C472-Q475 CarbonylContact O-C 3.59Å; C472-Q475 PolarHBondContact O-N 2.93Å; C472-R476 PolarHBondContact O-N 2.92Å; C472-G477 VanDerWaalsContact O-CA 3.29Å; C472-G477 WeakPolarHBondContact O-CA 3.35Å; C472-G477 PolarHBondContact O-N 2.81Å
473	I	94.2	Very high	93.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-71.2	-32.2	178.5	62.7	163.7	0	0	0	112.7	V470 E471 R476 A479 V519 L615 H624 K626 F627	V470-I473 WeakPolarHBondContact O-CG1 3.3Å; V470-I473 PolarHBondContact O-N 2.95Å; E471-I473 VanDerWaalsContact C-N 3.33Å; E471-I473 PolarHBondContact O-N 2.89Å; I473-R476 PolarHBondContact O-N 3.33Å; I473-A479 HydrophobicContact CG2-CB 3.61Å; I473-V519 HydrophobicContact CD1-CG2 3.97Å; I473-L615 HydrophobicContact CB-CD1 4.23Å; I473-L615 HydrophobicContact CD1-CD1 3.76Å; I473-L615 HydrophobicContact CD1-CG 3.99Å; I473-L615 HydrophobicContact CG1-CD1 3.88Å; I473-H624 PolarHBondContact O-CD2 2.95Å; I473-K626 WeakPolarHBondContact CG2-O 3.41Å; I473-F627 HydrophobicContact CD1-CB 4.11Å; I473-F627 HydrophobicContact CG2-CB 4.03Å
474	F	93.8	Very high	93.4	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.013	11%	0.111	C	C	.	.	H	α-helix	trans	-71.7	-31.6	172.3	-73.4	-76.8	0	0	0	112.2	V470 E471 R476 V519 L522 N523 Y527 L532 L615 H624	V470-F474 HydrophobicContact CG1-CD2 4.33Å; V470-F474 HydrophobicContact CG1-CE2 4Å; V470-F474 WeakPolarHBondContact O-CD2 3.21Å; E471-F474 PolarHBondContact O-N 2.86Å; F474-R476 PolarHBondContact O-N 3.29Å; F474-R476 VanDerWaalsContact O-N 3.07Å; F474-V519 HydrophobicContact CZ-CG1 4.23Å; F474-V519 WeakPolarHBondContact CZ-O 3.28Å; F474-L522 HydrophobicContact CD2-CB 4.09Å; F474-L522 HydrophobicContact CD2-CD1 4.33Å; F474-L522 HydrophobicContact CE2-CB 3.58Å; F474-L522 HydrophobicContact CE2-CD1 4.22Å; F474-L522 HydrophobicContact CZ-CB 3.92Å; F474-N523 HydrophobicContact CE1-CB 3.93Å; F474-N523 HydrophobicContact CZ-CB 3.95Å; F474-Y527 HydrophobicContact CB-CD1 4.06Å; F474-Y527 HydrophobicContact CB-CD2 3.68Å; F474-Y527 HydrophobicContact CB-CE1 3.86Å; F474-Y527 HydrophobicContact CB-CE2 3.47Å; F474-Y527 VanDerWaalsContact CB-CE2 3.47Å; F474-Y527 HydrophobicContact CB-CG 3.97Å; F474-Y527 HydrophobicContact CD1-CD1 4.22Å; F474-Y527 AromaticContact CD1-CD2 3.46Å; F474-Y527 HydrophobicContact CD1-CD2 3.46Å; F474-Y527 VanDerWaalsContact CD1-CD2 3.46Å; F474-Y527 HydrophobicContact CD1-CE2 4.17Å; F474-Y527 AromaticContact CD1-CG 3.5Å; F474-Y527 HydrophobicContact CD1-CG 3.5Å; F474-Y527 VanDerWaalsContact CD1-CG 3.5Å; F474-Y527 HydrophobicContact CD2-CD2 4.11Å; F474-Y527 HydrophobicContact CD2-CE2 4.21Å; F474-Y527 HydrophobicContact CE1-CD2 4.11Å; F474-Y527 HydrophobicContact CE1-CG 4.23Å; F474-Y527 HydrophobicContact CG-CD1 4.46Å; F474-Y527 AromaticContact CG-CD2 3.47Å; F474-Y527 HydrophobicContact CG-CD2 3.47Å; F474-Y527 VanDerWaalsContact CG-CD2 3.47Å; F474-Y527 AromaticContact CG-CE2 3.7Å; F474-Y527 HydrophobicContact CG-CE2 3.7Å; F474-Y527 AromaticContact CG-CG 3.9Å; F474-Y527 HydrophobicContact CG-CG 3.9Å; F474-L532 HydrophobicContact CD1-CD1 4.01Å; F474-L532 HydrophobicContact CE1-CD1 4.14Å; F474-L615 HydrophobicContact CD1-CD1 3.67Å; F474-L615 HydrophobicContact CD2-CD1 4.33Å; F474-L615 HydrophobicContact CE1-CD1 3.64Å; F474-L615 HydrophobicContact CE1-CD2 4.31Å; F474-L615 HydrophobicContact CE2-CD1 4.29Å; F474-L615 HydrophobicContact CG-CD1 4.02Å; F474-L615 HydrophobicContact CZ-CD1 3.96Å; F474-L615 HydrophobicContact CZ-CD2 4.32Å; F474-H624 PolarHBondContact O-NE2 3.48Å
475	Q	91.1	Very high	93.3	Very high	99 Å²	99	24.1 Å²	24.1	46%	0.463	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	14	170.4	-65	171.7	18.1	0	0	113.7	E471 C472 G477	E471-Q475 VanDerWaalsContact O-CG 3.31Å; E471-Q475 WeakPolarHBondContact O-CG 3.21Å; E471-Q475 PolarHBondContact O-N 3.49Å; C472-Q475 CarbonylContact O-C 3.59Å; C472-Q475 PolarHBondContact O-N 2.93Å; Q475-G477 VanDerWaalsContact C-N 3.33Å
476	R	91.3	Very high	93	Very high	115 Å²	115	24.7 Å²	24.7	43%	0.434	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	32.1	179.9	-54	171.7	-170.7	-170.7	1.5	113.7	C472 I473 F474 E530 H624 R695	C472-R476 PolarHBondContact O-N 2.92Å; I473-R476 PolarHBondContact O-N 3.33Å; F474-R476 PolarHBondContact O-N 3.29Å; F474-R476 VanDerWaalsContact O-N 3.07Å; R476-E530 IonicContact CZ-OE1 3.23Å; R476-E530 IonicContact NE-OE1 2.68Å; R476-E530 PolarHBondContact NE-OE1 2.93Å; R476-E530 IonicContact NH2-OE1 2.69Å; R476-E530 PolarHBondContact NH2-OE1 3.35Å; R476-E530 IonicContact NH2-OE2 2.86Å; R476-E530 PolarHBondContact NH2-OE2 3.21Å; R476-H624 WeakPolarHBondContact CA-O 3.45Å; R476-H624 WeakPolarHBondContact CG-CE1 3.49Å; R476-H624 WeakPolarHBondContact CG-NE2 3.49Å; R476-H624 PolarHBondContact NE-CE1 3.4Å; R476-R695 VanDerWaalsContact CB-NH2 3.28Å; R476-R695 VanDerWaalsContact O-CZ 3.26Å; R476-R695 PolarHBondContact O-NE 3.25Å; R476-R695 VanDerWaalsContact O-NE 3.14Å; R476-R695 PolarHBondContact O-NH2 3.48Å
477	G	89.5	Confident	92.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.01	12%	0.116	C	C	.	.			trans	-99	-177	173.9	0	0	0	0	0	113.9	C472 Q475 G625 R695	C472-G477 VanDerWaalsContact O-CA 3.29Å; C472-G477 WeakPolarHBondContact O-CA 3.35Å; C472-G477 PolarHBondContact O-N 2.81Å; Q475-G477 VanDerWaalsContact C-N 3.33Å; G477-G625 VanDerWaalsContact O-CA 3.31Å; G477-G625 WeakPolarHBondContact O-CA 3.41Å; G477-R695 CarbonylContact C-O 3.49Å; G477-R695 WeakPolarHBondContact CA-O 3.48Å
478	M	91	Very high	92.3	Very high	41 Å²	41	22 Å²	22	20%	0.202	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.4	179.5	-55.9	-66.9	-94.8	0	0	108.7	K626 D689 R695 S696 R697	M478-K626 HydrophobicContact CE-CB 3.93Å; M478-K626 HydrophobicContact CE-CD 4.43Å; M478-K626 HydrophobicContact SD-CB 3.83Å; M478-D689 HydrophobicContact CE-CB 3.86Å; M478-R695 PolarHBondContact N-O 2.78Å; M478-S696 CarbonylContact O-C 3.26Å; M478-S696 WeakPolarHBondContact O-CA 3.47Å; M478-R697 PolarHBondContact O-N 2.97Å
479	A	93	Very high	92.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.8	179.8	0	0	0	0	0	110.6	L469 I473 K626 F627 S628 R697	L469-A479 HydrophobicContact CB-CB 3.85Å; I473-A479 HydrophobicContact CG2-CB 3.61Å; A479-K626 PolarHBondContact N-O 2.84Å; A479-F627 HydrophobicContact CB-CB 4.21Å; A479-F627 HydrophobicContact CB-CD2 3.33Å; A479-F627 HydrophobicContact CB-CE2 3.69Å; A479-F627 HydrophobicContact CB-CG 3.81Å; A479-F627 HydrophobicContact CB-CZ 4.44Å; A479-F627 WeakPolarHBondContact O-CA 3.14Å; A479-S628 PolarHBondContact O-N 3.44Å; A479-R697 WeakPolarHBondContact CA-O 3.33Å
480	T	93	Very high	92	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.8	166.7	-69.6	0	0	0	0	110.7	L469 F482 S628 I630 L687 S690 R697 T698 C699	L469-T480 WeakPolarHBondContact CD1-O 3.34Å; T480-F482 HydrophobicContact CG2-CD1 4.24Å; T480-S628 CarbonylContact C-O 3.57Å; T480-S628 VanDerWaalsContact CA-O 3.27Å; T480-S628 WeakPolarHBondContact CA-O 3.42Å; T480-I630 HydrophobicContact CG2-CD1 4.18Å; T480-L687 HydrophobicContact CG2-CD2 3.84Å; T480-S690 WeakPolarHBondContact OG1-CB 3.47Å; T480-S690 PolarHBondContact OG1-OG 2.89Å; T480-R697 PolarHBondContact N-O 3.23Å; T480-T698 CarbonylContact O-C 3.51Å; T480-T698 VanDerWaalsContact O-CA 3.29Å; T480-T698 WeakPolarHBondContact O-CA 3.23Å; T480-C699 PolarHBondContact O-N 3.19Å
481	C	94.6	Very high	92	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.5	168.1	-174.1	0	0	0	0	108.9	A466 L469 F627 S628 L629 I630 C699	A466-C481 HydrophobicContact CB-CB 4.44Å; L469-C481 HydrophobicContact CD1-CB 4.16Å; C481-F627 HydrophobicContact CB-CE2 4.13Å; C481-S628 PolarHBondContact N-O 3.34Å; C481-L629 HydrophobicContact CB-CD2 3.76Å; C481-L629 WeakPolarHBondContact O-CA 3.28Å; C481-I630 PolarHBondContact O-N 2.88Å; C481-C699 VanDerWaalsContact CA-O 3.31Å; C481-C699 WeakPolarHBondContact CA-O 3.39Å; C481-C699 HydrophobicContact CB-CB 4.37Å
482	F	93.3	Very high	91.9	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.009	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.9	179.6	65.9	-96.5	0	0	0	113.1	T480 I630 L632 L662 I666 T698 C699 M700 I701	T480-F482 HydrophobicContact CG2-CD1 4.24Å; F482-I630 WeakPolarHBondContact CA-O 3.15Å; F482-I630 HydrophobicContact CB-CB 3.88Å; F482-I630 HydrophobicContact CB-CG2 4.36Å; F482-L632 HydrophobicContact CB-CD1 4.49Å; F482-L632 HydrophobicContact CD2-CD1 3.77Å; F482-L632 HydrophobicContact CE2-CD1 4.44Å; F482-L632 HydrophobicContact CG-CD1 4.47Å; F482-L662 HydrophobicContact CE2-CD2 4.43Å; F482-I666 HydrophobicContact CZ-CD1 4.13Å; F482-T698 HydrophobicContact CD1-CG2 4.13Å; F482-T698 HydrophobicContact CE1-CG2 3.65Å; F482-C699 PolarHBondContact N-O 2.8Å; F482-M700 HydrophobicContact CD2-CB 4.46Å; F482-M700 HydrophobicContact CD2-CG 4.18Å; F482-M700 HydrophobicContact CE1-CB 4.21Å; F482-M700 HydrophobicContact CE2-CB 3.82Å; F482-M700 HydrophobicContact CE2-CE 4.44Å; F482-M700 HydrophobicContact CE2-CG 3.47Å; F482-M700 VanDerWaalsContact CE2-CG 3.47Å; F482-M700 HydrophobicContact CE2-SD 3.77Å; F482-M700 HydrophobicContact CZ-CB 3.68Å; F482-M700 HydrophobicContact CZ-CG 3.79Å; F482-M700 HydrophobicContact CZ-SD 3.92Å; F482-I701 PolarHBondContact O-N 3.07Å
483	A	95.3	Very high	91.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.7	170.5	0	0	0	0	0	110.5	K491 M495 I630 L632 I701 M703	A483-K491 HydrophobicContact CB-CB 3.91Å; A483-K491 HydrophobicContact CB-CG 4.28Å; A483-M495 HydrophobicContact CB-CG 3.65Å; A483-M495 HydrophobicContact CB-SD 3.95Å; A483-I630 PolarHBondContact N-O 3.46Å; A483-L632 WeakPolarHBondContact O-CB 3.21Å; A483-L632 WeakPolarHBondContact O-CG 3.29Å; A483-L632 PolarHBondContact O-N 2.94Å; A483-I701 WeakPolarHBondContact CA-O 3.44Å; A483-M703 HydrophobicContact CB-CE 3.66Å
484	Y	94	Very high	91.9	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.016	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.3	-178.1	173.6	-93.1	0	0	0	111.1	L632 N635 L659 M700 I701 A702 M703 T717 Y720	Y484-L632 HydrophobicContact CD2-CD1 4.05Å; Y484-N635 VanDerWaalsContact CE1-ND2 3.27Å; Y484-N635 WeakPolarHBondContact CE1-ND2 3.4Å; Y484-N635 HydrophobicContact CE2-CB 4.01Å; Y484-N635 PolarHBondContact OH-ND2 3.39Å; Y484-N635 VanDerWaalsContact OH-ND2 3.07Å; Y484-L659 HydrophobicContact CD2-CD2 4.1Å; Y484-L659 HydrophobicContact CE2-CD1 4.21Å; Y484-L659 HydrophobicContact CE2-CD2 3.99Å; Y484-M700 HydrophobicContact CD1-CE 3.65Å; Y484-M700 HydrophobicContact CE1-CE 4.35Å; Y484-M700 HydrophobicContact CG-CE 4.02Å; Y484-I701 PolarHBondContact N-O 3.41Å; Y484-A702 CarbonylContact O-C 3.56Å; Y484-A702 WeakPolarHBondContact O-CA 3.38Å; Y484-M703 PolarHBondContact O-N 2.96Å; Y484-T717 HydrophobicContact CD1-CG2 3.92Å; Y484-T717 HydrophobicContact CE1-CG2 3.86Å; Y484-Y720 AromaticContact CD1-CD1 3.77Å; Y484-Y720 HydrophobicContact CD1-CD1 3.77Å; Y484-Y720 HydrophobicContact CD1-CE1 4.19Å; Y484-Y720 HydrophobicContact CD2-CD1 4.35Å; Y484-Y720 HydrophobicContact CD2-CE1 4.09Å; Y484-Y720 AromaticContact CE1-CD1 3.29Å; Y484-Y720 HydrophobicContact CE1-CD1 3.29Å; Y484-Y720 AromaticContact CE1-CE1 4Å; Y484-Y720 HydrophobicContact CE1-CE1 4Å; Y484-Y720 HydrophobicContact CE1-CG 4.2Å; Y484-Y720 AromaticContact CE2-CD1 3.92Å; Y484-Y720 HydrophobicContact CE2-CD1 3.92Å; Y484-Y720 AromaticContact CE2-CE1 3.87Å; Y484-Y720 HydrophobicContact CE2-CE1 3.87Å; Y484-Y720 HydrophobicContact CG-CD1 4.27Å; Y484-Y720 HydrophobicContact CG-CE1 4.23Å; Y484-Y720 AromaticContact CZ-CD1 3.33Å; Y484-Y720 AromaticContact CZ-CE1 3.8Å
485	G	92.9	Very high	91.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	137.4	179.4	-178.9	0	0	0	0	0	112.6	K491 N635	G485-K491 PolarHBondContact O-NZ 2.91Å; G485-N635 VanDerWaalsContact C-CG 3.49Å
486	Q	89.4	Confident	91.8	Very high	15 Å²	15	16.1 Å²	16.1	7%	0.07	9%	0.086	C	C	.	.			trans	-64.2	162.5	-176.1	60.8	178.6	98.9	0	0	112.8	S489 K491 N635 E636 S705 S710 H713	Q486-S489 WeakPolarHBondContact O-CB 3.43Å; Q486-S489 PolarHBondContact O-N 3.46Å; Q486-S489 PolarHBondContact O-OG 3.43Å; Q486-K491 PolarHBondContact O-NZ 3.03Å; Q486-K491 VanDerWaalsContact O-NZ 3.07Å; Q486-N635 WeakPolarHBondContact CA-OD1 3.39Å; Q486-N635 PolarHBondContact N-OD1 3.07Å; Q486-E636 WeakPolarHBondContact CA-OE2 3.48Å; Q486-S705 PolarHBondContact NE2-OG 2.89Å; Q486-S705 VanDerWaalsContact NE2-OG 3.11Å; Q486-S705 PolarHBondContact OE1-OG 2.99Å; Q486-S710 PolarHBondContact NE2-OG 3.49Å; Q486-S710 VanDerWaalsContact NE2-OG 3.17Å; Q486-H713 HydrophobicContact CB-CB 4.27Å
487	T	87.5	Confident	91.6	Very high	10 Å²	10	10.7 Å²	10.7	6%	0.061	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	141.3	160.4	-69.6	0	0	0	0	110.2	S489 A600 N601 S605 E636	T487-S489 VanDerWaalsContact C-N 3.31Å; T487-S489 PolarHBondContact O-N 3.32Å; T487-A600 HydrophobicContact CG2-CB 4Å; T487-N601 HydrophobicContact CG2-CB 3.9Å; T487-S605 VanDerWaalsContact OG1-CB 3.25Å; T487-S605 WeakPolarHBondContact OG1-CB 3.36Å; T487-E636 WeakPolarHBondContact CB-OE1 3.45Å; T487-E636 PolarHBondContact N-OE2 3.13Å; T487-E636 PolarHBondContact OG1-OE1 3.37Å
488	G	86.8	Confident	91.2	Very high	20 Å²	20	14.7 Å²	14.7	21%	0.206	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	-6.8	-174	0	0	0	0	0	115.8	R403 G490	R403-G488 WeakPolarHBondContact CD-O 3.37Å; R403-G488 PolarHBondContact NE-O 2.83Å; G488-G490 PolarHBondContact O-N 3.43Å
489	S	91.7	Very high	90.4	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.014	9%	0.091	C	C	.	.	S	Bend	trans	-73.9	-21.5	-178.3	57.4	0	0	0	0	115.9	R403 Q486 T487 M703	R403-S489 WeakPolarHBondContact CD-O 3.24Å; R403-S489 WeakPolarHBondContact CG-O 3.35Å; Q486-S489 WeakPolarHBondContact O-CB 3.43Å; Q486-S489 PolarHBondContact O-N 3.46Å; Q486-S489 PolarHBondContact O-OG 3.43Å; T487-S489 VanDerWaalsContact C-N 3.31Å; T487-S489 PolarHBondContact O-N 3.32Å; S489-M703 WeakPolarHBondContact CB-O 3.39Å; S489-M703 WeakPolarHBondContact OG-CB 3.34Å
490	G	91.6	Very high	89.2	Confident	22 Å²	22	21.4 Å²	21.4	23%	0.227	11%	0.114	C	C	.	.	S	Bend	trans	114.6	10.8	180	0	0	0	0	0	116.6	G488 H493 T494	G488-G490 PolarHBondContact O-N 3.43Å; G490-H493 PolarHBondContact O-N 3.27Å; G490-T494 PolarHBondContact O-N 2.96Å; G490-T494 PolarHBondContact O-OG1 3.1Å
491	K	93.6	Very high	87.5	Confident	11 Å²	11	27 Å²	27	5%	0.048	16%	0.16	C	C	.	.	H	α-helix	trans	-50.7	-63.1	177.7	-52.9	-168.5	-64.5	-79.2	0	112.7	A483 G485 Q486 H493 T494 M495 D631 L632 A633 M703	A483-K491 HydrophobicContact CB-CB 3.91Å; A483-K491 HydrophobicContact CB-CG 4.28Å; G485-K491 PolarHBondContact O-NZ 2.91Å; Q486-K491 PolarHBondContact O-NZ 3.03Å; Q486-K491 VanDerWaalsContact O-NZ 3.07Å; K491-H493 VanDerWaalsContact C-N 3.29Å; K491-H493 PolarHBondContact O-N 2.68Å; K491-T494 PolarHBondContact O-N 3.01Å; K491-M495 PolarHBondContact O-N 3.42Å; K491-D631 WeakPolarHBondContact CB-OD1 3.28Å; K491-L632 WeakPolarHBondContact CE-O 3.29Å; K491-A633 VanDerWaalsContact CE-O 3.23Å; K491-A633 WeakPolarHBondContact CE-O 3.17Å; K491-A633 PolarHBondContact NZ-O 2.91Å; K491-M703 HydrophobicContact CB-CG 4.35Å; K491-M703 HydrophobicContact CG-CB 4.17Å; K491-M703 HydrophobicContact CG-CG 3.78Å
492	T	90.8	Very high	85.5	Confident	19 Å²	19	37.4 Å²	37.4	12%	0.117	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-35.3	-179.4	-22.9	0	0	0	0	113.5	T494 G496 G497 F499 S604 D631	T492-T494 VanDerWaalsContact C-N 3.3Å; T492-T494 PolarHBondContact O-N 3.34Å; T492-G496 WeakPolarHBondContact O-CA 3.4Å; T492-G496 PolarHBondContact O-N 3.24Å; T492-G497 PolarHBondContact O-N 3.49Å; T492-F499 HydrophobicContact CG2-CE2 4.43Å; T492-F499 HydrophobicContact CG2-CZ 3.95Å; T492-S604 WeakPolarHBondContact CB-OG 3.41Å; T492-S604 VanDerWaalsContact CG2-OG 3.26Å; T492-S604 WeakPolarHBondContact CG2-OG 3.38Å; T492-S604 PolarHBondContact OG1-OG 3.45Å; T492-D631 PolarHBondContact N-OD1 2.76Å; T492-D631 VanDerWaalsContact N-OD1 3.13Å
493	H	91.4	Very high	83.9	Confident	69 Å²	69	39.4 Å²	39.4	32%	0.319	22%	0.221	S	C	.	.	H	α-helix	trans	-64.1	-36.7	176.8	-178.9	-67.7	0	0	0	111.8	N458 G490 K491 G497 E498	N458-H493 PolarHBondContact ND2-O 3.08Å; N458-H493 PolarHBondContact OD1-ND1 3.26Å; G490-H493 PolarHBondContact O-N 3.27Å; K491-H493 VanDerWaalsContact C-N 3.29Å; K491-H493 PolarHBondContact O-N 2.68Å; H493-G497 CarbonylContact O-C 3.6Å; H493-G497 VanDerWaalsContact O-CA 3.23Å; H493-G497 WeakPolarHBondContact O-CA 3.42Å; H493-G497 PolarHBondContact O-N 2.77Å; H493-E498 WeakPolarHBondContact NE2-CG 3.46Å
494	T	94.5	Very high	82.2	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-78.6	-43.6	178.9	-47.5	0	0	0	0	110.9	R401 V461 G490 K491 T492 I511 M703	R401-T494 PolarHBondContact NH1-OG1 2.92Å; V461-T494 HydrophobicContact CG1-CG2 3.92Å; G490-T494 PolarHBondContact O-N 2.96Å; G490-T494 PolarHBondContact O-OG1 3.1Å; K491-T494 PolarHBondContact O-N 3.01Å; T492-T494 VanDerWaalsContact C-N 3.3Å; T492-T494 PolarHBondContact O-N 3.34Å; T494-I511 HydrophobicContact CG2-CD1 3.73Å; T494-I511 HydrophobicContact CG2-CG1 4.25Å; T494-I511 WeakPolarHBondContact O-CG1 3.37Å; T494-I511 PolarHBondContact O-N 3.37Å; T494-M703 VanDerWaalsContact CB-CE 3.49Å; T494-M703 HydrophobicContact CG2-CE 3.77Å; T494-M703 WeakPolarHBondContact OG1-CE 3.47Å
495	M	94.2	Very high	81.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-76	-52.5	-176.5	-60.5	-54	-65.3	0	0	112.5	A483 K491 G510 I511 Y512 L629 D631	A483-M495 HydrophobicContact CB-CG 3.65Å; A483-M495 HydrophobicContact CB-SD 3.95Å; K491-M495 PolarHBondContact O-N 3.42Å; M495-G510 CarbonylContact O-C 3.58Å; M495-G510 WeakPolarHBondContact O-CA 3.29Å; M495-I511 HydrophobicContact CE-CG2 4.2Å; M495-I511 PolarHBondContact O-N 3.14Å; M495-I511 VanDerWaalsContact O-N 3.08Å; M495-I511 HydrophobicContact SD-CB 4.35Å; M495-I511 HydrophobicContact SD-CD1 4.26Å; M495-I511 HydrophobicContact SD-CG2 4.46Å; M495-Y512 HydrophobicContact CB-CE1 4.06Å; M495-Y512 HydrophobicContact CB-CE2 4.05Å; M495-Y512 HydrophobicContact CE-CD1 4.26Å; M495-Y512 HydrophobicContact CE-CE1 3.75Å; M495-Y512 WeakPolarHBondContact O-CD2 3.29Å; M495-Y512 PolarHBondContact O-N 3.03Å; M495-L629 HydrophobicContact CE-CB 3.92Å; M495-L629 HydrophobicContact CE-CD2 4.47Å; M495-D631 HydrophobicContact CB-CB 4.1Å; M495-D631 HydrophobicContact CG-CB 4.04Å
496	G	88.6	Confident	80.5	Confident	7 Å²	7	49.7 Å²	49.7	7%	0.072	27%	0.27	C	S	.	.	H	α-helix	trans	-101.1	-4.3	-175	0	0	0	0	0	116.1	T492 Q505 C507	T492-G496 WeakPolarHBondContact O-CA 3.4Å; T492-G496 PolarHBondContact O-N 3.24Å; G496-Q505 PolarHBondContact O-NE2 3.24Å; G496-C507 WeakPolarHBondContact O-CA 3.32Å
497	G	87.7	Confident	80	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.268	C	S	.	.			trans	92.7	179.2	176.1	0	0	0	0	0	115.3	T492 H493 Q505 N506 N509	T492-G497 PolarHBondContact O-N 3.49Å; H493-G497 CarbonylContact O-C 3.6Å; H493-G497 VanDerWaalsContact O-CA 3.23Å; H493-G497 WeakPolarHBondContact O-CA 3.42Å; H493-G497 PolarHBondContact O-N 2.77Å; G497-Q505 PolarHBondContact O-NE2 2.78Å; G497-N506 WeakPolarHBondContact CA-O 3.47Å; G497-N509 WeakPolarHBondContact CA-OD1 3.11Å
498	E	80.3	Confident	79.9	Confident	85 Å²	85	51.4 Å²	51.4	40%	0.397	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	148.2	-171.5	-88	169.3	-137.1	0	0	114.4	H493 Q505 N506 N509	H493-E498 WeakPolarHBondContact NE2-CG 3.46Å; E498-Q505 CarbonylContact O-C 3.58Å; E498-Q505 WeakPolarHBondContact O-CA 3.49Å; E498-N506 HydrophobicContact CB-CB 4.46Å; E498-N506 PolarHBondContact O-N 3.19Å; E498-N509 WeakPolarHBondContact CG-ND2 3.42Å; E498-N509 PolarHBondContact N-OD1 2.97Å; E498-N509 PolarHBondContact OE1-ND2 2.92Å
499	F	75	Confident	80	Confident	79 Å²	79	52 Å²	52	35%	0.346	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	112.6	173.1	-64.5	-88.9	0	0	0	110.4	T492 Q505	T492-F499 HydrophobicContact CG2-CE2 4.43Å; T492-F499 HydrophobicContact CG2-CZ 3.95Å; F499-Q505 HydrophobicContact CD1-CB 4Å; F499-Q505 HydrophobicContact CD1-CG 4.1Å; F499-Q505 HydrophobicContact CE1-CB 3.99Å; F499-Q505 HydrophobicContact CE1-CG 3.92Å; F499-Q505 HydrophobicContact CZ-CG 4.23Å; F499-Q505 VanDerWaalsContact CZ-NE2 3.25Å
500	H	67.1	Low	80	Confident	104 Å²	104	52 Å²	52	48%	0.481	28%	0.283	S	S	.	.			trans	-70	155	171.4	-73.3	101.3	0	0	0	111.1	R502 G503 Q504	H500-R502 PolarHBondContact O-N 3.37Å; H500-G503 PolarHBondContact O-N 2.99Å; H500-Q504 WeakPolarHBondContact CB-O 3.47Å; H500-Q504 PolarHBondContact N-O 3.17Å
501	A	56.1	Low	80.2	Confident	117 Å²	117	50.9 Å²	50.9	97%	0.967	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-6.3	-177.2	0	0	0	0	0	115.8
502	R	54.5	Low	80.3	Confident	218 Å²	218	50.8 Å²	50.8	82%	0.823	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	11	172.5	-61.7	-175.5	179.1	-177.9	-0.4	113.6	H500 Q504	H500-R502 PolarHBondContact O-N 3.37Å; R502-Q504 PolarHBondContact O-N 2.66Å
503	G	58	Low	80.5	Confident	45 Å²	45	50 Å²	50	46%	0.464	27%	0.267	S	S	.	.	S	Bend	trans	75.4	-2.1	-174.2	0	0	0	0	0	114.7	H500 Q505	H500-G503 PolarHBondContact O-N 2.99Å; G503-Q505 PolarHBondContact O-N 3.49Å
504	Q	61	Low	80.7	Confident	130 Å²	130	48.5 Å²	48.5	61%	0.607	26%	0.261	S	S	*	.			trans	-79.3	118	178.6	-66.7	179.2	-56.7	0	0	110.6	H500 R502	H500-Q504 WeakPolarHBondContact CB-O 3.47Å; H500-Q504 PolarHBondContact N-O 3.17Å; R502-Q504 PolarHBondContact O-N 2.66Å
505	Q	70.4	Confident	80.8	Confident	38 Å²	38	48.4 Å²	48.4	18%	0.178	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122.2	176.7	-169	169.7	21.2	0	0	111.1	G496 G497 E498 F499 G503 C507	G496-Q505 PolarHBondContact O-NE2 3.24Å; G497-Q505 PolarHBondContact O-NE2 2.78Å; E498-Q505 CarbonylContact O-C 3.58Å; E498-Q505 WeakPolarHBondContact O-CA 3.49Å; F499-Q505 HydrophobicContact CD1-CB 4Å; F499-Q505 HydrophobicContact CD1-CG 4.1Å; F499-Q505 HydrophobicContact CE1-CB 3.99Å; F499-Q505 HydrophobicContact CE1-CG 3.92Å; F499-Q505 HydrophobicContact CZ-CG 4.23Å; F499-Q505 VanDerWaalsContact CZ-NE2 3.25Å; G503-Q505 PolarHBondContact O-N 3.49Å; Q505-C507 PolarHBondContact O-N 2.87Å; Q505-C507 VanDerWaalsContact O-N 3.17Å
506	N	79.4	Confident	80.8	Confident	51 Å²	51	48.4 Å²	48.4	27%	0.273	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	95.8	171.2	-173.6	19.8	0	0	0	109.9	G497 E498 S508 N509	G497-N506 WeakPolarHBondContact CA-O 3.47Å; E498-N506 HydrophobicContact CB-CB 4.46Å; E498-N506 PolarHBondContact O-N 3.19Å; N506-S508 PolarHBondContact ND2-OG 3.43Å; N506-S508 PolarHBondContact O-N 2.74Å; N506-S508 PolarHBondContact OD1-OG 3.11Å; N506-N509 PolarHBondContact O-OD1 3.39Å
507	C	80.8	Confident	81.2	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.027	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-71.3	-14.2	-175	-62.7	0	0	0	0	114	G496 Q505 N509 G510 A513 L583 L586 Q587	G496-C507 WeakPolarHBondContact O-CA 3.32Å; Q505-C507 PolarHBondContact O-N 2.87Å; Q505-C507 VanDerWaalsContact O-N 3.17Å; C507-N509 PolarHBondContact O-N 3.44Å; C507-G510 PolarHBondContact O-N 3.21Å; C507-A513 WeakPolarHBondContact O-CB 3.43Å; C507-L583 HydrophobicContact CB-CD2 3.79Å; C507-L586 HydrophobicContact CB-CB 4.39Å; C507-Q587 HydrophobicContact CB-CG 4.45Å
508	S	83.7	Confident	81.5	Confident	57 Å²	57	50.8 Å²	50.8	40%	0.399	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-72.1	-27.8	-171.3	63.6	0	0	0	0	114.9	N506	N506-S508 PolarHBondContact ND2-OG 3.43Å; N506-S508 PolarHBondContact O-N 2.74Å; N506-S508 PolarHBondContact OD1-OG 3.11Å
509	N	88.7	Confident	82.3	Confident	34 Å²	34	46.8 Å²	46.8	18%	0.182	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-98.9	7.8	179.1	68.5	4.5	0	0	0	113.6	N458 G497 E498 N506 C507	N458-N509 WeakPolarHBondContact CB-O 3.29Å; N458-N509 PolarHBondContact ND2-O 2.94Å; G497-N509 WeakPolarHBondContact CA-OD1 3.11Å; E498-N509 WeakPolarHBondContact CG-ND2 3.42Å; E498-N509 PolarHBondContact N-OD1 2.97Å; E498-N509 PolarHBondContact OE1-ND2 2.92Å; N506-N509 PolarHBondContact O-OD1 3.39Å; C507-N509 PolarHBondContact O-N 3.44Å
510	G	93.1	Very high	83.2	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-81.1	151.2	171.3	0	0	0	0	0	112.4	M495 C507 Y512 A513 L514	M495-G510 CarbonylContact O-C 3.58Å; M495-G510 WeakPolarHBondContact O-CA 3.29Å; C507-G510 PolarHBondContact O-N 3.21Å; G510-Y512 PolarHBondContact O-N 2.92Å; G510-Y512 VanDerWaalsContact O-N 3.1Å; G510-A513 PolarHBondContact O-N 2.9Å; G510-L514 PolarHBondContact O-N 2.83Å; G510-L514 VanDerWaalsContact O-N 3.1Å
511	I	96.1	Very high	84.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-51.7	-33.2	173.8	-73.8	-177.7	0	0	0	112	V461 Y462 A466 T494 M495 A513 A515 L629 I701	V461-I511 HydrophobicContact CG1-CD1 4.37Å; Y462-I511 HydrophobicContact CD2-CG1 4.19Å; Y462-I511 HydrophobicContact CD2-CG2 4.22Å; A466-I511 HydrophobicContact CB-CG2 3.8Å; T494-I511 HydrophobicContact CG2-CD1 3.73Å; T494-I511 HydrophobicContact CG2-CG1 4.25Å; T494-I511 WeakPolarHBondContact O-CG1 3.37Å; T494-I511 PolarHBondContact O-N 3.37Å; M495-I511 HydrophobicContact CE-CG2 4.2Å; M495-I511 PolarHBondContact O-N 3.14Å; M495-I511 VanDerWaalsContact O-N 3.08Å; M495-I511 HydrophobicContact SD-CB 4.35Å; M495-I511 HydrophobicContact SD-CD1 4.26Å; M495-I511 HydrophobicContact SD-CG2 4.46Å; I511-A513 VanDerWaalsContact C-N 3.34Å; I511-A513 PolarHBondContact O-N 2.87Å; I511-A515 WeakPolarHBondContact O-CB 3.34Å; I511-A515 PolarHBondContact O-N 3.02Å; I511-L629 HydrophobicContact CG2-CD1 4.43Å; I511-L629 HydrophobicContact CG2-CD2 4.09Å; I511-I701 HydrophobicContact CD1-CD1 3.64Å
512	Y	95.2	Very high	86.3	Confident	8 Å²	8	39.4 Å²	39.4	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-56.8	-43.7	175.1	-60	-37.5	0	0	0	113.2	M495 G510 A516 L586 F611 L629 D631	M495-Y512 HydrophobicContact CB-CE1 4.06Å; M495-Y512 HydrophobicContact CB-CE2 4.05Å; M495-Y512 HydrophobicContact CE-CD1 4.26Å; M495-Y512 HydrophobicContact CE-CE1 3.75Å; M495-Y512 WeakPolarHBondContact O-CD2 3.29Å; M495-Y512 PolarHBondContact O-N 3.03Å; G510-Y512 PolarHBondContact O-N 2.92Å; G510-Y512 VanDerWaalsContact O-N 3.1Å; Y512-A516 WeakPolarHBondContact O-CB 3.42Å; Y512-A516 PolarHBondContact O-N 3.04Å; Y512-L586 HydrophobicContact CD2-CD2 3.69Å; Y512-L586 HydrophobicContact CE2-CD2 4.46Å; Y512-L586 HydrophobicContact CG-CD2 3.95Å; Y512-F611 HydrophobicContact CD1-CB 3.94Å; Y512-F611 AromaticContact CD1-CD1 3.81Å; Y512-F611 HydrophobicContact CD1-CD1 3.81Å; Y512-F611 HydrophobicContact CD1-CG 4.21Å; Y512-F611 HydrophobicContact CE1-CB 3.77Å; Y512-F611 HydrophobicContact CE1-CD1 4.49Å; Y512-F611 HydrophobicContact CG-CD1 4.12Å; Y512-L629 HydrophobicContact CD1-CB 3.56Å; Y512-L629 HydrophobicContact CD1-CD1 3.96Å; Y512-L629 HydrophobicContact CD1-CG 4.4Å; Y512-L629 HydrophobicContact CE1-CB 3.57Å; Y512-D631 WeakPolarHBondContact OH-CB 3.43Å
513	A	94.3	Very high	88.1	Confident	4 Å²	4	30.2 Å²	30.2	3%	0.033	17%	0.174	C	C	.	.	H	α-helix	trans	-81.3	-39.6	-178.5	0	0	0	0	0	112.4	C507 G510 I511 A515 A516 A517 L583	C507-A513 WeakPolarHBondContact O-CB 3.43Å; G510-A513 PolarHBondContact O-N 2.9Å; I511-A513 VanDerWaalsContact C-N 3.34Å; I511-A513 PolarHBondContact O-N 2.87Å; A513-A515 PolarHBondContact O-N 3.05Å; A513-A516 PolarHBondContact O-N 2.88Å; A513-A517 PolarHBondContact O-N 3.41Å; A513-L583 HydrophobicContact CB-CD2 3.71Å
514	L	95.5	Very high	89.7	Confident	36 Å²	36	32.1 Å²	32.1	19%	0.188	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-43.4	176.2	-63.1	174.2	0	0	0	111.4	Y462 G510 A517 D518	Y462-L514 HydrophobicContact CD1-CB 3.76Å; Y462-L514 HydrophobicContact CD1-CD1 4.11Å; Y462-L514 HydrophobicContact CD1-CG 4.48Å; Y462-L514 HydrophobicContact CD2-CB 3.84Å; Y462-L514 HydrophobicContact CE1-CB 3.9Å; Y462-L514 HydrophobicContact CE2-CB 4.01Å; Y462-L514 HydrophobicContact CG-CB 3.74Å; Y462-L514 HydrophobicContact CG-CD1 3.84Å; Y462-L514 HydrophobicContact CG-CG 4.45Å; Y462-L514 PolarHBondContact OH-O 3.43Å; G510-L514 PolarHBondContact O-N 2.83Å; G510-L514 VanDerWaalsContact O-N 3.1Å; L514-A517 PolarHBondContact O-N 2.97Å; L514-D518 PolarHBondContact O-N 2.87Å; L514-D518 VanDerWaalsContact O-N 3.16Å
515	A	96.5	Very high	91.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.7	-41.7	173.4	0	0	0	0	0	112.3	Y462 I511 A513 V519 F627 L629	Y462-A515 HydrophobicContact CE2-CB 3.97Å; Y462-A515 WeakPolarHBondContact OH-CA 3.27Å; I511-A515 WeakPolarHBondContact O-CB 3.34Å; I511-A515 PolarHBondContact O-N 3.02Å; A513-A515 PolarHBondContact O-N 3.05Å; A515-V519 WeakPolarHBondContact O-CB 3.26Å; A515-V519 VanDerWaalsContact O-CG2 3.23Å; A515-V519 WeakPolarHBondContact O-CG2 3.4Å; A515-V519 PolarHBondContact O-N 2.9Å; A515-F627 HydrophobicContact CB-CD1 4.49Å; A515-F627 HydrophobicContact CB-CE1 4.04Å; A515-L629 HydrophobicContact CB-CD1 3.68Å
516	A	95.7	Very high	92.1	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-43.8	176.1	0	0	0	0	0	111.8	Y512 A513 V519 F520 V582 L613	Y512-A516 WeakPolarHBondContact O-CB 3.42Å; Y512-A516 PolarHBondContact O-N 3.04Å; A513-A516 PolarHBondContact O-N 2.88Å; A516-V519 PolarHBondContact O-N 3.2Å; A516-F520 WeakPolarHBondContact O-CD2 3.22Å; A516-F520 PolarHBondContact O-N 3Å; A516-V582 HydrophobicContact CB-CB 4.25Å; A516-V582 HydrophobicContact CB-CG1 3.87Å; A516-V582 HydrophobicContact CB-CG2 4.23Å; A516-L613 HydrophobicContact CB-CD1 4.13Å
517	A	95.2	Very high	92.6	Very high	30 Å²	30	33.1 Å²	33.1	25%	0.248	19%	0.191	C	C	.	.	H	α-helix	trans	-59.2	-49.6	177.8	0	0	0	0	0	112.2	A513 L514 V519 F520 N521 V579	A513-A517 PolarHBondContact O-N 3.41Å; L514-A517 PolarHBondContact O-N 2.97Å; A517-V519 VanDerWaalsContact C-N 3.32Å; A517-V519 PolarHBondContact O-N 3.03Å; A517-F520 PolarHBondContact O-N 3.02Å; A517-N521 WeakPolarHBondContact O-CB 3.33Å; A517-N521 PolarHBondContact O-N 2.81Å; A517-N521 PolarHBondContact O-ND2 2.78Å; A517-V579 HydrophobicContact CB-CG2 4.09Å
518	D	95.8	Very high	92.9	Very high	27 Å²	27	41.5 Å²	41.5	14%	0.144	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-34.4	175.7	-81.8	-34.3	0	0	0	112.9	Y462 K467 V470 L514 N521 L522	Y462-D518 WeakPolarHBondContact CE1-OD2 3.46Å; Y462-D518 VanDerWaalsContact CZ-OD2 3.28Å; Y462-D518 WeakPolarHBondContact OH-CB 3.47Å; Y462-D518 PolarHBondContact OH-OD2 3.44Å; K467-D518 WeakPolarHBondContact CG-OD2 3.45Å; K467-D518 IonicContact NZ-OD1 3.15Å; K467-D518 PolarHBondContact NZ-OD1 2.79Å; K467-D518 IonicContact NZ-OD2 3.57Å; K467-D518 PolarHBondContact NZ-OD2 2.69Å; V470-D518 HydrophobicContact CG1-CB 4.33Å; V470-D518 HydrophobicContact CG2-CB 4.35Å; L514-D518 PolarHBondContact O-N 2.87Å; L514-D518 VanDerWaalsContact O-N 3.16Å; D518-N521 PolarHBondContact O-N 3.08Å; D518-L522 WeakPolarHBondContact O-CB 3.06Å; D518-L522 WeakPolarHBondContact O-CG 3.17Å; D518-L522 PolarHBondContact O-N 2.82Å
519	V	96	Very high	93.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-46.9	173.7	167.9	0	0	0	0	111.2	V470 I473 F474 A515 A516 A517 N523 I534 L613 L615	V470-V519 HydrophobicContact CG1-CG2 3.66Å; I473-V519 HydrophobicContact CD1-CG2 3.97Å; F474-V519 HydrophobicContact CZ-CG1 4.23Å; F474-V519 WeakPolarHBondContact CZ-O 3.28Å; A515-V519 WeakPolarHBondContact O-CB 3.26Å; A515-V519 VanDerWaalsContact O-CG2 3.23Å; A515-V519 WeakPolarHBondContact O-CG2 3.4Å; A515-V519 PolarHBondContact O-N 2.9Å; A516-V519 PolarHBondContact O-N 3.2Å; A517-V519 VanDerWaalsContact C-N 3.32Å; A517-V519 PolarHBondContact O-N 3.03Å; V519-N523 VanDerWaalsContact O-CB 3.29Å; V519-N523 WeakPolarHBondContact O-CB 3.37Å; V519-N523 PolarHBondContact O-N 3.37Å; V519-I534 HydrophobicContact CG1-CD1 3.92Å; V519-I534 HydrophobicContact CG1-CG1 4.25Å; V519-I534 HydrophobicContact CG1-CG2 4.3Å; V519-L613 HydrophobicContact CG2-CD1 4.17Å; V519-L615 HydrophobicContact CG1-CD2 4.05Å
