A0A5K4F581_SCHMA Loading...

BTB domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F581, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,007 aa.

						>A0A5K4F581_SCHMA|A0A5K4F581
MVGTSQSSGKPGDLICLCIGGRLFVTRRATLYRLPDSRLYLIATQGSSNQESNINYTNQLNVGDDFIKSMNGNNSEVTSKYLSQSQTSGRLVGNGPNDGALIGGASILPDNIASMVAGNMNLQSASSICRNRGSGFTNPIVNPSHGIDLYQSSSNKSVPLLSPTSTNQFTQLSNSPIMTTPPIVYFYDRDPEIFRFVLDYYRTGELHLPSSICGPFVRKELIFWGIDEALIGPCCMPAYMRYDEEKRTKNTLFRDCFEDIDSMQNLVKFSRGWKKWRYRMWLFMDHPSSSLAAKIWASVLLVLMIASVMCYCLSTHDVFRTKSTIMLPYNGLQSVEPNSNNNNNIYNNNNNEENNLMNKQFHTDQKASYQTFLSTTTNTLNTMTTKNTQFNTTFNNPISICYDSLWHPNPKIQKDCSTEPSEGLVTFDISLNCLFTIEFLLKVLLAPDKPKFLSSIVSVFDMVILSSYWVYMSLFYYYYYYPKTTMTNNIELKIELSGYLWLLNILSMTQALRILRIFKISKISRGLRVLILTVKKSIPELVLLGFLLMNGMFLFSSMMYIAEYRVNDTFPDIPQSFWWSIITLTAVGYGDMHPKGGAGYFVGSLTAISGCIVTGLAIPIVGNNFNTYYKYMKNQLMEDKYLKTLRKDMEATGGVGGTKSGLGVAAEKGGLPLPGRKPRNINRRIIRGSKISKNDNMKSSLVNMMEICTRSIKRLLPTGLINKNNCKPIGVPKTPTTDSMQLLTENQKLPNVFTRKATIHELNEGKNSYKNQNNMSSNNLMSCKKKLSNDKLDIEHRPSLMYPLATDQFLNSLLPSQLSLIPTPQIWVDGEEFDDQLSAASHVFDNSGNNNNNTIKSSQPICSTSGIETTETIQNHPDHHYIYSRMSIVSEEILPNSIQISSDIPCCTVLNVSDVIQNDDNTMSSAEDGDDELEDSSWEVKTMKSTNKIHMNCDMNTVPRKSTSLTTSTLKNNNNDNDNCNKNDNNNNNNTDNNKHKKPIAKRMNYV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.6	Very low	27.3	Very low	244 Å²	244	143.2 Å²	143.2	100%	1.202	88%	0.877	S	S	*	*				0	158.3	0	-79.6	171.4	161.7	0	0	108.4
2	V	26.5	Very low	27.3	Very low	155 Å²	155	137 Å²	137	94%	0.939	86%	0.864	S	S	*	*			trans	2.6	127.2	173.2	-165.4	0	0	0	0	117.4
3	G	27.2	Very low	27.6	Very low	71 Å²	71	135.2 Å²	135.2	73%	0.732	84%	0.844	S	S	*	*			cis	-162.4	-173.9	11.7	0	0	0	0	0	114.9
4	T	25.9	Very low	28.5	Very low	145 Å²	145	131.2 Å²	131.2	89%	0.89	81%	0.813	S	S	*	*			trans	-103.7	131.1	-162.9	48.2	0	0	0	0	113.7
5	S	29.9	Very low	29.4	Very low	111 Å²	111	126.5 Å²	126.5	78%	0.776	78%	0.78	S	S	*	*			trans	-145	107.9	154.2	56.5	0	0	0	0	109.3	S7	S5-S7 PolarHBondContact O-N 3.34Å
6	Q	26.4	Very low	30.6	Very low	208 Å²	208	118.6 Å²	118.6	97%	0.972	73%	0.731	S	S	*	*			trans	-73.8	112.2	170.1	-71.8	176.3	-20.3	0	0	108.7
7	S	29	Very low	32	Very low	107 Å²	107	112.8 Å²	112.8	75%	0.748	69%	0.694	S	S	*	*			trans	-108.8	126.6	165.2	55.8	0	0	0	0	109.2	S5 G9	S5-S7 PolarHBondContact O-N 3.34Å; S7-G9 VanDerWaalsContact C-N 3.32Å; S7-G9 PolarHBondContact O-N 2.9Å
8	S	26.2	Very low	33.4	Very low	122 Å²	122	106.7 Å²	106.7	85%	0.853	66%	0.657	S	S	*	*			trans	-73.1	83.5	178.7	55.4	0	0	0	0	110.8
