A0A5K4F7R3_SCHMA Loading...

Protein AF-10

AlphaFold DB , UniProt , Accession A0A5K4F7R3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 963 aa.

						>A0A5K4F7R3_SCHMA|A0A5K4F7R3
MRCCVCSLEFQNPSNSLIFCGNCNTIVHQGCYGVQKLTGVNNWFCRKCESQVRMSKIRCDLCPIKDGAFKRSNGVRCGWAHIVCAIYIPEVFFTDLSTMELISVENVMPDRLGRSCIFCERNQRSSLANYGACIQCAWKNCRLHFHVSCASVEGLLSELPATEANTSVSIAEILFKTTDKNKPSPNFPDDSTELSKEMNHNCEQQSYRYQLNGFCCSQHKKKFMSEGFNSSSVPAISHGSTDVNKVCKSPTAEMSCEVNNQPPRRRSSQLRLSQRPCTSDPNRADEGSNSQDDLKSDEKTTSECKREFNHQSSSAIQEDQISNETRSPGSTTTGCPNVKRIKMDVNLSKDRIGEAIGTEGVLSNLILISLDCHNCTASSSSSSSATTNNHSAVTSTITSSQSSVTDSTIPVTTQENLPLILPRRPLSLRGLGISCNSKNSSVLNNVAGMYVDSPSAPTNKVPISTKYDNSSPPTLATMHDLLEWQWDQAGALLMQQAKNTDVVTLLDCLHQLKCENDILEAKLIRLTTRHEHLKSVNARLSNSLATMESTMVINSPKHEISERNSTAVNNLTKKSNHHFAYPLDTNTTITSNITTTTQSSQMSTILHSIDPESHQLQLPDNVTKNSSNQPVTLLNNYNDPSSAKHSTDRNKKVPILPKDYTTTCSNSNLKHDSTDLMDNLGSFDKIHSTNCLNHTQPVFCTSLDYLKSPHESHLSYSNLIKHQPNTFLNDSFTPHRNNNNNNQTKSTFDYLSSSCSSSSSTIPPTNSTYFTKSVDLNDLQELSARLSSAIAARQPQSTKSISSAMPSCPSLPKNSGQSKRNNKAVTSTQPSSSSKLPIPPLNSGSLVNCISKLETSTSCQNFCPTNSNNVQPTTASNNSTKSSYPSDQASLQSQSNPLSFMIFTSPTIPDIQNHSTPSSTNQPIVTTNEIISNELDTSESSIIVTTNSNSVSLPGDCKTTLTH
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	79.5	Confident	84	Confident	143 Å²	143	68.6 Å²	68.6	70%	0.704	34%	0.336	S	S	*	.				0	156.2	0	-80.4	-65.3	-142.8	0	0	108.5	L17 F19 I26	M1-L17 HydrophobicContact CB-CD2 3.91Å; M1-F19 HydrophobicContact CB-CE1 4.19Å; M1-F19 HydrophobicContact CB-CZ 4.23Å; M1-F19 HydrophobicContact CE-CE1 4.44Å; M1-F19 HydrophobicContact CG-CE1 3.98Å; M1-F19 HydrophobicContact CG-CZ 4.28Å; M1-I26 HydrophobicContact CB-CD1 4.35Å; M1-I26 HydrophobicContact CE-CD1 3.7Å; M1-I26 HydrophobicContact CG-CD1 4.27Å; M1-I26 HydrophobicContact SD-CD1 3.68Å
2	R	88.5	Confident	82.9	Confident	131 Å²	131	65.6 Å²	65.6	49%	0.494	32%	0.322	S	S	.	.			trans	-115.7	146.1	179	-48.1	-131	174.8	76	20.7	111.4	S7 L8 E9	R2-S7 WeakPolarHBondContact CD-O 3.48Å; R2-L8 WeakPolarHBondContact CA-O 3.49Å; R2-E9 HydrophobicContact CG-CG 3.75Å; R2-E9 IonicContact CZ-OE1 3.27Å; R2-E9 IonicContact NE-OE1 3.43Å; R2-E9 PolarHBondContact NE-OE1 3.4Å; R2-E9 IonicContact NH2-OE1 3.72Å; R2-E9 PolarHBondContact NH2-OE1 3.33Å
3	C	91.4	Very high	82.1	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.007	36%	0.36	C	S	.	.			trans	-69.7	130.5	164.9	167.4	0	0	0	0	110.6	V5 C6 S7 L8 L17 I26 H28 C31	C3-V5 PolarHBondContact O-N 3.23Å; C3-V5 PolarHBondContact SG-N 2.72Å; C3-V5 VanDerWaalsContact SG-N 3.36Å; C3-C6 VanDerWaalsContact SG-SG 3.65Å; C3-S7 WeakPolarHBondContact O-CA 3.49Å; C3-S7 PolarHBondContact O-N 2.97Å; C3-L8 PolarHBondContact N-O 3.42Å; C3-L8 VanDerWaalsContact N-O 3.07Å; C3-L17 HydrophobicContact CB-CD1 3.81Å; C3-I26 CarbonylContact C-O 3.53Å; C3-I26 WeakPolarHBondContact CA-O 3.48Å; C3-H28 VanDerWaalsContact CB-CE1 3.42Å; C3-H28 WeakPolarHBondContact CB-CE1 3.43Å; C3-H28 WeakPolarHBondContact CB-ND1 3.33Å; C3-H28 PolarHBondContact SG-N 3.34Å; C3-H28 VanDerWaalsContact SG-N 3.41Å; C3-H28 PolarHBondContact SG-ND1 3.5Å; C3-C31 PolarHBondContact SG-SG 3.48Å
4	C	92.2	Very high	81.6	Confident	45 Å²	45	68.1 Å²	68.1	30%	0.304	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	6.4	-179.5	74	0	0	0	0	114.6	I26	C4-I26 PolarHBondContact N-O 3.28Å; C4-I26 PolarHBondContact SG-O 3.24Å; C4-I26 VanDerWaalsContact SG-O 3.41Å
5	V	91.7	Very high	81.5	Confident	2 Å²	2	65 Å²	65	1%	0.012	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-60.7	171.7	-178.2	0	0	0	0	110	C3 V27 C31 A68 I82 I86 L159	C3-V5 PolarHBondContact O-N 3.23Å; C3-V5 PolarHBondContact SG-N 2.72Å; C3-V5 VanDerWaalsContact SG-N 3.36Å; V5-V27 HydrophobicContact CG2-CG1 4.14Å; V5-C31 HydrophobicContact CB-CB 4.01Å; V5-C31 HydrophobicContact CG1-CB 4.4Å; V5-C31 HydrophobicContact CG2-CB 4.3Å; V5-A68 HydrophobicContact CG2-CB 3.74Å; V5-I82 HydrophobicContact CG1-CG2 4.08Å; V5-I82 HydrophobicContact CG2-CB 4.35Å; V5-I82 HydrophobicContact CG2-CG2 4.26Å; V5-I86 HydrophobicContact CG1-CD1 4.11Å; V5-L159 WeakPolarHBondContact O-CD1 3.43Å
6	C	88.9	Confident	81.8	Confident	4 Å²	4	62.6 Å²	62.6	3%	0.027	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-10.1	-176.9	71.2	0	0	0	0	115.5	C3 L8 H28 C31 L159 A161 I170	C3-C6 VanDerWaalsContact SG-SG 3.65Å; C6-L8 HydrophobicContact CB-CG 4.3Å; C6-L8 PolarHBondContact O-N 3.18Å; C6-L8 VanDerWaalsContact O-N 3.14Å; C6-H28 PolarHBondContact SG-CE1 3.47Å; C6-H28 PolarHBondContact SG-ND1 2.99Å; C6-C31 VanDerWaalsContact SG-SG 3.69Å; C6-L159 HydrophobicContact CB-CB 4.46Å; C6-L159 HydrophobicContact CB-CD1 4.22Å; C6-A161 HydrophobicContact CB-CB 4.27Å; C6-I170 HydrophobicContact CB-CD1 4.18Å
7	S	86.7	Confident	82.2	Confident	65 Å²	65	59.7 Å²	59.7	46%	0.455	31%	0.314	S	S	.	.			trans	60.2	13.1	-175.7	-54.6	0	0	0	0	115.6	R2 C3	R2-S7 WeakPolarHBondContact CD-O 3.48Å; C3-S7 WeakPolarHBondContact O-CA 3.49Å; C3-S7 PolarHBondContact O-N 2.97Å
8	L	84.7	Confident	82.6	Confident	42 Å²	42	56.9 Å²	56.9	22%	0.22	30%	0.3	C	S	.	.			trans	-87.3	156.3	175.7	-56	-177.9	0	0	0	112.3	R2 C3 C6 A161 T162	R2-L8 WeakPolarHBondContact CA-O 3.49Å; C3-L8 PolarHBondContact N-O 3.42Å; C3-L8 VanDerWaalsContact N-O 3.07Å; C6-L8 HydrophobicContact CB-CG 4.3Å; C6-L8 PolarHBondContact O-N 3.18Å; C6-L8 VanDerWaalsContact O-N 3.14Å; L8-A161 HydrophobicContact CD1-CB 4.02Å; L8-T162 HydrophobicContact CD1-CG2 4Å
9	E	82.9	Confident	83.1	Confident	113 Å²	113	59.3 Å²	59.3	53%	0.528	31%	0.307	S	S	.	.			trans	-103.7	-16.5	175.4	-64.9	-175	-145.8	0	0	113.6	R2	R2-E9 HydrophobicContact CG-CG 3.75Å; R2-E9 IonicContact CZ-OE1 3.27Å; R2-E9 IonicContact NE-OE1 3.43Å; R2-E9 PolarHBondContact NE-OE1 3.4Å; R2-E9 IonicContact NH2-OE1 3.72Å; R2-E9 PolarHBondContact NH2-OE1 3.33Å
10	F	70.5	Confident	83.6	Confident	104 Å²	104	56.9 Å²	56.9	46%	0.456	30%	0.296	S	S	.	.			trans	-63.7	152	-177.5	179.2	-101.7	0	0	0	112.2	N12 H28 A164	F10-N12 HydrophobicContact CE1-CB 4.19Å; F10-H28 PolarHBondContact O-NE2 3.28Å; F10-A164 HydrophobicContact CE1-CB 4.1Å; F10-A164 HydrophobicContact CZ-CB 4.5Å
11	Q	67	Low	83.9	Confident	105 Å²	105	56.5 Å²	56.5	49%	0.491	31%	0.306	S	S	.	.			trans	-143.8	121.4	-179.3	179.6	169.2	-4.1	0	0	110.4	L17	Q11-L17 HydrophobicContact CG-CB 4.41Å
12	N	70.4	Confident	84.4	Confident	32 Å²	32	55.1 Å²	55.1	17%	0.171	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-97	142.2	166.5	-171.7	-48.9	0	0	0	108.8	F10 S14 N15 S16 A164	F10-N12 HydrophobicContact CE1-CB 4.19Å; N12-S14 PolarHBondContact O-N 3.04Å; N12-S14 PolarHBondContact OD1-N 2.71Å; N12-S14 PolarHBondContact OD1-OG 2.98Å; N12-S14 VanDerWaalsContact OD1-OG 3.14Å; N12-N15 CarbonylContact O-C 3.58Å; N12-N15 PolarHBondContact O-N 3.07Å; N12-S16 PolarHBondContact O-N 3.32Å; N12-A164 PolarHBondContact ND2-O 3.14Å
13	P	73.4	Confident	84.5	Confident	125 Å²	125	50.5 Å²	50.5	81%	0.812	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.1	-37.9	165.1	-32.5	36.2	0	0	0	115.9
14	S	75.3	Confident	84.5	Confident	41 Å²	41	58.3 Å²	58.3	29%	0.287	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-17.1	178.7	69.2	0	0	0	0	114.7	N12 N165	N12-S14 PolarHBondContact O-N 3.04Å; N12-S14 PolarHBondContact OD1-N 2.71Å; N12-S14 PolarHBondContact OD1-OG 2.98Å; N12-S14 VanDerWaalsContact OD1-OG 3.14Å; S14-N165 PolarHBondContact OG-O 2.98Å
15	N	80	Confident	84.5	Confident	22 Å²	22	56.5 Å²	56.5	12%	0.118	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-137.8	62.3	-176.3	-159.2	-16.3	0	0	0	109.3	N12 H28 G30 T166	N12-N15 CarbonylContact O-C 3.58Å; N12-N15 PolarHBondContact O-N 3.07Å; N15-H28 WeakPolarHBondContact OD1-CB 3.26Å; N15-G30 PolarHBondContact OD1-N 3.42Å; N15-T166 PolarHBondContact ND2-O 2.88Å
16	S	85.5	Confident	84.5	Confident	26 Å²	26	57.5 Å²	57.5	18%	0.182	32%	0.323	C	S	.	.			trans	-65.7	154.5	-169.8	65.2	0	0	0	0	113.2	N12 I18 H28 Q29	N12-S16 PolarHBondContact O-N 3.32Å; S16-I18 WeakPolarHBondContact OG-CG2 3.46Å; S16-H28 CarbonylContact O-C 3.5Å; S16-H28 VanDerWaalsContact O-CA 3.31Å; S16-H28 WeakPolarHBondContact O-CA 3.36Å; S16-Q29 PolarHBondContact O-N 3.47Å; S16-Q29 PolarHBondContact OG-OE1 3.04Å; S16-Q29 VanDerWaalsContact OG-OE1 3.09Å
17	L	88.4	Confident	84.7	Confident	14 Å²	14	57.3 Å²	57.3	7%	0.073	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	114	173	-166.7	76.5	0	0	0	109	M1 C3 Q11 F19 I26	M1-L17 HydrophobicContact CB-CD2 3.91Å; C3-L17 HydrophobicContact CB-CD1 3.81Å; Q11-L17 HydrophobicContact CG-CB 4.41Å; L17-F19 HydrophobicContact CD2-CE2 4.43Å; L17-F19 HydrophobicContact CD2-CZ 3.96Å; L17-F19 HydrophobicContact CG-CE2 4.45Å; L17-F19 HydrophobicContact CG-CZ 4.4Å; L17-F19 WeakPolarHBondContact O-CE2 3.48Å; L17-I26 HydrophobicContact CD1-CG2 3.99Å; L17-I26 HydrophobicContact CD2-CG2 3.81Å; L17-I26 HydrophobicContact CG-CG2 3.75Å
18	I	89.6	Confident	84.8	Confident	10 Å²	10	54.9 Å²	54.9	5%	0.051	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	147.2	-172.5	67	175.7	0	0	0	111.6	S16 I26 V27 V34 L37 W43	S16-I18 WeakPolarHBondContact OG-CG2 3.46Å; I18-I26 WeakPolarHBondContact O-CA 3.49Å; I18-V27 HydrophobicContact CD1-CG2 4.07Å; I18-V27 HydrophobicContact CG1-CG2 3.64Å; I18-V27 WeakPolarHBondContact CG1-O 3.43Å; I18-V27 PolarHBondContact N-O 2.8Å; I18-V27 PolarHBondContact O-N 2.92Å; I18-V34 HydrophobicContact CD1-CB 4.28Å; I18-V34 HydrophobicContact CD1-CG2 3.84Å; I18-L37 HydrophobicContact CB-CD1 4.49Å; I18-L37 HydrophobicContact CG2-CD1 3.76Å; I18-W43 HydrophobicContact CB-CE3 4.29Å; I18-W43 HydrophobicContact CD1-CD2 3.77Å; I18-W43 HydrophobicContact CD1-CE3 3.94Å; I18-W43 HydrophobicContact CD1-CG 4.41Å; I18-W43 HydrophobicContact CD1-CH2 3.91Å; I18-W43 HydrophobicContact CD1-CZ2 3.74Å; I18-W43 HydrophobicContact CD1-CZ3 4.01Å; I18-W43 HydrophobicContact CG1-CD2 4.29Å; I18-W43 HydrophobicContact CG1-CE3 3.97Å; I18-W43 HydrophobicContact CG1-CH2 4.22Å; I18-W43 HydrophobicContact CG1-CZ3 3.93Å
19	F	92.1	Very high	85	Confident	102 Å²	102	53.8 Å²	53.8	45%	0.447	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.1	-170	-61.1	-99.4	0	0	0	109.7	M1 L17 I26	M1-F19 HydrophobicContact CB-CE1 4.19Å; M1-F19 HydrophobicContact CB-CZ 4.23Å; M1-F19 HydrophobicContact CE-CE1 4.44Å; M1-F19 HydrophobicContact CG-CE1 3.98Å; M1-F19 HydrophobicContact CG-CZ 4.28Å; L17-F19 HydrophobicContact CD2-CE2 4.43Å; L17-F19 HydrophobicContact CD2-CZ 3.96Å; L17-F19 HydrophobicContact CG-CE2 4.45Å; L17-F19 HydrophobicContact CG-CZ 4.4Å; L17-F19 WeakPolarHBondContact O-CE2 3.48Å; F19-I26 HydrophobicContact CD1-CB 4.39Å; F19-I26 HydrophobicContact CD1-CD1 4.1Å; F19-I26 HydrophobicContact CD1-CG1 3.78Å; F19-I26 HydrophobicContact CD1-CG2 3.92Å; F19-I26 HydrophobicContact CE1-CB 4.46Å; F19-I26 HydrophobicContact CE1-CD1 3.89Å; F19-I26 HydrophobicContact CE1-CG1 3.99Å; F19-I26 HydrophobicContact CE1-CG2 3.66Å; F19-I26 HydrophobicContact CZ-CG2 4.1Å
20	C	93.3	Very high	85.2	Confident	11 Å²	11	48.5 Å²	48.5	7%	0.074	27%	0.272	C	S	.	.			trans	-77.5	124.4	176.9	179.1	0	0	0	0	110.9	N22 C23 T25 W43 C45	C20-N22 PolarHBondContact O-N 2.9Å; C20-N22 VanDerWaalsContact O-N 3.09Å; C20-C23 PolarHBondContact O-N 2.7Å; C20-T25 PolarHBondContact N-O 3.29Å; C20-T25 VanDerWaalsContact N-O 3.09Å; C20-W43 WeakPolarHBondContact CA-O 3.24Å; C20-W43 HydrophobicContact CB-CE3 4.21Å; C20-W43 HydrophobicContact CB-CZ3 4.02Å; C20-C45 HydrophobicContact CB-CB 4.23Å; C20-C45 PolarHBondContact SG-N 2.96Å; C20-C45 VanDerWaalsContact SG-SG 3.65Å
21	G	89.8	Confident	86.1	Confident	49 Å²	49	43.6 Å²	43.6	51%	0.505	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.6	-179.1	0	0	0	0	0	115.2	W43	G21-W43 PolarHBondContact N-O 3.46Å
22	N	89.7	Confident	87.3	Confident	113 Å²	113	38.8 Å²	38.8	60%	0.604	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-4.1	-176.4	-75.4	1.7	0	0	0	114.6	C20 F44 C48	C20-N22 PolarHBondContact O-N 2.9Å; C20-N22 VanDerWaalsContact O-N 3.09Å; N22-F44 HydrophobicContact CB-CD1 4.09Å; N22-F44 HydrophobicContact CB-CE1 4.23Å; N22-F44 WeakPolarHBondContact OD1-CE1 3.45Å; N22-C48 HydrophobicContact CB-CB 3.88Å
23	C	91.4	Very high	88.2	Confident	35 Å²	35	37.8 Å²	37.8	24%	0.236	23%	0.225	C	C	.	.	S	Bend	trans	-161.9	165.1	178	73.8	0	0	0	0	113.5	C20 T25 C45 C48	C20-C23 PolarHBondContact O-N 2.7Å; C23-T25 PolarHBondContact O-N 3Å; C23-T25 PolarHBondContact SG-OG1 3.26Å; C23-C45 VanDerWaalsContact SG-SG 3.61Å; C23-C48 PolarHBondContact SG-SG 3.43Å
24	N	90.1	Very high	88.8	Confident	164 Å²	164	32.9 Å²	32.9	88%	0.877	19%	0.193	S	C	*	.	S	Bend	trans	-71.8	22.9	-176.4	-55.4	-6.9	0	0	0	114.7	I26	N24-I26 PolarHBondContact O-N 2.97Å
25	T	93	Very high	88.9	Confident	7 Å²	7	36.7 Å²	36.7	4%	0.043	21%	0.207	C	C	.	.			trans	-76.7	115.2	172.5	-62.4	0	0	0	0	109.6	C20 C23 V27 C45 G67	C20-T25 PolarHBondContact N-O 3.29Å; C20-T25 VanDerWaalsContact N-O 3.09Å; C23-T25 PolarHBondContact O-N 3Å; C23-T25 PolarHBondContact SG-OG1 3.26Å; T25-V27 HydrophobicContact CG2-CG1 4.01Å; T25-C45 HydrophobicContact CG2-CB 4.11Å; T25-G67 PolarHBondContact OG1-O 2.83Å
26	I	92.6	Very high	88.4	Confident	24 Å²	24	43.4 Å²	43.4	12%	0.123	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.9	175.7	-49.3	173.1	0	0	0	107.1	M1 C3 C4 L17 I18 F19 N24	M1-I26 HydrophobicContact CB-CD1 4.35Å; M1-I26 HydrophobicContact CE-CD1 3.7Å; M1-I26 HydrophobicContact CG-CD1 4.27Å; M1-I26 HydrophobicContact SD-CD1 3.68Å; C3-I26 CarbonylContact C-O 3.53Å; C3-I26 WeakPolarHBondContact CA-O 3.48Å; C4-I26 PolarHBondContact N-O 3.28Å; C4-I26 PolarHBondContact SG-O 3.24Å; C4-I26 VanDerWaalsContact SG-O 3.41Å; L17-I26 HydrophobicContact CD1-CG2 3.99Å; L17-I26 HydrophobicContact CD2-CG2 3.81Å; L17-I26 HydrophobicContact CG-CG2 3.75Å; I18-I26 WeakPolarHBondContact O-CA 3.49Å; F19-I26 HydrophobicContact CD1-CB 4.39Å; F19-I26 HydrophobicContact CD1-CD1 4.1Å; F19-I26 HydrophobicContact CD1-CG1 3.78Å; F19-I26 HydrophobicContact CD1-CG2 3.92Å; F19-I26 HydrophobicContact CE1-CB 4.46Å; F19-I26 HydrophobicContact CE1-CD1 3.89Å; F19-I26 HydrophobicContact CE1-CG1 3.99Å; F19-I26 HydrophobicContact CE1-CG2 3.66Å; F19-I26 HydrophobicContact CZ-CG2 4.1Å; N24-I26 PolarHBondContact O-N 2.97Å
27	V	92.1	Very high	87.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.4	-176.2	-68	0	0	0	0	110.8	V5 I18 T25 Y32 W43 A68	V5-V27 HydrophobicContact CG2-CG1 4.14Å; I18-V27 HydrophobicContact CD1-CG2 4.07Å; I18-V27 HydrophobicContact CG1-CG2 3.64Å; I18-V27 WeakPolarHBondContact CG1-O 3.43Å; I18-V27 PolarHBondContact N-O 2.8Å; I18-V27 PolarHBondContact O-N 2.92Å; T25-V27 HydrophobicContact CG2-CG1 4.01Å; V27-Y32 HydrophobicContact CG1-CD2 4.18Å; V27-Y32 HydrophobicContact CG2-CD2 4.13Å; V27-Y32 HydrophobicContact CG2-CG 4.05Å; V27-W43 HydrophobicContact CG2-CH2 3.68Å; V27-W43 HydrophobicContact CG2-CZ3 4.06Å; V27-A68 HydrophobicContact CG1-CB 3.83Å
28	H	89.3	Confident	86.4	Confident	13 Å²	13	49.5 Å²	49.5	6%	0.06	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	151.9	160.6	-60	97.3	0	0	0	110.7	C3 C6 F10 N15 S16 G30 C31 Y32	C3-H28 VanDerWaalsContact CB-CE1 3.42Å; C3-H28 WeakPolarHBondContact CB-CE1 3.43Å; C3-H28 WeakPolarHBondContact CB-ND1 3.33Å; C3-H28 PolarHBondContact SG-N 3.34Å; C3-H28 VanDerWaalsContact SG-N 3.41Å; C3-H28 PolarHBondContact SG-ND1 3.5Å; C6-H28 PolarHBondContact SG-CE1 3.47Å; C6-H28 PolarHBondContact SG-ND1 2.99Å; F10-H28 PolarHBondContact O-NE2 3.28Å; N15-H28 WeakPolarHBondContact OD1-CB 3.26Å; S16-H28 CarbonylContact O-C 3.5Å; S16-H28 VanDerWaalsContact O-CA 3.31Å; S16-H28 WeakPolarHBondContact O-CA 3.36Å; H28-G30 PolarHBondContact O-N 3.08Å; H28-C31 HydrophobicContact CB-CB 3.85Å; H28-C31 WeakPolarHBondContact O-CA 3.3Å; H28-C31 WeakPolarHBondContact O-CB 3.48Å; H28-C31 PolarHBondContact O-N 3.47Å; H28-Y32 PolarHBondContact O-N 3.03Å
29	Q	88.1	Confident	85.2	Confident	19 Å²	19	53.5 Å²	53.5	9%	0.089	31%	0.312	C	S	.	.	H	α-helix	trans	-48.7	-53.2	173.6	-176.1	170.5	-17.7	0	0	112.2	S16 Y32 G33 V34 Q35	S16-Q29 PolarHBondContact O-N 3.47Å; S16-Q29 PolarHBondContact OG-OE1 3.04Å; S16-Q29 VanDerWaalsContact OG-OE1 3.09Å; Q29-Y32 PolarHBondContact O-N 3.48Å; Q29-G33 PolarHBondContact O-N 3.37Å; Q29-G33 VanDerWaalsContact O-N 3.12Å; Q29-V34 HydrophobicContact CG-CB 4.09Å; Q29-V34 HydrophobicContact CG-CG1 4.41Å; Q29-V34 WeakPolarHBondContact CG-O 3.38Å; Q29-V34 PolarHBondContact NE2-O 3.4Å; Q29-V34 PolarHBondContact O-N 2.98Å; Q29-Q35 PolarHBondContact NE2-O 2.92Å
30	G	87.3	Confident	84.2	Confident	2 Å²	2	53.1 Å²	53.1	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-76.4	-15.5	174.8	0	0	0	0	0	115.1	N15 H28 Y32 S169 I170	N15-G30 PolarHBondContact OD1-N 3.42Å; H28-G30 PolarHBondContact O-N 3.08Å; G30-Y32 PolarHBondContact O-N 3.2Å; G30-S169 CarbonylContact O-C 3.28Å; G30-S169 VanDerWaalsContact O-CA 3.32Å; G30-S169 WeakPolarHBondContact O-CA 3.36Å; G30-I170 PolarHBondContact O-N 3.27Å
31	C	90.4	Very high	83	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.014	35%	0.352	C	S	.	.	H	α-helix	trans	-73.1	-16.3	169.8	-78.5	0	0	0	0	113.1	C3 V5 C6 H28 I170	C3-C31 PolarHBondContact SG-SG 3.48Å; V5-C31 HydrophobicContact CB-CB 4.01Å; V5-C31 HydrophobicContact CG1-CB 4.4Å; V5-C31 HydrophobicContact CG2-CB 4.3Å; C6-C31 VanDerWaalsContact SG-SG 3.69Å; H28-C31 HydrophobicContact CB-CB 3.85Å; H28-C31 WeakPolarHBondContact O-CA 3.3Å; H28-C31 WeakPolarHBondContact O-CB 3.48Å; H28-C31 PolarHBondContact O-N 3.47Å; C31-I170 HydrophobicContact CB-CD1 4.36Å; C31-I170 WeakPolarHBondContact SG-CD1 3.22Å
32	Y	91.9	Very high	82.6	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.016	35%	0.35	C	S	.	.	H	α-helix	trans	-120.6	-9.1	-176.1	-159.7	-96.8	0	0	0	113.4	V27 H28 Q29 G30 V34 W43 R46 A68 F69 K70 I82	V27-Y32 HydrophobicContact CG1-CD2 4.18Å; V27-Y32 HydrophobicContact CG2-CD2 4.13Å; V27-Y32 HydrophobicContact CG2-CG 4.05Å; H28-Y32 PolarHBondContact O-N 3.03Å; Q29-Y32 PolarHBondContact O-N 3.48Å; G30-Y32 PolarHBondContact O-N 3.2Å; Y32-V34 HydrophobicContact CD1-CG2 3.79Å; Y32-W43 HydrophobicContact CD1-CH2 4.18Å; Y32-W43 AromaticContact CD1-CZ2 3.68Å; Y32-W43 HydrophobicContact CD1-CZ2 3.68Å; Y32-W43 HydrophobicContact CE1-CH2 4.2Å; Y32-W43 AromaticContact CE1-CZ2 3.7Å; Y32-W43 HydrophobicContact CE1-CZ2 3.7Å; Y32-W43 HydrophobicContact CG-CH2 4.4Å; Y32-W43 HydrophobicContact CG-CZ2 4.31Å; Y32-R46 HydrophobicContact CE1-CG 4.16Å; Y32-R46 WeakPolarHBondContact OH-CB 3.43Å; Y32-R46 WeakPolarHBondContact OH-CG 3.45Å; Y32-R46 PolarHBondContact OH-N 3.28Å; Y32-A68 HydrophobicContact CD2-CB 3.96Å; Y32-A68 HydrophobicContact CE2-CB 3.94Å; Y32-F69 PolarHBondContact OH-O 3.16Å; Y32-K70 HydrophobicContact CE1-CD 4.2Å; Y32-K70 VanDerWaalsContact O-CE 3.29Å; Y32-K70 WeakPolarHBondContact O-CE 3.48Å; Y32-K70 PolarHBondContact O-NZ 3.38Å; Y32-I82 HydrophobicContact CD2-CD1 3.33Å; Y32-I82 HydrophobicContact CE2-CD1 3.64Å; Y32-I82 HydrophobicContact CG-CD1 4Å
33	G	88.4	Confident	82.6	Confident	10 Å²	10	57.8 Å²	57.8	10%	0.103	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	34.4	-177.2	0	0	0	0	0	113.7	Q29 Q35 T98 M99	Q29-G33 PolarHBondContact O-N 3.37Å; Q29-G33 VanDerWaalsContact O-N 3.12Å; G33-Q35 PolarHBondContact O-N 2.98Å; G33-T98 WeakPolarHBondContact CA-O 3.37Å; G33-T98 WeakPolarHBondContact O-CA 3.31Å; G33-M99 PolarHBondContact N-SD 2.81Å
34	V	87.6	Confident	82.7	Confident	22 Å²	22	59.7 Å²	59.7	13%	0.133	33%	0.332	C	S	.	.			trans	-88.2	104.8	176.1	178.5	0	0	0	0	108.9	I18 Q29 Y32 L37 W43	I18-V34 HydrophobicContact CD1-CB 4.28Å; I18-V34 HydrophobicContact CD1-CG2 3.84Å; Q29-V34 HydrophobicContact CG-CB 4.09Å; Q29-V34 HydrophobicContact CG-CG1 4.41Å; Q29-V34 WeakPolarHBondContact CG-O 3.38Å; Q29-V34 PolarHBondContact NE2-O 3.4Å; Q29-V34 PolarHBondContact O-N 2.98Å; Y32-V34 HydrophobicContact CD1-CG2 3.79Å; V34-L37 HydrophobicContact CG1-CD2 3.74Å; V34-L37 HydrophobicContact CG1-CG 4.05Å; V34-W43 HydrophobicContact CG2-CZ2 4.19Å
35	Q	75.9	Confident	82.8	Confident	122 Å²	122	52 Å²	52	57%	0.57	29%	0.291	S	S	*	.			trans	-69.9	-38.8	-171	-64.9	-178.7	-0.4	0	0	113.3	Q29 G33 S97	Q29-Q35 PolarHBondContact NE2-O 2.92Å; G33-Q35 PolarHBondContact O-N 2.98Å; Q35-S97 PolarHBondContact NE2-OG 3.36Å; Q35-S97 VanDerWaalsContact NE2-OG 3.12Å
36	K	69.7	Low	82.8	Confident	163 Å²	163	55.9 Å²	55.9	71%	0.709	31%	0.305	S	S	*	.			trans	-156.8	142.6	173	-155.5	177.2	178.3	178.5	0	111.2	T38	K36-T38 HydrophobicContact CD-CG2 3.63Å; K36-T38 HydrophobicContact CG-CG2 3.87Å
37	L	67.8	Low	82.8	Confident	75 Å²	75	55.5 Å²	55.5	39%	0.393	30%	0.303	S	S	.	.			trans	-100.5	110	165.4	-67.1	-178.2	0	0	0	109	I18 V34 W43	I18-L37 HydrophobicContact CB-CD1 4.49Å; I18-L37 HydrophobicContact CG2-CD1 3.76Å; V34-L37 HydrophobicContact CG1-CD2 3.74Å; V34-L37 HydrophobicContact CG1-CG 4.05Å; L37-W43 HydrophobicContact CD1-CB 4.5Å; L37-W43 HydrophobicContact CD2-CB 4.49Å; L37-W43 HydrophobicContact CD2-CG 4.26Å
38	T	64.4	Low	82.8	Confident	92 Å²	92	56.8 Å²	56.8	56%	0.564	31%	0.311	S	S	*	.			trans	-125	122.5	177.8	47.3	0	0	0	0	110.7	K36 V40	K36-T38 HydrophobicContact CD-CG2 3.63Å; K36-T38 HydrophobicContact CG-CG2 3.87Å; T38-V40 VanDerWaalsContact C-N 3.25Å; T38-V40 PolarHBondContact O-N 2.97Å
39	G	64.5	Low	83	Confident	94 Å²	94	61 Å²	61	97%	0.969	33%	0.331	S	S	*	.	S	Bend	trans	73.3	1.7	168.6	0	0	0	0	0	116.9
40	V	70.4	Confident	83	Confident	95 Å²	95	60.9 Å²	60.9	58%	0.576	33%	0.332	S	S	*	.			trans	-101	127.5	179	-169.8	0	0	0	0	110.1	T38 N42	T38-V40 VanDerWaalsContact C-N 3.25Å; T38-V40 PolarHBondContact O-N 2.97Å; V40-N42 VanDerWaalsContact CG1-O 3.25Å; V40-N42 WeakPolarHBondContact CG1-O 3.33Å
41	N	68.3	Low	82.8	Confident	146 Å²	146	67.6 Å²	67.6	78%	0.781	36%	0.363	S	S	*	.	S	Bend	trans	-75	-42.1	177.4	56.8	-2.9	0	0	0	112.8
42	N	82.8	Confident	82.6	Confident	88 Å²	88	69.5 Å²	69.5	47%	0.471	37%	0.374	S	S	.	.	S	Bend	trans	-120	113.5	-178.5	-68.1	-19.5	0	0	0	110.5	V40 F44	V40-N42 VanDerWaalsContact CG1-O 3.25Å; V40-N42 WeakPolarHBondContact CG1-O 3.33Å; N42-F44 HydrophobicContact CB-CE1 4.43Å; N42-F44 HydrophobicContact CB-CE2 4.14Å; N42-F44 HydrophobicContact CB-CZ 3.81Å; N42-F44 WeakPolarHBondContact O-CE2 3.37Å
43	W	89.7	Confident	82.4	Confident	37 Å²	37	79.3 Å²	79.3	14%	0.14	41%	0.411	C	S	.	.			trans	-77.8	145	170.7	177.8	73.4	0	0	0	111.2	I18 C20 G21 V27 Y32 V34 L37 C45	I18-W43 HydrophobicContact CB-CE3 4.29Å; I18-W43 HydrophobicContact CD1-CD2 3.77Å; I18-W43 HydrophobicContact CD1-CE3 3.94Å; I18-W43 HydrophobicContact CD1-CG 4.41Å; I18-W43 HydrophobicContact CD1-CH2 3.91Å; I18-W43 HydrophobicContact CD1-CZ2 3.74Å; I18-W43 HydrophobicContact CD1-CZ3 4.01Å; I18-W43 HydrophobicContact CG1-CD2 4.29Å; I18-W43 HydrophobicContact CG1-CE3 3.97Å; I18-W43 HydrophobicContact CG1-CH2 4.22Å; I18-W43 HydrophobicContact CG1-CZ3 3.93Å; C20-W43 WeakPolarHBondContact CA-O 3.24Å; C20-W43 HydrophobicContact CB-CE3 4.21Å; C20-W43 HydrophobicContact CB-CZ3 4.02Å; G21-W43 PolarHBondContact N-O 3.46Å; V27-W43 HydrophobicContact CG2-CH2 3.68Å; V27-W43 HydrophobicContact CG2-CZ3 4.06Å; Y32-W43 HydrophobicContact CD1-CH2 4.18Å; Y32-W43 AromaticContact CD1-CZ2 3.68Å; Y32-W43 HydrophobicContact CD1-CZ2 3.68Å; Y32-W43 HydrophobicContact CE1-CH2 4.2Å; Y32-W43 AromaticContact CE1-CZ2 3.7Å; Y32-W43 HydrophobicContact CE1-CZ2 3.7Å; Y32-W43 HydrophobicContact CG-CH2 4.4Å; Y32-W43 HydrophobicContact CG-CZ2 4.31Å; V34-W43 HydrophobicContact CG2-CZ2 4.19Å; L37-W43 HydrophobicContact CD1-CB 4.5Å; L37-W43 HydrophobicContact CD2-CB 4.49Å; L37-W43 HydrophobicContact CD2-CG 4.26Å; W43-C45 HydrophobicContact CH2-CB 3.58Å; W43-C45 HydrophobicContact CZ2-CB 4.07Å; W43-C45 HydrophobicContact CZ3-CB 4.05Å
44	F	91.7	Very high	82.2	Confident	75 Å²	75	83.1 Å²	83.1	33%	0.329	43%	0.427	S	S	.	.			trans	-125.6	135.2	172.9	-57	-70	0	0	0	110.2	N22 N42 E49	N22-F44 HydrophobicContact CB-CD1 4.09Å; N22-F44 HydrophobicContact CB-CE1 4.23Å; N22-F44 WeakPolarHBondContact OD1-CE1 3.45Å; N42-F44 HydrophobicContact CB-CE1 4.43Å; N42-F44 HydrophobicContact CB-CE2 4.14Å; N42-F44 HydrophobicContact CB-CZ 3.81Å; N42-F44 WeakPolarHBondContact O-CE2 3.37Å; F44-E49 HydrophobicContact CB-CB 4.49Å
45	C	93.7	Very high	82.1	Confident	1 Å²	1	86.6 Å²	86.6	1%	0.007	45%	0.453	C	S	.	.			trans	-72.6	155.2	171.9	71.7	0	0	0	0	110.3	C20 C23 T25 W43 K47 C48 E49	C20-C45 HydrophobicContact CB-CB 4.23Å; C20-C45 PolarHBondContact SG-N 2.96Å; C20-C45 VanDerWaalsContact SG-SG 3.65Å; C23-C45 VanDerWaalsContact SG-SG 3.61Å; T25-C45 HydrophobicContact CG2-CB 4.11Å; W43-C45 HydrophobicContact CH2-CB 3.58Å; W43-C45 HydrophobicContact CZ2-CB 4.07Å; W43-C45 HydrophobicContact CZ3-CB 4.05Å; C45-K47 PolarHBondContact O-N 3.43Å; C45-C48 PolarHBondContact O-N 2.99Å; C45-E49 PolarHBondContact O-N 2.84Å
46	R	92.3	Very high	82.7	Confident	89 Å²	89	88.5 Å²	88.5	34%	0.336	46%	0.459	S	S	.	.	H	α-helix	trans	-53.4	-26.9	-177.6	-60.6	-49.9	-165	-171	5.6	113.3	Y32 E49 S50 K70 W79 E100	Y32-R46 HydrophobicContact CE1-CG 4.16Å; Y32-R46 WeakPolarHBondContact OH-CB 3.43Å; Y32-R46 WeakPolarHBondContact OH-CG 3.45Å; Y32-R46 PolarHBondContact OH-N 3.28Å; R46-E49 WeakPolarHBondContact CD-OE2 3.4Å; R46-E49 IonicContact CZ-OE2 3.79Å; R46-E49 IonicContact NE-OE2 2.76Å; R46-E49 VanDerWaalsContact NH1-CD 3.26Å; R46-E49 IonicContact NH1-OE1 3.21Å; R46-E49 PolarHBondContact NH1-OE1 2.9Å; R46-E49 IonicContact NH1-OE2 2.78Å; R46-E49 PolarHBondContact NH1-OE2 3.37Å; R46-S50 VanDerWaalsContact O-CB 3.29Å; R46-S50 WeakPolarHBondContact O-CB 3.44Å; R46-S50 PolarHBondContact O-N 3.41Å; R46-S50 PolarHBondContact O-OG 3.49Å; R46-K70 HydrophobicContact CB-CD 4.47Å; R46-K70 HydrophobicContact CG-CD 3.73Å; R46-W79 HydrophobicContact CB-CH2 4.45Å; R46-W79 HydrophobicContact CB-CZ3 4.12Å; R46-W79 WeakPolarHBondContact O-CH2 3.28Å; R46-E100 IonicContact CZ-OE1 3.94Å; R46-E100 IonicContact NE-OE1 2.67Å; R46-E100 PolarHBondContact NE-OE1 3.5Å; R46-E100 IonicContact NH2-OE1 3.82Å; R46-E100 PolarHBondContact NH2-OE1 2.95Å; R46-E100 IonicContact NH2-OE2 2.69Å
47	K	92.8	Very high	83.8	Confident	17 Å²	17	80.9 Å²	80.9	7%	0.074	43%	0.426	C	S	.	.	H	α-helix	trans	-63.3	-37.5	175.3	-155.5	-160.6	-167.3	-170	0	113.1	C45 S50 M54 I57 K65 D66 F69	C45-K47 PolarHBondContact O-N 3.43Å; K47-S50 PolarHBondContact O-OG 3.32Å; K47-M54 HydrophobicContact CD-CE 4.32Å; K47-M54 HydrophobicContact CD-SD 3.53Å; K47-M54 VanDerWaalsContact CD-SD 3.53Å; K47-M54 WeakPolarHBondContact CE-SD 3.26Å; K47-M54 HydrophobicContact CG-CE 4.25Å; K47-M54 HydrophobicContact CG-SD 3.79Å; K47-M54 WeakPolarHBondContact O-CE 3.28Å; K47-I57 HydrophobicContact CG-CD1 3.88Å; K47-I57 HydrophobicContact CG-CG2 4.02Å; K47-I57 WeakPolarHBondContact O-CD1 3.5Å; K47-K65 PolarHBondContact NZ-O 3.44Å; K47-D66 IonicContact NZ-OD1 2.76Å; K47-F69 HydrophobicContact CB-CB 4.41Å; K47-F69 HydrophobicContact CD-CD2 3.72Å; K47-F69 HydrophobicContact CD-CE2 4Å; K47-F69 VanDerWaalsContact CE-CE2 3.47Å; K47-F69 HydrophobicContact CG-CB 4.47Å; K47-F69 HydrophobicContact CG-CD2 4.08Å; K47-F69 HydrophobicContact CG-CG 4.41Å
48	C	92.8	Very high	84.9	Confident	26 Å²	26	84 Å²	84	18%	0.176	43%	0.433	C	S	.	.	H	α-helix	trans	-96.9	-28	-177.9	-66.9	0	0	0	0	113	N22 C23 C45 S50	N22-C48 HydrophobicContact CB-CB 3.88Å; C23-C48 PolarHBondContact SG-SG 3.43Å; C45-C48 PolarHBondContact O-N 2.99Å; C48-S50 VanDerWaalsContact C-N 3.34Å
49	E	91.5	Very high	86.4	Confident	103 Å²	103	79.6 Å²	79.6	48%	0.481	41%	0.406	S	S	.	.	H	α-helix	trans	-69.2	-32.2	170.5	-176.9	-172.3	-142.8	0	0	111.5	F44 C45 R46 Q51	F44-E49 HydrophobicContact CB-CB 4.49Å; C45-E49 PolarHBondContact O-N 2.84Å; R46-E49 WeakPolarHBondContact CD-OE2 3.4Å; R46-E49 IonicContact CZ-OE2 3.79Å; R46-E49 IonicContact NE-OE2 2.76Å; R46-E49 VanDerWaalsContact NH1-CD 3.26Å; R46-E49 IonicContact NH1-OE1 3.21Å; R46-E49 PolarHBondContact NH1-OE1 2.9Å; R46-E49 IonicContact NH1-OE2 2.78Å; R46-E49 PolarHBondContact NH1-OE2 3.37Å; E49-Q51 PolarHBondContact O-N 2.68Å
50	S	88.2	Confident	87.7	Confident	15 Å²	15	78 Å²	78	11%	0.105	38%	0.375	C	S	.	.	S	Bend	trans	-68.4	127.8	174	74.7	0	0	0	0	111.4	R46 K47 C48 V52 I57	R46-S50 VanDerWaalsContact O-CB 3.29Å; R46-S50 WeakPolarHBondContact O-CB 3.44Å; R46-S50 PolarHBondContact O-N 3.41Å; R46-S50 PolarHBondContact O-OG 3.49Å; K47-S50 PolarHBondContact O-OG 3.32Å; C48-S50 VanDerWaalsContact C-N 3.34Å; S50-V52 PolarHBondContact O-N 2.85Å; S50-I57 WeakPolarHBondContact OG-CD1 3.48Å
51	Q	83.6	Confident	88.8	Confident	144 Å²	144	73.7 Å²	73.7	67%	0.673	35%	0.349	S	S	*	.			trans	-67.4	4.6	174	-53.9	179.2	15.6	0	0	113.3	E49	E49-Q51 PolarHBondContact O-N 2.68Å
52	V	86	Confident	90.1	Very high	42 Å²	42	66.8 Å²	66.8	26%	0.255	31%	0.312	S	S	.	.	S	Bend	trans	-74.4	126.5	179	-179	0	0	0	0	109.6	S50 M54 K56 I57	S50-V52 PolarHBondContact O-N 2.85Å; V52-M54 PolarHBondContact O-N 3.31Å; V52-M54 VanDerWaalsContact O-N 3.14Å; V52-K56 HydrophobicContact CG1-CB 4.07Å; V52-K56 HydrophobicContact CG1-CD 4.18Å; V52-K56 HydrophobicContact CG1-CG 4.42Å; V52-I57 HydrophobicContact CB-CD1 4.31Å; V52-I57 HydrophobicContact CB-CG1 4.26Å; V52-I57 HydrophobicContact CG1-CD1 4.48Å; V52-I57 HydrophobicContact CG1-CG1 3.91Å
53	R	87.5	Confident	90.7	Very high	209 Å²	209	63.6 Å²	63.6	79%	0.789	30%	0.296	S	S	*	.			trans	-47.6	122.2	174.9	-67.4	-177.1	176.5	93.4	-2.2	110.9	S55 K56	R53-S55 PolarHBondContact O-N 2.58Å; R53-K56 WeakPolarHBondContact O-CB 3.43Å; R53-K56 PolarHBondContact O-N 3.45Å
54	M	84.6	Confident	90.9	Very high	90 Å²	90	63.3 Å²	63.3	44%	0.443	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-28	-172.4	-168.4	60.5	60.9	0	0	114.5	K47 V52 I57	K47-M54 HydrophobicContact CD-CE 4.32Å; K47-M54 HydrophobicContact CD-SD 3.53Å; K47-M54 VanDerWaalsContact CD-SD 3.53Å; K47-M54 WeakPolarHBondContact CE-SD 3.26Å; K47-M54 HydrophobicContact CG-CE 4.25Å; K47-M54 HydrophobicContact CG-SD 3.79Å; K47-M54 WeakPolarHBondContact O-CE 3.28Å; V52-M54 PolarHBondContact O-N 3.31Å; V52-M54 VanDerWaalsContact O-N 3.14Å; M54-I57 HydrophobicContact SD-CD1 4.38Å
55	S	85.3	Confident	90.9	Very high	96 Å²	96	66.2 Å²	66.2	67%	0.671	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.4	176.6	55.5	0	0	0	0	115.3	R53 R58	R53-S55 PolarHBondContact O-N 2.58Å; S55-R58 PolarHBondContact O-NE 2.8Å; S55-R58 PolarHBondContact O-NH2 2.84Å
56	K	89.4	Confident	90.8	Very high	161 Å²	161	71.9 Å²	71.9	70%	0.7	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-28.2	173.9	-167.8	178.3	179.4	-174.8	0	111.7	V52 R53 R58	V52-K56 HydrophobicContact CG1-CB 4.07Å; V52-K56 HydrophobicContact CG1-CD 4.18Å; V52-K56 HydrophobicContact CG1-CG 4.42Å; R53-K56 WeakPolarHBondContact O-CB 3.43Å; R53-K56 PolarHBondContact O-N 3.45Å; K56-R58 PolarHBondContact O-N 3.37Å
57	I	91.6	Very high	90.8	Very high	3 Å²	3	68.6 Å²	68.6	2%	0.015	33%	0.334	C	S	.	.			trans	-73.1	119.8	178.8	-54.4	173.8	0	0	0	109.7	K47 S50 V52 M54 F69 W79	K47-I57 HydrophobicContact CG-CD1 3.88Å; K47-I57 HydrophobicContact CG-CG2 4.02Å; K47-I57 WeakPolarHBondContact O-CD1 3.5Å; S50-I57 WeakPolarHBondContact OG-CD1 3.48Å; V52-I57 HydrophobicContact CB-CD1 4.31Å; V52-I57 HydrophobicContact CB-CG1 4.26Å; V52-I57 HydrophobicContact CG1-CD1 4.48Å; V52-I57 HydrophobicContact CG1-CG1 3.91Å; M54-I57 HydrophobicContact SD-CD1 4.38Å; I57-F69 HydrophobicContact CG2-CD1 4.15Å; I57-F69 HydrophobicContact CG2-CE1 4.31Å; I57-F69 HydrophobicContact CG2-CG 4.48Å; I57-W79 HydrophobicContact CD1-CZ2 4.29Å; I57-W79 HydrophobicContact CG1-CZ2 4.47Å; I57-W79 HydrophobicContact CG2-CB 4.15Å; I57-W79 HydrophobicContact CG2-CD2 3.82Å; I57-W79 HydrophobicContact CG2-CE3 4.31Å; I57-W79 HydrophobicContact CG2-CG 3.75Å
58	R	92.8	Very high	90.8	Very high	141 Å²	141	68 Å²	68	53%	0.532	33%	0.332	S	S	.	.			trans	-147.4	150.5	-178.2	-56.4	177.5	-163.1	177.8	7.4	108.4	S55 K56 D60 W79	S55-R58 PolarHBondContact O-NE 2.8Å; S55-R58 PolarHBondContact O-NH2 2.84Å; K56-R58 PolarHBondContact O-N 3.37Å; R58-D60 PolarHBondContact O-N 2.96Å; R58-W79 WeakPolarHBondContact O-CB 3.25Å; R58-W79 VanDerWaalsContact O-O 3.12Å
59	C	94.8	Very high	90.9	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.323	C	S	.	.			trans	-77.5	123.7	174.8	-178.3	0	0	0	0	109.5	L61 C62 F69 W79 H81 Y130	C59-L61 PolarHBondContact O-N 3.44Å; C59-C62 PolarHBondContact O-N 3.04Å; C59-F69 HydrophobicContact CB-CE1 4.05Å; C59-W79 CarbonylContact C-O 3.59Å; C59-W79 VanDerWaalsContact CA-O 3.3Å; C59-W79 WeakPolarHBondContact CA-O 3.49Å; C59-H81 PolarHBondContact SG-N 2.88Å; C59-H81 VanDerWaalsContact SG-N 3.37Å; C59-Y130 VanDerWaalsContact O-CE1 3.29Å; C59-Y130 WeakPolarHBondContact O-CE1 3.28Å; C59-Y130 PolarHBondContact O-OH 3.29Å; C59-Y130 VanDerWaalsContact O-OH 3.05Å
60	D	92.2	Very high	91	Very high	61 Å²	61	62 Å²	62	33%	0.326	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.7	176.4	-59.8	-43.4	0	0	0	111.3	R58 S72 G78 W79 V104 G131	R58-D60 PolarHBondContact O-N 2.96Å; D60-S72 PolarHBondContact OD2-OG 3.2Å; D60-G78 WeakPolarHBondContact OD2-CA 3.43Å; D60-W79 PolarHBondContact N-O 2.95Å; D60-W79 PolarHBondContact OD2-N 2.82Å; D60-W79 VanDerWaalsContact OD2-O 3.1Å; D60-V104 HydrophobicContact CB-CG1 4.42Å; D60-G131 WeakPolarHBondContact O-CA 3.45Å