520	F	95.2	Very high	93.1	Very high	21 Å²	21	46.8 Å²	46.8	9%	0.092	24%	0.244	C	C	.	.	H	α-helix	trans	-63.9	-41.8	175.5	-78	-70.2	0	0	0	111.9	A516 A517 N523 T524 I534 V576 N577 S578 V579 V582	A516-F520 WeakPolarHBondContact O-CD2 3.22Å; A516-F520 PolarHBondContact O-N 3Å; A517-F520 PolarHBondContact O-N 3.02Å; F520-N523 PolarHBondContact O-N 2.98Å; F520-T524 WeakPolarHBondContact O-CB 3.11Å; F520-T524 WeakPolarHBondContact O-CG2 3.5Å; F520-T524 PolarHBondContact O-N 2.94Å; F520-T524 PolarHBondContact O-OG1 2.81Å; F520-I534 HydrophobicContact CD1-CD1 3.45Å; F520-I534 VanDerWaalsContact CD1-CD1 3.45Å; F520-I534 HydrophobicContact CE1-CB 4.5Å; F520-I534 HydrophobicContact CE1-CD1 3.45Å; F520-I534 VanDerWaalsContact CE1-CD1 3.45Å; F520-I534 HydrophobicContact CG-CD1 4.14Å; F520-I534 HydrophobicContact CZ-CD1 4.14Å; F520-V576 VanDerWaalsContact CE1-O 3.28Å; F520-V576 WeakPolarHBondContact CE1-O 3.48Å; F520-V576 HydrophobicContact CZ-CB 4.15Å; F520-V576 HydrophobicContact CZ-CG2 4Å; F520-V576 WeakPolarHBondContact CZ-O 3.5Å; F520-N577 VanDerWaalsContact CE1-C 3.5Å; F520-S578 WeakPolarHBondContact CE2-O 3.47Å; F520-S578 WeakPolarHBondContact CZ-O 3.42Å; F520-V579 HydrophobicContact CD2-CG2 3.74Å; F520-V579 HydrophobicContact CE2-CG2 4.4Å; F520-V579 HydrophobicContact CG-CG2 4.47Å; F520-V582 HydrophobicContact CE2-CG2 4Å; F520-V582 HydrophobicContact CZ-CG2 4.45Å
521	N	94.5	Very high	92.9	Very high	90 Å²	90	51.3 Å²	51.3	48%	0.481	27%	0.269	S	S	.	.	H	α-helix	trans	-61.3	-48.6	177.7	-69.6	-22.9	0	0	0	111.7	A517 D518 T524 T525	A517-N521 WeakPolarHBondContact O-CB 3.33Å; A517-N521 PolarHBondContact O-N 2.81Å; A517-N521 PolarHBondContact O-ND2 2.78Å; D518-N521 PolarHBondContact O-N 3.08Å; N521-T524 PolarHBondContact O-N 3.11Å; N521-T524 PolarHBondContact O-OG1 3.33Å; N521-T524 VanDerWaalsContact O-OG1 3.11Å; N521-T525 WeakPolarHBondContact O-CB 3.18Å; N521-T525 WeakPolarHBondContact O-CG2 3.47Å; N521-T525 PolarHBondContact O-N 2.97Å; N521-T525 PolarHBondContact O-OG1 2.98Å
522	L	93.6	Very high	92.8	Very high	35 Å²	35	52 Å²	52	18%	0.183	27%	0.272	C	S	.	.	H	α-helix	trans	-70.2	-33.6	-179.9	-76.6	166.2	0	0	0	112.9	V470 F474 D518 T526 Y527	V470-L522 HydrophobicContact CB-CD1 4.39Å; V470-L522 HydrophobicContact CG1-CD1 3.62Å; F474-L522 HydrophobicContact CD2-CB 4.09Å; F474-L522 HydrophobicContact CD2-CD1 4.33Å; F474-L522 HydrophobicContact CE2-CB 3.58Å; F474-L522 HydrophobicContact CE2-CD1 4.22Å; F474-L522 HydrophobicContact CZ-CB 3.92Å; D518-L522 WeakPolarHBondContact O-CB 3.06Å; D518-L522 WeakPolarHBondContact O-CG 3.17Å; D518-L522 PolarHBondContact O-N 2.82Å; L522-T526 PolarHBondContact O-N 2.87Å; L522-Y527 HydrophobicContact CB-CD2 4.29Å; L522-Y527 HydrophobicContact CD2-CE2 4.47Å; L522-Y527 PolarHBondContact O-N 2.86Å
523	N	92.1	Very high	92.7	Very high	24 Å²	24	55.4 Å²	55.4	13%	0.128	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-36.9	175.4	-162.2	39.8	0	0	0	112.2	F474 V519 F520 Y527 R528 L532 I534	F474-N523 HydrophobicContact CE1-CB 3.93Å; F474-N523 HydrophobicContact CZ-CB 3.95Å; V519-N523 VanDerWaalsContact O-CB 3.29Å; V519-N523 WeakPolarHBondContact O-CB 3.37Å; V519-N523 PolarHBondContact O-N 3.37Å; F520-N523 PolarHBondContact O-N 2.98Å; N523-Y527 CarbonylContact O-C 3.5Å; N523-R528 VanDerWaalsContact O-CA 3.27Å; N523-R528 WeakPolarHBondContact O-CA 3.28Å; N523-R528 PolarHBondContact O-N 2.85Å; N523-R528 VanDerWaalsContact O-N 3.12Å; N523-L532 PolarHBondContact ND2-O 3.32Å; N523-I534 HydrophobicContact CB-CD1 4.2Å
524	T	90.6	Very high	92.8	Very high	86 Å²	86	55.5 Å²	55.5	53%	0.528	29%	0.285	S	S	.	.	H	α-helix	trans	-82.5	-29.2	-179.5	53.1	0	0	0	0	114.1	F520 N521	F520-T524 WeakPolarHBondContact O-CB 3.11Å; F520-T524 WeakPolarHBondContact O-CG2 3.5Å; F520-T524 PolarHBondContact O-N 2.94Å; F520-T524 PolarHBondContact O-OG1 2.81Å; N521-T524 PolarHBondContact O-N 3.11Å; N521-T524 PolarHBondContact O-OG1 3.33Å; N521-T524 VanDerWaalsContact O-OG1 3.11Å
525	T	91.1	Very high	92.8	Very high	98 Å²	98	54 Å²	54	60%	0.601	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-74.2	-178.8	58.1	0	0	0	0	112.6	N521	N521-T525 WeakPolarHBondContact O-CB 3.18Å; N521-T525 WeakPolarHBondContact O-CG2 3.47Å; N521-T525 PolarHBondContact O-N 2.97Å; N521-T525 PolarHBondContact O-OG1 2.98Å
526	T	90.2	Very high	92.8	Very high	89 Å²	89	54 Å²	54	55%	0.546	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-43.1	-171.2	-49.9	0	0	0	0	113.2	L522	L522-T526 PolarHBondContact O-N 2.87Å
527	Y	90.2	Very high	92.8	Very high	52 Å²	52	54 Å²	54	20%	0.204	28%	0.277	C	S	.	.	S	Bend	trans	-103.4	10.9	-168.1	-65.5	-78.5	0	0	0	114.7	F474 L522 N523 N529 E530	F474-Y527 HydrophobicContact CB-CD1 4.06Å; F474-Y527 HydrophobicContact CB-CD2 3.68Å; F474-Y527 HydrophobicContact CB-CE1 3.86Å; F474-Y527 HydrophobicContact CB-CE2 3.47Å; F474-Y527 VanDerWaalsContact CB-CE2 3.47Å; F474-Y527 HydrophobicContact CB-CG 3.97Å; F474-Y527 HydrophobicContact CD1-CD1 4.22Å; F474-Y527 AromaticContact CD1-CD2 3.46Å; F474-Y527 HydrophobicContact CD1-CD2 3.46Å; F474-Y527 VanDerWaalsContact CD1-CD2 3.46Å; F474-Y527 HydrophobicContact CD1-CE2 4.17Å; F474-Y527 AromaticContact CD1-CG 3.5Å; F474-Y527 HydrophobicContact CD1-CG 3.5Å; F474-Y527 VanDerWaalsContact CD1-CG 3.5Å; F474-Y527 HydrophobicContact CD2-CD2 4.11Å; F474-Y527 HydrophobicContact CD2-CE2 4.21Å; F474-Y527 HydrophobicContact CE1-CD2 4.11Å; F474-Y527 HydrophobicContact CE1-CG 4.23Å; F474-Y527 HydrophobicContact CG-CD1 4.46Å; F474-Y527 AromaticContact CG-CD2 3.47Å; F474-Y527 HydrophobicContact CG-CD2 3.47Å; F474-Y527 VanDerWaalsContact CG-CD2 3.47Å; F474-Y527 AromaticContact CG-CE2 3.7Å; F474-Y527 HydrophobicContact CG-CE2 3.7Å; F474-Y527 AromaticContact CG-CG 3.9Å; F474-Y527 HydrophobicContact CG-CG 3.9Å; L522-Y527 HydrophobicContact CB-CD2 4.29Å; L522-Y527 HydrophobicContact CD2-CE2 4.47Å; L522-Y527 PolarHBondContact O-N 2.86Å; N523-Y527 CarbonylContact O-C 3.5Å; Y527-N529 PolarHBondContact O-N 2.92Å; Y527-E530 WeakPolarHBondContact O-CB 3.42Å; Y527-E530 PolarHBondContact O-N 2.93Å
528	R	87.6	Confident	92.9	Very high	180 Å²	180	52.8 Å²	52.8	68%	0.679	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-48.1	-35.7	-178.7	-174.4	174.8	177.6	169.1	-0.1	113.8	N523 E530	N523-R528 VanDerWaalsContact O-CA 3.27Å; N523-R528 WeakPolarHBondContact O-CA 3.28Å; N523-R528 PolarHBondContact O-N 2.85Å; N523-R528 VanDerWaalsContact O-N 3.12Å; R528-E530 VanDerWaalsContact C-N 3.31Å; R528-E530 PolarHBondContact O-N 2.89Å
529	N	88.2	Confident	92.8	Very high	147 Å²	147	51.5 Å²	51.5	79%	0.786	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-72.9	-15.3	-178.2	-62.5	-17.5	0	0	0	114.4	Y527 N531	Y527-N529 PolarHBondContact O-N 2.92Å; N529-N531 VanDerWaalsContact C-N 3.31Å; N529-N531 PolarHBondContact O-ND2 3.06Å
530	E	87.9	Confident	92.7	Very high	55 Å²	55	51.5 Å²	51.5	26%	0.257	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-81.7	-7.9	179.3	-76.6	-88.1	-131.3	0	0	113.5	R476 Y527 R528 L532 K617 H624	R476-E530 IonicContact CZ-OE1 3.23Å; R476-E530 IonicContact NE-OE1 2.68Å; R476-E530 PolarHBondContact NE-OE1 2.93Å; R476-E530 IonicContact NH2-OE1 2.69Å; R476-E530 PolarHBondContact NH2-OE1 3.35Å; R476-E530 IonicContact NH2-OE2 2.86Å; R476-E530 PolarHBondContact NH2-OE2 3.21Å; Y527-E530 WeakPolarHBondContact O-CB 3.42Å; Y527-E530 PolarHBondContact O-N 2.93Å; R528-E530 VanDerWaalsContact C-N 3.31Å; R528-E530 PolarHBondContact O-N 2.89Å; E530-L532 HydrophobicContact CB-CD1 4.1Å; E530-L532 HydrophobicContact CB-CD2 4.1Å; E530-L532 HydrophobicContact CB-CG 3.83Å; E530-K617 PolarHBondContact O-NZ 3.28Å; E530-K617 IonicContact OE2-NZ 2.83Å; E530-K617 PolarHBondContact OE2-NZ 3.19Å; E530-H624 IonicContact OE1-CE1 2.92Å; E530-H624 PolarHBondContact OE1-CE1 3.37Å
531	N	89.5	Confident	92.6	Very high	96 Å²	96	50.9 Å²	50.9	51%	0.513	26%	0.257	S	S	.	.			trans	47.7	63.5	-179.4	-65.1	-66	0	0	0	112.8	N529 Q618	N529-N531 VanDerWaalsContact C-N 3.31Å; N529-N531 PolarHBondContact O-ND2 3.06Å; N531-Q618 WeakPolarHBondContact O-CB 3.07Å; N531-Q618 PolarHBondContact O-N 2.77Å
532	L	93.5	Very high	92.4	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.068	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.3	-178.1	-51.2	178.2	0	0	0	110.6	F474 N523 E530 L615 K616 K617 H624	F474-L532 HydrophobicContact CD1-CD1 4.01Å; F474-L532 HydrophobicContact CE1-CD1 4.14Å; N523-L532 PolarHBondContact ND2-O 3.32Å; E530-L532 HydrophobicContact CB-CD1 4.1Å; E530-L532 HydrophobicContact CB-CD2 4.1Å; E530-L532 HydrophobicContact CB-CG 3.83Å; L532-L615 HydrophobicContact CD1-CB 4.4Å; L532-L615 HydrophobicContact CD1-CD1 4.19Å; L532-K616 WeakPolarHBondContact CA-O 3.41Å; L532-K617 HydrophobicContact CD2-CB 4.48Å; L532-K617 HydrophobicContact CD2-CG 3.55Å; L532-H624 HydrophobicContact CD2-CB 3.95Å
533	R	93.9	Very high	92.1	Very high	80 Å²	80	48.7 Å²	48.7	30%	0.302	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	151.2	162	64.7	166.9	179.1	-131.3	5.9	110.4	E575 K616	R533-E575 VanDerWaalsContact CB-OE1 3.25Å; R533-E575 WeakPolarHBondContact CB-OE1 3.43Å; R533-E575 WeakPolarHBondContact CD-OE1 3.42Å; R533-E575 WeakPolarHBondContact CD-OE2 3.4Å; R533-K616 HydrophobicContact CG-CB 4.05Å; R533-K616 WeakPolarHBondContact CG-O 3.46Å; R533-K616 PolarHBondContact N-O 3.3Å; R533-K616 PolarHBondContact O-N 2.86Å
534	I	95.9	Very high	91.8	Very high	6 Å²	6	49 Å²	49	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.8	-179.3	-56.7	160.3	0	0	0	107.9	V519 F520 N523 V576 L613 L615	V519-I534 HydrophobicContact CG1-CD1 3.92Å; V519-I534 HydrophobicContact CG1-CG1 4.25Å; V519-I534 HydrophobicContact CG1-CG2 4.3Å; F520-I534 HydrophobicContact CD1-CD1 3.45Å; F520-I534 VanDerWaalsContact CD1-CD1 3.45Å; F520-I534 HydrophobicContact CE1-CB 4.5Å; F520-I534 HydrophobicContact CE1-CD1 3.45Å; F520-I534 VanDerWaalsContact CE1-CD1 3.45Å; F520-I534 HydrophobicContact CG-CD1 4.14Å; F520-I534 HydrophobicContact CZ-CD1 4.14Å; N523-I534 HydrophobicContact CB-CD1 4.2Å; I534-V576 HydrophobicContact CB-CG2 4.15Å; I534-V576 HydrophobicContact CG2-CG2 3.69Å; I534-V576 WeakPolarHBondContact O-CG2 3.46Å; I534-V576 PolarHBondContact O-N 2.9Å; I534-L613 HydrophobicContact CG2-CD2 4.47Å; I534-L615 HydrophobicContact CG1-CD2 3.83Å
535	V	96	Very high	91.9	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.024	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.5	179.1	171.4	0	0	0	0	108.9	E573 E574 I614 K616	V535-E573 HydrophobicContact CG1-CB 3.55Å; V535-E573 HydrophobicContact CG1-CG 3.74Å; V535-E574 CarbonylContact C-O 3.56Å; V535-E574 WeakPolarHBondContact CA-O 3.3Å; V535-I614 HydrophobicContact CB-CB 4.35Å; V535-I614 PolarHBondContact N-O 2.61Å; V535-I614 PolarHBondContact O-N 2.94Å; V535-K616 HydrophobicContact CG2-CD 4.29Å
536	A	97	Very high	92.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.4	174.7	0	0	0	0	0	111	E574 V576 L585 F611 Q612 L613	A536-E574 PolarHBondContact N-O 3.18Å; A536-E574 PolarHBondContact O-N 2.71Å; A536-V576 HydrophobicContact CB-CG1 3.87Å; A536-V576 HydrophobicContact CB-CG2 4.09Å; A536-L585 HydrophobicContact CB-CD1 3.94Å; A536-F611 HydrophobicContact CB-CE2 4.13Å; A536-F611 HydrophobicContact CB-CZ 4.3Å; A536-Q612 WeakPolarHBondContact CA-O 3.25Å; A536-L613 HydrophobicContact CB-CD2 4.45Å
537	T	95.8	Very high	92.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.5	164.6	75.2	0	0	0	0	109.7	L571 E573 F611 Q612 I614	T537-L571 HydrophobicContact CG2-CD2 3.99Å; T537-L571 HydrophobicContact CG2-CG 4.19Å; T537-E573 HydrophobicContact CG2-CG 3.84Å; T537-F611 WeakPolarHBondContact O-CA 3.39Å; T537-F611 VanDerWaalsContact O-CD2 3.27Å; T537-F611 WeakPolarHBondContact O-CD2 3.44Å; T537-Q612 PolarHBondContact N-O 2.66Å; T537-Q612 PolarHBondContact O-N 2.93Å; T537-Q612 WeakPolarHBondContact OG1-CB 3.4Å; T537-I614 HydrophobicContact CG2-CD1 4.01Å
538	F	95.7	Very high	92.5	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	121.1	175.8	-160.6	-167.4	0	0	0	109.8	L549 L550 L586 A609 F611	F538-L549 HydrophobicContact CB-CB 4.35Å; F538-L549 HydrophobicContact CD1-CB 4.26Å; F538-L549 HydrophobicContact CD1-CD1 4.12Å; F538-L549 HydrophobicContact CD2-CD1 3.89Å; F538-L549 HydrophobicContact CE1-CD1 4.14Å; F538-L549 HydrophobicContact CE2-CD1 3.93Å; F538-L549 HydrophobicContact CG-CB 4.24Å; F538-L549 HydrophobicContact CG-CD1 3.99Å; F538-L549 HydrophobicContact CZ-CD1 4.04Å; F538-L549 WeakPolarHBondContact O-CB 3.46Å; F538-L549 PolarHBondContact O-N 2.86Å; F538-L550 HydrophobicContact CB-CD1 4.27Å; F538-L550 HydrophobicContact CB-CD2 3.8Å; F538-L550 HydrophobicContact CB-CG 3.88Å; F538-L550 HydrophobicContact CD1-CD2 4.47Å; F538-L586 HydrophobicContact CE1-CD2 4.16Å; F538-L586 HydrophobicContact CZ-CD2 4.43Å; F538-A609 HydrophobicContact CE2-CB 4.05Å; F538-F611 HydrophobicContact CB-CD2 4.04Å; F538-F611 HydrophobicContact CD2-CB 3.79Å; F538-F611 HydrophobicContact CD2-CD2 4.1Å; F538-F611 HydrophobicContact CD2-CG 4.44Å; F538-F611 HydrophobicContact CE2-CB 3.96Å; F538-F611 HydrophobicContact CG-CD2 4Å
539	F	94.9	Very high	92.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.4	-179.6	59.4	-88.5	0	0	0	111.3	I541 V546 F547 I568 L571 V610 Q612 V686	F539-I541 HydrophobicContact CD2-CG1 4.39Å; F539-I541 HydrophobicContact CE2-CD1 4.45Å; F539-I541 HydrophobicContact CE2-CG1 4.33Å; F539-V546 HydrophobicContact CD2-CG1 3.73Å; F539-V546 HydrophobicContact CE2-CG1 4.32Å; F539-V546 HydrophobicContact CG-CG1 4.45Å; F539-F547 CarbonylContact C-O 3.54Å; F539-F547 VanDerWaalsContact CA-O 3.28Å; F539-F547 WeakPolarHBondContact CA-O 3.34Å; F539-F547 VanDerWaalsContact CB-O 3.3Å; F539-F547 WeakPolarHBondContact CB-O 3.35Å; F539-I568 HydrophobicContact CE1-CD1 3.9Å; F539-I568 HydrophobicContact CE2-CD1 3.8Å; F539-I568 HydrophobicContact CZ-CD1 3.41Å; F539-I568 VanDerWaalsContact CZ-CD1 3.41Å; F539-L571 HydrophobicContact CB-CD1 4.07Å; F539-L571 HydrophobicContact CD1-CD1 3.68Å; F539-L571 HydrophobicContact CD1-CD2 3.93Å; F539-L571 HydrophobicContact CE1-CD1 4.49Å; F539-L571 HydrophobicContact CE1-CD2 3.91Å; F539-L571 HydrophobicContact CG-CD1 4.19Å; F539-V610 HydrophobicContact CD1-CB 4.43Å; F539-V610 HydrophobicContact CD2-CB 4.07Å; F539-V610 HydrophobicContact CD2-CG2 4.49Å; F539-V610 HydrophobicContact CE1-CB 4.05Å; F539-V610 HydrophobicContact CE1-CG1 3.79Å; F539-V610 HydrophobicContact CE2-CB 3.65Å; F539-V610 HydrophobicContact CE2-CG1 3.98Å; F539-V610 HydrophobicContact CE2-CG2 3.93Å; F539-V610 HydrophobicContact CG-CB 4.46Å; F539-V610 HydrophobicContact CZ-CB 3.64Å; F539-V610 HydrophobicContact CZ-CG1 3.44Å; F539-V610 VanDerWaalsContact CZ-CG1 3.44Å; F539-V610 HydrophobicContact CZ-CG2 4.26Å; F539-V610 PolarHBondContact N-O 3.12Å; F539-V610 VanDerWaalsContact N-O 3.08Å; F539-V610 PolarHBondContact O-N 3.28Å; F539-Q612 HydrophobicContact CE1-CG 4.31Å; F539-V686 HydrophobicContact CE2-CG1 4Å; F539-V686 HydrophobicContact CE2-CG2 4.43Å; F539-V686 HydrophobicContact CZ-CG1 3.76Å
540	E	93.9	Very high	93.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.3	171.2	68.5	-179	165	0	0	112.1	V546 F547 L549 K553 R593 T594 S607 H608	E540-V546 WeakPolarHBondContact O-CA 3.39Å; E540-F547 HydrophobicContact CG-CB 4.09Å; E540-F547 PolarHBondContact N-O 3.06Å; E540-F547 PolarHBondContact O-N 2.99Å; E540-L549 HydrophobicContact CB-CD1 4.28Å; E540-L549 HydrophobicContact CB-CD2 4.34Å; E540-L549 HydrophobicContact CB-CG 4.41Å; E540-L549 HydrophobicContact CG-CD2 3.93Å; E540-L549 HydrophobicContact CG-CG 4.43Å; E540-K553 WeakPolarHBondContact OE1-CE 3.38Å; E540-K553 IonicContact OE1-NZ 3.6Å; E540-K553 PolarHBondContact OE1-NZ 3.01Å; E540-R593 WeakPolarHBondContact OE2-CG 3.36Å; E540-T594 WeakPolarHBondContact OE1-CB 3.32Å; E540-T594 PolarHBondContact OE1-N 3.24Å; E540-T594 PolarHBondContact OE1-OG1 3.03Å; E540-T594 WeakPolarHBondContact OE2-CB 3.23Å; E540-T594 PolarHBondContact OE2-N 3.42Å; E540-T594 PolarHBondContact OE2-OG1 2.89Å; E540-S607 WeakPolarHBondContact OE2-CB 3.36Å; E540-S607 PolarHBondContact OE2-OG 3.36Å; E540-H608 CarbonylContact C-O 3.58Å; E540-H608 VanDerWaalsContact CA-O 3.3Å; E540-H608 WeakPolarHBondContact CA-O 3.09Å
541	I	93.2	Very high	93.3	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.036	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.8	169.9	-50	-178.3	0	0	0	107	F539 K545 V546 H608 V610 K682 L683 V686	F539-I541 HydrophobicContact CD2-CG1 4.39Å; F539-I541 HydrophobicContact CE2-CD1 4.45Å; F539-I541 HydrophobicContact CE2-CG1 4.33Å; I541-K545 WeakPolarHBondContact CA-O 3.27Å; I541-V546 HydrophobicContact CG1-CG2 4.19Å; I541-V546 HydrophobicContact CG2-CG2 4.38Å; I541-H608 HydrophobicContact CB-CB 4.34Å; I541-H608 PolarHBondContact N-O 3.45Å; I541-H608 PolarHBondContact O-N 2.82Å; I541-V610 HydrophobicContact CD1-CG2 4.48Å; I541-K682 HydrophobicContact CG2-CB 4.07Å; I541-L683 HydrophobicContact CD1-CB 4.3Å; I541-L683 HydrophobicContact CD1-CD1 4.19Å; I541-V686 HydrophobicContact CD1-CB 4.4Å; I541-V686 HydrophobicContact CD1-CG2 4.18Å
542	Y	90.4	Very high	93.3	Very high	34 Å²	34	28.7 Å²	28.7	13%	0.133	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	128.2	-168	171.8	-106.4	0	0	0	110	G544 K545 F547 T594 H647 E651	Y542-G544 PolarHBondContact O-N 3.05Å; Y542-K545 PolarHBondContact N-O 3.23Å; Y542-K545 CarbonylContact O-C 3.53Å; Y542-K545 PolarHBondContact O-N 3.43Å; Y542-K545 VanDerWaalsContact O-O 3.09Å; Y542-F547 AromaticContact CD1-CE2 3.97Å; Y542-F547 HydrophobicContact CD1-CE2 3.97Å; Y542-T594 HydrophobicContact CD2-CG2 4.14Å; Y542-T594 HydrophobicContact CE1-CG2 4.43Å; Y542-T594 HydrophobicContact CE2-CG2 3.81Å; Y542-H647 PolarHBondContact OH-CE1 2.93Å; Y542-H647 VanDerWaalsContact OH-CE1 3.24Å; Y542-H647 PolarHBondContact OH-NE2 3.4Å; Y542-H647 VanDerWaalsContact OH-NE2 3.12Å; Y542-E651 HydrophobicContact CE2-CG 3.91Å; Y542-E651 WeakPolarHBondContact CE2-OE1 3.49Å; Y542-E651 VanDerWaalsContact CZ-OE1 3.25Å; Y542-E651 PolarHBondContact OH-OE1 3.21Å
543	S	86.5	Confident	93.2	Very high	46 Å²	46	31.4 Å²	31.4	32%	0.322	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.5	59.9	-177.7	-155.8	0	0	0	0	113.6	K545	S543-K545 PolarHBondContact O-N 3.39Å
544	G	87.1	Confident	93.2	Very high	30 Å²	30	29.1 Å²	29.1	31%	0.309	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	-11.9	-177	0	0	0	0	0	116.9	Y542 E654 K682	Y542-G544 PolarHBondContact O-N 3.05Å; G544-E654 VanDerWaalsContact CA-OE2 3.27Å; G544-E654 WeakPolarHBondContact CA-OE2 3.41Å; G544-E654 PolarHBondContact N-OE2 2.98Å; G544-K682 WeakPolarHBondContact O-CG 3.48Å
545	K	91.5	Very high	93.1	Very high	78 Å²	78	34 Å²	34	34%	0.339	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	161.8	-171.2	-64.8	169.1	-171.1	-177.3	0	110.5	I541 Y542 S543 F547 E855	I541-K545 WeakPolarHBondContact CA-O 3.27Å; Y542-K545 PolarHBondContact N-O 3.23Å; Y542-K545 CarbonylContact O-C 3.53Å; Y542-K545 PolarHBondContact O-N 3.43Å; Y542-K545 VanDerWaalsContact O-O 3.09Å; S543-K545 PolarHBondContact O-N 3.39Å; K545-F547 HydrophobicContact CB-CE2 3.62Å; K545-F547 HydrophobicContact CB-CZ 3.66Å; K545-E855 IonicContact NZ-OE1 3.31Å; K545-E855 PolarHBondContact NZ-OE1 2.69Å; K545-E855 IonicContact NZ-OE2 2.81Å; K545-E855 PolarHBondContact NZ-OE2 3.34Å
546	V	94.6	Very high	93.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.1	-176.2	-175.9	0	0	0	0	109.7	F539 E540 I541 L556 V558 K682	F539-V546 HydrophobicContact CD2-CG1 3.73Å; F539-V546 HydrophobicContact CE2-CG1 4.32Å; F539-V546 HydrophobicContact CG-CG1 4.45Å; E540-V546 WeakPolarHBondContact O-CA 3.39Å; I541-V546 HydrophobicContact CG1-CG2 4.19Å; I541-V546 HydrophobicContact CG2-CG2 4.38Å; V546-L556 HydrophobicContact CB-CB 4.31Å; V546-L556 HydrophobicContact CG1-CB 4.21Å; V546-L556 HydrophobicContact CG1-CD1 4.32Å; V546-L556 PolarHBondContact O-N 2.99Å; V546-V558 HydrophobicContact CB-CG2 4.32Å; V546-V558 HydrophobicContact CG2-CG2 3.65Å; V546-K682 HydrophobicContact CG2-CB 4.25Å; V546-K682 HydrophobicContact CG2-CG 4.48Å
547	F	94.4	Very high	92.9	Very high	38 Å²	38	42.5 Å²	42.5	17%	0.167	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.5	-172.3	-57.6	-85.3	0	0	0	112.2	F539 E540 Y542 K545 K553 A554 K555	F539-F547 CarbonylContact C-O 3.54Å; F539-F547 VanDerWaalsContact CA-O 3.28Å; F539-F547 WeakPolarHBondContact CA-O 3.34Å; F539-F547 VanDerWaalsContact CB-O 3.3Å; F539-F547 WeakPolarHBondContact CB-O 3.35Å; E540-F547 HydrophobicContact CG-CB 4.09Å; E540-F547 PolarHBondContact N-O 3.06Å; E540-F547 PolarHBondContact O-N 2.99Å; Y542-F547 AromaticContact CD1-CE2 3.97Å; Y542-F547 HydrophobicContact CD1-CE2 3.97Å; K545-F547 HydrophobicContact CB-CE2 3.62Å; K545-F547 HydrophobicContact CB-CZ 3.66Å; F547-K553 HydrophobicContact CB-CB 4.14Å; F547-K553 HydrophobicContact CB-CG 4.38Å; F547-K553 HydrophobicContact CD1-CB 4.38Å; F547-A554 WeakPolarHBondContact CA-O 3.31Å; F547-K555 HydrophobicContact CD1-CB 4.4Å; F547-K555 HydrophobicContact CE1-CB 4.21Å; F547-K555 HydrophobicContact CE1-CG 4.45Å
548	D	95.8	Very high	92.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	118.7	-179.6	-164.4	-43.9	0	0	0	112.3	L550 N551 K553 A554 L556 R572	D548-L550 WeakPolarHBondContact OD1-CA 3.48Å; D548-L550 WeakPolarHBondContact OD1-CB 3.27Å; D548-L550 PolarHBondContact OD1-N 3.37Å; D548-N551 HydrophobicContact CB-CB 3.87Å; D548-N551 VanDerWaalsContact CG-CB 3.48Å; D548-N551 CarbonylContact O-C 3.55Å; D548-N551 PolarHBondContact OD1-N 2.6Å; D548-K553 WeakPolarHBondContact O-CA 3.44Å; D548-K553 PolarHBondContact O-N 3.24Å; D548-A554 HydrophobicContact CB-CB 4.2Å; D548-A554 PolarHBondContact N-O 3.33Å; D548-L556 HydrophobicContact CB-CD1 3.99Å; D548-L556 HydrophobicContact CB-CD2 4.14Å; D548-L556 HydrophobicContact CB-CG 4.16Å; D548-R572 WeakPolarHBondContact OD2-CB 3.23Å; D548-R572 PolarHBondContact OD2-N 3.12Å
549	L	93.8	Very high	92.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.7	179.7	-62.8	177	0	0	0	113.1	F538 E540 I592 R593	F538-L549 HydrophobicContact CB-CB 4.35Å; F538-L549 HydrophobicContact CD1-CB 4.26Å; F538-L549 HydrophobicContact CD1-CD1 4.12Å; F538-L549 HydrophobicContact CD2-CD1 3.89Å; F538-L549 HydrophobicContact CE1-CD1 4.14Å; F538-L549 HydrophobicContact CE2-CD1 3.93Å; F538-L549 HydrophobicContact CG-CB 4.24Å; F538-L549 HydrophobicContact CG-CD1 3.99Å; F538-L549 HydrophobicContact CZ-CD1 4.04Å; F538-L549 WeakPolarHBondContact O-CB 3.46Å; F538-L549 PolarHBondContact O-N 2.86Å; E540-L549 HydrophobicContact CB-CD1 4.28Å; E540-L549 HydrophobicContact CB-CD2 4.34Å; E540-L549 HydrophobicContact CB-CG 4.41Å; E540-L549 HydrophobicContact CG-CD2 3.93Å; E540-L549 HydrophobicContact CG-CG 4.43Å; L549-I592 HydrophobicContact CD2-CB 4.5Å; L549-I592 HydrophobicContact CD2-CG2 3.9Å; L549-R593 HydrophobicContact CD1-CB 4.34Å; L549-R593 HydrophobicContact CD2-CB 4.21Å
550	L	93.6	Very high	92.2	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-10.7	174	-50.9	-174.1	0	0	0	112.1	F538 D548 R572 E574 L585	F538-L550 HydrophobicContact CB-CD1 4.27Å; F538-L550 HydrophobicContact CB-CD2 3.8Å; F538-L550 HydrophobicContact CB-CG 3.88Å; F538-L550 HydrophobicContact CD1-CD2 4.47Å; D548-L550 WeakPolarHBondContact OD1-CA 3.48Å; D548-L550 WeakPolarHBondContact OD1-CB 3.27Å; D548-L550 PolarHBondContact OD1-N 3.37Å; L550-R572 HydrophobicContact CB-CB 4.48Å; L550-R572 WeakPolarHBondContact O-CD 3.44Å; L550-R572 PolarHBondContact O-NH1 3.17Å; L550-E574 HydrophobicContact CD1-CB 4.46Å; L550-E574 HydrophobicContact CD1-CG 3.99Å; L550-L585 HydrophobicContact CD1-CD2 4.45Å; L550-L585 HydrophobicContact CD2-CB 4.13Å; L550-L585 HydrophobicContact CD2-CD2 4.04Å
551	N	92.9	Very high	91.9	Very high	71 Å²	71	52 Å²	52	38%	0.38	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	51	178.9	-162.4	15.7	0	0	0	112.2	D548 K553 A554 R572	D548-N551 HydrophobicContact CB-CB 3.87Å; D548-N551 VanDerWaalsContact CG-CB 3.48Å; D548-N551 CarbonylContact O-C 3.55Å; D548-N551 PolarHBondContact OD1-N 2.6Å; N551-K553 VanDerWaalsContact C-N 3.29Å; N551-K553 PolarHBondContact O-N 2.91Å; N551-K553 VanDerWaalsContact O-N 3.1Å; N551-A554 HydrophobicContact CB-CB 4.29Å; N551-A554 WeakPolarHBondContact O-CB 3.32Å; N551-A554 PolarHBondContact O-N 3.17Å; N551-R572 HydrophobicContact CB-CB 4.24Å
552	K	90.1	Very high	91.5	Very high	183 Å²	183	57.2 Å²	57.2	80%	0.796	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	35.4	168.7	-55.5	-179.3	-179.8	178.7	0	115.4
553	K	90.2	Very high	91.1	Very high	71 Å²	71	63.7 Å²	63.7	31%	0.309	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	41.7	-171.7	-60.1	-170.7	-174.5	173.4	0	114.8	E540 F547 D548 N551 K555 I592 T594	E540-K553 WeakPolarHBondContact OE1-CE 3.38Å; E540-K553 IonicContact OE1-NZ 3.6Å; E540-K553 PolarHBondContact OE1-NZ 3.01Å; F547-K553 HydrophobicContact CB-CB 4.14Å; F547-K553 HydrophobicContact CB-CG 4.38Å; F547-K553 HydrophobicContact CD1-CB 4.38Å; D548-K553 WeakPolarHBondContact O-CA 3.44Å; D548-K553 PolarHBondContact O-N 3.24Å; N551-K553 VanDerWaalsContact C-N 3.29Å; N551-K553 PolarHBondContact O-N 2.91Å; N551-K553 VanDerWaalsContact O-N 3.1Å; K553-K555 PolarHBondContact O-N 2.79Å; K553-I592 HydrophobicContact CD-CG2 4.29Å; K553-I592 WeakPolarHBondContact CE-O 2.81Å; K553-I592 HydrophobicContact CG-CG2 3.67Å; K553-I592 PolarHBondContact NZ-O 2.64Å; K553-T594 PolarHBondContact NZ-OG1 2.96Å
554	A	93.5	Very high	90.7	Very high	32 Å²	32	62 Å²	62	26%	0.264	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	125.1	164.4	0	0	0	0	0	110.6	F547 D548 N551 L556	F547-A554 WeakPolarHBondContact CA-O 3.31Å; D548-A554 HydrophobicContact CB-CB 4.2Å; D548-A554 PolarHBondContact N-O 3.33Å; N551-A554 HydrophobicContact CB-CB 4.29Å; N551-A554 WeakPolarHBondContact O-CB 3.32Å; N551-A554 PolarHBondContact O-N 3.17Å; A554-L556 HydrophobicContact CB-CD2 4.42Å; A554-L556 WeakPolarHBondContact O-CG 3.29Å; A554-L556 PolarHBondContact O-N 2.87Å
555	K	95.1	Very high	90.4	Very high	107 Å²	107	65.7 Å²	65.7	47%	0.465	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	109.3	176.9	179.6	179.8	173.9	-179	0	108.6	F547 K553 E855 D859	F547-K555 HydrophobicContact CD1-CB 4.4Å; F547-K555 HydrophobicContact CE1-CB 4.21Å; F547-K555 HydrophobicContact CE1-CG 4.45Å; K553-K555 PolarHBondContact O-N 2.79Å; K555-E855 IonicContact NZ-OE2 3.37Å; K555-D859 IonicContact NZ-OD2 3.16Å; K555-D859 PolarHBondContact NZ-OD2 3.1Å
556	L	95.2	Very high	90.2	Very high	16 Å²	16	62.9 Å²	62.9	8%	0.084	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	151.2	-175.3	-57.6	-172.7	0	0	0	112.1	V546 D548 A554 I568 G570 L571	V546-L556 HydrophobicContact CB-CB 4.31Å; V546-L556 HydrophobicContact CG1-CB 4.21Å; V546-L556 HydrophobicContact CG1-CD1 4.32Å; V546-L556 PolarHBondContact O-N 2.99Å; D548-L556 HydrophobicContact CB-CD1 3.99Å; D548-L556 HydrophobicContact CB-CD2 4.14Å; D548-L556 HydrophobicContact CB-CG 4.16Å; A554-L556 HydrophobicContact CB-CD2 4.42Å; A554-L556 WeakPolarHBondContact O-CG 3.29Å; A554-L556 PolarHBondContact O-N 2.87Å; L556-I568 HydrophobicContact CB-CG2 3.85Å; L556-I568 HydrophobicContact CD1-CG2 3.61Å; L556-I568 HydrophobicContact CG-CG2 4.37Å; L556-G570 VanDerWaalsContact CD2-C 3.46Å; L556-G570 WeakPolarHBondContact CD2-O 3.37Å; L556-L571 HydrophobicContact CD1-CB 3.89Å; L556-L571 HydrophobicContact CD1-CD1 3.7Å; L556-L571 HydrophobicContact CD1-CG 4.39Å
557	R	93.6	Very high	89.9	Confident	167 Å²	167	67.6 Å²	67.6	63%	0.63	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	119	176.7	-65	-174.3	-64.5	165.3	0.1	110.7	V569	R557-V569 HydrophobicContact CB-CB 4.4Å; R557-V569 PolarHBondContact N-O 3.33Å; R557-V569 PolarHBondContact O-N 2.9Å
558	V	92.4	Very high	89.8	Confident	13 Å²	13	67.3 Å²	67.3	8%	0.079	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.8	173.1	-177.1	0	0	0	0	109.1	V546 V566 I568 K682 Q685 V686	V546-V558 HydrophobicContact CB-CG2 4.32Å; V546-V558 HydrophobicContact CG2-CG2 3.65Å; V558-V566 HydrophobicContact CG1-CG1 3.48Å; V558-V566 VanDerWaalsContact CG1-CG1 3.48Å; V558-I568 HydrophobicContact CG2-CG1 4.46Å; V558-K682 HydrophobicContact CB-CD 4.13Å; V558-K682 HydrophobicContact CG1-CD 4.43Å; V558-K682 HydrophobicContact CG2-CD 4.36Å; V558-K682 PolarHBondContact O-NZ 2.97Å; V558-Q685 HydrophobicContact CG1-CB 4.2Å; V558-V686 HydrophobicContact CG2-CG2 4.41Å
559	L	90.7	Very high	89.7	Confident	91 Å²	91	70.1 Å²	70.1	48%	0.476	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	162.6	177.4	-56.6	-177	0	0	0	110.4	V566 Q567 V569	L559-V566 CarbonylContact O-C 3.58Å; L559-V566 WeakPolarHBondContact O-CA 3.33Å; L559-Q567 PolarHBondContact N-O 3.07Å; L559-Q567 PolarHBondContact O-N 2.82Å; L559-V569 HydrophobicContact CD1-CG2 3.8Å; L559-V569 HydrophobicContact CG-CG2 4.16Å
560	E	87.5	Confident	89.6	Confident	56 Å²	56	72.6 Å²	72.6	26%	0.262	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.5	175.1	-168.6	179.9	155.3	0	0	108.4	G564 Q565 V566 R679 R688	E560-G564 WeakPolarHBondContact OE1-CA 3.26Å; E560-Q565 WeakPolarHBondContact CA-O 3.28Å; E560-V566 HydrophobicContact CB-CG2 4.33Å; E560-V566 HydrophobicContact CG-CG2 4.03Å; E560-R679 IonicContact OE1-CZ 2.68Å; E560-R679 IonicContact OE1-NE 2.82Å; E560-R679 IonicContact OE1-NH2 3.77Å; E560-R679 PolarHBondContact OE1-NH2 3.17Å; E560-R679 IonicContact OE2-CZ 3.75Å; E560-R679 VanDerWaalsContact OE2-CZ 3.31Å; E560-R679 IonicContact OE2-NE 3.03Å; E560-R679 PolarHBondContact OE2-NE 2.93Å; E560-R679 IonicContact OE2-NH2 3.31Å; E560-R679 PolarHBondContact OE2-NH2 3.43Å; E560-R688 IonicContact OE1-CZ 3.19Å; E560-R688 IonicContact OE1-NE 3.88Å
561	D	87.5	Confident	89.7	Confident	45 Å²	45	74 Å²	74	24%	0.241	39%	0.387	C	S	.	.			trans	-85.1	173.9	-178.8	84	-7	0	0	0	112.8	K563 G564 Q565	D561-K563 PolarHBondContact O-N 2.98Å; D561-K563 VanDerWaalsContact OD1-CA 3.31Å; D561-K563 WeakPolarHBondContact OD1-CA 3.43Å; D561-K563 VanDerWaalsContact OD1-CB 3.3Å; D561-K563 WeakPolarHBondContact OD1-CB 3.34Å; D561-K563 PolarHBondContact OD1-N 2.85Å; D561-G564 PolarHBondContact O-N 2.91Å; D561-G564 PolarHBondContact OD1-N 3.08Å; D561-G564 VanDerWaalsContact OD1-N 3.12Å; D561-Q565 PolarHBondContact N-O 2.76Å; D561-Q565 WeakPolarHBondContact OD1-CB 3.05Å; D561-Q565 PolarHBondContact OD1-N 3.26Å
562	A	86	Confident	89.8	Confident	117 Å²	117	75.5 Å²	75.5	97%	0.967	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-3.3	178.7	0	0	0	0	0	114.7
563	K	81.8	Confident	90	Very high	170 Å²	170	71.2 Å²	71.2	74%	0.739	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	0.9	174	-56.4	165.8	-175.3	162.8	0	111.8	D561 Q565	D561-K563 PolarHBondContact O-N 2.98Å; D561-K563 VanDerWaalsContact OD1-CA 3.31Å; D561-K563 WeakPolarHBondContact OD1-CA 3.43Å; D561-K563 VanDerWaalsContact OD1-CB 3.3Å; D561-K563 WeakPolarHBondContact OD1-CB 3.34Å; D561-K563 PolarHBondContact OD1-N 2.85Å; K563-Q565 VanDerWaalsContact C-N 3.34Å; K563-Q565 HydrophobicContact CB-CG 4.32Å