9	G	28.1	Very low	34.7	Very low	74 Å²	74	101.1 Å²	101.1	76%	0.763	62%	0.622	S	S	*	*			trans	-67.1	126.9	176.8	0	0	0	0	0	112.2	S7	S7-G9 VanDerWaalsContact C-N 3.32Å; S7-G9 PolarHBondContact O-N 2.9Å
10	K	26.2	Very low	35.9	Very low	195 Å²	195	97.7 Å²	97.7	85%	0.848	61%	0.609	S	S	*	*			trans	-77.8	151.1	170.9	-67.1	176.1	-179.6	176.1	0	109.5	G12	K10-G12 PolarHBondContact O-N 2.63Å
11	P	27.9	Very low	36.7	Very low	143 Å²	143	93.9 Å²	93.9	93%	0.929	59%	0.588	S	S	*	*	S	Bend	trans	-70.7	96.5	178.9	29.3	-34.8	0	0	0	110.7
12	G	27.3	Very low	37.8	Very low	69 Å²	69	88.5 Å²	88.5	71%	0.711	56%	0.555	S	S	*	*			trans	165.8	83.4	176	0	0	0	0	0	116.3	K10	K10-G12 PolarHBondContact O-N 2.63Å
13	D	31.2	Very low	38.8	Very low	114 Å²	114	83.5 Å²	83.5	61%	0.61	52%	0.523	S	S	*	.			trans	-142.6	109.5	142.9	-117.4	-35.1	0	0	0	109.4	I15	D13-I15 PolarHBondContact O-N 2.99Å
14	L	39.1	Very low	40	Very low	79 Å²	79	82.7 Å²	82.7	41%	0.414	50%	0.499	S	S	.	.			trans	-86.8	89.8	-171.7	-162.4	85.5	0	0	0	110.4	C16 P182	L14-C16 PolarHBondContact O-N 2.95Å; L14-C16 VanDerWaalsContact O-N 3.12Å; L14-P182 HydrophobicContact CB-CB 4.31Å; L14-P182 WeakPolarHBondContact O-CB 3.2Å
15	I	42.5	Very low	41	Very low	60 Å²	60	77.4 Å²	77.4	31%	0.308	47%	0.466	S	S	.	.			trans	-75.4	106.5	-173.3	-63.2	173	0	0	0	111.3	D13 A113 Y185	D13-I15 PolarHBondContact O-N 2.99Å; I15-A113 HydrophobicContact CD1-CB 3.54Å; I15-Y185 HydrophobicContact CG2-CD2 3.96Å; I15-Y185 HydrophobicContact CG2-CE2 4.15Å
16	C	49.1	Very low	41.9	Very low	1 Å²	1	74.6 Å²	74.6	1%	0.007	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	125.2	178.2	-62.7	0	0	0	0	110.7	L14 V25 V184 Y185	L14-C16 PolarHBondContact O-N 2.95Å; L14-C16 VanDerWaalsContact O-N 3.12Å; C16-V25 HydrophobicContact CB-CG2 3.66Å; C16-V25 VanDerWaalsContact SG-CG2 3.51Å; C16-V184 HydrophobicContact CB-CB 4.24Å; C16-V184 HydrophobicContact CB-CG1 3.95Å; C16-V184 HydrophobicContact CB-CG2 3.93Å; C16-V184 WeakPolarHBondContact O-CA 3.47Å; C16-Y185 PolarHBondContact O-N 3.2Å
17	L	54.9	Low	42.2	Very low	19 Å²	19	72.3 Å²	72.3	10%	0.099	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	111.6	176.8	-80.9	151.5	0	0	0	110.1	I19 F24 Y187 F194	L17-I19 HydrophobicContact CD2-CD1 4.37Å; L17-F24 HydrophobicContact CB-CB 4.09Å; L17-F24 PolarHBondContact N-O 3.23Å; L17-F24 VanDerWaalsContact N-O 3.14Å; L17-F24 WeakPolarHBondContact O-CA 3.19Å; L17-F24 WeakPolarHBondContact O-CB 3.38Å; L17-F24 PolarHBondContact O-N 3.22Å; L17-Y187 HydrophobicContact CD2-CD2 4.17Å; L17-Y187 HydrophobicContact CD2-CE2 3.72Å; L17-F194 HydrophobicContact CD1-CZ 4.32Å