61	L	94	Very high	91.2	Very high	3 Å²	3	66 Å²	66	2%	0.016	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-17	-177.5	-58.4	166.4	0	0	0	115.2	C59 A80 C84 I88 V91 V104 V107 A132	C59-L61 PolarHBondContact O-N 3.44Å; L61-A80 HydrophobicContact CD1-CB 4.01Å; L61-C84 HydrophobicContact CB-CB 3.99Å; L61-C84 HydrophobicContact CD1-CB 3.74Å; L61-I88 HydrophobicContact CB-CD1 4.29Å; L61-I88 HydrophobicContact CD1-CD1 4.22Å; L61-I88 HydrophobicContact CD2-CD1 4.08Å; L61-I88 HydrophobicContact CG-CD1 4.43Å; L61-V91 HydrophobicContact CD1-CG2 4.25Å; L61-V91 HydrophobicContact CD2-CG2 4.34Å; L61-V104 HydrophobicContact CD1-CG2 4.47Å; L61-V104 HydrophobicContact CD2-CG1 3.94Å; L61-V104 HydrophobicContact CG-CG2 4.48Å; L61-V107 HydrophobicContact CD2-CG2 4.01Å; L61-A132 HydrophobicContact CD2-CB 4.02Å; L61-A132 PolarHBondContact O-N 2.78Å
62	C	95.2	Very high	91.6	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.007	29%	0.285	C	S	.	.			trans	-160.6	155.1	-174.9	76.1	0	0	0	0	114.1	C59 I64 H81 Y130 H146 S148	C59-C62 PolarHBondContact O-N 3.04Å; C62-I64 VanDerWaalsContact C-N 3.26Å; C62-I64 PolarHBondContact O-N 2.99Å; C62-H81 PolarHBondContact SG-ND1 2.9Å; C62-Y130 WeakPolarHBondContact O-CE1 3.42Å; C62-H146 HydrophobicContact CB-CB 4Å; C62-S148 VanDerWaalsContact CB-OG 3.31Å; C62-S148 WeakPolarHBondContact CB-OG 3.46Å; C62-S148 PolarHBondContact SG-OG 3.36Å
63	P	94.3	Very high	91.3	Very high	22 Å²	22	61 Å²	61	14%	0.143	29%	0.291	C	S	.	.	S	Bend	trans	-79.4	5	-173.5	32.6	-37.3	0	0	0	115.4	L127 Y130 H146	P63-L127 HydrophobicContact CB-CB 3.88Å; P63-L127 HydrophobicContact CB-CD1 4.21Å; P63-L127 HydrophobicContact CB-CD2 4.26Å; P63-L127 HydrophobicContact CB-CG 4.34Å; P63-L127 HydrophobicContact CG-CB 4.17Å; P63-Y130 HydrophobicContact CB-CD1 4.05Å; P63-Y130 HydrophobicContact CB-CG 4.17Å; P63-H146 VanDerWaalsContact CD-CE1 3.42Å; P63-H146 WeakPolarHBondContact CD-CE1 3.35Å; P63-H146 WeakPolarHBondContact CD-ND1 3.39Å
64	I	93.7	Very high	90.5	Very high	31 Å²	31	52 Å²	52	16%	0.159	26%	0.263	C	S	.	.			trans	-85.3	141.6	179.4	-63.6	-170.1	0	0	0	110	C62 H81 V152	C62-I64 VanDerWaalsContact C-N 3.26Å; C62-I64 PolarHBondContact O-N 2.99Å; I64-H81 PolarHBondContact O-CE1 3.09Å; I64-H81 VanDerWaalsContact O-CE1 3.26Å; I64-V152 HydrophobicContact CD1-CG2 4.23Å
65	K	92.6	Very high	89.7	Confident	136 Å²	136	54.3 Å²	54.3	59%	0.591	28%	0.282	S	S	*	.			trans	-102.7	-5.4	-174.4	-62.9	-178.4	-177.5	175.1	0	114.4	K47 F69	K47-K65 PolarHBondContact NZ-O 3.44Å; K65-F69 VanDerWaalsContact O-CE2 3.27Å; K65-F69 WeakPolarHBondContact O-CE2 3.42Å; K65-F69 VanDerWaalsContact O-CZ 3.29Å; K65-F69 WeakPolarHBondContact O-CZ 3.36Å
66	D	90.9	Very high	89.1	Confident	119 Å²	119	60.3 Å²	60.3	64%	0.636	29%	0.29	S	S	*	.			trans	-128.6	138.5	-166.8	-55.5	-60.6	0	0	0	111.2	K47 H81	K47-D66 IonicContact NZ-OD1 2.76Å; D66-H81 PolarHBondContact O-NE2 2.92Å
67	G	92	Very high	88.5	Confident	21 Å²	21	56.7 Å²	56.7	22%	0.216	28%	0.284	C	S	.	.	S	Bend	trans	142.1	-162.7	-173.1	0	0	0	0	0	112.2	T25	T25-G67 PolarHBondContact OG1-O 2.83Å
68	A	94.5	Very high	88.4	Confident	4 Å²	4	57.1 Å²	57.1	3%	0.033	29%	0.289	C	S	.	.			trans	-91.8	116.3	175.3	0	0	0	0	0	110.6	V5 V27 Y32 H81 I82	V5-A68 HydrophobicContact CG2-CB 3.74Å; V27-A68 HydrophobicContact CG1-CB 3.83Å; Y32-A68 HydrophobicContact CD2-CB 3.96Å; Y32-A68 HydrophobicContact CE2-CB 3.94Å; A68-H81 CarbonylContact O-C 3.52Å; A68-H81 VanDerWaalsContact O-CA 3.26Å; A68-H81 WeakPolarHBondContact O-CA 3.35Å; A68-I82 HydrophobicContact CB-CB 4.47Å; A68-I82 HydrophobicContact CB-CD1 4.26Å; A68-I82 HydrophobicContact CB-CG1 4.45Å; A68-I82 PolarHBondContact O-N 3.3Å
69	F	94.6	Very high	88.4	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.4	-178.4	-72.4	-94.6	0	0	0	112.6	Y32 K47 I57 C59 K65 W79 A80 H81	Y32-F69 PolarHBondContact OH-O 3.16Å; K47-F69 HydrophobicContact CB-CB 4.41Å; K47-F69 HydrophobicContact CD-CD2 3.72Å; K47-F69 HydrophobicContact CD-CE2 4Å; K47-F69 VanDerWaalsContact CE-CE2 3.47Å; K47-F69 HydrophobicContact CG-CB 4.47Å; K47-F69 HydrophobicContact CG-CD2 4.08Å; K47-F69 HydrophobicContact CG-CG 4.41Å; I57-F69 HydrophobicContact CG2-CD1 4.15Å; I57-F69 HydrophobicContact CG2-CE1 4.31Å; I57-F69 HydrophobicContact CG2-CG 4.48Å; C59-F69 HydrophobicContact CB-CE1 4.05Å; K65-F69 VanDerWaalsContact O-CE2 3.27Å; K65-F69 WeakPolarHBondContact O-CE2 3.42Å; K65-F69 VanDerWaalsContact O-CZ 3.29Å; K65-F69 WeakPolarHBondContact O-CZ 3.36Å; F69-W79 HydrophobicContact CB-CE3 3.99Å; F69-W79 HydrophobicContact CB-CZ3 4.42Å; F69-W79 HydrophobicContact CD1-CB 4.19Å; F69-A80 WeakPolarHBondContact CA-O 3.4Å; F69-H81 AromaticContact CD1-CD2 3.93Å; F69-H81 AromaticContact CD2-CD2 3.92Å; F69-H81 AromaticContact CE1-CD2 3.63Å; F69-H81 AromaticContact CE1-NE2 3.57Å; F69-H81 AromaticContact CE2-CD2 3.6Å; F69-H81 AromaticContact CE2-NE2 3.36Å; F69-H81 WeakPolarHBondContact CE2-NE2 3.3Å; F69-H81 AromaticContact CZ-CD2 3.47Å; F69-H81 VanDerWaalsContact CZ-CD2 3.47Å; F69-H81 WeakPolarHBondContact CZ-CD2 3.38Å; F69-H81 AromaticContact CZ-CE1 3.96Å; F69-H81 AromaticContact CZ-NE2 3.03Å; F69-H81 WeakPolarHBondContact CZ-NE2 3.46Å
70	K	93.9	Very high	88.4	Confident	4 Å²	4	51 Å²	51	2%	0.017	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	162.7	159.9	-66	-72	-169.4	78.8	0	108.9	Y32 R46 W79 A80 I82 T98 M99 E100 I102	Y32-K70 HydrophobicContact CE1-CD 4.2Å; Y32-K70 VanDerWaalsContact O-CE 3.29Å; Y32-K70 WeakPolarHBondContact O-CE 3.48Å; Y32-K70 PolarHBondContact O-NZ 3.38Å; R46-K70 HydrophobicContact CB-CD 4.47Å; R46-K70 HydrophobicContact CG-CD 3.73Å; K70-W79 VanDerWaalsContact C-CE3 3.49Å; K70-W79 WeakPolarHBondContact O-CA 3.22Å; K70-A80 PolarHBondContact N-O 3.27Å; K70-A80 PolarHBondContact O-N 3.2Å; K70-I82 HydrophobicContact CG-CD1 3.81Å; K70-I82 HydrophobicContact CG-CG1 3.83Å; K70-T98 PolarHBondContact NZ-O 3.38Å; K70-M99 WeakPolarHBondContact CG-O 3.45Å; K70-M99 PolarHBondContact NZ-O 3.22Å; K70-E100 HydrophobicContact CD-CG 4.22Å; K70-E100 IonicContact NZ-OE1 3.81Å; K70-I102 HydrophobicContact CB-CD1 3.83Å; K70-I102 HydrophobicContact CB-CG1 4.3Å
71	R	92.6	Very high	88.6	Confident	99 Å²	99	48.2 Å²	48.2	37%	0.374	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	142.3	175	-66.9	177.7	179.7	-98.4	13.3	110.1	G78 W79 I102	R71-G78 WeakPolarHBondContact CA-O 3.31Å; R71-W79 HydrophobicContact CG-CD2 4.27Å; R71-W79 HydrophobicContact CG-CE3 4.15Å; R71-W79 HydrophobicContact CG-CH2 3.91Å; R71-W79 HydrophobicContact CG-CZ2 4.01Å; R71-W79 HydrophobicContact CG-CZ3 3.98Å; R71-I102 PolarHBondContact O-N 2.99Å
72	S	90.1	Very high	88.6	Confident	8 Å²	8	48.1 Å²	48.1	6%	0.056	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	146.3	167.5	44.8	0	0	0	0	110.5	D60 G78 W79 I102	D60-S72 PolarHBondContact OD2-OG 3.2Å; S72-G78 PolarHBondContact N-O 3.47Å; S72-G78 VanDerWaalsContact N-O 3.1Å; S72-G78 WeakPolarHBondContact OG-CA 3.4Å; S72-G78 PolarHBondContact OG-N 3.23Å; S72-G78 PolarHBondContact OG-O 3.45Å; S72-W79 PolarHBondContact OG-N 3Å; S72-W79 VanDerWaalsContact OG-N 3.11Å; S72-I102 CarbonylContact C-O 3.58Å; S72-I102 WeakPolarHBondContact CA-O 3.47Å; S72-I102 WeakPolarHBondContact CB-O 3.37Å
73	N	80.7	Confident	88.5	Confident	73 Å²	73	48.6 Å²	48.6	39%	0.39	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.3	166.4	-166.7	9.3	0	0	0	108.9	L101 I102	N73-L101 HydrophobicContact CB-CB 4.22Å; N73-I102 PolarHBondContact N-O 3.49Å
74	G	70.3	Confident	88.6	Confident	20 Å²	20	47.6 Å²	47.6	21%	0.206	25%	0.247	C	C	.	.	S	Bend	trans	145	172.5	-179.9	0	0	0	0	0	113.1	R76 E105	G74-R76 CarbonylContact O-C 3.46Å; G74-R76 PolarHBondContact O-N 3.25Å; G74-E105 WeakPolarHBondContact CA-OE1 3.44Å
75	V	68.9	Low	88.5	Confident	137 Å²	137	46.1 Å²	46.1	83%	0.83	24%	0.239	S	C	*	.	S	Bend	trans	-60	-19.4	-175.5	-176.4	0	0	0	0	112.8	E105	V75-E105 PolarHBondContact N-OE1 2.87Å
76	R	71.5	Confident	88.5	Confident	223 Å²	223	40.1 Å²	40.1	84%	0.842	21%	0.214	S	C	*	.	S	Bend	trans	-112.1	120	168.6	-58.4	-177.4	-173.9	-143.7	-1.5	108.4	G74 G78	G74-R76 CarbonylContact O-C 3.46Å; G74-R76 PolarHBondContact O-N 3.25Å; R76-G78 PolarHBondContact O-N 2.91Å
77	C	76.4	Confident	88.6	Confident	85 Å²	85	35 Å²	35	57%	0.574	19%	0.186	S	C	*	.			trans	-69.6	73	176.2	-49.2	0	0	0	0	111.4
78	G	89.5	Confident	88.6	Confident	12 Å²	12	34.1 Å²	34.1	12%	0.124	18%	0.176	C	C	.	.			trans	-86.8	-159	-177.3	0	0	0	0	0	113.1	D60 R71 S72 R76	D60-G78 WeakPolarHBondContact OD2-CA 3.43Å; R71-G78 WeakPolarHBondContact CA-O 3.31Å; S72-G78 PolarHBondContact N-O 3.47Å; S72-G78 VanDerWaalsContact N-O 3.1Å; S72-G78 WeakPolarHBondContact OG-CA 3.4Å; S72-G78 PolarHBondContact OG-N 3.23Å; S72-G78 PolarHBondContact OG-O 3.45Å; R76-G78 PolarHBondContact O-N 2.91Å
79	W	93.7	Very high	88.3	Confident	12 Å²	12	37 Å²	37	5%	0.045	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	145	-179.9	-66.3	83.3	0	0	0	110.6	R46 I57 R58 C59 D60 F69 K70 R71 S72	R46-W79 HydrophobicContact CB-CH2 4.45Å; R46-W79 HydrophobicContact CB-CZ3 4.12Å; R46-W79 WeakPolarHBondContact O-CH2 3.28Å; I57-W79 HydrophobicContact CD1-CZ2 4.29Å; I57-W79 HydrophobicContact CG1-CZ2 4.47Å; I57-W79 HydrophobicContact CG2-CB 4.15Å; I57-W79 HydrophobicContact CG2-CD2 3.82Å; I57-W79 HydrophobicContact CG2-CE3 4.31Å; I57-W79 HydrophobicContact CG2-CG 3.75Å; R58-W79 WeakPolarHBondContact O-CB 3.25Å; R58-W79 VanDerWaalsContact O-O 3.12Å; C59-W79 CarbonylContact C-O 3.59Å; C59-W79 VanDerWaalsContact CA-O 3.3Å; C59-W79 WeakPolarHBondContact CA-O 3.49Å; D60-W79 PolarHBondContact N-O 2.95Å; D60-W79 PolarHBondContact OD2-N 2.82Å; D60-W79 VanDerWaalsContact OD2-O 3.1Å; F69-W79 HydrophobicContact CB-CE3 3.99Å; F69-W79 HydrophobicContact CB-CZ3 4.42Å; F69-W79 HydrophobicContact CD1-CB 4.19Å; K70-W79 VanDerWaalsContact C-CE3 3.49Å; K70-W79 WeakPolarHBondContact O-CA 3.22Å; R71-W79 HydrophobicContact CG-CD2 4.27Å; R71-W79 HydrophobicContact CG-CE3 4.15Å; R71-W79 HydrophobicContact CG-CH2 3.91Å; R71-W79 HydrophobicContact CG-CZ2 4.01Å; R71-W79 HydrophobicContact CG-CZ3 3.98Å; S72-W79 PolarHBondContact OG-N 3Å; S72-W79 VanDerWaalsContact OG-N 3.11Å
80	A	94.6	Very high	88	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	150.9	173.6	0	0	0	0	0	110.9	L61 F69 K70 I102 V104	L61-A80 HydrophobicContact CD1-CB 4.01Å; F69-A80 WeakPolarHBondContact CA-O 3.4Å; K70-A80 PolarHBondContact N-O 3.27Å; K70-A80 PolarHBondContact O-N 3.2Å; A80-I102 HydrophobicContact CB-CB 4.28Å; A80-I102 HydrophobicContact CB-CD1 3.7Å; A80-I102 HydrophobicContact CB-CG2 3.95Å; A80-V104 HydrophobicContact CB-CG2 4.31Å
81	H	95.6	Very high	87.8	Confident	3 Å²	3	38.4 Å²	38.4	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	138.3	167.6	-66.9	133.1	0	0	0	110.1	C59 C62 I64 D66 A68 F69 V83 C84 A85	C59-H81 PolarHBondContact SG-N 2.88Å; C59-H81 VanDerWaalsContact SG-N 3.37Å; C62-H81 PolarHBondContact SG-ND1 2.9Å; I64-H81 PolarHBondContact O-CE1 3.09Å; I64-H81 VanDerWaalsContact O-CE1 3.26Å; D66-H81 PolarHBondContact O-NE2 2.92Å; A68-H81 CarbonylContact O-C 3.52Å; A68-H81 VanDerWaalsContact O-CA 3.26Å; A68-H81 WeakPolarHBondContact O-CA 3.35Å; F69-H81 AromaticContact CD1-CD2 3.93Å; F69-H81 AromaticContact CD2-CD2 3.92Å; F69-H81 AromaticContact CE1-CD2 3.63Å; F69-H81 AromaticContact CE1-NE2 3.57Å; F69-H81 AromaticContact CE2-CD2 3.6Å; F69-H81 AromaticContact CE2-NE2 3.36Å; F69-H81 WeakPolarHBondContact CE2-NE2 3.3Å; F69-H81 AromaticContact CZ-CD2 3.47Å; F69-H81 VanDerWaalsContact CZ-CD2 3.47Å; F69-H81 WeakPolarHBondContact CZ-CD2 3.38Å; F69-H81 AromaticContact CZ-CE1 3.96Å; F69-H81 AromaticContact CZ-NE2 3.03Å; F69-H81 WeakPolarHBondContact CZ-NE2 3.46Å; H81-V83 VanDerWaalsContact C-N 3.25Å; H81-V83 HydrophobicContact CB-CG1 4.11Å; H81-V83 PolarHBondContact O-N 3.01Å; H81-C84 HydrophobicContact CB-CB 4.03Å; H81-C84 PolarHBondContact O-N 3.47Å; H81-A85 PolarHBondContact O-N 3.39Å
82	I	94.3	Very high	87.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-55.7	-43.1	172.3	-64	-176.3	0	0	0	110.5	V5 Y32 A68 K70 C84 A85 I86 F93 M99	V5-I82 HydrophobicContact CG1-CG2 4.08Å; V5-I82 HydrophobicContact CG2-CB 4.35Å; V5-I82 HydrophobicContact CG2-CG2 4.26Å; Y32-I82 HydrophobicContact CD2-CD1 3.33Å; Y32-I82 HydrophobicContact CE2-CD1 3.64Å; Y32-I82 HydrophobicContact CG-CD1 4Å; A68-I82 HydrophobicContact CB-CB 4.47Å; A68-I82 HydrophobicContact CB-CD1 4.26Å; A68-I82 HydrophobicContact CB-CG1 4.45Å; A68-I82 PolarHBondContact O-N 3.3Å; K70-I82 HydrophobicContact CG-CD1 3.81Å; K70-I82 HydrophobicContact CG-CG1 3.83Å; I82-C84 PolarHBondContact O-N 3.47Å; I82-A85 PolarHBondContact O-N 3.42Å; I82-I86 HydrophobicContact CG2-CD1 3.6Å; I82-I86 HydrophobicContact CG2-CG1 4.42Å; I82-I86 VanDerWaalsContact O-CG1 3.3Å; I82-I86 WeakPolarHBondContact O-CG1 3.45Å; I82-I86 PolarHBondContact O-N 3.16Å; I82-F93 HydrophobicContact CG2-CE1 4.48Å; I82-F93 HydrophobicContact CG2-CZ 4.13Å; I82-M99 HydrophobicContact CG2-CE 3.57Å
83	V	94.2	Very high	87.6	Confident	12 Å²	12	37.2 Å²	37.2	7%	0.073	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-37.3	177.2	73.5	0	0	0	0	112.5	H81 I86 Y87 V147 L156	H81-V83 VanDerWaalsContact C-N 3.25Å; H81-V83 HydrophobicContact CB-CG1 4.11Å; H81-V83 PolarHBondContact O-N 3.01Å; V83-I86 PolarHBondContact O-N 2.84Å; V83-Y87 HydrophobicContact CG2-CD2 3.97Å; V83-Y87 HydrophobicContact CG2-CE2 3.8Å; V83-Y87 WeakPolarHBondContact O-CD2 3.41Å; V83-Y87 PolarHBondContact O-N 2.79Å; V83-V147 HydrophobicContact CG2-CG1 4.13Å; V83-V147 WeakPolarHBondContact O-CG1 3.48Å; V83-L156 HydrophobicContact CG2-CD1 4.26Å
84	C	94.9	Very high	87.9	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.007	20%	0.202	C	C	.	.	H	α-helix	trans	-67.8	-37.3	176.3	-68.8	0	0	0	0	112	L61 H81 I82 I86 I88	L61-C84 HydrophobicContact CB-CB 3.99Å; L61-C84 HydrophobicContact CD1-CB 3.74Å; H81-C84 HydrophobicContact CB-CB 4.03Å; H81-C84 PolarHBondContact O-N 3.47Å; I82-C84 PolarHBondContact O-N 3.47Å; C84-I86 VanDerWaalsContact C-N 3.32Å; C84-I88 WeakPolarHBondContact O-CG1 3.45Å; C84-I88 PolarHBondContact O-N 3.46Å
85	A	93.2	Very high	88.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.3	-33.8	176.6	0	0	0	0	0	113	H81 I82 V91 F93 I102	H81-A85 PolarHBondContact O-N 3.39Å; I82-A85 PolarHBondContact O-N 3.42Å; A85-V91 HydrophobicContact CB-CG1 3.55Å; A85-F93 HydrophobicContact CB-CE1 4.16Å; A85-F93 HydrophobicContact CB-CE2 4.19Å; A85-F93 HydrophobicContact CB-CZ 3.67Å; A85-I102 HydrophobicContact CB-CD1 3.98Å; A85-I102 HydrophobicContact CB-CG1 4.21Å; A85-I102 HydrophobicContact CB-CG2 3.67Å
86	I	92	Very high	89.3	Confident	10 Å²	10	35.4 Å²	35.4	5%	0.051	18%	0.181	C	C	.	.	H	α-helix	trans	-76.4	-34.9	-176.5	-73.5	167.8	0	0	0	113.4	V5 I82 V83 C84 F93 M99 L159 I170 L174 L211	V5-I86 HydrophobicContact CG1-CD1 4.11Å; I82-I86 HydrophobicContact CG2-CD1 3.6Å; I82-I86 HydrophobicContact CG2-CG1 4.42Å; I82-I86 VanDerWaalsContact O-CG1 3.3Å; I82-I86 WeakPolarHBondContact O-CG1 3.45Å; I82-I86 PolarHBondContact O-N 3.16Å; V83-I86 PolarHBondContact O-N 2.84Å; C84-I86 VanDerWaalsContact C-N 3.32Å; I86-F93 HydrophobicContact CD1-CZ 4.49Å; I86-F93 HydrophobicContact CG1-CE2 3.89Å; I86-F93 HydrophobicContact CG1-CZ 3.96Å; I86-M99 HydrophobicContact CD1-CE 3.89Å; I86-L159 HydrophobicContact CD1-CD2 4.46Å; I86-L159 HydrophobicContact CG2-CD2 3.5Å; I86-I170 HydrophobicContact CD1-CG2 3.99Å; I86-L174 HydrophobicContact CG2-CD1 3.42Å; I86-L174 VanDerWaalsContact CG2-CD1 3.42Å; I86-L211 HydrophobicContact CG2-CD1 3.24Å
87	Y	93.2	Very high	89.8	Confident	12 Å²	12	26.6 Å²	26.6	5%	0.047	15%	0.154	C	C	.	.	H	α-helix	trans	-96.3	-4.9	-177.3	-73.1	-104.2	0	0	0	114.6	V83 V147 L156 S157 L159 L211	V83-Y87 HydrophobicContact CG2-CD2 3.97Å; V83-Y87 HydrophobicContact CG2-CE2 3.8Å; V83-Y87 WeakPolarHBondContact O-CD2 3.41Å; V83-Y87 PolarHBondContact O-N 2.79Å; Y87-V147 HydrophobicContact CD2-CG1 3.84Å; Y87-V147 HydrophobicContact CG-CG1 3.86Å; Y87-L156 HydrophobicContact CD1-CD1 4.35Å; Y87-L156 HydrophobicContact CD1-CD2 3.95Å; Y87-L156 HydrophobicContact CD2-CD1 4.21Å; Y87-L156 HydrophobicContact CE1-CB 3.71Å; Y87-L156 HydrophobicContact CE1-CD1 4Å; Y87-L156 HydrophobicContact CE1-CD2 3.96Å; Y87-L156 HydrophobicContact CE1-CG 4.09Å; Y87-L156 HydrophobicContact CE2-CD1 3.82Å; Y87-L156 HydrophobicContact CG-CD1 4.45Å; Y87-S157 PolarHBondContact OH-O 3.25Å; Y87-L159 HydrophobicContact CE2-CD1 3.94Å; Y87-L159 HydrophobicContact CE2-CD2 3.97Å; Y87-L159 HydrophobicContact CE2-CG 4.11Å; Y87-L159 WeakPolarHBondContact OH-CD1 3.49Å; Y87-L159 WeakPolarHBondContact OH-CG 3.41Å; Y87-L211 HydrophobicContact CD1-CB 3.68Å; Y87-L211 HydrophobicContact CD2-CD1 4.45Å; Y87-L211 HydrophobicContact CE1-CB 3.74Å; Y87-L211 HydrophobicContact CE1-CD1 4.43Å; Y87-L211 HydrophobicContact CE1-CG 4.48Å; Y87-L211 HydrophobicContact CE2-CD1 4.32Å; Y87-L211 HydrophobicContact CG-CB 4.29Å
88	I	92.5	Very high	90.2	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.137	C	C	.	.	S	Bend	trans	-100.2	107.1	173.7	-64.8	172.1	0	0	0	107	L61 C84 E90 V91 V107 A132 I134 V147	L61-I88 HydrophobicContact CB-CD1 4.29Å; L61-I88 HydrophobicContact CD1-CD1 4.22Å; L61-I88 HydrophobicContact CD2-CD1 4.08Å; L61-I88 HydrophobicContact CG-CD1 4.43Å; C84-I88 WeakPolarHBondContact O-CG1 3.45Å; C84-I88 PolarHBondContact O-N 3.46Å; I88-E90 VanDerWaalsContact CG2-OE2 3.24Å; I88-E90 WeakPolarHBondContact CG2-OE2 3.45Å; I88-E90 PolarHBondContact O-N 2.89Å; I88-E90 VanDerWaalsContact O-N 3.12Å; I88-V91 HydrophobicContact CB-CB 4.38Å; I88-V91 HydrophobicContact CB-CG2 3.98Å; I88-V91 HydrophobicContact CG2-CB 4.46Å; I88-V91 HydrophobicContact CG2-CG2 3.73Å; I88-V91 WeakPolarHBondContact O-CB 3.38Å; I88-V91 PolarHBondContact O-N 2.96Å; I88-V107 HydrophobicContact CG2-CG2 4.31Å; I88-A132 HydrophobicContact CD1-CB 3.86Å; I88-I134 HydrophobicContact CG1-CG2 3.83Å; I88-V147 HydrophobicContact CD1-CG2 4.26Å; I88-V147 HydrophobicContact CG1-CG2 3.89Å
89	P	86.7	Confident	90	Very high	64 Å²	64	23.7 Å²	23.7	42%	0.416	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.5	-164.9	26.8	-34.8	0	0	0	114.5	R208	P89-R208 PolarHBondContact O-NH1 3.3Å
90	E	88.2	Confident	89.6	Confident	35 Å²	35	25.9 Å²	25.9	16%	0.164	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-15.1	173.2	-54.4	77	-169.5	0	0	113.1	I88 M108 R111	I88-E90 VanDerWaalsContact CG2-OE2 3.24Å; I88-E90 WeakPolarHBondContact CG2-OE2 3.45Å; I88-E90 PolarHBondContact O-N 2.89Å; I88-E90 VanDerWaalsContact O-N 3.12Å; E90-M108 HydrophobicContact CG-CG 4.21Å; E90-M108 WeakPolarHBondContact OE1-CE 3.41Å; E90-R111 IonicContact OE1-CZ 3.13Å; E90-R111 VanDerWaalsContact OE1-CZ 3.22Å; E90-R111 IonicContact OE1-NE 2.84Å; E90-R111 PolarHBondContact OE1-NE 2.96Å; E90-R111 IonicContact OE1-NH2 2.72Å; E90-R111 PolarHBondContact OE1-NH2 3.02Å; E90-R111 WeakPolarHBondContact OE2-CD 3.19Å; E90-R111 IonicContact OE2-CZ 2.8Å; E90-R111 IonicContact OE2-NE 3.8Å; E90-R111 PolarHBondContact OE2-NE 3.47Å; E90-R111 IonicContact OE2-NH2 2.71Å
91	V	90.5	Very high	89.1	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.			trans	-88.6	142.5	177	178.6	0	0	0	0	109.7	L61 A85 I88 I102 S103 V107	L61-V91 HydrophobicContact CD1-CG2 4.25Å; L61-V91 HydrophobicContact CD2-CG2 4.34Å; A85-V91 HydrophobicContact CB-CG1 3.55Å; I88-V91 HydrophobicContact CB-CB 4.38Å; I88-V91 HydrophobicContact CB-CG2 3.98Å; I88-V91 HydrophobicContact CG2-CB 4.46Å; I88-V91 HydrophobicContact CG2-CG2 3.73Å; I88-V91 WeakPolarHBondContact O-CB 3.38Å; I88-V91 PolarHBondContact O-N 2.96Å; V91-I102 HydrophobicContact CG1-CG2 3.35Å; V91-S103 WeakPolarHBondContact CG1-O 3.33Å; V91-V107 HydrophobicContact CG2-CG2 3.41Å; V91-V107 VanDerWaalsContact CG2-CG2 3.41Å
92	F	88.2	Confident	88.9	Confident	77 Å²	77	29.6 Å²	29.6	34%	0.338	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	165.2	175.5	57.8	-87.4	0	0	0	110.9	I102 S103 N106	F92-I102 CarbonylContact O-C 3.56Å; F92-I102 WeakPolarHBondContact O-CA 3.39Å; F92-S103 VanDerWaalsContact CZ-CB 3.46Å; F92-S103 PolarHBondContact O-N 3.19Å; F92-N106 HydrophobicContact CE1-CB 4.26Å; F92-N106 VanDerWaalsContact CE1-OD1 3.26Å; F92-N106 WeakPolarHBondContact CE1-OD1 3.24Å
93	F	89.9	Confident	88.6	Confident	5 Å²	5	30 Å²	30	2%	0.022	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.5	171.8	-54.7	-95.7	0	0	0	108.2	I82 A85 I86 D95 L96 M99 I102 A171 F175	I82-F93 HydrophobicContact CG2-CE1 4.48Å; I82-F93 HydrophobicContact CG2-CZ 4.13Å; A85-F93 HydrophobicContact CB-CE1 4.16Å; A85-F93 HydrophobicContact CB-CE2 4.19Å; A85-F93 HydrophobicContact CB-CZ 3.67Å; I86-F93 HydrophobicContact CD1-CZ 4.49Å; I86-F93 HydrophobicContact CG1-CE2 3.89Å; I86-F93 HydrophobicContact CG1-CZ 3.96Å; F93-D95 VanDerWaalsContact C-N 3.32Å; F93-D95 WeakPolarHBondContact CB-O 3.26Å; F93-L96 HydrophobicContact CB-CD2 4.26Å; F93-M99 HydrophobicContact CD1-CB 3.91Å; F93-M99 WeakPolarHBondContact CD1-O 3.35Å; F93-M99 HydrophobicContact CE1-CB 4.03Å; F93-M99 HydrophobicContact CE1-CE 4.43Å; F93-M99 HydrophobicContact CE2-CE 4.35Å; F93-M99 HydrophobicContact CG-CB 4.43Å; F93-M99 HydrophobicContact CZ-CE 4.01Å; F93-I102 HydrophobicContact CD1-CD1 4.48Å; F93-I102 HydrophobicContact CD1-CG1 3.67Å; F93-I102 HydrophobicContact CE1-CD1 3.94Å; F93-I102 HydrophobicContact CE1-CG1 3.62Å; F93-A171 HydrophobicContact CD2-CB 3.5Å; F93-A171 VanDerWaalsContact CD2-CB 3.5Å; F93-A171 HydrophobicContact CE2-CB 3.67Å; F93-A171 HydrophobicContact CG-CB 4.33Å; F93-F175 HydrophobicContact CD2-CE2 4.4Å
94	T	86.9	Confident	88.4	Confident	80 Å²	80	30.9 Å²	30.9	49%	0.491	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-33.7	179.3	-49.8	0	0	0	0	110.7	E100 L101	T94-E100 PolarHBondContact N-O 3.07Å; T94-L101 PolarHBondContact N-O 3.35Å; T94-L101 WeakPolarHBondContact OG1-CB 3.46Å; T94-L101 PolarHBondContact OG1-O 2.86Å
95	D	85.5	Confident	87.9	Confident	58 Å²	58	37 Å²	37	31%	0.31	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.1	162.1	169.1	29.9	0	0	0	109.6	F93 S97 T98 M99 E100	F93-D95 VanDerWaalsContact C-N 3.32Å; F93-D95 WeakPolarHBondContact CB-O 3.26Å; D95-S97 VanDerWaalsContact CG-OG 3.27Å; D95-S97 WeakPolarHBondContact OD1-CB 3.35Å; D95-S97 PolarHBondContact OD1-N 3.03Å; D95-S97 PolarHBondContact OD1-OG 3.17Å; D95-S97 PolarHBondContact OD2-OG 3.29Å; D95-T98 WeakPolarHBondContact OD2-CB 3.49Å; D95-T98 VanDerWaalsContact OD2-CG2 3.22Å; D95-T98 WeakPolarHBondContact OD2-CG2 3.21Å; D95-T98 PolarHBondContact OD2-N 2.88Å; D95-T98 PolarHBondContact OD2-OG1 3.08Å; D95-M99 VanDerWaalsContact O-CA 3.25Å; D95-M99 WeakPolarHBondContact O-CA 3.19Å; D95-M99 PolarHBondContact O-N 2.91Å; D95-M99 VanDerWaalsContact O-N 3.13Å; D95-E100 PolarHBondContact N-O 3.27Å; D95-E100 PolarHBondContact O-N 3.26Å
96	L	84.1	Confident	87.5	Confident	54 Å²	54	41.1 Å²	41.1	28%	0.283	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-33.8	177.1	-57.4	-171.4	0	0	0	111.9	F93 M99 S169 A171 E172 F175	F93-L96 HydrophobicContact CB-CD2 4.26Å; L96-M99 WeakPolarHBondContact O-CG 3.32Å; L96-M99 PolarHBondContact O-N 3.42Å; L96-S169 VanDerWaalsContact O-CB 3.25Å; L96-S169 WeakPolarHBondContact O-CB 3.31Å; L96-S169 PolarHBondContact O-OG 3.21Å; L96-A171 HydrophobicContact CD2-CB 4.31Å; L96-E172 HydrophobicContact CB-CB 4.19Å; L96-F175 HydrophobicContact CD1-CB 4.01Å; L96-F175 HydrophobicContact CD1-CD2 4.49Å; L96-F175 HydrophobicContact CD2-CD2 3.82Å; L96-F175 HydrophobicContact CD2-CE2 4.5Å
97	S	81.7	Confident	87.2	Confident	38 Å²	38	41.1 Å²	41.1	27%	0.266	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-49	-170.2	72.4	0	0	0	0	112.2	Q35 D95 M99	Q35-S97 PolarHBondContact NE2-OG 3.36Å; Q35-S97 VanDerWaalsContact NE2-OG 3.12Å; D95-S97 VanDerWaalsContact CG-OG 3.27Å; D95-S97 WeakPolarHBondContact OD1-CB 3.35Å; D95-S97 PolarHBondContact OD1-N 3.03Å; D95-S97 PolarHBondContact OD1-OG 3.17Å; D95-S97 PolarHBondContact OD2-OG 3.29Å; S97-M99 VanDerWaalsContact C-N 3.33Å
98	T	84.7	Confident	86.8	Confident	36 Å²	36	45 Å²	45	22%	0.221	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-11	171	65.1	0	0	0	0	113.2	G33 K70 D95 E100	G33-T98 WeakPolarHBondContact CA-O 3.37Å; G33-T98 WeakPolarHBondContact O-CA 3.31Å; K70-T98 PolarHBondContact NZ-O 3.38Å; D95-T98 WeakPolarHBondContact OD2-CB 3.49Å; D95-T98 VanDerWaalsContact OD2-CG2 3.22Å; D95-T98 WeakPolarHBondContact OD2-CG2 3.21Å; D95-T98 PolarHBondContact OD2-N 2.88Å; D95-T98 PolarHBondContact OD2-OG1 3.08Å; T98-E100 VanDerWaalsContact C-N 3.28Å; T98-E100 PolarHBondContact O-N 3.07Å
99	M	84.3	Confident	86.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	43.5	-171.8	-52.6	174.8	78.6	0	0	111.9	G33 K70 I82 I86 F93 D95 L96 S97 S169 I170 A171	G33-M99 PolarHBondContact N-SD 2.81Å; K70-M99 WeakPolarHBondContact CG-O 3.45Å; K70-M99 PolarHBondContact NZ-O 3.22Å; I82-M99 HydrophobicContact CG2-CE 3.57Å; I86-M99 HydrophobicContact CD1-CE 3.89Å; F93-M99 HydrophobicContact CD1-CB 3.91Å; F93-M99 WeakPolarHBondContact CD1-O 3.35Å; F93-M99 HydrophobicContact CE1-CB 4.03Å; F93-M99 HydrophobicContact CE1-CE 4.43Å; F93-M99 HydrophobicContact CE2-CE 4.35Å; F93-M99 HydrophobicContact CG-CB 4.43Å; F93-M99 HydrophobicContact CZ-CE 4.01Å; D95-M99 VanDerWaalsContact O-CA 3.25Å; D95-M99 WeakPolarHBondContact O-CA 3.19Å; D95-M99 PolarHBondContact O-N 2.91Å; D95-M99 VanDerWaalsContact O-N 3.13Å; L96-M99 WeakPolarHBondContact O-CG 3.32Å; L96-M99 PolarHBondContact O-N 3.42Å; S97-M99 VanDerWaalsContact C-N 3.33Å; M99-S169 WeakPolarHBondContact CG-OG 3.21Å; M99-I170 HydrophobicContact CE-CB 4.47Å; M99-A171 HydrophobicContact CE-CB 3.94Å; M99-A171 HydrophobicContact CG-CB 4.1Å
100	E	85.4	Confident	86.5	Confident	58 Å²	58	52.3 Å²	52.3	27%	0.271	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	160.8	179.1	-64.3	-156.2	165.7	0	0	113	R46 K70 T94 D95 T98	R46-E100 IonicContact CZ-OE1 3.94Å; R46-E100 IonicContact NE-OE1 2.67Å; R46-E100 PolarHBondContact NE-OE1 3.5Å; R46-E100 IonicContact NH2-OE1 3.82Å; R46-E100 PolarHBondContact NH2-OE1 2.95Å; R46-E100 IonicContact NH2-OE2 2.69Å; K70-E100 HydrophobicContact CD-CG 4.22Å; K70-E100 IonicContact NZ-OE1 3.81Å; T94-E100 PolarHBondContact N-O 3.07Å; D95-E100 PolarHBondContact N-O 3.27Å; D95-E100 PolarHBondContact O-N 3.26Å; T98-E100 VanDerWaalsContact C-N 3.28Å; T98-E100 PolarHBondContact O-N 3.07Å
101	L	84.7	Confident	86.6	Confident	80 Å²	80	53.1 Å²	53.1	42%	0.419	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.3	83.8	-175.7	-62.9	178.9	0	0	0	113.4	N73 T94 S103	N73-L101 HydrophobicContact CB-CB 4.22Å; T94-L101 PolarHBondContact N-O 3.35Å; T94-L101 WeakPolarHBondContact OG1-CB 3.46Å; T94-L101 PolarHBondContact OG1-O 2.86Å; L101-S103 PolarHBondContact O-N 2.93Å
102	I	91.2	Very high	86.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	112	178.5	-63	170.4	0	0	0	109.8	K70 R71 S72 N73 A80 A85 V91 F92 F93 V104	K70-I102 HydrophobicContact CB-CD1 3.83Å; K70-I102 HydrophobicContact CB-CG1 4.3Å; R71-I102 PolarHBondContact O-N 2.99Å; S72-I102 CarbonylContact C-O 3.58Å; S72-I102 WeakPolarHBondContact CA-O 3.47Å; S72-I102 WeakPolarHBondContact CB-O 3.37Å; N73-I102 PolarHBondContact N-O 3.49Å; A80-I102 HydrophobicContact CB-CB 4.28Å; A80-I102 HydrophobicContact CB-CD1 3.7Å; A80-I102 HydrophobicContact CB-CG2 3.95Å; A85-I102 HydrophobicContact CB-CD1 3.98Å; A85-I102 HydrophobicContact CB-CG1 4.21Å; A85-I102 HydrophobicContact CB-CG2 3.67Å; V91-I102 HydrophobicContact CG1-CG2 3.35Å; F92-I102 CarbonylContact O-C 3.56Å; F92-I102 WeakPolarHBondContact O-CA 3.39Å; F93-I102 HydrophobicContact CD1-CD1 4.48Å; F93-I102 HydrophobicContact CD1-CG1 3.67Å; F93-I102 HydrophobicContact CE1-CD1 3.94Å; F93-I102 HydrophobicContact CE1-CG1 3.62Å; I102-V104 HydrophobicContact CG2-CG2 4Å; I102-V104 PolarHBondContact O-N 2.97Å
103	S	89.4	Confident	86.3	Confident	10 Å²	10	55.5 Å²	55.5	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	111.4	175.3	-167.2	0	0	0	0	110.9	V91 F92 L101 N106	V91-S103 WeakPolarHBondContact CG1-O 3.33Å; F92-S103 VanDerWaalsContact CZ-CB 3.46Å; F92-S103 PolarHBondContact O-N 3.19Å; L101-S103 PolarHBondContact O-N 2.93Å; S103-N106 PolarHBondContact OG-OD1 3.48Å
104	V	88.8	Confident	86.5	Confident	30 Å²	30	60.1 Å²	60.1	18%	0.182	33%	0.326	C	S	.	.			trans	-101.1	-19	179.9	175.1	0	0	0	0	112	D60 L61 A80 I102 N106 V107	D60-V104 HydrophobicContact CB-CG1 4.42Å; L61-V104 HydrophobicContact CD1-CG2 4.47Å; L61-V104 HydrophobicContact CD2-CG1 3.94Å; L61-V104 HydrophobicContact CG-CG2 4.48Å; A80-V104 HydrophobicContact CB-CG2 4.31Å; I102-V104 HydrophobicContact CG2-CG2 4Å; I102-V104 PolarHBondContact O-N 2.97Å; V104-N106 PolarHBondContact O-N 3.41Å; V104-V107 WeakPolarHBondContact O-CG2 3.44Å; V104-V107 PolarHBondContact O-N 3.4Å
105	E	85	Confident	86.8	Confident	128 Å²	128	58.5 Å²	58.5	60%	0.598	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.8	-174.1	-58.9	-170.2	149.5	0	0	113.3	G74 V75 V107	G74-E105 WeakPolarHBondContact CA-OE1 3.44Å; V75-E105 PolarHBondContact N-OE1 2.87Å; E105-V107 VanDerWaalsContact C-N 3.34Å; E105-V107 PolarHBondContact O-N 2.89Å
106	N	83.8	Confident	87.4	Confident	87 Å²	87	55.8 Å²	55.8	47%	0.465	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.7	178.3	-59.2	91.2	0	0	0	114.7	F92 S103 V104 M108	F92-N106 HydrophobicContact CE1-CB 4.26Å; F92-N106 VanDerWaalsContact CE1-OD1 3.26Å; F92-N106 WeakPolarHBondContact CE1-OD1 3.24Å; S103-N106 PolarHBondContact OG-OD1 3.48Å; V104-N106 PolarHBondContact O-N 3.41Å; N106-M108 PolarHBondContact O-N 3.42Å
107	V	86.4	Confident	87.9	Confident	11 Å²	11	54.3 Å²	54.3	7%	0.067	30%	0.296	C	S	.	.			trans	-66.1	117.6	-176.9	175.5	0	0	0	0	110.9	L61 I88 V91 V104 E105 R111 L112 A132	L61-V107 HydrophobicContact CD2-CG2 4.01Å; I88-V107 HydrophobicContact CG2-CG2 4.31Å; V91-V107 HydrophobicContact CG2-CG2 3.41Å; V91-V107 VanDerWaalsContact CG2-CG2 3.41Å; V104-V107 WeakPolarHBondContact O-CG2 3.44Å; V104-V107 PolarHBondContact O-N 3.4Å; E105-V107 VanDerWaalsContact C-N 3.34Å; E105-V107 PolarHBondContact O-N 2.89Å; V107-R111 HydrophobicContact CG1-CB 4.16Å; V107-L112 HydrophobicContact CG1-CD2 3.89Å; V107-L112 HydrophobicContact CG1-CG 4.14Å; V107-A132 HydrophobicContact CG1-CB 4.07Å
108	M	85.7	Confident	88.6	Confident	94 Å²	94	53 Å²	53	46%	0.463	29%	0.286	S	S	.	.			trans	-53.7	134.5	179.4	-75.4	-162.3	-65.4	0	0	112	E90 N106 D110 R111	E90-M108 HydrophobicContact CG-CG 4.21Å; E90-M108 WeakPolarHBondContact OE1-CE 3.41Å; N106-M108 PolarHBondContact O-N 3.42Å; M108-D110 PolarHBondContact O-N 2.99Å; M108-R111 PolarHBondContact O-N 3Å
109	P	85	Confident	89.1	Confident	110 Å²	110	51.3 Å²	51.3	71%	0.714	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-52.9	-28.6	177.6	-29.3	35.9	0	0	0	114.1	R111 L112	P109-R111 PolarHBondContact O-N 2.74Å; P109-L112 PolarHBondContact O-N 2.9Å
110	D	87.5	Confident	89.6	Confident	107 Å²	107	55.4 Å²	55.4	57%	0.572	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-64.2	-19.5	176.3	-94.1	-44.3	0	0	0	115.1	M108 R114	M108-D110 PolarHBondContact O-N 2.99Å; D110-R114 WeakPolarHBondContact O-CG 3.15Å; D110-R114 PolarHBondContact O-NE 3.12Å; D110-R114 IonicContact OD1-CZ 3.99Å; D110-R114 IonicContact OD1-NH2 2.7Å; D110-R114 PolarHBondContact OD1-NH2 2.86Å
111	R	90.1	Very high	89.9	Confident	52 Å²	52	60.3 Å²	60.3	20%	0.196	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-86.7	-25.2	170.8	-62.2	-159.1	-171.9	-66.8	-6.6	112.9	E90 V107 M108 P109 A132 C133	E90-R111 IonicContact OE1-CZ 3.13Å; E90-R111 VanDerWaalsContact OE1-CZ 3.22Å; E90-R111 IonicContact OE1-NE 2.84Å; E90-R111 PolarHBondContact OE1-NE 2.96Å; E90-R111 IonicContact OE1-NH2 2.72Å; E90-R111 PolarHBondContact OE1-NH2 3.02Å; E90-R111 WeakPolarHBondContact OE2-CD 3.19Å; E90-R111 IonicContact OE2-CZ 2.8Å; E90-R111 IonicContact OE2-NE 3.8Å; E90-R111 PolarHBondContact OE2-NE 3.47Å; E90-R111 IonicContact OE2-NH2 2.71Å; V107-R111 HydrophobicContact CG1-CB 4.16Å; M108-R111 PolarHBondContact O-N 3Å; P109-R111 PolarHBondContact O-N 2.74Å; R111-A132 HydrophobicContact CB-CB 4.35Å; R111-A132 WeakPolarHBondContact O-CA 3.27Å; R111-C133 PolarHBondContact O-N 2.86Å
112	L	89.4	Confident	90.3	Very high	85 Å²	85	59.9 Å²	59.9	45%	0.445	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-77.7	139	-176.2	-59.7	177.3	0	0	0	110.5	V107 P109 R114 G131 A132	V107-L112 HydrophobicContact CG1-CD2 3.89Å; V107-L112 HydrophobicContact CG1-CG 4.14Å; P109-L112 PolarHBondContact O-N 2.9Å; L112-R114 PolarHBondContact O-N 3.18Å; L112-R114 VanDerWaalsContact O-N 3.09Å; L112-G131 WeakPolarHBondContact CA-O 3.47Å; L112-A132 HydrophobicContact CD2-CB 3.94Å
113	G	83.6	Confident	90.1	Very high	42 Å²	42	68.2 Å²	68.2	43%	0.433	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	-0.4	176.4	0	0	0	0	0	116.2	N129 G131	G113-N129 WeakPolarHBondContact CA-O 3.38Å; G113-G131 PolarHBondContact N-O 3.35Å
114	R	93	Very high	90.2	Very high	103 Å²	103	71.5 Å²	71.5	39%	0.389	36%	0.358	S	S	.	.			trans	-66.8	139.7	170	-63.7	-70.2	178.6	175	-2.4	109.7	D110 L112 C133 H144	D110-R114 WeakPolarHBondContact O-CG 3.15Å; D110-R114 PolarHBondContact O-NE 3.12Å; D110-R114 IonicContact OD1-CZ 3.99Å; D110-R114 IonicContact OD1-NH2 2.7Å; D110-R114 PolarHBondContact OD1-NH2 2.86Å; L112-R114 PolarHBondContact O-N 3.18Å; L112-R114 VanDerWaalsContact O-N 3.09Å; R114-C133 HydrophobicContact CB-CB 4.03Å; R114-C133 PolarHBondContact O-SG 2.78Å; R114-H144 HydrophobicContact CB-CB 4.39Å