564	G	77.3	Confident	90.2	Very high	11 Å²	11	70.4 Å²	70.4	11%	0.113	37%	0.368	C	S	.	.	S	Bend	trans	75.4	17.7	-174.5	0	0	0	0	0	114.1	E560 D561 R688	E560-G564 WeakPolarHBondContact OE1-CA 3.26Å; D561-G564 PolarHBondContact O-N 2.91Å; D561-G564 PolarHBondContact OD1-N 3.08Å; D561-G564 VanDerWaalsContact OD1-N 3.12Å; G564-R688 WeakPolarHBondContact O-CD 3.42Å; G564-R688 PolarHBondContact O-NH1 2.86Å
565	Q	81.4	Confident	90.3	Very high	108 Å²	108	73.6 Å²	73.6	51%	0.505	38%	0.377	S	S	.	.			trans	-85.3	129.5	174.7	-60.2	-169.4	-15.1	0	0	109.5	E560 D561 K563	E560-Q565 WeakPolarHBondContact CA-O 3.28Å; D561-Q565 PolarHBondContact N-O 2.76Å; D561-Q565 WeakPolarHBondContact OD1-CB 3.05Å; D561-Q565 PolarHBondContact OD1-N 3.26Å; K563-Q565 VanDerWaalsContact C-N 3.34Å; K563-Q565 HydrophobicContact CB-CG 4.32Å
566	V	87.6	Confident	90.3	Very high	18 Å²	18	68.6 Å²	68.6	11%	0.109	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.4	-177.3	175.6	0	0	0	0	109.8	V558 L559 E560 Q685 R688	V558-V566 HydrophobicContact CG1-CG1 3.48Å; V558-V566 VanDerWaalsContact CG1-CG1 3.48Å; L559-V566 CarbonylContact O-C 3.58Å; L559-V566 WeakPolarHBondContact O-CA 3.33Å; E560-V566 HydrophobicContact CB-CG2 4.33Å; E560-V566 HydrophobicContact CG-CG2 4.03Å; V566-Q685 HydrophobicContact CG1-CB 4.38Å; V566-Q685 WeakPolarHBondContact CG2-O 3.19Å; V566-R688 HydrophobicContact CG2-CB 4.14Å
567	Q	87.7	Confident	90.1	Very high	102 Å²	102	74.1 Å²	74.1	48%	0.477	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.2	-176.3	-57.9	-172.8	23.1	0	0	110.1	L559	L559-Q567 PolarHBondContact N-O 3.07Å; L559-Q567 PolarHBondContact O-N 2.82Å
568	I	92.7	Very high	90.1	Very high	32 Å²	32	68 Å²	68	16%	0.164	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	95.6	178.4	-49.9	179.3	0	0	0	107.8	F539 L556 V558 G570 L571 V686	F539-I568 HydrophobicContact CE1-CD1 3.9Å; F539-I568 HydrophobicContact CE2-CD1 3.8Å; F539-I568 HydrophobicContact CZ-CD1 3.41Å; F539-I568 VanDerWaalsContact CZ-CD1 3.41Å; L556-I568 HydrophobicContact CB-CG2 3.85Å; L556-I568 HydrophobicContact CD1-CG2 3.61Å; L556-I568 HydrophobicContact CG-CG2 4.37Å; V558-I568 HydrophobicContact CG2-CG1 4.46Å; I568-G570 PolarHBondContact O-N 2.94Å; I568-L571 HydrophobicContact CB-CB 4.18Å; I568-L571 HydrophobicContact CB-CD2 4.31Å; I568-L571 HydrophobicContact CD1-CD2 4.27Å; I568-L571 HydrophobicContact CG2-CB 4.02Å; I568-L571 WeakPolarHBondContact O-CB 3.36Å; I568-L571 PolarHBondContact O-N 2.92Å; I568-V686 HydrophobicContact CD1-CG1 4.28Å; I568-V686 HydrophobicContact CD1-CG2 3.88Å; I568-V686 HydrophobicContact CG1-CG2 4.42Å
569	V	93	Very high	90.2	Very high	59 Å²	59	69.2 Å²	69.2	36%	0.358	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124	-175.1	-178.3	0	0	0	0	110.1	R557 L559	R557-V569 HydrophobicContact CB-CB 4.4Å; R557-V569 PolarHBondContact N-O 3.33Å; R557-V569 PolarHBondContact O-N 2.9Å; L559-V569 HydrophobicContact CD1-CG2 3.8Å; L559-V569 HydrophobicContact CG-CG2 4.16Å
570	G	92.5	Very high	90.3	Very high	52 Å²	52	69.4 Å²	69.4	54%	0.536	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-0.4	-179.3	0	0	0	0	0	115	L556 I568 R572	L556-G570 VanDerWaalsContact CD2-C 3.46Å; L556-G570 WeakPolarHBondContact CD2-O 3.37Å; I568-G570 PolarHBondContact O-N 2.94Å; G570-R572 PolarHBondContact O-N 3.11Å
571	L	94.7	Very high	90.6	Very high	34 Å²	34	69 Å²	69	18%	0.178	38%	0.38	C	S	.	.			trans	-63	126	175.9	-179	60.7	0	0	0	110.7	T537 F539 L556 I568	T537-L571 HydrophobicContact CG2-CD2 3.99Å; T537-L571 HydrophobicContact CG2-CG 4.19Å; F539-L571 HydrophobicContact CB-CD1 4.07Å; F539-L571 HydrophobicContact CD1-CD1 3.68Å; F539-L571 HydrophobicContact CD1-CD2 3.93Å; F539-L571 HydrophobicContact CE1-CD1 4.49Å; F539-L571 HydrophobicContact CE1-CD2 3.91Å; F539-L571 HydrophobicContact CG-CD1 4.19Å; L556-L571 HydrophobicContact CD1-CB 3.89Å; L556-L571 HydrophobicContact CD1-CD1 3.7Å; L556-L571 HydrophobicContact CD1-CG 4.39Å; I568-L571 HydrophobicContact CB-CB 4.18Å; I568-L571 HydrophobicContact CB-CD2 4.31Å; I568-L571 HydrophobicContact CD1-CD2 4.27Å; I568-L571 HydrophobicContact CG2-CB 4.02Å; I568-L571 WeakPolarHBondContact O-CB 3.36Å; I568-L571 PolarHBondContact O-N 2.92Å
572	R	94.8	Very high	90.9	Very high	102 Å²	102	66.9 Å²	66.9	39%	0.385	37%	0.368	S	S	.	.			trans	-75.3	127.1	177.8	-172.3	174.4	175.7	-175	-1.9	111	D548 L550 N551 G570 E574	D548-R572 WeakPolarHBondContact OD2-CB 3.23Å; D548-R572 PolarHBondContact OD2-N 3.12Å; L550-R572 HydrophobicContact CB-CB 4.48Å; L550-R572 WeakPolarHBondContact O-CD 3.44Å; L550-R572 PolarHBondContact O-NH1 3.17Å; N551-R572 HydrophobicContact CB-CB 4.24Å; G570-R572 PolarHBondContact O-N 3.11Å; R572-E574 HydrophobicContact CG-CG 4.44Å; R572-E574 IonicContact CZ-OE1 3.35Å; R572-E574 IonicContact NE-OE1 2.64Å; R572-E574 PolarHBondContact NE-OE1 3.1Å; R572-E574 IonicContact NH2-OE1 2.85Å; R572-E574 PolarHBondContact NH2-OE1 3.26Å; R572-E574 IonicContact NH2-OE2 3.23Å; R572-E574 PolarHBondContact NH2-OE2 3.16Å
573	E	95.3	Very high	91.2	Very high	92 Å²	92	62.9 Å²	62.9	43%	0.43	33%	0.33	S	S	.	.			trans	-106.1	114.5	174.4	-79.6	-168.1	171	0	0	109.7	V535 T537 K616	V535-E573 HydrophobicContact CG1-CB 3.55Å; V535-E573 HydrophobicContact CG1-CG 3.74Å; T537-E573 HydrophobicContact CG2-CG 3.84Å; E573-K616 WeakPolarHBondContact OE1-CE 3.44Å; E573-K616 IonicContact OE1-NZ 3.47Å; E573-K616 PolarHBondContact OE1-NZ 3.29Å; E573-K616 IonicContact OE2-NZ 3.59Å; E573-K616 PolarHBondContact OE2-NZ 3.05Å
574	E	94.3	Very high	91.7	Very high	55 Å²	55	61.5 Å²	61.5	26%	0.257	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126	175.9	-68.8	-69.9	113.1	0	0	110.1	V535 A536 L550 R572 L585	V535-E574 CarbonylContact C-O 3.56Å; V535-E574 WeakPolarHBondContact CA-O 3.3Å; A536-E574 PolarHBondContact N-O 3.18Å; A536-E574 PolarHBondContact O-N 2.71Å; L550-E574 HydrophobicContact CD1-CB 4.46Å; L550-E574 HydrophobicContact CD1-CG 3.99Å; R572-E574 HydrophobicContact CG-CG 4.44Å; R572-E574 IonicContact CZ-OE1 3.35Å; R572-E574 IonicContact NE-OE1 2.64Å; R572-E574 PolarHBondContact NE-OE1 3.1Å; R572-E574 IonicContact NH2-OE1 2.85Å; R572-E574 PolarHBondContact NH2-OE1 3.26Å; R572-E574 IonicContact NH2-OE2 3.23Å; R572-E574 PolarHBondContact NH2-OE2 3.16Å; E574-L585 HydrophobicContact CB-CD1 3.88Å; E574-L585 HydrophobicContact CB-CD2 4.41Å; E574-L585 HydrophobicContact CG-CD1 4.44Å; E574-L585 HydrophobicContact CG-CD2 4.12Å
575	E	94.8	Very high	92.4	Very high	99 Å²	99	62.2 Å²	62.2	46%	0.463	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.8	175	-172.2	157.9	-177.3	0	0	110	R533	R533-E575 VanDerWaalsContact CB-OE1 3.25Å; R533-E575 WeakPolarHBondContact CB-OE1 3.43Å; R533-E575 WeakPolarHBondContact CD-OE1 3.42Å; R533-E575 WeakPolarHBondContact CD-OE2 3.4Å
576	V	95.5	Very high	92.9	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.012	30%	0.302	C	S	.	.			trans	-119.1	122.8	-171.3	-71.4	0	0	0	0	111.3	F520 I534 A536 C581 V582 L585	F520-V576 VanDerWaalsContact CE1-O 3.28Å; F520-V576 WeakPolarHBondContact CE1-O 3.48Å; F520-V576 HydrophobicContact CZ-CB 4.15Å; F520-V576 HydrophobicContact CZ-CG2 4Å; F520-V576 WeakPolarHBondContact CZ-O 3.5Å; I534-V576 HydrophobicContact CB-CG2 4.15Å; I534-V576 HydrophobicContact CG2-CG2 3.69Å; I534-V576 WeakPolarHBondContact O-CG2 3.46Å; I534-V576 PolarHBondContact O-N 2.9Å; A536-V576 HydrophobicContact CB-CG1 3.87Å; A536-V576 HydrophobicContact CB-CG2 4.09Å; V576-C581 HydrophobicContact CB-CB 4.2Å; V576-C581 HydrophobicContact CG1-CB 4.08Å; V576-V582 HydrophobicContact CB-CG2 3.98Å; V576-V582 HydrophobicContact CG1-CG2 4.05Å; V576-V582 HydrophobicContact CG2-CG2 3.91Å; V576-L585 HydrophobicContact CG1-CD1 3.54Å
577	N	92.1	Very high	93	Very high	131 Å²	131	61.5 Å²	61.5	70%	0.701	32%	0.321	S	S	*	.			trans	-106.5	-11	-173.8	-65.9	-37.1	0	0	0	114	F520	F520-N577 VanDerWaalsContact CE1-C 3.5Å
578	S	93.3	Very high	93	Very high	38 Å²	38	60.7 Å²	60.7	27%	0.266	32%	0.317	S	S	.	.	S	Bend	trans	-146.8	167.9	171.9	84.8	0	0	0	0	112.3	F520 D580 C581 V582	F520-S578 WeakPolarHBondContact CE2-O 3.47Å; F520-S578 WeakPolarHBondContact CZ-O 3.42Å; S578-D580 PolarHBondContact O-N 2.81Å; S578-D580 WeakPolarHBondContact OG-CB 3.42Å; S578-D580 PolarHBondContact OG-N 2.91Å; S578-D580 VanDerWaalsContact OG-N 3.15Å; S578-D580 PolarHBondContact OG-OD2 2.91Å; S578-C581 WeakPolarHBondContact O-CB 3.39Å; S578-C581 PolarHBondContact O-N 2.95Å; S578-C581 PolarHBondContact OG-N 3.4Å; S578-V582 PolarHBondContact O-N 3.33Å
579	V	93.3	Very high	92.8	Very high	40 Å²	40	59.1 Å²	59.1	24%	0.242	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-35.5	171.9	-176.8	0	0	0	0	110.9	A517 F520 C581 V582 L583	A517-V579 HydrophobicContact CB-CG2 4.09Å; F520-V579 HydrophobicContact CD2-CG2 3.74Å; F520-V579 HydrophobicContact CE2-CG2 4.4Å; F520-V579 HydrophobicContact CG-CG2 4.47Å; V579-C581 VanDerWaalsContact C-N 3.33Å; V579-C581 PolarHBondContact O-N 2.88Å; V579-V582 CarbonylContact O-C 3.55Å; V579-V582 WeakPolarHBondContact O-CA 3.15Å; V579-V582 WeakPolarHBondContact O-CB 3.47Å; V579-V582 PolarHBondContact O-N 2.99Å; V579-V582 VanDerWaalsContact O-N 3.09Å; V579-L583 HydrophobicContact CG1-CD1 4.13Å; V579-L583 HydrophobicContact CG1-CG 4.26Å; V579-L583 WeakPolarHBondContact O-CG 3.35Å; V579-L583 PolarHBondContact O-N 2.89Å
580	D	93.1	Very high	92.4	Very high	95 Å²	95	58.1 Å²	58.1	51%	0.508	31%	0.307	S	S	.	.	H	α-helix	trans	-65.6	-33.9	178.3	-42.5	-81.8	0	0	0	112.9	S578 V582 L583 K584	S578-D580 PolarHBondContact O-N 2.81Å; S578-D580 WeakPolarHBondContact OG-CB 3.42Å; S578-D580 PolarHBondContact OG-N 2.91Å; S578-D580 VanDerWaalsContact OG-N 3.15Å; S578-D580 PolarHBondContact OG-OD2 2.91Å; D580-V582 VanDerWaalsContact C-N 3.34Å; D580-L583 PolarHBondContact O-N 2.87Å; D580-K584 WeakPolarHBondContact O-CD 3.16Å; D580-K584 VanDerWaalsContact O-CG 3.25Å; D580-K584 WeakPolarHBondContact O-CG 3Å; D580-K584 PolarHBondContact O-N 2.88Å
581	C	93.5	Very high	91.9	Very high	48 Å²	48	63.7 Å²	63.7	32%	0.324	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-46.3	170.4	-65.6	0	0	0	0	110.4	V576 S578 V579 K584 L585	V576-C581 HydrophobicContact CB-CB 4.2Å; V576-C581 HydrophobicContact CG1-CB 4.08Å; S578-C581 WeakPolarHBondContact O-CB 3.39Å; S578-C581 PolarHBondContact O-N 2.95Å; S578-C581 PolarHBondContact OG-N 3.4Å; V579-C581 VanDerWaalsContact C-N 3.33Å; V579-C581 PolarHBondContact O-N 2.88Å; C581-K584 PolarHBondContact O-N 2.77Å; C581-L585 WeakPolarHBondContact O-CG 3.29Å; C581-L585 PolarHBondContact O-N 3.04Å; C581-L585 VanDerWaalsContact O-N 3.11Å
582	V	94.1	Very high	91.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.4	-44.8	176.6	173.3	0	0	0	0	111.5	A516 F520 V576 S578 V579 D580 K584 L585 L586 F611	A516-V582 HydrophobicContact CB-CB 4.25Å; A516-V582 HydrophobicContact CB-CG1 3.87Å; A516-V582 HydrophobicContact CB-CG2 4.23Å; F520-V582 HydrophobicContact CE2-CG2 4Å; F520-V582 HydrophobicContact CZ-CG2 4.45Å; V576-V582 HydrophobicContact CB-CG2 3.98Å; V576-V582 HydrophobicContact CG1-CG2 4.05Å; V576-V582 HydrophobicContact CG2-CG2 3.91Å; S578-V582 PolarHBondContact O-N 3.33Å; V579-V582 CarbonylContact O-C 3.55Å; V579-V582 WeakPolarHBondContact O-CA 3.15Å; V579-V582 WeakPolarHBondContact O-CB 3.47Å; V579-V582 PolarHBondContact O-N 2.99Å; V579-V582 VanDerWaalsContact O-N 3.09Å; D580-V582 VanDerWaalsContact C-N 3.34Å; V582-K584 VanDerWaalsContact C-N 3.31Å; V582-K584 PolarHBondContact O-N 3.47Å; V582-L585 PolarHBondContact O-N 3.19Å; V582-L585 VanDerWaalsContact O-N 3.17Å; V582-L586 HydrophobicContact CG1-CD1 3.78Å; V582-L586 HydrophobicContact CG1-CG 4.11Å; V582-L586 VanDerWaalsContact O-CG 3.31Å; V582-L586 WeakPolarHBondContact O-CG 3.3Å; V582-L586 PolarHBondContact O-N 2.98Å; V582-F611 HydrophobicContact CG1-CE1 4.25Å; V582-F611 HydrophobicContact CG1-CZ 3.67Å
583	L	92.3	Very high	91.2	Very high	32 Å²	32	60 Å²	60	17%	0.168	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-40.2	177.9	-71.7	170.9	0	0	0	112.3	C507 A513 V579 D580 L586 Q587	C507-L583 HydrophobicContact CB-CD2 3.79Å; A513-L583 HydrophobicContact CB-CD2 3.71Å; V579-L583 HydrophobicContact CG1-CD1 4.13Å; V579-L583 HydrophobicContact CG1-CG 4.26Å; V579-L583 WeakPolarHBondContact O-CG 3.35Å; V579-L583 PolarHBondContact O-N 2.89Å; D580-L583 PolarHBondContact O-N 2.87Å; L583-L586 PolarHBondContact O-N 2.91Å; L583-Q587 WeakPolarHBondContact O-CB 3.48Å; L583-Q587 VanDerWaalsContact O-CG 3.3Å; L583-Q587 WeakPolarHBondContact O-CG 3.49Å; L583-Q587 PolarHBondContact O-N 3.42Å
584	K	92	Very high	90.1	Very high	141 Å²	141	56.9 Å²	56.9	61%	0.613	29%	0.292	S	S	*	.	H	α-helix	trans	-64.6	-43.2	174.9	-71.5	165.7	-175.4	175.4	0	112.1	D580 C581 V582 Q587 H588	D580-K584 WeakPolarHBondContact O-CD 3.16Å; D580-K584 VanDerWaalsContact O-CG 3.25Å; D580-K584 WeakPolarHBondContact O-CG 3Å; D580-K584 PolarHBondContact O-N 2.88Å; C581-K584 PolarHBondContact O-N 2.77Å; V582-K584 VanDerWaalsContact C-N 3.31Å; V582-K584 PolarHBondContact O-N 3.47Å; K584-Q587 PolarHBondContact O-N 3.12Å; K584-H588 WeakPolarHBondContact O-CB 3.4Å; K584-H588 PolarHBondContact O-N 3.3Å
585	L	92.8	Very high	88.9	Confident	26 Å²	26	57.3 Å²	57.3	14%	0.136	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-39.2	175.9	-66.1	174.6	0	0	0	112.1	A536 L550 E574 V576 C581 V582 H588 G589	A536-L585 HydrophobicContact CB-CD1 3.94Å; L550-L585 HydrophobicContact CD1-CD2 4.45Å; L550-L585 HydrophobicContact CD2-CB 4.13Å; L550-L585 HydrophobicContact CD2-CD2 4.04Å; E574-L585 HydrophobicContact CB-CD1 3.88Å; E574-L585 HydrophobicContact CB-CD2 4.41Å; E574-L585 HydrophobicContact CG-CD1 4.44Å; E574-L585 HydrophobicContact CG-CD2 4.12Å; V576-L585 HydrophobicContact CG1-CD1 3.54Å; C581-L585 WeakPolarHBondContact O-CG 3.29Å; C581-L585 PolarHBondContact O-N 3.04Å; C581-L585 VanDerWaalsContact O-N 3.11Å; V582-L585 PolarHBondContact O-N 3.19Å; V582-L585 VanDerWaalsContact O-N 3.17Å; L585-H588 PolarHBondContact O-N 2.92Å; L585-G589 PolarHBondContact O-N 3.22Å
586	L	92.2	Very high	87.1	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-46.4	175.6	-70.5	172.4	0	0	0	111.6	C507 Y512 F538 V582 L583 H588 G589 A590 F611	C507-L586 HydrophobicContact CB-CB 4.39Å; Y512-L586 HydrophobicContact CD2-CD2 3.69Å; Y512-L586 HydrophobicContact CE2-CD2 4.46Å; Y512-L586 HydrophobicContact CG-CD2 3.95Å; F538-L586 HydrophobicContact CE1-CD2 4.16Å; F538-L586 HydrophobicContact CZ-CD2 4.43Å; V582-L586 HydrophobicContact CG1-CD1 3.78Å; V582-L586 HydrophobicContact CG1-CG 4.11Å; V582-L586 VanDerWaalsContact O-CG 3.31Å; V582-L586 WeakPolarHBondContact O-CG 3.3Å; V582-L586 PolarHBondContact O-N 2.98Å; L583-L586 PolarHBondContact O-N 2.91Å; L586-H588 PolarHBondContact O-N 2.99Å; L586-G589 PolarHBondContact O-N 2.82Å; L586-A590 WeakPolarHBondContact O-CB 3.21Å; L586-A590 PolarHBondContact O-N 3.04Å; L586-F611 HydrophobicContact CD2-CD1 4.27Å; L586-F611 HydrophobicContact CD2-CD2 3.79Å; L586-F611 HydrophobicContact CD2-CE1 4.37Å; L586-F611 HydrophobicContact CD2-CE2 3.9Å; L586-F611 HydrophobicContact CD2-CG 4Å; L586-F611 HydrophobicContact CD2-CZ 4.2Å; L586-F611 HydrophobicContact CG-CE2 4.5Å
587	Q	88.7	Confident	85.3	Confident	106 Å²	106	59.4 Å²	59.4	50%	0.495	31%	0.314	S	S	.	.	H	α-helix	trans	-60.6	-43.5	175.3	-74.3	173.4	-7.2	0	0	112	C507 L583 K584 H591	C507-Q587 HydrophobicContact CB-CG 4.45Å; L583-Q587 WeakPolarHBondContact O-CB 3.48Å; L583-Q587 VanDerWaalsContact O-CG 3.3Å; L583-Q587 WeakPolarHBondContact O-CG 3.49Å; L583-Q587 PolarHBondContact O-N 3.42Å; K584-Q587 PolarHBondContact O-N 3.12Å; Q587-H591 PolarHBondContact O-N 2.98Å; Q587-H591 VanDerWaalsContact O-N 3.07Å
588	H	89.1	Confident	83.5	Confident	85 Å²	85	55.1 Å²	55.1	39%	0.394	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-52	176.7	-175.1	72.2	0	0	0	111.7	K584 L585 L586 A590 H591 I592	K584-H588 WeakPolarHBondContact O-CB 3.4Å; K584-H588 PolarHBondContact O-N 3.3Å; L585-H588 PolarHBondContact O-N 2.92Å; L586-H588 PolarHBondContact O-N 2.99Å; H588-A590 PolarHBondContact O-N 3.46Å; H588-H591 PolarHBondContact O-N 3.42Å; H588-I592 WeakPolarHBondContact NE2-CD1 3.46Å; H588-I592 WeakPolarHBondContact O-CG1 3.36Å; H588-I592 PolarHBondContact O-N 2.65Å; H588-I592 VanDerWaalsContact O-N 3.12Å
589	G	88.8	Confident	81.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-67.3	-34.3	179.7	0	0	0	0	0	113.5	L585 L586 I592 R593	L585-G589 PolarHBondContact O-N 3.22Å; L586-G589 PolarHBondContact O-N 2.82Å; G589-I592 PolarHBondContact O-N 3.06Å; G589-R593 WeakPolarHBondContact O-CB 3.14Å; G589-R593 PolarHBondContact O-N 3.19Å
590	A	83.6	Confident	79.8	Confident	38 Å²	38	59.9 Å²	59.9	31%	0.314	33%	0.33	S	S	.	.	H	α-helix	trans	-67.2	-35.2	175.7	0	0	0	0	0	112.8	L586 H588	L586-A590 WeakPolarHBondContact O-CB 3.21Å; L586-A590 PolarHBondContact O-N 3.04Å; H588-A590 PolarHBondContact O-N 3.46Å
591	H	82.4	Confident	78.1	Confident	169 Å²	169	58.6 Å²	58.6	78%	0.782	32%	0.323	S	S	*	.	H	α-helix	trans	-70.4	-34.7	172.8	-178.5	66.4	0	0	0	112.5	Q587 H588	Q587-H591 PolarHBondContact O-N 2.98Å; Q587-H591 VanDerWaalsContact O-N 3.07Å; H588-H591 PolarHBondContact O-N 3.42Å
592	I	86.4	Confident	76.2	Confident	36 Å²	36	62.2 Å²	62.2	19%	0.185	34%	0.335	C	S	.	.	H	α-helix	trans	-78	-38.1	179.8	-72.1	174.1	0	0	0	112.3	L549 K553 H588 G589	L549-I592 HydrophobicContact CD2-CB 4.5Å; L549-I592 HydrophobicContact CD2-CG2 3.9Å; K553-I592 HydrophobicContact CD-CG2 4.29Å; K553-I592 WeakPolarHBondContact CE-O 2.81Å; K553-I592 HydrophobicContact CG-CG2 3.67Å; K553-I592 PolarHBondContact NZ-O 2.64Å; H588-I592 WeakPolarHBondContact NE2-CD1 3.46Å; H588-I592 WeakPolarHBondContact O-CG1 3.36Å; H588-I592 PolarHBondContact O-N 2.65Å; H588-I592 VanDerWaalsContact O-N 3.12Å; G589-I592 PolarHBondContact O-N 3.06Å
593	R	86.9	Confident	74.5	Confident	23 Å²	23	66.1 Å²	66.1	9%	0.087	35%	0.354	C	S	.	.	S	Bend	trans	-47.8	142.2	-172.1	-174.1	-175.8	174.3	-179.4	1.5	113.7	E540 L549 G589 S595 S604 S607 A609 D631	E540-R593 WeakPolarHBondContact OE2-CG 3.36Å; L549-R593 HydrophobicContact CD1-CB 4.34Å; L549-R593 HydrophobicContact CD2-CB 4.21Å; G589-R593 WeakPolarHBondContact O-CB 3.14Å; G589-R593 PolarHBondContact O-N 3.19Å; R593-S595 PolarHBondContact O-N 2.88Å; R593-S604 PolarHBondContact NH2-O 3.12Å; R593-S607 PolarHBondContact NE-OG 2.96Å; R593-S607 PolarHBondContact NH2-O 3.06Å; R593-A609 VanDerWaalsContact CZ-CB 3.41Å; R593-D631 IonicContact CZ-OD2 2.92Å; R593-D631 VanDerWaalsContact CZ-OD2 3.23Å; R593-D631 IonicContact NH1-OD2 2.61Å; R593-D631 PolarHBondContact NH1-OD2 2.65Å; R593-D631 PolarHBondContact NH2-O 2.99Å; R593-D631 IonicContact NH2-OD2 3.93Å; R593-D631 PolarHBondContact NH2-OD2 3.11Å
594	T	73.5	Confident	73.1	Confident	25 Å²	25	65.1 Å²	65.1	15%	0.153	35%	0.349	C	S	.	.			trans	-64.1	104.3	-179.4	-59.1	0	0	0	0	112.3	E540 Y542 K553	E540-T594 WeakPolarHBondContact OE1-CB 3.32Å; E540-T594 PolarHBondContact OE1-N 3.24Å; E540-T594 PolarHBondContact OE1-OG1 3.03Å; E540-T594 WeakPolarHBondContact OE2-CB 3.23Å; E540-T594 PolarHBondContact OE2-N 3.42Å; E540-T594 PolarHBondContact OE2-OG1 2.89Å; Y542-T594 HydrophobicContact CD2-CG2 4.14Å; Y542-T594 HydrophobicContact CE1-CG2 4.43Å; Y542-T594 HydrophobicContact CE2-CG2 3.81Å; K553-T594 PolarHBondContact NZ-OG1 2.96Å
595	S	67.8	Low	71.9	Confident	64 Å²	64	58.7 Å²	58.7	45%	0.448	32%	0.322	S	S	.	.			trans	-97.5	78.6	177.6	60.5	0	0	0	0	111.9	R593 Q597	R593-S595 PolarHBondContact O-N 2.88Å; S595-Q597 PolarHBondContact O-N 3.33Å
596	G	59	Low	71.3	Confident	12 Å²	12	59.4 Å²	59.4	12%	0.124	32%	0.323	C	S	.	.			trans	-66.6	119.9	169.9	0	0	0	0	0	110.9	S605	G596-S605 PolarHBondContact O-OG 2.63Å
597	Q	55.6	Low	71.1	Confident	133 Å²	133	59.1 Å²	59.1	62%	0.621	32%	0.322	S	S	*	.			trans	-67.4	144	178.8	-65.7	-166.5	13.7	0	0	111.4	S595 R606	S595-Q597 PolarHBondContact O-N 3.33Å; Q597-R606 PolarHBondContact O-NH2 2.83Å
598	T	55.1	Low	71.2	Confident	42 Å²	42	54.3 Å²	54.3	26%	0.258	30%	0.299	S	S	.	.			trans	-136.4	156.3	171.5	59.9	0	0	0	0	108.7	A600 N601	T598-A600 PolarHBondContact O-N 3.12Å; T598-A600 VanDerWaalsContact O-N 3.13Å; T598-N601 PolarHBondContact N-O 3.04Å; T598-N601 CarbonylContact O-C 3.53Å; T598-N601 PolarHBondContact O-N 3.01Å; T598-N601 VanDerWaalsContact O-O 3.12Å; T598-N601 PolarHBondContact OG1-N 3.15Å; T598-N601 PolarHBondContact OG1-O 3.13Å
599	S	54.2	Low	71.4	Confident	129 Å²	129	50.3 Å²	50.3	90%	0.902	28%	0.28	S	S	*	.	S	Bend	trans	-57.8	-25.9	176	55.1	0	0	0	0	113.2
600	A	55.9	Low	71.7	Confident	48 Å²	48	50.3 Å²	50.3	40%	0.397	28%	0.28	S	S	.	.	S	Bend	trans	-74.4	-62.6	170.9	0	0	0	0	0	112.4	T487 T598	T487-A600 HydrophobicContact CG2-CB 4Å; T598-A600 PolarHBondContact O-N 3.12Å; T598-A600 VanDerWaalsContact O-N 3.13Å
601	N	56.9	Low	72.3	Confident	68 Å²	68	48.5 Å²	48.5	36%	0.364	27%	0.265	S	S	.	.			trans	-134.2	145.6	-172.5	-83.8	4.9	0	0	0	113.2	T487 T598	T487-N601 HydrophobicContact CG2-CB 3.9Å; T598-N601 PolarHBondContact N-O 3.04Å; T598-N601 CarbonylContact O-C 3.53Å; T598-N601 PolarHBondContact O-N 3.01Å; T598-N601 VanDerWaalsContact O-O 3.12Å; T598-N601 PolarHBondContact OG1-N 3.15Å; T598-N601 PolarHBondContact OG1-O 3.13Å
602	Q	53.2	Low	72.9	Confident	124 Å²	124	40.9 Å²	40.9	58%	0.579	23%	0.23	S	C	*	.	S	Bend	trans	-85.6	-16.9	175.3	-73.3	173.1	-38	0	0	114.8
603	H	57.3	Low	73.4	Confident	83 Å²	83	39.2 Å²	39.2	38%	0.384	22%	0.222	S	C	.	.	S	Bend	trans	-119.3	145.7	-174.5	-62.7	-77.1	0	0	0	113.3	S605	H603-S605 VanDerWaalsContact C-N 3.31Å; H603-S605 PolarHBondContact O-N 3.33Å
604	S	63.3	Low	73.8	Confident	10 Å²	10	38.4 Å²	38.4	7%	0.07	22%	0.219	C	C	.	.	S	Bend	trans	61.6	7.7	158.4	62.6	0	0	0	0	119.8	T492 R593	T492-S604 WeakPolarHBondContact CB-OG 3.41Å; T492-S604 VanDerWaalsContact CG2-OG 3.26Å; T492-S604 WeakPolarHBondContact CG2-OG 3.38Å; T492-S604 PolarHBondContact OG1-OG 3.45Å; R593-S604 PolarHBondContact NH2-O 3.12Å
605	S	67.6	Low	74.8	Confident	6 Å²	6	37.2 Å²	37.2	4%	0.042	21%	0.212	C	C	.	.	S	Bend	trans	-71.9	-29.3	-174.4	48.3	0	0	0	0	115.3	T487 G596 H603 A633 G634	T487-S605 VanDerWaalsContact OG1-CB 3.25Å; T487-S605 WeakPolarHBondContact OG1-CB 3.36Å; G596-S605 PolarHBondContact O-OG 2.63Å; H603-S605 VanDerWaalsContact C-N 3.31Å; H603-S605 PolarHBondContact O-N 3.33Å; S605-A633 WeakPolarHBondContact O-CA 3.35Å; S605-A633 WeakPolarHBondContact O-CB 3.47Å; S605-G634 PolarHBondContact O-N 2.74Å
606	R	80.3	Confident	76.1	Confident	41 Å²	41	35.2 Å²	35.2	16%	0.155	20%	0.195	C	C	.	.	S	Bend	trans	-107.7	-3.1	-163.8	-48.6	-164	-167.7	179.6	-5.9	116.5	Q597 T648 E651 I655	Q597-R606 PolarHBondContact O-NH2 2.83Å; R606-T648 VanDerWaalsContact NH1-CG2 3.35Å; R606-T648 PolarHBondContact NH1-OG1 3.22Å; R606-E651 WeakPolarHBondContact CD-OE2 3.35Å; R606-E651 IonicContact CZ-OE2 3.58Å; R606-E651 IonicContact NE-OE2 3Å; R606-E651 IonicContact NH1-OE2 3.4Å; R606-E651 PolarHBondContact NH1-OE2 3.15Å; R606-I655 HydrophobicContact CB-CD1 4.2Å
607	S	87.9	Confident	77.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-125.8	141.6	174.9	71	0	0	0	0	111.6	E540 R593	E540-S607 WeakPolarHBondContact OE2-CB 3.36Å; E540-S607 PolarHBondContact OE2-OG 3.36Å; R593-S607 PolarHBondContact NE-OG 2.96Å; R593-S607 PolarHBondContact NH2-O 3.06Å
608	H	91.4	Very high	79.3	Confident	5 Å²	5	36.3 Å²	36.3	2%	0.023	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	117.4	171.3	-51.1	-81.7	0	0	0	108.2	E540 I541 D631 L632 A633 S658	E540-H608 CarbonylContact C-O 3.58Å; E540-H608 VanDerWaalsContact CA-O 3.3Å; E540-H608 WeakPolarHBondContact CA-O 3.09Å; I541-H608 HydrophobicContact CB-CB 4.34Å; I541-H608 PolarHBondContact N-O 3.45Å; I541-H608 PolarHBondContact O-N 2.82Å; H608-D631 CarbonylContact C-O 3.52Å; H608-D631 WeakPolarHBondContact CA-O 3.43Å; H608-L632 HydrophobicContact CB-CD2 4.38Å; H608-L632 WeakPolarHBondContact ND1-CA 3.27Å; H608-L632 WeakPolarHBondContact ND1-CD2 2.84Å; H608-A633 PolarHBondContact ND1-N 2.88Å; H608-S658 PolarHBondContact NE2-OG 3.2Å
609	A	93.2	Very high	80.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.3	175.9	0	0	0	0	0	110.9	F538 R593 I630 D631	F538-A609 HydrophobicContact CE2-CB 4.05Å; R593-A609 VanDerWaalsContact CZ-CB 3.41Å; A609-I630 WeakPolarHBondContact O-CA 3.1Å; A609-D631 PolarHBondContact N-O 3.01Å; A609-D631 PolarHBondContact O-N 3.47Å
610	V	94.8	Very high	82.5	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	107	-179.5	-178.9	0	0	0	0	108.3	F539 I541 Q612 I630	F539-V610 HydrophobicContact CD1-CB 4.43Å; F539-V610 HydrophobicContact CD2-CB 4.07Å; F539-V610 HydrophobicContact CD2-CG2 4.49Å; F539-V610 HydrophobicContact CE1-CB 4.05Å; F539-V610 HydrophobicContact CE1-CG1 3.79Å; F539-V610 HydrophobicContact CE2-CB 3.65Å; F539-V610 HydrophobicContact CE2-CG1 3.98Å; F539-V610 HydrophobicContact CE2-CG2 3.93Å; F539-V610 HydrophobicContact CG-CB 4.46Å; F539-V610 HydrophobicContact CZ-CB 3.64Å; F539-V610 HydrophobicContact CZ-CG1 3.44Å; F539-V610 VanDerWaalsContact CZ-CG1 3.44Å; F539-V610 HydrophobicContact CZ-CG2 4.26Å; F539-V610 PolarHBondContact N-O 3.12Å; F539-V610 VanDerWaalsContact N-O 3.08Å; F539-V610 PolarHBondContact O-N 3.28Å; I541-V610 HydrophobicContact CD1-CG2 4.48Å; V610-Q612 HydrophobicContact CG1-CG 3.91Å; V610-I630 HydrophobicContact CB-CG1 4.5Å; V610-I630 HydrophobicContact CG1-CD1 4.42Å; V610-I630 HydrophobicContact CG1-CG1 4.17Å; V610-I630 HydrophobicContact CG2-CD1 4.27Å; V610-I630 HydrophobicContact CG2-CG1 4.16Å; V610-I630 HydrophobicContact CG2-CG2 4.21Å
611	F	95.3	Very high	84	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.3	169.6	-179.7	-113.2	0	0	0	108.8	Y512 A536 T537 F538 V582 L586 L613 L629	Y512-F611 HydrophobicContact CD1-CB 3.94Å; Y512-F611 AromaticContact CD1-CD1 3.81Å; Y512-F611 HydrophobicContact CD1-CD1 3.81Å; Y512-F611 HydrophobicContact CD1-CG 4.21Å; Y512-F611 HydrophobicContact CE1-CB 3.77Å; Y512-F611 HydrophobicContact CE1-CD1 4.49Å; Y512-F611 HydrophobicContact CG-CD1 4.12Å; A536-F611 HydrophobicContact CB-CE2 4.13Å; A536-F611 HydrophobicContact CB-CZ 4.3Å; T537-F611 WeakPolarHBondContact O-CA 3.39Å; T537-F611 VanDerWaalsContact O-CD2 3.27Å; T537-F611 WeakPolarHBondContact O-CD2 3.44Å; F538-F611 HydrophobicContact CB-CD2 4.04Å; F538-F611 HydrophobicContact CD2-CB 3.79Å; F538-F611 HydrophobicContact CD2-CD2 4.1Å; F538-F611 HydrophobicContact CD2-CG 4.44Å; F538-F611 HydrophobicContact CE2-CB 3.96Å; F538-F611 HydrophobicContact CG-CD2 4Å; V582-F611 HydrophobicContact CG1-CE1 4.25Å; V582-F611 HydrophobicContact CG1-CZ 3.67Å; L586-F611 HydrophobicContact CD2-CD1 4.27Å; L586-F611 HydrophobicContact CD2-CD2 3.79Å; L586-F611 HydrophobicContact CD2-CE1 4.37Å; L586-F611 HydrophobicContact CD2-CE2 3.9Å; L586-F611 HydrophobicContact CD2-CG 4Å; L586-F611 HydrophobicContact CD2-CZ 4.2Å; L586-F611 HydrophobicContact CG-CE2 4.5Å; F611-L613 HydrophobicContact CE1-CD1 4.31Å; F611-L613 HydrophobicContact CE1-CD2 3.79Å; F611-L613 HydrophobicContact CE1-CG 3.8Å; F611-L613 HydrophobicContact CZ-CD2 3.69Å; F611-L613 HydrophobicContact CZ-CG 4.21Å; F611-L629 HydrophobicContact CD1-CD1 4.28Å; F611-L629 PolarHBondContact N-O 2.82Å; F611-L629 PolarHBondContact O-N 2.96Å
612	Q	95.7	Very high	85.6	Confident	9 Å²	9	40.8 Å²	40.8	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.2	178.8	-50.2	-176.1	-21.4	0	0	111.9	A536 T537 F539 V610 I614 F627	A536-Q612 WeakPolarHBondContact CA-O 3.25Å; T537-Q612 PolarHBondContact N-O 2.66Å; T537-Q612 PolarHBondContact O-N 2.93Å; T537-Q612 WeakPolarHBondContact OG1-CB 3.4Å; F539-Q612 HydrophobicContact CE1-CG 4.31Å; V610-Q612 HydrophobicContact CG1-CG 3.91Å; Q612-I614 HydrophobicContact CB-CG1 4.27Å; Q612-F627 CarbonylContact C-O 3.56Å; Q612-F627 VanDerWaalsContact CA-O 3.24Å; Q612-F627 WeakPolarHBondContact CA-O 3.49Å
613	L	95.8	Very high	87.4	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.1	165.7	-64.3	174	0	0	0	108.2	A516 V519 I534 A536 F611 F627	A516-L613 HydrophobicContact CB-CD1 4.13Å; V519-L613 HydrophobicContact CG2-CD1 4.17Å; I534-L613 HydrophobicContact CG2-CD2 4.47Å; A536-L613 HydrophobicContact CB-CD2 4.45Å; F611-L613 HydrophobicContact CE1-CD1 4.31Å; F611-L613 HydrophobicContact CE1-CD2 3.79Å; F611-L613 HydrophobicContact CE1-CG 3.8Å; F611-L613 HydrophobicContact CZ-CD2 3.69Å; F611-L613 HydrophobicContact CZ-CG 4.21Å; L613-F627 HydrophobicContact CB-CB 4.43Å; L613-F627 PolarHBondContact N-O 2.93Å; L613-F627 PolarHBondContact O-N 3.47Å
614	I	95.2	Very high	89.1	Confident	6 Å²	6	35.5 Å²	35.5	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.7	-174.4	-47.1	178.5	0	0	0	108.5	V535 T537 Q612 K616 I623 K626	V535-I614 HydrophobicContact CB-CB 4.35Å; V535-I614 PolarHBondContact N-O 2.61Å; V535-I614 PolarHBondContact O-N 2.94Å; T537-I614 HydrophobicContact CG2-CD1 4.01Å; Q612-I614 HydrophobicContact CB-CG1 4.27Å; I614-K616 HydrophobicContact CG2-CD 4.5Å; I614-K616 HydrophobicContact CG2-CG 3.98Å; I614-I623 HydrophobicContact CG2-CD1 4.3Å; I614-I623 HydrophobicContact CG2-CG1 3.98Å; I614-I623 HydrophobicContact CG2-CG2 3.96Å; I614-K626 HydrophobicContact CG1-CG 4.35Å
615	L	95.4	Very high	90.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124	172.1	-59	-179.6	0	0	0	108.5	I473 F474 V519 L532 I534 H624 G625	I473-L615 HydrophobicContact CB-CD1 4.23Å; I473-L615 HydrophobicContact CD1-CD1 3.76Å; I473-L615 HydrophobicContact CD1-CG 3.99Å; I473-L615 HydrophobicContact CG1-CD1 3.88Å; F474-L615 HydrophobicContact CD1-CD1 3.67Å; F474-L615 HydrophobicContact CD2-CD1 4.33Å; F474-L615 HydrophobicContact CE1-CD1 3.64Å; F474-L615 HydrophobicContact CE1-CD2 4.31Å; F474-L615 HydrophobicContact CE2-CD1 4.29Å; F474-L615 HydrophobicContact CG-CD1 4.02Å; F474-L615 HydrophobicContact CZ-CD1 3.96Å; F474-L615 HydrophobicContact CZ-CD2 4.32Å; V519-L615 HydrophobicContact CG1-CD2 4.05Å; L532-L615 HydrophobicContact CD1-CB 4.4Å; L532-L615 HydrophobicContact CD1-CD1 4.19Å; I534-L615 HydrophobicContact CG1-CD2 3.83Å; L615-H624 HydrophobicContact CB-CB 4.11Å; L615-H624 WeakPolarHBondContact O-CB 3.29Å; L615-H624 PolarHBondContact O-N 3.28Å; L615-G625 PolarHBondContact N-O 2.69Å
616	K	95	Very high	91.7	Very high	21 Å²	21	35.9 Å²	35.9	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136	177.3	-60.9	-169.2	178.3	-167.2	0	111	L532 R533 V535 E573 I614 Q618 K622 I623	L532-K616 WeakPolarHBondContact CA-O 3.41Å; R533-K616 HydrophobicContact CG-CB 4.05Å; R533-K616 WeakPolarHBondContact CG-O 3.46Å; R533-K616 PolarHBondContact N-O 3.3Å; R533-K616 PolarHBondContact O-N 2.86Å; V535-K616 HydrophobicContact CG2-CD 4.29Å; E573-K616 WeakPolarHBondContact OE1-CE 3.44Å; E573-K616 IonicContact OE1-NZ 3.47Å; E573-K616 PolarHBondContact OE1-NZ 3.29Å; E573-K616 IonicContact OE2-NZ 3.59Å; E573-K616 PolarHBondContact OE2-NZ 3.05Å; I614-K616 HydrophobicContact CG2-CD 4.5Å; I614-K616 HydrophobicContact CG2-CG 3.98Å; K616-Q618 PolarHBondContact O-N 3.12Å; K616-K622 WeakPolarHBondContact CA-O 3.31Å; K616-I623 HydrophobicContact CG-CG1 4.4Å
617	K	93.1	Very high	92.5	Very high	41 Å²	41	33.9 Å²	33.9	18%	0.178	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.3	175.8	-80.6	-173.7	162.4	-65.9	0	110.6	E530 L532 S619 T620 G621 K622 H624	E530-K617 PolarHBondContact O-NZ 3.28Å; E530-K617 IonicContact OE2-NZ 2.83Å; E530-K617 PolarHBondContact OE2-NZ 3.19Å; L532-K617 HydrophobicContact CD2-CB 4.48Å; L532-K617 HydrophobicContact CD2-CG 3.55Å; K617-S619 PolarHBondContact O-N 2.68Å; K617-S619 VanDerWaalsContact O-N 3.16Å; K617-T620 WeakPolarHBondContact CB-OG1 3.16Å; K617-T620 PolarHBondContact O-N 2.86Å; K617-T620 VanDerWaalsContact O-N 3.1Å; K617-G621 WeakPolarHBondContact O-CA 3.4Å; K617-G621 PolarHBondContact O-N 3.26Å; K617-K622 PolarHBondContact N-O 2.79Å; K617-H624 WeakPolarHBondContact CE-ND1 3.41Å; K617-H624 HydrophobicContact CG-CB 4.47Å