18	C	55.5	Low	42.4	Very low	3 Å²	3	78.4 Å²	78.4	2%	0.02	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122	173.2	-177.9	0	0	0	0	109.8	L23 I42 V184 Y185 F186 Y187	C18-L23 HydrophobicContact CB-CD1 3.96Å; C18-I42 HydrophobicContact CB-CD1 4.31Å; C18-I42 VanDerWaalsContact SG-CD1 3.56Å; C18-V184 HydrophobicContact CB-CG1 4.36Å; C18-Y185 PolarHBondContact N-O 3.03Å; C18-F186 HydrophobicContact CB-CD2 3.86Å; C18-F186 CarbonylContact O-C 3.59Å; C18-F186 WeakPolarHBondContact O-CA 3.41Å; C18-Y187 PolarHBondContact O-N 2.88Å
19	I	59.9	Low	42.8	Very low	0 Å²	0	74.2 Å²	74.2	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	119.3	-169	-58.4	-172.1	0	0	0	108.7	L17 G21 R22 F24 Y187 R189 P191 F194 W224	L17-I19 HydrophobicContact CD2-CD1 4.37Å; I19-G21 PolarHBondContact O-N 2.84Å; I19-R22 PolarHBondContact N-O 2.72Å; I19-R22 PolarHBondContact O-N 3.49Å; I19-R22 VanDerWaalsContact O-O 3.09Å; I19-F24 HydrophobicContact CB-CD2 4.25Å; I19-F24 HydrophobicContact CB-CE2 4.12Å; I19-F24 HydrophobicContact CD1-CD2 4.48Å; I19-F24 HydrophobicContact CG1-CD2 4.4Å; I19-Y187 CarbonylContact C-O 3.6Å; I19-Y187 VanDerWaalsContact CA-O 3.29Å; I19-Y187 WeakPolarHBondContact CA-O 3.46Å; I19-Y187 HydrophobicContact CD1-CD2 4.06Å; I19-Y187 HydrophobicContact CG1-CD2 4.05Å; I19-R189 HydrophobicContact CG2-CB 3.99Å; I19-P191 WeakPolarHBondContact O-CB 3.47Å; I19-F194 HydrophobicContact CD1-CB 4.18Å; I19-F194 HydrophobicContact CD1-CD1 3.44Å; I19-F194 VanDerWaalsContact CD1-CD1 3.44Å; I19-F194 HydrophobicContact CD1-CD2 3.37Å; I19-F194 HydrophobicContact CD1-CE1 3.51Å; I19-F194 HydrophobicContact CD1-CE2 3.46Å; I19-F194 VanDerWaalsContact CD1-CE2 3.46Å; I19-F194 HydrophobicContact CD1-CG 3.34Å; I19-F194 HydrophobicContact CD1-CZ 3.53Å; I19-F194 HydrophobicContact CG2-CB 4.04Å; I19-F194 HydrophobicContact CG2-CG 4.33Å; I19-W224 HydrophobicContact CD1-CH2 3.76Å; I19-W224 HydrophobicContact CD1-CZ2 4.22Å
20	G	56.9	Low	43.1	Very low	34 Å²	34	74.6 Å²	74.6	35%	0.351	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	25.8	-179	0	0	0	0	0	114.4	R22 Y187 R189	G20-R22 VanDerWaalsContact C-N 3.28Å; G20-R22 PolarHBondContact O-N 2.89Å; G20-Y187 PolarHBondContact N-O 3.16Å; G20-R189 WeakPolarHBondContact CA-O 3.41Å; G20-R189 PolarHBondContact N-O 3.21Å
21	G	52.6	Low	43.4	Very low	18 Å²	18	69.7 Å²	69.7	19%	0.186	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-4.5	-172.5	0	0	0	0	0	115.7	I19	I19-G21 PolarHBondContact O-N 2.84Å