115	S	94.3	Very high	90.2	Very high	46 Å²	46	73.4 Å²	73.4	32%	0.322	37%	0.373	S	S	.	.			trans	-78	134.2	-175.9	78.5	0	0	0	0	112.8	E120 N129 H144	S115-E120 WeakPolarHBondContact CB-OE1 3.49Å; S115-E120 PolarHBondContact OG-OE1 3.08Å; S115-N129 WeakPolarHBondContact CA-OD1 3.35Å; S115-N129 WeakPolarHBondContact CB-OD1 3.35Å; S115-H144 WeakPolarHBondContact O-CB 3.43Å
116	C	96.9	Very high	90.5	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.383	C	S	.	.			trans	-89.7	114.2	176.8	173.6	0	0	0	0	111.4	F118 C119 E120 A128 H144 H146	C116-F118 PolarHBondContact O-N 3.15Å; C116-F118 VanDerWaalsContact O-N 3.17Å; C116-C119 HydrophobicContact CB-CB 4.06Å; C116-C119 WeakPolarHBondContact O-CA 3.33Å; C116-C119 WeakPolarHBondContact O-CB 3.39Å; C116-C119 PolarHBondContact O-N 2.84Å; C116-E120 PolarHBondContact O-N 2.69Å; C116-A128 WeakPolarHBondContact CB-O 3.39Å; C116-A128 PolarHBondContact N-O 3.18Å; C116-H144 WeakPolarHBondContact CA-O 3.46Å; C116-H146 WeakPolarHBondContact CB-CE1 3.41Å; C116-H146 VanDerWaalsContact CB-ND1 3.32Å; C116-H146 WeakPolarHBondContact CB-ND1 3.24Å; C116-H146 PolarHBondContact SG-N 3.05Å; C116-H146 VanDerWaalsContact SG-N 3.38Å; C116-H146 PolarHBondContact SG-ND1 3.37Å
117	I	95.5	Very high	91	Very high	24 Å²	24	71.8 Å²	71.8	12%	0.123	38%	0.377	C	S	.	.	H	α-helix	trans	-56.2	-34.7	-179.3	-171.3	170.2	0	0	0	113.4	C119 R121 L143 H144 F145 C215 V258	I117-C119 VanDerWaalsContact C-N 3.35Å; I117-R121 WeakPolarHBondContact O-CB 3.23Å; I117-R121 PolarHBondContact O-N 3.02Å; I117-L143 HydrophobicContact CD1-CD1 3.77Å; I117-L143 HydrophobicContact CD1-CD2 4.14Å; I117-L143 HydrophobicContact CD1-CG 4.45Å; I117-H144 PolarHBondContact N-O 3.26Å; I117-F145 HydrophobicContact CG2-CB 4.45Å; I117-C215 HydrophobicContact CG2-CB 4.46Å; I117-V258 HydrophobicContact CD1-CG2 4.13Å
118	F	95.9	Very high	91.4	Very high	11 Å²	11	71.3 Å²	71.3	5%	0.048	37%	0.374	C	S	.	.	H	α-helix	trans	-73	-26.5	177.1	-54.5	-61.6	0	0	0	112.9	C116 N122 F145 C149 A150 E153 L155 C215	C116-F118 PolarHBondContact O-N 3.15Å; C116-F118 VanDerWaalsContact O-N 3.17Å; F118-N122 WeakPolarHBondContact O-CB 3.36Å; F118-N122 PolarHBondContact O-N 3.44Å; F118-N122 VanDerWaalsContact O-N 3.14Å; F118-N122 PolarHBondContact O-OD1 3.3Å; F118-F145 HydrophobicContact CD2-CB 3.51Å; F118-F145 HydrophobicContact CD2-CG 4.12Å; F118-F145 HydrophobicContact CE2-CB 3.53Å; F118-F145 HydrophobicContact CE2-CD1 4.02Å; F118-F145 HydrophobicContact CE2-CD2 4.09Å; F118-F145 AromaticContact CE2-CG 3.59Å; F118-F145 HydrophobicContact CE2-CG 3.59Å; F118-C149 HydrophobicContact CB-CB 3.87Å; F118-C149 HydrophobicContact CD2-CB 3.82Å; F118-C149 HydrophobicContact CG-CB 4.23Å; F118-A150 HydrophobicContact CE2-CB 4.01Å; F118-E153 HydrophobicContact CD1-CG 3.96Å; F118-E153 HydrophobicContact CE1-CG 4.05Å; F118-E153 HydrophobicContact CG-CG 4.39Å; F118-L155 HydrophobicContact CE1-CD1 3.83Å; F118-L155 HydrophobicContact CZ-CD1 3.57Å; F118-C215 WeakPolarHBondContact CE1-O 3.43Å; F118-C215 WeakPolarHBondContact CZ-O 3.45Å
119	C	96	Very high	91.7	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-76.9	-42.5	172.8	-74.3	0	0	0	0	111.1	C116 I117 N122 Q123 R124 A128	C116-C119 HydrophobicContact CB-CB 4.06Å; C116-C119 WeakPolarHBondContact O-CA 3.33Å; C116-C119 WeakPolarHBondContact O-CB 3.39Å; C116-C119 PolarHBondContact O-N 2.84Å; I117-C119 VanDerWaalsContact C-N 3.35Å; C119-N122 PolarHBondContact O-N 3.27Å; C119-Q123 PolarHBondContact O-N 2.96Å; C119-R124 HydrophobicContact CB-CB 4.4Å; C119-R124 CarbonylContact O-C 3.58Å; C119-R124 VanDerWaalsContact O-C 3.28Å; C119-R124 VanDerWaalsContact O-CA 3.32Å; C119-R124 WeakPolarHBondContact O-CA 3.37Å; C119-R124 PolarHBondContact O-N 3.47Å; C119-A128 HydrophobicContact CB-CB 3.77Å
120	E	93.6	Very high	92.1	Very high	86 Å²	86	69.8 Å²	69.8	40%	0.402	36%	0.356	S	S	.	.	H	α-helix	trans	-58.4	-52.4	172.6	-64.4	172.6	164.4	0	0	111.3	S115 C116 N122 Q123 A128	S115-E120 WeakPolarHBondContact CB-OE1 3.49Å; S115-E120 PolarHBondContact OG-OE1 3.08Å; C116-E120 PolarHBondContact O-N 2.69Å; E120-N122 VanDerWaalsContact C-N 3.32Å; E120-N122 PolarHBondContact O-N 3.34Å; E120-Q123 PolarHBondContact O-N 2.84Å; E120-A128 HydrophobicContact CG-CB 3.78Å
121	R	93.1	Very high	92.4	Very high	161 Å²	161	65.6 Å²	65.6	61%	0.608	34%	0.339	S	S	*	.	H	α-helix	trans	-57.3	-41.9	178.4	-177.2	-175.7	178	100.1	2.8	112.6	I117 Q123	I117-R121 WeakPolarHBondContact O-CB 3.23Å; I117-R121 PolarHBondContact O-N 3.02Å; R121-Q123 PolarHBondContact O-N 3.28Å
122	N	91.7	Very high	92.6	Very high	70 Å²	70	63.1 Å²	63.1	37%	0.374	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	29.1	-176.6	-58	3	0	0	0	111.7	F118 C119 E120 R124	F118-N122 WeakPolarHBondContact O-CB 3.36Å; F118-N122 PolarHBondContact O-N 3.44Å; F118-N122 VanDerWaalsContact O-N 3.14Å; F118-N122 PolarHBondContact O-OD1 3.3Å; C119-N122 PolarHBondContact O-N 3.27Å; E120-N122 VanDerWaalsContact C-N 3.32Å; E120-N122 PolarHBondContact O-N 3.34Å; N122-R124 PolarHBondContact O-N 2.82Å; N122-R124 VanDerWaalsContact O-N 3.07Å
123	Q	88.1	Confident	92.9	Very high	175 Å²	175	59.1 Å²	59.1	82%	0.818	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	18.9	175.2	-54.9	-178.1	13.5	0	0	115.5	C119 E120 R121	C119-Q123 PolarHBondContact O-N 2.96Å; E120-Q123 PolarHBondContact O-N 2.84Å; R121-Q123 PolarHBondContact O-N 3.28Å
124	R	90.6	Very high	93.4	Very high	79 Å²	79	57.6 Å²	57.6	30%	0.298	29%	0.29	S	S	.	.			trans	-105.4	41	178	-66.6	179	-60.8	148.1	7.3	111.1	C119 N122 S126 L127 A128	C119-R124 HydrophobicContact CB-CB 4.4Å; C119-R124 CarbonylContact O-C 3.58Å; C119-R124 VanDerWaalsContact O-C 3.28Å; C119-R124 VanDerWaalsContact O-CA 3.32Å; C119-R124 WeakPolarHBondContact O-CA 3.37Å; C119-R124 PolarHBondContact O-N 3.47Å; N122-R124 PolarHBondContact O-N 2.82Å; N122-R124 VanDerWaalsContact O-N 3.07Å; R124-S126 PolarHBondContact O-N 3.03Å; R124-L127 HydrophobicContact CB-CB 4.38Å; R124-L127 HydrophobicContact CB-CD1 4.4Å; R124-L127 CarbonylContact O-C 3.57Å; R124-L127 WeakPolarHBondContact O-CA 3.42Å; R124-L127 WeakPolarHBondContact O-CB 3.23Å; R124-L127 PolarHBondContact O-N 2.93Å; R124-A128 PolarHBondContact O-N 2.83Å
125	S	89.4	Confident	93.5	Very high	71 Å²	71	57.2 Å²	57.2	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-59	-30.1	-175.1	-46.8	0	0	0	0	113.5	L127 A128	S125-L127 PolarHBondContact O-N 3.39Å; S125-A128 WeakPolarHBondContact O-CB 3.13Å; S125-A128 PolarHBondContact O-N 3.09Å; S125-A128 VanDerWaalsContact O-N 3.13Å
126	S	91.9	Very high	93.5	Very high	117 Å²	117	55.2 Å²	55.2	82%	0.818	28%	0.279	S	S	*	.	H	α-helix	trans	-63.2	-23.2	171.7	52.8	0	0	0	0	114	R124	R124-S126 PolarHBondContact O-N 3.03Å
127	L	93.1	Very high	93.4	Very high	64 Å²	64	56.5 Å²	56.5	34%	0.335	29%	0.29	S	S	.	.	H	α-helix	trans	-101.8	-2.7	176	-60.1	174	0	0	0	112.4	P63 R124 S125 N129 Y130 H146	P63-L127 HydrophobicContact CB-CB 3.88Å; P63-L127 HydrophobicContact CB-CD1 4.21Å; P63-L127 HydrophobicContact CB-CD2 4.26Å; P63-L127 HydrophobicContact CB-CG 4.34Å; P63-L127 HydrophobicContact CG-CB 4.17Å; R124-L127 HydrophobicContact CB-CB 4.38Å; R124-L127 HydrophobicContact CB-CD1 4.4Å; R124-L127 CarbonylContact O-C 3.57Å; R124-L127 WeakPolarHBondContact O-CA 3.42Å; R124-L127 WeakPolarHBondContact O-CB 3.23Å; R124-L127 PolarHBondContact O-N 2.93Å; S125-L127 PolarHBondContact O-N 3.39Å; L127-N129 VanDerWaalsContact C-N 3.29Å; L127-N129 PolarHBondContact O-N 2.75Å; L127-Y130 VanDerWaalsContact O-CB 3.31Å; L127-Y130 WeakPolarHBondContact O-CB 3.37Å; L127-Y130 PolarHBondContact O-N 3.34Å; L127-H146 PolarHBondContact O-CE1 2.97Å
128	A	94.1	Very high	93.3	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-35.4	-178.6	0	0	0	0	0	112.5	C116 C119 E120 R124 S125 Y130 H146	C116-A128 WeakPolarHBondContact CB-O 3.39Å; C116-A128 PolarHBondContact N-O 3.18Å; C119-A128 HydrophobicContact CB-CB 3.77Å; E120-A128 HydrophobicContact CG-CB 3.78Å; R124-A128 PolarHBondContact O-N 2.83Å; S125-A128 WeakPolarHBondContact O-CB 3.13Å; S125-A128 PolarHBondContact O-N 3.09Å; S125-A128 VanDerWaalsContact O-N 3.13Å; A128-Y130 VanDerWaalsContact C-N 3.35Å; A128-H146 PolarHBondContact O-CE1 3.03Å
129	N	93.7	Very high	93	Very high	91 Å²	91	63 Å²	63	49%	0.487	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	13.1	-179.8	-56.3	-10.6	0	0	0	112.7	G113 S115 L127	G113-N129 WeakPolarHBondContact CA-O 3.38Å; S115-N129 WeakPolarHBondContact CA-OD1 3.35Å; S115-N129 WeakPolarHBondContact CB-OD1 3.35Å; L127-N129 VanDerWaalsContact C-N 3.29Å; L127-N129 PolarHBondContact O-N 2.75Å
130	Y	93.4	Very high	92.7	Very high	80 Å²	80	70.9 Å²	70.9	31%	0.314	36%	0.358	S	S	.	.	S	Bend	trans	-79.4	137.7	-179.9	-180	-79.9	0	0	0	110.9	C59 C62 P63 L127 A128 H146	C59-Y130 VanDerWaalsContact O-CE1 3.29Å; C59-Y130 WeakPolarHBondContact O-CE1 3.28Å; C59-Y130 PolarHBondContact O-OH 3.29Å; C59-Y130 VanDerWaalsContact O-OH 3.05Å; C62-Y130 WeakPolarHBondContact O-CE1 3.42Å; P63-Y130 HydrophobicContact CB-CD1 4.05Å; P63-Y130 HydrophobicContact CB-CG 4.17Å; L127-Y130 VanDerWaalsContact O-CB 3.31Å; L127-Y130 WeakPolarHBondContact O-CB 3.37Å; L127-Y130 PolarHBondContact O-N 3.34Å; A128-Y130 VanDerWaalsContact C-N 3.35Å; Y130-H146 PolarHBondContact O-CD2 2.85Å; Y130-H146 PolarHBondContact O-NE2 3.24Å
131	G	92.9	Very high	92.8	Very high	19 Å²	19	67.1 Å²	67.1	20%	0.196	34%	0.341	C	S	.	.	S	Bend	trans	62.6	-139.1	173.1	0	0	0	0	0	113.2	D60 L112 G113	D60-G131 WeakPolarHBondContact O-CA 3.45Å; L112-G131 WeakPolarHBondContact CA-O 3.47Å; G113-G131 PolarHBondContact N-O 3.35Å
132	A	94.4	Very high	92.8	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-118.4	132.5	-171.3	0	0	0	0	0	112.5	L61 I88 V107 R111 L112	L61-A132 HydrophobicContact CD2-CB 4.02Å; L61-A132 PolarHBondContact O-N 2.78Å; I88-A132 HydrophobicContact CD1-CB 3.86Å; V107-A132 HydrophobicContact CG1-CB 4.07Å; R111-A132 HydrophobicContact CB-CB 4.35Å; R111-A132 WeakPolarHBondContact O-CA 3.27Å; L112-A132 HydrophobicContact CD2-CB 3.94Å
133	C	95.4	Very high	92.9	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.007	35%	0.345	C	S	.	.			trans	-107.7	146.6	172.7	-70.2	0	0	0	0	112.3	R111 R114 H144 F145 H146	R111-C133 PolarHBondContact O-N 2.86Å; R114-C133 HydrophobicContact CB-CB 4.03Å; R114-C133 PolarHBondContact O-SG 2.78Å; C133-H144 HydrophobicContact CB-CB 4.06Å; C133-F145 CarbonylContact C-O 3.55Å; C133-F145 VanDerWaalsContact CA-O 3.3Å; C133-F145 WeakPolarHBondContact CA-O 3.32Å; C133-F145 WeakPolarHBondContact CB-O 3.48Å; C133-F145 VanDerWaalsContact SG-C 3.53Å; C133-H146 VanDerWaalsContact SG-CD2 3.6Å
134	I	94.4	Very high	93.3	Very high	11 Å²	11	62.1 Å²	62.1	6%	0.056	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	158.1	164.8	58.1	166	0	0	0	110.1	I88 H144 F145 V147 L156	I88-I134 HydrophobicContact CG1-CG2 3.83Å; I134-H144 CarbonylContact O-C 3.15Å; I134-H144 WeakPolarHBondContact O-CA 3.26Å; I134-F145 HydrophobicContact CD1-CD2 4.4Å; I134-F145 HydrophobicContact CD1-CE2 3.67Å; I134-F145 HydrophobicContact CD1-CZ 4.36Å; I134-F145 HydrophobicContact CG1-CD2 3.93Å; I134-F145 HydrophobicContact CG1-CE2 3.55Å; I134-F145 HydrophobicContact CG1-CZ 4.22Å; I134-F145 PolarHBondContact N-O 3.47Å; I134-F145 PolarHBondContact O-N 2.97Å; I134-V147 HydrophobicContact CD1-CG2 3.95Å; I134-V147 HydrophobicContact CG1-CG2 4.12Å; I134-V147 HydrophobicContact CG2-CG2 4.23Å; I134-L156 HydrophobicContact CD1-CD2 4.47Å
135	Q	94.2	Very high	93.6	Very high	94 Å²	94	58.4 Å²	58.4	44%	0.439	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	152.3	177.1	-174.1	177.9	-19	0	0	110.4	A137 C141	Q135-A137 PolarHBondContact O-N 2.7Å; Q135-C141 PolarHBondContact NE2-O 2.88Å
136	C	95.7	Very high	94	Very high	5 Å²	5	55 Å²	55	3%	0.034	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-61.6	123.3	170.3	-175.3	0	0	0	0	111.5	W138 C141 L143 F145 G213 C215	C136-W138 PolarHBondContact O-N 2.93Å; C136-W138 VanDerWaalsContact O-N 3.09Å; C136-C141 HydrophobicContact CB-CB 3.87Å; C136-C141 VanDerWaalsContact CB-SG 3.54Å; C136-L143 PolarHBondContact N-O 2.8Å; C136-F145 HydrophobicContact CB-CE1 3.95Å; C136-G213 WeakPolarHBondContact CA-O 3.41Å; C136-C215 HydrophobicContact CB-CB 4.12Å; C136-C215 PolarHBondContact SG-N 3.45Å; C136-C215 VanDerWaalsContact SG-N 3.38Å
137	A	94.1	Very high	94.1	Very high	27 Å²	27	49.5 Å²	49.5	22%	0.223	24%	0.238	C	C	.	.			trans	-70.7	-0.8	-178.8	0	0	0	0	0	115.2	Q135 N212 G213 F214 F223	Q135-A137 PolarHBondContact O-N 2.7Å; A137-N212 HydrophobicContact CB-CB 3.72Å; A137-N212 WeakPolarHBondContact CB-OD1 3.04Å; A137-G213 PolarHBondContact N-O 3.27Å; A137-F214 HydrophobicContact CB-CD1 4.46Å; A137-F214 HydrophobicContact CB-CE1 3.87Å; A137-F214 HydrophobicContact CB-CZ 4.32Å; A137-F223 HydrophobicContact CB-CE2 4.26Å; A137-F223 WeakPolarHBondContact O-CD2 3.44Å; A137-F223 WeakPolarHBondContact O-CE2 3.06Å
138	W	93.1	Very high	94.3	Very high	38 Å²	38	46.8 Å²	46.8	14%	0.144	23%	0.225	C	C	.	.	S	Bend	trans	-79.2	135.2	176.2	174.8	-105.8	0	0	0	111.2	C136 N140 C141 F214 H219 K222 F223 E226	C136-W138 PolarHBondContact O-N 2.93Å; C136-W138 VanDerWaalsContact O-N 3.09Å; W138-N140 PolarHBondContact O-N 2.95Å; W138-C141 HydrophobicContact CB-CB 4.33Å; W138-C141 VanDerWaalsContact O-CB 3.24Å; W138-C141 WeakPolarHBondContact O-CB 3.49Å; W138-C141 PolarHBondContact O-N 3.07Å; W138-F214 HydrophobicContact CB-CD1 4.49Å; W138-H219 HydrophobicContact CB-CB 3.7Å; W138-H219 AromaticContact CD1-CD2 3.48Å; W138-H219 VanDerWaalsContact CD1-CD2 3.48Å; W138-H219 AromaticContact CD1-CE1 3.72Å; W138-H219 AromaticContact CD1-CG 3.6Å; W138-H219 AromaticContact CD1-ND1 3.72Å; W138-H219 AromaticContact CD1-NE2 3.58Å; W138-H219 HydrophobicContact CG-CB 3.95Å; W138-H219 AromaticContact CG-CD2 3.91Å; W138-H219 AromaticContact CG-CG 3.7Å; W138-H219 AromaticContact NE1-CD2 3.92Å; W138-K222 HydrophobicContact CD2-CB 4.29Å; W138-K222 HydrophobicContact CE3-CB 3.85Å; W138-K222 HydrophobicContact CH2-CB 3.55Å; W138-K222 HydrophobicContact CH2-CD 4Å; W138-K222 HydrophobicContact CH2-CG 4.36Å; W138-K222 HydrophobicContact CZ2-CB 4Å; W138-K222 HydrophobicContact CZ2-CD 3.68Å; W138-K222 HydrophobicContact CZ2-CG 4.49Å; W138-K222 HydrophobicContact CZ3-CB 3.47Å; W138-K222 VanDerWaalsContact CZ3-CB 3.47Å; W138-F223 HydrophobicContact CE3-CB 4.05Å; W138-E226 HydrophobicContact CH2-CG 4.33Å; W138-E226 WeakPolarHBondContact CH2-OE1 3.46Å; W138-E226 HydrophobicContact CZ3-CG 4.32Å
139	K	90.3	Very high	94.3	Very high	134 Å²	134	47 Å²	47	58%	0.583	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.5	135.7	-179.1	-66.1	169.9	-175.8	161.7	0	111.3	C141 E226	K139-C141 PolarHBondContact O-N 3.27Å; K139-E226 IonicContact NZ-OE2 3.59Å; K139-E226 PolarHBondContact NZ-OE2 2.66Å
140	N	89.6	Confident	94.4	Very high	164 Å²	164	42.6 Å²	42.6	88%	0.877	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	-2.4	-177.9	-57.3	24.4	0	0	0	116.1	W138 R142	W138-N140 PolarHBondContact O-N 2.95Å; N140-R142 PolarHBondContact O-N 2.86Å
141	C	94.6	Very high	94.4	Very high	7 Å²	7	40.2 Å²	40.2	5%	0.047	20%	0.198	C	C	.	.			trans	-78.8	122.1	179.1	-167	0	0	0	0	111.9	Q135 C136 W138 K139 H219	Q135-C141 PolarHBondContact NE2-O 2.88Å; C136-C141 HydrophobicContact CB-CB 3.87Å; C136-C141 VanDerWaalsContact CB-SG 3.54Å; W138-C141 HydrophobicContact CB-CB 4.33Å; W138-C141 VanDerWaalsContact O-CB 3.24Å; W138-C141 WeakPolarHBondContact O-CB 3.49Å; W138-C141 PolarHBondContact O-N 3.07Å; K139-C141 PolarHBondContact O-N 3.27Å; C141-H219 VanDerWaalsContact SG-CE1 3.56Å
142	R	93.2	Very high	94.4	Very high	212 Å²	212	44.7 Å²	44.7	80%	0.8	22%	0.221	S	C	*	.			trans	-102.5	12.9	179.7	-58.2	-176.5	-176.9	-176.1	0.3	113.7	N140 H144	N140-R142 PolarHBondContact O-N 2.86Å; R142-H144 PolarHBondContact O-CE1 3.23Å; R142-H144 PolarHBondContact O-ND1 2.9Å
143	L	95.4	Very high	94.3	Very high	50 Å²	50	48.9 Å²	48.9	26%	0.262	24%	0.24	S	C	.	.			trans	-80.3	140.2	-179.1	-65	177.3	0	0	0	111.5	I117 C136 C215	I117-L143 HydrophobicContact CD1-CD1 3.77Å; I117-L143 HydrophobicContact CD1-CD2 4.14Å; I117-L143 HydrophobicContact CD1-CG 4.45Å; C136-L143 PolarHBondContact N-O 2.8Å; L143-C215 HydrophobicContact CB-CB 3.87Å; L143-C215 HydrophobicContact CD1-CB 4.03Å
144	H	95.6	Very high	94.2	Very high	40 Å²	40	51 Å²	51	19%	0.185	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.7	-173.6	-70.5	73.6	0	0	0	111.5	R114 S115 C116 I117 C133 I134 R142	R114-H144 HydrophobicContact CB-CB 4.39Å; S115-H144 WeakPolarHBondContact O-CB 3.43Å; C116-H144 WeakPolarHBondContact CA-O 3.46Å; I117-H144 PolarHBondContact N-O 3.26Å; C133-H144 HydrophobicContact CB-CB 4.06Å; I134-H144 CarbonylContact O-C 3.15Å; I134-H144 WeakPolarHBondContact O-CA 3.26Å; R142-H144 PolarHBondContact O-CE1 3.23Å; R142-H144 PolarHBondContact O-ND1 2.9Å
145	F	96.9	Very high	94.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	156.2	178.6	46.4	-91.2	0	0	0	113.5	I117 F118 C133 I134 C136 A150 G213 C215	I117-F145 HydrophobicContact CG2-CB 4.45Å; F118-F145 HydrophobicContact CD2-CB 3.51Å; F118-F145 HydrophobicContact CD2-CG 4.12Å; F118-F145 HydrophobicContact CE2-CB 3.53Å; F118-F145 HydrophobicContact CE2-CD1 4.02Å; F118-F145 HydrophobicContact CE2-CD2 4.09Å; F118-F145 AromaticContact CE2-CG 3.59Å; F118-F145 HydrophobicContact CE2-CG 3.59Å; C133-F145 CarbonylContact C-O 3.55Å; C133-F145 VanDerWaalsContact CA-O 3.3Å; C133-F145 WeakPolarHBondContact CA-O 3.32Å; C133-F145 WeakPolarHBondContact CB-O 3.48Å; C133-F145 VanDerWaalsContact SG-C 3.53Å; I134-F145 HydrophobicContact CD1-CD2 4.4Å; I134-F145 HydrophobicContact CD1-CE2 3.67Å; I134-F145 HydrophobicContact CD1-CZ 4.36Å; I134-F145 HydrophobicContact CG1-CD2 3.93Å; I134-F145 HydrophobicContact CG1-CE2 3.55Å; I134-F145 HydrophobicContact CG1-CZ 4.22Å; I134-F145 PolarHBondContact N-O 3.47Å; I134-F145 PolarHBondContact O-N 2.97Å; C136-F145 HydrophobicContact CB-CE1 3.95Å; F145-A150 HydrophobicContact CD2-CB 3.53Å; F145-A150 HydrophobicContact CE2-CB 3.67Å; F145-A150 HydrophobicContact CG-CB 4.45Å; F145-G213 VanDerWaalsContact CZ-C 3.44Å; F145-C215 HydrophobicContact CD1-CB 4.15Å; F145-C215 HydrophobicContact CE1-CB 4.05Å
146	H	97	Very high	94.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.			trans	-66.9	137.9	166.4	-52.2	116.5	0	0	0	110.6	C62 P63 C116 L127 A128 Y130 C133 S148 C149 A150	C62-H146 HydrophobicContact CB-CB 4Å; P63-H146 VanDerWaalsContact CD-CE1 3.42Å; P63-H146 WeakPolarHBondContact CD-CE1 3.35Å; P63-H146 WeakPolarHBondContact CD-ND1 3.39Å; C116-H146 WeakPolarHBondContact CB-CE1 3.41Å; C116-H146 VanDerWaalsContact CB-ND1 3.32Å; C116-H146 WeakPolarHBondContact CB-ND1 3.24Å; C116-H146 PolarHBondContact SG-N 3.05Å; C116-H146 VanDerWaalsContact SG-N 3.38Å; C116-H146 PolarHBondContact SG-ND1 3.37Å; L127-H146 PolarHBondContact O-CE1 2.97Å; A128-H146 PolarHBondContact O-CE1 3.03Å; Y130-H146 PolarHBondContact O-CD2 2.85Å; Y130-H146 PolarHBondContact O-NE2 3.24Å; C133-H146 VanDerWaalsContact SG-CD2 3.6Å; H146-S148 VanDerWaalsContact C-N 3.27Å; H146-S148 PolarHBondContact O-N 3.45Å; H146-C149 HydrophobicContact CB-CB 4.18Å; H146-C149 PolarHBondContact O-N 2.92Å; H146-A150 PolarHBondContact O-N 3.09Å; H146-A150 VanDerWaalsContact O-N 3.11Å
147	V	96	Very high	93.8	Very high	1 Å²	1	48 Å²	48	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-50	-48.7	173.1	179.4	0	0	0	0	111.4	V83 Y87 I88 I134 C149 A150 S151 L156	V83-V147 HydrophobicContact CG2-CG1 4.13Å; V83-V147 WeakPolarHBondContact O-CG1 3.48Å; Y87-V147 HydrophobicContact CD2-CG1 3.84Å; Y87-V147 HydrophobicContact CG-CG1 3.86Å; I88-V147 HydrophobicContact CD1-CG2 4.26Å; I88-V147 HydrophobicContact CG1-CG2 3.89Å; I134-V147 HydrophobicContact CD1-CG2 3.95Å; I134-V147 HydrophobicContact CG1-CG2 4.12Å; I134-V147 HydrophobicContact CG2-CG2 4.23Å; V147-C149 VanDerWaalsContact C-N 3.29Å; V147-C149 PolarHBondContact O-N 3.38Å; V147-A150 PolarHBondContact O-N 3.48Å; V147-S151 WeakPolarHBondContact O-CB 3.33Å; V147-S151 PolarHBondContact O-N 2.97Å; V147-L156 HydrophobicContact CG1-CD1 3.8Å; V147-L156 HydrophobicContact CG1-CD2 4.31Å
148	S	95.5	Very high	93.3	Very high	7 Å²	7	53.1 Å²	53.1	5%	0.049	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-29.9	-178.4	61.5	0	0	0	0	113.5	C62 H146 S151 V152	C62-S148 VanDerWaalsContact CB-OG 3.31Å; C62-S148 WeakPolarHBondContact CB-OG 3.46Å; C62-S148 PolarHBondContact SG-OG 3.36Å; H146-S148 VanDerWaalsContact C-N 3.27Å; H146-S148 PolarHBondContact O-N 3.45Å; S148-S151 WeakPolarHBondContact O-CB 3.49Å; S148-V152 WeakPolarHBondContact O-CG2 3.33Å; S148-V152 PolarHBondContact O-N 2.87Å
149	C	95.9	Very high	92.8	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.034	27%	0.266	C	S	.	.	H	α-helix	trans	-72.8	-43.5	173.9	-68.6	0	0	0	0	111.2	F118 H146 V147 S151 V152 E153	F118-C149 HydrophobicContact CB-CB 3.87Å; F118-C149 HydrophobicContact CD2-CB 3.82Å; F118-C149 HydrophobicContact CG-CB 4.23Å; H146-C149 HydrophobicContact CB-CB 4.18Å; H146-C149 PolarHBondContact O-N 2.92Å; V147-C149 VanDerWaalsContact C-N 3.29Å; V147-C149 PolarHBondContact O-N 3.38Å; C149-S151 VanDerWaalsContact C-N 3.26Å; C149-S151 PolarHBondContact O-N 3.33Å; C149-V152 PolarHBondContact O-N 2.91Å; C149-E153 WeakPolarHBondContact O-CG 3.42Å; C149-E153 PolarHBondContact O-N 3.48Å
150	A	95.2	Very high	91.9	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.5	-29.2	173.2	0	0	0	0	0	113	F118 F145 H146 V147 E153 G154 L155 L156	F118-A150 HydrophobicContact CE2-CB 4.01Å; F145-A150 HydrophobicContact CD2-CB 3.53Å; F145-A150 HydrophobicContact CE2-CB 3.67Å; F145-A150 HydrophobicContact CG-CB 4.45Å; H146-A150 PolarHBondContact O-N 3.09Å; H146-A150 VanDerWaalsContact O-N 3.11Å; V147-A150 PolarHBondContact O-N 3.48Å; A150-E153 PolarHBondContact O-N 2.88Å; A150-G154 PolarHBondContact O-N 3.48Å; A150-G154 VanDerWaalsContact O-N 3.16Å; A150-L155 HydrophobicContact CB-CB 4.39Å; A150-L155 PolarHBondContact O-N 3.12Å; A150-L156 HydrophobicContact CB-CD2 3.65Å; A150-L156 HydrophobicContact CB-CG 4.05Å
151	S	93.8	Very high	90.7	Very high	30 Å²	30	39.2 Å²	39.2	21%	0.21	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-49.5	172.8	-178.7	0	0	0	0	111.4	V147 S148 C149 E153 G154	V147-S151 WeakPolarHBondContact O-CB 3.33Å; V147-S151 PolarHBondContact O-N 2.97Å; S148-S151 WeakPolarHBondContact O-CB 3.49Å; C149-S151 VanDerWaalsContact C-N 3.26Å; C149-S151 PolarHBondContact O-N 3.33Å; S151-E153 VanDerWaalsContact C-N 3.3Å; S151-E153 PolarHBondContact O-N 3.48Å; S151-G154 PolarHBondContact O-N 3.43Å
152	V	92.2	Very high	88.9	Confident	112 Å²	112	43.9 Å²	43.9	68%	0.679	24%	0.238	S	C	*	.	H	α-helix	trans	-60.1	-37.9	177.1	170.6	0	0	0	0	112.2	I64 S148 C149 G154	I64-V152 HydrophobicContact CD1-CG2 4.23Å; S148-V152 WeakPolarHBondContact O-CG2 3.33Å; S148-V152 PolarHBondContact O-N 2.87Å; C149-V152 PolarHBondContact O-N 2.91Å; V152-G154 VanDerWaalsContact C-N 3.28Å; V152-G154 PolarHBondContact O-N 3.32Å
153	E	92.6	Very high	87.1	Confident	89 Å²	89	38.9 Å²	38.9	42%	0.416	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.3	176.9	-60.2	-71.3	155.9	0	0	113.6	F118 C149 A150 S151 L155	F118-E153 HydrophobicContact CD1-CG 3.96Å; F118-E153 HydrophobicContact CE1-CG 4.05Å; F118-E153 HydrophobicContact CG-CG 4.39Å; C149-E153 WeakPolarHBondContact O-CG 3.42Å; C149-E153 PolarHBondContact O-N 3.48Å; A150-E153 PolarHBondContact O-N 2.88Å; S151-E153 VanDerWaalsContact C-N 3.3Å; S151-E153 PolarHBondContact O-N 3.48Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 HydrophobicContact CB-CB 4.46Å; E153-L155 HydrophobicContact CB-CD1 3.74Å; E153-L155 HydrophobicContact CB-CG 3.82Å; E153-L155 PolarHBondContact O-N 3.07Å
154	G	92.4	Very high	84.9	Confident	45 Å²	45	38.1 Å²	38.1	46%	0.464	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	20.7	-177	0	0	0	0	0	114.8	A150 S151 V152 K220	A150-G154 PolarHBondContact O-N 3.48Å; A150-G154 VanDerWaalsContact O-N 3.16Å; S151-G154 PolarHBondContact O-N 3.43Å; V152-G154 VanDerWaalsContact C-N 3.28Å; V152-G154 PolarHBondContact O-N 3.32Å; G154-K220 PolarHBondContact O-NZ 2.99Å
155	L	94.4	Very high	82.7	Confident	8 Å²	8	42.1 Å²	42.1	4%	0.042	25%	0.247	C	C	.	.			trans	-101.6	9.7	-170.4	-61.9	178.2	0	0	0	114.8	F118 A150 E153 F214	F118-L155 HydrophobicContact CE1-CD1 3.83Å; F118-L155 HydrophobicContact CZ-CD1 3.57Å; A150-L155 HydrophobicContact CB-CB 4.39Å; A150-L155 PolarHBondContact O-N 3.12Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 HydrophobicContact CB-CB 4.46Å; E153-L155 HydrophobicContact CB-CD1 3.74Å; E153-L155 HydrophobicContact CB-CG 3.82Å; E153-L155 PolarHBondContact O-N 3.07Å; L155-F214 VanDerWaalsContact CB-O 3.26Å; L155-F214 WeakPolarHBondContact CB-O 3.21Å; L155-F214 WeakPolarHBondContact O-CD2 3.42Å; L155-F214 PolarHBondContact O-N 2.88Å
156	L	93.1	Very high	81	Confident	12 Å²	12	44.4 Å²	44.4	6%	0.063	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-81.7	159	164.5	-61.8	179.8	0	0	0	111	V83 Y87 I134 V147 A150 N212 K220	V83-L156 HydrophobicContact CG2-CD1 4.26Å; Y87-L156 HydrophobicContact CD1-CD1 4.35Å; Y87-L156 HydrophobicContact CD1-CD2 3.95Å; Y87-L156 HydrophobicContact CD2-CD1 4.21Å; Y87-L156 HydrophobicContact CE1-CB 3.71Å; Y87-L156 HydrophobicContact CE1-CD1 4Å; Y87-L156 HydrophobicContact CE1-CD2 3.96Å; Y87-L156 HydrophobicContact CE1-CG 4.09Å; Y87-L156 HydrophobicContact CE2-CD1 3.82Å; Y87-L156 HydrophobicContact CG-CD1 4.45Å; I134-L156 HydrophobicContact CD1-CD2 4.47Å; V147-L156 HydrophobicContact CG1-CD1 3.8Å; V147-L156 HydrophobicContact CG1-CD2 4.31Å; A150-L156 HydrophobicContact CB-CD2 3.65Å; A150-L156 HydrophobicContact CB-CG 4.05Å; L156-N212 CarbonylContact C-O 3.54Å; L156-K220 PolarHBondContact O-NZ 3.47Å
157	S	89.2	Confident	79.4	Confident	28 Å²	28	47.9 Å²	47.9	20%	0.196	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-62.9	154.9	160.4	65.2	0	0	0	0	109.9	Y87 N212	Y87-S157 PolarHBondContact OH-O 3.25Å; S157-N212 PolarHBondContact N-O 2.79Å; S157-N212 PolarHBondContact OG-N 2.71Å; S157-N212 PolarHBondContact OG-O 2.72Å
158	E	84.1	Confident	78.4	Confident	133 Å²	133	49.9 Å²	49.9	62%	0.621	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-69.2	152.8	170.7	-74.9	149.1	-134.2	0	0	110.1
159	L	81.2	Confident	77.7	Confident	9 Å²	9	49.7 Å²	49.7	5%	0.047	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-95.3	144.9	176.1	-65.6	111.8	0	0	0	110.3	V5 C6 I86 Y87 A161 I170 L174 L211	V5-L159 WeakPolarHBondContact O-CD1 3.43Å; C6-L159 HydrophobicContact CB-CB 4.46Å; C6-L159 HydrophobicContact CB-CD1 4.22Å; I86-L159 HydrophobicContact CD1-CD2 4.46Å; I86-L159 HydrophobicContact CG2-CD2 3.5Å; Y87-L159 HydrophobicContact CE2-CD1 3.94Å; Y87-L159 HydrophobicContact CE2-CD2 3.97Å; Y87-L159 HydrophobicContact CE2-CG 4.11Å; Y87-L159 WeakPolarHBondContact OH-CD1 3.49Å; Y87-L159 WeakPolarHBondContact OH-CG 3.41Å; L159-A161 VanDerWaalsContact C-N 3.3Å; L159-A161 PolarHBondContact O-N 3.2Å; L159-I170 HydrophobicContact CD2-CG2 3.88Å; L159-L174 HydrophobicContact CD2-CD1 4.38Å; L159-L211 HydrophobicContact CD2-CD1 3.63Å; L159-L211 HydrophobicContact CG-CD1 4.22Å; L159-L211 HydrophobicContact CG-CD2 4.28Å
160	P	72.9	Confident	77	Confident	14 Å²	14	49.6 Å²	49.6	9%	0.091	30%	0.295	C	S	.	.	S	Bend	trans	-69.4	88.1	172.6	30.1	-34	0	0	0	110.2	I173 L174 Y209	P160-I173 HydrophobicContact CB-CG2 4.16Å; P160-I173 HydrophobicContact CG-CG2 4.02Å; P160-L174 HydrophobicContact CG-CD2 3.59Å; P160-L174 HydrophobicContact CG-CG 4.43Å; P160-Y209 HydrophobicContact CB-CE1 4.46Å; P160-Y209 HydrophobicContact CB-CE2 4.43Å; P160-Y209 HydrophobicContact CG-CD1 4.34Å; P160-Y209 HydrophobicContact CG-CD2 4.15Å; P160-Y209 HydrophobicContact CG-CE1 4.47Å; P160-Y209 HydrophobicContact CG-CE2 4.26Å; P160-Y209 HydrophobicContact CG-CG 4.18Å
161	A	64.3	Low	76.3	Confident	22 Å²	22	49.6 Å²	49.6	18%	0.182	30%	0.295	C	S	.	.			trans	-119.5	12.7	169.5	0	0	0	0	0	111.3	C6 L8 L159 I170	C6-A161 HydrophobicContact CB-CB 4.27Å; L8-A161 HydrophobicContact CD1-CB 4.02Å; L159-A161 VanDerWaalsContact C-N 3.3Å; L159-A161 PolarHBondContact O-N 3.2Å; A161-I170 HydrophobicContact CB-CD1 3.89Å
162	T	55.7	Low	75.6	Confident	105 Å²	105	49.8 Å²	49.8	64%	0.644	29%	0.293	S	S	*	.			trans	-103.9	-1.7	-172.2	48.4	0	0	0	0	113.6	L8 A164	L8-T162 HydrophobicContact CD1-CG2 4Å; T162-A164 PolarHBondContact O-N 3.45Å
163	E	56.7	Low	75	Confident	106 Å²	106	45.8 Å²	45.8	50%	0.495	27%	0.267	S	S	.	.	S	Bend	trans	-76.2	73.7	165.6	-68.1	178.3	-143.2	0	0	108	N165 T166 Y209	E163-N165 PolarHBondContact O-N 3.46Å; E163-T166 PolarHBondContact O-N 3.35Å; E163-T166 PolarHBondContact O-OG1 2.88Å; E163-Y209 PolarHBondContact OE1-OH 3.17Å
164	A	48.7	Very low	74.4	Confident	34 Å²	34	41.6 Å²	41.6	28%	0.281	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-8.9	-142.9	0	0	0	0	0	117	F10 N12 T162	F10-A164 HydrophobicContact CE1-CB 4.1Å; F10-A164 HydrophobicContact CZ-CB 4.5Å; N12-A164 PolarHBondContact ND2-O 3.14Å; T162-A164 PolarHBondContact O-N 3.45Å
165	N	48.7	Very low	73.7	Confident	125 Å²	125	40.7 Å²	40.7	67%	0.668	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-8.9	-170.5	-64	-11.3	0	0	0	113.4	S14 E163	S14-N165 PolarHBondContact OG-O 2.98Å; E163-N165 PolarHBondContact O-N 3.46Å
166	T	60.5	Low	72.3	Confident	48 Å²	48	46 Å²	46	29%	0.294	25%	0.254	S	S	.	.			trans	-91.3	129.4	-171.4	58.2	0	0	0	0	113.4	N15 E163 V168	N15-T166 PolarHBondContact ND2-O 2.88Å; E163-T166 PolarHBondContact O-N 3.35Å; E163-T166 PolarHBondContact O-OG1 2.88Å; T166-V168 HydrophobicContact CG2-CG2 4.23Å
167	S	63.7	Low	70.3	Confident	72 Å²	72	48.3 Å²	48.3	50%	0.503	27%	0.268	S	S	.	.			trans	-81.8	0.1	162.7	53.8	0	0	0	0	112.8
168	V	76.2	Confident	68.2	Low	44 Å²	44	50.9 Å²	50.9	27%	0.267	28%	0.283	S	S	.	.	S	Bend	trans	-57.9	146.4	176.1	179.5	0	0	0	0	110.2	T166 E172 I173	T166-V168 HydrophobicContact CG2-CG2 4.23Å; V168-E172 HydrophobicContact CG1-CB 3.66Å; V168-E172 HydrophobicContact CG1-CG 3.6Å; V168-I173 HydrophobicContact CB-CG1 4.38Å; V168-I173 HydrophobicContact CG1-CG1 3.95Å
169	S	79.3	Confident	66.2	Low	3 Å²	3	49.7 Å²	49.7	2%	0.021	28%	0.281	C	S	.	.			trans	-71.8	151.6	-179.8	110	0	0	0	0	111.7	G30 L96 M99 A171 E172 I173	G30-S169 CarbonylContact O-C 3.28Å; G30-S169 VanDerWaalsContact O-CA 3.32Å; G30-S169 WeakPolarHBondContact O-CA 3.36Å; L96-S169 VanDerWaalsContact O-CB 3.25Å; L96-S169 WeakPolarHBondContact O-CB 3.31Å; L96-S169 PolarHBondContact O-OG 3.21Å; M99-S169 WeakPolarHBondContact CG-OG 3.21Å; S169-A171 PolarHBondContact O-N 3.5Å; S169-A171 PolarHBondContact OG-N 3.43Å; S169-A171 VanDerWaalsContact OG-N 3.1Å; S169-E172 WeakPolarHBondContact O-CB 3.42Å; S169-E172 PolarHBondContact O-N 2.82Å; S169-E172 VanDerWaalsContact O-N 3.11Å; S169-E172 PolarHBondContact OG-N 3.16Å; S169-I173 WeakPolarHBondContact O-CG1 3.3Å; S169-I173 PolarHBondContact O-N 2.82Å
170	I	81.9	Confident	64.3	Low	3 Å²	3	58.9 Å²	58.9	2%	0.015	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-34	173.2	-73	-171.4	0	0	0	111.7	C6 G30 C31 I86 M99 L159 A161 E172 I173 L174	C6-I170 HydrophobicContact CB-CD1 4.18Å; G30-I170 PolarHBondContact O-N 3.27Å; C31-I170 HydrophobicContact CB-CD1 4.36Å; C31-I170 WeakPolarHBondContact SG-CD1 3.22Å; I86-I170 HydrophobicContact CD1-CG2 3.99Å; M99-I170 HydrophobicContact CE-CB 4.47Å; L159-I170 HydrophobicContact CD2-CG2 3.88Å; A161-I170 HydrophobicContact CB-CD1 3.89Å; I170-E172 VanDerWaalsContact C-N 3.28Å; I170-E172 PolarHBondContact O-N 3.12Å; I170-I173 PolarHBondContact O-N 3.39Å; I170-L174 HydrophobicContact CG2-CD1 3.6Å; I170-L174 HydrophobicContact CG2-CG 4.14Å; I170-L174 WeakPolarHBondContact O-CB 3.47Å; I170-L174 WeakPolarHBondContact O-CD1 3.5Å; I170-L174 WeakPolarHBondContact O-CG 3.45Å; I170-L174 PolarHBondContact O-N 3.36Å
171	A	80.2	Confident	62.5	Low	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-63.8	-39.8	175.6	0	0	0	0	0	110.8	F93 L96 M99 S169 L174 F175	F93-A171 HydrophobicContact CD2-CB 3.5Å; F93-A171 VanDerWaalsContact CD2-CB 3.5Å; F93-A171 HydrophobicContact CE2-CB 3.67Å; F93-A171 HydrophobicContact CG-CB 4.33Å; L96-A171 HydrophobicContact CD2-CB 4.31Å; M99-A171 HydrophobicContact CE-CB 3.94Å; M99-A171 HydrophobicContact CG-CB 4.1Å; S169-A171 PolarHBondContact O-N 3.5Å; S169-A171 PolarHBondContact OG-N 3.43Å; S169-A171 VanDerWaalsContact OG-N 3.1Å; A171-L174 PolarHBondContact O-N 3.45Å; A171-F175 HydrophobicContact CB-CD2 4.24Å; A171-F175 HydrophobicContact CB-CE2 4.26Å; A171-F175 VanDerWaalsContact O-CB 3.32Å; A171-F175 WeakPolarHBondContact O-CB 3.12Å; A171-F175 WeakPolarHBondContact O-CD2 3.46Å; A171-F175 VanDerWaalsContact O-CG 3.3Å; A171-F175 WeakPolarHBondContact O-CG 3.31Å; A171-F175 PolarHBondContact O-N 3.21Å; A171-F175 VanDerWaalsContact O-N 3.11Å
172	E	80.5	Confident	60.8	Low	34 Å²	34	72.6 Å²	72.6	16%	0.159	38%	0.382	C	S	.	.	H	α-helix	trans	-68	-44.7	177.3	-172.4	174.4	172.1	0	0	111.6	L96 V168 S169 I170 L174 F175 K176	L96-E172 HydrophobicContact CB-CB 4.19Å; V168-E172 HydrophobicContact CG1-CB 3.66Å; V168-E172 HydrophobicContact CG1-CG 3.6Å; S169-E172 WeakPolarHBondContact O-CB 3.42Å; S169-E172 PolarHBondContact O-N 2.82Å; S169-E172 VanDerWaalsContact O-N 3.11Å; S169-E172 PolarHBondContact OG-N 3.16Å; I170-E172 VanDerWaalsContact C-N 3.28Å; I170-E172 PolarHBondContact O-N 3.12Å; E172-L174 VanDerWaalsContact C-N 3.26Å; E172-L174 PolarHBondContact O-N 3.19Å; E172-F175 PolarHBondContact O-N 3.49Å; E172-K176 HydrophobicContact CG-CB 4.29Å; E172-K176 HydrophobicContact CG-CD 3.76Å; E172-K176 WeakPolarHBondContact O-CB 3.33Å; E172-K176 PolarHBondContact O-N 3.02Å; E172-K176 IonicContact OE1-NZ 2.67Å; E172-K176 PolarHBondContact OE1-NZ 3.15Å