618	Q	88.5	Confident	92.8	Very high	127 Å²	127	34 Å²	34	59%	0.593	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-35.4	-175.6	-166.4	179.3	19.1	0	0	112.5	N531 K616 T620	N531-Q618 WeakPolarHBondContact O-CB 3.07Å; N531-Q618 PolarHBondContact O-N 2.77Å; K616-Q618 PolarHBondContact O-N 3.12Å; Q618-T620 PolarHBondContact O-N 2.94Å
619	S	87.6	Confident	93	Very high	103 Å²	103	33.8 Å²	33.8	72%	0.72	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-13.9	-179.2	57.7	0	0	0	0	116.2	K617	K617-S619 PolarHBondContact O-N 2.68Å; K617-S619 VanDerWaalsContact O-N 3.16Å
620	T	89.1	Confident	93.1	Very high	95 Å²	95	33.9 Å²	33.9	58%	0.583	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-139.2	-7.9	-173.4	52.9	0	0	0	0	114.4	K617 Q618 K622	K617-T620 WeakPolarHBondContact CB-OG1 3.16Å; K617-T620 PolarHBondContact O-N 2.86Å; K617-T620 VanDerWaalsContact O-N 3.1Å; Q618-T620 PolarHBondContact O-N 2.94Å; T620-K622 PolarHBondContact O-N 3.3Å
621	G	87.6	Confident	93.1	Very high	30 Å²	30	33.9 Å²	33.9	31%	0.309	18%	0.183	S	C	.	.			trans	65.5	-7.8	-171.3	0	0	0	0	0	114.8	K617	K617-G621 WeakPolarHBondContact O-CA 3.4Å; K617-G621 PolarHBondContact O-N 3.26Å
622	K	90.5	Very high	93	Very high	154 Å²	154	34 Å²	34	67%	0.67	18%	0.183	S	C	*	.			trans	-67	136.1	-174.5	-172.7	172.8	179.6	175.3	0	111	K616 K617 T620 H624	K616-K622 WeakPolarHBondContact CA-O 3.31Å; K617-K622 PolarHBondContact N-O 2.79Å; T620-K622 PolarHBondContact O-N 3.3Å; K622-H624 PolarHBondContact O-N 2.83Å
623	I	91	Very high	92.7	Very high	82 Å²	82	33.5 Å²	33.5	42%	0.421	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	125.1	172.1	-60.2	173.6	0	0	0	108.8	I614 K616	I614-I623 HydrophobicContact CG2-CD1 4.3Å; I614-I623 HydrophobicContact CG2-CG1 3.98Å; I614-I623 HydrophobicContact CG2-CG2 3.96Å; K616-I623 HydrophobicContact CG-CG1 4.4Å
624	H	92.7	Very high	92.3	Very high	14 Å²	14	33.6 Å²	33.6	7%	0.065	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-46.4	174.1	-175.8	101.8	0	0	0	109.9	I473 F474 R476 E530 L532 L615 K617 K622	I473-H624 PolarHBondContact O-CD2 2.95Å; F474-H624 PolarHBondContact O-NE2 3.48Å; R476-H624 WeakPolarHBondContact CA-O 3.45Å; R476-H624 WeakPolarHBondContact CG-CE1 3.49Å; R476-H624 WeakPolarHBondContact CG-NE2 3.49Å; R476-H624 PolarHBondContact NE-CE1 3.4Å; E530-H624 IonicContact OE1-CE1 2.92Å; E530-H624 PolarHBondContact OE1-CE1 3.37Å; L532-H624 HydrophobicContact CD2-CB 3.95Å; L615-H624 HydrophobicContact CB-CB 4.11Å; L615-H624 WeakPolarHBondContact O-CB 3.29Å; L615-H624 PolarHBondContact O-N 3.28Å; K617-H624 WeakPolarHBondContact CE-ND1 3.41Å; K617-H624 HydrophobicContact CG-CB 4.47Å; K622-H624 PolarHBondContact O-N 2.83Å
625	G	92.8	Very high	91.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	160.9	173.5	0	0	0	0	0	111.7	G477 L615	G477-G625 VanDerWaalsContact O-CA 3.31Å; G477-G625 WeakPolarHBondContact O-CA 3.41Å; L615-G625 PolarHBondContact N-O 2.69Å
626	K	93.7	Very high	90.7	Very high	23 Å²	23	36.4 Å²	36.4	10%	0.1	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.3	-178.6	179.1	170.6	70.9	-174.6	0	109.9	I473 M478 A479 I614 D689	I473-K626 WeakPolarHBondContact CG2-O 3.41Å; M478-K626 HydrophobicContact CE-CB 3.93Å; M478-K626 HydrophobicContact CE-CD 4.43Å; M478-K626 HydrophobicContact SD-CB 3.83Å; A479-K626 PolarHBondContact N-O 2.84Å; I614-K626 HydrophobicContact CG1-CG 4.35Å; K626-D689 IonicContact NZ-OD2 2.77Å; K626-D689 PolarHBondContact NZ-OD2 3.01Å
627	F	95.6	Very high	89.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.3	168.7	-159.8	173.3	0	0	0	108.6	A466 L469 V470 I473 A479 C481 A515 Q612 L613 L629	A466-F627 HydrophobicContact CB-CZ 3.96Å; L469-F627 HydrophobicContact CB-CE1 4.44Å; L469-F627 HydrophobicContact CB-CE2 4Å; L469-F627 HydrophobicContact CB-CZ 3.73Å; L469-F627 HydrophobicContact CD1-CE2 3.91Å; L469-F627 HydrophobicContact CD1-CZ 4.13Å; V470-F627 HydrophobicContact CG2-CD1 4.45Å; V470-F627 HydrophobicContact CG2-CE1 3.84Å; I473-F627 HydrophobicContact CD1-CB 4.11Å; I473-F627 HydrophobicContact CG2-CB 4.03Å; A479-F627 HydrophobicContact CB-CB 4.21Å; A479-F627 HydrophobicContact CB-CD2 3.33Å; A479-F627 HydrophobicContact CB-CE2 3.69Å; A479-F627 HydrophobicContact CB-CG 3.81Å; A479-F627 HydrophobicContact CB-CZ 4.44Å; A479-F627 WeakPolarHBondContact O-CA 3.14Å; C481-F627 HydrophobicContact CB-CE2 4.13Å; A515-F627 HydrophobicContact CB-CD1 4.49Å; A515-F627 HydrophobicContact CB-CE1 4.04Å; Q612-F627 CarbonylContact C-O 3.56Å; Q612-F627 VanDerWaalsContact CA-O 3.24Å; Q612-F627 WeakPolarHBondContact CA-O 3.49Å; L613-F627 HydrophobicContact CB-CB 4.43Å; L613-F627 PolarHBondContact N-O 2.93Å; L613-F627 PolarHBondContact O-N 3.47Å; F627-L629 HydrophobicContact CD1-CD2 4.47Å; F627-L629 HydrophobicContact CD2-CD2 3.81Å; F627-L629 HydrophobicContact CD2-CG 4.18Å; F627-L629 HydrophobicContact CE1-CD2 4.08Å; F627-L629 HydrophobicContact CE2-CD2 3.37Å; F627-L629 HydrophobicContact CE2-CG 4.23Å; F627-L629 HydrophobicContact CG-CD2 4.37Å; F627-L629 HydrophobicContact CG-CG 4.42Å; F627-L629 HydrophobicContact CZ-CD2 3.54Å; F627-L629 HydrophobicContact CZ-CG 4.48Å
628	S	95.3	Very high	88	Confident	3 Å²	3	40 Å²	40	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.1	171.8	-51.4	0	0	0	0	110	A479 T480 C481	A479-S628 PolarHBondContact O-N 3.44Å; T480-S628 CarbonylContact C-O 3.57Å; T480-S628 VanDerWaalsContact CA-O 3.27Å; T480-S628 WeakPolarHBondContact CA-O 3.42Å; C481-S628 PolarHBondContact N-O 3.34Å
629	L	95.7	Very high	87	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.7	177.2	-63.1	175.7	0	0	0	107.9	C481 M495 I511 Y512 A515 F611 F627	C481-L629 HydrophobicContact CB-CD2 3.76Å; C481-L629 WeakPolarHBondContact O-CA 3.28Å; M495-L629 HydrophobicContact CE-CB 3.92Å; M495-L629 HydrophobicContact CE-CD2 4.47Å; I511-L629 HydrophobicContact CG2-CD1 4.43Å; I511-L629 HydrophobicContact CG2-CD2 4.09Å; Y512-L629 HydrophobicContact CD1-CB 3.56Å; Y512-L629 HydrophobicContact CD1-CD1 3.96Å; Y512-L629 HydrophobicContact CD1-CG 4.4Å; Y512-L629 HydrophobicContact CE1-CB 3.57Å; A515-L629 HydrophobicContact CB-CD1 3.68Å; F611-L629 HydrophobicContact CD1-CD1 4.28Å; F611-L629 PolarHBondContact N-O 2.82Å; F611-L629 PolarHBondContact O-N 2.96Å; F627-L629 HydrophobicContact CD1-CD2 4.47Å; F627-L629 HydrophobicContact CD2-CD2 3.81Å; F627-L629 HydrophobicContact CD2-CG 4.18Å; F627-L629 HydrophobicContact CE1-CD2 4.08Å; F627-L629 HydrophobicContact CE2-CD2 3.37Å; F627-L629 HydrophobicContact CE2-CG 4.23Å; F627-L629 HydrophobicContact CG-CD2 4.37Å; F627-L629 HydrophobicContact CG-CG 4.42Å; F627-L629 HydrophobicContact CZ-CD2 3.54Å; F627-L629 HydrophobicContact CZ-CG 4.48Å
630	I	95.1	Very high	85.9	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.7	-164	-54.2	-178.1	0	0	0	111.6	T480 C481 F482 A483 A609 V610 L632 L687	T480-I630 HydrophobicContact CG2-CD1 4.18Å; C481-I630 PolarHBondContact O-N 2.88Å; F482-I630 WeakPolarHBondContact CA-O 3.15Å; F482-I630 HydrophobicContact CB-CB 3.88Å; F482-I630 HydrophobicContact CB-CG2 4.36Å; A483-I630 PolarHBondContact N-O 3.46Å; A609-I630 WeakPolarHBondContact O-CA 3.1Å; V610-I630 HydrophobicContact CB-CG1 4.5Å; V610-I630 HydrophobicContact CG1-CD1 4.42Å; V610-I630 HydrophobicContact CG1-CG1 4.17Å; V610-I630 HydrophobicContact CG2-CD1 4.27Å; V610-I630 HydrophobicContact CG2-CG1 4.16Å; V610-I630 HydrophobicContact CG2-CG2 4.21Å; I630-L632 HydrophobicContact CG2-CD2 3.57Å; I630-L632 HydrophobicContact CG2-CG 4.07Å; I630-L687 HydrophobicContact CD1-CD1 4.35Å; I630-L687 HydrophobicContact CD1-CD2 3.56Å; I630-L687 HydrophobicContact CD1-CG 4.2Å
631	D	93.9	Very high	84.8	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	98.8	169.8	179.8	51.6	0	0	0	108.3	K491 T492 M495 Y512 R593 H608 A609	K491-D631 WeakPolarHBondContact CB-OD1 3.28Å; T492-D631 PolarHBondContact N-OD1 2.76Å; T492-D631 VanDerWaalsContact N-OD1 3.13Å; M495-D631 HydrophobicContact CB-CB 4.1Å; M495-D631 HydrophobicContact CG-CB 4.04Å; Y512-D631 WeakPolarHBondContact OH-CB 3.43Å; R593-D631 IonicContact CZ-OD2 2.92Å; R593-D631 VanDerWaalsContact CZ-OD2 3.23Å; R593-D631 IonicContact NH1-OD2 2.61Å; R593-D631 PolarHBondContact NH1-OD2 2.65Å; R593-D631 PolarHBondContact NH2-O 2.99Å; R593-D631 IonicContact NH2-OD2 3.93Å; R593-D631 PolarHBondContact NH2-OD2 3.11Å; H608-D631 CarbonylContact C-O 3.52Å; H608-D631 WeakPolarHBondContact CA-O 3.43Å; A609-D631 PolarHBondContact N-O 3.01Å; A609-D631 PolarHBondContact O-N 3.47Å
632	L	93.2	Very high	83.6	Confident	1 Å²	1	37 Å²	37	1%	0.005	20%	0.202	C	C	.	.			trans	-69.8	163.3	-178.6	-60.7	174.9	0	0	0	111.3	F482 A483 Y484 K491 H608 I630 L659 L662 L683	F482-L632 HydrophobicContact CB-CD1 4.49Å; F482-L632 HydrophobicContact CD2-CD1 3.77Å; F482-L632 HydrophobicContact CE2-CD1 4.44Å; F482-L632 HydrophobicContact CG-CD1 4.47Å; A483-L632 WeakPolarHBondContact O-CB 3.21Å; A483-L632 WeakPolarHBondContact O-CG 3.29Å; A483-L632 PolarHBondContact O-N 2.94Å; Y484-L632 HydrophobicContact CD2-CD1 4.05Å; K491-L632 WeakPolarHBondContact CE-O 3.29Å; H608-L632 HydrophobicContact CB-CD2 4.38Å; H608-L632 WeakPolarHBondContact ND1-CA 3.27Å; H608-L632 WeakPolarHBondContact ND1-CD2 2.84Å; I630-L632 HydrophobicContact CG2-CD2 3.57Å; I630-L632 HydrophobicContact CG2-CG 4.07Å; L632-L659 HydrophobicContact CD1-CD2 4.13Å; L632-L662 HydrophobicContact CD1-CD2 4.07Å; L632-L683 HydrophobicContact CD2-CD1 3.93Å; L632-L683 HydrophobicContact CD2-CD2 3.73Å; L632-L683 HydrophobicContact CD2-CG 4.47Å
633	A	90	Very high	82.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.21	C	C	.	.			trans	-67.5	175	169.8	0	0	0	0	0	112.7	K491 S605 H608 I655	K491-A633 VanDerWaalsContact CE-O 3.23Å; K491-A633 WeakPolarHBondContact CE-O 3.17Å; K491-A633 PolarHBondContact NZ-O 2.91Å; S605-A633 WeakPolarHBondContact O-CA 3.35Å; S605-A633 WeakPolarHBondContact O-CB 3.47Å; H608-A633 PolarHBondContact ND1-N 2.88Å; A633-I655 HydrophobicContact CB-CB 4.42Å; A633-I655 HydrophobicContact CB-CD1 4.04Å; A633-I655 HydrophobicContact CB-CG1 3.82Å; A633-I655 HydrophobicContact CB-CG2 3.75Å
634	G	86.3	Confident	81.2	Confident	3 Å²	3	32.9 Å²	32.9	3%	0.031	20%	0.199	C	C	.	.			trans	-56.5	155	171.3	0	0	0	0	0	114.1	S605 E636 I655 L659	S605-G634 PolarHBondContact O-N 2.74Å; G634-E636 WeakPolarHBondContact CA-OE2 3.48Å; G634-I655 WeakPolarHBondContact O-CG2 3.46Å; G634-L659 WeakPolarHBondContact O-CD1 3.33Å
635	N	84.3	Confident	80.3	Confident	19 Å²	19	37.3 Å²	37.3	10%	0.102	22%	0.224	C	C	.	.			trans	-119.1	12.7	175.1	79.4	-13.2	0	0	0	113.3	Y484 G485 Q486 L659 T717	Y484-N635 VanDerWaalsContact CE1-ND2 3.27Å; Y484-N635 WeakPolarHBondContact CE1-ND2 3.4Å; Y484-N635 HydrophobicContact CE2-CB 4.01Å; Y484-N635 PolarHBondContact OH-ND2 3.39Å; Y484-N635 VanDerWaalsContact OH-ND2 3.07Å; G485-N635 VanDerWaalsContact C-CG 3.49Å; Q486-N635 WeakPolarHBondContact CA-OD1 3.39Å; Q486-N635 PolarHBondContact N-OD1 3.07Å; N635-L659 HydrophobicContact CB-CD1 3.85Å; N635-T717 PolarHBondContact ND2-OG1 2.77Å
636	E	73.2	Confident	79.8	Confident	46 Å²	46	44.3 Å²	44.3	22%	0.215	25%	0.25	C	C	.	.			trans	-58.6	163.7	168.8	54.5	-89.5	-158.5	0	0	112.8	Q486 T487 G634	Q486-E636 WeakPolarHBondContact CA-OE2 3.48Å; T487-E636 WeakPolarHBondContact CB-OE1 3.45Å; T487-E636 PolarHBondContact N-OE2 3.13Å; T487-E636 PolarHBondContact OG1-OE1 3.37Å; G634-E636 WeakPolarHBondContact CA-OE2 3.48Å
637	R	67.9	Low	79	Confident	93 Å²	93	47.4 Å²	47.4	35%	0.351	27%	0.265	S	S	.	.			trans	-92.6	150.1	-168.4	-66.5	178	170.8	160.1	-0.6	111.2	V639 D640 E712 N716	R637-V639 HydrophobicContact CB-CG2 3.81Å; R637-V639 PolarHBondContact O-N 2.87Å; R637-D640 WeakPolarHBondContact CA-OD2 3.29Å; R637-D640 WeakPolarHBondContact CB-OD2 3.32Å; R637-D640 PolarHBondContact N-OD2 3.1Å; R637-D640 VanDerWaalsContact O-CB 3.3Å; R637-D640 WeakPolarHBondContact O-CB 3.48Å; R637-D640 PolarHBondContact O-N 3.43Å; R637-E712 IonicContact CZ-OE1 2.86Å; R637-E712 IonicContact CZ-OE2 2.85Å; R637-E712 IonicContact NH1-OE1 2.9Å; R637-E712 PolarHBondContact NH1-OE1 2.87Å; R637-E712 IonicContact NH1-OE2 3.17Å; R637-E712 PolarHBondContact NH1-OE2 3.17Å; R637-E712 VanDerWaalsContact NH2-CD 3.28Å; R637-E712 IonicContact NH2-OE1 3.05Å; R637-E712 PolarHBondContact NH2-OE1 3.11Å; R637-E712 IonicContact NH2-OE2 3Å; R637-N716 PolarHBondContact NH2-ND2 3.47Å
638	G	64.5	Low	78.2	Confident	45 Å²	45	48.3 Å²	48.3	46%	0.464	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.3	172.9	0	0	0	0	0	115	D640 T641 S642	G638-D640 VanDerWaalsContact C-N 3.34Å; G638-T641 CarbonylContact O-C 3.51Å; G638-T641 PolarHBondContact O-N 2.92Å; G638-T641 PolarHBondContact O-OG1 3.39Å; G638-S642 PolarHBondContact O-N 3.34Å; G638-S642 VanDerWaalsContact O-N 3.12Å
639	V	66.1	Low	77.4	Confident	99 Å²	99	54.3 Å²	54.3	60%	0.6	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-33.7	171.2	-59.4	0	0	0	0	111.7	R637 T641 S642	R637-V639 HydrophobicContact CB-CG2 3.81Å; R637-V639 PolarHBondContact O-N 2.87Å; V639-T641 PolarHBondContact O-N 2.92Å; V639-S642 WeakPolarHBondContact O-CB 3.06Å; V639-S642 PolarHBondContact O-N 3.45Å; V639-S642 PolarHBondContact O-OG 3.01Å
640	D	65.3	Low	76.8	Confident	84 Å²	84	57.9 Å²	57.9	45%	0.449	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.2	178.8	-45.7	-41.6	0	0	0	111.7	R637 G638 H713	R637-D640 WeakPolarHBondContact CA-OD2 3.29Å; R637-D640 WeakPolarHBondContact CB-OD2 3.32Å; R637-D640 PolarHBondContact N-OD2 3.1Å; R637-D640 VanDerWaalsContact O-CB 3.3Å; R637-D640 WeakPolarHBondContact O-CB 3.48Å; R637-D640 PolarHBondContact O-N 3.43Å; G638-D640 VanDerWaalsContact C-N 3.34Å; D640-H713 IonicContact OD2-CE1 2.71Å; D640-H713 PolarHBondContact OD2-CE1 2.79Å; D640-H713 VanDerWaalsContact OD2-CE1 3.31Å
641	T	65.4	Low	76.1	Confident	36 Å²	36	58.2 Å²	58.2	22%	0.221	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	11.9	176.7	60.7	0	0	0	0	113	G638 V639 S643 S644 T648	G638-T641 CarbonylContact O-C 3.51Å; G638-T641 PolarHBondContact O-N 2.92Å; G638-T641 PolarHBondContact O-OG1 3.39Å; V639-T641 PolarHBondContact O-N 2.92Å; T641-S643 VanDerWaalsContact C-N 3.34Å; T641-S643 PolarHBondContact O-N 2.83Å; T641-S644 VanDerWaalsContact O-CB 3.29Å; T641-S644 WeakPolarHBondContact O-CB 3.25Å; T641-S644 PolarHBondContact O-N 3.46Å; T641-S644 PolarHBondContact O-OG 3.09Å; T641-T648 HydrophobicContact CG2-CG2 4.46Å
642	S	62.6	Low	75.5	Confident	73 Å²	73	58.9 Å²	58.9	51%	0.51	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-44.5	-175.9	52.2	0	0	0	0	113.4	G638 V639 S644 R649	G638-S642 PolarHBondContact O-N 3.34Å; G638-S642 VanDerWaalsContact O-N 3.12Å; V639-S642 WeakPolarHBondContact O-CB 3.06Å; V639-S642 PolarHBondContact O-N 3.45Å; V639-S642 PolarHBondContact O-OG 3.01Å; S642-S644 VanDerWaalsContact C-N 3.25Å; S642-S644 PolarHBondContact O-N 3.08Å; S642-R649 PolarHBondContact O-NH2 3.22Å
643	S	64.5	Low	75.1	Confident	120 Å²	120	61.6 Å²	61.6	84%	0.839	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	2.4	177.3	56.3	0	0	0	0	115.3	T641	T641-S643 VanDerWaalsContact C-N 3.34Å; T641-S643 PolarHBondContact O-N 2.83Å
644	S	67	Low	75.1	Confident	29 Å²	29	64.1 Å²	64.1	20%	0.203	35%	0.353	C	S	.	.	S	Bend	trans	-85.5	164.5	179.7	73.6	0	0	0	0	113.4	T641 S642 T648 R649	T641-S644 VanDerWaalsContact O-CB 3.29Å; T641-S644 WeakPolarHBondContact O-CB 3.25Å; T641-S644 PolarHBondContact O-N 3.46Å; T641-S644 PolarHBondContact O-OG 3.09Å; S642-S644 VanDerWaalsContact C-N 3.25Å; S642-S644 PolarHBondContact O-N 3.08Å; S644-T648 VanDerWaalsContact OG-CB 3.29Å; S644-T648 WeakPolarHBondContact OG-CB 3.26Å; S644-T648 WeakPolarHBondContact OG-CG2 3.15Å; S644-R649 PolarHBondContact O-NH2 3.5Å
645	D	74.8	Confident	75.1	Confident	107 Å²	107	64.9 Å²	64.9	57%	0.572	36%	0.356	S	S	*	.			trans	-56.4	155	177	171.1	51.2	0	0	0	113.9	H647 T648 R649	D645-H647 PolarHBondContact O-N 3.42Å; D645-H647 VanDerWaalsContact O-N 3.15Å; D645-H647 WeakPolarHBondContact OD2-CB 3.47Å; D645-H647 PolarHBondContact OD2-N 2.97Å; D645-H647 VanDerWaalsContact OD2-N 3.13Å; D645-T648 PolarHBondContact O-N 3.4Å; D645-R649 PolarHBondContact O-N 3.36Å
646	R	81.2	Confident	75.2	Confident	147 Å²	147	66.9 Å²	66.9	56%	0.555	37%	0.367	S	S	*	.	H	α-helix	trans	-49.2	-43.8	179.6	-171.6	-167.2	179.1	-139.3	1.2	110.6	R649 M650 E851	R646-R649 PolarHBondContact O-N 3.26Å; R646-M650 HydrophobicContact CG-CE 3.97Å; R646-M650 HydrophobicContact CG-SD 4.13Å; R646-M650 WeakPolarHBondContact O-CG 3.11Å; R646-M650 PolarHBondContact O-N 2.83Å; R646-E851 IonicContact NH2-OE1 3.58Å; R646-E851 PolarHBondContact NH2-OE1 2.91Å; R646-E851 VanDerWaalsContact NH2-OE1 3.14Å
647	H	77.9	Confident	76	Confident	88 Å²	88	68.5 Å²	68.5	41%	0.407	37%	0.373	S	S	.	.	H	α-helix	trans	-61.2	-47	-180	-173.8	51.4	0	0	0	112.2	Y542 D645 R649 M650 E651	Y542-H647 PolarHBondContact OH-CE1 2.93Å; Y542-H647 VanDerWaalsContact OH-CE1 3.24Å; Y542-H647 PolarHBondContact OH-NE2 3.4Å; Y542-H647 VanDerWaalsContact OH-NE2 3.12Å; D645-H647 PolarHBondContact O-N 3.42Å; D645-H647 VanDerWaalsContact O-N 3.15Å; D645-H647 WeakPolarHBondContact OD2-CB 3.47Å; D645-H647 PolarHBondContact OD2-N 2.97Å; D645-H647 VanDerWaalsContact OD2-N 3.13Å; H647-R649 VanDerWaalsContact C-N 3.3Å; H647-R649 PolarHBondContact O-N 3.1Å; H647-M650 PolarHBondContact O-N 3.1Å; H647-E651 IonicContact NE2-OE1 3.7Å; H647-E651 WeakPolarHBondContact O-CG 3.5Å; H647-E651 PolarHBondContact O-N 2.98Å
648	T	77.5	Confident	77.1	Confident	19 Å²	19	64.5 Å²	64.5	12%	0.117	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-36.3	178	-59.1	0	0	0	0	112	R606 T641 S644 D645 E651 G652	R606-T648 VanDerWaalsContact NH1-CG2 3.35Å; R606-T648 PolarHBondContact NH1-OG1 3.22Å; T641-T648 HydrophobicContact CG2-CG2 4.46Å; S644-T648 VanDerWaalsContact OG-CB 3.29Å; S644-T648 WeakPolarHBondContact OG-CB 3.26Å; S644-T648 WeakPolarHBondContact OG-CG2 3.15Å; D645-T648 PolarHBondContact O-N 3.4Å; T648-E651 WeakPolarHBondContact CA-OE2 3.4Å; T648-G652 PolarHBondContact O-N 3.39Å
649	R	79.5	Confident	78.3	Confident	129 Å²	129	62.4 Å²	62.4	49%	0.487	34%	0.338	S	S	.	.	H	α-helix	trans	-67.1	-41.1	176.5	-162.7	179.5	-62.2	121.1	5.6	112	S642 S644 D645 R646 H647 G652 A653	S642-R649 PolarHBondContact O-NH2 3.22Å; S644-R649 PolarHBondContact O-NH2 3.5Å; D645-R649 PolarHBondContact O-N 3.36Å; R646-R649 PolarHBondContact O-N 3.26Å; H647-R649 VanDerWaalsContact C-N 3.3Å; H647-R649 PolarHBondContact O-N 3.1Å; R649-G652 PolarHBondContact O-N 3.01Å; R649-A653 PolarHBondContact O-N 2.84Å
650	M	82.2	Confident	79.3	Confident	75 Å²	75	62.4 Å²	62.4	37%	0.369	33%	0.334	S	S	.	.	H	α-helix	trans	-68	-42.9	177.2	-67.2	-176.8	-56.6	0	0	112.3	R646 H647 G652 A653 E654	R646-M650 HydrophobicContact CG-CE 3.97Å; R646-M650 HydrophobicContact CG-SD 4.13Å; R646-M650 WeakPolarHBondContact O-CG 3.11Å; R646-M650 PolarHBondContact O-N 2.83Å; H647-M650 PolarHBondContact O-N 3.1Å; M650-G652 VanDerWaalsContact C-N 3.33Å; M650-G652 PolarHBondContact O-N 3.02Å; M650-A653 WeakPolarHBondContact O-CB 3.37Å; M650-A653 PolarHBondContact O-N 2.99Å; M650-E654 PolarHBondContact O-N 2.89Å
651	E	81.1	Confident	80.4	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.037	32%	0.315	C	S	.	.	H	α-helix	trans	-56.7	-46.9	171.2	-68.5	171.7	140.6	0	0	111.5	Y542 R606 H647 T648 A653 E654 I655	Y542-E651 HydrophobicContact CE2-CG 3.91Å; Y542-E651 WeakPolarHBondContact CE2-OE1 3.49Å; Y542-E651 VanDerWaalsContact CZ-OE1 3.25Å; Y542-E651 PolarHBondContact OH-OE1 3.21Å; R606-E651 WeakPolarHBondContact CD-OE2 3.35Å; R606-E651 IonicContact CZ-OE2 3.58Å; R606-E651 IonicContact NE-OE2 3Å; R606-E651 IonicContact NH1-OE2 3.4Å; R606-E651 PolarHBondContact NH1-OE2 3.15Å; H647-E651 IonicContact NE2-OE1 3.7Å; H647-E651 WeakPolarHBondContact O-CG 3.5Å; H647-E651 PolarHBondContact O-N 2.98Å; T648-E651 WeakPolarHBondContact CA-OE2 3.4Å; E651-A653 VanDerWaalsContact C-N 3.27Å; E651-A653 PolarHBondContact O-N 2.98Å; E651-E654 PolarHBondContact O-N 3.28Å; E651-I655 WeakPolarHBondContact O-CB 3.3Å; E651-I655 WeakPolarHBondContact O-CD1 3.39Å; E651-I655 WeakPolarHBondContact O-CG1 3.47Å; E651-I655 PolarHBondContact O-N 3.39Å
652	G	81.8	Confident	81.5	Confident	16 Å²	16	57 Å²	57	17%	0.165	31%	0.305	C	S	.	.	H	α-helix	trans	-61.5	-33.4	178.3	0	0	0	0	0	113.4	T648 R649 M650 N656	T648-G652 PolarHBondContact O-N 3.39Å; R649-G652 PolarHBondContact O-N 3.01Å; M650-G652 VanDerWaalsContact C-N 3.33Å; M650-G652 PolarHBondContact O-N 3.02Å; G652-N656 WeakPolarHBondContact O-CB 3.25Å; G652-N656 PolarHBondContact O-N 3.4Å; G652-N656 PolarHBondContact O-ND2 3.16Å
653	A	84.8	Confident	82.5	Confident	57 Å²	57	56.3 Å²	56.3	47%	0.471	29%	0.292	S	S	.	.	H	α-helix	trans	-67.5	-49.6	173	0	0	0	0	0	111.4	R649 M650 E651 I655 N656 K657	R649-A653 PolarHBondContact O-N 2.84Å; M650-A653 WeakPolarHBondContact O-CB 3.37Å; M650-A653 PolarHBondContact O-N 2.99Å; E651-A653 VanDerWaalsContact C-N 3.27Å; E651-A653 PolarHBondContact O-N 2.98Å; A653-I655 PolarHBondContact O-N 3.09Å; A653-N656 CarbonylContact O-C 3.55Å; A653-N656 PolarHBondContact O-N 2.61Å; A653-N656 VanDerWaalsContact O-N 3.11Å; A653-K657 WeakPolarHBondContact O-CB 3.44Å; A653-K657 PolarHBondContact O-N 3.43Å
654	E	88.5	Confident	83.4	Confident	53 Å²	53	53.7 Å²	53.7	25%	0.248	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-35.5	179.2	-85	-63.1	115.3	0	0	113.5	G544 M650 E651 K657 S658	G544-E654 VanDerWaalsContact CA-OE2 3.27Å; G544-E654 WeakPolarHBondContact CA-OE2 3.41Å; G544-E654 PolarHBondContact N-OE2 2.98Å; M650-E654 PolarHBondContact O-N 2.89Å; E651-E654 PolarHBondContact O-N 3.28Å; E654-K657 PolarHBondContact O-N 3.38Å; E654-K657 WeakPolarHBondContact OE1-CD 3.33Å; E654-S658 WeakPolarHBondContact O-CB 3.36Å; E654-S658 PolarHBondContact O-N 3.14Å; E654-S658 PolarHBondContact O-OG 3.34Å
655	I	87.3	Confident	84.1	Confident	19 Å²	19	52.3 Å²	52.3	10%	0.097	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-46.2	170.9	-69.3	162.3	0	0	0	110	R606 A633 G634 E651 A653 S658 L659	R606-I655 HydrophobicContact CB-CD1 4.2Å; A633-I655 HydrophobicContact CB-CB 4.42Å; A633-I655 HydrophobicContact CB-CD1 4.04Å; A633-I655 HydrophobicContact CB-CG1 3.82Å; A633-I655 HydrophobicContact CB-CG2 3.75Å; G634-I655 WeakPolarHBondContact O-CG2 3.46Å; E651-I655 WeakPolarHBondContact O-CB 3.3Å; E651-I655 WeakPolarHBondContact O-CD1 3.39Å; E651-I655 WeakPolarHBondContact O-CG1 3.47Å; E651-I655 PolarHBondContact O-N 3.39Å; A653-I655 PolarHBondContact O-N 3.09Å; I655-S658 PolarHBondContact O-OG 2.85Å; I655-S658 VanDerWaalsContact O-OG 3.04Å; I655-L659 HydrophobicContact CG2-CD1 4.05Å; I655-L659 WeakPolarHBondContact O-CB 3.3Å; I655-L659 VanDerWaalsContact O-CG 3.28Å; I655-L659 WeakPolarHBondContact O-CG 3.48Å; I655-L659 PolarHBondContact O-N 2.68Å
656	N	86.4	Confident	84.3	Confident	61 Å²	61	47.5 Å²	47.5	33%	0.326	23%	0.231	S	C	.	.	H	α-helix	trans	-69.8	-37.4	177.4	-81.6	-73.7	0	0	0	112.9	G652 A653 L659 L660	G652-N656 WeakPolarHBondContact O-CB 3.25Å; G652-N656 PolarHBondContact O-N 3.4Å; G652-N656 PolarHBondContact O-ND2 3.16Å; A653-N656 CarbonylContact O-C 3.55Å; A653-N656 PolarHBondContact O-N 2.61Å; A653-N656 VanDerWaalsContact O-N 3.11Å; N656-L659 PolarHBondContact O-N 2.92Å; N656-L660 WeakPolarHBondContact O-CB 3.47Å; N656-L660 PolarHBondContact O-N 3.29Å
657	K	89.6	Confident	84	Confident	81 Å²	81	45 Å²	45	35%	0.352	22%	0.222	S	C	.	.	H	α-helix	trans	-58.3	-48	174	-159.8	175.9	-163.3	164.2	0	110.5	A653 E654 L660 A661 D824	A653-K657 WeakPolarHBondContact O-CB 3.44Å; A653-K657 PolarHBondContact O-N 3.43Å; E654-K657 PolarHBondContact O-N 3.38Å; E654-K657 WeakPolarHBondContact OE1-CD 3.33Å; K657-L660 PolarHBondContact O-N 2.99Å; K657-A661 WeakPolarHBondContact O-CB 3.23Å; K657-A661 PolarHBondContact O-N 2.75Å; K657-D824 IonicContact NZ-OD1 2.82Å; K657-D824 PolarHBondContact NZ-OD1 2.97Å; K657-D824 IonicContact NZ-OD2 2.79Å; K657-D824 PolarHBondContact NZ-OD2 2.69Å
658	S	91.8	Very high	84	Confident	8 Å²	8	41.1 Å²	41.1	6%	0.056	21%	0.205	C	C	.	.	H	α-helix	trans	-70.5	-37.4	178.5	52.6	0	0	0	0	114.3	H608 E654 I655 L662	H608-S658 PolarHBondContact NE2-OG 3.2Å; E654-S658 WeakPolarHBondContact O-CB 3.36Å; E654-S658 PolarHBondContact O-N 3.14Å; E654-S658 PolarHBondContact O-OG 3.34Å; I655-S658 PolarHBondContact O-OG 2.85Å; I655-S658 VanDerWaalsContact O-OG 3.04Å; S658-L662 WeakPolarHBondContact O-CB 2.94Å; S658-L662 PolarHBondContact O-N 2.58Å
659	L	88	Confident	83.8	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-71.9	-29.2	173.1	-68.1	179.2	0	0	0	113	Y484 L632 G634 N635 I655 N656 K663	Y484-L659 HydrophobicContact CD2-CD2 4.1Å; Y484-L659 HydrophobicContact CE2-CD1 4.21Å; Y484-L659 HydrophobicContact CE2-CD2 3.99Å; L632-L659 HydrophobicContact CD1-CD2 4.13Å; G634-L659 WeakPolarHBondContact O-CD1 3.33Å; N635-L659 HydrophobicContact CB-CD1 3.85Å; I655-L659 HydrophobicContact CG2-CD1 4.05Å; I655-L659 WeakPolarHBondContact O-CB 3.3Å; I655-L659 VanDerWaalsContact O-CG 3.28Å; I655-L659 WeakPolarHBondContact O-CG 3.48Å; I655-L659 PolarHBondContact O-N 2.68Å; N656-L659 PolarHBondContact O-N 2.92Å; L659-K663 WeakPolarHBondContact O-CD 3.45Å; L659-K663 VanDerWaalsContact O-CG 3.28Å; L659-K663 WeakPolarHBondContact O-CG 3.49Å; L659-K663 PolarHBondContact O-N 3.27Å
660	L	87.7	Confident	83.1	Confident	100 Å²	100	38.5 Å²	38.5	52%	0.524	21%	0.21	S	C	.	.	H	α-helix	trans	-72.9	-42.6	172.3	-177.1	60.4	0	0	0	111.7	N656 K657 L662 K663 E664	N656-L660 WeakPolarHBondContact O-CB 3.47Å; N656-L660 PolarHBondContact O-N 3.29Å; K657-L660 PolarHBondContact O-N 2.99Å; L660-L662 VanDerWaalsContact C-N 3.27Å; L660-L662 PolarHBondContact O-N 3.2Å; L660-K663 HydrophobicContact CD1-CD 4.5Å; L660-K663 WeakPolarHBondContact O-CB 3.44Å; L660-K663 PolarHBondContact O-N 2.61Å; L660-E664 HydrophobicContact CD1-CG 4.34Å; L660-E664 WeakPolarHBondContact O-CG 3.3Å; L660-E664 PolarHBondContact O-N 3.33Å
661	A	89.9	Confident	82.5	Confident	7 Å²	7	42.4 Å²	42.4	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-57.4	-42.2	171.5	0	0	0	0	0	111.6	K657 E664 C665 A680 S681 T684	K657-A661 WeakPolarHBondContact O-CB 3.23Å; K657-A661 PolarHBondContact O-N 2.75Å; A661-E664 PolarHBondContact O-N 3.31Å; A661-C665 WeakPolarHBondContact O-CB 3.17Å; A661-C665 PolarHBondContact O-N 2.56Å; A661-C665 PolarHBondContact O-SG 3.06Å; A661-A680 HydrophobicContact CB-CB 3.81Å; A661-S681 WeakPolarHBondContact CB-OG 3.13Å; A661-T684 HydrophobicContact CB-CG2 3.86Å
662	L	87.9	Confident	81.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-44.6	175.7	-174.3	63.9	0	0	0	111.8	F482 L632 S658 L660 E664 C665 I666 L683 T684 L687 F691	F482-L662 HydrophobicContact CE2-CD2 4.43Å; L632-L662 HydrophobicContact CD1-CD2 4.07Å; S658-L662 WeakPolarHBondContact O-CB 2.94Å; S658-L662 PolarHBondContact O-N 2.58Å; L660-L662 VanDerWaalsContact C-N 3.27Å; L660-L662 PolarHBondContact O-N 3.2Å; L662-E664 VanDerWaalsContact C-N 3.32Å; L662-E664 PolarHBondContact O-N 2.83Å; L662-C665 PolarHBondContact O-N 3.42Å; L662-I666 HydrophobicContact CD1-CD1 3.98Å; L662-I666 HydrophobicContact CD1-CG1 4.43Å; L662-I666 HydrophobicContact CG-CD1 4.03Å; L662-I666 WeakPolarHBondContact O-CB 3.19Å; L662-I666 WeakPolarHBondContact O-CG1 3.47Å; L662-I666 PolarHBondContact O-N 2.75Å; L662-L683 HydrophobicContact CD2-CD2 4.41Å; L662-T684 HydrophobicContact CB-CG2 4.24Å; L662-T684 HydrophobicContact CD1-CG2 4.43Å; L662-L687 HydrophobicContact CD1-CD1 4.01Å; L662-F691 HydrophobicContact CD1-CE2 3.96Å; L662-F691 HydrophobicContact CD1-CZ 4.01Å
663	K	82.4	Confident	80.5	Confident	58 Å²	58	54.2 Å²	54.2	25%	0.252	29%	0.288	S	S	.	.	H	α-helix	trans	-53.3	-48.4	173.2	-79.9	155.8	-175	168.3	0	111.7	L659 L660 I666 R667 Y720	L659-K663 WeakPolarHBondContact O-CD 3.45Å; L659-K663 VanDerWaalsContact O-CG 3.28Å; L659-K663 WeakPolarHBondContact O-CG 3.49Å; L659-K663 PolarHBondContact O-N 3.27Å; L660-K663 HydrophobicContact CD1-CD 4.5Å; L660-K663 WeakPolarHBondContact O-CB 3.44Å; L660-K663 PolarHBondContact O-N 2.61Å; K663-I666 PolarHBondContact O-N 2.73Å; K663-R667 VanDerWaalsContact O-CB 3.28Å; K663-R667 WeakPolarHBondContact O-CB 3.19Å; K663-R667 PolarHBondContact O-N 3.07Å; K663-Y720 HydrophobicContact CB-CE2 4Å; K663-Y720 HydrophobicContact CD-CD2 4.4Å; K663-Y720 HydrophobicContact CD-CE2 4.37Å; K663-Y720 HydrophobicContact CG-CD2 3.58Å; K663-Y720 HydrophobicContact CG-CE2 3.19Å; K663-Y720 HydrophobicContact CG-CG 4.42Å
664	E	83.1	Confident	79.7	Confident	65 Å²	65	53.7 Å²	53.7	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-76.2	-33.9	-175.3	-67.5	-60.8	96.7	0	0	113.3	L660 A661 L662 R667 A668 P677	L660-E664 HydrophobicContact CD1-CG 4.34Å; L660-E664 WeakPolarHBondContact O-CG 3.3Å; L660-E664 PolarHBondContact O-N 3.33Å; A661-E664 PolarHBondContact O-N 3.31Å; L662-E664 VanDerWaalsContact C-N 3.32Å; L662-E664 PolarHBondContact O-N 2.83Å; E664-R667 VanDerWaalsContact CD-NE 3.26Å; E664-R667 WeakPolarHBondContact OE1-CD 3.32Å; E664-R667 IonicContact OE1-CZ 2.89Å; E664-R667 IonicContact OE1-NE 2.69Å; E664-R667 PolarHBondContact OE1-NE 2.97Å; E664-R667 IonicContact OE2-CZ 2.68Å; E664-R667 IonicContact OE2-NE 3.81Å; E664-R667 PolarHBondContact OE2-NE 2.78Å; E664-R667 IonicContact OE2-NH2 3.7Å; E664-R667 PolarHBondContact OE2-NH2 3.46Å; E664-A668 WeakPolarHBondContact O-CB 3.34Å; E664-A668 PolarHBondContact O-N 2.97Å; E664-P677 HydrophobicContact CB-CG 4.32Å
665	C	83.2	Confident	79.2	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-47.7	169.3	-70.3	0	0	0	0	111.1	A661 L662 A668 L669 F678 T684	A661-C665 WeakPolarHBondContact O-CB 3.17Å; A661-C665 PolarHBondContact O-N 2.56Å; A661-C665 PolarHBondContact O-SG 3.06Å; L662-C665 PolarHBondContact O-N 3.42Å; C665-A668 PolarHBondContact O-N 3.49Å; C665-L669 WeakPolarHBondContact O-CG 3.49Å; C665-L669 PolarHBondContact O-N 3.19Å; C665-F678 HydrophobicContact CB-CE1 4.48Å; C665-T684 HydrophobicContact CB-CG2 4.39Å
666	I	77.9	Confident	78.8	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-64.2	-46.1	179	-75.3	178.9	0	0	0	111	F482 L662 K663 A668 L669 F691 V724 L727	F482-I666 HydrophobicContact CZ-CD1 4.13Å; L662-I666 HydrophobicContact CD1-CD1 3.98Å; L662-I666 HydrophobicContact CD1-CG1 4.43Å; L662-I666 HydrophobicContact CG-CD1 4.03Å; L662-I666 WeakPolarHBondContact O-CB 3.19Å; L662-I666 WeakPolarHBondContact O-CG1 3.47Å; L662-I666 PolarHBondContact O-N 2.75Å; K663-I666 PolarHBondContact O-N 2.73Å; I666-A668 PolarHBondContact O-N 3.37Å; I666-L669 PolarHBondContact O-N 2.87Å; I666-F691 HydrophobicContact CD1-CE1 4.41Å; I666-F691 HydrophobicContact CD1-CZ 4.12Å; I666-F691 HydrophobicContact CG1-CE1 4.2Å; I666-F691 HydrophobicContact CG1-CZ 4.11Å; I666-V724 HydrophobicContact CD1-CG1 4.44Å; I666-V724 HydrophobicContact CG2-CB 4.16Å; I666-V724 HydrophobicContact CG2-CG1 3.91Å; I666-V724 HydrophobicContact CG2-CG2 3.79Å; I666-L727 HydrophobicContact CB-CD1 4.43Å; I666-L727 HydrophobicContact CG2-CD1 3.43Å; I666-L727 VanDerWaalsContact CG2-CD1 3.43Å; I666-L727 VanDerWaalsContact O-CD1 3.24Å; I666-L727 WeakPolarHBondContact O-CD1 3.43Å