22	R	51.5	Low	43.7	Very low	130 Å²	130	69.8 Å²	69.8	49%	0.491	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	139.5	164.7	-64.6	-159.2	-169.2	129.7	-2.2	109.8	I19 G20 F24 P191	I19-R22 PolarHBondContact N-O 2.72Å; I19-R22 PolarHBondContact O-N 3.49Å; I19-R22 VanDerWaalsContact O-O 3.09Å; G20-R22 VanDerWaalsContact C-N 3.28Å; G20-R22 PolarHBondContact O-N 2.89Å; R22-F24 HydrophobicContact CB-CE2 4.29Å; R22-P191 HydrophobicContact CB-CB 3.78Å; R22-P191 HydrophobicContact CG-CB 3.67Å; R22-P191 HydrophobicContact CG-CG 3.98Å; R22-P191 PolarHBondContact NH1-O 3.41Å; R22-P191 VanDerWaalsContact NH1-O 3.13Å
23	L	48.1	Very low	44.1	Very low	51 Å²	51	75.7 Å²	75.7	27%	0.267	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116.3	-178.4	-172.9	65.9	0	0	0	111.5	C18 V25 A29 I42	C18-L23 HydrophobicContact CB-CD1 3.96Å; L23-V25 HydrophobicContact CD1-CB 4.32Å; L23-V25 HydrophobicContact CD1-CG2 3.58Å; L23-V25 HydrophobicContact CD2-CB 3.76Å; L23-V25 HydrophobicContact CD2-CG1 4.4Å; L23-V25 HydrophobicContact CD2-CG2 3.67Å; L23-V25 HydrophobicContact CG-CB 3.73Å; L23-V25 HydrophobicContact CG-CG2 3.55Å; L23-V25 PolarHBondContact O-N 3.11Å; L23-A29 HydrophobicContact CD2-CB 3.58Å; L23-I42 HydrophobicContact CB-CD1 3.84Å; L23-I42 HydrophobicContact CD1-CD1 3.76Å; L23-I42 HydrophobicContact CD1-CG2 4.04Å; L23-I42 HydrophobicContact CD2-CD1 4.17Å; L23-I42 HydrophobicContact CD2-CG2 3.76Å; L23-I42 HydrophobicContact CG-CD1 4.12Å; L23-I42 HydrophobicContact CG-CG2 4.48Å
24	F	52.3	Low	44.6	Very low	54 Å²	54	73.8 Å²	73.8	24%	0.237	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	88.6	167.2	-61.6	-90.6	0	0	0	107.6	L17 I19 R22 F194 L198	L17-F24 HydrophobicContact CB-CB 4.09Å; L17-F24 PolarHBondContact N-O 3.23Å; L17-F24 VanDerWaalsContact N-O 3.14Å; L17-F24 WeakPolarHBondContact O-CA 3.19Å; L17-F24 WeakPolarHBondContact O-CB 3.38Å; L17-F24 PolarHBondContact O-N 3.22Å; I19-F24 HydrophobicContact CB-CD2 4.25Å; I19-F24 HydrophobicContact CB-CE2 4.12Å; I19-F24 HydrophobicContact CD1-CD2 4.48Å; I19-F24 HydrophobicContact CG1-CD2 4.4Å; R22-F24 HydrophobicContact CB-CE2 4.29Å; F24-F194 HydrophobicContact CD1-CD1 4.3Å; F24-F194 HydrophobicContact CD1-CE1 4.29Å; F24-F194 AromaticContact CD2-CD1 3.86Å; F24-F194 HydrophobicContact CD2-CD1 3.86Å; F24-F194 HydrophobicContact CD2-CE1 4.04Å; F24-F194 HydrophobicContact CE1-CD1 4.13Å; F24-F194 AromaticContact CE2-CD1 3.68Å; F24-F194 HydrophobicContact CE2-CD1 3.68Å; F24-F194 HydrophobicContact CE2-CE1 4.33Å; F24-F194 HydrophobicContact CG-CD1 4.17Å; F24-F194 HydrophobicContact CG-CE1 4.03Å; F24-F194 AromaticContact CZ-CD1 3.82Å; F24-F194 HydrophobicContact CZ-CD1 3.82Å; F24-L198 HydrophobicContact CD1-CD2 4.15Å