173	I	79	Confident	59.4	Low	27 Å²	27	72.9 Å²	72.9	14%	0.138	39%	0.386	C	S	.	.	H	α-helix	trans	-56.1	-39.9	173.2	-65.3	167.1	0	0	0	111.8	P160 V168 S169 I170	P160-I173 HydrophobicContact CB-CG2 4.16Å; P160-I173 HydrophobicContact CG-CG2 4.02Å; V168-I173 HydrophobicContact CB-CG1 4.38Å; V168-I173 HydrophobicContact CG1-CG1 3.95Å; S169-I173 WeakPolarHBondContact O-CG1 3.3Å; S169-I173 PolarHBondContact O-N 2.82Å; I170-I173 PolarHBondContact O-N 3.39Å
174	L	80.1	Confident	58.2	Low	2 Å²	2	73.2 Å²	73.2	1%	0.01	40%	0.4	C	S	.	.	H	α-helix	trans	-78.6	-21.5	-177.4	-68.4	169.5	0	0	0	114.7	I86 L159 P160 I170 A171 E172 Y209 L211	I86-L174 HydrophobicContact CG2-CD1 3.42Å; I86-L174 VanDerWaalsContact CG2-CD1 3.42Å; L159-L174 HydrophobicContact CD2-CD1 4.38Å; P160-L174 HydrophobicContact CG-CD2 3.59Å; P160-L174 HydrophobicContact CG-CG 4.43Å; I170-L174 HydrophobicContact CG2-CD1 3.6Å; I170-L174 HydrophobicContact CG2-CG 4.14Å; I170-L174 WeakPolarHBondContact O-CB 3.47Å; I170-L174 WeakPolarHBondContact O-CD1 3.5Å; I170-L174 WeakPolarHBondContact O-CG 3.45Å; I170-L174 PolarHBondContact O-N 3.36Å; A171-L174 PolarHBondContact O-N 3.45Å; E172-L174 VanDerWaalsContact C-N 3.26Å; E172-L174 PolarHBondContact O-N 3.19Å; L174-Y209 VanDerWaalsContact CD2-CB 3.43Å; L174-Y209 HydrophobicContact CD2-CD2 4.4Å; L174-Y209 HydrophobicContact CD2-CG 4.16Å; L174-L211 HydrophobicContact CD1-CD1 3.63Å; L174-L211 HydrophobicContact CD2-CD1 3.84Å; L174-L211 HydrophobicContact CD2-CD2 4.3Å; L174-L211 HydrophobicContact CD2-CG 4.02Å; L174-L211 HydrophobicContact CG-CD1 4.42Å
175	F	76.9	Confident	57.3	Low	26 Å²	26	76.6 Å²	76.6	11%	0.114	42%	0.419	C	S	.	.	H	α-helix	trans	-121.4	-15.5	-169.5	-59.2	-41.3	0	0	0	115.2	F93 L96 A171 E172 T177 R208	F93-F175 HydrophobicContact CD2-CE2 4.4Å; L96-F175 HydrophobicContact CD1-CB 4.01Å; L96-F175 HydrophobicContact CD1-CD2 4.49Å; L96-F175 HydrophobicContact CD2-CD2 3.82Å; L96-F175 HydrophobicContact CD2-CE2 4.5Å; A171-F175 HydrophobicContact CB-CD2 4.24Å; A171-F175 HydrophobicContact CB-CE2 4.26Å; A171-F175 VanDerWaalsContact O-CB 3.32Å; A171-F175 WeakPolarHBondContact O-CB 3.12Å; A171-F175 WeakPolarHBondContact O-CD2 3.46Å; A171-F175 VanDerWaalsContact O-CG 3.3Å; A171-F175 WeakPolarHBondContact O-CG 3.31Å; A171-F175 PolarHBondContact O-N 3.21Å; A171-F175 VanDerWaalsContact O-N 3.11Å; E172-F175 PolarHBondContact O-N 3.49Å; F175-T177 PolarHBondContact O-N 2.95Å; F175-R208 HydrophobicContact CD1-CG 4.11Å
176	K	65.7	Low	56.4	Low	120 Å²	120	78 Å²	78	52%	0.522	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	22.4	-176	-161.2	171.9	-170.2	168.6	0	114.9	E172 T178	E172-K176 HydrophobicContact CG-CB 4.29Å; E172-K176 HydrophobicContact CG-CD 3.76Å; E172-K176 WeakPolarHBondContact O-CB 3.33Å; E172-K176 PolarHBondContact O-N 3.02Å; E172-K176 IonicContact OE1-NZ 2.67Å; E172-K176 PolarHBondContact OE1-NZ 3.15Å; K176-T178 VanDerWaalsContact C-N 3.25Å; K176-T178 PolarHBondContact O-N 3.41Å
177	T	50.2	Low	55	Low	59 Å²	59	85.3 Å²	85.3	36%	0.362	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	4	172.1	53.4	0	0	0	0	113.4	F175 Y207	F175-T177 PolarHBondContact O-N 2.95Å; T177-Y207 WeakPolarHBondContact CG2-O 3.31Å; T177-Y207 PolarHBondContact OG1-O 3.28Å
178	T	44.7	Very low	53.4	Low	82 Å²	82	87.4 Å²	87.4	50%	0.503	47%	0.466	S	S	.	.	S	Bend	trans	-80.2	-31	-177.9	47.6	0	0	0	0	114.4	K176	K176-T178 VanDerWaalsContact C-N 3.25Å; K176-T178 PolarHBondContact O-N 3.41Å
179	D	44	Very low	51.1	Low	108 Å²	108	93 Å²	93	58%	0.578	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-95.7	-0.3	-156.6	-60.9	-6.3	0	0	0	114.9	N181 K182	D179-N181 PolarHBondContact O-N 3.31Å; D179-K182 PolarHBondContact O-N 2.86Å
180	K	41.1	Very low	48.8	Very low	202 Å²	202	100.1 Å²	100.1	88%	0.878	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-72	-2.8	176	-74.7	-163.5	173.6	-173.1	0	114.4
181	N	33.9	Very low	46.5	Very low	156 Å²	156	104.1 Å²	104.1	83%	0.834	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-101.7	23.8	172.9	-74.2	-2.3	0	0	0	113.5	D179 P183	D179-N181 PolarHBondContact O-N 3.31Å; N181-P183 WeakPolarHBondContact O-CD 3.32Å
182	K	28.7	Very low	44.2	Very low	168 Å²	168	109.8 Å²	109.8	73%	0.73	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-78.7	120.4	164.2	-171.4	-171.3	176.9	-175.4	0	109.3	D179	D179-K182 PolarHBondContact O-N 2.86Å
183	P	27.7	Very low	41.8	Very low	111 Å²	111	116.6 Å²	116.6	72%	0.721	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-60.2	140.9	170.5	-21.2	33.6	0	0	0	111	N181	N181-P183 WeakPolarHBondContact O-CD 3.32Å
184	S	29.7	Very low	39.6	Very low	113 Å²	113	121.2 Å²	121.2	79%	0.79	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-56.7	139.7	170.9	-60.4	0	0	0	0	110.2	N186	S184-N186 PolarHBondContact O-N 3.01Å
185	P	31	Very low	37.2	Very low	106 Å²	106	125.9 Å²	125.9	69%	0.688	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-69.2	119.8	-173.8	27.7	-34.1	0	0	0	111.8
186	N	28.7	Very low	35.2	Very low	155 Å²	155	133.5 Å²	133.5	83%	0.829	72%	0.718	S	S	*	*			trans	29.5	101.4	154.6	-56.2	1.8	0	0	0	117.6	S184	S184-N186 PolarHBondContact O-N 3.01Å
187	F	31.2	Very low	33.7	Very low	201 Å²	201	136.9 Å²	136.9	88%	0.882	74%	0.735	S	S	*	*			trans	-107.5	148.9	134.3	-86.8	-91.7	0	0	0	108.7
188	P	31.7	Very low	32.7	Very low	116 Å²	116	141.6 Å²	141.6	75%	0.753	76%	0.755	S	S	*	*			trans	-75.7	167.6	-166	-16.7	33.2	0	0	0	114.5
189	D	27.5	Very low	31.9	Very low	162 Å²	162	145 Å²	145	87%	0.866	77%	0.77	S	S	*	*			trans	-50.1	142.9	-176.5	-53	-84.5	0	0	0	115.6
190	D	30.1	Very low	31.4	Very low	151 Å²	151	149.2 Å²	149.2	81%	0.807	79%	0.786	S	S	*	*				-144	114.8	120.2	-154.7	-0.6	0	0	0	112.6
191	S	34.2	Very low	30.8	Very low	88 Å²	88	145.8 Å²	145.8	62%	0.615	78%	0.778	S	S	*	*			trans	51.1	106.3	149	-58.8	0	0	0	0	123.4
192	T	31.2	Very low	30.5	Very low	118 Å²	118	144.1 Å²	144.1	72%	0.724	78%	0.777	S	S	*	*				67.1	117.6	125.3	58.4	0	0	0	0	123.3
193	E	30.7	Very low	30.6	Very low	178 Å²	178	141.8 Å²	141.8	83%	0.832	77%	0.768	S	S	*	*			trans	69.1	158	132.1	-62.8	-160	129.6	0	0	119.8
194	L	32.2	Very low	30.9	Very low	123 Å²	123	144.9 Å²	144.9	64%	0.644	77%	0.773	S	S	*	*			cis	-136.1	146	5.9	-167.2	68.2	0	0	0	111.8
195	S	31.1	Very low	31	Very low	101 Å²	101	145.8 Å²	145.8	71%	0.706	77%	0.765	S	S	*	*			trans	-89	140.3	175.9	54.6	0	0	0	0	113.4
196	K	34.8	Very low	31.1	Very low	186 Å²	186	143.6 Å²	143.6	81%	0.809	75%	0.752	S	S	*	*			trans	-178.1	109.3	152	-98.8	143.8	-170.1	165.9	0	111.4
197	E	33.1	Very low	31.2	Very low	190 Å²	190	145.7 Å²	145.7	89%	0.888	75%	0.75	S	S	*	*				-165.1	165.2	109.6	-107.4	-178.4	-178.7	0	0	110.5
198	M	28.5	Very low	32.2	Very low	158 Å²	158	141 Å²	141	78%	0.778	73%	0.726	S	S	*	*			trans	-92.1	167.5	-172.3	-73.5	88.9	74.2	0	0	113.2
199	N	29.4	Very low	33.8	Very low	154 Å²	154	141.1 Å²	141.1	82%	0.824	71%	0.713	S	S	*	*			trans	86.7	87.8	170.4	-46.1	-43.7	0	0	0	115.9
200	H	33.2	Very low	35.9	Very low	196 Å²	196	140.9 Å²	140.9	91%	0.907	71%	0.706	S	S	*	*			trans	-129.9	132.8	153.1	-97.9	-82.5	0	0	0	110.6
201	N	29.3	Very low	38.5	Very low	131 Å²	131	135 Å²	135	70%	0.701	68%	0.675	S	S	*	*			trans	-59.6	136.5	171.3	-69.3	-9.1	0	0	0	109.8	E203	N201-E203 HydrophobicContact CB-CB 4.05Å; N201-E203 PolarHBondContact O-N 2.91Å
202	C	25.7	Very low	41.3	Very low	121 Å²	121	132.2 Å²	132.2	82%	0.818	65%	0.653	S	S	*	*			trans	-76.9	64.9	167.1	-167.3	0	0	0	0	110	Q204	C202-Q204 PolarHBondContact O-N 2.74Å
203	E	31.9	Very low	44.2	Very low	118 Å²	118	126.7 Å²	126.7	55%	0.551	62%	0.619	S	S	*	*			trans	-95.4	82.7	-174.8	-169.5	135.9	-158.1	0	0	109.4	N201 Q205	N201-E203 HydrophobicContact CB-CB 4.05Å; N201-E203 PolarHBondContact O-N 2.91Å; E203-Q205 HydrophobicContact CG-CG 3.76Å; E203-Q205 PolarHBondContact O-N 2.99Å; E203-Q205 PolarHBondContact OE1-NE2 3.31Å
204	Q	33.5	Very low	47.3	Very low	177 Å²	177	118.3 Å²	118.3	83%	0.827	58%	0.58	S	S	*	*			trans	-70.9	55	179.1	-66.4	-173.5	-10.6	0	0	112.7	C202 S206	C202-Q204 PolarHBondContact O-N 2.74Å; Q204-S206 PolarHBondContact O-N 3.03Å
205	Q	31.6	Very low	50.3	Low	131 Å²	131	113 Å²	113	61%	0.612	55%	0.553	S	S	*	*			trans	-75.2	72.1	170.6	-68.4	-170.4	21.3	0	0	110.2	E203 Y207	E203-Q205 HydrophobicContact CG-CG 3.76Å; E203-Q205 PolarHBondContact O-N 2.99Å; E203-Q205 PolarHBondContact OE1-NE2 3.31Å; Q205-Y207 PolarHBondContact O-N 2.86Å
206	S	33	Very low	53.3	Low	61 Å²	61	109.8 Å²	109.8	43%	0.427	53%	0.531	S	S	.	.			trans	-55	126.1	157.7	176.5	0	0	0	0	108.3	Q204 R208	Q204-S206 PolarHBondContact O-N 3.03Å; S206-R208 PolarHBondContact O-N 3.07Å
207	Y	31.5	Very low	56.1	Low	198 Å²	198	104.3 Å²	104.3	78%	0.776	52%	0.516	S	S	*	.			trans	-71.7	51.9	-174.8	-76.4	-88.8	0	0	0	113.4	T177 Q205 Y209	T177-Y207 WeakPolarHBondContact CG2-O 3.31Å; T177-Y207 PolarHBondContact OG1-O 3.28Å; Q205-Y207 PolarHBondContact O-N 2.86Å; Y207-Y209 PolarHBondContact O-N 3.07Å
208	R	51.1	Low	59	Low	103 Å²	103	101.6 Å²	101.6	39%	0.389	50%	0.503	S	S	.	.			trans	-55.8	130.3	169.7	-78.8	-179.6	152.4	-174.4	-14.1	109.8	P89 F175 S206 Q210	P89-R208 PolarHBondContact O-NH1 3.3Å; F175-R208 HydrophobicContact CD1-CG 4.11Å; S206-R208 PolarHBondContact O-N 3.07Å; R208-Q210 PolarHBondContact O-N 3.48Å
209	Y	65.2	Low	62.1	Low	118 Å²	118	94.7 Å²	94.7	46%	0.463	47%	0.469	S	S	.	.			trans	-55.6	106.3	165.7	-95.5	-73.9	0	0	0	109.2	P160 E163 L174 Y207 L211	P160-Y209 HydrophobicContact CB-CE1 4.46Å; P160-Y209 HydrophobicContact CB-CE2 4.43Å; P160-Y209 HydrophobicContact CG-CD1 4.34Å; P160-Y209 HydrophobicContact CG-CD2 4.15Å; P160-Y209 HydrophobicContact CG-CE1 4.47Å; P160-Y209 HydrophobicContact CG-CE2 4.26Å; P160-Y209 HydrophobicContact CG-CG 4.18Å; E163-Y209 PolarHBondContact OE1-OH 3.17Å; L174-Y209 VanDerWaalsContact CD2-CB 3.43Å; L174-Y209 HydrophobicContact CD2-CD2 4.4Å; L174-Y209 HydrophobicContact CD2-CG 4.16Å; Y207-Y209 PolarHBondContact O-N 3.07Å; Y209-L211 PolarHBondContact O-N 3.32Å
210	Q	71.7	Confident	65.2	Low	158 Å²	158	89 Å²	89	74%	0.738	44%	0.437	S	S	*	.			trans	-76.3	88	-174.2	-164.6	-178.8	44.7	0	0	110.8	R208 N212	R208-Q210 PolarHBondContact O-N 3.48Å; Q210-N212 PolarHBondContact O-ND2 2.84Å
211	L	86.3	Confident	68	Low	27 Å²	27	87.1 Å²	87.1	14%	0.141	43%	0.426	C	S	.	.			trans	-68.7	133.3	173.1	-65.7	177.7	0	0	0	110.5	I86 Y87 L159 L174 Y209	I86-L211 HydrophobicContact CG2-CD1 3.24Å; Y87-L211 HydrophobicContact CD1-CB 3.68Å; Y87-L211 HydrophobicContact CD2-CD1 4.45Å; Y87-L211 HydrophobicContact CE1-CB 3.74Å; Y87-L211 HydrophobicContact CE1-CD1 4.43Å; Y87-L211 HydrophobicContact CE1-CG 4.48Å; Y87-L211 HydrophobicContact CE2-CD1 4.32Å; Y87-L211 HydrophobicContact CG-CB 4.29Å; L159-L211 HydrophobicContact CD2-CD1 3.63Å; L159-L211 HydrophobicContact CG-CD1 4.22Å; L159-L211 HydrophobicContact CG-CD2 4.28Å; L174-L211 HydrophobicContact CD1-CD1 3.63Å; L174-L211 HydrophobicContact CD2-CD1 3.84Å; L174-L211 HydrophobicContact CD2-CD2 4.3Å; L174-L211 HydrophobicContact CD2-CG 4.02Å; L174-L211 HydrophobicContact CG-CD1 4.42Å; Y209-L211 PolarHBondContact O-N 3.32Å
212	N	91.4	Very high	70.9	Confident	29 Å²	29	84.8 Å²	84.8	16%	0.155	41%	0.41	C	S	.	.			trans	-127.9	152.2	-165.5	-84.4	-60.1	0	0	0	111.1	A137 L156 S157 Q210 F214	A137-N212 HydrophobicContact CB-CB 3.72Å; A137-N212 WeakPolarHBondContact CB-OD1 3.04Å; L156-N212 CarbonylContact C-O 3.54Å; S157-N212 PolarHBondContact N-O 2.79Å; S157-N212 PolarHBondContact OG-N 2.71Å; S157-N212 PolarHBondContact OG-O 2.72Å; Q210-N212 PolarHBondContact O-ND2 2.84Å; N212-F214 HydrophobicContact CB-CZ 4.23Å
213	G	92.7	Very high	73.9	Confident	2 Å²	2	82.5 Å²	82.5	2%	0.021	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-127.3	153.8	176.9	0	0	0	0	0	112	C136 A137 F145	C136-G213 WeakPolarHBondContact CA-O 3.41Å; A137-G213 PolarHBondContact N-O 3.27Å; F145-G213 VanDerWaalsContact CZ-C 3.44Å
214	F	95.6	Very high	76.4	Confident	3 Å²	3	82.7 Å²	82.7	1%	0.013	39%	0.388	C	S	.	.			trans	-129.1	142.5	-179.1	-54.4	-76.4	0	0	0	111.9	A137 W138 L155 N212 C216 H219 K220 F223	A137-F214 HydrophobicContact CB-CD1 4.46Å; A137-F214 HydrophobicContact CB-CE1 3.87Å; A137-F214 HydrophobicContact CB-CZ 4.32Å; W138-F214 HydrophobicContact CB-CD1 4.49Å; L155-F214 VanDerWaalsContact CB-O 3.26Å; L155-F214 WeakPolarHBondContact CB-O 3.21Å; L155-F214 WeakPolarHBondContact O-CD2 3.42Å; L155-F214 PolarHBondContact O-N 2.88Å; N212-F214 HydrophobicContact CB-CZ 4.23Å; F214-C216 VanDerWaalsContact C-N 3.32Å; F214-H219 HydrophobicContact CB-CB 4.38Å; F214-H219 HydrophobicContact CD1-CB 4.3Å; F214-K220 HydrophobicContact CB-CB 3.93Å; F214-K220 HydrophobicContact CD1-CB 4.48Å; F214-K220 HydrophobicContact CD2-CB 3.51Å; F214-K220 HydrophobicContact CD2-CD 4Å; F214-K220 HydrophobicContact CD2-CG 3.65Å; F214-K220 HydrophobicContact CE2-CB 4.18Å; F214-K220 HydrophobicContact CE2-CD 4.48Å; F214-K220 HydrophobicContact CE2-CG 3.97Å; F214-K220 HydrophobicContact CG-CB 3.69Å; F214-K220 HydrophobicContact CG-CG 4.35Å; F214-F223 HydrophobicContact CD1-CB 4.42Å; F214-F223 HydrophobicContact CE1-CB 3.49Å; F214-F223 VanDerWaalsContact CE1-CB 3.49Å; F214-F223 HydrophobicContact CE1-CD1 4.05Å; F214-F223 AromaticContact CE1-CD2 3.72Å; F214-F223 HydrophobicContact CE1-CD2 3.72Å; F214-F223 HydrophobicContact CE1-CE2 4.42Å; F214-F223 AromaticContact CE1-CG 3.49Å; F214-F223 HydrophobicContact CE1-CG 3.49Å; F214-F223 VanDerWaalsContact CE1-CG 3.49Å; F214-F223 HydrophobicContact CZ-CB 3.76Å; F214-F223 AromaticContact CZ-CD1 3.58Å; F214-F223 HydrophobicContact CZ-CD1 3.58Å; F214-F223 HydrophobicContact CZ-CD2 4.07Å; F214-F223 HydrophobicContact CZ-CE1 4.14Å; F214-F223 AromaticContact CZ-CG 3.54Å; F214-F223 HydrophobicContact CZ-CG 3.54Å
215	C	95.2	Very high	78.8	Confident	11 Å²	11	78.8 Å²	78.8	7%	0.074	38%	0.381	C	S	.	.	S	Bend	trans	-78.7	-14.2	177.2	64.9	0	0	0	0	113.5	I117 F118 C136 L143 F145 H219	I117-C215 HydrophobicContact CG2-CB 4.46Å; F118-C215 WeakPolarHBondContact CE1-O 3.43Å; F118-C215 WeakPolarHBondContact CZ-O 3.45Å; C136-C215 HydrophobicContact CB-CB 4.12Å; C136-C215 PolarHBondContact SG-N 3.45Å; C136-C215 VanDerWaalsContact SG-N 3.38Å; L143-C215 HydrophobicContact CB-CB 3.87Å; L143-C215 HydrophobicContact CD1-CB 4.03Å; F145-C215 HydrophobicContact CD1-CB 4.15Å; F145-C215 HydrophobicContact CE1-CB 4.05Å; C215-H219 PolarHBondContact SG-ND1 2.96Å
216	C	94.7	Very high	80.7	Confident	34 Å²	34	76.9 Å²	76.9	23%	0.23	37%	0.372	C	S	.	.	S	Bend	trans	-157.4	160.1	176.6	72.4	0	0	0	0	112.1	F214 Q218 H219 K220	F214-C216 VanDerWaalsContact C-N 3.32Å; C216-Q218 PolarHBondContact O-N 3.07Å; C216-H219 PolarHBondContact O-N 2.87Å; C216-H219 VanDerWaalsContact SG-CG 3.58Å; C216-H219 PolarHBondContact SG-N 3.35Å; C216-H219 VanDerWaalsContact SG-N 3.39Å; C216-K220 PolarHBondContact O-N 3.37Å; C216-K220 VanDerWaalsContact O-N 3.15Å
217	S	93.8	Very high	81.8	Confident	71 Å²	71	76.2 Å²	76.2	50%	0.497	37%	0.374	S	S	.	.	H	α-helix	trans	-64.7	-22.3	179.7	-34.9	0	0	0	0	113.2	K221	S217-K221 WeakPolarHBondContact O-CB 3.29Å; S217-K221 VanDerWaalsContact O-CG 3.23Å; S217-K221 WeakPolarHBondContact O-CG 3.32Å; S217-K221 PolarHBondContact O-N 2.87Å
218	Q	93.8	Very high	82.5	Confident	133 Å²	133	75.9 Å²	75.9	62%	0.621	38%	0.377	S	S	*	.	H	α-helix	trans	-70.4	-44.6	174.9	-59.9	-173.6	14.1	0	0	111.1	C216 K221 K222	C216-Q218 PolarHBondContact O-N 3.07Å; Q218-K221 PolarHBondContact O-N 3.46Å; Q218-K222 WeakPolarHBondContact O-CB 3.48Å; Q218-K222 WeakPolarHBondContact O-CG 3.47Å; Q218-K222 PolarHBondContact O-N 2.9Å
219	H	94.5	Very high	81.6	Confident	13 Å²	13	78.7 Å²	78.7	6%	0.06	40%	0.4	C	S	.	.	H	α-helix	trans	-65	-41.8	176.2	-73.3	-179.3	0	0	0	111.6	W138 C141 F214 C215 C216 K221 K222 F223	W138-H219 HydrophobicContact CB-CB 3.7Å; W138-H219 AromaticContact CD1-CD2 3.48Å; W138-H219 VanDerWaalsContact CD1-CD2 3.48Å; W138-H219 AromaticContact CD1-CE1 3.72Å; W138-H219 AromaticContact CD1-CG 3.6Å; W138-H219 AromaticContact CD1-ND1 3.72Å; W138-H219 AromaticContact CD1-NE2 3.58Å; W138-H219 HydrophobicContact CG-CB 3.95Å; W138-H219 AromaticContact CG-CD2 3.91Å; W138-H219 AromaticContact CG-CG 3.7Å; W138-H219 AromaticContact NE1-CD2 3.92Å; C141-H219 VanDerWaalsContact SG-CE1 3.56Å; F214-H219 HydrophobicContact CB-CB 4.38Å; F214-H219 HydrophobicContact CD1-CB 4.3Å; C215-H219 PolarHBondContact SG-ND1 2.96Å; C216-H219 PolarHBondContact O-N 2.87Å; C216-H219 VanDerWaalsContact SG-CG 3.58Å; C216-H219 PolarHBondContact SG-N 3.35Å; C216-H219 VanDerWaalsContact SG-N 3.39Å; H219-K221 PolarHBondContact O-N 2.9Å; H219-K222 PolarHBondContact O-N 3.35Å; H219-F223 WeakPolarHBondContact O-CB 3.32Å; H219-F223 PolarHBondContact O-N 3.31Å
220	K	93.5	Very high	80.1	Confident	34 Å²	34	77.7 Å²	77.7	15%	0.148	41%	0.41	C	S	.	.	H	α-helix	trans	-57.2	-49	171.4	-177	164.1	171.4	172.2	0	111.5	G154 L156 F214 C216 M224	G154-K220 PolarHBondContact O-NZ 2.99Å; L156-K220 PolarHBondContact O-NZ 3.47Å; F214-K220 HydrophobicContact CB-CB 3.93Å; F214-K220 HydrophobicContact CD1-CB 4.48Å; F214-K220 HydrophobicContact CD2-CB 3.51Å; F214-K220 HydrophobicContact CD2-CD 4Å; F214-K220 HydrophobicContact CD2-CG 3.65Å; F214-K220 HydrophobicContact CE2-CB 4.18Å; F214-K220 HydrophobicContact CE2-CD 4.48Å; F214-K220 HydrophobicContact CE2-CG 3.97Å; F214-K220 HydrophobicContact CG-CB 3.69Å; F214-K220 HydrophobicContact CG-CG 4.35Å; C216-K220 PolarHBondContact O-N 3.37Å; C216-K220 VanDerWaalsContact O-N 3.15Å; K220-M224 HydrophobicContact CG-SD 3.82Å; K220-M224 WeakPolarHBondContact O-CB 3.38Å; K220-M224 VanDerWaalsContact O-CG 3.23Å; K220-M224 WeakPolarHBondContact O-CG 3.31Å; K220-M224 PolarHBondContact O-N 3.22Å
221	K	91.9	Very high	78.2	Confident	157 Å²	157	76.3 Å²	76.3	68%	0.683	42%	0.418	S	S	*	.	H	α-helix	trans	-61.3	-46.8	177.6	-77.4	174.7	179.2	-174.4	0	113.1	S217 Q218 H219 M224 S225	S217-K221 WeakPolarHBondContact O-CB 3.29Å; S217-K221 VanDerWaalsContact O-CG 3.23Å; S217-K221 WeakPolarHBondContact O-CG 3.32Å; S217-K221 PolarHBondContact O-N 2.87Å; Q218-K221 PolarHBondContact O-N 3.46Å; H219-K221 PolarHBondContact O-N 2.9Å; K221-M224 CarbonylContact O-C 3.6Å; K221-M224 PolarHBondContact O-N 3.36Å; K221-S225 PolarHBondContact O-N 3.43Å; K221-S225 VanDerWaalsContact O-N 3.07Å; K221-S225 PolarHBondContact O-OG 3.18Å
222	K	91.1	Very high	75.5	Confident	82 Å²	82	79.6 Å²	79.6	36%	0.357	44%	0.443	S	S	.	.	H	α-helix	trans	-63.4	-43.6	179.8	-73	-174.5	178.1	-176	0	111.8	W138 Q218 H219 M224 S225 E226	W138-K222 HydrophobicContact CD2-CB 4.29Å; W138-K222 HydrophobicContact CE3-CB 3.85Å; W138-K222 HydrophobicContact CH2-CB 3.55Å; W138-K222 HydrophobicContact CH2-CD 4Å; W138-K222 HydrophobicContact CH2-CG 4.36Å; W138-K222 HydrophobicContact CZ2-CB 4Å; W138-K222 HydrophobicContact CZ2-CD 3.68Å; W138-K222 HydrophobicContact CZ2-CG 4.49Å; W138-K222 HydrophobicContact CZ3-CB 3.47Å; W138-K222 VanDerWaalsContact CZ3-CB 3.47Å; Q218-K222 WeakPolarHBondContact O-CB 3.48Å; Q218-K222 WeakPolarHBondContact O-CG 3.47Å; Q218-K222 PolarHBondContact O-N 2.9Å; H219-K222 PolarHBondContact O-N 3.35Å; K222-M224 PolarHBondContact O-N 3.49Å; K222-S225 WeakPolarHBondContact CA-OG 3.44Å; K222-S225 PolarHBondContact O-N 3.43Å; K222-S225 PolarHBondContact O-OG 3.2Å; K222-E226 PolarHBondContact O-N 2.85Å
223	F	88.2	Confident	72.6	Confident	72 Å²	72	84.8 Å²	84.8	32%	0.316	48%	0.475	S	S	.	.	H	α-helix	trans	-59.3	-46.8	174.9	-169.7	-84.8	0	0	0	111.2	A137 W138 F214 H219 S225 E226 G227	A137-F223 HydrophobicContact CB-CE2 4.26Å; A137-F223 WeakPolarHBondContact O-CD2 3.44Å; A137-F223 WeakPolarHBondContact O-CE2 3.06Å; W138-F223 HydrophobicContact CE3-CB 4.05Å; F214-F223 HydrophobicContact CD1-CB 4.42Å; F214-F223 HydrophobicContact CE1-CB 3.49Å; F214-F223 VanDerWaalsContact CE1-CB 3.49Å; F214-F223 HydrophobicContact CE1-CD1 4.05Å; F214-F223 AromaticContact CE1-CD2 3.72Å; F214-F223 HydrophobicContact CE1-CD2 3.72Å; F214-F223 HydrophobicContact CE1-CE2 4.42Å; F214-F223 AromaticContact CE1-CG 3.49Å; F214-F223 HydrophobicContact CE1-CG 3.49Å; F214-F223 VanDerWaalsContact CE1-CG 3.49Å; F214-F223 HydrophobicContact CZ-CB 3.76Å; F214-F223 AromaticContact CZ-CD1 3.58Å; F214-F223 HydrophobicContact CZ-CD1 3.58Å; F214-F223 HydrophobicContact CZ-CD2 4.07Å; F214-F223 HydrophobicContact CZ-CE1 4.14Å; F214-F223 AromaticContact CZ-CG 3.54Å; F214-F223 HydrophobicContact CZ-CG 3.54Å; H219-F223 WeakPolarHBondContact O-CB 3.32Å; H219-F223 PolarHBondContact O-N 3.31Å; F223-S225 PolarHBondContact O-N 2.86Å; F223-E226 PolarHBondContact O-N 3.04Å; F223-G227 PolarHBondContact O-N 2.92Å
224	M	84.8	Confident	69.6	Low	122 Å²	122	90 Å²	90	60%	0.601	51%	0.509	S	S	*	.	H	α-helix	trans	-70.1	-3.6	175.9	-64.8	176.8	81.7	0	0	114.6	K220 K221 K222	K220-M224 HydrophobicContact CG-SD 3.82Å; K220-M224 WeakPolarHBondContact O-CB 3.38Å; K220-M224 VanDerWaalsContact O-CG 3.23Å; K220-M224 WeakPolarHBondContact O-CG 3.31Å; K220-M224 PolarHBondContact O-N 3.22Å; K221-M224 CarbonylContact O-C 3.6Å; K221-M224 PolarHBondContact O-N 3.36Å; K222-M224 PolarHBondContact O-N 3.49Å
225	S	84.1	Confident	66.5	Low	96 Å²	96	94 Å²	94	67%	0.671	54%	0.543	S	S	*	.	H	α-helix	trans	-108.1	-20.4	171.8	59.1	0	0	0	0	114.3	K221 K222 F223	K221-S225 PolarHBondContact O-N 3.43Å; K221-S225 VanDerWaalsContact O-N 3.07Å; K221-S225 PolarHBondContact O-OG 3.18Å; K222-S225 WeakPolarHBondContact CA-OG 3.44Å; K222-S225 PolarHBondContact O-N 3.43Å; K222-S225 PolarHBondContact O-OG 3.2Å; F223-S225 PolarHBondContact O-N 2.86Å
226	E	70.7	Confident	63.4	Low	91 Å²	91	100.2 Å²	100.2	43%	0.425	57%	0.574	S	S	.	*	H	α-helix	trans	-88.8	-27.2	170.8	-69.2	-168.6	176.1	0	0	112.6	W138 K139 K222 F223 F228	W138-E226 HydrophobicContact CH2-CG 4.33Å; W138-E226 WeakPolarHBondContact CH2-OE1 3.46Å; W138-E226 HydrophobicContact CZ3-CG 4.32Å; K139-E226 IonicContact NZ-OE2 3.59Å; K139-E226 PolarHBondContact NZ-OE2 2.66Å; K222-E226 PolarHBondContact O-N 2.85Å; F223-E226 PolarHBondContact O-N 3.04Å; E226-F228 PolarHBondContact O-N 3.44Å
227	G	56.1	Low	60.5	Low	46 Å²	46	103.8 Å²	103.8	47%	0.474	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.6	86.6	-175.7	0	0	0	0	0	114.1	F223	F223-G227 PolarHBondContact O-N 2.92Å
228	F	45.5	Very low	57.6	Low	191 Å²	191	109.1 Å²	109.1	84%	0.838	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-168.2	-17.5	134.5	-110.3	-68.3	0	0	0	113.5	E226 S230	E226-F228 PolarHBondContact O-N 3.44Å; F228-S230 PolarHBondContact O-N 3.17Å
229	N	32.5	Very low	54.6	Low	162 Å²	162	106.3 Å²	106.3	87%	0.866	62%	0.622	S	S	*	*			trans	-80	60.2	177.8	-70.6	8.9	0	0	0	112.4
230	S	33.8	Very low	51.8	Low	97 Å²	97	111 Å²	111	68%	0.678	66%	0.656	S	S	*	*			trans	-146	26.2	178.8	-61.1	0	0	0	0	114.8	F228 S232	F228-S230 PolarHBondContact O-N 3.17Å; S230-S232 PolarHBondContact O-N 3.05Å
231	S	31.4	Very low	48.8	Very low	129 Å²	129	115.3 Å²	115.3	90%	0.902	69%	0.686	S	S	*	*			trans	-83.7	69.6	160.9	-66.6	0	0	0	0	110.3
232	S	31	Very low	46.1	Very low	97 Å²	97	115.1 Å²	115.1	68%	0.678	69%	0.692	S	S	*	*			trans	-146.4	80.7	173	63.3	0	0	0	0	109.9	S230	S230-S232 PolarHBondContact O-N 3.05Å
233	V	30.6	Very low	43.6	Very low	137 Å²	137	116.6 Å²	116.6	83%	0.83	71%	0.708	S	S	*	*			trans	-61.1	125.2	166.9	178.5	0	0	0	0	107.5	A235	V233-A235 PolarHBondContact O-N 3.38Å
234	P	29.5	Very low	40.9	Very low	111 Å²	111	120.6 Å²	120.6	72%	0.721	73%	0.733	S	S	*	*			trans	-71.6	97.7	174.6	29	-32.4	0	0	0	108.8	I236	P234-I236 PolarHBondContact O-N 3.27Å
235	A	29	Very low	38.5	Very low	88 Å²	88	124.9 Å²	124.9	73%	0.727	75%	0.748	S	S	*	*			trans	-59	122	171.8	0	0	0	0	0	109.3	V233 S237	V233-A235 PolarHBondContact O-N 3.38Å; A235-S237 VanDerWaalsContact C-N 3.28Å; A235-S237 PolarHBondContact O-N 3.33Å
236	I	30.4	Very low	36	Very low	141 Å²	141	126.4 Å²	126.4	72%	0.723	75%	0.753	S	S	*	*			trans	-80.4	78.2	-175.9	-52.5	179.3	0	0	0	109.2	P234 H238	P234-I236 PolarHBondContact O-N 3.27Å; I236-H238 PolarHBondContact O-N 3.2Å
237	S	34.9	Very low	34	Very low	109 Å²	109	128.1 Å²	128.1	76%	0.762	77%	0.774	S	S	*	*			trans	-78.5	104.9	166.3	55.3	0	0	0	0	109.4	A235 G239	A235-S237 VanDerWaalsContact C-N 3.28Å; A235-S237 PolarHBondContact O-N 3.33Å; S237-G239 PolarHBondContact O-N 3.4Å
238	H	31.9	Very low	32.9	Very low	184 Å²	184	135.3 Å²	135.3	85%	0.852	79%	0.792	S	S	*	*			trans	-66.7	112.7	172.7	-71.1	-99.4	0	0	0	109.9	I236	I236-H238 PolarHBondContact O-N 3.2Å
239	G	32.1	Very low	32	Very low	73 Å²	73	130.9 Å²	130.9	75%	0.753	79%	0.785	S	S	*	*			trans	-161	97.9	-175.5	0	0	0	0	0	112.3	S237	S237-G239 PolarHBondContact O-N 3.4Å
240	S	34.2	Very low	32.2	Very low	111 Å²	111	129.1 Å²	129.1	78%	0.776	78%	0.782	S	S	*	*			trans	-30.6	134.8	-177.4	-51.2	0	0	0	0	118.7
241	T	31.2	Very low	31.9	Very low	125 Å²	125	130.7 Å²	130.7	77%	0.767	79%	0.788	S	S	*	*			trans	36.8	119.4	140.9	56.4	0	0	0	0	119.5
242	D	35.9	Very low	31.9	Very low	154 Å²	154	128.7 Å²	128.7	82%	0.824	78%	0.779	S	S	*	*				-160.4	173.5	99.6	-127.3	-31.4	0	0	0	116.2
243	V	37.4	Very low	31.9	Very low	113 Å²	113	133 Å²	133	69%	0.685	79%	0.788	S	S	*	*			trans	-72.2	148.4	-164.9	-74.6	0	0	0	0	118.5
244	N	32.1	Very low	31.9	Very low	155 Å²	155	133.6 Å²	133.6	83%	0.829	78%	0.784	S	S	*	*			trans	51.5	105.2	145.1	-71.3	-34.2	0	0	0	120.1
245	K	34.6	Very low	32.2	Very low	212 Å²	212	132.4 Å²	132.4	92%	0.922	78%	0.778	S	S	*	*			trans	-146.2	130.2	136.2	-136.8	162.6	-170.3	168	0	115
246	V	30.9	Very low	32.5	Very low	128 Å²	128	130.7 Å²	130.7	78%	0.776	76%	0.76	S	S	*	*			trans	-63.2	133.6	179.2	172.6	0	0	0	0	111.8
247	C	29.8	Very low	32.9	Very low	128 Å²	128	132.5 Å²	132.5	87%	0.865	77%	0.766	S	S	*	*			trans	-139	154.6	154.4	-93	0	0	0	0	110.7
248	K	31.6	Very low	33.4	Very low	197 Å²	197	129.3 Å²	129.3	86%	0.857	74%	0.742	S	S	*	*			trans	-96.8	143	-159.7	-62.3	171	-177.7	173.3	0	112.4
249	S	27.6	Very low	33.5	Very low	98 Å²	98	127.4 Å²	127.4	69%	0.685	74%	0.738	S	S	*	*			trans	-79.3	141.9	170.9	47.1	0	0	0	0	112.2
250	P	36.7	Very low	33.7	Very low	124 Å²	124	130.4 Å²	130.4	81%	0.805	74%	0.736	S	S	*	*			trans	-89.7	96.3	162.4	32.8	-28.7	0	0	0	109.8	A252	P250-A252 PolarHBondContact O-N 3.33Å; P250-A252 VanDerWaalsContact O-N 3.12Å
251	T	27.9	Very low	33.5	Very low	131 Å²	131	133 Å²	133	80%	0.804	74%	0.736	S	S	*	*			trans	-71.6	102.5	174	27.3	0	0	0	0	111.2
252	A	30.4	Very low	33.7	Very low	87 Å²	87	131.6 Å²	131.6	72%	0.719	73%	0.729	S	S	*	*			trans	-139.2	68.1	174.6	0	0	0	0	0	110.7	P250 M254	P250-A252 PolarHBondContact O-N 3.33Å; P250-A252 VanDerWaalsContact O-N 3.12Å; A252-M254 PolarHBondContact O-N 3.06Å
253	E	30.7	Very low	33.6	Very low	187 Å²	187	130 Å²	130	87%	0.874	73%	0.727	S	S	*	*			trans	-71.7	72.2	177.5	-66.2	-160.5	131.9	0	0	112.1	S255	E253-S255 PolarHBondContact O-N 3.11Å
254	M	31.3	Very low	33.4	Very low	149 Å²	149	135.9 Å²	135.9	73%	0.734	74%	0.737	S	S	*	*			trans	-73.2	81	170	-169.3	70.6	69.6	0	0	109.5	A252	A252-M254 PolarHBondContact O-N 3.06Å
255	S	35.7	Very low	33.5	Very low	86 Å²	86	139.9 Å²	139.9	60%	0.601	74%	0.741	S	S	*	*			trans	-54.5	146	168.8	-79.1	0	0	0	0	110.2	E253 E257	E253-S255 PolarHBondContact O-N 3.11Å; S255-E257 PolarHBondContact O-N 3.22Å
256	C	36.1	Very low	33.3	Very low	53 Å²	53	141.7 Å²	141.7	36%	0.358	74%	0.742	S	S	.	*			trans	-78.4	73.8	177.5	38.9	0	0	0	0	110.2	V258	C256-V258 PolarHBondContact O-N 3.38Å
257	E	37.4	Very low	33.6	Very low	178 Å²	178	141.4 Å²	141.4	83%	0.832	75%	0.746	S	S	*	*			trans	-65.6	80.3	172.9	-73.9	-173.1	104.3	0	0	110.9	S255 N259	S255-E257 PolarHBondContact O-N 3.22Å; E257-N259 PolarHBondContact O-N 3.19Å
258	V	45.7	Very low	33.9	Very low	43 Å²	43	140.3 Å²	140.3	26%	0.261	74%	0.739	S	S	.	*			trans	-60.9	120.1	157.8	178.8	0	0	0	0	106.8	I117 C256 N260	I117-V258 HydrophobicContact CD1-CG2 4.13Å; C256-V258 PolarHBondContact O-N 3.38Å; V258-N260 VanDerWaalsContact C-N 3.26Å; V258-N260 VanDerWaalsContact O-CG 3.3Å; V258-N260 PolarHBondContact O-N 3.03Å
259	N	35.2	Very low	34.2	Very low	144 Å²	144	139.5 Å²	139.5	77%	0.77	74%	0.739	S	S	*	*			trans	-70.1	80.3	-170.3	-161.4	-5.4	0	0	0	111.5	E257 Q261	E257-N259 PolarHBondContact O-N 3.19Å; N259-Q261 VanDerWaalsContact C-N 3.33Å; N259-Q261 PolarHBondContact O-N 3.01Å
260	N	35.7	Very low	34.6	Very low	135 Å²	135	142.6 Å²	142.6	72%	0.722	75%	0.747	S	S	*	*			trans	-82.7	68.2	-170.5	-76.1	-22.2	0	0	0	111.8	V258	V258-N260 VanDerWaalsContact C-N 3.26Å; V258-N260 VanDerWaalsContact O-CG 3.3Å; V258-N260 PolarHBondContact O-N 3.03Å
261	Q	30.2	Very low	34.4	Very low	166 Å²	166	147.2 Å²	147.2	78%	0.776	75%	0.748	S	S	*	*			trans	-102.4	111	163.1	-67.6	-160.2	14.6	0	0	110.7	N259	N259-Q261 VanDerWaalsContact C-N 3.33Å; N259-Q261 PolarHBondContact O-N 3.01Å
262	P	35.2	Very low	34.7	Very low	95 Å²	95	148 Å²	148	62%	0.617	75%	0.746	S	S	*	*			trans	-66.1	153.2	162.7	30.7	-34.1	0	0	0	109.2	R264	P262-R264 VanDerWaalsContact C-N 3.35Å; P262-R264 PolarHBondContact O-N 3.18Å
263	P	34	Very low	34.9	Very low	121 Å²	121	148.5 Å²	148.5	79%	0.786	75%	0.745	S	S	*	*			trans	-69.6	86.5	-176	28.6	-35.5	0	0	0	111.7	R265	P263-R265 PolarHBondContact O-N 2.84Å
264	R	31.8	Very low	35.2	Very low	236 Å²	236	147.1 Å²	147.1	89%	0.891	74%	0.738	S	S	*	*			trans	-65.2	113.7	169.3	-79.5	-167.5	172.1	-143.1	-0.5	109.1	P262 R266	P262-R264 VanDerWaalsContact C-N 3.35Å; P262-R264 PolarHBondContact O-N 3.18Å; R264-R266 PolarHBondContact O-N 2.89Å
265	R	34.4	Very low	35.5	Very low	239 Å²	239	151 Å²	151	90%	0.902	75%	0.745	S	S	*	*			trans	-54	133.6	169.6	-74.2	-177.5	170	-172.9	-4	109.7	P263 S267	P263-R265 PolarHBondContact O-N 2.84Å; R265-S267 PolarHBondContact O-N 2.69Å
266	R	31	Very low	35.5	Very low	251 Å²	251	152 Å²	152	95%	0.947	75%	0.749	S	S	*	*			trans	-72.4	120.7	166.7	-71.9	179.7	173.6	-177.8	-2.5	108.9	R264	R264-R266 PolarHBondContact O-N 2.89Å
267	S	37	Very low	35.2	Very low	122 Å²	122	155.1 Å²	155.1	85%	0.853	77%	0.77	S	S	*	*			trans	-133.7	121.9	151.1	-68.1	0	0	0	0	107	R265	R265-S267 PolarHBondContact O-N 2.69Å
268	S	37.2	Very low	35.1	Very low	105 Å²	105	152.4 Å²	152.4	73%	0.734	77%	0.766	S	S	*	*			trans	-99.9	125.5	-167.5	47.9	0	0	0	0	112.2
269	Q	36.9	Very low	34.7	Very low	180 Å²	180	154.9 Å²	154.9	84%	0.841	79%	0.785	S	S	*	*			trans	54.3	122.8	153.9	-51.9	-171.6	45.5	0	0	118.2
270	L	35.3	Very low	34.7	Very low	163 Å²	163	155.3 Å²	155.3	85%	0.853	79%	0.787	S	S	*	*				-164.9	163.3	99.6	-99.7	163.5	0	0	0	112.4
271	R	32.9	Very low	35.1	Very low	220 Å²	220	153.5 Å²	153.5	83%	0.83	78%	0.783	S	S	*	*			trans	-66	158	175	-64.6	167.2	176.6	-174.1	-2.9	110.1
272	L	34	Very low	35.5	Very low	147 Å²	147	152.2 Å²	152.2	77%	0.77	78%	0.782	S	S	*	*			cis	-148	-166.1	5.4	-141.4	56.7	0	0	0	105.9
273	S	35.3	Very low	35.5	Very low	98 Å²	98	158.5 Å²	158.5	69%	0.685	79%	0.793	S	S	*	*			cis	-154.7	-155.7	15.2	-151.9	0	0	0	0	116
274	Q	37.5	Very low	35.8	Very low	158 Å²	158	157 Å²	157	74%	0.738	79%	0.791	S	S	*	*			trans	-83.3	136.6	-162.3	-65	168.2	40.4	0	0	117.6
275	R	37.1	Very low	36	Very low	231 Å²	231	152.9 Å²	152.9	87%	0.872	79%	0.786	S	S	*	*			trans	81	153.3	130.4	-75.1	-168.5	171.3	-141	-3.3	120.9
276	P	35.6	Very low	36	Very low	106 Å²	106	150.1 Å²	150.1	69%	0.688	78%	0.784	S	S	*	*				-142.5	-177.3	-129.5	45.4	-27.3	0	0	0	118.2
277	C	28.8	Very low	36.1	Very low	120 Å²	120	141.6 Å²	141.6	81%	0.811	77%	0.774	S	S	*	*			trans	74.3	151.1	164.2	-54.6	0	0	0	0	115.7
278	T	35.8	Very low	35.9	Very low	121 Å²	121	141 Å²	141	74%	0.742	77%	0.77	S	S	*	*			cis	-138.5	169.1	6.2	51.5	0	0	0	0	112.9
279	S	37.3	Very low	35.7	Very low	94 Å²	94	142.9 Å²	142.9	66%	0.657	77%	0.772	S	S	*	*			trans	55.9	109.2	144.3	58.8	0	0	0	0	122.3
280	D	36.6	Very low	35.7	Very low	153 Å²	153	139.2 Å²	139.2	82%	0.818	77%	0.766	S	S	*	*				23.8	157.4	112.6	-76.5	-54.5	0	0	0	122.2
281	P	43.5	Very low	35.9	Very low	98 Å²	98	138.8 Å²	138.8	64%	0.636	76%	0.76	S	S	*	*			cis	-143	-172.3	-12.4	32.8	-9.5	0	0	0	116.5
282	N	39	Very low	36.1	Very low	139 Å²	139	134.3 Å²	134.3	74%	0.743	75%	0.752	S	S	*	*			trans	87.9	123	148.9	-76.9	-42.1	0	0	0	123.5
283	R	35	Very low	36.4	Very low	227 Å²	227	133.5 Å²	133.5	86%	0.857	75%	0.749	S	S	*	*			trans	62.1	121.3	135.7	-71.6	-176.1	167.4	-167.6	-5.1	122.4
284	A	39.9	Very low	36.5	Very low	90 Å²	90	135.1 Å²	135.1	74%	0.744	75%	0.749	S	S	*	*				64.8	153.4	129.6	0	0	0	0	0	118.9
285	D	36.2	Very low	36.5	Very low	148 Å²	148	136.2 Å²	136.2	79%	0.791	75%	0.751	S	S	*	*			cis	-148.8	-178.8	-9.6	-133.6	-34.3	0	0	0	111.2
286	E	33.1	Very low	36.4	Very low	182 Å²	182	129.6 Å²	129.6	85%	0.85	74%	0.741	S	S	*	*			trans	3.5	120.1	166.8	-53	-156.6	127.6	0	0	121.6
287	G	33.2	Very low	36.6	Very low	72 Å²	72	131.1 Å²	131.1	74%	0.742	74%	0.743	S	S	*	*				99.6	153.5	106.5	0	0	0	0	0	122
288	S	34.7	Very low	36.9	Very low	110 Å²	110	132.4 Å²	132.4	77%	0.769	74%	0.737	S	S	*	*			trans	99.9	116.2	151	-49.6	0	0	0	0	121.5
289	N	31	Very low	36.9	Very low	143 Å²	143	133.7 Å²	133.7	77%	0.765	73%	0.732	S	S	*	*			trans	74.9	141.1	134.9	-62.5	-14.9	0	0	0	123.8
290	S	37.1	Very low	36.5	Very low	104 Å²	104	134.9 Å²	134.9	73%	0.727	74%	0.736	S	S	*	*			trans	69.6	150.4	148.7	70.2	0	0	0	0	117.7