667	R	74.9	Confident	78.6	Confident	96 Å²	96	59 Å²	59	36%	0.362	31%	0.31	S	S	.	.	H	α-helix	trans	-59.6	-29.2	173.8	-167.1	-169	60.1	63	-10.2	113.2	K663 E664	K663-R667 VanDerWaalsContact O-CB 3.28Å; K663-R667 WeakPolarHBondContact O-CB 3.19Å; K663-R667 PolarHBondContact O-N 3.07Å; E664-R667 VanDerWaalsContact CD-NE 3.26Å; E664-R667 WeakPolarHBondContact OE1-CD 3.32Å; E664-R667 IonicContact OE1-CZ 2.89Å; E664-R667 IonicContact OE1-NE 2.69Å; E664-R667 PolarHBondContact OE1-NE 2.97Å; E664-R667 IonicContact OE2-CZ 2.68Å; E664-R667 IonicContact OE2-NE 3.81Å; E664-R667 PolarHBondContact OE2-NE 2.78Å; E664-R667 IonicContact OE2-NH2 3.7Å; E664-R667 PolarHBondContact OE2-NH2 3.46Å
668	A	77.7	Confident	78.4	Confident	5 Å²	5	55.4 Å²	55.4	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-83.8	-29.5	178.9	0	0	0	0	0	113.1	E664 C665 I666 G670 R671 A674 L676	E664-A668 WeakPolarHBondContact O-CB 3.34Å; E664-A668 PolarHBondContact O-N 2.97Å; C665-A668 PolarHBondContact O-N 3.49Å; I666-A668 PolarHBondContact O-N 3.37Å; A668-G670 VanDerWaalsContact C-N 3.28Å; A668-G670 PolarHBondContact O-N 3.32Å; A668-R671 CarbonylContact O-C 3.44Å; A668-R671 WeakPolarHBondContact O-CA 3.37Å; A668-R671 PolarHBondContact O-N 3.42Å; A668-A674 HydrophobicContact CB-CB 4.49Å; A668-L676 HydrophobicContact CB-CD2 3.6Å
669	L	74.1	Confident	78.2	Confident	48 Å²	48	62.9 Å²	62.9	25%	0.251	32%	0.321	S	S	.	.	H	α-helix	trans	-58.5	-37.3	174.9	-73.6	167.2	0	0	0	112.8	C665 I666 R671 L676 F691	C665-L669 WeakPolarHBondContact O-CG 3.49Å; C665-L669 PolarHBondContact O-N 3.19Å; I666-L669 PolarHBondContact O-N 2.87Å; L669-R671 PolarHBondContact O-N 2.9Å; L669-L676 HydrophobicContact CD2-CD1 3.78Å; L669-L676 HydrophobicContact CD2-CD2 3.97Å; L669-L676 HydrophobicContact CG-CD2 4.1Å; L669-F691 HydrophobicContact CD1-CB 3.96Å; L669-F691 HydrophobicContact CD1-CD1 3.48Å; L669-F691 VanDerWaalsContact CD1-CD1 3.48Å; L669-F691 HydrophobicContact CD1-CE1 4.16Å; L669-F691 HydrophobicContact CD1-CG 3.89Å; L669-F691 HydrophobicContact CD2-CB 4.36Å
670	G	65.5	Low	78.3	Confident	45 Å²	45	65.6 Å²	65.6	46%	0.464	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.4	174.8	0	0	0	0	0	114.4	A668 L727	A668-G670 VanDerWaalsContact C-N 3.28Å; A668-G670 PolarHBondContact O-N 3.32Å; G670-L727 VanDerWaalsContact CA-CD2 3.5Å
671	R	69.5	Low	78.5	Confident	158 Å²	158	61.4 Å²	61.4	60%	0.596	32%	0.322	S	S	*	.	S	Bend	trans	-104.3	77.6	180	-62.3	-174	-176.2	-168.2	0.8	109.2	A668 L669 G673 A674	A668-R671 CarbonylContact O-C 3.44Å; A668-R671 WeakPolarHBondContact O-CA 3.37Å; A668-R671 PolarHBondContact O-N 3.42Å; L669-R671 PolarHBondContact O-N 2.9Å; R671-G673 PolarHBondContact O-N 2.96Å; R671-A674 HydrophobicContact CB-CB 4.21Å; R671-A674 VanDerWaalsContact O-CB 3.3Å; R671-A674 WeakPolarHBondContact O-CB 3.02Å; R671-A674 PolarHBondContact O-N 3.08Å
672	R	59.6	Low	78.5	Confident	183 Å²	183	64.1 Å²	64.1	69%	0.691	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.2	124.3	177.8	-71.8	-170.6	179.9	-141.3	10.9	111.3	L732	R672-L732 VanDerWaalsContact NH2-CB 3.32Å; R672-L732 PolarHBondContact NH2-O 2.75Å; R672-L732 VanDerWaalsContact NH2-O 3.07Å
673	G	60.9	Low	78.7	Confident	89 Å²	89	64.1 Å²	64.1	92%	0.918	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	-5	178.1	0	0	0	0	0	115.9	R671	R671-G673 PolarHBondContact O-N 2.96Å
674	A	67.8	Low	79	Confident	45 Å²	45	61.4 Å²	61.4	37%	0.372	32%	0.321	S	S	.	.	S	Bend	trans	-70	144.7	170.6	0	0	0	0	0	111.8	A668 R671 L676	A668-A674 HydrophobicContact CB-CB 4.49Å; R671-A674 HydrophobicContact CB-CB 4.21Å; R671-A674 VanDerWaalsContact O-CB 3.3Å; R671-A674 WeakPolarHBondContact O-CB 3.02Å; R671-A674 PolarHBondContact O-N 3.08Å; A674-L676 PolarHBondContact O-N 3.39Å
675	H	78.3	Confident	79.3	Confident	166 Å²	166	59.7 Å²	59.7	77%	0.769	31%	0.313	S	S	*	.			trans	-65.2	114.3	169.8	171.9	-90.5	0	0	0	110	P677	H675-P677 WeakPolarHBondContact O-CD 3.36Å
676	L	78.9	Confident	79.5	Confident	43 Å²	43	60.2 Å²	60.2	23%	0.225	32%	0.316	C	S	.	.			trans	-77	116.1	-179	-61.7	172.1	0	0	0	109.9	A668 L669 A674 F678	A668-L676 HydrophobicContact CB-CD2 3.6Å; L669-L676 HydrophobicContact CD2-CD1 3.78Å; L669-L676 HydrophobicContact CD2-CD2 3.97Å; L669-L676 HydrophobicContact CG-CD2 4.1Å; A674-L676 PolarHBondContact O-N 3.39Å; L676-F678 HydrophobicContact CB-CD2 3.62Å; L676-F678 HydrophobicContact CB-CE2 3.26Å; L676-F678 HydrophobicContact CB-CZ 3.93Å; L676-F678 HydrophobicContact CD1-CE2 3.5Å; L676-F678 HydrophobicContact CD1-CZ 3.8Å; L676-F678 HydrophobicContact CG-CE2 3.99Å; L676-F678 HydrophobicContact CG-CZ 4.41Å; L676-F678 PolarHBondContact O-N 3.5Å
677	P	82.3	Confident	79.8	Confident	37 Å²	37	60.1 Å²	60.1	24%	0.24	32%	0.316	C	S	.	.			trans	-79.7	44.2	-168.5	34.2	-37.8	0	0	0	113.7	E664 H675 R679 A680	E664-P677 HydrophobicContact CB-CG 4.32Å; H675-P677 WeakPolarHBondContact O-CD 3.36Å; P677-R679 PolarHBondContact O-N 3.27Å; P677-A680 VanDerWaalsContact O-CB 3.26Å; P677-A680 WeakPolarHBondContact O-CB 3.29Å; P677-A680 PolarHBondContact O-N 2.82Å
678	F	84.7	Confident	80.3	Confident	5 Å²	5	58.5 Å²	58.5	2%	0.022	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-53.8	-30.4	-174.1	-69.5	-67.2	0	0	0	114.1	C665 L676 A680 T684 Q685 R688 F691 I692	C665-F678 HydrophobicContact CB-CE1 4.48Å; L676-F678 HydrophobicContact CB-CD2 3.62Å; L676-F678 HydrophobicContact CB-CE2 3.26Å; L676-F678 HydrophobicContact CB-CZ 3.93Å; L676-F678 HydrophobicContact CD1-CE2 3.5Å; L676-F678 HydrophobicContact CD1-CZ 3.8Å; L676-F678 HydrophobicContact CG-CE2 3.99Å; L676-F678 HydrophobicContact CG-CZ 4.41Å; L676-F678 PolarHBondContact O-N 3.5Å; F678-A680 VanDerWaalsContact C-N 3.25Å; F678-A680 PolarHBondContact O-N 3.48Å; F678-T684 WeakPolarHBondContact CD1-O 3.23Å; F678-T684 CarbonylContact O-C 3.58Å; F678-T684 VanDerWaalsContact O-C 3.26Å; F678-T684 VanDerWaalsContact O-CB 3.29Å; F678-T684 WeakPolarHBondContact O-CB 3.31Å; F678-T684 PolarHBondContact O-OG1 2.62Å; F678-Q685 WeakPolarHBondContact O-CG 3.38Å; F678-Q685 PolarHBondContact O-N 3.3Å; F678-Q685 VanDerWaalsContact O-N 3.1Å; F678-R688 HydrophobicContact CB-CG 4.27Å; F678-R688 HydrophobicContact CD1-CB 4.25Å; F678-R688 HydrophobicContact CD1-CG 4.27Å; F678-R688 HydrophobicContact CD2-CG 3.85Å; F678-R688 HydrophobicContact CE2-CG 4.19Å; F678-R688 HydrophobicContact CG-CB 4.25Å; F678-R688 HydrophobicContact CG-CG 3.88Å; F678-F691 HydrophobicContact CE1-CB 3.93Å; F678-F691 HydrophobicContact CE1-CD2 4.01Å; F678-F691 HydrophobicContact CE1-CG 4.38Å; F678-F691 HydrophobicContact CZ-CB 3.93Å; F678-I692 HydrophobicContact CD2-CD1 4.16Å; F678-I692 HydrophobicContact CE2-CD1 3.48Å; F678-I692 VanDerWaalsContact CE2-CD1 3.48Å; F678-I692 HydrophobicContact CE2-CG1 3.61Å; F678-I692 HydrophobicContact CZ-CD1 4.05Å; F678-I692 HydrophobicContact CZ-CG1 3.7Å
679	R	87.9	Confident	80.3	Confident	165 Å²	165	60.1 Å²	60.1	62%	0.623	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-70.3	-15	179.8	-65.8	-175.8	-174.1	144.9	8	114.4	E560 P677 S681 Q685	E560-R679 IonicContact OE1-CZ 2.68Å; E560-R679 IonicContact OE1-NE 2.82Å; E560-R679 IonicContact OE1-NH2 3.77Å; E560-R679 PolarHBondContact OE1-NH2 3.17Å; E560-R679 IonicContact OE2-CZ 3.75Å; E560-R679 VanDerWaalsContact OE2-CZ 3.31Å; E560-R679 IonicContact OE2-NE 3.03Å; E560-R679 PolarHBondContact OE2-NE 2.93Å; E560-R679 IonicContact OE2-NH2 3.31Å; E560-R679 PolarHBondContact OE2-NH2 3.43Å; P677-R679 PolarHBondContact O-N 3.27Å; R679-S681 PolarHBondContact O-N 3.35Å; R679-S681 VanDerWaalsContact O-N 3.09Å; R679-Q685 PolarHBondContact O-NE2 3.04Å
680	A	89.8	Confident	80.4	Confident	57 Å²	57	57.9 Å²	57.9	47%	0.471	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-63.3	-15.5	-175.6	0	0	0	0	0	115.5	A661 P677 F678	A661-A680 HydrophobicContact CB-CB 3.81Å; P677-A680 VanDerWaalsContact O-CB 3.26Å; P677-A680 WeakPolarHBondContact O-CB 3.29Å; P677-A680 PolarHBondContact O-N 2.82Å; F678-A680 VanDerWaalsContact C-N 3.25Å; F678-A680 PolarHBondContact O-N 3.48Å
681	S	92.3	Very high	80.9	Confident	12 Å²	12	57 Å²	57	8%	0.084	29%	0.29	C	S	.	.	S	Bend	trans	-153.1	159.1	169	75.5	0	0	0	0	111.7	A661 R679 L683 T684 Q685	A661-S681 WeakPolarHBondContact CB-OG 3.13Å; R679-S681 PolarHBondContact O-N 3.35Å; R679-S681 VanDerWaalsContact O-N 3.09Å; S681-L683 VanDerWaalsContact C-N 3.27Å; S681-L683 PolarHBondContact O-N 3.35Å; S681-L683 PolarHBondContact OG-N 2.79Å; S681-T684 PolarHBondContact N-OG1 2.95Å; S681-T684 PolarHBondContact O-N 3.39Å; S681-T684 PolarHBondContact O-OG1 3.02Å; S681-T684 PolarHBondContact OG-N 2.82Å; S681-T684 VanDerWaalsContact OG-N 3.07Å; S681-T684 PolarHBondContact OG-OG1 2.68Å; S681-Q685 VanDerWaalsContact O-CG 3.31Å; S681-Q685 WeakPolarHBondContact O-CG 3.48Å; S681-Q685 PolarHBondContact O-N 2.81Å
682	K	91.1	Very high	81.5	Confident	64 Å²	64	53.1 Å²	53.1	28%	0.278	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-31.6	172.7	-68.7	-47.4	-167.5	-180	0	113	I541 G544 V546 V558 Q685 V686	I541-K682 HydrophobicContact CG2-CB 4.07Å; G544-K682 WeakPolarHBondContact O-CG 3.48Å; V546-K682 HydrophobicContact CG2-CB 4.25Å; V546-K682 HydrophobicContact CG2-CG 4.48Å; V558-K682 HydrophobicContact CB-CD 4.13Å; V558-K682 HydrophobicContact CG1-CD 4.43Å; V558-K682 HydrophobicContact CG2-CD 4.36Å; V558-K682 PolarHBondContact O-NZ 2.97Å; K682-Q685 PolarHBondContact O-N 2.91Å; K682-V686 WeakPolarHBondContact O-CB 3.47Å; K682-V686 VanDerWaalsContact O-CG2 3.32Å; K682-V686 WeakPolarHBondContact O-CG2 3.47Å; K682-V686 PolarHBondContact O-N 3.31Å
683	L	90.4	Very high	82.3	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-47.5	174.3	178.9	65	0	0	0	111.6	I541 L632 L662 S681 V686 L687	I541-L683 HydrophobicContact CD1-CB 4.3Å; I541-L683 HydrophobicContact CD1-CD1 4.19Å; L632-L683 HydrophobicContact CD2-CD1 3.93Å; L632-L683 HydrophobicContact CD2-CD2 3.73Å; L632-L683 HydrophobicContact CD2-CG 4.47Å; L662-L683 HydrophobicContact CD2-CD2 4.41Å; S681-L683 VanDerWaalsContact C-N 3.27Å; S681-L683 PolarHBondContact O-N 3.35Å; S681-L683 PolarHBondContact OG-N 2.79Å; L683-V686 PolarHBondContact O-N 3.04Å; L683-L687 HydrophobicContact CD1-CD1 4.03Å; L683-L687 HydrophobicContact CG-CD1 4.13Å; L683-L687 WeakPolarHBondContact O-CB 3.35Å; L683-L687 WeakPolarHBondContact O-CG 3.38Å; L683-L687 PolarHBondContact O-N 3.21Å
684	T	89.7	Confident	83	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-73.6	-27.7	178.6	49.3	0	0	0	0	113.3	A661 L662 C665 F678 S681 R688	A661-T684 HydrophobicContact CB-CG2 3.86Å; L662-T684 HydrophobicContact CB-CG2 4.24Å; L662-T684 HydrophobicContact CD1-CG2 4.43Å; C665-T684 HydrophobicContact CB-CG2 4.39Å; F678-T684 WeakPolarHBondContact CD1-O 3.23Å; F678-T684 CarbonylContact O-C 3.58Å; F678-T684 VanDerWaalsContact O-C 3.26Å; F678-T684 VanDerWaalsContact O-CB 3.29Å; F678-T684 WeakPolarHBondContact O-CB 3.31Å; F678-T684 PolarHBondContact O-OG1 2.62Å; S681-T684 PolarHBondContact N-OG1 2.95Å; S681-T684 PolarHBondContact O-N 3.39Å; S681-T684 PolarHBondContact O-OG1 3.02Å; S681-T684 PolarHBondContact OG-N 2.82Å; S681-T684 VanDerWaalsContact OG-N 3.07Å; S681-T684 PolarHBondContact OG-OG1 2.68Å; T684-R688 PolarHBondContact O-N 2.99Å
685	Q	89.1	Confident	83.8	Confident	29 Å²	29	54.3 Å²	54.3	14%	0.136	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-51.4	169.3	-70.1	171.4	26.7	0	0	110.4	V558 V566 F678 R679 S681 K682 L687 R688	V558-Q685 HydrophobicContact CG1-CB 4.2Å; V566-Q685 HydrophobicContact CG1-CB 4.38Å; V566-Q685 WeakPolarHBondContact CG2-O 3.19Å; F678-Q685 WeakPolarHBondContact O-CG 3.38Å; F678-Q685 PolarHBondContact O-N 3.3Å; F678-Q685 VanDerWaalsContact O-N 3.1Å; R679-Q685 PolarHBondContact O-NE2 3.04Å; S681-Q685 VanDerWaalsContact O-CG 3.31Å; S681-Q685 WeakPolarHBondContact O-CG 3.48Å; S681-Q685 PolarHBondContact O-N 2.81Å; K682-Q685 PolarHBondContact O-N 2.91Å; Q685-L687 VanDerWaalsContact C-N 3.26Å; Q685-L687 PolarHBondContact O-N 2.87Å; Q685-R688 VanDerWaalsContact O-CB 3.22Å; Q685-R688 WeakPolarHBondContact O-CB 3.33Å; Q685-R688 PolarHBondContact O-N 2.83Å; Q685-R688 VanDerWaalsContact O-N 3.16Å
686	V	87	Confident	84.2	Confident	11 Å²	11	46.8 Å²	46.8	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-32.7	179.2	168.5	0	0	0	0	112.6	F539 I541 V558 I568 K682 L683	F539-V686 HydrophobicContact CE2-CG1 4Å; F539-V686 HydrophobicContact CE2-CG2 4.43Å; F539-V686 HydrophobicContact CZ-CG1 3.76Å; I541-V686 HydrophobicContact CD1-CB 4.4Å; I541-V686 HydrophobicContact CD1-CG2 4.18Å; V558-V686 HydrophobicContact CG2-CG2 4.41Å; I568-V686 HydrophobicContact CD1-CG1 4.28Å; I568-V686 HydrophobicContact CD1-CG2 3.88Å; I568-V686 HydrophobicContact CG1-CG2 4.42Å; K682-V686 WeakPolarHBondContact O-CB 3.47Å; K682-V686 VanDerWaalsContact O-CG2 3.32Å; K682-V686 WeakPolarHBondContact O-CG2 3.47Å; K682-V686 PolarHBondContact O-N 3.31Å; L683-V686 PolarHBondContact O-N 3.04Å
687	L	84.4	Confident	84.7	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.7	178.7	-79.5	172.6	0	0	0	115.2	T480 I630 L662 L683 Q685 D689 S690 F691	T480-L687 HydrophobicContact CG2-CD2 3.84Å; I630-L687 HydrophobicContact CD1-CD1 4.35Å; I630-L687 HydrophobicContact CD1-CD2 3.56Å; I630-L687 HydrophobicContact CD1-CG 4.2Å; L662-L687 HydrophobicContact CD1-CD1 4.01Å; L683-L687 HydrophobicContact CD1-CD1 4.03Å; L683-L687 HydrophobicContact CG-CD1 4.13Å; L683-L687 WeakPolarHBondContact O-CB 3.35Å; L683-L687 WeakPolarHBondContact O-CG 3.38Å; L683-L687 PolarHBondContact O-N 3.21Å; Q685-L687 VanDerWaalsContact C-N 3.26Å; Q685-L687 PolarHBondContact O-N 2.87Å; L687-D689 PolarHBondContact O-N 2.68Å; L687-S690 PolarHBondContact O-N 2.87Å; L687-S690 VanDerWaalsContact O-N 3.09Å; L687-F691 HydrophobicContact CB-CD2 3.97Å; L687-F691 HydrophobicContact CB-CE2 3.78Å; L687-F691 HydrophobicContact CD1-CE2 4.04Å; L687-F691 HydrophobicContact CG-CE2 4.36Å; L687-F691 WeakPolarHBondContact O-CD2 3.42Å; L687-F691 PolarHBondContact O-N 2.92Å
688	R	84.9	Confident	85	Confident	63 Å²	63	46.3 Å²	46.3	24%	0.238	23%	0.226	C	C	.	.	H	α-helix	trans	-53.3	-48.4	-173.3	-170.8	178.4	-162.2	-73.5	-8	113	E560 G564 V566 F678 T684 Q685 S690 F691 I692	E560-R688 IonicContact OE1-CZ 3.19Å; E560-R688 IonicContact OE1-NE 3.88Å; G564-R688 WeakPolarHBondContact O-CD 3.42Å; G564-R688 PolarHBondContact O-NH1 2.86Å; V566-R688 HydrophobicContact CG2-CB 4.14Å; F678-R688 HydrophobicContact CB-CG 4.27Å; F678-R688 HydrophobicContact CD1-CB 4.25Å; F678-R688 HydrophobicContact CD1-CG 4.27Å; F678-R688 HydrophobicContact CD2-CG 3.85Å; F678-R688 HydrophobicContact CE2-CG 4.19Å; F678-R688 HydrophobicContact CG-CB 4.25Å; F678-R688 HydrophobicContact CG-CG 3.88Å; T684-R688 PolarHBondContact O-N 2.99Å; Q685-R688 VanDerWaalsContact O-CB 3.22Å; Q685-R688 WeakPolarHBondContact O-CB 3.33Å; Q685-R688 PolarHBondContact O-N 2.83Å; Q685-R688 VanDerWaalsContact O-N 3.16Å; R688-S690 VanDerWaalsContact C-N 3.28Å; R688-S690 PolarHBondContact O-N 2.93Å; R688-F691 PolarHBondContact O-N 3.48Å; R688-I692 HydrophobicContact CG-CD1 3.61Å; R688-I692 WeakPolarHBondContact O-CG1 3.38Å; R688-I692 PolarHBondContact O-N 3.45Å
689	D	78.6	Confident	85.4	Confident	38 Å²	38	46 Å²	46	20%	0.203	23%	0.225	C	C	.	.	H	α-helix	trans	-56.7	-42.3	179.5	-55.6	-17	0	0	0	112.4	M478 K626 L687 F691 G693 S696	M478-D689 HydrophobicContact CE-CB 3.86Å; K626-D689 IonicContact NZ-OD2 2.77Å; K626-D689 PolarHBondContact NZ-OD2 3.01Å; L687-D689 PolarHBondContact O-N 2.68Å; D689-F691 VanDerWaalsContact C-N 3.26Å; D689-F691 PolarHBondContact O-N 2.89Å; D689-G693 PolarHBondContact O-N 2.82Å; D689-S696 PolarHBondContact O-OG 3.1Å
690	S	75.4	Confident	85.6	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.014	20%	0.195	C	C	.	.	H	α-helix	trans	-73	-15.9	-172.2	-53.6	0	0	0	0	114.1	T480 L687 R688 S696	T480-S690 WeakPolarHBondContact OG1-CB 3.47Å; T480-S690 PolarHBondContact OG1-OG 2.89Å; L687-S690 PolarHBondContact O-N 2.87Å; L687-S690 VanDerWaalsContact O-N 3.09Å; R688-S690 VanDerWaalsContact C-N 3.28Å; R688-S690 PolarHBondContact O-N 2.93Å; S690-S696 WeakPolarHBondContact O-CB 3.41Å
691	F	77.5	Confident	85.9	Confident	26 Å²	26	35.5 Å²	35.5	11%	0.114	17%	0.173	C	C	.	.	H	α-helix	trans	-105.8	-24.1	-180	-74.1	-58.9	0	0	0	113.6	L662 I666 L669 F678 L687 R688 D689 T698	L662-F691 HydrophobicContact CD1-CE2 3.96Å; L662-F691 HydrophobicContact CD1-CZ 4.01Å; I666-F691 HydrophobicContact CD1-CE1 4.41Å; I666-F691 HydrophobicContact CD1-CZ 4.12Å; I666-F691 HydrophobicContact CG1-CE1 4.2Å; I666-F691 HydrophobicContact CG1-CZ 4.11Å; L669-F691 HydrophobicContact CD1-CB 3.96Å; L669-F691 HydrophobicContact CD1-CD1 3.48Å; L669-F691 VanDerWaalsContact CD1-CD1 3.48Å; L669-F691 HydrophobicContact CD1-CE1 4.16Å; L669-F691 HydrophobicContact CD1-CG 3.89Å; L669-F691 HydrophobicContact CD2-CB 4.36Å; F678-F691 HydrophobicContact CE1-CB 3.93Å; F678-F691 HydrophobicContact CE1-CD2 4.01Å; F678-F691 HydrophobicContact CE1-CG 4.38Å; F678-F691 HydrophobicContact CZ-CB 3.93Å; L687-F691 HydrophobicContact CB-CD2 3.97Å; L687-F691 HydrophobicContact CB-CE2 3.78Å; L687-F691 HydrophobicContact CD1-CE2 4.04Å; L687-F691 HydrophobicContact CG-CE2 4.36Å; L687-F691 WeakPolarHBondContact O-CD2 3.42Å; L687-F691 PolarHBondContact O-N 2.92Å; R688-F691 PolarHBondContact O-N 3.48Å; D689-F691 VanDerWaalsContact C-N 3.26Å; D689-F691 PolarHBondContact O-N 2.89Å; F691-T698 HydrophobicContact CE1-CG2 4.2Å
692	I	81.3	Confident	86.1	Confident	77 Å²	77	35 Å²	35	40%	0.395	17%	0.169	S	C	.	.	H	α-helix	trans	-94.2	-36.5	-177.1	-58	175.4	0	0	0	112.6	F678 R688	F678-I692 HydrophobicContact CD2-CD1 4.16Å; F678-I692 HydrophobicContact CE2-CD1 3.48Å; F678-I692 VanDerWaalsContact CE2-CD1 3.48Å; F678-I692 HydrophobicContact CE2-CG1 3.61Å; F678-I692 HydrophobicContact CZ-CD1 4.05Å; F678-I692 HydrophobicContact CZ-CG1 3.7Å; R688-I692 HydrophobicContact CG-CD1 3.61Å; R688-I692 WeakPolarHBondContact O-CG1 3.38Å; R688-I692 PolarHBondContact O-N 3.45Å
693	G	76	Confident	86.4	Confident	29 Å²	29	32 Å²	32	30%	0.299	16%	0.156	S	C	.	.	S	Bend	trans	-66.7	137	-168.2	0	0	0	0	0	113.7	D689 R695 S696	D689-G693 PolarHBondContact O-N 2.82Å; G693-R695 PolarHBondContact O-N 2.85Å; G693-S696 VanDerWaalsContact CA-OG 3.3Å; G693-S696 WeakPolarHBondContact CA-OG 3.14Å; G693-S696 PolarHBondContact N-OG 2.8Å; G693-S696 WeakPolarHBondContact O-CB 3.4Å; G693-S696 PolarHBondContact O-N 2.89Å; G693-S696 PolarHBondContact O-OG 2.84Å
694	D	76.7	Confident	86.7	Confident	163 Å²	163	31.9 Å²	31.9	87%	0.872	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26	-173.9	-47.7	-75.2	0	0	0	114.3
695	R	84.5	Confident	87	Confident	149 Å²	149	31.9 Å²	31.9	56%	0.562	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.8	38.5	174.4	-61.4	-168.3	-57.7	-142.5	-8.1	112.1	R476 G477 M478 G693	R476-R695 VanDerWaalsContact CB-NH2 3.28Å; R476-R695 VanDerWaalsContact O-CZ 3.26Å; R476-R695 PolarHBondContact O-NE 3.25Å; R476-R695 VanDerWaalsContact O-NE 3.14Å; R476-R695 PolarHBondContact O-NH2 3.48Å; G477-R695 CarbonylContact C-O 3.49Å; G477-R695 WeakPolarHBondContact CA-O 3.48Å; M478-R695 PolarHBondContact N-O 2.78Å; G693-R695 PolarHBondContact O-N 2.85Å
696	S	86.3	Confident	87.3	Confident	8 Å²	8	30.5 Å²	30.5	6%	0.056	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138.3	174.2	-44.4	0	0	0	0	111.2	M478 D689 S690 G693	M478-S696 CarbonylContact O-C 3.26Å; M478-S696 WeakPolarHBondContact O-CA 3.47Å; D689-S696 PolarHBondContact O-OG 3.1Å; S690-S696 WeakPolarHBondContact O-CB 3.41Å; G693-S696 VanDerWaalsContact CA-OG 3.3Å; G693-S696 WeakPolarHBondContact CA-OG 3.14Å; G693-S696 PolarHBondContact N-OG 2.8Å; G693-S696 WeakPolarHBondContact O-CB 3.4Å; G693-S696 PolarHBondContact O-N 2.89Å; G693-S696 PolarHBondContact O-OG 2.84Å
697	R	88.1	Confident	87.6	Confident	62 Å²	62	30 Å²	30	23%	0.234	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.4	174.5	-66.5	-175.9	179.2	-156.4	-17.5	110.1	D393 Q395 L469 M478 A479 T480	D393-R697 VanDerWaalsContact CG-NH2 3.35Å; D393-R697 IonicContact OD1-CZ 2.68Å; D393-R697 IonicContact OD1-NH1 2.7Å; D393-R697 PolarHBondContact OD1-NH1 2.93Å; D393-R697 IonicContact OD1-NH2 2.65Å; D393-R697 PolarHBondContact OD1-NH2 3.33Å; D393-R697 IonicContact OD2-CZ 3.27Å; D393-R697 IonicContact OD2-NH1 3.47Å; D393-R697 IonicContact OD2-NH2 3.5Å; D393-R697 PolarHBondContact OD2-NH2 3.46Å; Q395-R697 WeakPolarHBondContact O-CA 3.49Å; L469-R697 HydrophobicContact CD2-CB 3.59Å; M478-R697 PolarHBondContact O-N 2.97Å; A479-R697 WeakPolarHBondContact CA-O 3.33Å; T480-R697 PolarHBondContact N-O 3.23Å
698	T	89.5	Confident	88	Confident	8 Å²	8	32.4 Å²	32.4	5%	0.049	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.3	-175.3	-65.1	0	0	0	0	111.1	Q395 I396 C397 T480 F482 F691	Q395-T698 PolarHBondContact O-N 3Å; I396-T698 CarbonylContact C-O 3.6Å; I396-T698 WeakPolarHBondContact CA-O 3.47Å; C397-T698 PolarHBondContact N-O 2.8Å; T480-T698 CarbonylContact O-C 3.51Å; T480-T698 VanDerWaalsContact O-CA 3.29Å; T480-T698 WeakPolarHBondContact O-CA 3.23Å; F482-T698 HydrophobicContact CD1-CG2 4.13Å; F482-T698 HydrophobicContact CE1-CG2 3.65Å; F691-T698 HydrophobicContact CE1-CG2 4.2Å
699	C	92.3	Very high	88.3	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.8	167.1	-178.4	0	0	0	0	110.7	C397 L469 T480 C481 F482	C397-C699 HydrophobicContact CB-CB 4.38Å; C397-C699 CarbonylContact O-C 3.55Å; C397-C699 VanDerWaalsContact O-CA 3.29Å; C397-C699 WeakPolarHBondContact O-CA 3.28Å; L469-C699 HydrophobicContact CD1-CB 3.79Å; T480-C699 PolarHBondContact O-N 3.19Å; C481-C699 VanDerWaalsContact CA-O 3.31Å; C481-C699 WeakPolarHBondContact CA-O 3.39Å; C481-C699 HydrophobicContact CB-CB 4.37Å; F482-C699 PolarHBondContact N-O 2.8Å
700	M	93.3	Very high	88.9	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.9	171.9	173.8	173.2	174.1	0	0	109.1	C397 C399 F482 Y484 A702 Y720 A721 V724	C397-M700 PolarHBondContact O-N 3.3Å; C399-M700 PolarHBondContact N-O 2.81Å; F482-M700 HydrophobicContact CD2-CB 4.46Å; F482-M700 HydrophobicContact CD2-CG 4.18Å; F482-M700 HydrophobicContact CE1-CB 4.21Å; F482-M700 HydrophobicContact CE2-CB 3.82Å; F482-M700 HydrophobicContact CE2-CE 4.44Å; F482-M700 HydrophobicContact CE2-CG 3.47Å; F482-M700 VanDerWaalsContact CE2-CG 3.47Å; F482-M700 HydrophobicContact CE2-SD 3.77Å; F482-M700 HydrophobicContact CZ-CB 3.68Å; F482-M700 HydrophobicContact CZ-CG 3.79Å; F482-M700 HydrophobicContact CZ-SD 3.92Å; Y484-M700 HydrophobicContact CD1-CE 3.65Å; Y484-M700 HydrophobicContact CE1-CE 4.35Å; Y484-M700 HydrophobicContact CG-CE 4.02Å; M700-A702 HydrophobicContact CE-CB 4.31Å; M700-Y720 HydrophobicContact CE-CD1 3.48Å; M700-Y720 VanDerWaalsContact CE-CD1 3.48Å; M700-Y720 HydrophobicContact CE-CE1 3.6Å; M700-Y720 HydrophobicContact CE-CG 4.5Å; M700-Y720 HydrophobicContact SD-CE1 4.29Å; M700-A721 HydrophobicContact CE-CB 3.82Å; M700-V724 HydrophobicContact CE-CG2 4.37Å; M700-V724 HydrophobicContact SD-CB 3.96Å; M700-V724 HydrophobicContact SD-CG1 4.04Å; M700-V724 HydrophobicContact SD-CG2 3.56Å; M700-V724 VanDerWaalsContact SD-CG2 3.56Å
701	I	96.4	Very high	89.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	102.1	174.1	-43.1	177.4	0	0	0	108.9	R401 V461 T465 F482 A483 Y484 I511 M703	R401-I701 HydrophobicContact CB-CG2 4.49Å; V461-I701 HydrophobicContact CG1-CD1 4.28Å; T465-I701 HydrophobicContact CG2-CD1 3.75Å; T465-I701 HydrophobicContact CG2-CG1 3.79Å; F482-I701 PolarHBondContact O-N 3.07Å; A483-I701 WeakPolarHBondContact CA-O 3.44Å; Y484-I701 PolarHBondContact N-O 3.41Å; I511-I701 HydrophobicContact CD1-CD1 3.64Å; I701-M703 HydrophobicContact CB-CE 3.78Å; I701-M703 HydrophobicContact CG2-CE 3.39Å; I701-M703 HydrophobicContact CG2-SD 3.87Å; I701-M703 PolarHBondContact O-N 3.31Å
702	A	96.8	Very high	90.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	107.4	177.3	0	0	0	0	0	110.8	C399 V400 R401 Y484 M700 T717 A721	C399-A702 PolarHBondContact O-N 3.06Å; V400-A702 CarbonylContact C-O 3.57Å; V400-A702 VanDerWaalsContact CA-O 3.3Å; V400-A702 WeakPolarHBondContact CA-O 3.45Å; V400-A702 HydrophobicContact CG2-CB 3.93Å; R401-A702 PolarHBondContact N-O 3.15Å; Y484-A702 CarbonylContact O-C 3.56Å; Y484-A702 WeakPolarHBondContact O-CA 3.38Å; M700-A702 HydrophobicContact CE-CB 4.31Å; A702-T717 HydrophobicContact CB-CG2 4.17Å; A702-A721 HydrophobicContact CB-CB 3.94Å
703	M	96.7	Very high	91	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.2	179.6	-51.4	-63.2	176.5	0	0	109.9	R401 A483 Y484 S489 K491 T494 I701	R401-M703 HydrophobicContact CB-SD 3.92Å; A483-M703 HydrophobicContact CB-CE 3.66Å; Y484-M703 PolarHBondContact O-N 2.96Å; S489-M703 WeakPolarHBondContact CB-O 3.39Å; S489-M703 WeakPolarHBondContact OG-CB 3.34Å; K491-M703 HydrophobicContact CB-CG 4.35Å; K491-M703 HydrophobicContact CG-CB 4.17Å; K491-M703 HydrophobicContact CG-CG 3.78Å; T494-M703 VanDerWaalsContact CB-CE 3.49Å; T494-M703 HydrophobicContact CG2-CE 3.77Å; T494-M703 WeakPolarHBondContact OG1-CE 3.47Å; I701-M703 HydrophobicContact CB-CE 3.78Å; I701-M703 HydrophobicContact CG2-CE 3.39Å; I701-M703 HydrophobicContact CG2-SD 3.87Å; I701-M703 PolarHBondContact O-N 3.31Å
704	I	96.9	Very high	91.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.2	-177.9	62.4	174	0	0	0	112.6	V400 R401 K402 R403 I418 V426 T714 T717 L718	V400-I704 HydrophobicContact CG1-CD1 3.61Å; V400-I704 HydrophobicContact CG1-CG1 3.96Å; V400-I704 HydrophobicContact CG1-CG2 4.34Å; R401-I704 WeakPolarHBondContact O-CG1 3.22Å; R401-I704 PolarHBondContact O-N 2.87Å; K402-I704 HydrophobicContact CB-CG1 4.38Å; R403-I704 PolarHBondContact N-O 2.69Å; I418-I704 HydrophobicContact CG2-CD1 3.62Å; V426-I704 HydrophobicContact CG1-CD1 4Å; I704-T714 HydrophobicContact CB-CG2 3.77Å; I704-T714 HydrophobicContact CD1-CG2 4.15Å; I704-T714 HydrophobicContact CG2-CG2 3.91Å; I704-T717 HydrophobicContact CG2-CG2 4Å; I704-L718 HydrophobicContact CD1-CD2 4.4Å; I704-L718 HydrophobicContact CG2-CD2 4.1Å; I704-L718 HydrophobicContact CG2-CG 4.18Å
705	S	95	Very high	92.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.			trans	-84.2	131.2	172.9	-72.3	0	0	0	0	109.8	R403 Q486 S710 T714	R403-S705 PolarHBondContact NH2-OG 2.69Å; Q486-S705 PolarHBondContact NE2-OG 2.89Å; Q486-S705 VanDerWaalsContact NE2-OG 3.11Å; Q486-S705 PolarHBondContact OE1-OG 2.99Å; S705-S710 VanDerWaalsContact CB-CB 3.46Å; S705-T714 PolarHBondContact N-OG1 3.47Å; S705-T714 PolarHBondContact O-OG1 2.91Å
706	P	95.9	Very high	93.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.			trans	-73.1	-27.8	179.2	28.1	-37.3	0	0	0	114.9	K402 R403 M405 D416 V417	K402-P706 HydrophobicContact CG-CB 4.44Å; R403-P706 WeakPolarHBondContact O-CD 3.15Å; R403-P706 VanDerWaalsContact O-CG 3.25Å; R403-P706 WeakPolarHBondContact O-CG 3.49Å; M405-P706 HydrophobicContact CG-CB 4.15Å; M405-P706 HydrophobicContact CG-CG 3.78Å; M405-P706 HydrophobicContact SD-CB 3.81Å; M405-P706 HydrophobicContact SD-CG 3.5Å; M405-P706 VanDerWaalsContact SD-CG 3.5Å; D416-P706 WeakPolarHBondContact CA-O 3.49Å; D416-P706 HydrophobicContact CB-CB 4.43Å; D416-P706 VanDerWaalsContact OD1-CB 3.3Å; D416-P706 WeakPolarHBondContact OD1-CB 3.36Å; V417-P706 WeakPolarHBondContact CG2-O 3.39Å; V417-P706 PolarHBondContact N-O 3.18Å
707	G	93.9	Very high	93.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-66.1	140.2	-170.3	0	0	0	0	0	113.9	I415 S709 S710	I415-G707 CarbonylContact O-C 3.53Å; G707-S709 PolarHBondContact O-N 3.38Å; G707-S709 VanDerWaalsContact O-N 3.13Å; G707-S710 WeakPolarHBondContact O-CA 3.41Å; G707-S710 WeakPolarHBondContact O-CB 3.22Å; G707-S710 PolarHBondContact O-N 2.67Å
708	M	92.8	Very high	93.8	Very high	53 Å²	53	17 Å²	17	26%	0.261	9%	0.093	S	C	.	.	G	3₁₀ helix	trans	-51.3	-35.7	179.5	-167.5	179.4	77.3	0	0	113.4	S366 I415 V417 P431 S710 C711	S366-M708 WeakPolarHBondContact OG-CE 3.29Å; I415-M708 HydrophobicContact CD1-SD 4.43Å; I415-M708 PolarHBondContact O-N 3.31Å; V417-M708 HydrophobicContact CG1-CB 3.83Å; V417-M708 HydrophobicContact CG1-CG 3.87Å; P431-M708 HydrophobicContact CB-SD 4.49Å; P431-M708 HydrophobicContact CG-CG 3.78Å; P431-M708 HydrophobicContact CG-SD 3.93Å; M708-S710 PolarHBondContact O-N 3Å; M708-C711 VanDerWaalsContact O-CB 3.29Å; M708-C711 WeakPolarHBondContact O-CB 3.22Å; M708-C711 PolarHBondContact O-N 3.31Å
709	S	90.3	Very high	93.9	Very high	77 Å²	77	21.7 Å²	21.7	54%	0.538	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-61.1	-29.3	175.7	65	0	0	0	0	113.4	E414 G707	E414-S709 WeakPolarHBondContact OE2-CB 3.02Å; E414-S709 PolarHBondContact OE2-OG 3.07Å; G707-S709 PolarHBondContact O-N 3.38Å; G707-S709 VanDerWaalsContact O-N 3.13Å
710	S	91.8	Very high	93.7	Very high	12 Å²	12	22.1 Å²	22.1	8%	0.084	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-94.5	3.7	-178.5	-66.9	0	0	0	0	113.5	Q486 S705 G707 M708 E712 H713 T714	Q486-S710 PolarHBondContact NE2-OG 3.49Å; Q486-S710 VanDerWaalsContact NE2-OG 3.17Å; S705-S710 VanDerWaalsContact CB-CB 3.46Å; G707-S710 WeakPolarHBondContact O-CA 3.41Å; G707-S710 WeakPolarHBondContact O-CB 3.22Å; G707-S710 PolarHBondContact O-N 2.67Å; M708-S710 PolarHBondContact O-N 3Å; S710-E712 VanDerWaalsContact C-N 3.28Å; S710-E712 PolarHBondContact O-N 3.13Å; S710-H713 PolarHBondContact O-N 2.74Å; S710-H713 VanDerWaalsContact O-N 3.08Å; S710-T714 PolarHBondContact O-N 2.89Å
711	C	93.5	Very high	93.6	Very high	10 Å²	10	22 Å²	22	7%	0.068	11%	0.112	C	C	.	.	H	α-helix	trans	-52.7	-43.9	-173.4	-172.2	0	0	0	0	112.7	V417 M708 T714 L715	V417-C711 HydrophobicContact CG2-CB 4.16Å; M708-C711 VanDerWaalsContact O-CB 3.29Å; M708-C711 WeakPolarHBondContact O-CB 3.22Å; M708-C711 PolarHBondContact O-N 3.31Å; C711-T714 PolarHBondContact O-N 3.31Å; C711-L715 WeakPolarHBondContact O-CB 3.03Å; C711-L715 WeakPolarHBondContact O-CG 3.47Å; C711-L715 PolarHBondContact O-N 2.84Å
712	E	92	Very high	93.3	Very high	100 Å²	100	24.8 Å²	24.8	47%	0.467	13%	0.126	S	C	.	.	H	α-helix	trans	-68.4	-40.8	179.3	-166.6	179.4	-163.3	0	0	112.9	R637 S710 T714 L715 N716	R637-E712 IonicContact CZ-OE1 2.86Å; R637-E712 IonicContact CZ-OE2 2.85Å; R637-E712 IonicContact NH1-OE1 2.9Å; R637-E712 PolarHBondContact NH1-OE1 2.87Å; R637-E712 IonicContact NH1-OE2 3.17Å; R637-E712 PolarHBondContact NH1-OE2 3.17Å; R637-E712 VanDerWaalsContact NH2-CD 3.28Å; R637-E712 IonicContact NH2-OE1 3.05Å; R637-E712 PolarHBondContact NH2-OE1 3.11Å; R637-E712 IonicContact NH2-OE2 3Å; S710-E712 VanDerWaalsContact C-N 3.28Å; S710-E712 PolarHBondContact O-N 3.13Å; E712-T714 VanDerWaalsContact C-N 3.35Å; E712-L715 PolarHBondContact O-N 3.03Å; E712-N716 WeakPolarHBondContact O-CB 3.44Å; E712-N716 VanDerWaalsContact O-CG 3.25Å; E712-N716 PolarHBondContact O-N 2.85Å; E712-N716 PolarHBondContact O-ND2 3Å
713	H	91.6	Very high	92.7	Very high	31 Å²	31	31.9 Å²	31.9	14%	0.144	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-38.5	175.5	-59.9	-77.7	0	0	0	111.8	Q486 D640 S710 N716 T717	Q486-H713 HydrophobicContact CB-CB 4.27Å; D640-H713 IonicContact OD2-CE1 2.71Å; D640-H713 PolarHBondContact OD2-CE1 2.79Å; D640-H713 VanDerWaalsContact OD2-CE1 3.31Å; S710-H713 PolarHBondContact O-N 2.74Å; S710-H713 VanDerWaalsContact O-N 3.08Å; H713-N716 PolarHBondContact O-N 3.13Å; H713-T717 WeakPolarHBondContact O-CB 3.44Å; H713-T717 PolarHBondContact O-N 3.27Å; H713-T717 PolarHBondContact O-OG1 2.75Å