25	V	46.6	Very low	44.3	Very low	34 Å²	34	75.3 Å²	75.3	21%	0.206	36%	0.364	C	S	.	.			trans	-122.8	131.6	-179.5	145	0	0	0	0	112	C16 L23 R27	C16-V25 HydrophobicContact CB-CG2 3.66Å; C16-V25 VanDerWaalsContact SG-CG2 3.51Å; L23-V25 HydrophobicContact CD1-CB 4.32Å; L23-V25 HydrophobicContact CD1-CG2 3.58Å; L23-V25 HydrophobicContact CD2-CB 3.76Å; L23-V25 HydrophobicContact CD2-CG1 4.4Å; L23-V25 HydrophobicContact CD2-CG2 3.67Å; L23-V25 HydrophobicContact CG-CB 3.73Å; L23-V25 HydrophobicContact CG-CG2 3.55Å; L23-V25 PolarHBondContact O-N 3.11Å; V25-R27 WeakPolarHBondContact CG1-O 3.29Å; V25-R27 PolarHBondContact O-N 3.47Å
26	T	47.7	Very low	44.2	Very low	51 Å²	51	81 Å²	81	31%	0.313	40%	0.395	S	S	.	.	S	Bend	trans	-72.3	62.3	167.4	40	0	0	0	0	110.9	A105	T26-A105 HydrophobicContact CG2-CB 4.42Å
27	R	32.8	Very low	43.7	Very low	161 Å²	161	83 Å²	83	61%	0.608	41%	0.409	S	S	*	.	S	Bend	trans	68.1	137.4	-177.4	-78.6	-175	159.3	145.7	3.1	118.3	V25 I102	V25-R27 WeakPolarHBondContact CG1-O 3.29Å; V25-R27 PolarHBondContact O-N 3.47Å; R27-I102 VanDerWaalsContact CZ-O 3.28Å; R27-I102 PolarHBondContact NH1-O 3.05Å; R27-I102 PolarHBondContact NH2-O 2.8Å
28	R	33	Very low	42.8	Very low	235 Å²	235	93.8 Å²	93.8	89%	0.887	45%	0.448	S	S	*	.			trans	63.8	93.5	170.2	-68.6	-175.5	173.6	168.8	-1.2	117.9
29	A	35.3	Very low	41.6	Very low	33 Å²	33	98 Å²	98	27%	0.273	47%	0.47	S	S	.	.			trans	-141.1	158.5	149.7	0	0	0	0	0	109.7	L23 I42 A43 T44	L23-A29 HydrophobicContact CD2-CB 3.58Å; A29-I42 HydrophobicContact CB-CG2 3.6Å; A29-A43 WeakPolarHBondContact CA-O 3.1Å; A29-A43 WeakPolarHBondContact CB-O 3.45Å; A29-T44 HydrophobicContact CB-CG2 3.55Å
30	T	35.1	Very low	40.5	Very low	82 Å²	82	102.8 Å²	102.8	50%	0.503	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	148.2	172.3	41.6	0	0	0	0	111.2	I42 A43	T30-I42 WeakPolarHBondContact O-CA 3.45Å; T30-A43 PolarHBondContact N-O 3.11Å; T30-A43 PolarHBondContact O-N 3.33Å
31	L	32.9	Very low	39.4	Very low	92 Å²	92	106.4 Å²	106.4	48%	0.482	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	112.9	-165.1	-170	153.6	0	0	0	109.9	Y40 I42	L31-Y40 HydrophobicContact CD2-CD1 3.38Å; L31-Y40 HydrophobicContact CD2-CE1 4.06Å; L31-Y40 HydrophobicContact CD2-CG 3.83Å; L31-I42 HydrophobicContact CB-CG1 4.5Å; L31-I42 HydrophobicContact CD1-CD1 4.05Å; L31-I42 HydrophobicContact CD1-CG1 4.34Å; L31-I42 HydrophobicContact CG-CD1 4.35Å; L31-I42 HydrophobicContact CG-CG1 4.1Å