291	Q	40.4	Very low	36.3	Very low	154 Å²	154	133 Å²	133	72%	0.72	73%	0.73	S	S	*	*			cis	-161.6	160.9	-11.4	-123.8	175.5	-110.4	0	0	109.4
292	D	37.8	Very low	36	Very low	126 Å²	126	133.1 Å²	133.1	67%	0.674	73%	0.733	S	S	*	*			trans	60.1	159.1	153.6	-45.5	-24.2	0	0	0	118.3
293	D	38.8	Very low	35.6	Very low	129 Å²	129	135 Å²	135	69%	0.69	74%	0.737	S	S	*	*			cis	-156.7	172.8	-12	-138.9	-33.1	0	0	0	112.2
294	L	39.1	Very low	35.3	Very low	132 Å²	132	128 Å²	128	69%	0.691	72%	0.723	S	S	*	*			trans	58.7	114.7	155.5	-62.3	166.9	0	0	0	120.2
295	K	36.3	Very low	35.1	Very low	181 Å²	181	131.6 Å²	131.6	79%	0.787	72%	0.722	S	S	*	*				61.4	101.4	93	-78.1	-172.3	173.6	-179.4	0	115.8
296	S	36.1	Very low	35	Very low	93 Å²	93	133.2 Å²	133.2	65%	0.65	72%	0.717	S	S	*	*				92.9	167.3	73.4	71.9	0	0	0	0	112.5
297	D	38.9	Very low	34.9	Very low	137 Å²	137	131 Å²	131	73%	0.733	71%	0.706	S	S	*	*			cis	-153.3	-168.8	20.8	-110.3	-55.2	0	0	0	113.1
298	E	35.2	Very low	35	Very low	148 Å²	148	135.7 Å²	135.7	69%	0.692	71%	0.706	S	S	*	*			trans	11.8	154.5	155.3	-74	-163.5	127.1	0	0	123.4
299	K	35.1	Very low	34.9	Very low	148 Å²	148	135.7 Å²	135.7	64%	0.643	70%	0.698	S	S	*	*			cis	170.4	144.8	-7.8	169.6	174.7	164	-169.6	0	113.1
300	T	30.4	Very low	35.1	Very low	119 Å²	119	135 Å²	135	73%	0.73	69%	0.69	S	S	*	*			trans	60.2	170.2	161.8	57.1	0	0	0	0	118.7
301	T	30.6	Very low	35	Very low	112 Å²	112	137.7 Å²	137.7	69%	0.687	69%	0.691	S	S	*	*			cis	-156.7	158.8	5.5	-16	0	0	0	0	111.9
302	S	37.7	Very low	34.7	Very low	102 Å²	102	135.1 Å²	135.1	71%	0.713	69%	0.689	S	S	*	*			trans	64.2	161.5	144.7	72.3	0	0	0	0	120.3
303	E	31.1	Very low	34.4	Very low	178 Å²	178	134.6 Å²	134.6	83%	0.832	70%	0.696	S	S	*	*			cis	-168.3	166.9	-28.6	-105.7	-156.9	115.2	0	0	109.6
304	C	29.2	Very low	34.2	Very low	81 Å²	81	133.6 Å²	133.6	55%	0.547	70%	0.699	S	S	.	*			trans	120.8	115.1	144.9	-74.4	0	0	0	0	119.6
305	K	35.4	Very low	33.9	Very low	165 Å²	165	131.7 Å²	131.7	72%	0.717	70%	0.702	S	S	*	*				70.7	139.5	128.4	-64.9	166.4	-175	130.4	0	117.6
306	R	32.9	Very low	33.7	Very low	182 Å²	182	130.6 Å²	130.6	69%	0.687	70%	0.703	S	S	*	*			cis	-161.5	153.4	11.6	-125.9	179.2	176	135.3	0.1	112.2
307	E	32.2	Very low	33.5	Very low	135 Å²	135	132.6 Å²	132.6	63%	0.631	70%	0.703	S	S	*	*			trans	41.8	133.8	145	-64.3	146.8	-156.4	0	0	119.5
308	F	34.7	Very low	33.1	Very low	171 Å²	171	133.2 Å²	133.2	75%	0.75	70%	0.701	S	S	*	*			cis	-148.2	138.7	42.9	-116.2	-96.9	0	0	0	113.1
309	N	32.6	Very low	33.1	Very low	109 Å²	109	131.8 Å²	131.8	58%	0.583	70%	0.698	S	S	*	*			trans	40.1	138.1	143.9	-65.7	3.6	0	0	0	122.4
310	H	34.9	Very low	32.9	Very low	130 Å²	130	132.2 Å²	132.2	60%	0.602	70%	0.702	S	S	*	*			cis	-151.1	142.9	4.3	-98.3	-48.4	0	0	0	111.7
311	Q	35	Very low	33.1	Very low	160 Å²	160	133.5 Å²	133.5	75%	0.748	70%	0.703	S	S	*	*			trans	40.5	127.8	135.6	-65.8	156.2	-8.2	0	0	119.6
312	S	34.1	Very low	33.2	Very low	99 Å²	99	132.6 Å²	132.6	69%	0.692	70%	0.702	S	S	*	*			cis	-155.6	143.6	0.4	-73.1	0	0	0	0	107.3
313	S	32	Very low	32.9	Very low	116 Å²	116	134.4 Å²	134.4	81%	0.811	70%	0.703	S	S	*	*				50.8	132.1	73.4	-56.8	0	0	0	0	113
314	S	34.4	Very low	32.9	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	70%	0.703	S	S	*	*			cis	-157.5	136.1	14	33.7	0	0	0	0	108.9
315	A	32.2	Very low	33	Very low	92 Å²	92	136.7 Å²	136.7	76%	0.76	72%	0.715	S	S	*	*				83.8	176.1	72.3	0	0	0	0	0	113.7
316	I	33	Very low	32.8	Very low	158 Å²	158	140.6 Å²	140.6	81%	0.81	73%	0.725	S	S	*	*			trans	83.9	131.2	-176.2	-52.8	175.5	0	0	0	114.6
317	Q	31.2	Very low	32.7	Very low	136 Å²	136	137 Å²	137	64%	0.636	73%	0.728	S	S	*	*			cis	172.3	156.7	-35.8	154.7	177.1	-10.1	0	0	109.6
318	E	31.9	Very low	33.2	Very low	149 Å²	149	137 Å²	137	70%	0.696	74%	0.739	S	S	*	*			trans	63.2	151.3	171.2	-76.6	142.5	-166.5	0	0	116.4
319	D	33.7	Very low	33	Very low	119 Å²	119	132.3 Å²	132.3	64%	0.636	74%	0.739	S	S	*	*			cis	-144	168.3	6.2	-133.2	-19.2	0	0	0	114.8
320	Q	32.1	Very low	33	Very low	157 Å²	157	132.5 Å²	132.5	73%	0.734	75%	0.749	S	S	*	*			trans	-35.2	162.8	163	-62.9	164.7	82.9	0	0	116.2
321	I	33.4	Very low	32.9	Very low	146 Å²	146	131.7 Å²	131.7	75%	0.749	75%	0.754	S	S	*	*			cis	-145.4	-173.9	8.4	7.7	172.6	0	0	0	107.8
322	S	33.8	Very low	32.7	Very low	93 Å²	93	130.4 Å²	130.4	65%	0.65	76%	0.757	S	S	*	*			cis	-153.6	159.9	20.6	-19.3	0	0	0	0	109.6
323	N	30.3	Very low	32.6	Very low	139 Å²	139	132 Å²	132	74%	0.743	76%	0.763	S	S	*	*				46.7	127.2	85.8	-53	0.6	0	0	0	114.8
324	E	32.5	Very low	32.5	Very low	178 Å²	178	130.1 Å²	130.1	83%	0.832	76%	0.761	S	S	*	*			cis	-139.2	153.2	-0.4	-59.5	-172	115.5	0	0	108.4
325	T	30.2	Very low	32.1	Very low	129 Å²	129	131.1 Å²	131.1	79%	0.791	77%	0.767	S	S	*	*			cis	79.7	86.6	35.1	-48.7	0	0	0	0	115.8
326	R	31.1	Very low	32.3	Very low	247 Å²	247	132.3 Å²	132.3	93%	0.932	77%	0.766	S	S	*	*			trans	-156.1	144.5	131.3	-156	159.7	-177.7	152.3	0.2	112.3
327	S	32.2	Very low	32.3	Very low	107 Å²	107	131.5 Å²	131.5	75%	0.748	76%	0.764	S	S	*	*			trans	-127.7	-155.5	-175.3	-50.5	0	0	0	0	110.8
328	P	41.1	Very low	32.3	Very low	135 Å²	135	131.1 Å²	131.1	88%	0.877	77%	0.77	S	S	*	*				-128.5	-177	-120.8	37.4	-15.4	0	0	0	116.3
329	G	31.2	Very low	32.3	Very low	72 Å²	72	133.6 Å²	133.6	74%	0.742	78%	0.779	S	S	*	*			trans	158.2	160	174.1	0	0	0	0	0	108.7
330	S	33.3	Very low	32	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	79%	0.791	S	S	*	*			cis	-174.3	156.4	-2.8	45.8	0	0	0	0	105.5
331	T	31.2	Very low	32	Very low	114 Å²	114	138.4 Å²	138.4	70%	0.699	79%	0.79	S	S	*	*			cis	172.2	128.4	-1.8	-84.9	0	0	0	0	105.4
332	T	31.4	Very low	31.9	Very low	132 Å²	132	138.5 Å²	138.5	81%	0.81	79%	0.785	S	S	*	*			trans	63.3	170.8	168.2	63.7	0	0	0	0	117.9
333	T	33.1	Very low	31.8	Very low	134 Å²	134	142 Å²	142	82%	0.822	79%	0.794	S	S	*	*			cis	-144.4	158.6	10	47.4	0	0	0	0	112.9
334	G	30	Very low	31.7	Very low	75 Å²	75	140.5 Å²	140.5	77%	0.773	79%	0.786	S	S	*	*			trans	112.9	127.5	139.9	0	0	0	0	0	119.9
335	C	25.3	Very low	31.8	Very low	129 Å²	129	138.4 Å²	138.4	87%	0.872	79%	0.785	S	S	*	*			trans	-118.7	-177.8	165.4	-61.9	0	0	0	0	108.1
336	P	37	Very low	31.8	Very low	116 Å²	116	139.6 Å²	139.6	75%	0.753	79%	0.786	S	S	*	*			cis	-142.1	-150.1	7.3	44.8	-23.7	0	0	0	114.7
337	N	32.4	Very low	31.7	Very low	142 Å²	142	135.1 Å²	135.1	76%	0.759	78%	0.78	S	S	*	*			trans	87.8	95.8	160.9	-87	-30.4	0	0	0	121.6
338	V	30.3	Very low	31.9	Very low	127 Å²	127	135.7 Å²	135.7	77%	0.77	78%	0.784	S	S	*	*				18.9	113.5	128.4	-170.7	0	0	0	0	117.9
339	K	33.4	Very low	31.5	Very low	202 Å²	202	137 Å²	137	88%	0.878	78%	0.776	S	S	*	*			trans	-132.3	124.9	142.2	-76.9	-167.7	177	178.1	0	111.5	I341	K339-I341 PolarHBondContact O-N 2.82Å
340	R	26.9	Very low	31.7	Very low	236 Å²	236	140.3 Å²	140.3	89%	0.891	78%	0.776	S	S	*	*			trans	-78.2	104.5	174	175	-170.2	-71.8	152	-6.2	108.3	K342	R340-K342 PolarHBondContact O-N 3.35Å; R340-K342 VanDerWaalsContact O-N 3.12Å
341	I	32.5	Very low	31.7	Very low	140 Å²	140	144.8 Å²	144.8	72%	0.718	78%	0.776	S	S	*	*			trans	-76.2	101.1	175.4	-58.8	179.3	0	0	0	108.9	K339 M343	K339-I341 PolarHBondContact O-N 2.82Å; I341-M343 HydrophobicContact CG2-CE 4.46Å; I341-M343 HydrophobicContact CG2-CG 4.15Å
342	K	30.4	Very low	31.9	Very low	148 Å²	148	147.3 Å²	147.3	64%	0.643	78%	0.784	S	S	*	*			trans	-80.4	120.4	162.2	-177.3	175.7	-178.8	-109.5	0	107.2	R340 D344	R340-K342 PolarHBondContact O-N 3.35Å; R340-K342 VanDerWaalsContact O-N 3.12Å; K342-D344 WeakPolarHBondContact CD-OD2 3.03Å; K342-D344 VanDerWaalsContact CE-OD1 3.29Å; K342-D344 WeakPolarHBondContact CE-OD1 3.29Å; K342-D344 IonicContact NZ-OD1 2.65Å; K342-D344 PolarHBondContact NZ-OD1 2.65Å; K342-D344 IonicContact NZ-OD2 2.74Å; K342-D344 PolarHBondContact NZ-OD2 2.77Å; K342-D344 PolarHBondContact O-N 3.41Å
343	M	32.6	Very low	31.9	Very low	168 Å²	168	144.6 Å²	144.6	83%	0.828	78%	0.781	S	S	*	*			trans	-89.5	84.7	174	-70.2	-177.2	177.5	0	0	109.1	I341	I341-M343 HydrophobicContact CG2-CE 4.46Å; I341-M343 HydrophobicContact CG2-CG 4.15Å
344	D	27.3	Very low	31.7	Very low	106 Å²	106	147.3 Å²	147.3	57%	0.567	79%	0.785	S	S	*	*			trans	-76.6	122.2	163.1	-68.9	-50.9	0	0	0	108.6	K342	K342-D344 WeakPolarHBondContact CD-OD2 3.03Å; K342-D344 VanDerWaalsContact CE-OD1 3.29Å; K342-D344 WeakPolarHBondContact CE-OD1 3.29Å; K342-D344 IonicContact NZ-OD1 2.65Å; K342-D344 PolarHBondContact NZ-OD1 2.65Å; K342-D344 IonicContact NZ-OD2 2.74Å; K342-D344 PolarHBondContact NZ-OD2 2.77Å; K342-D344 PolarHBondContact O-N 3.41Å
345	V	35	Very low	31.9	Very low	135 Å²	135	148.8 Å²	148.8	82%	0.818	79%	0.79	S	S	*	*			trans	-124.7	102.2	174.6	-178.3	0	0	0	0	107.7
346	N	30.8	Very low	32	Very low	154 Å²	154	150.7 Å²	150.7	82%	0.824	79%	0.789	S	S	*	*			trans	-74.8	145.5	175.8	-78.8	-48.7	0	0	0	111
347	L	28.7	Very low	31.9	Very low	152 Å²	152	148 Å²	148	80%	0.796	78%	0.783	S	S	*	*			trans	-80.1	147.7	176	-165.3	69.2	0	0	0	110.5
348	S	36.1	Very low	32.2	Very low	119 Å²	119	148.3 Å²	148.3	83%	0.832	79%	0.791	S	S	*	*			trans	-144.5	139.4	165.6	-68	0	0	0	0	108.1
349	K	32.8	Very low	32.2	Very low	164 Å²	164	152 Å²	152	71%	0.713	80%	0.799	S	S	*	*			trans	-148.8	106.3	-156.2	-178.3	-178.8	-179.3	179	0	112.1
350	D	35.3	Very low	32.1	Very low	140 Å²	140	146 Å²	146	75%	0.749	80%	0.795	S	S	*	*			trans	-164	150.9	172.4	-93.3	-42.2	0	0	0	107.6
351	R	34.1	Very low	32.5	Very low	208 Å²	208	141.3 Å²	141.3	79%	0.785	79%	0.792	S	S	*	*			cis	-169.6	163.9	-21.1	-135.6	-178.8	-147	-117.5	1.8	109.2
352	I	33.5	Very low	32.6	Very low	167 Å²	167	141.8 Å²	141.8	86%	0.856	80%	0.795	S	S	*	*			trans	73.8	137.4	160.8	-56.3	148.6	0	0	0	117.3
353	G	32.8	Very low	32.6	Very low	74 Å²	74	139.2 Å²	139.2	76%	0.763	80%	0.796	S	S	*	*			trans	138.4	76.8	157.3	0	0	0	0	0	116.7
354	E	28.1	Very low	32.6	Very low	191 Å²	191	138.5 Å²	138.5	89%	0.893	80%	0.796	S	S	*	*			trans	-97.4	143.9	172.8	-73.8	170.2	95.3	0	0	112.8
355	A	33.7	Very low	32.9	Very low	106 Å²	106	141.9 Å²	141.9	88%	0.876	81%	0.813	S	S	*	*			trans	-153.4	147.1	158.6	0	0	0	0	0	109.5
356	I	29.4	Very low	32.6	Very low	169 Å²	169	143.1 Å²	143.1	87%	0.867	81%	0.813	S	S	*	*			trans	-123.9	142.3	-167.3	-58.5	165.1	0	0	0	109.3
357	G	34.7	Very low	32.6	Very low	61 Å²	61	143.3 Å²	143.3	63%	0.629	81%	0.814	S	S	*	*			trans	-172.4	72.7	-177.8	0	0	0	0	0	119.4
358	T	37.3	Very low	32.6	Very low	148 Å²	148	142.6 Å²	142.6	91%	0.908	81%	0.809	S	S	*	*			trans	63.7	157.7	146.8	53.2	0	0	0	0	121.4
359	E	30.1	Very low	32.2	Very low	204 Å²	204	140.8 Å²	140.8	95%	0.953	80%	0.796	S	S	*	*			trans	-104.7	163.7	-172.5	-55.6	-171.7	145.7	0	0	114.2
360	G	33.1	Very low	32	Very low	77 Å²	77	141.5 Å²	141.5	79%	0.794	81%	0.807	S	S	*	*			trans	-162.4	146.7	170.5	0	0	0	0	0	111
361	V	35.3	Very low	31.9	Very low	137 Å²	137	141.2 Å²	141.2	83%	0.83	81%	0.806	S	S	*	*			trans	-118.9	157.8	-158.2	-136.6	0	0	0	0	114.8
362	L	33.6	Very low	31.7	Very low	149 Å²	149	135.1 Å²	135.1	78%	0.78	79%	0.794	S	S	*	*			trans	77.5	94.2	157.3	-67	168.5	0	0	0	120.7
363	S	31.1	Very low	31.7	Very low	94 Å²	94	135.8 Å²	135.8	66%	0.657	79%	0.793	S	S	*	*				67	139.2	111	-57.9	0	0	0	0	123.8
364	N	32.1	Very low	31.6	Very low	153 Å²	153	138.9 Å²	138.9	82%	0.818	79%	0.792	S	S	*	*			trans	75.6	88.1	151.9	-60.4	-14.9	0	0	0	119.6
365	L	32.9	Very low	31.5	Very low	178 Å²	178	136.2 Å²	136.2	93%	0.932	79%	0.793	S	S	*	*			trans	-140.9	156.8	138.4	-137.9	97.9	0	0	0	111.5
366	I	30.2	Very low	31.4	Very low	160 Å²	160	137.1 Å²	137.1	82%	0.821	79%	0.788	S	S	*	*			trans	-91.1	131.2	-174	-61.7	160.6	0	0	0	110.1
367	L	29.8	Very low	31.3	Very low	159 Å²	159	133.7 Å²	133.7	83%	0.832	78%	0.784	S	S	*	*			trans	-171	173.9	142.6	-109.3	165.5	0	0	0	114.2
368	I	28.2	Very low	31.2	Very low	136 Å²	136	136.6 Å²	136.6	70%	0.697	80%	0.795	S	S	*	*			trans	-93.2	100.6	-169.4	-58.7	158.2	0	0	0	111
369	S	27.7	Very low	30.9	Very low	81 Å²	81	133.6 Å²	133.6	57%	0.566	78%	0.78	S	S	*	*			trans	177.8	130	146.6	-80.7	0	0	0	0	111.3
370	L	29.6	Very low	30.8	Very low	179 Å²	179	129.2 Å²	129.2	94%	0.937	77%	0.772	S	S	*	*			trans	-135.5	82.4	165	-90.9	165.8	0	0	0	108.9
371	D	32.5	Very low	30.8	Very low	135 Å²	135	131.6 Å²	131.6	72%	0.722	78%	0.776	S	S	*	*			trans	-73.3	170.3	161.1	-96.7	-46.2	0	0	0	110.6	H373	D371-H373 PolarHBondContact O-N 2.98Å
372	C	29.2	Very low	30.5	Very low	79 Å²	79	130.4 Å²	130.4	53%	0.534	77%	0.774	S	S	.	*			trans	-68	115.4	-164.6	-53.1	0	0	0	0	114.7
373	H	35.1	Very low	30.4	Very low	181 Å²	181	128.7 Å²	128.7	84%	0.838	78%	0.775	S	S	*	*			trans	-154.5	93.3	157.6	-97.5	-73.6	0	0	0	113.5	D371	D371-H373 PolarHBondContact O-N 2.98Å
374	N	29.2	Very low	30.3	Very low	139 Å²	139	130 Å²	130	74%	0.743	78%	0.784	S	S	*	*				174.4	103.6	127.9	-96.8	-11.1	0	0	0	111.4
375	C	27	Very low	30.2	Very low	135 Å²	135	127.6 Å²	127.6	91%	0.912	79%	0.785	S	S	*	*			trans	-134.5	70.3	164.5	-64.1	0	0	0	0	107.7	A377	C375-A377 PolarHBondContact O-N 2.98Å
376	T	31	Very low	29.9	Very low	126 Å²	126	125.3 Å²	125.3	77%	0.773	78%	0.779	S	S	*	*			trans	-68	119.6	-178	-37.6	0	0	0	0	109.6
377	A	28.1	Very low	29.7	Very low	96 Å²	96	123.3 Å²	123.3	79%	0.793	78%	0.775	S	S	*	*			trans	-78.9	128.7	-178.4	0	0	0	0	0	111.6	C375	C375-A377 PolarHBondContact O-N 2.98Å
378	S	31.9	Very low	29.6	Very low	122 Å²	122	122 Å²	122	85%	0.853	77%	0.769	S	S	*	*			trans	-113.5	126.9	158	50.9	0	0	0	0	108.4
379	S	31	Very low	29.8	Very low	86 Å²	86	123.7 Å²	123.7	60%	0.601	78%	0.779	S	S	*	*			trans	-116	130.4	-158	62.6	0	0	0	0	114.1
380	S	29.3	Very low	30.1	Very low	112 Å²	112	128 Å²	128	78%	0.783	79%	0.79	S	S	*	*			trans	46.4	117.8	140.2	65.2	0	0	0	0	120.2
381	S	32.4	Very low	30.3	Very low	126 Å²	126	125 Å²	125	88%	0.881	78%	0.783	S	S	*	*				-152.8	134.6	128.9	57.2	0	0	0	0	110.5
382	S	29	Very low	30.2	Very low	112 Å²	112	122.7 Å²	122.7	78%	0.783	78%	0.783	S	S	*	*			trans	-138.7	113.3	-177.5	57.8	0	0	0	0	111.5
383	S	31.8	Very low	30.3	Very low	114 Å²	114	125.3 Å²	125.3	80%	0.797	80%	0.796	S	S	*	*			trans	-161.2	123.6	166.1	43.6	0	0	0	0	107.2
384	S	28.2	Very low	30	Very low	121 Å²	121	122.3 Å²	122.3	85%	0.846	79%	0.791	S	S	*	*			cis	79.7	66.5	31	-45.3	0	0	0	0	114.4
385	A	29.5	Very low	30.2	Very low	102 Å²	102	121.1 Å²	121.1	84%	0.843	79%	0.794	S	S	*	*			trans	-152.4	137.3	156.2	0	0	0	0	0	111.5
386	T	26.7	Very low	30.2	Very low	131 Å²	131	119.8 Å²	119.8	80%	0.804	78%	0.781	S	S	*	*			trans	-73	158	166.7	49.4	0	0	0	0	110.2
387	T	26.9	Very low	30.1	Very low	118 Å²	118	121 Å²	121	72%	0.724	78%	0.781	S	S	*	*				-165.1	155.9	51	46	0	0	0	0	113.6
388	N	27.8	Very low	30	Very low	132 Å²	132	122.8 Å²	122.8	71%	0.706	78%	0.783	S	S	*	*			trans	17.6	136.2	148.1	-56.3	1.4	0	0	0	121.9
389	N	32.7	Very low	29.9	Very low	171 Å²	171	122.4 Å²	122.4	91%	0.914	78%	0.78	S	S	*	*				-160.6	156.2	110.6	-100.1	-32.9	0	0	0	113.4
390	H	33.1	Very low	30	Very low	172 Å²	172	124.2 Å²	124.2	80%	0.796	79%	0.793	S	S	*	*			trans	-119.4	156.9	-172.3	-82.8	-95.1	0	0	0	113.8
391	S	33.5	Very low	30	Very low	115 Å²	115	128.1 Å²	128.1	80%	0.804	80%	0.799	S	S	*	*			trans	-162.4	125.7	142.4	-75.2	0	0	0	0	107.2
392	A	30.4	Very low	29.9	Very low	86 Å²	86	128.2 Å²	128.2	71%	0.711	80%	0.799	S	S	*	*				69.2	134.9	59.5	0	0	0	0	0	111.8
393	V	32.7	Very low	29.8	Very low	134 Å²	134	128.2 Å²	128.2	81%	0.812	80%	0.799	S	S	*	*			cis	-143.7	149.2	23.1	167.2	0	0	0	0	108.6
394	T	29	Very low	29.8	Very low	119 Å²	119	129.7 Å²	129.7	73%	0.73	80%	0.803	S	S	*	*			cis	105.1	89.5	11.9	-55	0	0	0	0	116.3
395	S	32.6	Very low	29.9	Very low	114 Å²	114	130.2 Å²	130.2	80%	0.797	80%	0.801	S	S	*	*			trans	-174.2	177.9	164.7	-90.2	0	0	0	0	113.9
396	T	27.3	Very low	29.8	Very low	107 Å²	107	131.5 Å²	131.5	66%	0.656	79%	0.794	S	S	*	*			cis	-175.8	110	-41.1	-74.3	0	0	0	0	111.4
397	I	27.7	Very low	30.1	Very low	150 Å²	150	131.1 Å²	131.1	77%	0.769	80%	0.797	S	S	*	*			trans	58.9	134.3	148.5	-53.1	172.4	0	0	0	117.9
398	T	27.5	Very low	30.2	Very low	135 Å²	135	131 Å²	131	83%	0.828	80%	0.796	S	S	*	*				-173.5	161.7	75.6	-37.2	0	0	0	0	112
399	S	28.9	Very low	30.4	Very low	114 Å²	114	132.6 Å²	132.6	80%	0.797	80%	0.803	S	S	*	*			trans	-105.2	161.7	-178	39.6	0	0	0	0	115.2
400	S	33.4	Very low	30.3	Very low	124 Å²	124	129.5 Å²	129.5	87%	0.867	79%	0.792	S	S	*	*			trans	-157.6	164.7	153.3	54.3	0	0	0	0	111.2
401	Q	28.2	Very low	30	Very low	194 Å²	194	127.6 Å²	127.6	91%	0.907	79%	0.792	S	S	*	*			trans	-121.5	151.8	-169.7	-61.2	167.9	-9.7	0	0	111.4
402	S	30.4	Very low	29.8	Very low	128 Å²	128	128 Å²	128	90%	0.895	79%	0.79	S	S	*	*			trans	-152.6	153.8	148.4	62.5	0	0	0	0	110.5
403	S	27.8	Very low	29.7	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	80%	0.796	S	S	*	*			trans	-141.4	141.3	-171	57.2	0	0	0	0	110.7
404	V	32.1	Very low	29.6	Very low	145 Å²	145	133.3 Å²	133.3	88%	0.879	80%	0.801	S	S	*	*			trans	-141.4	125.8	162	-122.6	0	0	0	0	112.3
405	T	30.2	Very low	29.6	Very low	132 Å²	132	134.7 Å²	134.7	81%	0.81	80%	0.799	S	S	*	*			trans	-62.1	169.1	162	44.3	0	0	0	0	112.3
406	D	28	Very low	29.6	Very low	130 Å²	130	135.1 Å²	135.1	70%	0.695	79%	0.792	S	S	*	*			cis	-175.8	149.3	-15.4	166.4	33.2	0	0	0	106
407	S	32.4	Very low	29.7	Very low	122 Å²	122	137.8 Å²	137.8	85%	0.853	80%	0.802	S	S	*	*			trans	-170.2	124.4	157.3	-84.7	0	0	0	0	111
408	T	28.8	Very low	29.8	Very low	115 Å²	115	135.2 Å²	135.2	71%	0.706	80%	0.795	S	S	*	*			trans	-99.3	139.7	-176.9	-70.5	0	0	0	0	112.3
409	I	30.9	Very low	30.1	Very low	166 Å²	166	136.4 Å²	136.4	85%	0.851	80%	0.795	S	S	*	*			trans	-157	131.6	143.1	-96.5	143.7	0	0	0	108.3
410	P	31.5	Very low	30.2	Very low	106 Å²	106	138.2 Å²	138.2	69%	0.688	79%	0.794	S	S	*	*			trans	-100.3	161.4	177.3	38.1	-34.1	0	0	0	112.7
411	V	26.6	Very low	30.4	Very low	133 Å²	133	139.3 Å²	139.3	81%	0.806	79%	0.79	S	S	*	*			trans	-165.4	133.8	142.1	128.3	0	0	0	0	113
412	T	30	Very low	30.8	Very low	124 Å²	124	135.8 Å²	135.8	76%	0.761	78%	0.784	S	S	*	*			trans	29.9	114.7	164.9	62.3	0	0	0	0	121.4
413	T	27.4	Very low	31	Very low	137 Å²	137	138.5 Å²	138.5	84%	0.84	77%	0.774	S	S	*	*			trans	-69.9	149.8	141.2	44.5	0	0	0	0	110.9
414	Q	32.1	Very low	31.6	Very low	193 Å²	193	143.8 Å²	143.8	90%	0.902	78%	0.777	S	S	*	*			trans	-142.5	121.1	155	-168.1	169.9	11.4	0	0	110.3
415	E	28	Very low	31.7	Very low	148 Å²	148	143 Å²	143	69%	0.692	78%	0.775	S	S	*	*			trans	-97.1	173.5	175.5	-58.2	-176.2	162	0	0	111.7
416	N	31.7	Very low	31.8	Very low	124 Å²	124	144 Å²	144	66%	0.663	78%	0.775	S	S	*	*			trans	65.7	124.3	152.1	-57	-49.3	0	0	0	118.8
417	L	30.5	Very low	32	Very low	162 Å²	162	143.4 Å²	143.4	85%	0.848	78%	0.781	S	S	*	*				-164.5	136.1	104.6	-127.6	66.5	0	0	0	111.8
418	P	29.7	Very low	32.1	Very low	96 Å²	96	145.5 Å²	145.5	62%	0.623	78%	0.782	S	S	*	*			trans	-79.1	144.8	171.4	32	-34.3	0	0	0	112	I420	P418-I420 PolarHBondContact O-N 3.09Å; P418-I420 VanDerWaalsContact O-N 3.07Å
419	L	32.7	Very low	32.4	Very low	160 Å²	160	151 Å²	151	84%	0.838	79%	0.789	S	S	*	*			trans	-70.1	100.4	177.4	-75	166.5	0	0	0	111.9
420	I	31.2	Very low	32.4	Very low	152 Å²	152	146.5 Å²	146.5	78%	0.779	78%	0.784	S	S	*	*			trans	-91.3	101	172.5	-59.1	175.5	0	0	0	109.2	P418	P418-I420 PolarHBondContact O-N 3.09Å; P418-I420 VanDerWaalsContact O-N 3.07Å
421	L	37.9	Very low	32.6	Very low	147 Å²	147	149 Å²	149	77%	0.77	79%	0.791	S	S	*	*			trans	-109	124.5	170.5	-141.2	75.9	0	0	0	110.2	R423	L421-R423 PolarHBondContact O-N 2.84Å
422	P	36.2	Very low	32.6	Very low	120 Å²	120	146.8 Å²	146.8	78%	0.779	80%	0.795	S	S	*	*			trans	-77	79.4	-166.9	30	-36.3	0	0	0	113.8	R424	P422-R424 VanDerWaalsContact C-N 3.34Å; P422-R424 PolarHBondContact O-N 2.91Å
423	R	34.6	Very low	32.8	Very low	185 Å²	185	148.1 Å²	148.1	70%	0.698	80%	0.796	S	S	*	*			trans	-71	77.6	174.3	-83.9	-175.9	152	172.7	-5.6	113.2	L421 E515	L421-R423 PolarHBondContact O-N 2.84Å; R423-E515 IonicContact CZ-OE2 3.55Å; R423-E515 IonicContact NH2-OE1 2.69Å; R423-E515 PolarHBondContact NH2-OE1 3.22Å; R423-E515 IonicContact NH2-OE2 2.98Å; R423-E515 PolarHBondContact NH2-OE2 3.43Å
424	R	41	Very low	33	Very low	222 Å²	222	147.1 Å²	147.1	84%	0.838	80%	0.795	S	S	*	*			trans	166.6	138.4	142.8	-92	152.8	-166.9	166	7.9	112.3	P422	P422-R424 VanDerWaalsContact C-N 3.34Å; P422-R424 PolarHBondContact O-N 2.91Å
425	P	34.8	Very low	32.7	Very low	128 Å²	128	144 Å²	144	83%	0.831	79%	0.793	S	S	*	*			trans	-67	135.6	156.8	29.9	-33	0	0	0	110.1	S427	P425-S427 PolarHBondContact O-N 3.07Å
426	L	32.8	Very low	32.9	Very low	154 Å²	154	143.6 Å²	143.6	81%	0.806	80%	0.796	S	S	*	*			trans	-70.1	124	-177.3	-67.6	171.8	0	0	0	111.3	L428	L426-L428 VanDerWaalsContact C-N 3.3Å; L426-L428 HydrophobicContact CB-CD1 4.42Å; L426-L428 PolarHBondContact O-N 3.14Å
427	S	32.1	Very low	33	Very low	118 Å²	118	141.5 Å²	141.5	83%	0.825	79%	0.791	S	S	*	*			trans	-81.1	77.6	175.2	-157	0	0	0	0	110.5	P425 R429	P425-S427 PolarHBondContact O-N 3.07Å; S427-R429 VanDerWaalsContact C-N 3.29Å; S427-R429 PolarHBondContact O-N 3.26Å
428	L	34.3	Very low	33.1	Very low	166 Å²	166	142.4 Å²	142.4	87%	0.869	79%	0.788	S	S	*	*			trans	-73.9	78.9	-179.2	-130.7	77.6	0	0	0	111.1	L426	L426-L428 VanDerWaalsContact C-N 3.3Å; L426-L428 HydrophobicContact CB-CD1 4.42Å; L426-L428 PolarHBondContact O-N 3.14Å
429	R	34	Very low	33.2	Very low	229 Å²	229	146 Å²	146	86%	0.864	80%	0.802	S	S	*	*			trans	-137.8	65.2	177.9	-143.3	173.9	-165.3	170.8	4.7	111	S427	S427-R429 VanDerWaalsContact C-N 3.29Å; S427-R429 PolarHBondContact O-N 3.26Å
430	G	32.2	Very low	33.1	Very low	73 Å²	73	144 Å²	144	75%	0.753	80%	0.801	S	S	*	*	S	Bend	trans	-161.6	3.4	-173.1	0	0	0	0	0	117.6
431	L	34.9	Very low	33.2	Very low	158 Å²	158	141.8 Å²	141.8	83%	0.827	80%	0.799	S	S	*	*			trans	-134	111.4	172.9	-73.3	175.1	0	0	0	109.7
432	G	27.2	Very low	33	Very low	87 Å²	87	141.6 Å²	141.6	90%	0.897	80%	0.804	S	S	*	*			trans	-93	104.5	170.4	0	0	0	0	0	109.9
433	I	33.9	Very low	32.8	Very low	151 Å²	151	144 Å²	144	77%	0.774	81%	0.809	S	S	*	*			trans	-129.3	120.9	170.8	-58.1	-178.9	0	0	0	107.2
434	S	31.3	Very low	32.7	Very low	117 Å²	117	142.6 Å²	142.6	82%	0.818	82%	0.815	S	S	*	*			trans	-72.1	134.6	-178.6	-172.1	0	0	0	0	110.9	N436	S434-N436 PolarHBondContact O-N 3.45Å
435	C	26.2	Very low	32.3	Very low	126 Å²	126	140.1 Å²	140.1	85%	0.851	82%	0.819	S	S	*	*			trans	-82	106.7	178.1	48.1	0	0	0	0	111.7
436	N	31.3	Very low	32.3	Very low	141 Å²	141	141.3 Å²	141.3	75%	0.754	82%	0.823	S	S	*	*			trans	-150.3	130	156.5	-159.3	-12.7	0	0	0	112.3	S434	S434-N436 PolarHBondContact O-N 3.45Å
437	S	33.8	Very low	32.3	Very low	80 Å²	80	139 Å²	139	56%	0.559	83%	0.826	S	S	*	*			trans	46.5	115.2	158	-69.6	0	0	0	0	120.7
438	K	32.7	Very low	32.3	Very low	181 Å²	181	136.9 Å²	136.9	79%	0.787	82%	0.823	S	S	*	*			trans	63.7	85.2	132.3	-53.4	165.4	-167.4	172.2	0	116.9
439	N	32.4	Very low	32.1	Very low	172 Å²	172	138.1 Å²	138.1	92%	0.92	83%	0.827	S	S	*	*				-168.8	156.3	111.5	-92.4	-22.9	0	0	0	112.1
440	S	30.8	Very low	32.1	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	83%	0.827	S	S	*	*			trans	-88.2	176.7	-177.8	-173.5	0	0	0	0	112.5
441	S	33.2	Very low	32.2	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	83%	0.83	S	S	*	*			trans	101.3	35.9	154.5	91.2	0	0	0	0	121.7
442	V	33.6	Very low	32.2	Very low	143 Å²	143	140.8 Å²	140.8	87%	0.867	83%	0.831	S	S	*	*	S	Bend	trans	-139.3	70	160.2	-166	0	0	0	0	112.5
443	L	31.7	Very low	32.5	Very low	170 Å²	170	141.7 Å²	141.7	89%	0.89	82%	0.824	S	S	*	*			trans	-164	36.9	163.5	-117.3	170.2	0	0	0	115.3
444	N	32.1	Very low	32.5	Very low	155 Å²	155	140.2 Å²	140.2	83%	0.829	82%	0.824	S	S	*	*			trans	-123	105.7	168	-83.5	-13.4	0	0	0	108.4
445	N	33.8	Very low	32.7	Very low	170 Å²	170	140.4 Å²	140.4	91%	0.909	83%	0.826	S	S	*	*			trans	-175.8	33.4	164.7	-102.2	-12.9	0	0	0	115.6
446	V	34.5	Very low	33	Very low	154 Å²	154	138.9 Å²	138.9	93%	0.933	82%	0.822	S	S	*	*	S	Bend	trans	-140.6	62.9	164.8	-166.1	0	0	0	0	110.8
447	A	32.6	Very low	33.2	Very low	104 Å²	104	137.3 Å²	137.3	86%	0.86	82%	0.819	S	S	*	*	S	Bend	trans	-160.6	139.7	166.7	0	0	0	0	0	109.6
448	G	32	Very low	33.2	Very low	74 Å²	74	139.4 Å²	139.4	76%	0.763	83%	0.829	S	S	*	*			trans	90	55.1	165.5	0	0	0	0	0	117.8	Y450	G448-Y450 VanDerWaalsContact C-N 3.3Å; G448-Y450 PolarHBondContact O-N 2.73Å
449	M	30.4	Very low	33.4	Very low	192 Å²	192	138.5 Å²	138.5	95%	0.946	83%	0.833	S	S	*	*			trans	-86.4	70.6	152.7	-81.5	-163.9	71	0	0	110.5
450	Y	33.2	Very low	33.4	Very low	222 Å²	222	139.3 Å²	139.3	87%	0.871	83%	0.828	S	S	*	*			trans	-168.9	103.4	157.8	-128.2	-83.4	0	0	0	111	G448	G448-Y450 VanDerWaalsContact C-N 3.3Å; G448-Y450 PolarHBondContact O-N 2.73Å
451	V	34.8	Very low	33.6	Very low	135 Å²	135	140.3 Å²	140.3	82%	0.818	83%	0.829	S	S	*	*			trans	-164.3	120.7	153.2	-102	0	0	0	0	108.7
452	D	35.1	Very low	33.5	Very low	160 Å²	160	140.7 Å²	140.7	86%	0.856	83%	0.829	S	S	*	*			trans	-146.9	149	142.8	-115.2	-35.2	0	0	0	107.6
453	S	33.2	Very low	33.6	Very low	106 Å²	106	141.7 Å²	141.7	74%	0.741	83%	0.827	S	S	*	*			trans	-157.5	145	-178.5	-67.4	0	0	0	0	108.3
454	P	34.5	Very low	33.5	Very low	119 Å²	119	139 Å²	139	77%	0.773	82%	0.823	S	S	*	*				-153.3	170.1	105.2	37.5	-20.5	0	0	0	116.4
455	S	35.1	Very low	33.7	Very low	122 Å²	122	138.5 Å²	138.5	85%	0.853	83%	0.826	S	S	*	*			trans	111.2	144.5	152.3	-47.3	0	0	0	0	117.4
456	A	32.5	Very low	33.5	Very low	93 Å²	93	138.8 Å²	138.8	77%	0.769	82%	0.819	S	S	*	*			trans	-107	-172.9	-172.8	0	0	0	0	0	109.8
457	P	35.7	Very low	33.6	Very low	108 Å²	108	142.3 Å²	142.3	70%	0.701	82%	0.817	S	S	*	*			cis	-145.3	164.5	13.7	44.6	-25.1	0	0	0	119.4
458	T	32.3	Very low	33.7	Very low	125 Å²	125	144.2 Å²	144.2	77%	0.767	81%	0.813	S	S	*	*			trans	33.9	121.6	145.5	60.2	0	0	0	0	121.5
459	N	37.2	Very low	33.7	Very low	162 Å²	162	148.7 Å²	148.7	87%	0.866	82%	0.819	S	S	*	*				-154.7	171.5	106.2	-130.4	-38.3	0	0	0	113.5
460	K	33.6	Very low	34.2	Very low	189 Å²	189	145 Å²	145	82%	0.822	81%	0.812	S	S	*	*			trans	-109.8	135.1	-168.2	-53.1	172.2	-176.9	175.2	0	113.9
461	V	34.5	Very low	34.7	Very low	137 Å²	137	139 Å²	139	83%	0.83	80%	0.803	S	S	*	*			trans	-148.5	130.7	142.2	-174.6	0	0	0	0	108.8
462	P	31.5	Very low	35.3	Very low	114 Å²	114	137.5 Å²	137.5	74%	0.74	80%	0.796	S	S	*	*			trans	-114.1	128.6	175.3	36.2	-25.5	0	0	0	113.4
463	I	35.8	Very low	36.1	Very low	164 Å²	164	133.9 Å²	133.9	84%	0.841	78%	0.781	S	S	*	*			trans	-135	134.9	159.7	-61.8	-176.8	0	0	0	107.8
464	S	29.5	Very low	36.9	Very low	115 Å²	115	135.4 Å²	135.4	80%	0.804	79%	0.786	S	S	*	*			trans	-103.5	128.7	-174.7	-59.7	0	0	0	0	112.4
465	T	34.9	Very low	37.4	Very low	143 Å²	143	132.9 Å²	132.9	88%	0.877	77%	0.766	S	S	*	*			trans	-134	144.7	152.5	42.1	0	0	0	0	108.7
466	K	31.4	Very low	38.7	Very low	176 Å²	176	131.2 Å²	131.2	77%	0.765	76%	0.759	S	S	*	*			trans	-85.3	135.8	-171	-61.1	178.8	178.9	-177.5	0	111.9
467	Y	36.8	Very low	41	Very low	228 Å²	228	130 Å²	130	89%	0.894	74%	0.743	S	S	*	*			trans	-142.2	126.9	142.6	-90.2	-79	0	0	0	107.8	N469	Y467-N469 PolarHBondContact O-N 3.08Å
468	D	33.3	Very low	42.7	Very low	144 Å²	144	132.1 Å²	132.1	77%	0.77	75%	0.745	S	S	*	*			trans	-83.3	107.9	-169.4	-71	-64.3	0	0	0	112	S470	D468-S470 PolarHBondContact O-N 3.42Å
469	N	32.2	Very low	44.8	Very low	168 Å²	168	130.8 Å²	130.8	90%	0.898	73%	0.73	S	S	*	*			trans	-72.7	89.7	169.7	-75.5	-47	0	0	0	110.1	Y467 S471	Y467-N469 PolarHBondContact O-N 3.08Å; N469-S471 PolarHBondContact O-N 3.01Å
470	S	41.5	Very low	46.6	Very low	115 Å²	115	125.4 Å²	125.4	80%	0.804	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-74	121.6	170.7	43.7	0	0	0	0	110.7	D468	D468-S470 PolarHBondContact O-N 3.42Å
471	S	43.1	Very low	48.5	Very low	97 Å²	97	120.4 Å²	120.4	68%	0.678	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-61.8	150.8	170.2	52.3	0	0	0	0	111	N469	N469-S471 PolarHBondContact O-N 3.01Å
472	P	46.5	Very low	50.4	Low	103 Å²	103	117.4 Å²	117.4	67%	0.669	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-55.4	135.7	176.3	24.2	-34.5	0	0	0	110.6
473	P	52.5	Low	52.7	Low	84 Å²	84	117.3 Å²	117.3	55%	0.545	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-62.8	150.8	179.5	27	-34.4	0	0	0	110.4	L475	P473-L475 VanDerWaalsContact C-N 3.31Å; P473-L475 HydrophobicContact CG-CD2 4.18Å; P473-L475 PolarHBondContact O-N 3.37Å
474	T	50.3	Low	54.6	Low	138 Å²	138	114.3 Å²	114.3	85%	0.847	63%	0.63	S	S	*	*			trans	-72.5	85.9	178.6	-48.1	0	0	0	0	109.8	A476	T474-A476 PolarHBondContact O-N 2.91Å
475	L	44.8	Very low	56.8	Low	65 Å²	65	114.4 Å²	114.4	34%	0.34	62%	0.617	S	S	.	*			trans	-57.7	96.9	-178.6	-57.4	172.8	0	0	0	110	P473 D480 L481 W484	P473-L475 VanDerWaalsContact C-N 3.31Å; P473-L475 HydrophobicContact CG-CD2 4.18Å; P473-L475 PolarHBondContact O-N 3.37Å; L475-D480 HydrophobicContact CD2-CB 3.94Å; L475-L481 HydrophobicContact CB-CG 4.17Å; L475-L481 HydrophobicContact CD1-CD2 3.9Å; L475-L481 HydrophobicContact CD1-CG 3.88Å; L475-W484 HydrophobicContact CD2-CB 4.17Å
476	A	62.9	Low	58.7	Low	87 Å²	87	116.6 Å²	116.6	72%	0.719	61%	0.61	S	S	*	*			trans	-96.9	-22.4	-169.8	0	0	0	0	0	112	T474 D480	T474-A476 PolarHBondContact O-N 2.91Å; A476-D480 PolarHBondContact N-OD2 3.17Å
477	T	79.8	Confident	61	Low	69 Å²	69	113.3 Å²	113.3	42%	0.423	60%	0.601	S	S	.	*	S	Bend	trans	-125.9	159.8	178.3	95.3	0	0	0	0	112.1	H479 D480 L481	T477-H479 PolarHBondContact O-N 2.91Å; T477-H479 VanDerWaalsContact OG1-CB 3.31Å; T477-H479 WeakPolarHBondContact OG1-CB 3.47Å; T477-H479 PolarHBondContact OG1-N 3.33Å; T477-D480 WeakPolarHBondContact CB-OD1 3.35Å; T477-D480 PolarHBondContact N-OD2 3.33Å; T477-D480 PolarHBondContact O-N 3.48Å; T477-D480 VanDerWaalsContact OG1-CG 3.31Å; T477-D480 PolarHBondContact OG1-N 3.14Å; T477-D480 PolarHBondContact OG1-OD1 2.95Å; T477-L481 PolarHBondContact O-N 3.45Å
478	M	72.2	Confident	62.9	Low	151 Å²	151	107.3 Å²	107.3	74%	0.744	58%	0.581	S	S	*	*	H	α-helix	trans	-62.8	-20.6	170.6	-173.7	-178.5	70.2	0	0	112.3	L482	M478-L482 HydrophobicContact CG-CD1 4.27Å; M478-L482 WeakPolarHBondContact O-CD1 3.43Å; M478-L482 VanDerWaalsContact O-CG 3.26Å; M478-L482 WeakPolarHBondContact O-CG 3.27Å; M478-L482 PolarHBondContact O-N 3.15Å
479	H	77.1	Confident	64.8	Low	98 Å²	98	102.7 Å²	102.7	45%	0.454	56%	0.563	S	S	.	*	H	α-helix	trans	-72.7	-53.4	177.2	-163.4	32.5	0	0	0	110.4	T477 L481 L482 E483 Q794	T477-H479 PolarHBondContact O-N 2.91Å; T477-H479 VanDerWaalsContact OG1-CB 3.31Å; T477-H479 WeakPolarHBondContact OG1-CB 3.47Å; T477-H479 PolarHBondContact OG1-N 3.33Å; H479-L481 PolarHBondContact O-N 3.29Å; H479-L482 WeakPolarHBondContact O-CB 3.36Å; H479-L482 PolarHBondContact O-N 3.47Å; H479-E483 WeakPolarHBondContact O-CB 3.49Å; H479-E483 PolarHBondContact O-N 3.35Å; H479-Q794 PolarHBondContact NE2-NE2 3Å
480	D	74.3	Confident	67	Low	49 Å²	49	96.3 Å²	96.3	26%	0.262	54%	0.536	S	S	.	.	H	α-helix	trans	-56.8	-38.8	176.8	-11.4	-33.2	0	0	0	111.2	L475 A476 T477 W484	L475-D480 HydrophobicContact CD2-CB 3.94Å; A476-D480 PolarHBondContact N-OD2 3.17Å; T477-D480 WeakPolarHBondContact CB-OD1 3.35Å; T477-D480 PolarHBondContact N-OD2 3.33Å; T477-D480 PolarHBondContact O-N 3.48Å; T477-D480 VanDerWaalsContact OG1-CG 3.31Å; T477-D480 PolarHBondContact OG1-N 3.14Å; T477-D480 PolarHBondContact OG1-OD1 2.95Å; D480-W484 VanDerWaalsContact O-CB 3.25Å; D480-W484 WeakPolarHBondContact O-CB 3.06Å; D480-W484 PolarHBondContact O-N 3.33Å
481	L	73.8	Confident	68.6	Low	83 Å²	83	93.5 Å²	93.5	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-37.5	176.3	-119	170.8	0	0	0	113	L475 T477 H479 Q485	L475-L481 HydrophobicContact CB-CG 4.17Å; L475-L481 HydrophobicContact CD1-CD2 3.9Å; L475-L481 HydrophobicContact CD1-CG 3.88Å; T477-L481 PolarHBondContact O-N 3.45Å; H479-L481 PolarHBondContact O-N 3.29Å; L481-Q485 WeakPolarHBondContact O-CG 3.33Å; L481-Q485 PolarHBondContact O-N 3.13Å
482	L	75.4	Confident	70.2	Confident	75 Å²	75	93.4 Å²	93.4	39%	0.393	51%	0.512	S	S	.	.	H	α-helix	trans	-75.2	-45.2	175.8	-75.4	167.7	0	0	0	111.1	M478 H479 W484 Q485 W486	M478-L482 HydrophobicContact CG-CD1 4.27Å; M478-L482 WeakPolarHBondContact O-CD1 3.43Å; M478-L482 VanDerWaalsContact O-CG 3.26Å; M478-L482 WeakPolarHBondContact O-CG 3.27Å; M478-L482 PolarHBondContact O-N 3.15Å; H479-L482 WeakPolarHBondContact O-CB 3.36Å; H479-L482 PolarHBondContact O-N 3.47Å; L482-W484 PolarHBondContact O-N 3.38Å; L482-Q485 CarbonylContact O-C 3.57Å; L482-Q485 WeakPolarHBondContact O-CA 3.41Å; L482-Q485 WeakPolarHBondContact O-CB 3.2Å; L482-Q485 PolarHBondContact O-N 3.24Å; L482-W486 PolarHBondContact O-N 3.5Å
483	E	78.2	Confident	71.1	Confident	111 Å²	111	91.9 Å²	91.9	52%	0.519	50%	0.497	S	S	.	.	H	α-helix	trans	-58.2	-47.3	178	-171.2	165	-137.8	0	0	110.9	H479 Q485 W486 D487	H479-E483 WeakPolarHBondContact O-CB 3.49Å; H479-E483 PolarHBondContact O-N 3.35Å; E483-Q485 VanDerWaalsContact C-N 3.32Å; E483-Q485 PolarHBondContact O-N 3.42Å; E483-W486 PolarHBondContact O-N 2.71Å; E483-W486 VanDerWaalsContact O-N 3.08Å; E483-D487 PolarHBondContact O-N 2.91Å