714	T	94.9	Very high	92	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.9	-45.4	172.3	-75	0	0	0	0	111.1	I418 I704 S705 S710 C711 E712 N716 T717 L718	I418-T714 HydrophobicContact CD1-CG2 3.59Å; I418-T714 HydrophobicContact CG1-CG2 4.35Å; I704-T714 HydrophobicContact CB-CG2 3.77Å; I704-T714 HydrophobicContact CD1-CG2 4.15Å; I704-T714 HydrophobicContact CG2-CG2 3.91Å; S705-T714 PolarHBondContact N-OG1 3.47Å; S705-T714 PolarHBondContact O-OG1 2.91Å; S710-T714 PolarHBondContact O-N 2.89Å; C711-T714 PolarHBondContact O-N 3.31Å; E712-T714 VanDerWaalsContact C-N 3.35Å; T714-N716 PolarHBondContact O-N 3.11Å; T714-T717 WeakPolarHBondContact O-CB 3.46Å; T714-T717 PolarHBondContact O-N 2.69Å; T714-T717 VanDerWaalsContact O-N 3.1Å; T714-L718 HydrophobicContact CG2-CD1 3.68Å; T714-L718 HydrophobicContact CG2-CG 4.31Å; T714-L718 VanDerWaalsContact O-CG 3.3Å; T714-L718 WeakPolarHBondContact O-CG 3.41Å; T714-L718 PolarHBondContact O-N 3.17Å
715	L	94.7	Very high	91.2	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-43.4	174.2	-76.6	171.1	0	0	0	112.8	V428 E430 Q444 F446 C711 E712 T717 L718 R719	V428-L715 HydrophobicContact CB-CD2 4.06Å; V428-L715 HydrophobicContact CG1-CD2 3.91Å; V428-L715 HydrophobicContact CG1-CG 4.09Å; V428-L715 HydrophobicContact CG2-CD2 4.02Å; E430-L715 HydrophobicContact CB-CD1 4.49Å; E430-L715 HydrophobicContact CG-CD1 3.99Å; Q444-L715 HydrophobicContact CB-CD2 4.43Å; F446-L715 HydrophobicContact CE2-CD2 3.96Å; F446-L715 HydrophobicContact CZ-CD2 3.93Å; C711-L715 WeakPolarHBondContact O-CB 3.03Å; C711-L715 WeakPolarHBondContact O-CG 3.47Å; C711-L715 PolarHBondContact O-N 2.84Å; E712-L715 PolarHBondContact O-N 3.03Å; L715-T717 PolarHBondContact O-N 3.22Å; L715-L718 PolarHBondContact O-N 3.29Å; L715-R719 VanDerWaalsContact O-CB 3.29Å; L715-R719 WeakPolarHBondContact O-CB 3.45Å; L715-R719 VanDerWaalsContact O-CG 3.25Å; L715-R719 WeakPolarHBondContact O-CG 3.34Å; L715-R719 PolarHBondContact O-N 3.17Å
716	N	92.2	Very high	90.1	Very high	59 Å²	59	41.3 Å²	41.3	32%	0.316	20%	0.197	S	C	.	.	H	α-helix	trans	-63.1	-29.1	174.5	-72.1	-43.2	0	0	0	112.5	R637 E712 H713 T714	R637-N716 PolarHBondContact NH2-ND2 3.47Å; E712-N716 WeakPolarHBondContact O-CB 3.44Å; E712-N716 VanDerWaalsContact O-CG 3.25Å; E712-N716 PolarHBondContact O-N 2.85Å; E712-N716 PolarHBondContact O-ND2 3Å; H713-N716 PolarHBondContact O-N 3.13Å; T714-N716 PolarHBondContact O-N 3.11Å
717	T	93.8	Very high	88.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-76.7	-46	176.9	-61.6	0	0	0	0	111.4	Y484 N635 A702 I704 H713 T714 L715 Y720 A721	Y484-T717 HydrophobicContact CD1-CG2 3.92Å; Y484-T717 HydrophobicContact CE1-CG2 3.86Å; N635-T717 PolarHBondContact ND2-OG1 2.77Å; A702-T717 HydrophobicContact CB-CG2 4.17Å; I704-T717 HydrophobicContact CG2-CG2 4Å; H713-T717 WeakPolarHBondContact O-CB 3.44Å; H713-T717 PolarHBondContact O-N 3.27Å; H713-T717 PolarHBondContact O-OG1 2.75Å; T714-T717 WeakPolarHBondContact O-CB 3.46Å; T714-T717 PolarHBondContact O-N 2.69Å; T714-T717 VanDerWaalsContact O-N 3.1Å; L715-T717 PolarHBondContact O-N 3.22Å; T717-Y720 PolarHBondContact O-N 2.93Å; T717-A721 PolarHBondContact O-N 3.4Å; T717-A721 VanDerWaalsContact O-N 3.11Å
718	L	95	Very high	86.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.8	-47.1	179.1	-66.4	168.2	0	0	0	112	V400 V426 V428 F446 F448 I704 T714 L715 Y720 A721 D722	V400-L718 HydrophobicContact CB-CD2 4.48Å; V400-L718 HydrophobicContact CG1-CD2 3.98Å; V400-L718 HydrophobicContact CG2-CD2 3.65Å; V426-L718 HydrophobicContact CG1-CD1 4.34Å; V426-L718 HydrophobicContact CG1-CD2 4.39Å; V428-L718 HydrophobicContact CG2-CD1 3.39Å; F446-L718 HydrophobicContact CD1-CB 4.21Å; F446-L718 HydrophobicContact CD2-CB 4.22Å; F446-L718 HydrophobicContact CD2-CD1 3.95Å; F446-L718 HydrophobicContact CE1-CB 4.16Å; F446-L718 HydrophobicContact CE2-CB 4.17Å; F446-L718 HydrophobicContact CE2-CD1 3.98Å; F446-L718 HydrophobicContact CG-CB 4.24Å; F446-L718 HydrophobicContact CZ-CB 4.14Å; F448-L718 HydrophobicContact CE2-CD2 3.66Å; F448-L718 HydrophobicContact CZ-CB 4.44Å; F448-L718 HydrophobicContact CZ-CD2 3.77Å; I704-L718 HydrophobicContact CD1-CD2 4.4Å; I704-L718 HydrophobicContact CG2-CD2 4.1Å; I704-L718 HydrophobicContact CG2-CG 4.18Å; T714-L718 HydrophobicContact CG2-CD1 3.68Å; T714-L718 HydrophobicContact CG2-CG 4.31Å; T714-L718 VanDerWaalsContact O-CG 3.3Å; T714-L718 WeakPolarHBondContact O-CG 3.41Å; T714-L718 PolarHBondContact O-N 3.17Å; L715-L718 PolarHBondContact O-N 3.29Å; L718-Y720 PolarHBondContact O-N 3.34Å; L718-A721 PolarHBondContact O-N 3.5Å; L718-A721 VanDerWaalsContact O-N 3.12Å; L718-D722 VanDerWaalsContact O-CB 3.32Å; L718-D722 WeakPolarHBondContact O-CB 3.25Å; L718-D722 PolarHBondContact O-N 2.96Å
719	R	92.4	Very high	84.6	Confident	107 Å²	107	43.3 Å²	43.3	40%	0.404	22%	0.216	S	C	.	.	H	α-helix	trans	-65.8	-5.2	175.2	-66.9	172.7	178.6	178.2	-1.3	114.5	Q444 F446 L715 R723	Q444-R719 VanDerWaalsContact CD-NH2 3.35Å; Q444-R719 VanDerWaalsContact NE2-NH2 3.11Å; F446-R719 HydrophobicContact CE1-CG 3.91Å; F446-R719 HydrophobicContact CZ-CG 4.13Å; L715-R719 VanDerWaalsContact O-CB 3.29Å; L715-R719 WeakPolarHBondContact O-CB 3.45Å; L715-R719 VanDerWaalsContact O-CG 3.25Å; L715-R719 WeakPolarHBondContact O-CG 3.34Å; L715-R719 PolarHBondContact O-N 3.17Å; R719-R723 PolarHBondContact O-NE 2.95Å; R719-R723 PolarHBondContact O-NH2 3.47Å
720	Y	87.7	Confident	82.3	Confident	8 Å²	8	42.9 Å²	42.9	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-93.9	-52.5	166	174.4	-124.4	0	0	0	111.1	Y484 K663 M700 T717 L718 D722 R723 V724	Y484-Y720 AromaticContact CD1-CD1 3.77Å; Y484-Y720 HydrophobicContact CD1-CD1 3.77Å; Y484-Y720 HydrophobicContact CD1-CE1 4.19Å; Y484-Y720 HydrophobicContact CD2-CD1 4.35Å; Y484-Y720 HydrophobicContact CD2-CE1 4.09Å; Y484-Y720 AromaticContact CE1-CD1 3.29Å; Y484-Y720 HydrophobicContact CE1-CD1 3.29Å; Y484-Y720 AromaticContact CE1-CE1 4Å; Y484-Y720 HydrophobicContact CE1-CE1 4Å; Y484-Y720 HydrophobicContact CE1-CG 4.2Å; Y484-Y720 AromaticContact CE2-CD1 3.92Å; Y484-Y720 HydrophobicContact CE2-CD1 3.92Å; Y484-Y720 AromaticContact CE2-CE1 3.87Å; Y484-Y720 HydrophobicContact CE2-CE1 3.87Å; Y484-Y720 HydrophobicContact CG-CD1 4.27Å; Y484-Y720 HydrophobicContact CG-CE1 4.23Å; Y484-Y720 AromaticContact CZ-CD1 3.33Å; Y484-Y720 AromaticContact CZ-CE1 3.8Å; K663-Y720 HydrophobicContact CB-CE2 4Å; K663-Y720 HydrophobicContact CD-CD2 4.4Å; K663-Y720 HydrophobicContact CD-CE2 4.37Å; K663-Y720 HydrophobicContact CG-CD2 3.58Å; K663-Y720 HydrophobicContact CG-CE2 3.19Å; K663-Y720 HydrophobicContact CG-CG 4.42Å; M700-Y720 HydrophobicContact CE-CD1 3.48Å; M700-Y720 VanDerWaalsContact CE-CD1 3.48Å; M700-Y720 HydrophobicContact CE-CE1 3.6Å; M700-Y720 HydrophobicContact CE-CG 4.5Å; M700-Y720 HydrophobicContact SD-CE1 4.29Å; T717-Y720 PolarHBondContact O-N 2.93Å; L718-Y720 PolarHBondContact O-N 3.34Å; Y720-D722 PolarHBondContact O-N 2.92Å; Y720-R723 PolarHBondContact O-N 3.08Å; Y720-R723 VanDerWaalsContact O-N 3.1Å; Y720-V724 HydrophobicContact CD2-CG2 4.23Å; Y720-V724 HydrophobicContact CE1-CG2 4.36Å; Y720-V724 HydrophobicContact CE2-CG2 3.88Å; Y720-V724 WeakPolarHBondContact O-CG2 3.46Å; Y720-V724 PolarHBondContact O-N 3.24Å; Y720-V724 VanDerWaalsContact O-N 3.16Å
721	A	91.7	Very high	79.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-53.1	-42.2	177.2	0	0	0	0	0	112.3	V398 F448 M700 A702 T717 L718 R723 V724 K725	V398-A721 HydrophobicContact CG1-CB 3.82Å; F448-A721 HydrophobicContact CD1-CB 4.36Å; F448-A721 HydrophobicContact CE1-CB 3.6Å; F448-A721 HydrophobicContact CZ-CB 4.23Å; M700-A721 HydrophobicContact CE-CB 3.82Å; A702-A721 HydrophobicContact CB-CB 3.94Å; T717-A721 PolarHBondContact O-N 3.4Å; T717-A721 VanDerWaalsContact O-N 3.11Å; L718-A721 PolarHBondContact O-N 3.5Å; L718-A721 VanDerWaalsContact O-N 3.12Å; A721-R723 VanDerWaalsContact C-N 3.35Å; A721-R723 PolarHBondContact O-N 3.26Å; A721-V724 WeakPolarHBondContact O-CA 3.5Å; A721-V724 WeakPolarHBondContact O-CB 3.43Å; A721-V724 PolarHBondContact O-N 3.4Å; A721-K725 PolarHBondContact O-N 2.9Å; A721-K725 VanDerWaalsContact O-N 3.11Å
722	D	89.2	Confident	77.5	Confident	58 Å²	58	49.8 Å²	49.8	31%	0.31	26%	0.263	S	S	.	.	H	α-helix	trans	-56.4	-46.2	177.8	-160.5	55.5	0	0	0	111.7	F446 F448 L718 Y720 V724 K725 E726	F446-D722 HydrophobicContact CD1-CB 4.47Å; F448-D722 HydrophobicContact CE1-CB 4.46Å; L718-D722 VanDerWaalsContact O-CB 3.32Å; L718-D722 WeakPolarHBondContact O-CB 3.25Å; L718-D722 PolarHBondContact O-N 2.96Å; Y720-D722 PolarHBondContact O-N 2.92Å; D722-V724 VanDerWaalsContact C-N 3.28Å; D722-V724 PolarHBondContact O-N 2.79Å; D722-K725 WeakPolarHBondContact O-CB 3.3Å; D722-K725 PolarHBondContact O-N 2.96Å; D722-K725 VanDerWaalsContact O-N 3.08Å; D722-E726 PolarHBondContact O-N 3.16Å
723	R	84.8	Confident	74.8	Confident	148 Å²	148	50.1 Å²	50.1	56%	0.558	28%	0.276	S	S	*	.	H	α-helix	trans	-71.4	-14.9	174.4	-74.8	-173.8	-74.9	169	-7.4	114.8	R719 Y720 A721	R719-R723 PolarHBondContact O-NE 2.95Å; R719-R723 PolarHBondContact O-NH2 3.47Å; Y720-R723 PolarHBondContact O-N 3.08Å; Y720-R723 VanDerWaalsContact O-N 3.1Å; A721-R723 VanDerWaalsContact C-N 3.35Å; A721-R723 PolarHBondContact O-N 3.26Å
724	V	82.6	Confident	72.1	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.024	30%	0.3	C	S	.	.	H	α-helix	trans	-79.7	-31.1	169.1	-173.1	0	0	0	0	110.4	I396 V398 I666 M700 Y720 A721 D722 L727	I396-V724 HydrophobicContact CG2-CG1 3.98Å; V398-V724 HydrophobicContact CG2-CB 4.05Å; V398-V724 HydrophobicContact CG2-CG1 3.91Å; I666-V724 HydrophobicContact CD1-CG1 4.44Å; I666-V724 HydrophobicContact CG2-CB 4.16Å; I666-V724 HydrophobicContact CG2-CG1 3.91Å; I666-V724 HydrophobicContact CG2-CG2 3.79Å; M700-V724 HydrophobicContact CE-CG2 4.37Å; M700-V724 HydrophobicContact SD-CB 3.96Å; M700-V724 HydrophobicContact SD-CG1 4.04Å; M700-V724 HydrophobicContact SD-CG2 3.56Å; M700-V724 VanDerWaalsContact SD-CG2 3.56Å; Y720-V724 HydrophobicContact CD2-CG2 4.23Å; Y720-V724 HydrophobicContact CE1-CG2 4.36Å; Y720-V724 HydrophobicContact CE2-CG2 3.88Å; Y720-V724 WeakPolarHBondContact O-CG2 3.46Å; Y720-V724 PolarHBondContact O-N 3.24Å; Y720-V724 VanDerWaalsContact O-N 3.16Å; A721-V724 WeakPolarHBondContact O-CA 3.5Å; A721-V724 WeakPolarHBondContact O-CB 3.43Å; A721-V724 PolarHBondContact O-N 3.4Å; D722-V724 VanDerWaalsContact C-N 3.28Å; D722-V724 PolarHBondContact O-N 2.79Å; V724-L727 WeakPolarHBondContact O-CB 3.25Å; V724-L727 VanDerWaalsContact O-CG 3.28Å; V724-L727 WeakPolarHBondContact O-CG 3.47Å
725	K	79.5	Confident	69.3	Low	53 Å²	53	57 Å²	57	23%	0.23	33%	0.332	C	S	.	.	H	α-helix	trans	-75	-29.9	-179.4	178.4	168.1	170.2	158	0	113.6	V398 R447 F448 D449 A721 D722 L727 G728	V398-K725 HydrophobicContact CB-CB 4.19Å; V398-K725 HydrophobicContact CG2-CB 3.97Å; R447-K725 VanDerWaalsContact O-CD 3.26Å; R447-K725 WeakPolarHBondContact O-CD 3.28Å; R447-K725 WeakPolarHBondContact O-CE 3.15Å; R447-K725 PolarHBondContact O-NZ 2.59Å; F448-K725 PolarHBondContact O-NZ 3.31Å; D449-K725 WeakPolarHBondContact OD1-CD 3.18Å; D449-K725 WeakPolarHBondContact OD1-CE 3.47Å; D449-K725 IonicContact OD1-NZ 2.75Å; D449-K725 PolarHBondContact OD1-NZ 3.08Å; A721-K725 PolarHBondContact O-N 2.9Å; A721-K725 VanDerWaalsContact O-N 3.11Å; D722-K725 WeakPolarHBondContact O-CB 3.3Å; D722-K725 PolarHBondContact O-N 2.96Å; D722-K725 VanDerWaalsContact O-N 3.08Å; K725-L727 PolarHBondContact O-N 2.97Å; K725-G728 PolarHBondContact O-N 3.4Å
726	E	72.1	Confident	66.4	Low	143 Å²	143	64.2 Å²	64.2	67%	0.668	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-13.5	174	-65.5	-175.2	132.3	0	0	113.9	D722	D722-E726 PolarHBondContact O-N 3.16Å
727	L	64.2	Low	63.6	Low	26 Å²	26	66.1 Å²	66.1	14%	0.136	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-3	179.3	-48.7	-179.6	0	0	0	114.2	I396 I666 G670 V724 K725	I396-L727 HydrophobicContact CD1-CB 3.84Å; I396-L727 HydrophobicContact CD1-CD1 4.21Å; I666-L727 HydrophobicContact CB-CD1 4.43Å; I666-L727 HydrophobicContact CG2-CD1 3.43Å; I666-L727 VanDerWaalsContact CG2-CD1 3.43Å; I666-L727 VanDerWaalsContact O-CD1 3.24Å; I666-L727 WeakPolarHBondContact O-CD1 3.43Å; G670-L727 VanDerWaalsContact CA-CD2 3.5Å; V724-L727 WeakPolarHBondContact O-CB 3.25Å; V724-L727 VanDerWaalsContact O-CG 3.28Å; V724-L727 WeakPolarHBondContact O-CG 3.47Å; K725-L727 PolarHBondContact O-N 2.97Å
728	G	56.9	Low	60.9	Low	22 Å²	22	73 Å²	73	23%	0.227	43%	0.426	C	S	.	.	S	Bend	trans	-59.3	152.2	-177.3	0	0	0	0	0	113.3	K725 G730	K725-G728 PolarHBondContact O-N 3.4Å; G728-G730 PolarHBondContact O-N 3.44Å
729	P	46.4	Very low	58.2	Low	46 Å²	46	78.1 Å²	78.1	30%	0.299	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-63.4	1.1	-165.7	-27	37	0	0	0	118.6	Q395 T731 L732	Q395-P729 HydrophobicContact CB-CG 3.98Å; P729-T731 PolarHBondContact O-N 3.32Å; P729-L732 HydrophobicContact CB-CD1 4.1Å; P729-L732 WeakPolarHBondContact O-CB 3.49Å; P729-L732 PolarHBondContact O-N 3.05Å
730	G	41.6	Very low	55.7	Low	68 Å²	68	80.1 Å²	80.1	70%	0.701	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-60.9	-26.2	-175.8	0	0	0	0	0	115	G728	G728-G730 PolarHBondContact O-N 3.44Å
731	T	38.7	Very low	53.4	Low	108 Å²	108	87.2 Å²	87.2	66%	0.663	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-87.8	-7.3	175.1	54.6	0	0	0	0	113.6	P729	P729-T731 PolarHBondContact O-N 3.32Å
732	L	44.7	Very low	50.6	Low	60 Å²	60	93.6 Å²	93.6	31%	0.314	56%	0.555	S	S	.	*	S	Bend	trans	-91.1	-12.8	-168.8	-56	-175.6	0	0	0	114.3	R672 P729	R672-L732 VanDerWaalsContact NH2-CB 3.32Å; R672-L732 PolarHBondContact NH2-O 2.75Å; R672-L732 VanDerWaalsContact NH2-O 3.07Å; P729-L732 HydrophobicContact CB-CD1 4.1Å; P729-L732 WeakPolarHBondContact O-CB 3.49Å; P729-L732 PolarHBondContact O-N 3.05Å
733	S	36.3	Very low	48.2	Very low	106 Å²	106	95.7 Å²	95.7	74%	0.741	58%	0.58	S	S	*	*	S	Bend	trans	-123.8	-5.4	-167.7	-52.8	0	0	0	0	114.9
734	A	35.6	Very low	45.9	Very low	80 Å²	80	95.7 Å²	95.7	66%	0.661	60%	0.597	S	S	*	*	S	Bend	trans	-98.5	3.9	-164.4	0	0	0	0	0	115.8
735	S	34.3	Very low	43.6	Very low	95 Å²	95	99.2 Å²	99.2	66%	0.664	63%	0.634	S	S	*	*	S	Bend	trans	-112.7	2.7	-171	63	0	0	0	0	115.9
736	N	35.2	Very low	41.6	Very low	157 Å²	157	103.9 Å²	103.9	84%	0.84	66%	0.662	S	S	*	*			trans	-104.6	31.4	-175.5	-76.4	14.5	0	0	0	113.5
737	S	32	Very low	39.9	Very low	100 Å²	100	102.5 Å²	102.5	70%	0.699	66%	0.663	S	S	*	*			trans	-126.4	56.3	178.3	66.4	0	0	0	0	112.8
738	N	37.9	Very low	38.5	Very low	145 Å²	145	108 Å²	108	78%	0.775	69%	0.692	S	S	*	*			trans	-142	135.4	161.4	-82.8	-24.4	0	0	0	105.2
739	T	37.7	Very low	37.5	Very low	107 Å²	107	115.8 Å²	115.8	66%	0.656	72%	0.723	S	S	*	*			cis	178.6	139.6	-11.9	16	0	0	0	0	103.9
740	D	39.8	Very low	37	Very low	149 Å²	149	118.9 Å²	118.9	80%	0.797	74%	0.743	S	S	*	*			trans	78.5	161.4	151.3	-52.6	-23.2	0	0	0	122.1
741	L	40	Very low	36.7	Very low	156 Å²	156	123.7 Å²	123.7	82%	0.817	75%	0.747	S	S	*	*			trans	-101.6	158.7	-159.3	-71	87.5	0	0	0	112.8
742	P	33.7	Very low	36.5	Very low	134 Å²	134	125.7 Å²	125.7	87%	0.87	75%	0.753	S	S	*	*			trans	-79.6	121.6	-178.9	31	-34.7	0	0	0	113.5
743	A	38.5	Very low	36	Very low	102 Å²	102	127 Å²	127	84%	0.843	77%	0.768	S	S	*	*			trans	-148.2	136.2	162.1	0	0	0	0	0	111.8
744	T	36	Very low	36.1	Very low	149 Å²	149	127.4 Å²	127.4	91%	0.914	77%	0.77	S	S	*	*			trans	-72.9	144.8	-175.9	50.3	0	0	0	0	114.5
745	G	35.3	Very low	36	Very low	78 Å²	78	134.7 Å²	134.7	80%	0.804	78%	0.781	S	S	*	*			trans	166.8	74	165	0	0	0	0	0	120.1
746	N	36	Very low	36.1	Very low	151 Å²	151	135.1 Å²	135.1	81%	0.807	78%	0.783	S	S	*	*			trans	6.6	138	158.4	-76.3	-1.2	0	0	0	124.1
747	T	36.7	Very low	36.3	Very low	113 Å²	113	133 Å²	133	69%	0.693	78%	0.781	S	S	*	*			trans	81.3	121.9	135.8	49.8	0	0	0	0	124.5
748	N	36.3	Very low	36.5	Very low	141 Å²	141	135.1 Å²	135.1	75%	0.754	78%	0.784	S	S	*	*				76.1	95.4	128.2	-64.4	-5.3	0	0	0	123
749	Q	35.8	Very low	36.2	Very low	187 Å²	187	132.7 Å²	132.7	87%	0.874	78%	0.778	S	S	*	*				151.3	153.5	107.9	-88.9	-171.2	7.8	0	0	114.3
750	P	34	Very low	36.1	Very low	110 Å²	110	133.6 Å²	133.6	71%	0.714	78%	0.783	S	S	*	*			trans	-115	167.6	-179.5	41.5	-32.3	0	0	0	114.8
751	Q	36.6	Very low	35.9	Very low	169 Å²	169	133 Å²	133	79%	0.79	79%	0.785	S	S	*	*			trans	164.3	167.7	131	-92.7	-171	40.7	0	0	114.3
752	L	34.5	Very low	35.7	Very low	151 Å²	151	130.1 Å²	130.1	79%	0.791	78%	0.784	S	S	*	*			trans	71.4	161.1	164.2	-59.5	120.5	0	0	0	118.8
753	S	34.6	Very low	35.6	Very low	88 Å²	88	126.9 Å²	126.9	62%	0.615	78%	0.775	S	S	*	*				178.3	153.4	-72.1	54.2	0	0	0	0	112.1
754	S	37.7	Very low	35.4	Very low	113 Å²	113	127.8 Å²	127.8	79%	0.79	78%	0.775	S	S	*	*			trans	71.4	163.6	167.6	85.9	0	0	0	0	116.1
755	R	34.4	Very low	35.4	Very low	234 Å²	234	127 Å²	127	88%	0.883	77%	0.77	S	S	*	*			cis	-151.8	155.7	8.2	-160.5	164.3	172.3	168.2	-4.6	113.2
756	S	35.5	Very low	35.3	Very low	103 Å²	103	129.4 Å²	129.4	72%	0.72	77%	0.769	S	S	*	*			trans	-80.3	166.4	-176.7	-28.2	0	0	0	0	116.3
757	S	38.4	Very low	35.1	Very low	113 Å²	113	128.5 Å²	128.5	79%	0.79	77%	0.769	S	S	*	*			trans	-154.3	125	149.1	-74.1	0	0	0	0	107.9
758	N	37.9	Very low	35	Very low	145 Å²	145	129.1 Å²	129.1	78%	0.775	78%	0.775	S	S	*	*				78	136.3	59.9	-72.5	3.3	0	0	0	112.7
759	C	30.9	Very low	34.7	Very low	94 Å²	94	130.3 Å²	130.3	64%	0.635	78%	0.776	S	S	*	*			cis	-166.5	154.6	-0.2	-129.4	0	0	0	0	113.7
760	T	34.7	Very low	34.6	Very low	126 Å²	126	129.3 Å²	129.3	77%	0.773	77%	0.774	S	S	*	*			trans	59	165.6	153.3	55.2	0	0	0	0	118.7
761	V	37	Very low	34.3	Very low	136 Å²	136	129.6 Å²	129.6	82%	0.824	77%	0.77	S	S	*	*			cis	-150.2	167.3	20.5	-170.8	0	0	0	0	108.3
762	A	34.4	Very low	34.2	Very low	96 Å²	96	130.7 Å²	130.7	79%	0.793	77%	0.773	S	S	*	*				-168	153	-59.9	0	0	0	0	0	109.6
763	G	33.2	Very low	34.1	Very low	66 Å²	66	134.3 Å²	134.3	68%	0.68	78%	0.776	S	S	*	*			trans	144.8	102.7	175.6	0	0	0	0	0	112
764	S	33.3	Very low	33.8	Very low	121 Å²	121	137.5 Å²	137.5	85%	0.846	79%	0.786	S	S	*	*				69	125.2	69.2	-57	0	0	0	0	111.6
765	T	36.3	Very low	33.8	Very low	133 Å²	133	138 Å²	138	82%	0.816	79%	0.787	S	S	*	*			cis	-146.3	175.3	21.4	50.5	0	0	0	0	110.3
766	V	33.7	Very low	33.9	Very low	128 Å²	128	132.7 Å²	132.7	78%	0.776	78%	0.782	S	S	*	*			cis	-163.4	153.9	-20.5	135.4	0	0	0	0	107.3
767	T	30.5	Very low	33.6	Very low	132 Å²	132	135.2 Å²	135.2	81%	0.81	79%	0.788	S	S	*	*			trans	-143.3	151.2	168.2	49.4	0	0	0	0	112.3
768	P	35.8	Very low	33.4	Very low	126 Å²	126	136.7 Å²	136.7	82%	0.818	79%	0.792	S	S	*	*			trans	-104	148	165.4	36.4	-29.1	0	0	0	112.6
769	Q	29.8	Very low	33	Very low	165 Å²	165	137.2 Å²	137.2	77%	0.771	80%	0.795	S	S	*	*			trans	-109	149.8	165.9	-81.2	-163	-18.4	0	0	110.9
770	I	34.4	Very low	33.1	Very low	166 Å²	166	141.1 Å²	141.1	85%	0.851	81%	0.808	S	S	*	*			trans	-134.2	133.2	153.3	-58.6	-177.5	0	0	0	108
771	N	26.7	Very low	32.8	Very low	117 Å²	117	138 Å²	138	63%	0.626	80%	0.801	S	S	*	*			trans	-102.2	152.3	173	-69.3	-81.1	0	0	0	109.6
772	F	34.3	Very low	32.6	Very low	192 Å²	192	138 Å²	138	84%	0.842	80%	0.801	S	S	*	*			trans	177.3	115.7	137.7	-80.8	-54	0	0	0	107.4
773	R	32.6	Very low	32.3	Very low	226 Å²	226	139.3 Å²	139.3	85%	0.853	80%	0.804	S	S	*	*				92.7	104.9	57.6	-165.2	-177.4	-153.5	-165.6	7.2	112.8
774	N	27.5	Very low	32.2	Very low	156 Å²	156	139.9 Å²	139.9	83%	0.834	81%	0.811	S	S	*	*			trans	-67.7	154.7	-173.4	-48.8	13.7	0	0	0	115.3
775	P	39.1	Very low	31.9	Very low	123 Å²	123	142 Å²	142	80%	0.799	81%	0.812	S	S	*	*			trans	-106	163.1	149.4	37.5	-29.3	0	0	0	112.9
776	P	36.4	Very low	31.6	Very low	123 Å²	123	143.2 Å²	143.2	80%	0.799	81%	0.812	S	S	*	*			trans	-110.8	170.2	-174.5	41.1	-34.8	0	0	0	116.6
777	N	29.6	Very low	31.4	Very low	156 Å²	156	143 Å²	143	83%	0.834	81%	0.806	S	S	*	*			trans	-28.4	140.2	176.8	-55.4	-4.8	0	0	0	119.9
778	T	32.8	Very low	31.2	Very low	143 Å²	143	142.3 Å²	142.3	88%	0.877	81%	0.807	S	S	*	*			trans	-144.3	139.9	144.5	44.5	0	0	0	0	111.1
779	N	29.6	Very low	31	Very low	157 Å²	157	142.5 Å²	142.5	84%	0.84	80%	0.795	S	S	*	*			trans	-97	135.3	177.1	-75.7	-24.2	0	0	0	112.3
780	I	33.9	Very low	30.9	Very low	176 Å²	176	141.2 Å²	141.2	90%	0.903	79%	0.793	S	S	*	*			trans	-178.5	139.8	154.4	-86.9	138.5	0	0	0	103.3
781	G	27.6	Very low	30.7	Very low	60 Å²	60	141.6 Å²	141.6	62%	0.619	79%	0.785	S	S	*	*			cis	142.9	150.7	5.2	0	0	0	0	0	109.4
782	T	33.3	Very low	30.7	Very low	137 Å²	137	145.8 Å²	145.8	84%	0.84	79%	0.793	S	S	*	*			trans	83.8	92.6	174.9	-21.6	0	0	0	0	118.1
783	S	28.3	Very low	30.5	Very low	122 Å²	122	144.7 Å²	144.7	85%	0.853	80%	0.795	S	S	*	*			trans	41.2	116.1	131	-47.3	0	0	0	0	122.1
784	G	30.5	Very low	30.2	Very low	79 Å²	79	138.2 Å²	138.2	81%	0.814	78%	0.784	S	S	*	*			trans	-153.7	93.8	158.7	0	0	0	0	0	112
785	N	26.8	Very low	30.3	Very low	166 Å²	166	136.7 Å²	136.7	89%	0.888	79%	0.786	S	S	*	*			trans	-76	144	171.7	-82.9	-22.4	0	0	0	110.5
786	I	29.8	Very low	29.7	Very low	157 Å²	157	136.9 Å²	136.9	81%	0.805	78%	0.78	S	S	*	*			trans	-162.7	126.7	132.8	-105.5	150.8	0	0	0	112.6
787	L	29.5	Very low	29.5	Very low	125 Å²	125	137.7 Å²	137.7	65%	0.654	78%	0.778	S	S	*	*			trans	31.3	103.6	162.2	-70.1	85	0	0	0	120.4	K789	L787-K789 HydrophobicContact CD2-CD 4.24Å; L787-K789 HydrophobicContact CD2-CG 4.05Å
788	S	26.4	Very low	29.6	Very low	117 Å²	117	136.4 Å²	136.4	82%	0.818	77%	0.771	S	S	*	*			trans	-68.8	151.6	130.8	53.8	0	0	0	0	110.5
789	K	31.5	Very low	29.5	Very low	130 Å²	130	135 Å²	135	57%	0.565	76%	0.758	S	S	*	*			trans	-134.4	92.7	176.1	-90.3	-176.7	165.8	-166.2	0	112.2	L787 Y791	L787-K789 HydrophobicContact CD2-CD 4.24Å; L787-K789 HydrophobicContact CD2-CG 4.05Å; K789-Y791 HydrophobicContact CB-CD2 4.49Å; K789-Y791 HydrophobicContact CB-CE2 4.17Å; K789-Y791 HydrophobicContact CD-CE2 3.85Å; K789-Y791 WeakPolarHBondContact CE-OH 3.48Å; K789-Y791 HydrophobicContact CG-CE2 4.35Å; K789-Y791 PolarHBondContact NZ-OH 2.77Å
790	N	28.6	Very low	29.5	Very low	137 Å²	137	136.3 Å²	136.3	73%	0.733	76%	0.757	S	S	*	*			trans	-72.4	128.8	159.3	-71.7	-28.6	0	0	0	109.2	Y792	N790-Y792 HydrophobicContact CB-CD2 4.36Å; N790-Y792 HydrophobicContact CB-CE2 4.46Å
791	Y	29.3	Very low	29.4	Very low	174 Å²	174	132.4 Å²	132.4	68%	0.682	75%	0.745	S	S	*	*			trans	-113.6	82.6	166.2	-79.8	-69.4	0	0	0	110.6	K789	K789-Y791 HydrophobicContact CB-CD2 4.49Å; K789-Y791 HydrophobicContact CB-CE2 4.17Å; K789-Y791 HydrophobicContact CD-CE2 3.85Å; K789-Y791 WeakPolarHBondContact CE-OH 3.48Å; K789-Y791 HydrophobicContact CG-CE2 4.35Å; K789-Y791 PolarHBondContact NZ-OH 2.77Å
792	Y	27.8	Very low	29.6	Very low	206 Å²	206	135.8 Å²	135.8	81%	0.808	75%	0.749	S	S	*	*			trans	-69.6	132.5	155.2	-71.6	-87	0	0	0	108.8	N790	N790-Y792 HydrophobicContact CB-CD2 4.36Å; N790-Y792 HydrophobicContact CB-CE2 4.46Å
793	L	28.9	Very low	29.6	Very low	169 Å²	169	135 Å²	135	89%	0.885	74%	0.739	S	S	*	*			trans	-105.6	118	151.3	-113.1	73.3	0	0	0	107.5
794	S	26.7	Very low	29.8	Very low	89 Å²	89	135.3 Å²	135.3	62%	0.622	73%	0.732	S	S	*	*			trans	-86.5	134.6	169	-172.9	0	0	0	0	109.8	N796	S794-N796 PolarHBondContact OG-OD1 3.29Å
795	S	29.2	Very low	29.6	Very low	125 Å²	125	142.2 Å²	142.2	87%	0.874	73%	0.733	S	S	*	*			trans	-114.1	102.4	151.9	-74.4	0	0	0	0	107.2
796	N	28.1	Very low	29.9	Very low	126 Å²	126	142.6 Å²	142.6	67%	0.674	73%	0.73	S	S	*	*			trans	-64.5	142.2	174.9	-64.6	-12.8	0	0	0	110	S794	S794-N796 PolarHBondContact OG-OD1 3.29Å
797	N	31.2	Very low	29.8	Very low	141 Å²	141	141.6 Å²	141.6	75%	0.754	73%	0.726	S	S	*	*				-174.2	124.3	109.4	-85	-20.9	0	0	0	110.3
798	N	31.5	Very low	29.8	Very low	128 Å²	128	143.7 Å²	143.7	68%	0.684	74%	0.738	S	S	*	*			trans	50.4	135	131.4	-59	43	0	0	0	119.5
799	D	30.6	Very low	29.9	Very low	113 Å²	113	143.9 Å²	143.9	60%	0.604	73%	0.734	S	S	*	*			cis	-171.6	153.1	3.8	-121.2	-31.3	0	0	0	112.2
800	F	29.6	Very low	30	Very low	186 Å²	186	145.1 Å²	145.1	82%	0.816	75%	0.746	S	S	*	*			trans	46	144	166	-68.1	-96.3	0	0	0	119.7
801	S	32.8	Very low	30.2	Very low	93 Å²	93	144.7 Å²	144.7	65%	0.65	75%	0.749	S	S	*	*			cis	-169.5	-155	-9.8	56.2	0	0	0	0	106
802	N	32.3	Very low	30.1	Very low	131 Å²	131	144 Å²	144	70%	0.701	76%	0.757	S	S	*	*			cis	-171.7	156.9	-6	-116.5	-35.2	0	0	0	104.1
803	N	33	Very low	30.2	Very low	120 Å²	120	141.8 Å²	141.8	64%	0.642	76%	0.759	S	S	*	*			cis	-163.4	-176.8	-20.9	-149.3	-45.2	0	0	0	108
804	N	32.6	Very low	30.3	Very low	130 Å²	130	142 Å²	142	70%	0.695	76%	0.755	S	S	*	*			trans	63.8	120.1	174.3	-63.4	7.8	0	0	0	116
805	W	26.2	Very low	30.4	Very low	224 Å²	224	143 Å²	143	85%	0.848	76%	0.757	S	S	*	*			cis	69.9	102.1	5.9	-70.9	68.5	0	0	0	118.5
806	Q	32.2	Very low	30.3	Very low	173 Å²	173	144.3 Å²	144.3	81%	0.808	76%	0.755	S	S	*	*			trans	-174.8	102.8	141.2	-98.7	154.5	22.7	0	0	106.9
807	N	28.6	Very low	30.3	Very low	137 Å²	137	144.4 Å²	144.4	73%	0.733	77%	0.765	S	S	*	*				65.2	103.6	87.4	-79	6	0	0	0	114.7
808	D	29.5	Very low	30.2	Very low	169 Å²	169	145.8 Å²	145.8	90%	0.904	77%	0.771	S	S	*	*				-153	158	124.9	-131.1	-27.4	0	0	0	111.2
809	T	28.5	Very low	30.4	Very low	120 Å²	120	143.6 Å²	143.6	74%	0.736	77%	0.77	S	S	*	*			trans	-128.5	130.5	-162.6	-53.7	0	0	0	0	113.5
810	L	33.2	Very low	30.4	Very low	157 Å²	157	142.8 Å²	142.8	82%	0.822	79%	0.788	S	S	*	*			trans	-163.7	136.9	158.1	-108.5	162.6	0	0	0	113.8
811	T	33.3	Very low	30.8	Very low	128 Å²	128	136.6 Å²	136.6	79%	0.785	78%	0.777	S	S	*	*			trans	58	116.1	164.6	49.4	0	0	0	0	120.4
812	N	25.6	Very low	31.5	Very low	158 Å²	158	136.3 Å²	136.3	85%	0.845	77%	0.768	S	S	*	*			trans	-59.7	143.3	175.1	-56.6	-30.4	0	0	0	114.9
813	N	30.5	Very low	32.5	Very low	160 Å²	160	132.2 Å²	132.2	86%	0.856	76%	0.757	S	S	*	*				-157.2	147.2	125.5	-97.2	-38.3	0	0	0	109.9
814	H	30.8	Very low	33.6	Very low	175 Å²	175	131 Å²	131	81%	0.81	75%	0.751	S	S	*	*			trans	-57.9	133.7	177.7	-98.2	-122.7	0	0	0	110.5
815	V	28.4	Very low	34.7	Very low	108 Å²	108	125.4 Å²	125.4	66%	0.655	72%	0.721	S	S	*	*				74.2	128.4	50.7	178.6	0	0	0	0	112.3
816	N	26.9	Very low	36.3	Very low	154 Å²	154	117.1 Å²	117.1	82%	0.824	70%	0.7	S	S	*	*			trans	78	95.6	-179.5	-61	-12.3	0	0	0	118.2
817	S	28.4	Very low	37.5	Very low	128 Å²	128	114.5 Å²	114.5	90%	0.895	69%	0.689	S	S	*	*			trans	-157.6	75.1	140.4	-161.6	0	0	0	0	110.2
818	I	29.4	Very low	38.6	Very low	170 Å²	170	111 Å²	111	87%	0.872	67%	0.67	S	S	*	*			trans	-109.5	155.4	165.4	-66.2	175.8	0	0	0	106.4
819	A	35.8	Very low	39.7	Very low	81 Å²	81	109.5 Å²	109.5	67%	0.669	65%	0.652	S	S	*	*			trans	70.7	98.8	-173.1	0	0	0	0	0	114.6	G821	A819-G821 PolarHBondContact O-N 2.88Å
820	G	30.7	Very low	41.1	Very low	96 Å²	96	108.1 Å²	108.1	99%	0.99	65%	0.647	S	S	*	*			trans	-85.4	96.9	158.4	0	0	0	0	0	109.1
821	G	38.7	Very low	42.2	Very low	56 Å²	56	104 Å²	104	58%	0.577	64%	0.636	S	S	*	*			trans	-143.3	-45.2	-178.7	0	0	0	0	0	113.8	A819 G823	A819-G821 PolarHBondContact O-N 2.88Å; G821-G823 PolarHBondContact O-N 2.8Å
822	D	46.6	Very low	43.1	Very low	87 Å²	87	100.9 Å²	100.9	47%	0.465	62%	0.615	S	S	.	*			trans	-74.3	36.7	-162.1	-47	-12.3	0	0	0	115.4	D824 A826	D822-D824 PolarHBondContact O-N 3.18Å; D822-A826 WeakPolarHBondContact O-CA 3.49Å; D822-A826 WeakPolarHBondContact O-CB 3.23Å; D822-A826 PolarHBondContact O-N 3.32Å
823	G	54.5	Low	44.1	Very low	46 Å²	46	102.4 Å²	102.4	47%	0.474	62%	0.617	S	S	.	*	H	α-helix	trans	-58.7	-48.4	-174.2	0	0	0	0	0	113.6	G821 M827	G821-G823 PolarHBondContact O-N 2.8Å; G823-M827 WeakPolarHBondContact O-CB 3.41Å; G823-M827 PolarHBondContact O-N 3.21Å; G823-M827 VanDerWaalsContact O-N 3.15Å
824	D	55.2	Low	45.4	Very low	95 Å²	95	98.5 Å²	98.5	51%	0.508	61%	0.614	S	S	.	*	H	α-helix	trans	-87.5	-29.5	-174.4	-63.4	-19.1	0	0	0	111.5	K657 D822 M827 L828	K657-D824 IonicContact NZ-OD1 2.82Å; K657-D824 PolarHBondContact NZ-OD1 2.97Å; K657-D824 IonicContact NZ-OD2 2.79Å; K657-D824 PolarHBondContact NZ-OD2 2.69Å; D822-D824 PolarHBondContact O-N 3.18Å; D824-M827 WeakPolarHBondContact O-CB 3.28Å; D824-M827 PolarHBondContact O-N 2.79Å; D824-L828 PolarHBondContact O-N 3.42Å
825	L	56.6	Low	46.7	Very low	11 Å²	11	97.6 Å²	97.6	6%	0.058	61%	0.61	C	S	.	*	H	α-helix	trans	-72.5	-39.4	171.5	-163.1	99.7	0	0	0	112.8	M827 L828 R829 H844 E845	L825-M827 VanDerWaalsContact C-N 3.27Å; L825-M827 PolarHBondContact O-N 2.9Å; L825-L828 PolarHBondContact O-N 2.78Å; L825-R829 WeakPolarHBondContact O-CG 3.29Å; L825-R829 PolarHBondContact O-N 2.92Å; L825-H844 HydrophobicContact CD1-CB 3.76Å; L825-E845 HydrophobicContact CD1-CG 4Å; L825-E845 HydrophobicContact CD2-CG 3.67Å; L825-E845 WeakPolarHBondContact CD2-OE1 3.27Å
826	A	58	Low	48.2	Very low	50 Å²	50	94.7 Å²	94.7	41%	0.413	59%	0.592	S	S	.	*	H	α-helix	trans	-66.6	-31.8	170.3	0	0	0	0	0	111.2	D822 R829 S830	D822-A826 WeakPolarHBondContact O-CA 3.49Å; D822-A826 WeakPolarHBondContact O-CB 3.23Å; D822-A826 PolarHBondContact O-N 3.32Å; A826-R829 PolarHBondContact O-N 3.46Å; A826-S830 VanDerWaalsContact O-CB 3.23Å; A826-S830 WeakPolarHBondContact O-CB 3.49Å; A826-S830 PolarHBondContact O-N 3Å; A826-S830 PolarHBondContact O-OG 3.22Å; A826-S830 VanDerWaalsContact O-OG 3.11Å
827	M	58.5	Low	50.2	Low	118 Å²	118	91 Å²	91	58%	0.581	58%	0.577	S	S	*	*	H	α-helix	trans	-60.3	-48.9	169.1	-94.7	-177.9	48.1	0	0	111.6	G823 D824 L825 R829 S830 A831	G823-M827 WeakPolarHBondContact O-CB 3.41Å; G823-M827 PolarHBondContact O-N 3.21Å; G823-M827 VanDerWaalsContact O-N 3.15Å; D824-M827 WeakPolarHBondContact O-CB 3.28Å; D824-M827 PolarHBondContact O-N 2.79Å; L825-M827 VanDerWaalsContact C-N 3.27Å; L825-M827 PolarHBondContact O-N 2.9Å; M827-R829 PolarHBondContact O-N 2.8Å; M827-S830 WeakPolarHBondContact CA-OG 3.3Å; M827-S830 CarbonylContact O-C 3.45Å; M827-S830 PolarHBondContact O-N 2.71Å; M827-S830 VanDerWaalsContact O-N 3.11Å; M827-S830 PolarHBondContact O-OG 3.02Å; M827-A831 VanDerWaalsContact O-CB 3.28Å; M827-A831 WeakPolarHBondContact O-CB 3.3Å; M827-A831 PolarHBondContact O-N 3.49Å
828	L	51.6	Low	52.2	Low	65 Å²	65	92.9 Å²	92.9	34%	0.34	57%	0.571	S	S	.	*	H	α-helix	trans	-56.4	-49.6	174.5	-77	168.1	0	0	0	112	D824 L825 S830 A831 N832	D824-L828 PolarHBondContact O-N 3.42Å; L825-L828 PolarHBondContact O-N 2.78Å; L828-S830 PolarHBondContact O-N 2.77Å; L828-A831 PolarHBondContact O-N 2.84Å; L828-N832 PolarHBondContact O-N 2.66Å
829	R	53.3	Low	54.2	Low	136 Å²	136	89.9 Å²	89.9	51%	0.513	55%	0.554	S	S	.	*	H	α-helix	trans	-59.6	-30	176.1	-69.6	172.9	177.5	-103.9	6.8	113	L825 A826 M827 E845	L825-R829 WeakPolarHBondContact O-CG 3.29Å; L825-R829 PolarHBondContact O-N 2.92Å; A826-R829 PolarHBondContact O-N 3.46Å; M827-R829 PolarHBondContact O-N 2.8Å; R829-E845 IonicContact CZ-OE1 3.58Å; R829-E845 IonicContact NH2-OE1 3.67Å; R829-E845 PolarHBondContact NH2-OE1 2.95Å
830	S	57.5	Low	56	Low	91 Å²	91	88 Å²	88	64%	0.636	53%	0.534	S	S	*	.	H	α-helix	trans	-92.3	-19.7	-179.4	73.7	0	0	0	0	115.5	A826 M827 L828	A826-S830 VanDerWaalsContact O-CB 3.23Å; A826-S830 WeakPolarHBondContact O-CB 3.49Å; A826-S830 PolarHBondContact O-N 3Å; A826-S830 PolarHBondContact O-OG 3.22Å; A826-S830 VanDerWaalsContact O-OG 3.11Å; M827-S830 WeakPolarHBondContact CA-OG 3.3Å; M827-S830 CarbonylContact O-C 3.45Å; M827-S830 PolarHBondContact O-N 2.71Å; M827-S830 VanDerWaalsContact O-N 3.11Å; M827-S830 PolarHBondContact O-OG 3.02Å; L828-S830 PolarHBondContact O-N 2.77Å