484	W	77.2	Confident	72	Confident	102 Å²	102	94.9 Å²	94.9	39%	0.386	51%	0.506	S	S	.	.	H	α-helix	trans	-59.5	-38.7	172.2	-175.6	82.1	0	0	0	112.8	L475 D480 L482 D487 Q488	L475-W484 HydrophobicContact CD2-CB 4.17Å; D480-W484 VanDerWaalsContact O-CB 3.25Å; D480-W484 WeakPolarHBondContact O-CB 3.06Å; D480-W484 PolarHBondContact O-N 3.33Å; L482-W484 PolarHBondContact O-N 3.38Å; W484-D487 PolarHBondContact O-N 2.94Å; W484-Q488 HydrophobicContact CD2-CG 3.99Å; W484-Q488 HydrophobicContact CE3-CG 4.18Å; W484-Q488 HydrophobicContact CH2-CG 3.93Å; W484-Q488 HydrophobicContact CZ2-CG 3.71Å; W484-Q488 HydrophobicContact CZ3-CG 4.15Å; W484-Q488 VanDerWaalsContact O-CG 3.26Å; W484-Q488 WeakPolarHBondContact O-CG 3.4Å; W484-Q488 PolarHBondContact O-N 2.93Å
485	Q	75.2	Confident	72.8	Confident	116 Å²	116	95.5 Å²	95.5	54%	0.542	50%	0.499	S	S	.	.	H	α-helix	trans	-67	-35.9	173.6	-80.6	-166.5	-40.1	0	0	113.2	L481 L482 E483 A489	L481-Q485 WeakPolarHBondContact O-CG 3.33Å; L481-Q485 PolarHBondContact O-N 3.13Å; L482-Q485 CarbonylContact O-C 3.57Å; L482-Q485 WeakPolarHBondContact O-CA 3.41Å; L482-Q485 WeakPolarHBondContact O-CB 3.2Å; L482-Q485 PolarHBondContact O-N 3.24Å; E483-Q485 VanDerWaalsContact C-N 3.32Å; E483-Q485 PolarHBondContact O-N 3.42Å; Q485-A489 WeakPolarHBondContact O-CB 3.32Å; Q485-A489 PolarHBondContact O-N 3.22Å
486	W	75.4	Confident	73.8	Confident	190 Å²	190	97 Å²	97	72%	0.72	50%	0.504	S	S	*	.	H	α-helix	trans	-67.4	-41.5	174.4	-71.6	113.2	0	0	0	111.5	L482 E483 A489 G490	L482-W486 PolarHBondContact O-N 3.5Å; E483-W486 PolarHBondContact O-N 2.71Å; E483-W486 VanDerWaalsContact O-N 3.08Å; W486-A489 PolarHBondContact O-N 3.45Å; W486-G490 PolarHBondContact O-N 3.42Å
487	D	78.8	Confident	73.5	Confident	107 Å²	107	94.5 Å²	94.5	57%	0.572	48%	0.484	S	S	*	.	H	α-helix	trans	-63.8	-44.1	174.9	-81.3	-10.2	0	0	0	112.2	E483 W484 A489 G490 A491	E483-D487 PolarHBondContact O-N 2.91Å; W484-D487 PolarHBondContact O-N 2.94Å; D487-A489 VanDerWaalsContact C-N 3.32Å; D487-A489 PolarHBondContact O-N 3.26Å; D487-G490 PolarHBondContact O-N 3.34Å; D487-A491 WeakPolarHBondContact O-CB 3.29Å; D487-A491 PolarHBondContact O-N 2.88Å
488	Q	76.4	Confident	72.6	Confident	101 Å²	101	100 Å²	100	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-61.4	-40.5	174.6	-69.5	-60.6	-60.4	0	0	111.7	W484 L492	W484-Q488 HydrophobicContact CD2-CG 3.99Å; W484-Q488 HydrophobicContact CE3-CG 4.18Å; W484-Q488 HydrophobicContact CH2-CG 3.93Å; W484-Q488 HydrophobicContact CZ2-CG 3.71Å; W484-Q488 HydrophobicContact CZ3-CG 4.15Å; W484-Q488 VanDerWaalsContact O-CG 3.26Å; W484-Q488 WeakPolarHBondContact O-CG 3.4Å; W484-Q488 PolarHBondContact O-N 2.93Å; Q488-L492 WeakPolarHBondContact O-CB 3.46Å; Q488-L492 PolarHBondContact O-N 2.88Å; Q488-L492 VanDerWaalsContact O-N 3.09Å
489	A	73.5	Confident	72.2	Confident	48 Å²	48	99.7 Å²	99.7	40%	0.397	50%	0.503	S	S	.	.	H	α-helix	trans	-67.6	-39.6	175.7	0	0	0	0	0	112.4	Q485 W486 D487 L492 L493	Q485-A489 WeakPolarHBondContact O-CB 3.32Å; Q485-A489 PolarHBondContact O-N 3.22Å; W486-A489 PolarHBondContact O-N 3.45Å; D487-A489 VanDerWaalsContact C-N 3.32Å; D487-A489 PolarHBondContact O-N 3.26Å; A489-L492 PolarHBondContact O-N 3.36Å; A489-L493 WeakPolarHBondContact O-CB 3.39Å; A489-L493 PolarHBondContact O-N 3.19Å
490	G	78.3	Confident	71.5	Confident	33 Å²	33	98.4 Å²	98.4	34%	0.34	50%	0.502	S	S	.	.	H	α-helix	trans	-65.6	-44.5	176.1	0	0	0	0	0	112.6	W486 D487 L492 L493 M494	W486-G490 PolarHBondContact O-N 3.42Å; D487-G490 PolarHBondContact O-N 3.34Å; G490-L492 PolarHBondContact O-N 2.83Å; G490-L493 WeakPolarHBondContact O-CB 3.31Å; G490-L493 PolarHBondContact O-N 3.3Å; G490-M494 WeakPolarHBondContact O-CG 3.5Å; G490-M494 PolarHBondContact O-N 3.24Å
491	A	75.5	Confident	71.5	Confident	56 Å²	56	100.7 Å²	100.7	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-61.6	-42.1	175.2	0	0	0	0	0	111.9	D487 M494 Q495	D487-A491 WeakPolarHBondContact O-CB 3.29Å; D487-A491 PolarHBondContact O-N 2.88Å; A491-M494 PolarHBondContact O-N 3.03Å; A491-Q495 WeakPolarHBondContact O-CB 3.48Å; A491-Q495 PolarHBondContact O-N 3.28Å
492	L	75.3	Confident	71.6	Confident	96 Å²	96	101.5 Å²	101.5	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-65	-43.7	176.3	-162.8	160.8	0	0	0	111.2	Q488 A489 G490 M494 Q495 Q496	Q488-L492 WeakPolarHBondContact O-CB 3.46Å; Q488-L492 PolarHBondContact O-N 2.88Å; Q488-L492 VanDerWaalsContact O-N 3.09Å; A489-L492 PolarHBondContact O-N 3.36Å; G490-L492 PolarHBondContact O-N 2.83Å; L492-M494 PolarHBondContact O-N 3.09Å; L492-Q495 PolarHBondContact O-N 3.45Å; L492-Q496 HydrophobicContact CD2-CG 4.18Å; L492-Q496 PolarHBondContact O-N 2.77Å
493	L	67.3	Low	71.6	Confident	71 Å²	71	102.6 Å²	102.6	37%	0.372	53%	0.532	S	S	.	.	H	α-helix	trans	-57.5	-45.5	171.9	-95.6	161	0	0	0	112.1	A489 G490 Q495 Q496 A497 L505	A489-L493 WeakPolarHBondContact O-CB 3.39Å; A489-L493 PolarHBondContact O-N 3.19Å; G490-L493 WeakPolarHBondContact O-CB 3.31Å; G490-L493 PolarHBondContact O-N 3.3Å; L493-Q495 VanDerWaalsContact C-N 3.35Å; L493-Q495 PolarHBondContact O-N 3.25Å; L493-Q496 PolarHBondContact O-N 3.41Å; L493-A497 VanDerWaalsContact O-CB 3.27Å; L493-A497 WeakPolarHBondContact O-CB 3.41Å; L493-A497 PolarHBondContact O-N 2.87Å; L493-L505 HydrophobicContact CD2-CD1 4.26Å
494	M	69.8	Low	71.6	Confident	146 Å²	146	101 Å²	101	72%	0.719	53%	0.53	S	S	*	.	H	α-helix	trans	-67.5	-32.5	176.7	-71.6	-160.3	77.3	0	0	113.2	G490 A491 L492 A497 K498	G490-M494 WeakPolarHBondContact O-CG 3.5Å; G490-M494 PolarHBondContact O-N 3.24Å; A491-M494 PolarHBondContact O-N 3.03Å; L492-M494 PolarHBondContact O-N 3.09Å; M494-A497 PolarHBondContact O-N 3.39Å; M494-K498 PolarHBondContact O-N 3.32Å
495	Q	68.9	Low	71.6	Confident	151 Å²	151	98.5 Å²	98.5	71%	0.706	52%	0.524	S	S	*	.	H	α-helix	trans	-70.9	-34.9	175.8	-169.5	171.7	6.8	0	0	111.8	A491 L492 L493	A491-Q495 WeakPolarHBondContact O-CB 3.48Å; A491-Q495 PolarHBondContact O-N 3.28Å; L492-Q495 PolarHBondContact O-N 3.45Å; L493-Q495 VanDerWaalsContact C-N 3.35Å; L493-Q495 PolarHBondContact O-N 3.25Å
496	Q	63.8	Low	71.8	Confident	97 Å²	97	98.1 Å²	98.1	45%	0.453	53%	0.525	S	S	.	.	H	α-helix	trans	-72.4	-37.6	170.6	-69.6	-176.2	-45.1	0	0	112.1	L492 L493 K498 N499 T500	L492-Q496 HydrophobicContact CD2-CG 4.18Å; L492-Q496 PolarHBondContact O-N 2.77Å; L493-Q496 PolarHBondContact O-N 3.41Å; Q496-K498 PolarHBondContact O-N 3.01Å; Q496-N499 PolarHBondContact O-N 2.85Å; Q496-T500 PolarHBondContact O-N 2.9Å; Q496-T500 PolarHBondContact O-OG1 3.33Å
497	A	58.3	Low	72	Confident	34 Å²	34	94.2 Å²	94.2	28%	0.281	52%	0.518	S	S	.	.	H	α-helix	trans	-63.1	-19.1	-179.4	0	0	0	0	0	114.8	L493 M494 N499 L505	L493-A497 VanDerWaalsContact O-CB 3.27Å; L493-A497 WeakPolarHBondContact O-CB 3.41Å; L493-A497 PolarHBondContact O-N 2.87Å; M494-A497 PolarHBondContact O-N 3.39Å; A497-N499 PolarHBondContact O-N 3.31Å; A497-L505 HydrophobicContact CB-CD2 3.87Å
498	K	61	Low	72.1	Confident	185 Å²	185	92 Å²	92	80%	0.804	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.2	170.1	-78.3	-170.4	173.2	-175.4	0	113.6	M494 Q496	M494-K498 PolarHBondContact O-N 3.32Å; Q496-K498 PolarHBondContact O-N 3.01Å
499	N	62.8	Low	72.5	Confident	144 Å²	144	91.4 Å²	91.4	77%	0.77	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	5.5	-169.6	-60.9	21.8	0	0	0	112.7	Q496 A497	Q496-N499 PolarHBondContact O-N 2.85Å; A497-N499 PolarHBondContact O-N 3.31Å
500	T	62.6	Low	73.1	Confident	72 Å²	72	94.6 Å²	94.6	44%	0.442	52%	0.517	S	S	.	.	S	Bend	trans	-129.3	150.5	-176	55.1	0	0	0	0	112.3	Q496 V502	Q496-T500 PolarHBondContact O-N 2.9Å; Q496-T500 PolarHBondContact O-OG1 3.33Å; T500-V502 PolarHBondContact O-N 3.09Å
501	D	73.5	Confident	73.6	Confident	96 Å²	96	97.6 Å²	97.6	51%	0.513	52%	0.522	S	S	.	.			trans	-64.3	131.3	179.2	177.2	0.5	0	0	0	110.9	V503 T504 L505	D501-V503 PolarHBondContact O-N 3.06Å; D501-V503 VanDerWaalsContact O-N 3.15Å; D501-V503 PolarHBondContact OD1-N 3.36Å; D501-T504 HydrophobicContact CB-CG2 4.15Å; D501-T504 WeakPolarHBondContact O-CA 3.29Å; D501-T504 WeakPolarHBondContact O-CB 3.33Å; D501-T504 PolarHBondContact O-N 3.41Å; D501-T504 PolarHBondContact O-OG1 2.92Å; D501-L505 PolarHBondContact O-N 2.78Å; D501-L505 VanDerWaalsContact O-N 3.14Å
502	V	76.2	Confident	74.2	Confident	100 Å²	100	98.7 Å²	98.7	61%	0.606	52%	0.52	S	S	*	.	H	α-helix	trans	-51.7	-34.8	176.6	-178	0	0	0	0	111.7	T500 T504 L505 L506	T500-V502 PolarHBondContact O-N 3.09Å; V502-T504 PolarHBondContact O-N 3.42Å; V502-L505 PolarHBondContact O-N 2.87Å; V502-L506 HydrophobicContact CG1-CD1 4.02Å; V502-L506 HydrophobicContact CG1-CG 4.36Å; V502-L506 WeakPolarHBondContact O-CB 3.44Å; V502-L506 VanDerWaalsContact O-CG 3.31Å; V502-L506 WeakPolarHBondContact O-CG 3.39Å; V502-L506 PolarHBondContact O-N 3Å
503	V	75	Confident	74.8	Confident	98 Å²	98	99.7 Å²	99.7	59%	0.594	52%	0.52	S	S	*	.	H	α-helix	trans	-62.8	-42.5	175.9	-177.6	0	0	0	0	111.2	D501 L506 D507	D501-V503 PolarHBondContact O-N 3.06Å; D501-V503 VanDerWaalsContact O-N 3.15Å; D501-V503 PolarHBondContact OD1-N 3.36Å; V503-L506 PolarHBondContact O-N 3.5Å; V503-D507 PolarHBondContact O-N 3.4Å
504	T	79.4	Confident	75.8	Confident	78 Å²	78	97.9 Å²	97.9	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-69.4	-33.4	178.3	68.4	0	0	0	0	112.4	D501 V502 C508	D501-T504 HydrophobicContact CB-CG2 4.15Å; D501-T504 WeakPolarHBondContact O-CA 3.29Å; D501-T504 WeakPolarHBondContact O-CB 3.33Å; D501-T504 PolarHBondContact O-N 3.41Å; D501-T504 PolarHBondContact O-OG1 2.92Å; V502-T504 PolarHBondContact O-N 3.42Å; T504-C508 VanDerWaalsContact O-CB 3.3Å; T504-C508 WeakPolarHBondContact O-CB 3.49Å; T504-C508 PolarHBondContact O-N 2.85Å; T504-C508 VanDerWaalsContact O-N 3.08Å
505	L	77.6	Confident	76.5	Confident	49 Å²	49	93.8 Å²	93.8	26%	0.257	49%	0.492	S	S	.	.	H	α-helix	trans	-69.2	-41.8	174	-175.8	63.3	0	0	0	111.5	L493 A497 D501 V502 C508 L509	L493-L505 HydrophobicContact CD2-CD1 4.26Å; A497-L505 HydrophobicContact CB-CD2 3.87Å; D501-L505 PolarHBondContact O-N 2.78Å; D501-L505 VanDerWaalsContact O-N 3.14Å; V502-L505 PolarHBondContact O-N 2.87Å; L505-C508 PolarHBondContact O-N 3.09Å; L505-L509 HydrophobicContact CG-CD1 4.12Å; L505-L509 WeakPolarHBondContact O-CB 3.3Å; L505-L509 VanDerWaalsContact O-CG 3.28Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 3.26Å
506	L	78.8	Confident	77.4	Confident	109 Å²	109	91.1 Å²	91.1	57%	0.571	48%	0.482	S	S	*	.	H	α-helix	trans	-63.6	-42.9	176.3	-76	168.9	0	0	0	112.3	V502 V503 L509 H510	V502-L506 HydrophobicContact CG1-CD1 4.02Å; V502-L506 HydrophobicContact CG1-CG 4.36Å; V502-L506 WeakPolarHBondContact O-CB 3.44Å; V502-L506 VanDerWaalsContact O-CG 3.31Å; V502-L506 WeakPolarHBondContact O-CG 3.39Å; V502-L506 PolarHBondContact O-N 3Å; V503-L506 PolarHBondContact O-N 3.5Å; L506-L509 PolarHBondContact O-N 2.99Å; L506-H510 WeakPolarHBondContact O-CB 3.09Å; L506-H510 PolarHBondContact O-N 3.2Å
507	D	79.8	Confident	78.7	Confident	107 Å²	107	90 Å²	90	57%	0.572	48%	0.48	S	S	*	.	H	α-helix	trans	-67.6	-38.5	177.8	-159.3	41.6	0	0	0	111.4	V503 H510 Q511	V503-D507 PolarHBondContact O-N 3.4Å; D507-H510 PolarHBondContact O-N 3.43Å; D507-Q511 WeakPolarHBondContact O-CB 3.37Å; D507-Q511 PolarHBondContact O-N 2.9Å
508	C	81.4	Confident	80.3	Confident	61 Å²	61	92.2 Å²	92.2	41%	0.412	49%	0.486	S	S	.	.	H	α-helix	trans	-61.7	-45.2	171.6	-173.5	0	0	0	0	112.5	T504 L505 Q511 L512	T504-C508 VanDerWaalsContact O-CB 3.3Å; T504-C508 WeakPolarHBondContact O-CB 3.49Å; T504-C508 PolarHBondContact O-N 2.85Å; T504-C508 VanDerWaalsContact O-N 3.08Å; L505-C508 PolarHBondContact O-N 3.09Å; C508-Q511 PolarHBondContact O-N 2.86Å; C508-L512 WeakPolarHBondContact O-CB 3.44Å; C508-L512 WeakPolarHBondContact O-CG 3.3Å; C508-L512 PolarHBondContact O-N 2.79Å
509	L	83.4	Confident	81.6	Confident	89 Å²	89	87.8 Å²	87.8	47%	0.466	47%	0.471	S	S	.	.	H	α-helix	trans	-64.7	-38.8	176	-74.4	168.4	0	0	0	112.1	L505 L506 L512 K513	L505-L509 HydrophobicContact CG-CD1 4.12Å; L505-L509 WeakPolarHBondContact O-CB 3.3Å; L505-L509 VanDerWaalsContact O-CG 3.28Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 3.26Å; L506-L509 PolarHBondContact O-N 2.99Å; L509-L512 PolarHBondContact O-N 2.91Å; L509-K513 WeakPolarHBondContact O-CB 3.45Å; L509-K513 PolarHBondContact O-N 2.68Å
510	H	87	Confident	83	Confident	114 Å²	114	84.5 Å²	84.5	53%	0.528	45%	0.451	S	S	.	.	H	α-helix	trans	-66.2	-42.1	175.2	-178.5	-111.5	0	0	0	111.9	L506 D507 K513 C514	L506-H510 WeakPolarHBondContact O-CB 3.09Å; L506-H510 PolarHBondContact O-N 3.2Å; D507-H510 PolarHBondContact O-N 3.43Å; H510-K513 PolarHBondContact O-N 3.5Å; H510-C514 PolarHBondContact O-N 2.91Å; H510-C514 PolarHBondContact O-SG 3.09Å
511	Q	89.1	Confident	84.3	Confident	97 Å²	97	83.9 Å²	83.9	45%	0.453	45%	0.453	S	S	.	.	H	α-helix	trans	-62.3	-45.2	173.3	176.2	60.9	18.7	0	0	111.8	D507 C508 K513 C514 E515	D507-Q511 WeakPolarHBondContact O-CB 3.37Å; D507-Q511 PolarHBondContact O-N 2.9Å; C508-Q511 PolarHBondContact O-N 2.86Å; Q511-K513 VanDerWaalsContact C-N 3.32Å; Q511-K513 PolarHBondContact O-N 3.17Å; Q511-C514 PolarHBondContact O-N 3.16Å; Q511-E515 PolarHBondContact NE2-OE1 3.14Å; Q511-E515 PolarHBondContact O-N 3.27Å
512	L	86.8	Confident	85.2	Confident	79 Å²	79	84 Å²	84	41%	0.414	45%	0.449	S	S	.	.	H	α-helix	trans	-62.3	-39.1	175.8	-74.7	170.2	0	0	0	112	C508 L509 E515 N516	C508-L512 WeakPolarHBondContact O-CB 3.44Å; C508-L512 WeakPolarHBondContact O-CG 3.3Å; C508-L512 PolarHBondContact O-N 2.79Å; L509-L512 PolarHBondContact O-N 2.91Å; L512-E515 PolarHBondContact O-N 2.77Å; L512-N516 WeakPolarHBondContact O-CB 3.26Å; L512-N516 PolarHBondContact O-N 3.05Å
513	K	89.2	Confident	85.9	Confident	116 Å²	116	84.6 Å²	84.6	50%	0.504	45%	0.448	S	S	.	.	H	α-helix	trans	-61.3	-48.1	172.4	175.5	164.9	172.4	38.7	0	111.6	L509 H510 Q511 E515 N516 D517	L509-K513 WeakPolarHBondContact O-CB 3.45Å; L509-K513 PolarHBondContact O-N 2.68Å; H510-K513 PolarHBondContact O-N 3.5Å; Q511-K513 VanDerWaalsContact C-N 3.32Å; Q511-K513 PolarHBondContact O-N 3.17Å; K513-E515 PolarHBondContact O-N 3.47Å; K513-N516 PolarHBondContact O-N 2.94Å; K513-D517 IonicContact NZ-OD1 3.7Å; K513-D517 PolarHBondContact NZ-OD1 2.95Å; K513-D517 IonicContact NZ-OD2 2.94Å; K513-D517 PolarHBondContact NZ-OD2 3.14Å; K513-D517 VanDerWaalsContact O-CG 3.32Å; K513-D517 PolarHBondContact O-N 2.98Å
514	C	87.5	Confident	86.8	Confident	34 Å²	34	85 Å²	85	23%	0.23	45%	0.446	C	S	.	.	H	α-helix	trans	-63	-39.9	177.6	-68.5	0	0	0	0	112.4	H510 Q511 I518	H510-C514 PolarHBondContact O-N 2.91Å; H510-C514 PolarHBondContact O-SG 3.09Å; Q511-C514 PolarHBondContact O-N 3.16Å; C514-I518 WeakPolarHBondContact O-CB 3.45Å; C514-I518 WeakPolarHBondContact O-CD1 3.37Å; C514-I518 WeakPolarHBondContact O-CG1 3.36Å; C514-I518 PolarHBondContact O-N 2.83Å
515	E	84.6	Confident	87.3	Confident	60 Å²	60	88.8 Å²	88.8	28%	0.28	45%	0.451	S	S	.	.	H	α-helix	trans	-63.5	-40.5	174.2	-75.8	-168.3	-160.4	0	0	111.8	R423 Q511 L512 K513 L519	R423-E515 IonicContact CZ-OE2 3.55Å; R423-E515 IonicContact NH2-OE1 2.69Å; R423-E515 PolarHBondContact NH2-OE1 3.22Å; R423-E515 IonicContact NH2-OE2 2.98Å; R423-E515 PolarHBondContact NH2-OE2 3.43Å; Q511-E515 PolarHBondContact NE2-OE1 3.14Å; Q511-E515 PolarHBondContact O-N 3.27Å; L512-E515 PolarHBondContact O-N 2.77Å; K513-E515 PolarHBondContact O-N 3.47Å; E515-L519 WeakPolarHBondContact O-CB 3.36Å; E515-L519 WeakPolarHBondContact O-CG 3.49Å; E515-L519 PolarHBondContact O-N 3.5Å
516	N	88.2	Confident	87.8	Confident	94 Å²	94	91.6 Å²	91.6	50%	0.503	47%	0.466	S	S	.	.	H	α-helix	trans	-65.3	-49.2	175	-81.1	-22.9	0	0	0	112.8	L512 K513 I518 L519 E520	L512-N516 WeakPolarHBondContact O-CB 3.26Å; L512-N516 PolarHBondContact O-N 3.05Å; K513-N516 PolarHBondContact O-N 2.94Å; N516-I518 PolarHBondContact O-N 3.41Å; N516-L519 CarbonylContact O-C 3.57Å; N516-L519 WeakPolarHBondContact O-CA 3.42Å; N516-L519 WeakPolarHBondContact O-CB 3.3Å; N516-L519 PolarHBondContact O-N 3.38Å; N516-E520 PolarHBondContact O-N 3.27Å
517	D	90.4	Very high	88.5	Confident	74 Å²	74	90 Å²	90	40%	0.396	46%	0.461	S	S	.	.	H	α-helix	trans	-58.7	-38.2	178.6	-66.3	-24.2	0	0	0	110.6	K513 A521	K513-D517 IonicContact NZ-OD1 3.7Å; K513-D517 PolarHBondContact NZ-OD1 2.95Å; K513-D517 IonicContact NZ-OD2 2.94Å; K513-D517 PolarHBondContact NZ-OD2 3.14Å; K513-D517 VanDerWaalsContact O-CG 3.32Å; K513-D517 PolarHBondContact O-N 2.98Å; D517-A521 PolarHBondContact O-N 3.37Å; D517-A521 VanDerWaalsContact O-N 3.15Å
518	I	91.5	Very high	89.1	Confident	80 Å²	80	89.4 Å²	89.4	41%	0.41	46%	0.461	S	S	.	.	H	α-helix	trans	-68.7	-34.8	173.4	-71.8	169.3	0	0	0	112.3	C514 N516 K522	C514-I518 WeakPolarHBondContact O-CB 3.45Å; C514-I518 WeakPolarHBondContact O-CD1 3.37Å; C514-I518 WeakPolarHBondContact O-CG1 3.36Å; C514-I518 PolarHBondContact O-N 2.83Å; N516-I518 PolarHBondContact O-N 3.41Å; I518-K522 HydrophobicContact CG2-CD 4.01Å; I518-K522 WeakPolarHBondContact O-CB 3.5Å; I518-K522 WeakPolarHBondContact O-CD 3.39Å; I518-K522 WeakPolarHBondContact O-CG 3.48Å; I518-K522 PolarHBondContact O-N 2.95Å
519	L	89.3	Confident	89.7	Confident	93 Å²	93	94.5 Å²	94.5	49%	0.487	47%	0.472	S	S	.	.	H	α-helix	trans	-72.8	-39.4	176.6	-75.9	167.4	0	0	0	112.1	E515 N516 K522 L523	E515-L519 WeakPolarHBondContact O-CB 3.36Å; E515-L519 WeakPolarHBondContact O-CG 3.49Å; E515-L519 PolarHBondContact O-N 3.5Å; N516-L519 CarbonylContact O-C 3.57Å; N516-L519 WeakPolarHBondContact O-CA 3.42Å; N516-L519 WeakPolarHBondContact O-CB 3.3Å; N516-L519 PolarHBondContact O-N 3.38Å; L519-K522 HydrophobicContact CD2-CD 4.34Å; L519-K522 PolarHBondContact O-N 3.22Å; L519-L523 WeakPolarHBondContact O-CB 3.14Å; L519-L523 PolarHBondContact O-N 3.02Å
520	E	91.7	Very high	90.1	Very high	74 Å²	74	95 Å²	95	35%	0.346	47%	0.472	S	S	.	.	H	α-helix	trans	-58.6	-49	171.7	-71.9	-171.4	-165.8	0	0	110.7	N516 K522 L523 I524 R793	N516-E520 PolarHBondContact O-N 3.27Å; E520-K522 VanDerWaalsContact C-N 3.34Å; E520-K522 PolarHBondContact O-N 3.32Å; E520-L523 PolarHBondContact O-N 3.06Å; E520-L523 VanDerWaalsContact O-N 3.12Å; E520-I524 WeakPolarHBondContact O-CG1 3.4Å; E520-I524 PolarHBondContact O-N 3.03Å; E520-R793 IonicContact OE1-CZ 2.69Å; E520-R793 IonicContact OE1-NH1 2.76Å; E520-R793 PolarHBondContact OE1-NH1 2.84Å; E520-R793 IonicContact OE1-NH2 3.26Å; E520-R793 PolarHBondContact OE1-NH2 3.49Å; E520-R793 IonicContact OE2-CZ 3.66Å; E520-R793 IonicContact OE2-NH1 3.22Å; E520-R793 IonicContact OE2-NH2 2.81Å; E520-R793 PolarHBondContact OE2-NH2 2.74Å
521	A	90.3	Very high	90.5	Very high	59 Å²	59	93.5 Å²	93.5	49%	0.488	47%	0.465	S	S	.	.	H	α-helix	trans	-60.6	-38.9	176	0	0	0	0	0	113.1	D517 R525	D517-A521 PolarHBondContact O-N 3.37Å; D517-A521 VanDerWaalsContact O-N 3.15Å; A521-R525 WeakPolarHBondContact O-CB 3.25Å; A521-R525 PolarHBondContact O-N 3.43Å
522	K	92.4	Very high	90.7	Very high	100 Å²	100	94.7 Å²	94.7	44%	0.435	47%	0.47	S	S	.	.	H	α-helix	trans	-64.8	-41	173.8	-76.6	163.6	-176.5	167.6	0	111.7	I518 L519 E520 L526	I518-K522 HydrophobicContact CG2-CD 4.01Å; I518-K522 WeakPolarHBondContact O-CB 3.5Å; I518-K522 WeakPolarHBondContact O-CD 3.39Å; I518-K522 WeakPolarHBondContact O-CG 3.48Å; I518-K522 PolarHBondContact O-N 2.95Å; L519-K522 HydrophobicContact CD2-CD 4.34Å; L519-K522 PolarHBondContact O-N 3.22Å; E520-K522 VanDerWaalsContact C-N 3.34Å; E520-K522 PolarHBondContact O-N 3.32Å; K522-L526 VanDerWaalsContact O-CG 3.3Å; K522-L526 WeakPolarHBondContact O-CG 3.32Å; K522-L526 PolarHBondContact O-N 3.36Å; K522-L526 VanDerWaalsContact O-N 3.08Å
523	L	91.5	Very high	90.9	Very high	111 Å²	111	95.3 Å²	95.3	58%	0.581	47%	0.473	S	S	*	.	H	α-helix	trans	-67.7	-48.5	-179.6	-174.4	141	0	0	0	111.3	L519 E520 R525 L526 T527	L519-L523 WeakPolarHBondContact O-CB 3.14Å; L519-L523 PolarHBondContact O-N 3.02Å; E520-L523 PolarHBondContact O-N 3.06Å; E520-L523 VanDerWaalsContact O-N 3.12Å; L523-R525 VanDerWaalsContact C-N 3.33Å; L523-R525 PolarHBondContact O-N 3.39Å; L523-L526 PolarHBondContact O-N 3.01Å; L523-L526 VanDerWaalsContact O-N 3.07Å; L523-T527 PolarHBondContact O-N 2.86Å; L523-T527 PolarHBondContact O-OG1 2.93Å
524	I	92.4	Very high	91.1	Very high	107 Å²	107	95.4 Å²	95.4	55%	0.549	47%	0.474	S	S	.	.	H	α-helix	trans	-52.7	-51.9	174.9	-68	164.8	0	0	0	110.1	E520 L526 T527 T528	E520-I524 WeakPolarHBondContact O-CG1 3.4Å; E520-I524 PolarHBondContact O-N 3.03Å; I524-L526 VanDerWaalsContact C-N 3.29Å; I524-L526 PolarHBondContact O-N 3.25Å; I524-T527 PolarHBondContact O-N 3.4Å; I524-T527 VanDerWaalsContact O-N 3.17Å; I524-T528 PolarHBondContact O-N 3.06Å; I524-T528 PolarHBondContact O-OG1 2.88Å
525	R	90.9	Very high	91.3	Very high	157 Å²	157	97 Å²	97	59%	0.592	49%	0.485	S	S	*	.	H	α-helix	trans	-60.4	-35.5	179.3	-170.9	-173.7	66.8	153.6	0.2	113.2	A521 L523 R529	A521-R525 WeakPolarHBondContact O-CB 3.25Å; A521-R525 PolarHBondContact O-N 3.43Å; L523-R525 VanDerWaalsContact C-N 3.33Å; L523-R525 PolarHBondContact O-N 3.39Å; R525-R529 WeakPolarHBondContact O-CB 2.9Å; R525-R529 PolarHBondContact O-N 3.45Å; R525-R529 VanDerWaalsContact O-N 3.16Å
526	L	88.7	Confident	91.7	Very high	108 Å²	108	96.7 Å²	96.7	57%	0.565	49%	0.487	S	S	*	.	H	α-helix	trans	-71.9	-40.9	176.3	-75.4	169.9	0	0	0	111.7	K522 L523 I524 R529 H530	K522-L526 VanDerWaalsContact O-CG 3.3Å; K522-L526 WeakPolarHBondContact O-CG 3.32Å; K522-L526 PolarHBondContact O-N 3.36Å; K522-L526 VanDerWaalsContact O-N 3.08Å; L523-L526 PolarHBondContact O-N 3.01Å; L523-L526 VanDerWaalsContact O-N 3.07Å; I524-L526 VanDerWaalsContact C-N 3.29Å; I524-L526 PolarHBondContact O-N 3.25Å; L526-R529 PolarHBondContact O-N 3.34Å; L526-H530 WeakPolarHBondContact O-CB 3.36Å; L526-H530 PolarHBondContact O-N 3.25Å
527	T	92.8	Very high	91.8	Very high	75 Å²	75	97 Å²	97	46%	0.46	49%	0.489	S	S	.	.	H	α-helix	trans	-64.3	-45.4	175.5	-58.6	0	0	0	0	111.7	L523 I524 R529 H530 E531	L523-T527 PolarHBondContact O-N 2.86Å; L523-T527 PolarHBondContact O-OG1 2.93Å; I524-T527 PolarHBondContact O-N 3.4Å; I524-T527 VanDerWaalsContact O-N 3.17Å; T527-R529 VanDerWaalsContact C-N 3.3Å; T527-R529 PolarHBondContact O-N 2.93Å; T527-H530 WeakPolarHBondContact O-CB 3.43Å; T527-H530 PolarHBondContact O-N 2.94Å; T527-H530 VanDerWaalsContact O-N 3.09Å; T527-E531 PolarHBondContact O-N 2.7Å
528	T	93.2	Very high	91.8	Very high	95 Å²	95	95.8 Å²	95.8	58%	0.583	49%	0.489	S	S	*	.	H	α-helix	trans	-58.5	-42.1	173.6	-49.7	0	0	0	0	111.5	I524 H532	I524-T528 PolarHBondContact O-N 3.06Å; I524-T528 PolarHBondContact O-OG1 2.88Å; T528-H532 WeakPolarHBondContact O-CB 3.24Å; T528-H532 PolarHBondContact O-N 3.45Å
529	R	92.8	Very high	91.8	Very high	168 Å²	168	100.4 Å²	100.4	63%	0.634	50%	0.501	S	S	*	.	H	α-helix	trans	-67.7	-34.4	175.7	-172.5	177.4	177.7	92.3	0.5	112.4	R525 L526 T527 L533	R525-R529 WeakPolarHBondContact O-CB 2.9Å; R525-R529 PolarHBondContact O-N 3.45Å; R525-R529 VanDerWaalsContact O-N 3.16Å; L526-R529 PolarHBondContact O-N 3.34Å; T527-R529 VanDerWaalsContact C-N 3.3Å; T527-R529 PolarHBondContact O-N 2.93Å; R529-L533 HydrophobicContact CG-CD1 4.02Å; R529-L533 HydrophobicContact CG-CG 4.42Å; R529-L533 WeakPolarHBondContact O-CB 3.14Å; R529-L533 VanDerWaalsContact O-CG 3.24Å; R529-L533 WeakPolarHBondContact O-CG 3.5Å; R529-L533 PolarHBondContact O-N 2.94Å
530	H	92.9	Very high	91.7	Very high	101 Å²	101	101.1 Å²	101.1	47%	0.468	51%	0.505	S	S	.	.	H	α-helix	trans	-64.3	-51.9	176.5	-178	-93.4	0	0	0	111.3	L526 T527 H532 L533 K534	L526-H530 WeakPolarHBondContact O-CB 3.36Å; L526-H530 PolarHBondContact O-N 3.25Å; T527-H530 WeakPolarHBondContact O-CB 3.43Å; T527-H530 PolarHBondContact O-N 2.94Å; T527-H530 VanDerWaalsContact O-N 3.09Å; H530-H532 VanDerWaalsContact C-N 3.34Å; H530-H532 PolarHBondContact O-N 3.03Å; H530-L533 PolarHBondContact O-N 3.18Å; H530-K534 VanDerWaalsContact O-CB 3.3Å; H530-K534 WeakPolarHBondContact O-CB 3.46Å; H530-K534 PolarHBondContact O-N 3.12Å
531	E	93.7	Very high	91.5	Very high	82 Å²	82	100.6 Å²	100.6	38%	0.383	51%	0.509	S	S	.	.	H	α-helix	trans	-67.1	-35	179.5	-63	-52.1	108	0	0	112.2	T527 K534 S535	T527-E531 PolarHBondContact O-N 2.7Å; E531-K534 PolarHBondContact O-N 3.44Å; E531-K534 IonicContact OE1-NZ 3.45Å; E531-K534 PolarHBondContact OE1-NZ 2.85Å; E531-K534 WeakPolarHBondContact OE2-CD 3.45Å; E531-K534 WeakPolarHBondContact OE2-CE 3.29Å; E531-K534 IonicContact OE2-NZ 2.68Å; E531-K534 PolarHBondContact OE2-NZ 2.98Å; E531-S535 WeakPolarHBondContact O-CB 3.4Å; E531-S535 PolarHBondContact O-N 3.21Å
532	H	93.1	Very high	91.2	Very high	122 Å²	122	103.1 Å²	103.1	57%	0.565	52%	0.515	S	S	*	.	H	α-helix	trans	-60.8	-47.6	170	179.9	-85.4	0	0	0	112.1	T528 H530 K534 S535 V536	T528-H532 WeakPolarHBondContact O-CB 3.24Å; T528-H532 PolarHBondContact O-N 3.45Å; H530-H532 VanDerWaalsContact C-N 3.34Å; H530-H532 PolarHBondContact O-N 3.03Å; H532-K534 VanDerWaalsContact C-N 3.35Å; H532-K534 PolarHBondContact O-N 2.99Å; H532-S535 PolarHBondContact O-N 3.19Å; H532-V536 WeakPolarHBondContact O-CG2 3.47Å; H532-V536 PolarHBondContact O-N 3Å
533	L	91.7	Very high	90.8	Very high	92 Å²	92	101.6 Å²	101.6	48%	0.482	52%	0.517	S	S	.	.	H	α-helix	trans	-64.6	-38.1	177.5	-75.5	169.5	0	0	0	112.3	R529 H530 V536 N537	R529-L533 HydrophobicContact CG-CD1 4.02Å; R529-L533 HydrophobicContact CG-CG 4.42Å; R529-L533 WeakPolarHBondContact O-CB 3.14Å; R529-L533 VanDerWaalsContact O-CG 3.24Å; R529-L533 WeakPolarHBondContact O-CG 3.5Å; R529-L533 PolarHBondContact O-N 2.94Å; H530-L533 PolarHBondContact O-N 3.18Å; L533-V536 PolarHBondContact O-N 3.38Å; L533-N537 VanDerWaalsContact O-CB 3.26Å; L533-N537 WeakPolarHBondContact O-CB 3.49Å; L533-N537 PolarHBondContact O-N 3.4Å
534	K	92.9	Very high	90.4	Very high	118 Å²	118	101.1 Å²	101.1	51%	0.513	51%	0.514	S	S	.	.	H	α-helix	trans	-63.9	-42.4	175.5	179.1	177.5	159.5	-157.7	0	111.8	H530 E531 H532 N537 A538	H530-K534 VanDerWaalsContact O-CB 3.3Å; H530-K534 WeakPolarHBondContact O-CB 3.46Å; H530-K534 PolarHBondContact O-N 3.12Å; E531-K534 PolarHBondContact O-N 3.44Å; E531-K534 IonicContact OE1-NZ 3.45Å; E531-K534 PolarHBondContact OE1-NZ 2.85Å; E531-K534 WeakPolarHBondContact OE2-CD 3.45Å; E531-K534 WeakPolarHBondContact OE2-CE 3.29Å; E531-K534 IonicContact OE2-NZ 2.68Å; E531-K534 PolarHBondContact OE2-NZ 2.98Å; H532-K534 VanDerWaalsContact C-N 3.35Å; H532-K534 PolarHBondContact O-N 2.99Å; K534-N537 PolarHBondContact O-N 3.12Å; K534-A538 PolarHBondContact O-N 3.06Å
535	S	93.1	Very high	89.9	Confident	68 Å²	68	98.2 Å²	98.2	48%	0.476	51%	0.506	S	S	.	.	H	α-helix	trans	-63.1	-47.5	172.8	178.2	0	0	0	0	112.3	E531 H532 N537 A538 R539	E531-S535 WeakPolarHBondContact O-CB 3.4Å; E531-S535 PolarHBondContact O-N 3.21Å; H532-S535 PolarHBondContact O-N 3.19Å; S535-N537 VanDerWaalsContact C-N 3.34Å; S535-N537 PolarHBondContact O-N 3.27Å; S535-A538 PolarHBondContact O-N 3.25Å; S535-R539 WeakPolarHBondContact O-CG 3.47Å; S535-R539 PolarHBondContact O-N 3.26Å
536	V	91.6	Very high	89.3	Confident	52 Å²	52	94.8 Å²	94.8	32%	0.315	50%	0.503	S	S	.	.	H	α-helix	trans	-61.2	-42.4	175.3	171.1	0	0	0	0	111.4	H532 L533 A538 R539 L540	H532-V536 WeakPolarHBondContact O-CG2 3.47Å; H532-V536 PolarHBondContact O-N 3Å; L533-V536 PolarHBondContact O-N 3.38Å; V536-A538 PolarHBondContact O-N 3.12Å; V536-R539 PolarHBondContact O-N 2.67Å; V536-L540 HydrophobicContact CG1-CD1 3.98Å; V536-L540 HydrophobicContact CG1-CG 4.41Å; V536-L540 WeakPolarHBondContact O-CG 3.48Å; V536-L540 PolarHBondContact O-N 3.01Å
537	N	91.2	Very high	88.6	Confident	102 Å²	102	95.1 Å²	95.1	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-63	-43.1	178.2	-165.3	65.3	0	0	0	111.7	L533 K534 S535 R539 L540 S541	L533-N537 VanDerWaalsContact O-CB 3.26Å; L533-N537 WeakPolarHBondContact O-CB 3.49Å; L533-N537 PolarHBondContact O-N 3.4Å; K534-N537 PolarHBondContact O-N 3.12Å; S535-N537 VanDerWaalsContact C-N 3.34Å; S535-N537 PolarHBondContact O-N 3.27Å; N537-R539 PolarHBondContact O-N 2.93Å; N537-L540 PolarHBondContact O-N 3.11Å; N537-S541 PolarHBondContact O-N 2.8Å; N537-S541 PolarHBondContact O-OG 2.76Å
538	A	90.6	Very high	87.9	Confident	47 Å²	47	97.2 Å²	97.2	39%	0.388	51%	0.508	S	S	.	.	H	α-helix	trans	-61.1	-42.4	174.4	0	0	0	0	0	112.4	K534 S535 V536 L540 S541 N542	K534-A538 PolarHBondContact O-N 3.06Å; S535-A538 PolarHBondContact O-N 3.25Å; V536-A538 PolarHBondContact O-N 3.12Å; A538-L540 VanDerWaalsContact C-N 3.35Å; A538-L540 PolarHBondContact O-N 3.04Å; A538-S541 PolarHBondContact O-N 2.69Å; A538-N542 WeakPolarHBondContact O-CB 3.43Å; A538-N542 VanDerWaalsContact O-CG 3.24Å; A538-N542 PolarHBondContact O-N 2.94Å; A538-N542 PolarHBondContact O-OD1 3.37Å
539	R	90.4	Very high	86.8	Confident	177 Å²	177	96.2 Å²	96.2	67%	0.668	50%	0.504	S	S	*	.	H	α-helix	trans	-62.2	-39.8	175.4	-70.9	176.3	66	-170.2	0.7	112.6	S535 V536 N537 S543	S535-R539 WeakPolarHBondContact O-CG 3.47Å; S535-R539 PolarHBondContact O-N 3.26Å; V536-R539 PolarHBondContact O-N 2.67Å; N537-R539 PolarHBondContact O-N 2.93Å; R539-S543 WeakPolarHBondContact O-CB 3.45Å; R539-S543 PolarHBondContact O-N 3.1Å; R539-S543 VanDerWaalsContact O-N 3.08Å; R539-S543 PolarHBondContact O-OG 3.12Å
540	L	88.3	Confident	85.5	Confident	109 Å²	109	92.4 Å²	92.4	57%	0.571	50%	0.5	S	S	*	.	H	α-helix	trans	-68.7	-44.7	177.1	-69.8	172.1	0	0	0	111.7	V536 N537 A538 N542 S543 L544	V536-L540 HydrophobicContact CG1-CD1 3.98Å; V536-L540 HydrophobicContact CG1-CG 4.41Å; V536-L540 WeakPolarHBondContact O-CG 3.48Å; V536-L540 PolarHBondContact O-N 3.01Å; N537-L540 PolarHBondContact O-N 3.11Å; A538-L540 VanDerWaalsContact C-N 3.35Å; A538-L540 PolarHBondContact O-N 3.04Å; L540-N542 PolarHBondContact O-N 3.37Å; L540-S543 PolarHBondContact O-N 2.96Å; L540-L544 WeakPolarHBondContact O-CB 2.84Å; L540-L544 PolarHBondContact O-N 2.76Å
541	S	86.1	Confident	83.9	Confident	62 Å²	62	94.8 Å²	94.8	43%	0.434	51%	0.513	S	S	.	.	H	α-helix	trans	-59.3	-44.7	174.8	-63.7	0	0	0	0	112.3	N537 A538 S543 L544 A545	N537-S541 PolarHBondContact O-N 2.8Å; N537-S541 PolarHBondContact O-OG 2.76Å; A538-S541 PolarHBondContact O-N 2.69Å; S541-S543 VanDerWaalsContact C-N 3.35Å; S541-S543 PolarHBondContact O-N 2.95Å; S541-L544 PolarHBondContact O-N 3.02Å; S541-A545 PolarHBondContact O-N 3.23Å
542	N	85.2	Confident	82.3	Confident	112 Å²	112	96.8 Å²	96.8	60%	0.599	53%	0.53	S	S	*	.	H	α-helix	trans	-64.4	-39.5	178.2	-69.6	6.7	0	0	0	111.9	A538 L540 T546	A538-N542 WeakPolarHBondContact O-CB 3.43Å; A538-N542 VanDerWaalsContact O-CG 3.24Å; A538-N542 PolarHBondContact O-N 2.94Å; A538-N542 PolarHBondContact O-OD1 3.37Å; L540-N542 PolarHBondContact O-N 3.37Å; N542-T546 WeakPolarHBondContact O-CB 3.29Å; N542-T546 PolarHBondContact O-N 2.98Å; N542-T546 PolarHBondContact O-OG1 2.76Å
543	S	82.7	Confident	80.5	Confident	69 Å²	69	97.3 Å²	97.3	48%	0.483	54%	0.536	S	S	.	.	H	α-helix	trans	-65.1	-41.2	175.1	-56.2	0	0	0	0	111.9	R539 L540 S541 T546 M547	R539-S543 WeakPolarHBondContact O-CB 3.45Å; R539-S543 PolarHBondContact O-N 3.1Å; R539-S543 VanDerWaalsContact O-N 3.08Å; R539-S543 PolarHBondContact O-OG 3.12Å; L540-S543 PolarHBondContact O-N 2.96Å; S541-S543 VanDerWaalsContact C-N 3.35Å; S541-S543 PolarHBondContact O-N 2.95Å; S543-T546 PolarHBondContact O-N 2.76Å; S543-M547 WeakPolarHBondContact O-CG 3.25Å; S543-M547 PolarHBondContact O-N 2.84Å
544	L	83.1	Confident	78.4	Confident	100 Å²	100	99.4 Å²	99.4	52%	0.524	55%	0.548	S	S	.	.	H	α-helix	trans	-65.3	-47.5	178.4	-173.7	62.3	0	0	0	111.5	L540 S541 T546 M547 E548	L540-L544 WeakPolarHBondContact O-CB 2.84Å; L540-L544 PolarHBondContact O-N 2.76Å; S541-L544 PolarHBondContact O-N 3.02Å; L544-T546 PolarHBondContact O-N 2.78Å; L544-M547 WeakPolarHBondContact O-CB 3.33Å; L544-M547 PolarHBondContact O-N 2.68Å; L544-E548 WeakPolarHBondContact O-CG 3.43Å; L544-E548 PolarHBondContact O-N 2.83Å
545	A	82	Confident	75.8	Confident	46 Å²	46	99 Å²	99	38%	0.38	56%	0.559	S	S	.	*	H	α-helix	trans	-61.4	-32.7	175.6	0	0	0	0	0	112.6	S541 S549	S541-A545 PolarHBondContact O-N 3.23Å; A545-S549 WeakPolarHBondContact O-CB 3.25Å; A545-S549 PolarHBondContact O-N 3.13Å; A545-S549 PolarHBondContact O-OG 3.1Å
546	T	80	Confident	73.4	Confident	86 Å²	86	102.1 Å²	102.1	53%	0.528	58%	0.579	S	S	.	*	H	α-helix	trans	-68	-41.9	173.3	-54.2	0	0	0	0	111.3	N542 S543 L544 S549 T550	N542-T546 WeakPolarHBondContact O-CB 3.29Å; N542-T546 PolarHBondContact O-N 2.98Å; N542-T546 PolarHBondContact O-OG1 2.76Å; S543-T546 PolarHBondContact O-N 2.76Å; L544-T546 PolarHBondContact O-N 2.78Å; T546-S549 PolarHBondContact O-N 3.44Å; T546-T550 WeakPolarHBondContact O-CB 3Å; T546-T550 PolarHBondContact O-N 3.33Å; T546-T550 PolarHBondContact O-OG1 3.41Å
547	M	73	Confident	70.7	Confident	114 Å²	114	109.4 Å²	109.4	56%	0.562	61%	0.606	S	S	*	*	H	α-helix	trans	-65.1	-44.4	175.6	-72.5	-179.3	64.4	0	0	112.3	S543 L544 T550 M551	S543-M547 WeakPolarHBondContact O-CG 3.25Å; S543-M547 PolarHBondContact O-N 2.84Å; L544-M547 WeakPolarHBondContact O-CB 3.33Å; L544-M547 PolarHBondContact O-N 2.68Å; M547-T550 PolarHBondContact O-N 2.58Å; M547-M551 WeakPolarHBondContact O-CG 3.4Å; M547-M551 PolarHBondContact O-N 3.35Å
548	E	77.1	Confident	68.1	Low	120 Å²	120	113 Å²	113	56%	0.561	62%	0.619	S	S	*	*	H	α-helix	trans	-59.3	-47.3	175.1	-71.2	176.2	159.7	0	0	111	L544 T550 M551 V552	L544-E548 WeakPolarHBondContact O-CG 3.43Å; L544-E548 PolarHBondContact O-N 2.83Å; E548-T550 VanDerWaalsContact C-N 3.29Å; E548-T550 PolarHBondContact O-N 3.11Å; E548-M551 PolarHBondContact O-N 3.46Å; E548-V552 WeakPolarHBondContact O-CG2 3.3Å; E548-V552 PolarHBondContact O-N 2.75Å
549	S	71.3	Confident	65.3	Low	74 Å²	74	119 Å²	119	52%	0.517	64%	0.639	S	S	.	*	H	α-helix	trans	-59.6	-38.4	176.1	-58	0	0	0	0	112.6	A545 T546 V552	A545-S549 WeakPolarHBondContact O-CB 3.25Å; A545-S549 PolarHBondContact O-N 3.13Å; A545-S549 PolarHBondContact O-OG 3.1Å; T546-S549 PolarHBondContact O-N 3.44Å; S549-V552 PolarHBondContact O-N 3.4Å
550	T	65.5	Low	62.9	Low	87 Å²	87	118 Å²	118	53%	0.534	65%	0.645	S	S	.	*	H	α-helix	trans	-71.8	-32.7	-179.5	-52.8	0	0	0	0	112.1	T546 M547 E548 V552	T546-T550 WeakPolarHBondContact O-CB 3Å; T546-T550 PolarHBondContact O-N 3.33Å; T546-T550 PolarHBondContact O-OG1 3.41Å; M547-T550 PolarHBondContact O-N 2.58Å; E548-T550 VanDerWaalsContact C-N 3.29Å; E548-T550 PolarHBondContact O-N 3.11Å; T550-V552 VanDerWaalsContact C-N 3.3Å; T550-V552 PolarHBondContact O-N 3.24Å
551	M	59	Low	60.4	Low	151 Å²	151	117.9 Å²	117.9	74%	0.744	65%	0.653	S	S	*	*	H	α-helix	trans	-72.2	-18.8	178.4	-74.3	-171.3	173.7	0	0	114.1	M547 E548	M547-M551 WeakPolarHBondContact O-CG 3.4Å; M547-M551 PolarHBondContact O-N 3.35Å; E548-M551 PolarHBondContact O-N 3.46Å
552	V	59.8	Low	58.1	Low	124 Å²	124	121.1 Å²	121.1	75%	0.752	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-17.3	-178.4	175.4	0	0	0	0	113.2	E548 S549 T550	E548-V552 WeakPolarHBondContact O-CG2 3.3Å; E548-V552 PolarHBondContact O-N 2.75Å; S549-V552 PolarHBondContact O-N 3.4Å; T550-V552 VanDerWaalsContact C-N 3.3Å; T550-V552 PolarHBondContact O-N 3.24Å
553	I	56.8	Low	55.8	Low	133 Å²	133	124.8 Å²	124.8	68%	0.682	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-25.7	-170	-65.3	173.1	0	0	0	113.3	S555	I553-S555 PolarHBondContact O-N 3.37Å
554	N	46.3	Very low	53.6	Low	137 Å²	137	128.4 Å²	128.4	73%	0.733	68%	0.681	S	S	*	*			trans	-98.9	78.7	-175	-79.7	-3.9	0	0	0	113.6
555	S	39.6	Very low	51.4	Low	108 Å²	108	128 Å²	128	76%	0.755	69%	0.687	S	S	*	*			trans	-155.6	115.4	157.1	-80.2	0	0	0	0	111	I553	I553-S555 PolarHBondContact O-N 3.37Å
556	P	42.5	Very low	49.4	Very low	135 Å²	135	132.2 Å²	132.2	88%	0.877	71%	0.708	S	S	*	*			trans	-72.4	141.1	179.2	30	-33.9	0	0	0	111.3
557	K	34.5	Very low	47.4	Very low	204 Å²	204	132.3 Å²	132.3	89%	0.887	72%	0.718	S	S	*	*			trans	-75.9	142.1	174.3	-61.2	179.9	-178.6	-179.8	0	110.5
558	H	37.3	Very low	45.8	Very low	178 Å²	178	132.6 Å²	132.6	82%	0.824	73%	0.726	S	S	*	*			trans	-139.5	130	157.7	-145.8	-70.3	0	0	0	109.2
559	E	30.4	Very low	44.1	Very low	174 Å²	174	133.2 Å²	133.2	81%	0.813	73%	0.733	S	S	*	*			trans	-93.6	179.7	176.3	-65.1	179.2	122.9	0	0	111
560	I	39.8	Very low	42.6	Very low	155 Å²	155	136.4 Å²	136.4	80%	0.795	74%	0.744	S	S	*	*			trans	107.6	89.6	-164.7	-62.5	155.1	0	0	0	108.4
561	S	37.2	Very low	41.3	Very low	106 Å²	106	139 Å²	139	74%	0.741	75%	0.753	S	S	*	*			cis	85	138.8	44.8	-155	0	0	0	0	114.5
562	E	36.9	Very low	40.4	Very low	130 Å²	130	136.6 Å²	136.6	61%	0.607	75%	0.748	S	S	*	*			trans	78.7	93.8	166.5	-60.2	-92.1	139.7	0	0	121
563	R	37.9	Very low	39.5	Very low	189 Å²	189	139.8 Å²	139.8	71%	0.713	75%	0.752	S	S	*	*				73.6	133.5	121.5	-70.1	-176.5	178	121.4	8.2	124
564	N	35.9	Very low	38.6	Very low	145 Å²	145	142.6 Å²	142.6	78%	0.775	76%	0.759	S	S	*	*			trans	73.5	145.4	145.6	-59.1	-7.9	0	0	0	120.5
565	S	37.6	Very low	38.3	Very low	93 Å²	93	140.1 Å²	140.1	65%	0.65	75%	0.752	S	S	*	*			cis	-170.6	155.2	-24.5	49.6	0	0	0	0	112.9
566	T	38.5	Very low	38.1	Very low	134 Å²	134	140.4 Å²	140.4	82%	0.822	75%	0.745	S	S	*	*			trans	71.3	144.6	151.6	38.8	0	0	0	0	123.7
567	A	38.3	Very low	37.8	Very low	88 Å²	88	141.8 Å²	141.8	73%	0.727	74%	0.74	S	S	*	*			trans	80.9	139.6	149.6	0	0	0	0	0	120.8
568	V	40.6	Very low	37.8	Very low	120 Å²	120	141 Å²	141	73%	0.727	74%	0.739	S	S	*	*			cis	-156.4	138.5	-23	-94.6	0	0	0	0	112.3
569	N	41.1	Very low	37.5	Very low	133 Å²	133	141.2 Å²	141.2	71%	0.711	74%	0.738	S	S	*	*			trans	54.8	144.2	135.8	-53.4	-11.2	0	0	0	125
570	N	39	Very low	37.7	Very low	141 Å²	141	136.9 Å²	136.9	75%	0.754	73%	0.731	S	S	*	*			trans	81.2	143.2	147.4	-65.3	-16.6	0	0	0	121.4
571	L	39.3	Very low	37.3	Very low	140 Å²	140	140.3 Å²	140.3	73%	0.733	74%	0.736	S	S	*	*			cis	-164.5	148.2	-25.8	-158.1	62.6	0	0	0	113.3
572	T	39.7	Very low	37.2	Very low	101 Å²	101	141.4 Å²	141.4	62%	0.62	74%	0.74	S	S	*	*			trans	67.4	106.9	152	33.8	0	0	0	0	125.1
573	K	40.7	Very low	36.9	Very low	192 Å²	192	142.9 Å²	142.9	84%	0.835	75%	0.752	S	S	*	*				52.2	115.9	117.4	-61.1	-179.8	-169.7	172.2	0	122
574	K	38	Very low	36.6	Very low	192 Å²	192	140.7 Å²	140.7	84%	0.835	75%	0.754	S	S	*	*				-178.4	120.2	99.9	-98.1	-170.5	177.4	178.1	0	109.8
575	S	38.7	Very low	36.6	Very low	84 Å²	84	140.3 Å²	140.3	59%	0.587	76%	0.757	S	S	*	*				68.5	123.5	80.5	82.5	0	0	0	0	113
576	N	35.8	Very low	36.4	Very low	115 Å²	115	142.9 Å²	142.9	62%	0.615	76%	0.764	S	S	*	*			cis	-151.8	-175.2	3.3	-78	-33.1	0	0	0	107.5
577	H	36	Very low	36.2	Very low	164 Å²	164	143.5 Å²	143.5	76%	0.759	77%	0.768	S	S	*	*			cis	-141	140	9.1	-75.8	-95.8	0	0	0	111.5
578	H	35.2	Very low	35.9	Very low	187 Å²	187	144.8 Å²	144.8	87%	0.866	77%	0.766	S	S	*	*			trans	-157.9	125.2	149.2	-138.3	-53.8	0	0	0	105.5
579	F	31.6	Very low	35.8	Very low	183 Å²	183	147.1 Å²	147.1	80%	0.803	77%	0.773	S	S	*	*			trans	-136	136.6	-179.6	-102.1	-82.7	0	0	0	111.8
580	A	34.4	Very low	35.5	Very low	82 Å²	82	145.8 Å²	145.8	68%	0.678	77%	0.77	S	S	*	*			trans	-106.5	-178.7	174	0	0	0	0	0	110.5
581	Y	30.9	Very low	35.5	Very low	227 Å²	227	144.6 Å²	144.6	89%	0.89	77%	0.773	S	S	*	*			trans	-51	147.3	176.3	-53.2	-93.7	0	0	0	114.4
582	P	36.1	Very low	35.3	Very low	129 Å²	129	144.6 Å²	144.6	84%	0.838	77%	0.773	S	S	*	*			trans	-92.8	141	145.8	-2.5	22.5	0	0	0	110.7
583	L	30.7	Very low	35.1	Very low	161 Å²	161	147.9 Å²	147.9	84%	0.843	79%	0.785	S	S	*	*			trans	-106.7	140.3	164.2	178.9	74.1	0	0	0	107.7
584	D	31.1	Very low	34.9	Very low	144 Å²	144	144.8 Å²	144.8	77%	0.77	78%	0.783	S	S	*	*			trans	-175.6	130.5	153.1	-92.6	-32.8	0	0	0	107.1
585	T	35.9	Very low	34.5	Very low	137 Å²	137	141.6 Å²	141.6	84%	0.84	78%	0.78	S	S	*	*				-168.5	161.6	77.7	26.3	0	0	0	0	111.3
586	N	32.2	Very low	34.3	Very low	146 Å²	146	144.5 Å²	144.5	78%	0.781	79%	0.794	S	S	*	*			trans	-83.4	146.4	-171.7	-53.5	-64.7	0	0	0	115.1
587	T	36	Very low	34.1	Very low	148 Å²	148	145.2 Å²	145.2	91%	0.908	80%	0.803	S	S	*	*			trans	-145.7	138.8	141.6	-23	0	0	0	0	111.2
588	T	31.8	Very low	34.1	Very low	114 Å²	114	147.1 Å²	147.1	70%	0.699	81%	0.812	S	S	*	*			trans	-110.7	131.2	-173.6	-52.7	0	0	0	0	111.8
589	I	38	Very low	33.8	Very low	169 Å²	169	143.3 Å²	143.3	87%	0.867	81%	0.806	S	S	*	*			trans	-138.4	137.2	154.2	-61.9	-174.4	0	0	0	108
590	T	33.8	Very low	34.1	Very low	106 Å²	106	139.6 Å²	139.6	65%	0.65	80%	0.803	S	S	*	*			trans	-120.3	133.9	-173.2	-51.3	0	0	0	0	110.7
591	S	39.4	Very low	34.2	Very low	116 Å²	116	144 Å²	144	81%	0.811	81%	0.81	S	S	*	*			trans	-144.6	129.1	164.9	-67.7	0	0	0	0	110.1
592	N	35.8	Very low	34.1	Very low	139 Å²	139	141 Å²	141	74%	0.743	81%	0.805	S	S	*	*			trans	-76.3	168.3	176.6	-52.3	-34.6	0	0	0	110.2
593	I	36.2	Very low	33.9	Very low	170 Å²	170	139.1 Å²	139.1	87%	0.872	80%	0.796	S	S	*	*				-161.6	156.6	82.1	-88.5	161.5	0	0	0	111.3
594	T	35.1	Very low	33.7	Very low	127 Å²	127	137.8 Å²	137.8	78%	0.779	79%	0.794	S	S	*	*			trans	-76.5	159	-166.4	-42.5	0	0	0	0	115.8
595	T	29.2	Very low	33.5	Very low	126 Å²	126	137.5 Å²	137.5	77%	0.773	79%	0.791	S	S	*	*			trans	-66.4	148.2	171.9	48.2	0	0	0	0	114.7
596	T	34.3	Very low	33.2	Very low	145 Å²	145	138.9 Å²	138.9	89%	0.89	79%	0.793	S	S	*	*			trans	-142.9	144.5	145.1	40.9	0	0	0	0	109.9
597	T	32.5	Very low	33.2	Very low	130 Å²	130	139.3 Å²	139.3	80%	0.798	79%	0.79	S	S	*	*			trans	-102	143.1	-179.9	42.6	0	0	0	0	111.7
598	Q	36.2	Very low	32.9	Very low	204 Å²	204	137 Å²	137	95%	0.953	78%	0.78	S	S	*	*			trans	-161.6	156.4	147.1	-116.1	156	100.7	0	0	111.5
599	S	29.8	Very low	33	Very low	106 Å²	106	139.3 Å²	139.3	74%	0.741	79%	0.786	S	S	*	*			trans	-108.5	143.5	-168.1	53.6	0	0	0	0	112.8
600	S	36.3	Very low	32.5	Very low	106 Å²	106	138.1 Å²	138.1	74%	0.741	78%	0.782	S	S	*	*			trans	-169.5	125.9	135.1	-86	0	0	0	0	114
601	Q	36.3	Very low	32.7	Very low	175 Å²	175	138.1 Å²	138.1	82%	0.818	78%	0.783	S	S	*	*			trans	44.2	127.8	131	-56.1	-173.5	9.5	0	0	122.3
602	M	29.3	Very low	32.3	Very low	162 Å²	162	141.4 Å²	141.4	80%	0.798	79%	0.786	S	S	*	*			trans	79.7	126	137.6	-64.3	-90.8	71.5	0	0	122.1
603	S	31.5	Very low	31.9	Very low	91 Å²	91	138.6 Å²	138.6	64%	0.636	78%	0.777	S	S	*	*			trans	75	102.1	137.3	-58.2	0	0	0	0	121.8
604	T	28.1	Very low	31.8	Very low	132 Å²	132	138.6 Å²	138.6	81%	0.81	77%	0.773	S	S	*	*				43.5	141.3	119	-25.1	0	0	0	0	121.9
605	I	26.7	Very low	31.4	Very low	138 Å²	138	140.2 Å²	140.2	71%	0.708	77%	0.772	S	S	*	*			trans	80.3	87.6	165.8	-41	178.9	0	0	0	116.6
606	L	28.9	Very low	31.4	Very low	166 Å²	166	141.5 Å²	141.5	87%	0.869	77%	0.773	S	S	*	*			trans	-153	151.9	149.3	-74	-176.1	0	0	0	109.2
607	H	33.1	Very low	31.2	Very low	155 Å²	155	141.4 Å²	141.4	72%	0.718	76%	0.763	S	S	*	*			cis	-164	153.5	-42.5	-136	-98.5	0	0	0	107.3
608	S	29.5	Very low	31.1	Very low	101 Å²	101	142.2 Å²	142.2	71%	0.706	76%	0.761	S	S	*	*			trans	-70.1	150.5	173.5	-58.1	0	0	0	0	111.9
609	I	33	Very low	31	Very low	161 Å²	161	137.1 Å²	137.1	83%	0.826	75%	0.746	S	S	*	*			trans	-129.4	97.2	166.4	-57.1	179.1	0	0	0	108.3
610	D	28.5	Very low	31.2	Very low	145 Å²	145	138.7 Å²	138.7	78%	0.775	75%	0.746	S	S	*	*			trans	-91.7	149.8	163.2	-61.8	-63.5	0	0	0	109.6
611	P	36.1	Very low	30.8	Very low	106 Å²	106	139.3 Å²	139.3	69%	0.688	74%	0.741	S	S	*	*			trans	-117.5	115.7	158.9	33.7	-22.1	0	0	0	112.3
612	E	31.9	Very low	30.7	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	74%	0.743	S	S	*	*			trans	56.3	147.8	134	-57.6	-179.8	126.6	0	0	121.4
613	S	27.8	Very low	30.6	Very low	80 Å²	80	134.5 Å²	134.5	56%	0.559	73%	0.733	S	S	*	*			cis	-166.3	-159.9	-23.3	68.5	0	0	0	0	108.4
614	H	33.2	Very low	30.8	Very low	171 Å²	171	139.6 Å²	139.6	79%	0.792	74%	0.743	S	S	*	*			trans	68.7	88.8	-179.5	-46.8	-64.3	0	0	0	114.7
615	Q	27.3	Very low	30.7	Very low	161 Å²	161	140 Å²	140	75%	0.752	74%	0.741	S	S	*	*				81.2	110.8	52.6	-168.3	-172.3	92.5	0	0	114.2
616	L	29.9	Very low	31	Very low	152 Å²	152	138.8 Å²	138.8	80%	0.796	74%	0.744	S	S	*	*			trans	162.3	102.1	144.9	-88.1	162.5	0	0	0	106.3
617	Q	28.5	Very low	31.1	Very low	143 Å²	143	135.7 Å²	135.7	67%	0.668	74%	0.736	S	S	*	*				56.8	130.5	71.7	-75.9	-177.1	-71.8	0	0	112.8
618	L	31.7	Very low	31	Very low	147 Å²	147	135.6 Å²	135.6	77%	0.77	74%	0.741	S	S	*	*			cis	-148.4	-170.1	20	-108.9	156.4	0	0	0	110.2
619	P	34.7	Very low	30.7	Very low	97 Å²	97	139.6 Å²	139.6	63%	0.63	75%	0.749	S	S	*	*			trans	-131.1	-137.1	-134.1	47.2	-26.7	0	0	0	115
620	D	33.6	Very low	30.7	Very low	139 Å²	139	137 Å²	137	74%	0.743	74%	0.743	S	S	*	*			trans	86.2	139	168.6	-64.7	-51.6	0	0	0	118.9
621	N	27.4	Very low	30.8	Very low	119 Å²	119	136.3 Å²	136.3	64%	0.636	74%	0.743	S	S	*	*			cis	146	99.4	-18.2	166.6	22.2	0	0	0	108.3
622	V	34.2	Very low	30.3	Very low	143 Å²	143	137.9 Å²	137.9	87%	0.867	75%	0.751	S	S	*	*			trans	-143.3	121.3	156.7	-176.8	0	0	0	0	109.9
623	T	27.2	Very low	30.3	Very low	94 Å²	94	136.6 Å²	136.6	58%	0.577	75%	0.749	S	S	*	*			trans	-98.3	147.3	-179.4	-41.2	0	0	0	0	112.8
624	K	35.1	Very low	30.2	Very low	197 Å²	197	139.9 Å²	139.9	86%	0.857	76%	0.759	S	S	*	*			trans	-171.2	106.7	147.9	-98.9	143.8	-173.9	177	0	108.8
625	N	27.2	Very low	30.1	Very low	142 Å²	142	137.8 Å²	137.8	76%	0.759	75%	0.754	S	S	*	*				80	89.7	65.7	-78.8	10.6	0	0	0	115.6
626	S	33.3	Very low	30	Very low	112 Å²	112	135.8 Å²	135.8	78%	0.783	75%	0.749	S	S	*	*			trans	177.4	105.1	138.8	48.9	0	0	0	0	108.3
627	S	30.1	Very low	30.1	Very low	100 Å²	100	137.5 Å²	137.5	70%	0.699	75%	0.746	S	S	*	*				95	129	50.1	69.5	0	0	0	0	113.7
628	N	30.6	Very low	30.1	Very low	154 Å²	154	137.1 Å²	137.1	82%	0.824	75%	0.748	S	S	*	*			trans	90	88.4	158.9	-52.7	-9.2	0	0	0	119.8
629	Q	24.1	Very low	30	Very low	185 Å²	185	137.4 Å²	137.4	86%	0.864	75%	0.751	S	S	*	*			trans	-64.3	-174	130	-86	-174.1	-0.9	0	0	111.2
630	P	33.4	Very low	30.1	Very low	107 Å²	107	138.5 Å²	138.5	70%	0.695	76%	0.758	S	S	*	*			cis	-131.5	165.3	-35.7	32.7	-16.9	0	0	0	112.8
631	V	30.3	Very low	30.1	Very low	130 Å²	130	136.2 Å²	136.2	79%	0.788	75%	0.753	S	S	*	*			trans	-142.9	132.3	158.6	-178.4	0	0	0	0	111.2	L633	V631-L633 HydrophobicContact CG1-CD1 4.44Å; V631-L633 HydrophobicContact CG1-CG 4.14Å
632	T	24.4	Very low	30.2	Very low	138 Å²	138	136.2 Å²	136.2	85%	0.847	76%	0.762	S	S	*	*			trans	-98.9	132	162.6	-54.1	0	0	0	0	108.5
633	L	32.5	Very low	30.1	Very low	157 Å²	157	132.8 Å²	132.8	82%	0.822	75%	0.749	S	S	*	*			trans	-132.4	138.5	166.9	-91.6	174.2	0	0	0	112	V631	V631-L633 HydrophobicContact CG1-CD1 4.44Å; V631-L633 HydrophobicContact CG1-CG 4.14Å
634	L	25.2	Very low	30.3	Very low	149 Å²	149	137.1 Å²	137.1	78%	0.78	76%	0.76	S	S	*	*			trans	-90.1	-173.1	176.3	-159.2	69.7	0	0	0	109.5
635	N	30.4	Very low	30.2	Very low	127 Å²	127	135.5 Å²	135.5	68%	0.679	76%	0.755	S	S	*	*			trans	84.9	151.7	167	-57.1	-23.7	0	0	0	116.5
636	N	26.7	Very low	30.3	Very low	119 Å²	119	132.7 Å²	132.7	64%	0.636	75%	0.746	S	S	*	*			cis	-177.3	160.6	-37.6	-113.8	-30.3	0	0	0	108.5
637	Y	30.7	Very low	30.2	Very low	189 Å²	189	133.2 Å²	133.2	74%	0.741	75%	0.745	S	S	*	*			trans	72.1	111.1	148.1	-82.3	-139.2	0	0	0	121.8
638	N	29.5	Very low	30.3	Very low	134 Å²	134	133.2 Å²	133.2	72%	0.717	74%	0.737	S	S	*	*				75.2	146.2	116.9	-58.7	5.8	0	0	0	123.6
639	D	30.2	Very low	30.5	Very low	153 Å²	153	135.4 Å²	135.4	82%	0.818	73%	0.734	S	S	*	*			trans	-71.3	163.5	175	-53.1	-90.2	0	0	0	115.9
640	P	36.1	Very low	30.8	Very low	120 Å²	120	133.3 Å²	133.3	78%	0.779	73%	0.728	S	S	*	*			trans	-114.9	103.3	136.1	33.5	-22	0	0	0	110.1
641	S	33.3	Very low	30.9	Very low	92 Å²	92	137.8 Å²	137.8	64%	0.643	74%	0.737	S	S	*	*				69.2	108	74.2	79	0	0	0	0	116.6
642	S	29.3	Very low	31.1	Very low	119 Å²	119	140.2 Å²	140.2	83%	0.832	74%	0.737	S	S	*	*			trans	60.9	148.7	150.3	74.4	0	0	0	0	118.9
643	A	32.2	Very low	31.4	Very low	70 Å²	70	139.4 Å²	139.4	58%	0.579	73%	0.731	S	S	*	*			cis	-176.6	144.4	43.8	0	0	0	0	0	113.2
644	K	31.7	Very low	31.5	Very low	186 Å²	186	137 Å²	137	81%	0.809	73%	0.725	S	S	*	*			trans	63.3	165	151.6	-56.2	161.1	-172.3	178.3	0	116.5
645	H	32.5	Very low	31.8	Very low	163 Å²	163	136.9 Å²	136.9	76%	0.755	72%	0.724	S	S	*	*			cis	-132.3	132.7	-7	-106.4	-71.6	0	0	0	105.9
646	S	30.3	Very low	31.7	Very low	82 Å²	82	138.1 Å²	138.1	57%	0.573	73%	0.73	S	S	*	*				81.2	127.8	81.4	-169.9	0	0	0	0	115.6
647	T	31.2	Very low	32.2	Very low	123 Å²	123	138 Å²	138	76%	0.755	74%	0.735	S	S	*	*			trans	65.3	153.5	151.3	43.1	0	0	0	0	118.1
648	D	31.4	Very low	32.1	Very low	100 Å²	100	137.5 Å²	137.5	54%	0.535	74%	0.737	S	S	.	*			cis	-154.3	166.4	-1.3	-146.7	-15.5	0	0	0	113.1
649	R	34.8	Very low	32.1	Very low	201 Å²	201	136.5 Å²	136.5	76%	0.758	73%	0.732	S	S	*	*			trans	71.8	128.1	158.2	-67.9	143.8	-149.5	-158.5	7.6	118.9
650	N	31.1	Very low	32.1	Very low	140 Å²	140	138.4 Å²	138.4	75%	0.749	73%	0.729	S	S	*	*			cis	71.4	87.1	48.7	-69.8	-42.9	0	0	0	115.5
651	K	35.3	Very low	32	Very low	201 Å²	201	137.4 Å²	137.4	87%	0.874	72%	0.721	S	S	*	*				-173.9	121.4	126.6	-97.2	149.1	-170.9	177.5	0	109
652	K	34.9	Very low	31.6	Very low	181 Å²	181	139.3 Å²	139.3	79%	0.787	73%	0.729	S	S	*	*				88.3	101.3	79.5	-166.8	-179.1	-178	-172.7	0	109.5
653	V	30.7	Very low	31.6	Very low	122 Å²	122	140 Å²	140	74%	0.739	73%	0.728	S	S	*	*				68.7	136.6	63	176.3	0	0	0	0	112.4
654	P	33.8	Very low	31.2	Very low	106 Å²	106	142.4 Å²	142.4	69%	0.688	74%	0.739	S	S	*	*			cis	-108.7	-157.3	-28.8	27.7	-6.9	0	0	0	110.2
655	I	32.3	Very low	31.1	Very low	146 Å²	146	139 Å²	139	75%	0.749	74%	0.739	S	S	*	*				-169.2	119.5	65.4	-78.3	165.2	0	0	0	105.8
656	L	27.5	Very low	30.9	Very low	154 Å²	154	138.6 Å²	138.6	81%	0.806	74%	0.742	S	S	*	*				65.2	127.9	92.7	-121.9	75.8	0	0	0	114.9
657	P	36.6	Very low	31	Very low	116 Å²	116	139.1 Å²	139.1	75%	0.753	75%	0.746	S	S	*	*			trans	-85.5	-179.6	179.4	38.7	-37.5	0	0	0	111.5
658	K	29.7	Very low	31	Very low	179 Å²	179	140 Å²	140	78%	0.778	75%	0.746	S	S	*	*			trans	-173.8	142.4	151.7	-104.7	175.9	177	-170.2	0	112.4
659	D	30.3	Very low	31	Very low	113 Å²	113	142.7 Å²	142.7	60%	0.604	76%	0.76	S	S	*	*			trans	66.2	153.6	130.1	-55.4	-10.9	0	0	0	120.8
660	Y	30	Very low	30.8	Very low	192 Å²	192	140.7 Å²	140.7	75%	0.753	76%	0.756	S	S	*	*			cis	-155.2	163.8	-5.7	-131.8	-145.7	0	0	0	113.5
661	T	32.2	Very low	31	Very low	100 Å²	100	141 Å²	141	61%	0.613	75%	0.753	S	S	*	*			trans	16.5	133.3	150.5	59.1	0	0	0	0	123.5
662	T	26.1	Very low	30.8	Very low	132 Å²	132	137.7 Å²	137.7	81%	0.81	75%	0.745	S	S	*	*			trans	-32.8	133.4	138.5	-45.4	0	0	0	0	115.5
663	T	30.1	Very low	30.9	Very low	134 Å²	134	133.6 Å²	133.6	82%	0.822	74%	0.739	S	S	*	*			trans	-175.2	162.2	130.1	17.2	0	0	0	0	112
664	C	22.7	Very low	31	Very low	120 Å²	120	133.1 Å²	133.1	81%	0.811	74%	0.736	S	S	*	*			trans	-86.7	144.8	178.5	-52.4	0	0	0	0	111.7
665	S	30.6	Very low	31	Very low	115 Å²	115	134.4 Å²	134.4	80%	0.804	74%	0.737	S	S	*	*				170.4	131.8	115.4	-75.4	0	0	0	0	114
666	N	27.3	Very low	31.1	Very low	153 Å²	153	135 Å²	135	82%	0.818	74%	0.741	S	S	*	*			trans	26.5	149.1	147.1	-71.5	-5	0	0	0	124.6
667	S	32.9	Very low	31.4	Very low	94 Å²	94	134.7 Å²	134.7	66%	0.657	74%	0.737	S	S	*	*			trans	85.7	98.4	137.1	52.2	0	0	0	0	121.7
668	N	30	Very low	31.3	Very low	142 Å²	142	134.4 Å²	134.4	76%	0.759	73%	0.73	S	S	*	*				88.7	146.4	113.6	-66.5	-18.9	0	0	0	121.6
669	L	32.3	Very low	31.4	Very low	156 Å²	156	131.8 Å²	131.8	82%	0.817	72%	0.724	S	S	*	*			trans	72.2	150.1	161	-59.7	132.8	0	0	0	117.4
670	K	30.8	Very low	31.4	Very low	158 Å²	158	134.4 Å²	134.4	69%	0.687	74%	0.737	S	S	*	*			cis	-174.2	175	-42.2	-126.5	-164.8	176.9	-167.6	0	108.2
671	H	35.3	Very low	31.5	Very low	148 Å²	148	129 Å²	129	69%	0.685	74%	0.74	S	S	*	*			trans	73.5	151	164.7	-60.1	-62.8	0	0	0	117.5
672	D	31.5	Very low	31.5	Very low	131 Å²	131	129 Å²	129	70%	0.701	74%	0.744	S	S	*	*			cis	-170.9	173.4	-41.8	-110.8	-35.3	0	0	0	109.2
673	S	36.1	Very low	31.8	Very low	95 Å²	95	132 Å²	132	66%	0.664	75%	0.747	S	S	*	*			trans	70.3	130.7	168.4	-68.2	0	0	0	0	117
674	T	32.7	Very low	31.7	Very low	111 Å²	111	133.1 Å²	133.1	68%	0.681	75%	0.747	S	S	*	*			cis	67.8	129.9	44.1	78.4	0	0	0	0	111.4
675	D	33.2	Very low	32.1	Very low	133 Å²	133	136.9 Å²	136.9	71%	0.711	75%	0.75	S	S	*	*				-176	-179.7	63.7	-99.4	-61.5	0	0	0	112.6
676	L	34.9	Very low	32.2	Very low	158 Å²	158	138.9 Å²	138.9	83%	0.827	75%	0.75	S	S	*	*			trans	66.6	127.5	175.9	-83.8	65.6	0	0	0	116
677	M	34.8	Very low	32.4	Very low	148 Å²	148	139.4 Å²	139.4	73%	0.729	75%	0.747	S	S	*	*			cis	122.5	138.7	10.1	-79.7	-93.7	-72.8	0	0	109.8
678	D	33.1	Very low	32.2	Very low	111 Å²	111	140.1 Å²	140.1	59%	0.594	75%	0.752	S	S	*	*			trans	72.3	109.4	140.4	-74.8	17.7	0	0	0	123.3
679	N	31.9	Very low	32.4	Very low	123 Å²	123	138.6 Å²	138.6	66%	0.658	75%	0.748	S	S	*	*				103.3	128.1	111.3	-88.8	-45.9	0	0	0	121.6
680	L	31.5	Very low	32.5	Very low	169 Å²	169	137.4 Å²	137.4	89%	0.885	74%	0.743	S	S	*	*			trans	66.2	135.5	148.5	-58.4	166	0	0	0	118.8
681	G	31.8	Very low	32.5	Very low	79 Å²	79	135.2 Å²	135.2	81%	0.814	75%	0.746	S	S	*	*			trans	145.5	55.1	168.2	0	0	0	0	0	116.6
682	S	32.8	Very low	32.5	Very low	100 Å²	100	134.3 Å²	134.3	70%	0.699	75%	0.746	S	S	*	*			trans	-72.5	132.5	162.4	-177.2	0	0	0	0	110
683	F	30.9	Very low	32.5	Very low	195 Å²	195	134.4 Å²	134.4	86%	0.855	75%	0.746	S	S	*	*				162.5	134.4	127.9	-91.7	-65.7	0	0	0	112.2
684	D	28.3	Very low	32.4	Very low	157 Å²	157	137.1 Å²	137.1	84%	0.84	75%	0.748	S	S	*	*			trans	-70.3	128.2	-174.8	-63.8	-85.3	0	0	0	115.4
685	K	31.2	Very low	32.4	Very low	198 Å²	198	137.5 Å²	137.5	86%	0.861	75%	0.75	S	S	*	*			trans	-179.2	172.9	135.8	-105.1	165.5	-178.4	173.4	0	111.5
686	I	32.5	Very low	32.2	Very low	157 Å²	157	138.9 Å²	138.9	81%	0.805	75%	0.752	S	S	*	*			trans	104.7	118.8	159.8	-66.1	160.1	0	0	0	117.8
687	H	32.8	Very low	32.1	Very low	165 Å²	165	137.5 Å²	137.5	76%	0.764	75%	0.753	S	S	*	*			trans	51.3	112.6	155.4	-89.9	-73.9	0	0	0	123.5
688	S	27.1	Very low	31.8	Very low	109 Å²	109	135.7 Å²	135.7	76%	0.762	75%	0.75	S	S	*	*			trans	-75.4	150	138.7	36.3	0	0	0	0	112.2
689	T	35.5	Very low	31.6	Very low	110 Å²	110	140 Å²	140	68%	0.675	76%	0.764	S	S	*	*			trans	-167.2	129.2	149.8	19.7	0	0	0	0	112.5
690	N	33.6	Very low	31.3	Very low	131 Å²	131	138.6 Å²	138.6	70%	0.701	76%	0.762	S	S	*	*			trans	54.4	144.6	145.1	-52.3	-17.6	0	0	0	120
691	C	31.6	Very low	31	Very low	112 Å²	112	136.6 Å²	136.6	76%	0.757	76%	0.757	S	S	*	*			cis	-132.3	134.3	26.7	-65.8	0	0	0	0	111.3
692	L	35.1	Very low	30.9	Very low	129 Å²	129	138.3 Å²	138.3	68%	0.675	76%	0.757	S	S	*	*				63.7	130.7	84.8	-57.6	164.2	0	0	0	113.7
693	N	32	Very low	30.7	Very low	132 Å²	132	140.8 Å²	140.8	71%	0.706	76%	0.762	S	S	*	*			cis	-164	179.8	-0.8	-135.5	-0	0	0	0	114.6
694	H	33.3	Very low	30.7	Very low	152 Å²	152	138.5 Å²	138.5	70%	0.704	76%	0.758	S	S	*	*			trans	82.7	82	158.1	-88	-64.9	0	0	0	122.9
695	T	33.4	Very low	30.7	Very low	119 Å²	119	139.5 Å²	139.5	73%	0.73	75%	0.752	S	S	*	*				43.2	138.9	116.6	62.9	0	0	0	0	123.6
696	Q	28.1	Very low	30.9	Very low	162 Å²	162	137.8 Å²	137.8	76%	0.757	75%	0.751	S	S	*	*			trans	-67.2	176.5	165.3	-55.5	179.3	-15.3	0	0	114
697	P	34	Very low	30.9	Very low	130 Å²	130	138.2 Å²	138.2	84%	0.844	75%	0.747	S	S	*	*				-136.3	173.9	92.9	40.4	-30.6	0	0	0	115.6
698	V	27.8	Very low	30.9	Very low	110 Å²	110	134.6 Å²	134.6	67%	0.667	74%	0.74	S	S	*	*			trans	-91.3	140.4	176.4	172.6	0	0	0	0	110.8
699	F	28.9	Very low	31.4	Very low	201 Å²	201	134.3 Å²	134.3	88%	0.882	74%	0.736	S	S	*	*			trans	-172	171.1	141.1	-104.5	-61.6	0	0	0	114.6
700	C	25.4	Very low	31.2	Very low	93 Å²	93	137 Å²	137	63%	0.628	74%	0.74	S	S	*	*			trans	-52.8	146.3	-164.9	-69.5	0	0	0	0	122.1
701	T	26.1	Very low	31.2	Very low	127 Å²	127	137.5 Å²	137.5	78%	0.779	74%	0.739	S	S	*	*			trans	71.9	140.6	130.9	56.4	0	0	0	0	124.3
702	S	28.9	Very low	31.2	Very low	116 Å²	116	135.6 Å²	135.6	81%	0.811	73%	0.726	S	S	*	*			trans	94.6	145.2	149.8	-64.3	0	0	0	0	120.4
703	L	29	Very low	31.2	Very low	151 Å²	151	137.3 Å²	137.3	79%	0.791	73%	0.731	S	S	*	*			trans	-83.4	159.1	-172.9	-75.4	66	0	0	0	112.4
704	D	30.3	Very low	31.2	Very low	147 Å²	147	138.3 Å²	138.3	79%	0.786	74%	0.735	S	S	*	*				169.2	163.9	117	-89.5	-14.6	0	0	0	111.8
705	Y	29.3	Very low	30.9	Very low	178 Å²	178	135.4 Å²	135.4	70%	0.698	73%	0.732	S	S	*	*			cis	-167.5	112.9	-34.7	-172.2	-79	0	0	0	109.7
706	L	33.8	Very low	30.8	Very low	162 Å²	162	141.2 Å²	141.2	85%	0.848	74%	0.742	S	S	*	*			trans	-154.7	136.6	172.1	-75.1	176.8	0	0	0	111.9
707	K	32.9	Very low	30.8	Very low	167 Å²	167	137.7 Å²	137.7	73%	0.726	74%	0.735	S	S	*	*			cis	-162.8	86.8	-19.5	-164.4	175	-174.7	172.5	0	113.4
708	S	32.2	Very low	30.5	Very low	89 Å²	89	138.7 Å²	138.7	62%	0.622	73%	0.734	S	S	*	*			trans	56.6	-178.4	142.2	81.7	0	0	0	0	120.6
709	P	37.5	Very low	30.6	Very low	103 Å²	103	141.4 Å²	141.4	67%	0.669	74%	0.744	S	S	*	*			cis	-131.2	-176.1	-11.4	42.4	-27.2	0	0	0	115.3
710	H	33.3	Very low	30.8	Very low	165 Å²	165	138.9 Å²	138.9	76%	0.764	74%	0.737	S	S	*	*			trans	68.9	134.1	176.2	-85.5	-112.3	0	0	0	114.6
711	E	32.8	Very low	30.9	Very low	143 Å²	143	143.9 Å²	143.9	67%	0.668	75%	0.749	S	S	*	*			cis	-136.7	168.9	-1.9	-84.8	-147.8	-155.4	0	0	110.1
712	S	32.3	Very low	31.2	Very low	71 Å²	71	146.4 Å²	146.4	50%	0.497	75%	0.751	S	S	.	*				56.7	136.4	57	146.8	0	0	0	0	113
713	H	34.1	Very low	31.3	Very low	166 Å²	166	148.7 Å²	148.7	77%	0.769	75%	0.749	S	S	*	*			cis	-155.7	159.4	-14.9	-94.7	-43.8	0	0	0	106.3
714	L	32.3	Very low	31.5	Very low	152 Å²	152	147.2 Å²	147.2	80%	0.796	75%	0.749	S	S	*	*			cis	-151.3	-175.6	5.1	-131.3	175.9	0	0	0	108.1
715	S	27.3	Very low	31.3	Very low	91 Å²	91	147.1 Å²	147.1	64%	0.636	75%	0.748	S	S	*	*			trans	-139.8	164.1	168.1	69.6	0	0	0	0	112.7
716	Y	29.7	Very low	31.4	Very low	242 Å²	242	143.8 Å²	143.8	95%	0.949	75%	0.746	S	S	*	*			trans	-138.6	135.2	164.2	-120.7	-92	0	0	0	108
717	S	29.2	Very low	31.3	Very low	87 Å²	87	145.1 Å²	145.1	61%	0.608	75%	0.745	S	S	*	*			trans	-122.2	153.9	-175.2	-61.9	0	0	0	0	111.2
718	N	28	Very low	31.4	Very low	152 Å²	152	144 Å²	144	81%	0.813	75%	0.747	S	S	*	*			trans	62.9	105.5	164	-51.9	-30.7	0	0	0	117.2
719	L	29	Very low	31.2	Very low	167 Å²	167	146 Å²	146	87%	0.874	75%	0.75	S	S	*	*				-162.4	169.3	122.6	-131.4	70.6	0	0	0	111.7
720	I	32.9	Very low	30.9	Very low	147 Å²	147	147.4 Å²	147.4	75%	0.754	75%	0.752	S	S	*	*			trans	67.5	94.2	172.2	-53.5	161.7	0	0	0	115.4
721	K	28.7	Very low	30.8	Very low	199 Å²	199	143.5 Å²	143.5	87%	0.865	74%	0.744	S	S	*	*			trans	-77.9	139.7	142.3	-63.6	176.4	178.9	178.9	0	107.7
722	H	32	Very low	30.8	Very low	180 Å²	180	146 Å²	146	83%	0.833	75%	0.752	S	S	*	*			trans	-162.6	121	146.6	-100.2	-69	0	0	0	110.5
723	Q	30	Very low	30.8	Very low	164 Å²	164	148.3 Å²	148.3	77%	0.766	76%	0.764	S	S	*	*			trans	-97.5	144	156.6	-71.2	176.6	-87.4	0	0	108.3
724	P	34.1	Very low	30.8	Very low	120 Å²	120	145.9 Å²	145.9	78%	0.779	76%	0.763	S	S	*	*			trans	-89.9	127.2	153.9	33	-26.2	0	0	0	109.6
725	N	27	Very low	30.8	Very low	145 Å²	145	146.5 Å²	146.5	78%	0.775	76%	0.761	S	S	*	*			trans	-138.6	104.3	174.9	-129.4	34.9	0	0	0	108.7
726	T	30.5	Very low	30.9	Very low	107 Å²	107	152.1 Å²	152.1	66%	0.656	77%	0.769	S	S	*	*			trans	-156.3	134.8	178.9	46.5	0	0	0	0	107.2
727	F	32.7	Very low	31.1	Very low	190 Å²	190	147 Å²	147	83%	0.833	76%	0.757	S	S	*	*			cis	-126	-165.1	6.3	-54	-91.6	0	0	0	108.9
728	L	33.6	Very low	31.3	Very low	144 Å²	144	148.3 Å²	148.3	75%	0.754	76%	0.758	S	S	*	*			cis	-149	-152.1	5.1	-142.8	175.6	0	0	0	108.2
729	N	27.7	Very low	31.7	Very low	131 Å²	131	146.8 Å²	146.8	70%	0.701	75%	0.75	S	S	*	*			trans	-103	172.4	-179.2	-52.6	-20.1	0	0	0	109.3
730	D	32.8	Very low	32.1	Very low	132 Å²	132	144.8 Å²	144.8	71%	0.706	74%	0.74	S	S	*	*			cis	-150.1	146.6	31.1	-109.6	-63.2	0	0	0	115.2
731	S	31.2	Very low	32.2	Very low	83 Å²	83	143.7 Å²	143.7	58%	0.58	74%	0.736	S	S	*	*				25.4	136.5	129.7	-43.6	0	0	0	0	119.9
732	F	31.7	Very low	32.6	Very low	195 Å²	195	140 Å²	140	86%	0.855	73%	0.725	S	S	*	*			cis	-150.8	-168.2	39.1	-110.6	-75.7	0	0	0	114.9
733	T	31.6	Very low	32.8	Very low	121 Å²	121	138.7 Å²	138.7	74%	0.742	72%	0.72	S	S	*	*			trans	-94.9	162.3	-156.1	47.3	0	0	0	0	118.7
734	P	34.5	Very low	32.9	Very low	114 Å²	114	136.1 Å²	136.1	74%	0.74	72%	0.715	S	S	*	*			trans	-108.3	178.4	-175.6	42.6	-36.7	0	0	0	115.3
735	H	32.8	Very low	32.8	Very low	166 Å²	166	139.6 Å²	139.6	77%	0.769	72%	0.718	S	S	*	*			trans	-158.2	145.1	160.6	-119.4	-76.5	0	0	0	116.4
736	R	29.5	Very low	33.1	Very low	208 Å²	208	137.9 Å²	137.9	79%	0.785	72%	0.718	S	S	*	*			trans	10.8	149.4	151.7	-76.2	-176.3	163.1	154.9	-4.8	120.1
737	N	34	Very low	33	Very low	134 Å²	134	138.7 Å²	138.7	72%	0.717	72%	0.723	S	S	*	*			cis	-167.4	-169.5	24.2	-117.8	9.6	0	0	0	108.2
738	N	33.7	Very low	32.9	Very low	115 Å²	115	139 Å²	139	62%	0.615	72%	0.724	S	S	*	*				176.2	162.6	-50.3	-177.4	40	0	0	0	109.5
739	N	36.8	Very low	32.6	Very low	121 Å²	121	138.6 Å²	138.6	65%	0.647	72%	0.722	S	S	*	*			trans	69.1	150.9	172.4	-67.8	-16.5	0	0	0	118
740	N	36.1	Very low	32.7	Very low	125 Å²	125	143.4 Å²	143.4	67%	0.668	73%	0.732	S	S	*	*			cis	-170.4	162.4	-30.5	-115	-4.8	0	0	0	113.2
741	N	36	Very low	32.6	Very low	123 Å²	123	144.2 Å²	144.2	66%	0.658	74%	0.736	S	S	*	*			trans	77	127.8	147.1	-68.1	-1.4	0	0	0	124.2
742	N	35.7	Very low	32.3	Very low	122 Å²	122	145.3 Å²	145.3	65%	0.652	74%	0.744	S	S	*	*			trans	74.8	147.3	136.4	-62.4	-3.4	0	0	0	120.8
743	Q	36.5	Very low	32.3	Very low	153 Å²	153	142.4 Å²	142.4	72%	0.715	75%	0.747	S	S	*	*			cis	-163.7	146.6	-11.5	-114.6	172.1	-15.4	0	0	113.5
744	T	33.2	Very low	32.1	Very low	109 Å²	109	142 Å²	142	67%	0.669	75%	0.749	S	S	*	*			trans	56.4	120.5	145.9	55.8	0	0	0	0	126.4
745	K	30.6	Very low	31.8	Very low	193 Å²	193	143 Å²	143	84%	0.839	76%	0.758	S	S	*	*				83.6	154.1	122.4	-74.6	-174.4	172.9	-176.1	0	124.1
746	S	33.2	Very low	31.6	Very low	110 Å²	110	140.2 Å²	140.2	77%	0.769	76%	0.757	S	S	*	*			trans	65	128.6	175.5	30.3	0	0	0	0	116.2
747	T	30.2	Very low	31.5	Very low	124 Å²	124	135.8 Å²	135.8	76%	0.761	76%	0.758	S	S	*	*			cis	83	100.3	28.5	-50.4	0	0	0	0	114.7
748	F	29.8	Very low	31.3	Very low	195 Å²	195	135.4 Å²	135.4	86%	0.855	77%	0.766	S	S	*	*				-168.9	153.8	123.3	-120.8	-82.8	0	0	0	111.4
749	D	27	Very low	30.9	Very low	136 Å²	136	135.7 Å²	135.7	73%	0.727	78%	0.777	S	S	*	*			trans	-79.4	159.5	179	-50.8	-92.8	0	0	0	113.3
750	Y	30	Very low	30.6	Very low	232 Å²	232	134.8 Å²	134.8	91%	0.91	78%	0.78	S	S	*	*			trans	-144	150.1	152	-125.4	-86	0	0	0	113.5
751	L	30.4	Very low	30.1	Very low	150 Å²	150	135.6 Å²	135.6	79%	0.785	79%	0.789	S	S	*	*			trans	-81.7	151.2	-157	-73.9	151	0	0	0	116.4
752	S	25.9	Very low	29.9	Very low	106 Å²	106	136.5 Å²	136.5	74%	0.741	79%	0.793	S	S	*	*			trans	-9.6	138.8	146.7	-46.8	0	0	0	0	118.8
753	S	31.9	Very low	29.5	Very low	133 Å²	133	135.5 Å²	135.5	93%	0.93	79%	0.793	S	S	*	*			trans	-152.7	138.2	139.7	-82.6	0	0	0	0	111.2
754	S	27.2	Very low	29.1	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	80%	0.798	S	S	*	*			trans	-107.7	136.7	-174.7	53	0	0	0	0	111.8
755	C	27.5	Very low	29.1	Very low	136 Å²	136	135.6 Å²	135.6	92%	0.919	81%	0.806	S	S	*	*			trans	-129.8	146.3	163.8	-71.4	0	0	0	0	110.5
756	S	28.7	Very low	28.9	Very low	108 Å²	108	133.9 Å²	133.9	76%	0.755	81%	0.806	S	S	*	*			trans	-106.6	156.6	-164.4	-57.4	0	0	0	0	113.6
757	S	26.8	Very low	28.9	Very low	115 Å²	115	133.5 Å²	133.5	80%	0.804	80%	0.804	S	S	*	*			trans	49.4	107.3	144	59.6	0	0	0	0	119.4
758	S	30	Very low	28.9	Very low	125 Å²	125	133.5 Å²	133.5	87%	0.874	80%	0.804	S	S	*	*			trans	-145	146.1	138.2	57.6	0	0	0	0	110.3
759	S	25.5	Very low	29	Very low	121 Å²	121	134.2 Å²	134.2	85%	0.846	80%	0.802	S	S	*	*			trans	-97.7	130.7	-176.7	52.9	0	0	0	0	111.3
760	S	30.2	Very low	29.2	Very low	103 Å²	103	137.1 Å²	137.1	72%	0.72	81%	0.809	S	S	*	*			trans	-147.1	137.5	166.2	53.7	0	0	0	0	112.5
761	T	26.3	Very low	29.3	Very low	141 Å²	141	132 Å²	132	87%	0.865	80%	0.802	S	S	*	*			trans	-74.6	135.6	178.4	-51.5	0	0	0	0	110.6
762	I	30.5	Very low	29.6	Very low	143 Å²	143	134.1 Å²	134.1	73%	0.733	81%	0.805	S	S	*	*			trans	-128.6	132.2	174	-61.5	-176.6	0	0	0	108.6
763	P	27.9	Very low	30.3	Very low	100 Å²	100	134.5 Å²	134.5	65%	0.649	81%	0.807	S	S	*	*			trans	-79.9	166.5	-167.5	32.3	-37.6	0	0	0	114.3	T765	P763-T765 PolarHBondContact O-N 2.97Å
764	P	28.1	Very low	31.3	Very low	128 Å²	128	132.8 Å²	132.8	83%	0.831	79%	0.791	S	S	*	*			trans	-67.8	130.1	179	28.1	-35.6	0	0	0	112.4
765	T	34	Very low	32.9	Very low	136 Å²	136	132.9 Å²	132.9	83%	0.834	78%	0.783	S	S	*	*			trans	-93	112	175.3	41.7	0	0	0	0	111.2	P763 S767	P763-T765 PolarHBondContact O-N 2.97Å; T765-S767 PolarHBondContact O-N 2.92Å
766	N	26.7	Very low	34.7	Very low	157 Å²	157	132.6 Å²	132.6	84%	0.84	77%	0.771	S	S	*	*			trans	-63.5	122.5	168.6	-79.1	-22.3	0	0	0	110	T768	N766-T768 PolarHBondContact O-N 3.05Å
767	S	31.9	Very low	36.7	Very low	102 Å²	102	133.2 Å²	133.2	71%	0.713	77%	0.766	S	S	*	*			trans	-86.1	94.6	170.4	60.3	0	0	0	0	110.2	T765 Y769	T765-S767 PolarHBondContact O-N 2.92Å; S767-Y769 PolarHBondContact O-N 3.5Å
768	T	31.2	Very low	38.7	Very low	124 Å²	124	132.1 Å²	132.1	76%	0.761	75%	0.751	S	S	*	*			trans	-61.7	122	175	-34	0	0	0	0	110.2	N766 F770	N766-T768 PolarHBondContact O-N 3.05Å; T768-F770 PolarHBondContact O-N 3.11Å; T768-F770 VanDerWaalsContact O-N 3.12Å
769	Y	30.4	Very low	40.6	Very low	211 Å²	211	131 Å²	131	83%	0.827	74%	0.735	S	S	*	*			trans	-70.4	106.3	175.7	-84.9	-95	0	0	0	110.4	S767 T771	S767-Y769 PolarHBondContact O-N 3.5Å; Y769-T771 PolarHBondContact O-N 2.92Å; Y769-T771 VanDerWaalsContact O-N 3.16Å
770	F	31.4	Very low	42.9	Very low	196 Å²	196	131.5 Å²	131.5	86%	0.86	72%	0.724	S	S	*	*			trans	-76.1	94.5	163.3	-103.1	-82.3	0	0	0	109.4	T768 K772	T768-F770 PolarHBondContact O-N 3.11Å; T768-F770 VanDerWaalsContact O-N 3.12Å; F770-K772 PolarHBondContact O-N 3.27Å
771	T	32.6	Very low	44.8	Very low	125 Å²	125	131.7 Å²	131.7	77%	0.767	71%	0.713	S	S	*	*			trans	-68.6	115.9	165.8	41.2	0	0	0	0	109.2	Y769	Y769-T771 PolarHBondContact O-N 2.92Å; Y769-T771 VanDerWaalsContact O-N 3.16Å
772	K	37.9	Very low	46.9	Very low	195 Å²	195	130 Å²	130	85%	0.848	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-82.9	124.9	161.4	-72.9	-170.6	174.5	-172.9	0	108.1	F770 V774	F770-K772 PolarHBondContact O-N 3.27Å; K772-V774 PolarHBondContact O-N 2.89Å
773	S	39.9	Very low	48.9	Very low	113 Å²	113	126.1 Å²	126.1	79%	0.79	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-60.5	129.7	169.6	47	0	0	0	0	109.9
774	V	52.2	Low	51	Low	98 Å²	98	123.8 Å²	123.8	59%	0.594	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-82.6	129.2	166.4	176.8	0	0	0	0	107.2	K772 D778	K772-V774 PolarHBondContact O-N 2.89Å; V774-D778 HydrophobicContact CG1-CB 3.81Å
775	D	60.1	Low	53.1	Low	113 Å²	113	125.3 Å²	125.3	60%	0.604	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-72.3	149.7	-179.1	-104.7	-47.8	0	0	0	111.5	N777 D778 L779	D775-N777 PolarHBondContact O-N 3.29Å; D775-N777 VanDerWaalsContact O-N 3.12Å; D775-D778 PolarHBondContact O-N 3.32Å; D775-L779 PolarHBondContact O-N 3.34Å