831	A	56.3	Low	57.9	Low	71 Å²	71	84.7 Å²	84.7	59%	0.587	49%	0.494	S	S	*	.	H	α-helix	trans	-88.4	-37.2	-178.1	0	0	0	0	0	112	M827 L828	M827-A831 VanDerWaalsContact O-CB 3.28Å; M827-A831 WeakPolarHBondContact O-CB 3.3Å; M827-A831 PolarHBondContact O-N 3.49Å; L828-A831 PolarHBondContact O-N 2.84Å
832	N	52.1	Low	59.8	Low	63 Å²	63	86.6 Å²	86.6	34%	0.337	49%	0.487	S	S	.	.			trans	-128.5	64.9	-172.9	-72	63.4	0	0	0	110.9	L828 G834 E835 V836	L828-N832 PolarHBondContact O-N 2.66Å; N832-G834 VanDerWaalsContact C-N 3.31Å; N832-G834 PolarHBondContact O-N 3.49Å; N832-E835 HydrophobicContact CB-CB 4.27Å; N832-E835 PolarHBondContact ND2-OE2 3.08Å; N832-E835 PolarHBondContact O-N 3.21Å; N832-V836 HydrophobicContact CB-CG2 4.01Å
833	E	47.1	Very low	61.3	Low	190 Å²	190	84.2 Å²	84.2	89%	0.888	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	91.9	165.5	-77.2	-165.7	150.8	0	0	109.9
834	G	56.3	Low	62.5	Low	78 Å²	78	85.8 Å²	85.8	80%	0.804	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.7	-6.4	171.5	0	0	0	0	0	117.4	N832	N832-G834 VanDerWaalsContact C-N 3.31Å; N832-G834 PolarHBondContact O-N 3.49Å
835	E	59.6	Low	63.6	Low	156 Å²	156	84.5 Å²	84.5	73%	0.729	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-9.3	-174	-67.6	-172.3	157.1	0	0	116	N832	N832-E835 HydrophobicContact CB-CB 4.27Å; N832-E835 PolarHBondContact ND2-OE2 3.08Å; N832-E835 PolarHBondContact O-N 3.21Å
836	V	58.7	Low	64.7	Low	46 Å²	46	85.2 Å²	85.2	28%	0.279	46%	0.463	S	S	.	.	S	Bend	trans	-105.6	122.6	-179.3	-172.9	0	0	0	0	110.4	N832 V840 L841	N832-V836 HydrophobicContact CB-CG2 4.01Å; V836-V840 HydrophobicContact CG1-CB 4.1Å; V836-V840 HydrophobicContact CG1-CG1 4.12Å; V836-L841 HydrophobicContact CG1-CD2 3.95Å; V836-L841 HydrophobicContact CG1-CG 3.95Å
837	P	69.8	Low	65.7	Low	77 Å²	77	85.2 Å²	85.2	50%	0.5	46%	0.456	S	S	.	.			trans	-61.5	143.6	175.2	-23.3	33.7	0	0	0	112.8	E839 V840 L841	P837-E839 PolarHBondContact O-N 2.57Å; P837-V840 HydrophobicContact CB-CG2 4.21Å; P837-V840 HydrophobicContact CG-CG2 4.29Å; P837-V840 WeakPolarHBondContact O-CB 3.41Å; P837-V840 PolarHBondContact O-N 3.23Å; P837-L841 PolarHBondContact O-N 2.91Å
838	E	70.4	Confident	66.6	Low	167 Å²	167	82.4 Å²	82.4	78%	0.78	44%	0.443	S	S	*	.	H	α-helix	trans	-61.5	-31.7	180	-168	166.4	-155.7	0	0	112.3	V840 L841 H842	E838-V840 VanDerWaalsContact C-N 3.3Å; E838-V840 PolarHBondContact O-N 3.13Å; E838-L841 PolarHBondContact O-N 2.92Å; E838-H842 WeakPolarHBondContact O-CB 3.45Å; E838-H842 PolarHBondContact O-N 3.38Å
839	E	70.3	Confident	68.1	Low	107 Å²	107	83.7 Å²	83.7	50%	0.5	45%	0.448	S	S	.	.	H	α-helix	trans	-56.4	-40.8	170.6	-62.7	179.6	-170.8	0	0	112.8	P837 F843 N934	P837-E839 PolarHBondContact O-N 2.57Å; E839-F843 WeakPolarHBondContact O-CB 3.4Å; E839-F843 PolarHBondContact O-N 3.26Å; E839-N934 PolarHBondContact OE2-ND2 3.1Å
840	V	74.4	Confident	69.6	Low	43 Å²	43	78 Å²	78	26%	0.261	43%	0.427	S	S	.	.	H	α-helix	trans	-74.6	-36.6	-179.6	178.7	0	0	0	0	110.5	V836 P837 E838 F843 H844 L931	V836-V840 HydrophobicContact CG1-CB 4.1Å; V836-V840 HydrophobicContact CG1-CG1 4.12Å; P837-V840 HydrophobicContact CB-CG2 4.21Å; P837-V840 HydrophobicContact CG-CG2 4.29Å; P837-V840 WeakPolarHBondContact O-CB 3.41Å; P837-V840 PolarHBondContact O-N 3.23Å; E838-V840 VanDerWaalsContact C-N 3.3Å; E838-V840 PolarHBondContact O-N 3.13Å; V840-F843 PolarHBondContact O-N 3.2Å; V840-H844 PolarHBondContact O-N 2.84Å; V840-H844 VanDerWaalsContact O-N 3.11Å; V840-H844 PolarHBondContact O-ND1 3.26Å; V840-L931 HydrophobicContact CG2-CD2 4.26Å
841	L	71	Confident	70.7	Confident	26 Å²	26	78 Å²	78	14%	0.136	42%	0.417	C	S	.	.	H	α-helix	trans	-64.2	-45.7	172.7	-66.9	174.7	0	0	0	111.1	V836 P837 E838 F843 H844 E845	V836-L841 HydrophobicContact CG1-CD2 3.95Å; V836-L841 HydrophobicContact CG1-CG 3.95Å; P837-L841 PolarHBondContact O-N 2.91Å; E838-L841 PolarHBondContact O-N 2.92Å; L841-F843 VanDerWaalsContact C-N 3.34Å; L841-F843 PolarHBondContact O-N 3.21Å; L841-H844 PolarHBondContact O-N 2.77Å; L841-E845 WeakPolarHBondContact O-CG 3.4Å; L841-E845 PolarHBondContact O-N 2.94Å
842	H	78.3	Confident	72	Confident	95 Å²	95	81 Å²	81	44%	0.44	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-40	177.2	-174	50.8	0	0	0	112.2	E838 H844 E845 V846	E838-H842 WeakPolarHBondContact O-CB 3.45Å; E838-H842 PolarHBondContact O-N 3.38Å; H842-H844 PolarHBondContact O-N 2.64Å; H842-E845 PolarHBondContact O-N 2.85Å; H842-V846 WeakPolarHBondContact O-CG2 3.28Å; H842-V846 PolarHBondContact O-N 3.35Å
843	F	78.8	Confident	73.6	Confident	37 Å²	37	79.1 Å²	79.1	16%	0.162	40%	0.403	C	S	.	.	H	α-helix	trans	-60	-42.6	173.8	-174.8	-103.2	0	0	0	112.2	E839 V840 L841 V846 I847 E924 L927 L931	E839-F843 WeakPolarHBondContact O-CB 3.4Å; E839-F843 PolarHBondContact O-N 3.26Å; V840-F843 PolarHBondContact O-N 3.2Å; L841-F843 VanDerWaalsContact C-N 3.34Å; L841-F843 PolarHBondContact O-N 3.21Å; F843-V846 PolarHBondContact O-N 3.49Å; F843-I847 HydrophobicContact CD1-CG1 4.22Å; F843-I847 HydrophobicContact CE1-CD1 4.22Å; F843-I847 HydrophobicContact CE1-CG1 3.85Å; F843-I847 HydrophobicContact CZ-CD1 3.97Å; F843-I847 HydrophobicContact CZ-CG1 4.01Å; F843-I847 VanDerWaalsContact O-CG1 3.3Å; F843-I847 WeakPolarHBondContact O-CG1 3.43Å; F843-I847 PolarHBondContact O-N 2.98Å; F843-E924 HydrophobicContact CE2-CG 4.05Å; F843-E924 HydrophobicContact CZ-CG 4.42Å; F843-E924 WeakPolarHBondContact CZ-OE1 3.42Å; F843-L927 HydrophobicContact CD2-CB 4.05Å; F843-L927 HydrophobicContact CE2-CB 4.42Å; F843-L931 HydrophobicContact CB-CD1 4.38Å; F843-L931 HydrophobicContact CB-CD2 4.09Å; F843-L931 HydrophobicContact CD1-CD2 4.4Å; F843-L931 HydrophobicContact CD2-CD1 4.38Å; F843-L931 HydrophobicContact CG-CD2 4.1Å
844	H	78.6	Confident	75.5	Confident	79 Å²	79	74.6 Å²	74.6	37%	0.366	38%	0.381	S	S	.	.	H	α-helix	trans	-65.5	-40.2	174.4	-74.9	78.6	0	0	0	112.5	L825 V840 L841 H842 V846 I847 D848	L825-H844 HydrophobicContact CD1-CB 3.76Å; V840-H844 PolarHBondContact O-N 2.84Å; V840-H844 VanDerWaalsContact O-N 3.11Å; V840-H844 PolarHBondContact O-ND1 3.26Å; L841-H844 PolarHBondContact O-N 2.77Å; H842-H844 PolarHBondContact O-N 2.64Å; H844-V846 VanDerWaalsContact C-N 3.3Å; H844-V846 PolarHBondContact O-N 2.88Å; H844-I847 PolarHBondContact O-N 2.83Å; H844-D848 WeakPolarHBondContact O-CB 3.45Å; H844-D848 PolarHBondContact O-N 2.95Å
845	E	78.8	Confident	76.9	Confident	69 Å²	69	75.3 Å²	75.3	32%	0.322	36%	0.364	S	S	.	.	H	α-helix	trans	-61.3	-37	176	-72.8	173.5	-176.9	0	0	112.4	L825 R829 L841 H842 Q849	L825-E845 HydrophobicContact CD1-CG 4Å; L825-E845 HydrophobicContact CD2-CG 3.67Å; L825-E845 WeakPolarHBondContact CD2-OE1 3.27Å; R829-E845 IonicContact CZ-OE1 3.58Å; R829-E845 IonicContact NH2-OE1 3.67Å; R829-E845 PolarHBondContact NH2-OE1 2.95Å; L841-E845 WeakPolarHBondContact O-CG 3.4Å; L841-E845 PolarHBondContact O-N 2.94Å; H842-E845 PolarHBondContact O-N 2.85Å; E845-Q849 PolarHBondContact O-N 2.72Å
846	V	79.5	Confident	78.3	Confident	25 Å²	25	72.6 Å²	72.6	15%	0.152	35%	0.351	C	S	.	.	H	α-helix	trans	-70.6	-43.7	174.6	171.2	0	0	0	0	111.8	H842 F843 H844 Q849 I850 E924 L927	H842-V846 WeakPolarHBondContact O-CG2 3.28Å; H842-V846 PolarHBondContact O-N 3.35Å; F843-V846 PolarHBondContact O-N 3.49Å; H844-V846 VanDerWaalsContact C-N 3.3Å; H844-V846 PolarHBondContact O-N 2.88Å; V846-Q849 WeakPolarHBondContact O-CB 3.3Å; V846-Q849 PolarHBondContact O-N 3.42Å; V846-I850 HydrophobicContact CG1-CD1 3.88Å; V846-I850 WeakPolarHBondContact O-CG1 3.45Å; V846-I850 PolarHBondContact O-N 2.87Å; V846-E924 HydrophobicContact CG1-CB 4.16Å; V846-L927 HydrophobicContact CB-CD1 4.33Å; V846-L927 HydrophobicContact CG1-CD1 4.21Å; V846-L927 HydrophobicContact CG2-CD1 3.94Å
847	I	79.9	Confident	79.9	Confident	51 Å²	51	71 Å²	71	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-59.1	-48.3	174.1	-69.6	-74.7	0	0	0	110.6	F843 H844 Q849 I850 E851 E924	F843-I847 HydrophobicContact CD1-CG1 4.22Å; F843-I847 HydrophobicContact CE1-CD1 4.22Å; F843-I847 HydrophobicContact CE1-CG1 3.85Å; F843-I847 HydrophobicContact CZ-CD1 3.97Å; F843-I847 HydrophobicContact CZ-CG1 4.01Å; F843-I847 VanDerWaalsContact O-CG1 3.3Å; F843-I847 WeakPolarHBondContact O-CG1 3.43Å; F843-I847 PolarHBondContact O-N 2.98Å; H844-I847 PolarHBondContact O-N 2.83Å; I847-Q849 VanDerWaalsContact C-N 3.26Å; I847-Q849 PolarHBondContact O-N 2.72Å; I847-I850 PolarHBondContact O-N 2.96Å; I847-I850 VanDerWaalsContact O-N 3.07Å; I847-E851 PolarHBondContact O-N 2.73Å; I847-E924 HydrophobicContact CD1-CG 3.69Å
848	D	76.6	Confident	80.7	Confident	59 Å²	59	70.4 Å²	70.4	32%	0.316	34%	0.338	S	S	.	.	H	α-helix	trans	-59.7	-36.2	176.4	-81.5	-1.3	0	0	0	111.5	H844 R852	H844-D848 WeakPolarHBondContact O-CB 3.45Å; H844-D848 PolarHBondContact O-N 2.95Å; D848-R852 WeakPolarHBondContact O-CB 3.48Å; D848-R852 VanDerWaalsContact O-CG 3.24Å; D848-R852 WeakPolarHBondContact O-CG 3.31Å; D848-R852 PolarHBondContact O-N 3.41Å; D848-R852 PolarHBondContact O-NE 2.95Å
849	Q	83.6	Confident	81.6	Confident	92 Å²	92	66 Å²	66	43%	0.43	32%	0.32	S	S	.	.	H	α-helix	trans	-66.5	-42.8	173.6	179.9	173.9	-39.8	0	0	111.9	E845 V846 I847 R852 M853 D920	E845-Q849 PolarHBondContact O-N 2.72Å; V846-Q849 WeakPolarHBondContact O-CB 3.3Å; V846-Q849 PolarHBondContact O-N 3.42Å; I847-Q849 VanDerWaalsContact C-N 3.26Å; I847-Q849 PolarHBondContact O-N 2.72Å; Q849-R852 PolarHBondContact O-N 3.39Å; Q849-M853 HydrophobicContact CG-SD 4.11Å; Q849-M853 WeakPolarHBondContact O-CG 3.07Å; Q849-M853 PolarHBondContact O-N 2.68Å; Q849-D920 PolarHBondContact NE2-OD2 3.05Å
850	I	84.2	Confident	82.6	Confident	15 Å²	15	63.1 Å²	63.1	8%	0.077	31%	0.308	C	S	.	.	H	α-helix	trans	-69.6	-43.8	-178	-71.5	169.5	0	0	0	111.9	V846 I847 R852 M853 E854 L921 E924	V846-I850 HydrophobicContact CG1-CD1 3.88Å; V846-I850 WeakPolarHBondContact O-CG1 3.45Å; V846-I850 PolarHBondContact O-N 2.87Å; I847-I850 PolarHBondContact O-N 2.96Å; I847-I850 VanDerWaalsContact O-N 3.07Å; I850-R852 VanDerWaalsContact C-N 3.29Å; I850-R852 PolarHBondContact O-N 2.91Å; I850-M853 PolarHBondContact O-N 2.78Å; I850-E854 PolarHBondContact O-N 3.3Å; I850-L921 HydrophobicContact CG2-CD2 3.65Å; I850-L921 HydrophobicContact CG2-CG 4.41Å; I850-E924 HydrophobicContact CD1-CB 3.44Å; I850-E924 VanDerWaalsContact CD1-CB 3.44Å; I850-E924 HydrophobicContact CD1-CG 4.08Å
851	E	81.4	Confident	83.4	Confident	92 Å²	92	66.3 Å²	66.3	43%	0.43	32%	0.32	S	S	.	.	H	α-helix	trans	-63.3	-35.5	174.9	-71.1	-160.6	157.3	0	0	111.1	R646 I847 E854 E855	R646-E851 IonicContact NH2-OE1 3.58Å; R646-E851 PolarHBondContact NH2-OE1 2.91Å; R646-E851 VanDerWaalsContact NH2-OE1 3.14Å; I847-E851 PolarHBondContact O-N 2.73Å; E851-E854 PolarHBondContact O-N 2.83Å; E851-E855 PolarHBondContact O-N 3.15Å; E851-E855 VanDerWaalsContact O-N 3.14Å
852	R	82.8	Confident	84.3	Confident	133 Å²	133	70.8 Å²	70.8	50%	0.502	34%	0.338	S	S	.	.	H	α-helix	trans	-64.9	-42.7	172.7	-78.5	177.1	-71.5	-164.5	-1.5	112.6	D848 Q849 I850 E855 E856	D848-R852 WeakPolarHBondContact O-CB 3.48Å; D848-R852 VanDerWaalsContact O-CG 3.24Å; D848-R852 WeakPolarHBondContact O-CG 3.31Å; D848-R852 PolarHBondContact O-N 3.41Å; D848-R852 PolarHBondContact O-NE 2.95Å; Q849-R852 PolarHBondContact O-N 3.39Å; I850-R852 VanDerWaalsContact C-N 3.29Å; I850-R852 PolarHBondContact O-N 2.91Å; R852-E855 PolarHBondContact O-N 3.15Å; R852-E856 PolarHBondContact O-N 2.69Å; R852-E856 VanDerWaalsContact O-N 3.12Å
853	M	85.9	Confident	84.9	Confident	25 Å²	25	68.7 Å²	68.7	12%	0.123	34%	0.337	C	S	.	.	H	α-helix	trans	-69.5	-31.8	176.9	-72.4	178.3	70.3	0	0	112.7	Q849 I850 E856 I857 L916 W917	Q849-M853 HydrophobicContact CG-SD 4.11Å; Q849-M853 WeakPolarHBondContact O-CG 3.07Å; Q849-M853 PolarHBondContact O-N 2.68Å; I850-M853 PolarHBondContact O-N 2.78Å; M853-E856 PolarHBondContact O-N 2.95Å; M853-I857 WeakPolarHBondContact O-CB 3.16Å; M853-I857 WeakPolarHBondContact O-CG1 3.27Å; M853-I857 PolarHBondContact O-N 3.28Å; M853-L916 HydrophobicContact CE-CB 4.23Å; M853-L916 HydrophobicContact CE-CD2 3.89Å; M853-L916 HydrophobicContact CE-CG 3.88Å; M853-W917 HydrophobicContact CB-CG 4.44Å; M853-W917 HydrophobicContact CE-CB 3.93Å
854	E	87	Confident	85.5	Confident	94 Å²	94	67.6 Å²	67.6	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-63.9	-48.8	172.5	-175.2	178.2	180	0	0	111.4	I850 E851 E856 I857 C858 W917	I850-E854 PolarHBondContact O-N 3.3Å; E851-E854 PolarHBondContact O-N 2.83Å; E854-E856 VanDerWaalsContact C-N 3.32Å; E854-E856 PolarHBondContact O-N 3.19Å; E854-I857 PolarHBondContact O-N 3.11Å; E854-C858 VanDerWaalsContact O-CB 3.29Å; E854-C858 WeakPolarHBondContact O-CB 3.46Å; E854-C858 PolarHBondContact O-N 3.43Å; E854-C858 PolarHBondContact O-SG 3.17Å; E854-W917 HydrophobicContact CB-CZ2 3.7Å; E854-W917 HydrophobicContact CG-CH2 4.14Å; E854-W917 HydrophobicContact CG-CZ2 3.71Å
855	E	85.8	Confident	86	Confident	94 Å²	94	66.3 Å²	66.3	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-60.2	-41.5	175.5	-83.9	-157	-137	0	0	111.8	K545 K555 E851 R852 C858 D859	K545-E855 IonicContact NZ-OE1 3.31Å; K545-E855 PolarHBondContact NZ-OE1 2.69Å; K545-E855 IonicContact NZ-OE2 2.81Å; K545-E855 PolarHBondContact NZ-OE2 3.34Å; K555-E855 IonicContact NZ-OE2 3.37Å; E851-E855 PolarHBondContact O-N 3.15Å; E851-E855 VanDerWaalsContact O-N 3.14Å; R852-E855 PolarHBondContact O-N 3.15Å; E855-C858 PolarHBondContact O-N 3.48Å; E855-D859 PolarHBondContact O-N 2.53Å
856	E	89.6	Confident	86.5	Confident	98 Å²	98	68.8 Å²	68.8	46%	0.458	34%	0.344	S	S	.	.	H	α-helix	trans	-64.3	-48.3	179.1	-171.7	178.6	174.1	0	0	112.3	R852 M853 E854 C858 D859 D860 K913	R852-E856 PolarHBondContact O-N 2.69Å; R852-E856 VanDerWaalsContact O-N 3.12Å; M853-E856 PolarHBondContact O-N 2.95Å; E854-E856 VanDerWaalsContact C-N 3.32Å; E854-E856 PolarHBondContact O-N 3.19Å; E856-C858 VanDerWaalsContact C-N 3.31Å; E856-C858 PolarHBondContact O-N 3.3Å; E856-D859 PolarHBondContact O-N 2.88Å; E856-D860 WeakPolarHBondContact O-CB 3.49Å; E856-D860 PolarHBondContact O-N 2.9Å; E856-K913 WeakPolarHBondContact OE1-CE 3.23Å; E856-K913 IonicContact OE1-NZ 3.88Å; E856-K913 PolarHBondContact OE1-NZ 3.27Å
857	I	91.4	Very high	87	Confident	13 Å²	13	69.6 Å²	69.6	7%	0.067	35%	0.351	C	S	.	.	H	α-helix	trans	-67.3	-33.4	179.8	-73.7	169	0	0	0	111.4	M853 E854 H861 L910 K913 V914 W917	M853-I857 WeakPolarHBondContact O-CB 3.16Å; M853-I857 WeakPolarHBondContact O-CG1 3.27Å; M853-I857 PolarHBondContact O-N 3.28Å; E854-I857 PolarHBondContact O-N 3.11Å; I857-H861 WeakPolarHBondContact O-CB 3.42Å; I857-H861 PolarHBondContact O-N 2.81Å; I857-L910 HydrophobicContact CG2-CD1 4.36Å; I857-K913 HydrophobicContact CD1-CB 4.29Å; I857-K913 HydrophobicContact CG1-CB 4.13Å; I857-V914 HydrophobicContact CD1-CG2 4.4Å; I857-V914 HydrophobicContact CG2-CG2 3.79Å; I857-W917 HydrophobicContact CD1-CB 3.37Å; I857-W917 HydrophobicContact CD1-CD2 3.85Å; I857-W917 HydrophobicContact CD1-CE3 3.87Å; I857-W917 HydrophobicContact CD1-CG 3.69Å; I857-W917 HydrophobicContact CG2-CE3 4.36Å; I857-W917 HydrophobicContact CG2-CZ3 4.45Å
858	C	86.8	Confident	87.5	Confident	65 Å²	65	71.9 Å²	71.9	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-70.1	-44.5	175.2	-70.9	0	0	0	0	112.7	E854 E855 E856 K862	E854-C858 VanDerWaalsContact O-CB 3.29Å; E854-C858 WeakPolarHBondContact O-CB 3.46Å; E854-C858 PolarHBondContact O-N 3.43Å; E854-C858 PolarHBondContact O-SG 3.17Å; E855-C858 PolarHBondContact O-N 3.48Å; E856-C858 VanDerWaalsContact C-N 3.31Å; E856-C858 PolarHBondContact O-N 3.3Å; C858-K862 WeakPolarHBondContact O-CB 3.46Å; C858-K862 PolarHBondContact O-N 3.47Å
859	D	89.6	Confident	88	Confident	73 Å²	73	72.3 Å²	72.3	39%	0.39	37%	0.369	S	S	.	.	H	α-helix	trans	-68.3	-35.3	176	-90.3	-20	0	0	0	111	K555 E855 E856 A863	K555-D859 IonicContact NZ-OD2 3.16Å; K555-D859 PolarHBondContact NZ-OD2 3.1Å; E855-D859 PolarHBondContact O-N 2.53Å; E856-D859 PolarHBondContact O-N 2.88Å; D859-A863 PolarHBondContact O-N 2.89Å
860	D	89.7	Confident	88.3	Confident	48 Å²	48	71.9 Å²	71.9	26%	0.257	37%	0.37	S	S	.	.	H	α-helix	trans	-66.5	-49.3	172.6	-92.1	0.1	0	0	0	112.8	E856 K862 A863 V864 L910 K913	E856-D860 WeakPolarHBondContact O-CB 3.49Å; E856-D860 PolarHBondContact O-N 2.9Å; D860-K862 PolarHBondContact O-N 2.83Å; D860-A863 CarbonylContact O-C 3.46Å; D860-A863 WeakPolarHBondContact O-CA 3.44Å; D860-A863 WeakPolarHBondContact O-CB 3.26Å; D860-A863 PolarHBondContact O-N 2.78Å; D860-V864 PolarHBondContact O-N 2.96Å; D860-L910 HydrophobicContact CB-CD1 4.08Å; D860-K913 IonicContact OD1-NZ 3.64Å; D860-K913 WeakPolarHBondContact OD2-CD 3.43Å; D860-K913 WeakPolarHBondContact OD2-CE 3.47Å; D860-K913 IonicContact OD2-NZ 2.75Å; D860-K913 PolarHBondContact OD2-NZ 3.33Å
861	H	93.2	Very high	88.7	Confident	110 Å²	110	71.8 Å²	71.8	51%	0.509	37%	0.368	S	S	.	.	H	α-helix	trans	-58.6	-40.3	176.9	175.8	-153.4	0	0	0	110.9	I857 A863 V864 C865 L910	I857-H861 WeakPolarHBondContact O-CB 3.42Å; I857-H861 PolarHBondContact O-N 2.81Å; H861-A863 PolarHBondContact O-N 2.88Å; H861-V864 WeakPolarHBondContact O-CB 3.3Å; H861-V864 PolarHBondContact O-N 2.94Å; H861-C865 PolarHBondContact O-N 2.82Å; H861-C865 PolarHBondContact O-SG 3.44Å; H861-L910 HydrophobicContact CB-CD1 4.5Å; H861-L910 HydrophobicContact CB-CD2 4.16Å
862	K	89.5	Confident	89.2	Confident	120 Å²	120	71.6 Å²	71.6	52%	0.522	37%	0.374	S	S	.	.	H	α-helix	trans	-62.3	-40.2	172.5	-176.3	177.6	178.5	-177.5	0	112.1	C858 D860 V864 C865 H866	C858-K862 WeakPolarHBondContact O-CB 3.46Å; C858-K862 PolarHBondContact O-N 3.47Å; D860-K862 PolarHBondContact O-N 2.83Å; K862-V864 VanDerWaalsContact C-N 3.35Å; K862-C865 PolarHBondContact O-N 2.98Å; K862-H866 PolarHBondContact O-N 2.87Å; K862-H866 PolarHBondContact O-ND1 3.04Å
863	A	89.7	Confident	89.6	Confident	50 Å²	50	71.3 Å²	71.3	41%	0.413	38%	0.376	S	S	.	.	H	α-helix	trans	-64.8	-36.1	174.4	0	0	0	0	0	112.5	D859 D860 H861 H866 S867	D859-A863 PolarHBondContact O-N 2.89Å; D860-A863 CarbonylContact O-C 3.46Å; D860-A863 WeakPolarHBondContact O-CA 3.44Å; D860-A863 WeakPolarHBondContact O-CB 3.26Å; D860-A863 PolarHBondContact O-N 2.78Å; H861-A863 PolarHBondContact O-N 2.88Å; A863-H866 PolarHBondContact O-N 3.36Å; A863-S867 WeakPolarHBondContact O-CB 3.3Å; A863-S867 PolarHBondContact O-N 3.43Å; A863-S867 PolarHBondContact O-OG 2.97Å
864	V	92.3	Very high	89.8	Confident	14 Å²	14	73.4 Å²	73.4	9%	0.085	39%	0.386	C	S	.	.	H	α-helix	trans	-62.9	-45.2	172.2	175.4	0	0	0	0	111.3	D860 H861 K862 H866 S867 M868 V906 L907 L910	D860-V864 PolarHBondContact O-N 2.96Å; H861-V864 WeakPolarHBondContact O-CB 3.3Å; H861-V864 PolarHBondContact O-N 2.94Å; K862-V864 VanDerWaalsContact C-N 3.35Å; V864-H866 VanDerWaalsContact C-N 3.31Å; V864-H866 PolarHBondContact O-N 2.83Å; V864-S867 PolarHBondContact O-N 2.85Å; V864-M868 WeakPolarHBondContact O-CB 3.41Å; V864-M868 PolarHBondContact O-N 3.25Å; V864-V906 HydrophobicContact CG2-CG1 3.73Å; V864-L907 HydrophobicContact CG1-CD2 3.84Å; V864-L910 HydrophobicContact CB-CD2 4.34Å; V864-L910 HydrophobicContact CG2-CD2 3.77Å
865	C	89.5	Confident	90.1	Very high	53 Å²	53	71.3 Å²	71.3	36%	0.358	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-36.1	178.2	-69.3	0	0	0	0	113.4	H861 K862 S869	H861-C865 PolarHBondContact O-N 2.82Å; H861-C865 PolarHBondContact O-SG 3.44Å; K862-C865 PolarHBondContact O-N 2.98Å; C865-S869 PolarHBondContact O-N 2.81Å; C865-S869 PolarHBondContact O-OG 3.02Å
866	H	87.7	Confident	90.4	Very high	121 Å²	121	73.2 Å²	73.2	56%	0.56	38%	0.38	S	S	*	.	H	α-helix	trans	-69.2	-48.2	171.9	-69.7	75.4	0	0	0	110.9	K862 A863 V864 M868 S869 D870	K862-H866 PolarHBondContact O-N 2.87Å; K862-H866 PolarHBondContact O-ND1 3.04Å; A863-H866 PolarHBondContact O-N 3.36Å; V864-H866 VanDerWaalsContact C-N 3.31Å; V864-H866 PolarHBondContact O-N 2.83Å; H866-M868 VanDerWaalsContact C-N 3.27Å; H866-M868 PolarHBondContact O-N 2.92Å; H866-S869 VanDerWaalsContact O-CB 3.28Å; H866-S869 WeakPolarHBondContact O-CB 3.26Å; H866-S869 PolarHBondContact O-N 3.18Å; H866-D870 PolarHBondContact O-N 3.37Å
867	S	89.9	Confident	90.4	Very high	41 Å²	41	71.6 Å²	71.6	29%	0.287	38%	0.379	S	S	.	.	H	α-helix	trans	-57.4	-39.1	179	-56.8	0	0	0	0	112.5	A863 V864 S869 D870 W871	A863-S867 WeakPolarHBondContact O-CB 3.3Å; A863-S867 PolarHBondContact O-N 3.43Å; A863-S867 PolarHBondContact O-OG 2.97Å; V864-S867 PolarHBondContact O-N 2.85Å; S867-S869 VanDerWaalsContact C-N 3.27Å; S867-S869 PolarHBondContact O-N 2.86Å; S867-D870 PolarHBondContact O-N 2.66Å; S867-D870 VanDerWaalsContact O-N 3.14Å; S867-W871 WeakPolarHBondContact O-CB 3.22Å; S867-W871 PolarHBondContact O-N 3.21Å
868	M	91.7	Very high	90.4	Very high	100 Å²	100	71.4 Å²	71.4	49%	0.493	38%	0.378	S	S	.	.	H	α-helix	trans	-63.1	-31.8	176.4	-175.5	162.9	59.8	0	0	112.9	V864 H866 W871 T872	V864-M868 WeakPolarHBondContact O-CB 3.41Å; V864-M868 PolarHBondContact O-N 3.25Å; H866-M868 VanDerWaalsContact C-N 3.27Å; H866-M868 PolarHBondContact O-N 2.92Å; M868-W871 HydrophobicContact CB-CE3 4.14Å; M868-T872 WeakPolarHBondContact O-CB 3.32Å; M868-T872 PolarHBondContact O-N 2.9Å; M868-T872 VanDerWaalsContact O-N 3.08Å; M868-T872 PolarHBondContact O-OG1 3.15Å
869	S	87.2	Confident	90.5	Very high	68 Å²	68	74.8 Å²	74.8	48%	0.476	38%	0.383	S	S	.	.	H	α-helix	trans	-69.2	-33.7	174.6	-57.1	0	0	0	0	112.2	C865 H866 S867 K873	C865-S869 PolarHBondContact O-N 2.81Å; C865-S869 PolarHBondContact O-OG 3.02Å; H866-S869 VanDerWaalsContact O-CB 3.28Å; H866-S869 WeakPolarHBondContact O-CB 3.26Å; H866-S869 PolarHBondContact O-N 3.18Å; S867-S869 VanDerWaalsContact C-N 3.27Å; S867-S869 PolarHBondContact O-N 2.86Å; S869-K873 WeakPolarHBondContact O-CE 3.4Å; S869-K873 WeakPolarHBondContact O-CG 3.4Å
870	D	88.6	Confident	90.5	Very high	82 Å²	82	76.8 Å²	76.8	44%	0.439	39%	0.388	S	S	.	.	H	α-helix	trans	-82.7	-40.7	176.6	-69.5	-35.9	0	0	0	112.4	H866 S867 T872 K873 E874	H866-D870 PolarHBondContact O-N 3.37Å; S867-D870 PolarHBondContact O-N 2.66Å; S867-D870 VanDerWaalsContact O-N 3.14Å; D870-T872 PolarHBondContact O-N 3.05Å; D870-K873 WeakPolarHBondContact O-CA 3.34Å; D870-K873 WeakPolarHBondContact O-CB 3.2Å; D870-K873 PolarHBondContact O-N 3.01Å; D870-K873 IonicContact OD1-NZ 2.69Å; D870-K873 PolarHBondContact OD1-NZ 2.9Å; D870-E874 PolarHBondContact O-N 2.92Å
871	W	94	Very high	90.3	Very high	13 Å²	13	76.5 Å²	76.5	5%	0.049	39%	0.386	C	S	.	.	H	α-helix	trans	-56.6	-37.2	171.9	-64.2	-28.2	0	0	0	112.3	S867 M868 K873 E874 H875 Q903 V906	S867-W871 WeakPolarHBondContact O-CB 3.22Å; S867-W871 PolarHBondContact O-N 3.21Å; M868-W871 HydrophobicContact CB-CE3 4.14Å; W871-K873 VanDerWaalsContact C-N 3.27Å; W871-K873 PolarHBondContact O-N 3.02Å; W871-E874 PolarHBondContact O-N 3.29Å; W871-H875 WeakPolarHBondContact O-CB 3.31Å; W871-H875 PolarHBondContact O-CD2 3.37Å; W871-H875 VanDerWaalsContact O-CD2 3.26Å; W871-H875 PolarHBondContact O-N 2.94Å; W871-Q903 HydrophobicContact CD2-CG 3.57Å; W871-Q903 HydrophobicContact CE3-CG 3.64Å; W871-Q903 HydrophobicContact CG-CG 4.05Å; W871-Q903 HydrophobicContact CH2-CG 4.22Å; W871-Q903 HydrophobicContact CZ2-CG 4.15Å; W871-Q903 HydrophobicContact CZ3-CG 3.98Å; W871-V906 HydrophobicContact CH2-CB 4.01Å; W871-V906 HydrophobicContact CH2-CG1 3.95Å; W871-V906 HydrophobicContact CZ2-CB 4.24Å; W871-V906 HydrophobicContact CZ2-CG1 4.41Å; W871-V906 HydrophobicContact CZ2-CG2 4.25Å
872	T	91.9	Very high	89.9	Confident	88 Å²	88	72.8 Å²	72.8	54%	0.54	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-36.4	175.5	-58.1	0	0	0	0	111.4	M868 D870 Y876	M868-T872 WeakPolarHBondContact O-CB 3.32Å; M868-T872 PolarHBondContact O-N 2.9Å; M868-T872 VanDerWaalsContact O-N 3.08Å; M868-T872 PolarHBondContact O-OG1 3.15Å; D870-T872 PolarHBondContact O-N 3.05Å; T872-Y876 VanDerWaalsContact O-CB 3.23Å; T872-Y876 WeakPolarHBondContact O-CB 3.4Å; T872-Y876 PolarHBondContact O-N 3.04Å
873	K	90.8	Very high	89.7	Confident	128 Å²	128	72.1 Å²	72.1	56%	0.557	37%	0.374	S	S	*	.	H	α-helix	trans	-71.6	-42.7	174.6	-56.6	163.5	-163.8	164.3	0	111.4	S869 D870 W871 Y876 S877	S869-K873 WeakPolarHBondContact O-CE 3.4Å; S869-K873 WeakPolarHBondContact O-CG 3.4Å; D870-K873 WeakPolarHBondContact O-CA 3.34Å; D870-K873 WeakPolarHBondContact O-CB 3.2Å; D870-K873 PolarHBondContact O-N 3.01Å; D870-K873 IonicContact OD1-NZ 2.69Å; D870-K873 PolarHBondContact OD1-NZ 2.9Å; W871-K873 VanDerWaalsContact C-N 3.27Å; W871-K873 PolarHBondContact O-N 3.02Å; K873-Y876 PolarHBondContact O-N 3.16Å; K873-S877 WeakPolarHBondContact O-CB 3.12Å; K873-S877 PolarHBondContact O-N 3.15Å
874	E	90.2	Very high	89.2	Confident	69 Å²	69	75.2 Å²	75.2	32%	0.322	38%	0.381	S	S	.	.	H	α-helix	trans	-60.6	-48.6	177.1	-66.9	-176.5	-85.7	0	0	110.9	D870 W871 S877 L878 L899 K902	D870-E874 PolarHBondContact O-N 2.92Å; W871-E874 PolarHBondContact O-N 3.29Å; E874-S877 WeakPolarHBondContact O-CB 3.48Å; E874-S877 PolarHBondContact O-N 3.44Å; E874-L878 PolarHBondContact O-N 3.38Å; E874-L878 VanDerWaalsContact O-N 3.08Å; E874-L899 HydrophobicContact CB-CD1 3.74Å; E874-L899 HydrophobicContact CB-CD2 3.81Å; E874-L899 HydrophobicContact CB-CG 4.45Å; E874-L899 HydrophobicContact CG-CD2 4.27Å; E874-L899 WeakPolarHBondContact OE2-CD2 3.31Å; E874-K902 VanDerWaalsContact CD-NZ 3.33Å; E874-K902 IonicContact OE1-NZ 3.98Å; E874-K902 PolarHBondContact OE1-NZ 2.91Å; E874-K902 IonicContact OE2-NZ 2.65Å; E874-K902 PolarHBondContact OE2-NZ 2.89Å; E874-K902 VanDerWaalsContact OE2-NZ 3.16Å
875	H	93.8	Very high	88.1	Confident	50 Å²	50	81.6 Å²	81.6	23%	0.231	42%	0.419	C	S	.	.	H	α-helix	trans	-61.9	-44.1	175.3	-81.7	-64.6	0	0	0	112.8	W871 S877 L878 Y879 Q903	W871-H875 WeakPolarHBondContact O-CB 3.31Å; W871-H875 PolarHBondContact O-CD2 3.37Å; W871-H875 VanDerWaalsContact O-CD2 3.26Å; W871-H875 PolarHBondContact O-N 2.94Å; H875-S877 VanDerWaalsContact C-N 3.26Å; H875-S877 PolarHBondContact O-N 2.91Å; H875-L878 PolarHBondContact O-N 2.97Å; H875-Y879 PolarHBondContact O-N 3.41Å; H875-Q903 PolarHBondContact NE2-NE2 3.19Å; H875-Q903 PolarHBondContact NE2-OE1 2.89Å; H875-Q903 VanDerWaalsContact NE2-OE1 3.15Å
876	Y	91.7	Very high	87.4	Confident	134 Å²	134	88 Å²	88	53%	0.525	44%	0.444	S	S	.	.	H	α-helix	trans	-65	-29.8	176.3	-177.7	-114.3	0	0	0	112.9	T872 K873 Y879 K880	T872-Y876 VanDerWaalsContact O-CB 3.23Å; T872-Y876 WeakPolarHBondContact O-CB 3.4Å; T872-Y876 PolarHBondContact O-N 3.04Å; K873-Y876 PolarHBondContact O-N 3.16Å; Y876-Y879 HydrophobicContact CD2-CD1 4.39Å; Y876-K880 HydrophobicContact CE1-CD 4.15Å; Y876-K880 VanDerWaalsContact CE1-CE 3.44Å; Y876-K880 VanDerWaalsContact CZ-CE 3.45Å; Y876-K880 PolarHBondContact O-N 3.11Å; Y876-K880 VanDerWaalsContact O-N 3.1Å; Y876-K880 VanDerWaalsContact OH-CE 3.26Å; Y876-K880 WeakPolarHBondContact OH-CE 3.46Å
877	S	90	Very high	87.2	Confident	64 Å²	64	85.3 Å²	85.3	45%	0.448	43%	0.431	S	S	.	.	H	α-helix	trans	-69	-45.5	173.3	-163.5	0	0	0	0	111.8	K873 E874 H875 Y879 K880 I881	K873-S877 WeakPolarHBondContact O-CB 3.12Å; K873-S877 PolarHBondContact O-N 3.15Å; E874-S877 WeakPolarHBondContact O-CB 3.48Å; E874-S877 PolarHBondContact O-N 3.44Å; H875-S877 VanDerWaalsContact C-N 3.26Å; H875-S877 PolarHBondContact O-N 2.91Å; S877-Y879 PolarHBondContact O-N 3.14Å; S877-K880 WeakPolarHBondContact O-CB 3.36Å; S877-K880 PolarHBondContact O-N 3.33Å; S877-I881 PolarHBondContact O-N 3.1Å; S877-I881 VanDerWaalsContact O-N 3.16Å
878	L	89.7	Confident	86.9	Confident	8 Å²	8	87.8 Å²	87.8	4%	0.042	44%	0.44	C	S	.	.	H	α-helix	trans	-61.2	-44.2	173.4	-66.5	-177.1	0	0	0	111.6	E874 H875 K880 I881 S882 Y892 R895 L896 L899	E874-L878 PolarHBondContact O-N 3.38Å; E874-L878 VanDerWaalsContact O-N 3.08Å; H875-L878 PolarHBondContact O-N 2.97Å; L878-K880 PolarHBondContact O-N 2.81Å; L878-I881 HydrophobicContact CD2-CD1 4.37Å; L878-I881 WeakPolarHBondContact O-CA 3.27Å; L878-I881 WeakPolarHBondContact O-CB 3.44Å; L878-I881 PolarHBondContact O-N 3.39Å; L878-S882 PolarHBondContact O-N 2.89Å; L878-S882 VanDerWaalsContact O-N 3.1Å; L878-S882 PolarHBondContact O-OG 2.86Å; L878-Y892 HydrophobicContact CB-CD2 4.36Å; L878-Y892 HydrophobicContact CB-CE2 4.04Å; L878-Y892 WeakPolarHBondContact O-CE2 3.47Å; L878-R895 HydrophobicContact CD1-CB 4.1Å; L878-R895 HydrophobicContact CD2-CB 3.78Å; L878-L896 HydrophobicContact CD1-CB 4.17Å; L878-L899 HydrophobicContact CD1-CD1 3.61Å; L878-L899 HydrophobicContact CD1-CG 4.44Å; L878-L899 HydrophobicContact CG-CD1 4.4Å
879	Y	89.9	Confident	86.8	Confident	136 Å²	136	87.5 Å²	87.5	53%	0.533	44%	0.444	S	S	.	.	H	α-helix	trans	-58.4	-34.6	175.4	176.3	-107.2	0	0	0	113	H875 Y876 S877 S882 N883	H875-Y879 PolarHBondContact O-N 3.41Å; Y876-Y879 HydrophobicContact CD2-CD1 4.39Å; S877-Y879 PolarHBondContact O-N 3.14Å; Y879-S882 WeakPolarHBondContact CA-OG 3.48Å; Y879-S882 PolarHBondContact O-OG 3.34Å; Y879-N883 PolarHBondContact O-ND2 3.05Å
880	K	88.7	Confident	86.9	Confident	115 Å²	115	91.8 Å²	91.8	50%	0.5	46%	0.457	S	S	.	.	H	α-helix	trans	-68.4	-32.6	172.2	-82.5	-176.1	170.1	179.4	0	113.3	Y876 S877 L878 N883	Y876-K880 HydrophobicContact CE1-CD 4.15Å; Y876-K880 VanDerWaalsContact CE1-CE 3.44Å; Y876-K880 VanDerWaalsContact CZ-CE 3.45Å; Y876-K880 PolarHBondContact O-N 3.11Å; Y876-K880 VanDerWaalsContact O-N 3.1Å; Y876-K880 VanDerWaalsContact OH-CE 3.26Å; Y876-K880 WeakPolarHBondContact OH-CE 3.46Å; S877-K880 WeakPolarHBondContact O-CB 3.36Å; S877-K880 PolarHBondContact O-N 3.33Å; L878-K880 PolarHBondContact O-N 2.81Å; K880-N883 PolarHBondContact O-N 3.02Å
881	I	85.7	Confident	86.8	Confident	43 Å²	43	92.3 Å²	92.3	22%	0.221	46%	0.456	C	S	.	.	H	α-helix	trans	-68.3	-43	176.4	-67.4	166.7	0	0	0	110.4	S877 L878 N883 Q884 F887	S877-I881 PolarHBondContact O-N 3.1Å; S877-I881 VanDerWaalsContact O-N 3.16Å; L878-I881 HydrophobicContact CD2-CD1 4.37Å; L878-I881 WeakPolarHBondContact O-CA 3.27Å; L878-I881 WeakPolarHBondContact O-CB 3.44Å; L878-I881 PolarHBondContact O-N 3.39Å; I881-N883 PolarHBondContact O-N 2.94Å; I881-Q884 WeakPolarHBondContact O-CB 3.37Å; I881-Q884 WeakPolarHBondContact O-CG 3.3Å; I881-Q884 PolarHBondContact O-N 2.79Å; I881-F887 HydrophobicContact CG2-CB 3.93Å; I881-F887 HydrophobicContact CG2-CD2 4.37Å; I881-F887 HydrophobicContact CG2-CG 4.49Å; I881-F887 WeakPolarHBondContact O-CB 3.15Å
882	S	85.6	Confident	86.7	Confident	31 Å²	31	94.5 Å²	94.5	22%	0.217	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-3.8	177	51.4	0	0	0	0	115.5	L878 Y879	L878-S882 PolarHBondContact O-N 2.89Å; L878-S882 VanDerWaalsContact O-N 3.1Å; L878-S882 PolarHBondContact O-OG 2.86Å; Y879-S882 WeakPolarHBondContact CA-OG 3.48Å; Y879-S882 PolarHBondContact O-OG 3.34Å
883	N	84.3	Confident	86.8	Confident	106 Å²	106	93.2 Å²	93.2	57%	0.567	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	3.5	172.9	-74.6	-62.9	0	0	0	113.3	Y879 K880 I881	Y879-N883 PolarHBondContact O-ND2 3.05Å; K880-N883 PolarHBondContact O-N 3.02Å; I881-N883 PolarHBondContact O-N 2.94Å
884	Q	79.7	Confident	86.8	Confident	116 Å²	116	89.7 Å²	89.7	54%	0.542	46%	0.455	S	S	.	.	S	Bend	trans	-88.1	150.3	174.2	-57.2	179.7	22.4	0	0	110.3	I881 E886 F887	I881-Q884 WeakPolarHBondContact O-CB 3.37Å; I881-Q884 WeakPolarHBondContact O-CG 3.3Å; I881-Q884 PolarHBondContact O-N 2.79Å; Q884-E886 VanDerWaalsContact C-N 3.35Å; Q884-E886 PolarHBondContact O-N 2.79Å; Q884-F887 HydrophobicContact CB-CB 4.35Å; Q884-F887 WeakPolarHBondContact O-CD1 3.47Å
885	V	69.6	Low	86.9	Confident	148 Å²	148	92.1 Å²	92.1	90%	0.897	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-30.6	-175.2	-178.2	0	0	0	0	112.4