776	L	66.6	Low	54.8	Low	130 Å²	130	124.3 Å²	124.3	68%	0.681	65%	0.652	S	S	*	*	H	α-helix	trans	-59.5	-29.7	-176.7	-172.7	61.9	0	0	0	112.3	L779 Q780	L776-L779 PolarHBondContact O-N 3.31Å; L776-Q780 PolarHBondContact O-N 3.41Å; L776-Q780 VanDerWaalsContact O-N 3.09Å
777	N	70.6	Confident	56.9	Low	122 Å²	122	120.4 Å²	120.4	65%	0.652	64%	0.636	S	S	*	*	H	α-helix	trans	-65.4	-37.9	175.6	-67.6	-28.4	0	0	0	112.8	D775 L779 Q780 E781	D775-N777 PolarHBondContact O-N 3.29Å; D775-N777 VanDerWaalsContact O-N 3.12Å; N777-L779 VanDerWaalsContact C-N 3.33Å; N777-L779 PolarHBondContact O-N 2.74Å; N777-Q780 PolarHBondContact O-N 3.38Å; N777-E781 WeakPolarHBondContact O-CB 3.32Å; N777-E781 PolarHBondContact O-N 3.2Å
778	D	68.3	Low	58.7	Low	91 Å²	91	119.3 Å²	119.3	49%	0.487	63%	0.629	S	S	.	*	H	α-helix	trans	-67	-37	178.4	-70.1	-31.1	0	0	0	111.2	V774 D775 Q780 L782	V774-D778 HydrophobicContact CG1-CB 3.81Å; D775-D778 PolarHBondContact O-N 3.32Å; D778-Q780 VanDerWaalsContact C-N 3.34Å; D778-L782 VanDerWaalsContact O-CB 3.31Å; D778-L782 WeakPolarHBondContact O-CB 3.4Å; D778-L782 VanDerWaalsContact O-CG 3.24Å; D778-L782 WeakPolarHBondContact O-CG 3.49Å; D778-L782 PolarHBondContact O-N 3.48Å
779	L	71.2	Confident	60.1	Low	103 Å²	103	115.8 Å²	115.8	54%	0.539	61%	0.612	S	S	.	*	H	α-helix	trans	-65.5	-36.5	172.4	-91.4	162.2	0	0	0	112.2	D775 L776 N777 S783	D775-L779 PolarHBondContact O-N 3.34Å; L776-L779 PolarHBondContact O-N 3.31Å; N777-L779 VanDerWaalsContact C-N 3.33Å; N777-L779 PolarHBondContact O-N 2.74Å; L779-S783 WeakPolarHBondContact O-CB 3.11Å; L779-S783 PolarHBondContact O-N 3.23Å; L779-S783 PolarHBondContact O-OG 2.79Å
780	Q	72.5	Confident	61.5	Low	130 Å²	130	110.6 Å²	110.6	61%	0.607	60%	0.598	S	S	*	*	H	α-helix	trans	-74.1	-40.9	177.8	-168.2	166.6	-32.5	0	0	112.1	L776 N777 D778 S783 A784	L776-Q780 PolarHBondContact O-N 3.41Å; L776-Q780 VanDerWaalsContact O-N 3.09Å; N777-Q780 PolarHBondContact O-N 3.38Å; D778-Q780 VanDerWaalsContact C-N 3.34Å; Q780-S783 PolarHBondContact O-N 3.2Å; Q780-S783 PolarHBondContact O-OG 3.22Å; Q780-A784 WeakPolarHBondContact O-CB 3.4Å; Q780-A784 PolarHBondContact O-N 3.06Å
781	E	70.4	Confident	63	Low	107 Å²	107	104.6 Å²	104.6	50%	0.5	59%	0.585	S	S	.	*	H	α-helix	trans	-57.8	-46.8	170	176	67.5	-157.6	0	0	111	N777 A784 R785	N777-E781 WeakPolarHBondContact O-CB 3.32Å; N777-E781 PolarHBondContact O-N 3.2Å; E781-A784 PolarHBondContact O-N 2.83Å; E781-R785 WeakPolarHBondContact O-CB 3.17Å; E781-R785 VanDerWaalsContact O-CG 3.28Å; E781-R785 WeakPolarHBondContact O-CG 3.48Å; E781-R785 PolarHBondContact O-N 3.37Å; E781-R785 WeakPolarHBondContact OE1-CD 3.42Å; E781-R785 IonicContact OE1-NH1 3.7Å
782	L	71	Confident	64.5	Low	106 Å²	106	102.8 Å²	102.8	56%	0.555	58%	0.582	S	S	*	*	H	α-helix	trans	-64.3	-41.5	176.5	-77	169.1	0	0	0	112.7	D778 R785 L786	D778-L782 VanDerWaalsContact O-CB 3.31Å; D778-L782 WeakPolarHBondContact O-CB 3.4Å; D778-L782 VanDerWaalsContact O-CG 3.24Å; D778-L782 WeakPolarHBondContact O-CG 3.49Å; D778-L782 PolarHBondContact O-N 3.48Å; L782-R785 PolarHBondContact O-N 2.86Å; L782-L786 WeakPolarHBondContact O-CB 3.39Å; L782-L786 PolarHBondContact O-N 3.45Å
783	S	72.7	Confident	65.1	Low	62 Å²	62	101.2 Å²	101.2	43%	0.434	57%	0.571	S	S	.	*	H	α-helix	trans	-69.3	-37.1	178.2	70.4	0	0	0	0	112.7	L779 Q780 L786 S787	L779-S783 WeakPolarHBondContact O-CB 3.11Å; L779-S783 PolarHBondContact O-N 3.23Å; L779-S783 PolarHBondContact O-OG 2.79Å; Q780-S783 PolarHBondContact O-N 3.2Å; Q780-S783 PolarHBondContact O-OG 3.22Å; S783-L786 PolarHBondContact O-N 3.19Å; S783-S787 WeakPolarHBondContact O-CB 3.41Å; S783-S787 PolarHBondContact O-N 2.76Å; S783-S787 PolarHBondContact O-OG 3.35Å
784	A	70.9	Confident	65.4	Low	51 Å²	51	101.7 Å²	101.7	42%	0.421	56%	0.561	S	S	.	*	H	α-helix	trans	-64	-41	173	0	0	0	0	0	112.3	Q780 E781 S788	Q780-A784 WeakPolarHBondContact O-CB 3.4Å; Q780-A784 PolarHBondContact O-N 3.06Å; E781-A784 PolarHBondContact O-N 2.83Å; A784-S788 WeakPolarHBondContact O-CB 3.2Å; A784-S788 PolarHBondContact O-N 3.21Å; A784-S788 PolarHBondContact O-OG 2.9Å
785	R	72.6	Confident	64.8	Low	160 Å²	160	102.7 Å²	102.7	60%	0.604	57%	0.569	S	S	*	*	H	α-helix	trans	-69.5	-38.3	175.6	-73	173.9	64.2	174.1	2.6	112.5	E781 L782 S788 A789	E781-R785 WeakPolarHBondContact O-CB 3.17Å; E781-R785 VanDerWaalsContact O-CG 3.28Å; E781-R785 WeakPolarHBondContact O-CG 3.48Å; E781-R785 PolarHBondContact O-N 3.37Å; E781-R785 WeakPolarHBondContact OE1-CD 3.42Å; E781-R785 IonicContact OE1-NH1 3.7Å; L782-R785 PolarHBondContact O-N 2.86Å; R785-S788 PolarHBondContact O-N 2.9Å; R785-A789 WeakPolarHBondContact O-CB 3.22Å; R785-A789 PolarHBondContact O-N 3.32Å
786	L	69	Low	64	Low	115 Å²	115	106.4 Å²	106.4	60%	0.602	58%	0.583	S	S	*	*	H	α-helix	trans	-63.9	-46.4	173.8	-163.2	76.3	0	0	0	111.1	L782 S783 S788 A789 I790	L782-L786 WeakPolarHBondContact O-CB 3.39Å; L782-L786 PolarHBondContact O-N 3.45Å; S783-L786 PolarHBondContact O-N 3.19Å; L786-S788 VanDerWaalsContact C-N 3.31Å; L786-S788 PolarHBondContact O-N 2.86Å; L786-A789 PolarHBondContact O-N 2.89Å; L786-I790 HydrophobicContact CG-CD1 4.13Å; L786-I790 VanDerWaalsContact O-CG1 3.31Å; L786-I790 WeakPolarHBondContact O-CG1 3.42Å; L786-I790 PolarHBondContact O-N 2.98Å
787	S	72.6	Confident	62.7	Low	74 Å²	74	105.4 Å²	105.4	52%	0.517	59%	0.587	S	S	.	*	H	α-helix	trans	-59.8	-42.4	177.8	-57.7	0	0	0	0	111.7	S783 I790 A791	S783-S787 WeakPolarHBondContact O-CB 3.41Å; S783-S787 PolarHBondContact O-N 2.76Å; S783-S787 PolarHBondContact O-OG 3.35Å; S787-I790 PolarHBondContact O-N 2.78Å; S787-A791 PolarHBondContact O-N 2.76Å
788	S	67.8	Low	61.1	Low	79 Å²	79	106.2 Å²	106.2	55%	0.552	60%	0.596	S	S	*	*	H	α-helix	trans	-66.3	-39.3	176.6	-60.5	0	0	0	0	112.2	A784 R785 L786 I790 A791 A792	A784-S788 WeakPolarHBondContact O-CB 3.2Å; A784-S788 PolarHBondContact O-N 3.21Å; A784-S788 PolarHBondContact O-OG 2.9Å; R785-S788 PolarHBondContact O-N 2.9Å; L786-S788 VanDerWaalsContact C-N 3.31Å; L786-S788 PolarHBondContact O-N 2.86Å; S788-I790 VanDerWaalsContact C-N 3.35Å; S788-A791 PolarHBondContact O-N 3.36Å; S788-A792 WeakPolarHBondContact O-CB 3.46Å; S788-A792 PolarHBondContact O-N 2.55Å
789	A	61.3	Low	59.6	Low	50 Å²	50	111.3 Å²	111.3	41%	0.413	61%	0.614	S	S	.	*	H	α-helix	trans	-68.4	-30.9	174.5	0	0	0	0	0	113	R785 L786 R793	R785-A789 WeakPolarHBondContact O-CB 3.22Å; R785-A789 PolarHBondContact O-N 3.32Å; L786-A789 PolarHBondContact O-N 2.89Å; A789-R793 WeakPolarHBondContact O-CB 3.29Å; A789-R793 WeakPolarHBondContact O-CD 3.41Å; A789-R793 VanDerWaalsContact O-CG 3.28Å; A789-R793 WeakPolarHBondContact O-CG 3.26Å; A789-R793 PolarHBondContact O-N 2.81Å
790	I	60.4	Low	57.7	Low	103 Å²	103	111.5 Å²	111.5	53%	0.528	62%	0.624	S	S	.	*	H	α-helix	trans	-72.3	-45.5	173.5	-68.8	163.3	0	0	0	110.5	L786 S787 S788 A792 R793	L786-I790 HydrophobicContact CG-CD1 4.13Å; L786-I790 VanDerWaalsContact O-CG1 3.31Å; L786-I790 WeakPolarHBondContact O-CG1 3.42Å; L786-I790 PolarHBondContact O-N 2.98Å; S787-I790 PolarHBondContact O-N 2.78Å; S788-I790 VanDerWaalsContact C-N 3.35Å; I790-A792 VanDerWaalsContact C-N 3.32Å; I790-A792 PolarHBondContact O-N 3.12Å; I790-R793 WeakPolarHBondContact O-CB 3Å; I790-R793 PolarHBondContact O-N 3.49Å
791	A	63.4	Low	55.8	Low	70 Å²	70	113 Å²	113	58%	0.579	63%	0.634	S	S	*	*	H	α-helix	trans	-58.8	-42.3	175.4	0	0	0	0	0	112	S787 S788 R793 Q794	S787-A791 PolarHBondContact O-N 2.76Å; S788-A791 PolarHBondContact O-N 3.36Å; A791-R793 PolarHBondContact O-N 2.67Å; A791-Q794 PolarHBondContact O-N 2.65Å
792	A	62.4	Low	53.9	Low	87 Å²	87	112.9 Å²	112.9	72%	0.719	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-10.2	175.2	0	0	0	0	0	114.6	S788 I790	S788-A792 WeakPolarHBondContact O-CB 3.46Å; S788-A792 PolarHBondContact O-N 2.55Å; I790-A792 VanDerWaalsContact C-N 3.32Å; I790-A792 PolarHBondContact O-N 3.12Å
793	R	51.3	Low	52.1	Low	162 Å²	162	113.2 Å²	113.2	61%	0.611	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-4.1	178.7	-82.6	173.8	159.2	-132.4	-9.7	113.9	E520 A789 I790 A791	E520-R793 IonicContact OE1-CZ 2.69Å; E520-R793 IonicContact OE1-NH1 2.76Å; E520-R793 PolarHBondContact OE1-NH1 2.84Å; E520-R793 IonicContact OE1-NH2 3.26Å; E520-R793 PolarHBondContact OE1-NH2 3.49Å; E520-R793 IonicContact OE2-CZ 3.66Å; E520-R793 IonicContact OE2-NH1 3.22Å; E520-R793 IonicContact OE2-NH2 2.81Å; E520-R793 PolarHBondContact OE2-NH2 2.74Å; A789-R793 WeakPolarHBondContact O-CB 3.29Å; A789-R793 WeakPolarHBondContact O-CD 3.41Å; A789-R793 VanDerWaalsContact O-CG 3.28Å; A789-R793 WeakPolarHBondContact O-CG 3.26Å; A789-R793 PolarHBondContact O-N 2.81Å; I790-R793 WeakPolarHBondContact O-CB 3Å; I790-R793 PolarHBondContact O-N 3.49Å; A791-R793 PolarHBondContact O-N 2.67Å
794	Q	46.2	Very low	50.2	Low	122 Å²	122	114.3 Å²	114.3	57%	0.57	67%	0.67	S	S	*	*	S	Bend	trans	-69.4	125.6	172.6	-73.9	-139.3	-8.2	0	0	111	H479 A791 Q796	H479-Q794 PolarHBondContact NE2-NE2 3Å; A791-Q794 PolarHBondContact O-N 2.65Å; Q794-Q796 PolarHBondContact O-N 2.88Å
795	P	39.7	Very low	48.4	Very low	119 Å²	119	120.4 Å²	120.4	77%	0.773	69%	0.691	S	S	*	*			trans	-70.2	121.4	174.7	28.9	-32.6	0	0	0	109.3	S797	P795-S797 PolarHBondContact O-N 2.77Å
796	Q	42.6	Very low	46.6	Very low	192 Å²	192	118.4 Å²	118.4	90%	0.897	70%	0.699	S	S	*	*			trans	-60.5	110.6	176.6	-67.9	-168.3	9.8	0	0	110	Q794 T798	Q794-Q796 PolarHBondContact O-N 2.88Å; Q796-T798 PolarHBondContact O-N 3.3Å
797	S	39	Very low	44.8	Very low	109 Å²	109	118.1 Å²	118.1	76%	0.762	71%	0.707	S	S	*	*			trans	-65	128.5	170.2	51.2	0	0	0	0	108.8	P795 K799	P795-S797 PolarHBondContact O-N 2.77Å; S797-K799 PolarHBondContact O-N 3.34Å
798	T	36.9	Very low	42.7	Very low	139 Å²	139	120.4 Å²	120.4	85%	0.853	72%	0.722	S	S	*	*			trans	-61.8	109.8	-178.2	48.8	0	0	0	0	109.6	Q796 S800	Q796-T798 PolarHBondContact O-N 3.3Å; T798-S800 PolarHBondContact O-N 2.85Å
799	K	36.7	Very low	41.2	Very low	198 Å²	198	123 Å²	123	86%	0.861	74%	0.736	S	S	*	*			trans	-58.1	107.2	176.5	-70.9	-178.5	179.4	177.1	0	109.6	S797 I801	S797-K799 PolarHBondContact O-N 3.34Å; K799-I801 PolarHBondContact O-N 3.34Å
800	S	32.2	Very low	39.9	Very low	106 Å²	106	125.6 Å²	125.6	74%	0.741	75%	0.752	S	S	*	*			trans	-64.8	113.1	168.8	51.5	0	0	0	0	108.8	T798 S802	T798-S800 PolarHBondContact O-N 2.85Å; S800-S802 PolarHBondContact O-N 3.19Å
801	I	32.4	Very low	38.6	Very low	162 Å²	162	128 Å²	128	83%	0.831	77%	0.765	S	S	*	*			trans	-70.3	99.4	178.5	-60	174.3	0	0	0	108.6	K799	K799-I801 PolarHBondContact O-N 3.34Å
802	S	31.6	Very low	37.4	Very low	104 Å²	104	130.4 Å²	130.4	73%	0.727	78%	0.775	S	S	*	*			trans	-112.5	76.7	170.9	61.4	0	0	0	0	109.6	S800 A804	S800-S802 PolarHBondContact O-N 3.19Å; S802-A804 PolarHBondContact O-N 3.32Å
803	S	33.6	Very low	35.9	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	78%	0.78	S	S	*	*			trans	-66.6	116.7	175.1	51.2	0	0	0	0	110.7
804	A	31.4	Very low	35.2	Very low	86 Å²	86	135.5 Å²	135.5	71%	0.711	79%	0.793	S	S	*	*			trans	-94.8	135.6	-178.3	0	0	0	0	0	112.6	S802	S802-A804 PolarHBondContact O-N 3.32Å
805	M	33.5	Very low	34.5	Very low	178 Å²	178	134.9 Å²	134.9	88%	0.877	80%	0.802	S	S	*	*			trans	-164.2	153.9	160	-85.8	-48.8	150.9	0	0	108.7
806	P	34.6	Very low	34.4	Very low	119 Å²	119	132.6 Å²	132.6	77%	0.773	80%	0.799	S	S	*	*				-125.4	-169.3	-64.4	26.7	-5.1	0	0	0	112
807	S	32	Very low	34	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	80%	0.796	S	S	*	*			trans	-94.2	153.7	-158.6	-42.2	0	0	0	0	117.5
808	C	28.6	Very low	33.8	Very low	123 Å²	123	130.4 Å²	130.4	83%	0.831	79%	0.786	S	S	*	*			trans	70.8	167.1	152.4	-68.1	0	0	0	0	117.9
809	P	36.6	Very low	33.8	Very low	133 Å²	133	131.7 Å²	131.7	86%	0.864	78%	0.78	S	S	*	*			cis	-118.5	-161	3.8	42.4	-28.6	0	0	0	114.6
810	S	33	Very low	33.7	Very low	105 Å²	105	132.4 Å²	132.4	73%	0.734	78%	0.777	S	S	*	*			trans	-131.3	178.8	-164.4	62	0	0	0	0	114.6
811	L	32.4	Very low	34	Very low	153 Å²	153	134.1 Å²	134.1	80%	0.801	78%	0.778	S	S	*	*			trans	78.4	160.9	172.1	-62.1	165.6	0	0	0	116.4
812	P	38	Very low	34.1	Very low	121 Å²	121	133.1 Å²	133.1	79%	0.786	77%	0.774	S	S	*	*			cis	-121.9	179.3	2.7	39.6	-25	0	0	0	115.8
813	K	32.5	Very low	34.4	Very low	193 Å²	193	137.5 Å²	137.5	84%	0.839	78%	0.78	S	S	*	*			trans	-76.8	157.8	172.5	-55.4	167.4	-177.3	171.7	0	111.2
814	N	36.1	Very low	34.5	Very low	163 Å²	163	136.2 Å²	136.2	87%	0.872	78%	0.776	S	S	*	*			trans	-145.2	166.8	145.9	-148.6	-11.6	0	0	0	111.9
815	S	31.7	Very low	34.8	Very low	109 Å²	109	138.6 Å²	138.6	76%	0.762	78%	0.782	S	S	*	*			trans	-136.6	156.1	-164.3	69.2	0	0	0	0	114.4
816	G	36.9	Very low	35	Very low	70 Å²	70	135.6 Å²	135.6	72%	0.722	77%	0.774	S	S	*	*			trans	171.9	90.7	172.7	0	0	0	0	0	109.7
817	Q	34.2	Very low	35	Very low	177 Å²	177	134.8 Å²	134.8	83%	0.827	77%	0.771	S	S	*	*				73	138.7	75.2	-77	-150.9	12.5	0	0	116.6
818	S	34.3	Very low	35.1	Very low	78 Å²	78	135.8 Å²	135.8	55%	0.545	77%	0.772	S	S	.	*			trans	91.7	94.3	148.6	-72.2	0	0	0	0	121.9
819	K	37.6	Very low	35.2	Very low	166 Å²	166	138.2 Å²	138.2	72%	0.722	77%	0.771	S	S	*	*				76.8	124.3	110.6	-72.2	163.8	-171.7	160.5	0	120.9
820	R	35.3	Very low	35.4	Very low	214 Å²	214	137.1 Å²	137.1	81%	0.808	76%	0.764	S	S	*	*				60.4	122.6	129.8	-65.3	179.3	173	175.1	-4.3	118.7
821	N	38	Very low	35.3	Very low	141 Å²	141	136.5 Å²	136.5	75%	0.754	76%	0.76	S	S	*	*				-170.4	171.1	81.1	-107.4	-36.8	0	0	0	115.1
822	N	34.2	Very low	35.4	Very low	142 Å²	142	134.2 Å²	134.2	76%	0.759	76%	0.757	S	S	*	*			trans	-55.5	172.3	171.2	-52.4	-42.4	0	0	0	112.3
823	K	37.2	Very low	35.1	Very low	195 Å²	195	133.2 Å²	133.2	85%	0.848	75%	0.753	S	S	*	*			cis	-172	118.2	40.5	-165.1	177.4	-179	-175.2	0	115.6
824	A	37.4	Very low	35.1	Very low	86 Å²	86	128.6 Å²	128.6	71%	0.711	75%	0.745	S	S	*	*			trans	60.4	172.3	139.3	0	0	0	0	0	122.8
825	V	37.8	Very low	35	Very low	137 Å²	137	129.5 Å²	129.5	83%	0.83	74%	0.741	S	S	*	*			trans	81.7	128	164.3	-174.8	0	0	0	0	116.8
826	T	36.3	Very low	34.8	Very low	115 Å²	115	131.4 Å²	131.4	71%	0.706	74%	0.742	S	S	*	*			cis	-168.7	149	-19.2	-97.1	0	0	0	0	109.1
827	S	34.4	Very low	34.6	Very low	102 Å²	102	133.3 Å²	133.3	71%	0.713	74%	0.741	S	S	*	*			trans	65.6	146.4	164.4	-103.3	0	0	0	0	119.3
828	T	34.3	Very low	34.5	Very low	128 Å²	128	132.2 Å²	132.2	79%	0.785	74%	0.74	S	S	*	*			cis	-151.6	136.6	-19.1	-8.2	0	0	0	0	110.3
829	Q	31.3	Very low	34.6	Very low	174 Å²	174	133.8 Å²	133.8	81%	0.813	75%	0.748	S	S	*	*			trans	-89.8	-172.4	156.8	-113.2	-159.6	2.8	0	0	109.1
830	P	39.8	Very low	34.8	Very low	110 Å²	110	130.9 Å²	130.9	71%	0.714	75%	0.746	S	S	*	*			cis	-107	-118.5	-2.1	17.7	8.1	0	0	0	111.6
831	S	32.8	Very low	34.5	Very low	93 Å²	93	127.8 Å²	127.8	65%	0.65	75%	0.745	S	S	*	*			cis	-163.2	141.6	-1.5	57.5	0	0	0	0	114.1
832	S	34	Very low	34	Very low	105 Å²	105	127.8 Å²	127.8	73%	0.734	75%	0.745	S	S	*	*			trans	22.3	149.1	139.2	62.4	0	0	0	0	122.7
833	S	30.7	Very low	33.9	Very low	99 Å²	99	126 Å²	126	69%	0.692	74%	0.744	S	S	*	*			cis	-179.3	-178.3	-14.6	53.1	0	0	0	0	109.8
834	S	33.3	Very low	33.6	Very low	97 Å²	97	120.1 Å²	120.1	68%	0.678	74%	0.738	S	S	*	*			trans	64.7	107.1	140.9	58.9	0	0	0	0	121.8
835	K	33	Very low	33.3	Very low	182 Å²	182	121.1 Å²	121.1	79%	0.791	74%	0.74	S	S	*	*				91	103.8	104.8	-167.6	-178.5	-178.5	-178.2	0	120.4
836	L	27.2	Very low	33.1	Very low	149 Å²	149	121.8 Å²	121.8	78%	0.78	74%	0.738	S	S	*	*			trans	68.3	-173.3	148.8	-56.2	172.8	0	0	0	115.6
837	P	33.7	Very low	32.9	Very low	109 Å²	109	121.4 Å²	121.4	71%	0.708	74%	0.736	S	S	*	*				-129.8	175.9	-78.8	41	-27	0	0	0	115.8
838	I	31.6	Very low	32.7	Very low	154 Å²	154	122.7 Å²	122.7	79%	0.79	73%	0.734	S	S	*	*			trans	1	139.6	140.2	-56.9	166.8	0	0	0	115.7
839	P	36.4	Very low	32.5	Very low	112 Å²	112	122 Å²	122	73%	0.727	73%	0.733	S	S	*	*			cis	-135.6	-126.4	14.7	30.1	-3.4	0	0	0	113.6
840	P	41.8	Very low	32.5	Very low	104 Å²	104	120.6 Å²	120.6	68%	0.675	73%	0.73	S	S	*	*				-115.7	-164	-74.2	25.2	-3.9	0	0	0	114
841	L	29.9	Very low	32.2	Very low	150 Å²	150	120.1 Å²	120.1	79%	0.785	73%	0.729	S	S	*	*			trans	115.7	92.9	147.3	-64.1	164.8	0	0	0	118.5
842	N	27.2	Very low	32.3	Very low	140 Å²	140	124 Å²	124	75%	0.749	73%	0.734	S	S	*	*				40.1	113.8	106.5	-171.2	34.3	0	0	0	119.2
843	S	31.9	Very low	32.4	Very low	106 Å²	106	125 Å²	125	74%	0.741	73%	0.731	S	S	*	*				162.3	138.6	107.7	53	0	0	0	0	114.7
844	G	31.9	Very low	32.5	Very low	71 Å²	71	127.3 Å²	127.3	73%	0.732	73%	0.731	S	S	*	*			trans	67.5	172.9	160.1	0	0	0	0	0	118.7
845	S	30.7	Very low	32.6	Very low	106 Å²	106	128.8 Å²	128.8	74%	0.741	74%	0.736	S	S	*	*			cis	-167.3	147.3	-21.6	-120.1	0	0	0	0	112.7
846	L	32.2	Very low	32.7	Very low	151 Å²	151	124.5 Å²	124.5	79%	0.791	73%	0.729	S	S	*	*			trans	65.5	124.9	143.6	-64	167.6	0	0	0	122.5
847	V	33.4	Very low	33.1	Very low	108 Å²	108	123.9 Å²	123.9	66%	0.655	73%	0.731	S	S	*	*				93.9	102.9	120.2	168.2	0	0	0	0	122.3
848	N	29.1	Very low	33.1	Very low	128 Å²	128	123.5 Å²	123.5	68%	0.684	73%	0.731	S	S	*	*				68.5	172.9	122	-56.6	-4.3	0	0	0	124.3
849	C	31.6	Very low	33.3	Very low	114 Å²	114	120.6 Å²	120.6	77%	0.77	72%	0.724	S	S	*	*			trans	75.1	89.5	170	-59.1	0	0	0	0	115.3
850	I	30.5	Very low	33.3	Very low	144 Å²	144	123 Å²	123	74%	0.738	73%	0.725	S	S	*	*			cis	74.2	137.6	41.1	-43.9	157.5	0	0	0	113.3
851	S	33.4	Very low	33	Very low	100 Å²	100	123.9 Å²	123.9	70%	0.699	72%	0.724	S	S	*	*			trans	83.2	145.8	164.4	-5.4	0	0	0	0	117.3
852	K	34.4	Very low	33.1	Very low	175 Å²	175	125.7 Å²	125.7	76%	0.761	73%	0.726	S	S	*	*			cis	-151	147.3	1.5	-81.8	-156.5	-177.3	-176.4	0	113.2
853	L	35.8	Very low	33.2	Very low	125 Å²	125	124.6 Å²	124.6	65%	0.654	73%	0.728	S	S	*	*			trans	61.6	157.7	137.2	-80.1	45.2	0	0	0	120.7
854	E	34.5	Very low	33.7	Very low	148 Å²	148	124.5 Å²	124.5	69%	0.692	73%	0.725	S	S	*	*			cis	-153.3	150.7	4.8	-145.2	132.7	-146.5	0	0	114.5
855	T	34.4	Very low	33.9	Very low	129 Å²	129	127.6 Å²	127.6	79%	0.791	73%	0.73	S	S	*	*			trans	51.2	148.1	150.9	43.6	0	0	0	0	123.2
856	S	34.8	Very low	33.9	Very low	91 Å²	91	129.4 Å²	129.4	64%	0.636	73%	0.731	S	S	*	*			cis	-162.5	151.4	-1.4	45.8	0	0	0	0	112.7
857	T	35.5	Very low	33.9	Very low	136 Å²	136	125.7 Å²	125.7	83%	0.834	72%	0.718	S	S	*	*			trans	56.3	147.9	152.8	46.3	0	0	0	0	119.9
858	S	35.1	Very low	34	Very low	102 Å²	102	128 Å²	128	71%	0.713	73%	0.727	S	S	*	*			cis	-176.3	146	-8.9	173.8	0	0	0	0	107.5
859	C	34.1	Very low	34.1	Very low	93 Å²	93	128.5 Å²	128.5	63%	0.628	73%	0.729	S	S	*	*			cis	-167	165.1	-16.7	-105.9	0	0	0	0	110.2
860	Q	37.3	Very low	34.3	Very low	162 Å²	162	128.4 Å²	128.4	76%	0.757	73%	0.725	S	S	*	*			trans	43	138.3	137.7	-60.3	174.1	-5.4	0	0	121.2
861	N	35.7	Very low	34.4	Very low	122 Å²	122	129.8 Å²	129.8	65%	0.652	73%	0.728	S	S	*	*			cis	-162.7	-177.2	2.1	-109.4	-5.1	0	0	0	108.1
862	F	32.3	Very low	34.6	Very low	188 Å²	188	129.2 Å²	129.2	83%	0.825	72%	0.722	S	S	*	*			cis	-146.9	-176.8	8.3	-129.5	-63.7	0	0	0	108.7
863	C	29.7	Very low	34.4	Very low	118 Å²	118	126.8 Å²	126.8	80%	0.797	72%	0.722	S	S	*	*			trans	-147.5	-179.8	-174.1	-105.3	0	0	0	0	113.6
864	P	42.5	Very low	34.1	Very low	104 Å²	104	126.9 Å²	126.9	68%	0.675	73%	0.728	S	S	*	*			trans	-125.3	-141.7	-148.9	44.1	-28.4	0	0	0	114.9
865	T	35	Very low	34	Very low	136 Å²	136	123.9 Å²	123.9	83%	0.834	73%	0.729	S	S	*	*			trans	83.6	161.6	170.1	72.6	0	0	0	0	118
866	N	29.9	Very low	33.8	Very low	144 Å²	144	122.6 Å²	122.6	77%	0.77	73%	0.725	S	S	*	*			cis	-167.2	163.1	-38.1	-174.1	30.7	0	0	0	110.6
867	S	33.5	Very low	33.7	Very low	73 Å²	73	124.4 Å²	124.4	51%	0.51	73%	0.728	S	S	.	*			trans	-8.6	141.7	167.5	63.5	0	0	0	0	123
868	N	35.3	Very low	33.4	Very low	156 Å²	156	124.4 Å²	124.4	83%	0.834	72%	0.722	S	S	*	*			trans	157.8	164.4	133.7	-81.4	-27	0	0	0	111.3
869	N	30.7	Very low	33	Very low	139 Å²	139	124.2 Å²	124.2	74%	0.743	72%	0.721	S	S	*	*			cis	-171	165.3	-39.7	-170.3	13.7	0	0	0	108.4
870	V	36.2	Very low	32.9	Very low	111 Å²	111	126.1 Å²	126.1	67%	0.673	73%	0.73	S	S	*	*			trans	73.3	119	170.3	-167.9	0	0	0	0	115.4
871	Q	32.9	Very low	32.4	Very low	173 Å²	173	126.9 Å²	126.9	81%	0.808	73%	0.73	S	S	*	*				75.5	154	62.1	-104.1	-160.2	-33.7	0	0	115.4
872	P	37.3	Very low	32	Very low	89 Å²	89	126.3 Å²	126.3	58%	0.578	74%	0.736	S	S	*	*				-133.3	-159.2	-56.5	29.8	-6.8	0	0	0	112.3
873	T	31.2	Very low	31.9	Very low	124 Å²	124	122.4 Å²	122.4	76%	0.761	73%	0.732	S	S	*	*			trans	74.4	151.3	165.1	76	0	0	0	0	116.8
874	T	29.3	Very low	31.9	Very low	127 Å²	127	127.2 Å²	127.2	78%	0.779	74%	0.735	S	S	*	*			cis	-158.6	171.8	-16.8	15.1	0	0	0	0	109.6
875	A	31	Very low	31.8	Very low	85 Å²	85	128.1 Å²	128.1	70%	0.702	74%	0.741	S	S	*	*			trans	69	100.9	148.8	0	0	0	0	0	120.2
876	S	31.2	Very low	31.6	Very low	101 Å²	101	126 Å²	126	71%	0.706	73%	0.732	S	S	*	*				111.9	143	104	76.8	0	0	0	0	120.5
877	N	33	Very low	31.9	Very low	130 Å²	130	125.3 Å²	125.3	70%	0.695	73%	0.728	S	S	*	*			trans	74.5	93.3	144.8	-62.9	-9.4	0	0	0	121
878	N	27.8	Very low	31.8	Very low	136 Å²	136	129.8 Å²	129.8	73%	0.727	74%	0.741	S	S	*	*				68.1	106.7	109.9	-65.5	-5.6	0	0	0	120.5
879	S	27.2	Very low	31.8	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	74%	0.738	S	S	*	*				83.6	156.9	116.2	-58.4	0	0	0	0	120
880	T	31.6	Very low	31.7	Very low	133 Å²	133	125.1 Å²	125.1	82%	0.816	74%	0.737	S	S	*	*			trans	67.6	153.5	165.1	56.3	0	0	0	0	118.2
881	K	27.2	Very low	31.6	Very low	178 Å²	178	126.2 Å²	126.2	77%	0.774	74%	0.738	S	S	*	*			cis	-174.9	140.4	-30.9	-167.6	175.7	-170.9	-179.1	0	106.6
882	S	26.6	Very low	31.5	Very low	110 Å²	110	126.1 Å²	126.1	77%	0.769	74%	0.738	S	S	*	*			trans	57.6	174.4	170.5	51.2	0	0	0	0	114.4
883	S	30.2	Very low	31.2	Very low	107 Å²	107	126.3 Å²	126.3	75%	0.748	74%	0.741	S	S	*	*			cis	-148.7	171.7	-1.3	-15.8	0	0	0	0	110
884	Y	29.7	Very low	31.2	Very low	218 Å²	218	128.6 Å²	128.6	86%	0.855	74%	0.744	S	S	*	*			trans	-56.5	163.4	162.9	-81.1	-94.9	0	0	0	112.9
885	P	41.9	Very low	31.4	Very low	123 Å²	123	127.9 Å²	127.9	80%	0.799	74%	0.743	S	S	*	*				-116.1	151.4	108.6	-8.9	27.5	0	0	0	114.4
886	S	31.1	Very low	31.4	Very low	91 Å²	91	131.1 Å²	131.1	64%	0.636	75%	0.749	S	S	*	*			trans	-79.8	163	158.8	-52.1	0	0	0	0	110
887	D	34.6	Very low	32	Very low	130 Å²	130	131.2 Å²	131.2	70%	0.695	75%	0.747	S	S	*	*				-177.2	124.5	102.3	-98.7	-29	0	0	0	116
888	Q	31.7	Very low	32.1	Very low	168 Å²	168	132.5 Å²	132.5	79%	0.785	75%	0.753	S	S	*	*			trans	64.5	156.3	133	-67.2	173.9	58.5	0	0	123.8
889	A	34.7	Very low	32.1	Very low	94 Å²	94	130.6 Å²	130.6	78%	0.777	75%	0.751	S	S	*	*			trans	76	132.4	160.2	0	0	0	0	0	119.1
890	S	30.5	Very low	32.3	Very low	102 Å²	102	135.8 Å²	135.8	71%	0.713	76%	0.761	S	S	*	*			cis	-170.9	164.3	-16.9	-136.7	0	0	0	0	113
891	L	32.9	Very low	32.2	Very low	134 Å²	134	136 Å²	136	70%	0.702	76%	0.755	S	S	*	*			trans	68.4	113.6	157.8	-58.9	164.8	0	0	0	117.2
892	Q	30.2	Very low	32.7	Very low	171 Å²	171	135.7 Å²	135.7	80%	0.799	76%	0.76	S	S	*	*				77.6	145.8	87.7	-76.2	178.8	2.1	0	0	114.4
893	S	31.6	Very low	32.7	Very low	93 Å²	93	137.7 Å²	137.7	65%	0.65	76%	0.755	S	S	*	*			cis	-153.1	136.8	7.3	45.5	0	0	0	0	110.4
894	Q	31	Very low	32.9	Very low	173 Å²	173	138.4 Å²	138.4	81%	0.808	76%	0.755	S	S	*	*				96.4	146.9	94.9	-75.5	-178.4	-11.2	0	0	117.9
895	S	33.6	Very low	33	Very low	111 Å²	111	133.2 Å²	133.2	78%	0.776	75%	0.75	S	S	*	*			trans	62	122.2	163.8	42.7	0	0	0	0	119.9
896	N	31.1	Very low	32.9	Very low	154 Å²	154	132.2 Å²	132.2	82%	0.824	74%	0.744	S	S	*	*			cis	68.4	149.4	44.8	-81.7	-1.5	0	0	0	115.9
897	P	44.5	Very low	32.8	Very low	102 Å²	102	133.8 Å²	133.8	66%	0.662	75%	0.75	S	S	*	*			cis	-143.1	-142.4	-28	40.1	-19.3	0	0	0	112.1
898	L	34	Very low	32.8	Very low	157 Å²	157	135.4 Å²	135.4	82%	0.822	76%	0.757	S	S	*	*			trans	80.7	109.9	175.9	-50.6	179.3	0	0	0	114
899	S	27.8	Very low	33.1	Very low	96 Å²	96	132.1 Å²	132.1	67%	0.671	75%	0.75	S	S	*	*			cis	75	106.8	37.3	-163.2	0	0	0	0	114.8
900	F	32.4	Very low	32.9	Very low	206 Å²	206	134.1 Å²	134.1	90%	0.904	75%	0.748	S	S	*	*			trans	-145.5	124	134	-121	-80	0	0	0	109.6
901	M	30	Very low	32.9	Very low	137 Å²	137	135 Å²	135	68%	0.675	74%	0.743	S	S	*	*			trans	-88.7	146.8	167.4	-63.5	-131.1	-147	0	0	109.5	F903	M901-F903 HydrophobicContact CB-CD2 4.4Å; M901-F903 HydrophobicContact CE-CE2 4.09Å; M901-F903 HydrophobicContact SD-CD2 3.63Å; M901-F903 HydrophobicContact SD-CE2 3.55Å; M901-F903 VanDerWaalsContact SD-CE2 3.55Å
902	I	36.8	Very low	32.9	Very low	172 Å²	172	136.1 Å²	136.1	88%	0.882	75%	0.745	S	S	*	*			trans	-122.5	131.8	145.1	-63.7	-175.3	0	0	0	106.9
903	F	27.6	Very low	33.1	Very low	152 Å²	152	132.9 Å²	132.9	67%	0.667	73%	0.733	S	S	*	*			trans	-114.7	-172.7	-165.7	-131.6	-83.1	0	0	0	109.8	M901	M901-F903 HydrophobicContact CB-CD2 4.4Å; M901-F903 HydrophobicContact CE-CE2 4.09Å; M901-F903 HydrophobicContact SD-CD2 3.63Å; M901-F903 HydrophobicContact SD-CE2 3.55Å; M901-F903 VanDerWaalsContact SD-CE2 3.55Å
904	T	33.3	Very low	33.3	Very low	123 Å²	123	135.6 Å²	135.6	76%	0.755	74%	0.735	S	S	*	*			trans	81.2	142.3	163.2	77.1	0	0	0	0	117.1
905	S	31	Very low	33.5	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	73%	0.728	S	S	*	*			cis	-158.2	167.1	-18.1	-104	0	0	0	0	111.8
906	P	40.7	Very low	33.6	Very low	103 Å²	103	132.9 Å²	132.9	67%	0.669	73%	0.73	S	S	*	*			trans	-117.1	-164.7	-165.5	43.7	-32.8	0	0	0	114.7
907	T	29.7	Very low	34	Very low	123 Å²	123	131.1 Å²	131.1	76%	0.755	73%	0.727	S	S	*	*			trans	69.1	131.3	157.7	47.8	0	0	0	0	120.5
908	I	34.7	Very low	33.5	Very low	165 Å²	165	131.8 Å²	131.8	85%	0.846	73%	0.734	S	S	*	*				-163	141.1	119.6	-96.1	154	0	0	0	108.5
909	P	37.9	Very low	33.4	Very low	99 Å²	99	129.2 Å²	129.2	64%	0.643	73%	0.729	S	S	*	*			trans	-105	-164	177	41.4	-35.3	0	0	0	113.2
910	D	30.3	Very low	33.7	Very low	136 Å²	136	129.8 Å²	129.8	73%	0.727	73%	0.729	S	S	*	*			trans	98.1	133.1	144.6	-88.3	-30	0	0	0	123.4
911	I	30.3	Very low	33.8	Very low	121 Å²	121	126.7 Å²	126.7	62%	0.621	72%	0.722	S	S	*	*			trans	87.8	109.4	133.8	-76.4	169.4	0	0	0	121.8
912	Q	32.4	Very low	33.9	Very low	156 Å²	156	128.5 Å²	128.5	73%	0.729	73%	0.728	S	S	*	*			trans	75.8	154.7	138.9	-75.3	176.8	9.8	0	0	120
913	N	34.3	Very low	33.9	Very low	104 Å²	104	124.4 Å²	124.4	56%	0.556	71%	0.713	S	S	*	*			cis	-154	159	13	-132.3	-18.1	0	0	0	118.1
914	H	36.5	Very low	33.8	Very low	150 Å²	150	124.5 Å²	124.5	69%	0.694	72%	0.719	S	S	*	*			trans	69	112	145	-74.5	-39.2	0	0	0	126.3
915	S	35.7	Very low	33.8	Very low	94 Å²	94	124.9 Å²	124.9	66%	0.657	72%	0.721	S	S	*	*				85.4	142.9	115.2	-60.2	0	0	0	0	121.1
916	T	34.7	Very low	33.7	Very low	133 Å²	133	125.6 Å²	125.6	82%	0.816	72%	0.72	S	S	*	*			cis	-158.5	164.4	-9	13.5	0	0	0	0	111
917	P	39.5	Very low	33.3	Very low	116 Å²	116	127.6 Å²	127.6	75%	0.753	73%	0.731	S	S	*	*			trans	-114.6	171.2	-166.7	42.6	-34.9	0	0	0	116.5
918	S	34.5	Very low	33.3	Very low	117 Å²	117	127.9 Å²	127.9	82%	0.818	73%	0.728	S	S	*	*			trans	164.1	165.4	143.3	43.7	0	0	0	0	111.4
919	S	32.3	Very low	33	Very low	102 Å²	102	127.9 Å²	127.9	71%	0.713	72%	0.724	S	S	*	*				-173.6	-179.7	-55.4	56	0	0	0	0	109.2
920	T	34.3	Very low	32.6	Very low	109 Å²	109	130.3 Å²	130.3	67%	0.669	73%	0.731	S	S	*	*			trans	91.4	104.7	151.4	-38.2	0	0	0	0	120
921	N	32.8	Very low	32.7	Very low	141 Å²	141	130.6 Å²	130.6	75%	0.754	73%	0.731	S	S	*	*			trans	57.4	126.9	143.8	-52.8	-7	0	0	0	120.8
922	Q	32.1	Very low	32.5	Very low	174 Å²	174	129.5 Å²	129.5	81%	0.813	73%	0.733	S	S	*	*				70	150.4	56.3	-76.6	-143.7	34.6	0	0	115.5
923	P	36.7	Very low	32.5	Very low	86 Å²	86	129 Å²	129	56%	0.558	74%	0.736	S	S	*	*			cis	-148.9	-174	-37.5	44.9	-28.1	0	0	0	114.2
924	I	26.8	Very low	32.4	Very low	155 Å²	155	131.7 Å²	131.7	80%	0.795	75%	0.745	S	S	*	*			trans	68.6	140	162.1	-56.7	163.9	0	0	0	113.1
925	V	33	Very low	32.1	Very low	131 Å²	131	131 Å²	131	79%	0.794	75%	0.746	S	S	*	*				-148.8	149.1	58.6	175.7	0	0	0	0	111.6
926	T	28.3	Very low	32	Very low	122 Å²	122	132.7 Å²	132.7	75%	0.748	75%	0.747	S	S	*	*			trans	-90.2	141.6	171.5	49.6	0	0	0	0	113.2
927	T	33.4	Very low	31.8	Very low	146 Å²	146	132.1 Å²	132.1	90%	0.896	74%	0.744	S	S	*	*			trans	-160.8	141.2	140.5	16.8	0	0	0	0	114.6
928	N	28.5	Very low	31.6	Very low	128 Å²	128	132.5 Å²	132.5	68%	0.684	75%	0.75	S	S	*	*			trans	-60.7	150.5	177.2	-76.1	20	0	0	0	118.4
929	E	29.6	Very low	31.4	Very low	165 Å²	165	135.9 Å²	135.9	77%	0.771	75%	0.752	S	S	*	*				70.7	162	128.6	-67.4	177.9	122.1	0	0	124.8
930	I	28.8	Very low	31.6	Very low	151 Å²	151	136.9 Å²	136.9	77%	0.774	76%	0.76	S	S	*	*			trans	78.8	140.3	157.4	-15.4	176.2	0	0	0	120.5
931	I	32.1	Very low	31.5	Very low	142 Å²	142	136.6 Å²	136.6	73%	0.728	76%	0.762	S	S	*	*			trans	86.8	87.2	159.3	-44.7	-175.6	0	0	0	118.3
932	S	27.2	Very low	31.6	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	77%	0.766	S	S	*	*				39.3	157.3	110.8	-42.8	0	0	0	0	123.6
933	N	32.1	Very low	31.5	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	76%	0.763	S	S	*	*			trans	74.8	151.3	164.7	-57.5	-0.7	0	0	0	114.8
934	E	31.2	Very low	31.3	Very low	159 Å²	159	138.6 Å²	138.6	74%	0.743	78%	0.775	S	S	*	*			cis	168.9	133.4	-25.1	-107.1	-131.2	118.9	0	0	102.9
935	L	31.3	Very low	31.7	Very low	137 Å²	137	137.2 Å²	137.2	72%	0.717	77%	0.774	S	S	*	*			trans	61.8	165.3	177.7	-71.3	80.1	0	0	0	113.9
936	D	32.7	Very low	31.5	Very low	128 Å²	128	137.1 Å²	137.1	68%	0.684	77%	0.774	S	S	*	*			cis	-141.3	177.3	10.5	-143.7	-38.2	0	0	0	112.9
937	T	29.7	Very low	31.8	Very low	122 Å²	122	139.3 Å²	139.3	75%	0.748	78%	0.781	S	S	*	*			trans	-67.5	152.4	178.9	53.7	0	0	0	0	115.2
938	S	35.9	Very low	31.8	Very low	124 Å²	124	136.8 Å²	136.8	87%	0.867	77%	0.769	S	S	*	*			trans	-173.2	146.1	135	28.9	0	0	0	0	112.1
939	E	30.8	Very low	32	Very low	187 Å²	187	138.7 Å²	138.7	87%	0.874	78%	0.779	S	S	*	*			trans	-89.7	158.9	177.8	-57.2	177.6	115.2	0	0	111.9
940	S	37.2	Very low	32.1	Very low	124 Å²	124	136 Å²	136	87%	0.867	78%	0.779	S	S	*	*			trans	-148.2	106.3	149.6	39.3	0	0	0	0	110.7
941	S	30.9	Very low	32.3	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	78%	0.779	S	S	*	*			trans	-86.9	141.8	-178.3	53.1	0	0	0	0	111.9
942	I	35.1	Very low	32.3	Very low	163 Å²	163	133.5 Å²	133.5	84%	0.836	78%	0.782	S	S	*	*			trans	-127.8	120.1	162.8	-62.8	-177.9	0	0	0	108.1
943	I	29.6	Very low	32.6	Very low	145 Å²	145	136.9 Å²	136.9	74%	0.744	79%	0.791	S	S	*	*			trans	-101.2	131.3	177.9	-60.2	169.2	0	0	0	108.1
944	V	34.1	Very low	32.8	Very low	135 Å²	135	136 Å²	136	82%	0.818	79%	0.793	S	S	*	*			trans	-129.4	138.3	159	-178.3	0	0	0	0	108.2
945	T	33.5	Very low	32.9	Very low	125 Å²	125	131.4 Å²	131.4	77%	0.767	79%	0.789	S	S	*	*			trans	-86.2	161.7	-156.9	1.6	0	0	0	0	115.1
946	T	30.4	Very low	33.1	Very low	129 Å²	129	132.9 Å²	132.9	79%	0.791	80%	0.798	S	S	*	*			trans	-64.2	157.4	173.3	47.4	0	0	0	0	112.7
947	N	32.7	Very low	32.8	Very low	168 Å²	168	132.9 Å²	132.9	90%	0.898	81%	0.806	S	S	*	*			trans	-141.2	139.5	138.8	-144.3	-10.6	0	0	0	110.4
948	S	33.4	Very low	33.1	Very low	93 Å²	93	136.6 Å²	136.6	65%	0.65	81%	0.812	S	S	*	*			trans	-107.7	147.8	-165.8	55	0	0	0	0	112.9
949	N	33.9	Very low	33	Very low	169 Å²	169	137.4 Å²	137.4	90%	0.904	81%	0.812	S	S	*	*			trans	-150.6	157.6	141	-102.4	-36.4	0	0	0	111.2
950	S	31.4	Very low	33.2	Very low	108 Å²	108	134 Å²	134	76%	0.755	80%	0.804	S	S	*	*			trans	-117.1	-164.2	-159.1	61.7	0	0	0	0	113.5
951	V	32.2	Very low	32.9	Very low	128 Å²	128	135.3 Å²	135.3	78%	0.776	80%	0.8	S	S	*	*			trans	97.4	88.7	178.7	-174	0	0	0	0	112.8
952	S	32	Very low	33.2	Very low	113 Å²	113	136.2 Å²	136.2	79%	0.79	80%	0.802	S	S	*	*				98.6	111.3	61.4	-71.9	0	0	0	0	113
953	L	34.6	Very low	33.2	Very low	168 Å²	168	140.4 Å²	140.4	88%	0.88	82%	0.817	S	S	*	*			trans	-69	164.8	156.6	-112.7	78.2	0	0	0	109.8
954	P	36.1	Very low	33.4	Very low	127 Å²	127	140.2 Å²	140.2	83%	0.825	82%	0.821	S	S	*	*				-155.2	-167	60.7	43.4	-22.2	0	0	0	116.3
955	G	32.9	Very low	33.3	Very low	63 Å²	63	140.4 Å²	140.4	65%	0.649	82%	0.821	S	S	*	*			trans	139.4	95.1	142.9	0	0	0	0	0	119
956	D	35.1	Very low	33.3	Very low	169 Å²	169	141.3 Å²	141.3	90%	0.904	82%	0.824	S	S	*	*			trans	51.3	117.6	139	-58.4	-7.8	0	0	0	123
957	C	27.5	Very low	33.5	Very low	128 Å²	128	142 Å²	142	87%	0.865	83%	0.826	S	S	*	*			trans	-71.7	142	160	-61.6	0	0	0	0	111.9
958	K	35.4	Very low	33.5	Very low	199 Å²	199	140.4 Å²	140.4	87%	0.865	82%	0.821	S	S	*	*			trans	-141.6	95.2	163	-135.2	170.6	-168.4	170	0	113.3	T960	K958-T960 PolarHBondContact O-N 3.23Å
959	T	35	Very low	33.5	Very low	141 Å²	141	143.5 Å²	143.5	87%	0.865	83%	0.833	S	S	*	*			trans	-58.3	126.2	170	-26.5	0	0	0	0	109.8
960	T	35	Very low	33.5	Very low	115 Å²	115	141.7 Å²	141.7	71%	0.706	83%	0.828	S	S	*	*			trans	-125.4	127.2	169.3	-55.8	0	0	0	0	108.2	K958 T962	K958-T960 PolarHBondContact O-N 3.23Å; T960-T962 HydrophobicContact CG2-CG2 4.46Å
961	L	30.8	Very low	33.7	Very low	152 Å²	152	144.3 Å²	144.3	80%	0.796	83%	0.833	S	S	*	*			trans	-120.7	96.6	-169.1	-162.2	175.7	0	0	0	108.4
962	T	37	Very low	33.8	Very low	123 Å²	123	145.7 Å²	145.7	76%	0.755	84%	0.838	S	S	*	*			trans	-149.9	71.1	-177.7	54.8	0	0	0	0	112.8	T960	T960-T962 HydrophobicContact CG2-CG2 4.46Å
963	H	34	Very low	33.9	Very low	250 Å²	250	148.6 Å²	148.6	100%	1.157	84%	0.842	S	S	*	*				-166.7	0	109.3	-153.8	-50.3	0	0	0	109.7

Retrieved 963 of 963 residues in 1793.2 ms (Link to these results)

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