886	E	75.8	Confident	86.9	Confident	187 Å²	187	92 Å²	92	87%	0.874	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	54.7	-175.4	-61.1	-177.6	160.5	0	0	110.4	Q884	Q884-E886 VanDerWaalsContact C-N 3.35Å; Q884-E886 PolarHBondContact O-N 2.79Å
887	F	82.1	Confident	87	Confident	65 Å²	65	92.7 Å²	92.7	29%	0.285	47%	0.47	S	S	.	.			trans	-87.1	144.7	176.9	83.5	-88	0	0	0	112.5	I881 Q884 V889 Y892	I881-F887 HydrophobicContact CG2-CB 3.93Å; I881-F887 HydrophobicContact CG2-CD2 4.37Å; I881-F887 HydrophobicContact CG2-CG 4.49Å; I881-F887 WeakPolarHBondContact O-CB 3.15Å; Q884-F887 HydrophobicContact CB-CB 4.35Å; Q884-F887 WeakPolarHBondContact O-CD1 3.47Å; F887-V889 HydrophobicContact CD2-CG2 4.46Å; F887-V889 HydrophobicContact CE2-CG2 3.98Å; F887-V889 HydrophobicContact CZ-CG2 4.12Å; F887-V889 PolarHBondContact O-N 2.82Å; F887-Y892 HydrophobicContact CD2-CG 4.39Å; F887-Y892 HydrophobicContact CE2-CD1 4.33Å; F887-Y892 HydrophobicContact CE2-CD2 4.29Å; F887-Y892 AromaticContact CE2-CG 3.91Å; F887-Y892 HydrophobicContact CE2-CG 3.91Å
888	D	85.1	Confident	87.3	Confident	92 Å²	92	97.4 Å²	97.4	49%	0.492	48%	0.479	S	S	.	.			trans	-74	111.7	174.3	-168.9	-38.4	0	0	0	110.2	E890 E891 Y892	D888-E890 WeakPolarHBondContact OD1-CA 3.41Å; D888-E890 WeakPolarHBondContact OD1-CB 3.43Å; D888-E890 PolarHBondContact OD1-N 3.23Å; D888-E891 HydrophobicContact CB-CB 3.83Å; D888-E891 PolarHBondContact OD1-N 2.94Å; D888-Y892 VanDerWaalsContact O-CB 3.25Å; D888-Y892 WeakPolarHBondContact O-CB 3.49Å; D888-Y892 PolarHBondContact O-N 2.71Å
889	V	88.3	Confident	87.4	Confident	95 Å²	95	97.3 Å²	97.3	58%	0.576	48%	0.478	S	S	*	.	H	α-helix	trans	-71.4	-32.6	-179.2	-178.5	0	0	0	0	111.6	F887 S893	F887-V889 HydrophobicContact CD2-CG2 4.46Å; F887-V889 HydrophobicContact CE2-CG2 3.98Å; F887-V889 HydrophobicContact CZ-CG2 4.12Å; F887-V889 PolarHBondContact O-N 2.82Å; V889-S893 VanDerWaalsContact O-CB 3.3Å; V889-S893 WeakPolarHBondContact O-CB 3.31Å; V889-S893 PolarHBondContact O-N 3.28Å; V889-S893 PolarHBondContact O-OG 3.21Å
890	E	88.6	Confident	87.7	Confident	158 Å²	158	94.5 Å²	94.5	74%	0.738	47%	0.472	S	S	*	.	H	α-helix	trans	-73.5	-46.6	179.7	-165.7	162.7	-174.3	0	0	109.6	D888 Y892 S893 A894	D888-E890 WeakPolarHBondContact OD1-CA 3.41Å; D888-E890 WeakPolarHBondContact OD1-CB 3.43Å; D888-E890 PolarHBondContact OD1-N 3.23Å; E890-Y892 PolarHBondContact O-N 2.97Å; E890-S893 PolarHBondContact O-N 3.27Å; E890-S893 PolarHBondContact O-OG 3.34Å; E890-A894 WeakPolarHBondContact O-CB 3.36Å; E890-A894 PolarHBondContact O-N 3.27Å
891	E	88.3	Confident	87.9	Confident	92 Å²	92	91 Å²	91	43%	0.43	47%	0.468	S	S	.	.	H	α-helix	trans	-59.7	-45.2	172.9	-157.7	-150.4	125.4	0	0	111.9	D888 S893 R895	D888-E891 HydrophobicContact CB-CB 3.83Å; D888-E891 PolarHBondContact OD1-N 2.94Å; E891-S893 PolarHBondContact O-N 3.34Å; E891-R895 HydrophobicContact CG-CG 4.5Å; E891-R895 WeakPolarHBondContact O-CB 3.37Å; E891-R895 VanDerWaalsContact O-CG 3.24Å; E891-R895 WeakPolarHBondContact O-CG 3.43Å; E891-R895 PolarHBondContact O-N 3.25Å; E891-R895 WeakPolarHBondContact OE1-CD 3.46Å; E891-R895 IonicContact OE1-CZ 2.68Å; E891-R895 IonicContact OE1-NE 2.68Å; E891-R895 IonicContact OE1-NH1 3.79Å; E891-R895 PolarHBondContact OE1-NH1 2.86Å
892	Y	91.7	Very high	88.3	Confident	59 Å²	59	92.3 Å²	92.3	23%	0.231	47%	0.473	C	S	.	.	H	α-helix	trans	-57.9	-46.9	175.8	173.8	-89.1	0	0	0	111.6	L878 F887 D888 E890 R895 L896	L878-Y892 HydrophobicContact CB-CD2 4.36Å; L878-Y892 HydrophobicContact CB-CE2 4.04Å; L878-Y892 WeakPolarHBondContact O-CE2 3.47Å; F887-Y892 HydrophobicContact CD2-CG 4.39Å; F887-Y892 HydrophobicContact CE2-CD1 4.33Å; F887-Y892 HydrophobicContact CE2-CD2 4.29Å; F887-Y892 AromaticContact CE2-CG 3.91Å; F887-Y892 HydrophobicContact CE2-CG 3.91Å; D888-Y892 VanDerWaalsContact O-CB 3.25Å; D888-Y892 WeakPolarHBondContact O-CB 3.49Å; D888-Y892 PolarHBondContact O-N 2.71Å; E890-Y892 PolarHBondContact O-N 2.97Å; Y892-R895 PolarHBondContact O-N 3.2Å; Y892-L896 HydrophobicContact CE1-CD2 4.05Å; Y892-L896 WeakPolarHBondContact O-CB 3.28Å; Y892-L896 PolarHBondContact O-N 2.88Å
893	S	92.7	Very high	88.7	Confident	62 Å²	62	92.6 Å²	92.6	43%	0.434	47%	0.471	S	S	.	.	H	α-helix	trans	-64.6	-47	-178.2	73	0	0	0	0	112.2	V889 E890 E891 R895 L896 E897	V889-S893 VanDerWaalsContact O-CB 3.3Å; V889-S893 WeakPolarHBondContact O-CB 3.31Å; V889-S893 PolarHBondContact O-N 3.28Å; V889-S893 PolarHBondContact O-OG 3.21Å; E890-S893 PolarHBondContact O-N 3.27Å; E890-S893 PolarHBondContact O-OG 3.34Å; E891-S893 PolarHBondContact O-N 3.34Å; S893-R895 PolarHBondContact O-N 2.91Å; S893-L896 PolarHBondContact O-N 3.48Å; S893-E897 PolarHBondContact O-N 3.33Å
894	A	92.2	Very high	89.2	Confident	54 Å²	54	93 Å²	93	45%	0.446	47%	0.472	S	S	.	.	H	α-helix	trans	-63.9	-39.1	178.9	0	0	0	0	0	112.2	E890 Y898	E890-A894 WeakPolarHBondContact O-CB 3.36Å; E890-A894 PolarHBondContact O-N 3.27Å; A894-Y898 WeakPolarHBondContact O-CB 3.34Å; A894-Y898 PolarHBondContact O-N 2.98Å
895	R	91.9	Very high	89.8	Confident	119 Å²	119	95.5 Å²	95.5	45%	0.449	48%	0.481	S	S	.	.	H	α-helix	trans	-70.6	-35.5	177	-68.4	176.5	73.9	167	4.9	112	L878 E891 Y892 S893 L899	L878-R895 HydrophobicContact CD1-CB 4.1Å; L878-R895 HydrophobicContact CD2-CB 3.78Å; E891-R895 HydrophobicContact CG-CG 4.5Å; E891-R895 WeakPolarHBondContact O-CB 3.37Å; E891-R895 VanDerWaalsContact O-CG 3.24Å; E891-R895 WeakPolarHBondContact O-CG 3.43Å; E891-R895 PolarHBondContact O-N 3.25Å; E891-R895 WeakPolarHBondContact OE1-CD 3.46Å; E891-R895 IonicContact OE1-CZ 2.68Å; E891-R895 IonicContact OE1-NE 2.68Å; E891-R895 IonicContact OE1-NH1 3.79Å; E891-R895 PolarHBondContact OE1-NH1 2.86Å; Y892-R895 PolarHBondContact O-N 3.2Å; S893-R895 PolarHBondContact O-N 2.91Å; R895-L899 WeakPolarHBondContact O-CG 3.43Å; R895-L899 PolarHBondContact O-N 3.44Å; R895-L899 VanDerWaalsContact O-N 3.13Å
896	L	93.9	Very high	90.9	Very high	48 Å²	48	91 Å²	91	25%	0.251	45%	0.454	S	S	.	.	H	α-helix	trans	-68.1	-45.5	174.8	-179.6	58.6	0	0	0	111.8	L878 Y892 S893 Y898 L899 L900	L878-L896 HydrophobicContact CD1-CB 4.17Å; Y892-L896 HydrophobicContact CE1-CD2 4.05Å; Y892-L896 WeakPolarHBondContact O-CB 3.28Å; Y892-L896 PolarHBondContact O-N 2.88Å; S893-L896 PolarHBondContact O-N 3.48Å; L896-Y898 VanDerWaalsContact C-N 3.34Å; L896-Y898 PolarHBondContact O-N 3.29Å; L896-L899 PolarHBondContact O-N 3.18Å; L896-L900 HydrophobicContact CD1-CD1 4.21Å; L896-L900 HydrophobicContact CD1-CG 4.35Å; L896-L900 HydrophobicContact CG-CD1 4.14Å; L896-L900 WeakPolarHBondContact O-CG 3.49Å; L896-L900 PolarHBondContact O-N 2.85Å
897	E	94.5	Very high	91.8	Very high	149 Å²	149	86.3 Å²	86.3	70%	0.696	43%	0.434	S	S	*	.	H	α-helix	trans	-58.7	-45.5	174.9	-176.5	177	-163.8	0	0	111.3	S893 L899 L900 G901	S893-E897 PolarHBondContact O-N 3.33Å; E897-L899 PolarHBondContact O-N 3.45Å; E897-L900 PolarHBondContact O-N 3.28Å; E897-G901 PolarHBondContact O-N 3Å
898	Y	94.4	Very high	92.4	Very high	162 Å²	162	85.6 Å²	85.6	64%	0.635	44%	0.437	S	S	*	.	H	α-helix	trans	-58.5	-42.4	176.5	176.3	-104.3	0	0	0	113	A894 L896 K902	A894-Y898 WeakPolarHBondContact O-CB 3.34Å; A894-Y898 PolarHBondContact O-N 2.98Å; L896-Y898 VanDerWaalsContact C-N 3.34Å; L896-Y898 PolarHBondContact O-N 3.29Å; Y898-K902 WeakPolarHBondContact O-CB 3.49Å; Y898-K902 PolarHBondContact O-N 2.81Å
899	L	93.5	Very high	92.8	Very high	6 Å²	6	84.3 Å²	84.3	3%	0.031	44%	0.435	C	S	.	.	H	α-helix	trans	-64.3	-44.4	175	-71.8	-176.4	0	0	0	112.3	E874 L878 R895 L896 E897 K902 Q903	E874-L899 HydrophobicContact CB-CD1 3.74Å; E874-L899 HydrophobicContact CB-CD2 3.81Å; E874-L899 HydrophobicContact CB-CG 4.45Å; E874-L899 HydrophobicContact CG-CD2 4.27Å; E874-L899 WeakPolarHBondContact OE2-CD2 3.31Å; L878-L899 HydrophobicContact CD1-CD1 3.61Å; L878-L899 HydrophobicContact CD1-CG 4.44Å; L878-L899 HydrophobicContact CG-CD1 4.4Å; R895-L899 WeakPolarHBondContact O-CG 3.43Å; R895-L899 PolarHBondContact O-N 3.44Å; R895-L899 VanDerWaalsContact O-N 3.13Å; L896-L899 PolarHBondContact O-N 3.18Å; E897-L899 PolarHBondContact O-N 3.45Å; L899-K902 HydrophobicContact CD2-CD 4.38Å; L899-K902 WeakPolarHBondContact O-CB 3.36Å; L899-K902 PolarHBondContact O-N 2.81Å; L899-Q903 VanDerWaalsContact O-CG 3.31Å; L899-Q903 WeakPolarHBondContact O-CG 3.35Å; L899-Q903 PolarHBondContact O-N 3.27Å
900	L	94.6	Very high	93.1	Very high	78 Å²	78	80.9 Å²	80.9	41%	0.408	41%	0.413	S	S	.	.	H	α-helix	trans	-65.9	-42.3	-180	-67.2	170.9	0	0	0	111.3	L896 E897 Q903 I904	L896-L900 HydrophobicContact CD1-CD1 4.21Å; L896-L900 HydrophobicContact CD1-CG 4.35Å; L896-L900 HydrophobicContact CG-CD1 4.14Å; L896-L900 WeakPolarHBondContact O-CG 3.49Å; L896-L900 PolarHBondContact O-N 2.85Å; E897-L900 PolarHBondContact O-N 3.28Å; L900-Q903 PolarHBondContact O-N 2.65Å; L900-I904 WeakPolarHBondContact O-CB 3.29Å; L900-I904 VanDerWaalsContact O-CG1 3.27Å; L900-I904 WeakPolarHBondContact O-CG1 3.23Å; L900-I904 PolarHBondContact O-N 2.84Å
901	G	94.7	Very high	93.5	Very high	40 Å²	40	79 Å²	79	41%	0.412	40%	0.403	S	S	.	.	H	α-helix	trans	-62	-42.3	173.9	0	0	0	0	0	113.2	E897 Q903 K905	E897-G901 PolarHBondContact O-N 3Å; G901-Q903 VanDerWaalsContact C-N 3.34Å; G901-Q903 PolarHBondContact O-N 2.83Å; G901-K905 WeakPolarHBondContact O-CB 3.34Å; G901-K905 PolarHBondContact O-N 3.16Å; G901-K905 VanDerWaalsContact O-N 3.1Å
902	K	92.1	Very high	93.8	Very high	72 Å²	72	77.9 Å²	77.9	31%	0.313	40%	0.4	S	S	.	.	H	α-helix	trans	-58.5	-43.2	173.2	-179.1	-171.5	-175	-171.8	0	111.4	E874 Y898 L899 V906	E874-K902 VanDerWaalsContact CD-NZ 3.33Å; E874-K902 IonicContact OE1-NZ 3.98Å; E874-K902 PolarHBondContact OE1-NZ 2.91Å; E874-K902 IonicContact OE2-NZ 2.65Å; E874-K902 PolarHBondContact OE2-NZ 2.89Å; E874-K902 VanDerWaalsContact OE2-NZ 3.16Å; Y898-K902 WeakPolarHBondContact O-CB 3.49Å; Y898-K902 PolarHBondContact O-N 2.81Å; L899-K902 HydrophobicContact CD2-CD 4.38Å; L899-K902 WeakPolarHBondContact O-CB 3.36Å; L899-K902 PolarHBondContact O-N 2.81Å; K902-V906 WeakPolarHBondContact O-CG2 3.46Å
903	Q	94.1	Very high	93.8	Very high	37 Å²	37	77.9 Å²	77.9	17%	0.173	40%	0.401	C	S	.	.	H	α-helix	trans	-66.9	-52.2	177.1	-74.2	179.2	-36.4	0	0	112.5	W871 H875 L899 L900 G901 K905 V906 L907	W871-Q903 HydrophobicContact CD2-CG 3.57Å; W871-Q903 HydrophobicContact CE3-CG 3.64Å; W871-Q903 HydrophobicContact CG-CG 4.05Å; W871-Q903 HydrophobicContact CH2-CG 4.22Å; W871-Q903 HydrophobicContact CZ2-CG 4.15Å; W871-Q903 HydrophobicContact CZ3-CG 3.98Å; H875-Q903 PolarHBondContact NE2-NE2 3.19Å; H875-Q903 PolarHBondContact NE2-OE1 2.89Å; H875-Q903 VanDerWaalsContact NE2-OE1 3.15Å; L899-Q903 VanDerWaalsContact O-CG 3.31Å; L899-Q903 WeakPolarHBondContact O-CG 3.35Å; L899-Q903 PolarHBondContact O-N 3.27Å; L900-Q903 PolarHBondContact O-N 2.65Å; G901-Q903 VanDerWaalsContact C-N 3.34Å; G901-Q903 PolarHBondContact O-N 2.83Å; Q903-K905 VanDerWaalsContact C-N 3.32Å; Q903-K905 PolarHBondContact O-N 2.6Å; Q903-V906 PolarHBondContact O-N 3.25Å; Q903-L907 WeakPolarHBondContact O-CG 3.32Å; Q903-L907 PolarHBondContact O-N 2.82Å
904	I	95.2	Very high	93.9	Very high	115 Å²	115	77.2 Å²	77.2	59%	0.59	39%	0.394	S	S	*	.	H	α-helix	trans	-58.3	-43.8	-177.3	-70.1	164.4	0	0	0	111.1	L900 V906 L907 S908	L900-I904 WeakPolarHBondContact O-CB 3.29Å; L900-I904 VanDerWaalsContact O-CG1 3.27Å; L900-I904 WeakPolarHBondContact O-CG1 3.23Å; L900-I904 PolarHBondContact O-N 2.84Å; I904-V906 PolarHBondContact O-N 2.64Å; I904-L907 PolarHBondContact O-N 3.3Å; I904-S908 PolarHBondContact O-N 3Å
905	K	93.9	Very high	93.9	Very high	168 Å²	168	78.6 Å²	78.6	73%	0.73	40%	0.397	S	S	*	.	H	α-helix	trans	-59.8	-43.9	179.6	-174.9	173	-177.6	173.9	0	112.7	G901 Q903 S909	G901-K905 WeakPolarHBondContact O-CB 3.34Å; G901-K905 PolarHBondContact O-N 3.16Å; G901-K905 VanDerWaalsContact O-N 3.1Å; Q903-K905 VanDerWaalsContact C-N 3.32Å; Q903-K905 PolarHBondContact O-N 2.6Å; K905-S909 PolarHBondContact O-N 3.38Å
906	V	92.4	Very high	93.9	Very high	54 Å²	54	76.6 Å²	76.6	33%	0.327	40%	0.395	S	S	.	.	H	α-helix	trans	-70.7	-44.3	179.4	172.9	0	0	0	0	111.1	V864 W871 K902 Q903 I904 S909 L910	V864-V906 HydrophobicContact CG2-CG1 3.73Å; W871-V906 HydrophobicContact CH2-CB 4.01Å; W871-V906 HydrophobicContact CH2-CG1 3.95Å; W871-V906 HydrophobicContact CZ2-CB 4.24Å; W871-V906 HydrophobicContact CZ2-CG1 4.41Å; W871-V906 HydrophobicContact CZ2-CG2 4.25Å; K902-V906 WeakPolarHBondContact O-CG2 3.46Å; Q903-V906 PolarHBondContact O-N 3.25Å; I904-V906 PolarHBondContact O-N 2.64Å; V906-S909 PolarHBondContact O-N 2.73Å; V906-L910 PolarHBondContact O-N 2.87Å; V906-L910 VanDerWaalsContact O-N 3.13Å
907	L	94.5	Very high	93.9	Very high	88 Å²	88	76.8 Å²	76.8	46%	0.461	39%	0.392	S	S	.	.	H	α-helix	trans	-67.9	-36.8	-178.7	-68.1	173.1	0	0	0	112.9	V864 Q903 I904 K911	V864-L907 HydrophobicContact CG1-CD2 3.84Å; Q903-L907 WeakPolarHBondContact O-CG 3.32Å; Q903-L907 PolarHBondContact O-N 2.82Å; I904-L907 PolarHBondContact O-N 3.3Å; L907-K911 WeakPolarHBondContact O-CB 3.27Å; L907-K911 PolarHBondContact O-N 3.3Å
908	S	94.7	Very high	93.7	Very high	49 Å²	49	77.6 Å²	77.6	34%	0.343	39%	0.389	S	S	.	.	H	α-helix	trans	-64.2	-46.9	171.9	-160.2	0	0	0	0	110.9	I904 L910 K911 D912	I904-S908 PolarHBondContact O-N 3Å; S908-L910 VanDerWaalsContact C-N 3.29Å; S908-L910 PolarHBondContact O-N 3.4Å; S908-K911 WeakPolarHBondContact O-CB 3.43Å; S908-K911 PolarHBondContact O-N 2.93Å; S908-K911 VanDerWaalsContact O-N 3.09Å; S908-D912 WeakPolarHBondContact O-CB 3.43Å; S908-D912 PolarHBondContact O-N 3.25Å; S908-D912 PolarHBondContact OG-OD2 3.35Å
909	S	93.5	Very high	93.5	Very high	65 Å²	65	75.7 Å²	75.7	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-55.3	-42.1	179.6	-172	0	0	0	0	112.8	K905 V906 K913	K905-S909 PolarHBondContact O-N 3.38Å; V906-S909 PolarHBondContact O-N 2.73Å; S909-K913 WeakPolarHBondContact O-CG 3.43Å; S909-K913 PolarHBondContact O-N 2.74Å
910	L	94.3	Very high	93.3	Very high	23 Å²	23	75.7 Å²	75.7	12%	0.12	38%	0.381	C	S	.	.	H	α-helix	trans	-70.2	-44.8	175.6	176.5	58.3	0	0	0	111.9	I857 D860 H861 V864 V906 S908 D912 K913 V914	I857-L910 HydrophobicContact CG2-CD1 4.36Å; D860-L910 HydrophobicContact CB-CD1 4.08Å; H861-L910 HydrophobicContact CB-CD1 4.5Å; H861-L910 HydrophobicContact CB-CD2 4.16Å; V864-L910 HydrophobicContact CB-CD2 4.34Å; V864-L910 HydrophobicContact CG2-CD2 3.77Å; V906-L910 PolarHBondContact O-N 2.87Å; V906-L910 VanDerWaalsContact O-N 3.13Å; S908-L910 VanDerWaalsContact C-N 3.29Å; S908-L910 PolarHBondContact O-N 3.4Å; L910-D912 VanDerWaalsContact C-N 3.28Å; L910-D912 PolarHBondContact O-N 3.02Å; L910-K913 PolarHBondContact O-N 3.07Å; L910-V914 HydrophobicContact CD1-CG2 4.08Å; L910-V914 HydrophobicContact CG-CG2 4.5Å; L910-V914 WeakPolarHBondContact O-CG2 3.34Å; L910-V914 PolarHBondContact O-N 2.8Å
911	K	95.9	Very high	92.9	Very high	120 Å²	120	75 Å²	75	52%	0.522	38%	0.377	S	S	.	.	H	α-helix	trans	-53.6	-47.2	175.5	167.7	-175.9	153.3	-80.3	0	111.2	L907 S908 V914 T915	L907-K911 WeakPolarHBondContact O-CB 3.27Å; L907-K911 PolarHBondContact O-N 3.3Å; S908-K911 WeakPolarHBondContact O-CB 3.43Å; S908-K911 PolarHBondContact O-N 2.93Å; S908-K911 VanDerWaalsContact O-N 3.09Å; K911-V914 PolarHBondContact O-N 3.33Å; K911-T915 WeakPolarHBondContact O-CG2 3.44Å; K911-T915 PolarHBondContact O-N 3.11Å
912	D	94.7	Very high	92.5	Very high	68 Å²	68	79.8 Å²	79.8	36%	0.364	38%	0.382	S	S	.	.	H	α-helix	trans	-70.1	-40.4	-172.5	-58.6	-31.9	0	0	0	110.4	S908 L910 V914 T915 L916	S908-D912 WeakPolarHBondContact O-CB 3.43Å; S908-D912 PolarHBondContact O-N 3.25Å; S908-D912 PolarHBondContact OG-OD2 3.35Å; L910-D912 VanDerWaalsContact C-N 3.28Å; L910-D912 PolarHBondContact O-N 3.02Å; D912-V914 PolarHBondContact O-N 3.13Å; D912-T915 PolarHBondContact O-N 3Å; D912-T915 PolarHBondContact O-OG1 3.16Å; D912-L916 PolarHBondContact O-N 3.12Å; D912-L916 VanDerWaalsContact O-N 3.12Å
913	K	92.8	Very high	92.1	Very high	59 Å²	59	80.6 Å²	80.6	26%	0.257	39%	0.387	S	S	.	.	H	α-helix	trans	-58	-45.4	167.7	-72.3	-174.4	-175	-175	0	112.9	E856 I857 D860 S909 L910 T915 L916 W917	E856-K913 WeakPolarHBondContact OE1-CE 3.23Å; E856-K913 IonicContact OE1-NZ 3.88Å; E856-K913 PolarHBondContact OE1-NZ 3.27Å; I857-K913 HydrophobicContact CD1-CB 4.29Å; I857-K913 HydrophobicContact CG1-CB 4.13Å; D860-K913 IonicContact OD1-NZ 3.64Å; D860-K913 WeakPolarHBondContact OD2-CD 3.43Å; D860-K913 WeakPolarHBondContact OD2-CE 3.47Å; D860-K913 IonicContact OD2-NZ 2.75Å; D860-K913 PolarHBondContact OD2-NZ 3.33Å; S909-K913 WeakPolarHBondContact O-CG 3.43Å; S909-K913 PolarHBondContact O-N 2.74Å; L910-K913 PolarHBondContact O-N 3.07Å; K913-T915 VanDerWaalsContact C-N 3.3Å; K913-T915 PolarHBondContact O-N 3.07Å; K913-L916 WeakPolarHBondContact O-CB 3.36Å; K913-L916 PolarHBondContact O-N 2.7Å; K913-L916 VanDerWaalsContact O-N 3.15Å; K913-W917 PolarHBondContact O-N 3.16Å
914	V	93.9	Very high	91.6	Very high	48 Å²	48	80.9 Å²	80.9	29%	0.291	39%	0.389	S	S	.	.	H	α-helix	trans	-62.8	-35.5	177.3	169.8	0	0	0	0	111.7	I857 L910 K911 D912 R918	I857-V914 HydrophobicContact CD1-CG2 4.4Å; I857-V914 HydrophobicContact CG2-CG2 3.79Å; L910-V914 HydrophobicContact CD1-CG2 4.08Å; L910-V914 HydrophobicContact CG-CG2 4.5Å; L910-V914 WeakPolarHBondContact O-CG2 3.34Å; L910-V914 PolarHBondContact O-N 2.8Å; K911-V914 PolarHBondContact O-N 3.33Å; D912-V914 PolarHBondContact O-N 3.13Å; V914-R918 WeakPolarHBondContact O-CB 3.43Å; V914-R918 WeakPolarHBondContact O-CG 3.37Å; V914-R918 PolarHBondContact O-N 2.94Å
915	T	93.6	Very high	91.1	Very high	83 Å²	83	81.4 Å²	81.4	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-68	-34.3	174.2	58.8	0	0	0	0	113.2	K911 D912 K913 R919	K911-T915 WeakPolarHBondContact O-CG2 3.44Å; K911-T915 PolarHBondContact O-N 3.11Å; D912-T915 PolarHBondContact O-N 3Å; D912-T915 PolarHBondContact O-OG1 3.16Å; K913-T915 VanDerWaalsContact C-N 3.3Å; K913-T915 PolarHBondContact O-N 3.07Å; T915-R919 PolarHBondContact O-N 2.93Å
916	L	91.8	Very high	90.5	Very high	77 Å²	77	79.1 Å²	79.1	40%	0.403	38%	0.381	S	S	.	.	H	α-helix	trans	-67.4	-50	174.5	-171.7	67.4	0	0	0	111.1	M853 D912 K913 R918 R919 D920	M853-L916 HydrophobicContact CE-CB 4.23Å; M853-L916 HydrophobicContact CE-CD2 3.89Å; M853-L916 HydrophobicContact CE-CG 3.88Å; D912-L916 PolarHBondContact O-N 3.12Å; D912-L916 VanDerWaalsContact O-N 3.12Å; K913-L916 WeakPolarHBondContact O-CB 3.36Å; K913-L916 PolarHBondContact O-N 2.7Å; K913-L916 VanDerWaalsContact O-N 3.15Å; L916-R918 VanDerWaalsContact C-N 3.3Å; L916-R918 PolarHBondContact O-N 2.73Å; L916-R919 WeakPolarHBondContact O-CA 3.43Å; L916-R919 VanDerWaalsContact O-CB 3.29Å; L916-R919 WeakPolarHBondContact O-CB 3.43Å; L916-R919 PolarHBondContact O-N 3.47Å; L916-D920 PolarHBondContact O-N 2.8Å
917	W	92.3	Very high	89.9	Confident	51 Å²	51	78.6 Å²	78.6	19%	0.193	38%	0.376	C	S	.	.	H	α-helix	trans	-59.2	-39.7	177.2	-172.6	49.8	0	0	0	112.4	M853 E854 I857 K913 R919 D920 L921	M853-W917 HydrophobicContact CB-CG 4.44Å; M853-W917 HydrophobicContact CE-CB 3.93Å; E854-W917 HydrophobicContact CB-CZ2 3.7Å; E854-W917 HydrophobicContact CG-CH2 4.14Å; E854-W917 HydrophobicContact CG-CZ2 3.71Å; I857-W917 HydrophobicContact CD1-CB 3.37Å; I857-W917 HydrophobicContact CD1-CD2 3.85Å; I857-W917 HydrophobicContact CD1-CE3 3.87Å; I857-W917 HydrophobicContact CD1-CG 3.69Å; I857-W917 HydrophobicContact CG2-CE3 4.36Å; I857-W917 HydrophobicContact CG2-CZ3 4.45Å; K913-W917 PolarHBondContact O-N 3.16Å; W917-R919 PolarHBondContact O-N 3.43Å; W917-D920 PolarHBondContact O-N 3.46Å; W917-L921 HydrophobicContact CD2-CD1 3.89Å; W917-L921 HydrophobicContact CE3-CD1 4.38Å; W917-L921 HydrophobicContact CG-CD1 4.18Å; W917-L921 HydrophobicContact CZ2-CD1 4.19Å; W917-L921 WeakPolarHBondContact O-CB 3.37Å; W917-L921 VanDerWaalsContact O-CG 3.32Å; W917-L921 WeakPolarHBondContact O-CG 3.29Å; W917-L921 PolarHBondContact O-N 2.85Å
918	R	91.3	Very high	89.1	Confident	167 Å²	167	75.9 Å²	75.9	63%	0.63	36%	0.364	S	S	*	.	H	α-helix	trans	-70.1	-9.3	172.8	-72.8	-167.7	70.2	-177.2	2.1	114.7	V914 L916 R922	V914-R918 WeakPolarHBondContact O-CB 3.43Å; V914-R918 WeakPolarHBondContact O-CG 3.37Å; V914-R918 PolarHBondContact O-N 2.94Å; L916-R918 VanDerWaalsContact C-N 3.3Å; L916-R918 PolarHBondContact O-N 2.73Å; R918-R922 VanDerWaalsContact O-CZ 3.27Å; R918-R922 PolarHBondContact O-NE 3.42Å; R918-R922 PolarHBondContact O-NH2 3Å
919	R	90.2	Very high	88.4	Confident	122 Å²	122	76.5 Å²	76.5	46%	0.46	37%	0.366	S	S	.	.	H	α-helix	trans	-87.3	-48.8	166.2	-176.3	-161.9	67.4	169.8	2	109.4	T915 L916 W917 L921 R922 Q923	T915-R919 PolarHBondContact O-N 2.93Å; L916-R919 WeakPolarHBondContact O-CA 3.43Å; L916-R919 VanDerWaalsContact O-CB 3.29Å; L916-R919 WeakPolarHBondContact O-CB 3.43Å; L916-R919 PolarHBondContact O-N 3.47Å; W917-R919 PolarHBondContact O-N 3.43Å; R919-L921 PolarHBondContact O-N 3.03Å; R919-R922 WeakPolarHBondContact O-CB 3.41Å; R919-R922 PolarHBondContact O-N 3.34Å; R919-Q923 PolarHBondContact O-N 2.97Å
920	D	88.5	Confident	87.6	Confident	6 Å²	6	77 Å²	77	3%	0.032	36%	0.363	C	S	.	.	H	α-helix	trans	-69.6	-34.7	-171.5	-60.5	5.1	0	0	0	111.4	Q849 L916 W917 R922 Q923 E924	Q849-D920 PolarHBondContact NE2-OD2 3.05Å; L916-D920 PolarHBondContact O-N 2.8Å; W917-D920 PolarHBondContact O-N 3.46Å; D920-R922 VanDerWaalsContact C-N 3.26Å; D920-R922 PolarHBondContact O-N 2.81Å; D920-Q923 WeakPolarHBondContact O-CB 3.44Å; D920-Q923 PolarHBondContact O-N 3.24Å; D920-E924 PolarHBondContact O-N 2.82Å; D920-E924 VanDerWaalsContact O-N 3.09Å
921	L	86.6	Confident	86.7	Confident	62 Å²	62	77.5 Å²	77.5	33%	0.325	37%	0.366	S	S	.	.	H	α-helix	trans	-56.6	-33.6	168.3	-78.4	166.8	0	0	0	113.8	I850 W917 R919 E925	I850-L921 HydrophobicContact CG2-CD2 3.65Å; I850-L921 HydrophobicContact CG2-CG 4.41Å; W917-L921 HydrophobicContact CD2-CD1 3.89Å; W917-L921 HydrophobicContact CE3-CD1 4.38Å; W917-L921 HydrophobicContact CG-CD1 4.18Å; W917-L921 HydrophobicContact CZ2-CD1 4.19Å; W917-L921 WeakPolarHBondContact O-CB 3.37Å; W917-L921 VanDerWaalsContact O-CG 3.32Å; W917-L921 WeakPolarHBondContact O-CG 3.29Å; W917-L921 PolarHBondContact O-N 2.85Å; R919-L921 PolarHBondContact O-N 3.03Å; L921-E925 PolarHBondContact O-N 2.9Å; L921-E925 VanDerWaalsContact O-N 3.17Å
922	R	87.2	Confident	85.5	Confident	141 Å²	141	77 Å²	77	53%	0.532	37%	0.365	S	S	.	.	H	α-helix	trans	-76.6	-26.2	175.6	-80.8	175.4	-75.7	168.5	0.4	112.2	R918 R919 D920 E925 E926	R918-R922 VanDerWaalsContact O-CZ 3.27Å; R918-R922 PolarHBondContact O-NE 3.42Å; R918-R922 PolarHBondContact O-NH2 3Å; R919-R922 WeakPolarHBondContact O-CB 3.41Å; R919-R922 PolarHBondContact O-N 3.34Å; D920-R922 VanDerWaalsContact C-N 3.26Å; D920-R922 PolarHBondContact O-N 2.81Å; R922-E925 PolarHBondContact O-N 3.34Å; R922-E926 WeakPolarHBondContact O-CB 3.3Å; R922-E926 VanDerWaalsContact O-CG 3.27Å; R922-E926 WeakPolarHBondContact O-CG 3.21Å; R922-E926 PolarHBondContact O-N 3.03Å
923	Q	82.5	Confident	84.4	Confident	89 Å²	89	78.2 Å²	78.2	42%	0.416	37%	0.365	S	S	.	.	H	α-helix	trans	-72.4	-34.5	174.4	-63	-178.2	-34.9	0	0	111.2	R919 D920 L927	R919-Q923 PolarHBondContact O-N 2.97Å; D920-Q923 WeakPolarHBondContact O-CB 3.44Å; D920-Q923 PolarHBondContact O-N 3.24Å; Q923-L927 WeakPolarHBondContact O-CB 3.49Å; Q923-L927 WeakPolarHBondContact O-CG 3.26Å; Q923-L927 PolarHBondContact O-N 2.85Å
924	E	84.7	Confident	82.9	Confident	44 Å²	44	79.3 Å²	79.3	21%	0.206	37%	0.374	C	S	.	.	H	α-helix	trans	-65.7	-45.2	168.8	-174.9	-79.3	141.7	0	0	111.9	F843 V846 I847 I850 D920 E926 L927 S928	F843-E924 HydrophobicContact CE2-CG 4.05Å; F843-E924 HydrophobicContact CZ-CG 4.42Å; F843-E924 WeakPolarHBondContact CZ-OE1 3.42Å; V846-E924 HydrophobicContact CG1-CB 4.16Å; I847-E924 HydrophobicContact CD1-CG 3.69Å; I850-E924 HydrophobicContact CD1-CB 3.44Å; I850-E924 VanDerWaalsContact CD1-CB 3.44Å; I850-E924 HydrophobicContact CD1-CG 4.08Å; D920-E924 PolarHBondContact O-N 2.82Å; D920-E924 VanDerWaalsContact O-N 3.09Å; E924-E926 VanDerWaalsContact C-N 3.33Å; E924-E926 PolarHBondContact O-N 3.42Å; E924-L927 PolarHBondContact O-N 3.26Å; E924-S928 WeakPolarHBondContact O-CB 3.32Å; E924-S928 PolarHBondContact O-N 3.42Å; E924-S928 WeakPolarHBondContact OE1-CB 3.4Å
925	E	83.2	Confident	81.3	Confident	126 Å²	126	85.2 Å²	85.2	59%	0.589	40%	0.398	S	S	*	.	H	α-helix	trans	-58.1	-44.8	175.5	-171.1	173.9	-159	0	0	111.4	L921 R922 S928 T929	L921-E925 PolarHBondContact O-N 2.9Å; L921-E925 VanDerWaalsContact O-N 3.17Å; R922-E925 PolarHBondContact O-N 3.34Å; E925-S928 PolarHBondContact O-N 3.14Å; E925-T929 WeakPolarHBondContact O-CG2 3.39Å; E925-T929 PolarHBondContact O-N 3.13Å
926	E	82.2	Confident	79.2	Confident	120 Å²	120	89.5 Å²	89.5	56%	0.561	41%	0.409	S	S	*	.	H	α-helix	trans	-59.7	-50.3	173.5	-75.7	169.4	-164.4	0	0	112.1	R922 E924 S928 T929 N930	R922-E926 WeakPolarHBondContact O-CB 3.3Å; R922-E926 VanDerWaalsContact O-CG 3.27Å; R922-E926 WeakPolarHBondContact O-CG 3.21Å; R922-E926 PolarHBondContact O-N 3.03Å; E924-E926 VanDerWaalsContact C-N 3.33Å; E924-E926 PolarHBondContact O-N 3.42Å; E926-S928 PolarHBondContact O-N 3.34Å; E926-T929 PolarHBondContact O-N 3.29Å; E926-T929 PolarHBondContact O-OG1 3.41Å; E926-N930 PolarHBondContact O-N 3.49Å; E926-N930 VanDerWaalsContact O-N 3.15Å; E926-N930 PolarHBondContact O-ND2 3.14Å
927	L	79.3	Confident	76.8	Confident	43 Å²	43	94.4 Å²	94.4	23%	0.225	44%	0.435	C	S	.	.	H	α-helix	trans	-61.8	-42	177.4	-73.8	167.7	0	0	0	112.5	F843 V846 Q923 E924 T929 N930 L931	F843-L927 HydrophobicContact CD2-CB 4.05Å; F843-L927 HydrophobicContact CE2-CB 4.42Å; V846-L927 HydrophobicContact CB-CD1 4.33Å; V846-L927 HydrophobicContact CG1-CD1 4.21Å; V846-L927 HydrophobicContact CG2-CD1 3.94Å; Q923-L927 WeakPolarHBondContact O-CB 3.49Å; Q923-L927 WeakPolarHBondContact O-CG 3.26Å; Q923-L927 PolarHBondContact O-N 2.85Å; E924-L927 PolarHBondContact O-N 3.26Å; L927-T929 PolarHBondContact O-N 2.93Å; L927-N930 WeakPolarHBondContact O-CA 3.42Å; L927-N930 WeakPolarHBondContact O-CB 3.38Å; L927-N930 PolarHBondContact O-N 3.43Å; L927-L931 VanDerWaalsContact O-CD1 3.3Å; L927-L931 WeakPolarHBondContact O-CD1 3.31Å; L927-L931 PolarHBondContact O-N 3.08Å
928	S	78.6	Confident	76.1	Confident	30 Å²	30	96.6 Å²	96.6	21%	0.21	45%	0.447	C	S	.	.	H	α-helix	trans	-62.4	-42	178.4	-172	0	0	0	0	111.4	E924 E925 E926 N930 Q932	E924-S928 WeakPolarHBondContact O-CB 3.32Å; E924-S928 PolarHBondContact O-N 3.42Å; E924-S928 WeakPolarHBondContact OE1-CB 3.4Å; E925-S928 PolarHBondContact O-N 3.14Å; E926-S928 PolarHBondContact O-N 3.34Å; S928-N930 VanDerWaalsContact C-N 3.26Å; S928-N930 PolarHBondContact O-N 3.04Å; S928-Q932 WeakPolarHBondContact O-CB 3.3Å; S928-Q932 VanDerWaalsContact O-CG 3.23Å; S928-Q932 WeakPolarHBondContact O-CG 3.39Å; S928-Q932 PolarHBondContact O-N 3.35Å; S928-Q932 PolarHBondContact O-NE2 3.46Å; S928-Q932 PolarHBondContact OG-NE2 3.25Å
929	T	78.8	Confident	75.3	Confident	62 Å²	62	92.8 Å²	92.8	38%	0.38	44%	0.437	S	S	.	.	H	α-helix	trans	-68.7	-23.3	173.1	67.9	0	0	0	0	113.5	E925 E926 L927 R933	E925-T929 WeakPolarHBondContact O-CG2 3.39Å; E925-T929 PolarHBondContact O-N 3.13Å; E926-T929 PolarHBondContact O-N 3.29Å; E926-T929 PolarHBondContact O-OG1 3.41Å; L927-T929 PolarHBondContact O-N 2.93Å; T929-R933 WeakPolarHBondContact O-CG 3.48Å; T929-R933 PolarHBondContact O-N 2.91Å; T929-R933 PolarHBondContact O-NH1 2.8Å; T929-R933 PolarHBondContact OG1-NH1 2.62Å
930	N	77.2	Confident	74.4	Confident	75 Å²	75	91.2 Å²	91.2	40%	0.401	44%	0.436	S	S	.	.	H	α-helix	trans	-80.3	-45.3	175.8	-69.1	-25.8	0	0	0	111.8	E926 L927 S928 Q932 R933 N934	E926-N930 PolarHBondContact O-N 3.49Å; E926-N930 VanDerWaalsContact O-N 3.15Å; E926-N930 PolarHBondContact O-ND2 3.14Å; L927-N930 WeakPolarHBondContact O-CA 3.42Å; L927-N930 WeakPolarHBondContact O-CB 3.38Å; L927-N930 PolarHBondContact O-N 3.43Å; S928-N930 VanDerWaalsContact C-N 3.26Å; S928-N930 PolarHBondContact O-N 3.04Å; N930-Q932 PolarHBondContact O-N 3.48Å; N930-R933 WeakPolarHBondContact O-CB 3.31Å; N930-R933 PolarHBondContact O-N 3.25Å; N930-N934 PolarHBondContact O-N 3.42Å
931	L	75.1	Confident	73.6	Confident	35 Å²	35	96.2 Å²	96.2	18%	0.183	46%	0.46	C	S	.	.	H	α-helix	trans	-58.5	-38.1	171.1	-87.8	79.7	0	0	0	111.3	V840 F843 L927 R933 N934 H935	V840-L931 HydrophobicContact CG2-CD2 4.26Å; F843-L931 HydrophobicContact CB-CD1 4.38Å; F843-L931 HydrophobicContact CB-CD2 4.09Å; F843-L931 HydrophobicContact CD1-CD2 4.4Å; F843-L931 HydrophobicContact CD2-CD1 4.38Å; F843-L931 HydrophobicContact CG-CD2 4.1Å; L927-L931 VanDerWaalsContact O-CD1 3.3Å; L927-L931 WeakPolarHBondContact O-CD1 3.31Å; L927-L931 PolarHBondContact O-N 3.08Å; L931-R933 VanDerWaalsContact C-N 3.28Å; L931-R933 PolarHBondContact O-N 2.99Å; L931-N934 PolarHBondContact O-N 3.43Å; L931-H935 PolarHBondContact O-N 3.46Å
932	Q	71.3	Confident	72.8	Confident	108 Å²	108	98.4 Å²	98.4	51%	0.505	47%	0.468	S	S	.	.	H	α-helix	trans	-70	-18	175.5	-73	178.7	55.5	0	0	114.8	S928 N930 K936	S928-Q932 WeakPolarHBondContact O-CB 3.3Å; S928-Q932 VanDerWaalsContact O-CG 3.23Å; S928-Q932 WeakPolarHBondContact O-CG 3.39Å; S928-Q932 PolarHBondContact O-N 3.35Å; S928-Q932 PolarHBondContact O-NE2 3.46Å; S928-Q932 PolarHBondContact OG-NE2 3.25Å; N930-Q932 PolarHBondContact O-N 3.48Å; Q932-K936 WeakPolarHBondContact O-CD 3.33Å
933	R	70.7	Confident	71.8	Confident	94 Å²	94	95.5 Å²	95.5	36%	0.355	46%	0.464	S	S	.	.	H	α-helix	trans	-80.9	-48.2	166.7	-76.5	174.7	175	92.9	-11.2	110.7	E256 T929 N930 L931 H935 K936 L937	E256-R933 IonicContact OE1-CZ 2.65Å; E256-R933 VanDerWaalsContact OE1-CZ 3.23Å; E256-R933 IonicContact OE1-NE 2.68Å; E256-R933 PolarHBondContact OE1-NE 2.69Å; E256-R933 IonicContact OE1-NH2 3.55Å; E256-R933 PolarHBondContact OE1-NH2 3.02Å; T929-R933 WeakPolarHBondContact O-CG 3.48Å; T929-R933 PolarHBondContact O-N 2.91Å; T929-R933 PolarHBondContact O-NH1 2.8Å; T929-R933 PolarHBondContact OG1-NH1 2.62Å; N930-R933 WeakPolarHBondContact O-CB 3.31Å; N930-R933 PolarHBondContact O-N 3.25Å; L931-R933 VanDerWaalsContact C-N 3.28Å; L931-R933 PolarHBondContact O-N 2.99Å; R933-H935 PolarHBondContact O-N 2.93Å; R933-H935 VanDerWaalsContact O-N 3.13Å; R933-K936 PolarHBondContact O-N 2.77Å; R933-L937 PolarHBondContact O-N 3.39Å
934	N	62.3	Low	71.1	Confident	82 Å²	82	96 Å²	96	44%	0.439	47%	0.467	S	S	.	.	H	α-helix	trans	-61.9	-21.1	-179.6	-69.3	5.8	0	0	0	112.8	E839 N930 L931	E839-N934 PolarHBondContact OE2-ND2 3.1Å; N930-N934 PolarHBondContact O-N 3.42Å; L931-N934 PolarHBondContact O-N 3.43Å
935	H	58.9	Low	70	Confident	172 Å²	172	100 Å²	100	80%	0.796	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	4.6	171.9	-108	-53.4	0	0	0	115.6	L931 R933	L931-H935 PolarHBondContact O-N 3.46Å; R933-H935 PolarHBondContact O-N 2.93Å; R933-H935 VanDerWaalsContact O-N 3.13Å
936	K	51.2	Low	68.9	Low	173 Å²	173	97.8 Å²	97.8	75%	0.752	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	-2.6	177.8	-74.7	179	-178.7	164.9	0	113.7	Q932 R933	Q932-K936 WeakPolarHBondContact O-CD 3.33Å; R933-K936 PolarHBondContact O-N 2.77Å
937	L	41.3	Very low	67.7	Low	180 Å²	180	95.8 Å²	95.8	94%	0.942	47%	0.472	S	S	*	.			trans	-96	0	165.2	-65.1	170.3	0	0	0	108.7	R933	R933-L937 PolarHBondContact O-N 3.39Å

Retrieved 937 of 937 residues in 967.6 ms (Link to these results)

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