32	Y	33.1	Very low	38.6	Very low	145 Å²	145	107 Å²	107	57%	0.569	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	133.7	-177.4	-71.2	-92.2	0	0	0	110.8	Y40 L41 A43	Y32-Y40 CarbonylContact O-C 3.59Å; Y32-Y40 VanDerWaalsContact O-CA 3.32Å; Y32-Y40 WeakPolarHBondContact O-CA 3.25Å; Y32-L41 PolarHBondContact N-O 3.47Å; Y32-L41 PolarHBondContact O-N 3.37Å; Y32-A43 HydrophobicContact CE2-CB 4.39Å
33	R	36.7	Very low	37.7	Very low	193 Å²	193	102.8 Å²	102.8	73%	0.728	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.8	174	-178.5	178	172.4	-172.2	-3.8	109.6	Y40	R33-Y40 HydrophobicContact CB-CD1 3.89Å; R33-Y40 HydrophobicContact CB-CE1 3.78Å; R33-Y40 HydrophobicContact CG-CD1 4.25Å; R33-Y40 HydrophobicContact CG-CE1 3.84Å
34	L	40	Very low	37.1	Very low	74 Å²	74	101.7 Å²	101.7	39%	0.387	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-78.3	147	171.8	-87	69.2	0	0	0	110.6	S37 L39 L41	L34-S37 WeakPolarHBondContact CB-OG 3.1Å; L34-L39 PolarHBondContact N-O 3.35Å; L34-L41 HydrophobicContact CD1-CB 3.74Å
35	P	33.8	Very low	36.1	Very low	111 Å²	111	108.8 Å²	108.8	72%	0.721	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	153.1	164.9	-24	34.9	0	0	0	112.1	S37	P35-S37 PolarHBondContact O-N 3.15Å; P35-S37 PolarHBondContact O-OG 3.12Å
36	D	40	Very low	35.3	Very low	180 Å²	180	108.8 Å²	108.8	96%	0.963	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	20.1	170.1	-57.3	-26.4	0	0	0	118
37	S	38	Very low	34.3	Very low	43 Å²	43	110.5 Å²	110.5	30%	0.301	54%	0.542	S	S	.	.	S	Bend	trans	-138.3	163.7	176.8	65.1	0	0	0	0	111.8	L34 P35 L39	L34-S37 WeakPolarHBondContact CB-OG 3.1Å; P35-S37 PolarHBondContact O-N 3.15Å; P35-S37 PolarHBondContact O-OG 3.12Å; S37-L39 VanDerWaalsContact C-N 3.25Å
38	R	36.4	Very low	34.1	Very low	246 Å²	246	105.1 Å²	105.1	93%	0.928	53%	0.529	S	S	*	.	S	Bend	trans	-87.8	8.6	169.8	-75	-176.5	165.5	-164.7	-5.6	112.8
39	L	30.2	Very low	33.8	Very low	92 Å²	92	99.7 Å²	99.7	48%	0.482	52%	0.518	S	S	.	.			trans	-89.4	134	-173.6	-71.1	164.4	0	0	0	111.1	L34 S37	L34-L39 PolarHBondContact N-O 3.35Å; S37-L39 VanDerWaalsContact C-N 3.25Å
40	Y	36.9	Very low	33.6	Very low	100 Å²	100	107.2 Å²	107.2	39%	0.392	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.4	170.2	-64.2	-79.1	0	0	0	108.7	L31 Y32 R33	L31-Y40 HydrophobicContact CD2-CD1 3.38Å; L31-Y40 HydrophobicContact CD2-CE1 4.06Å; L31-Y40 HydrophobicContact CD2-CG 3.83Å; Y32-Y40 CarbonylContact O-C 3.59Å; Y32-Y40 VanDerWaalsContact O-CA 3.32Å; Y32-Y40 WeakPolarHBondContact O-CA 3.25Å; R33-Y40 HydrophobicContact CB-CD1 3.89Å; R33-Y40 HydrophobicContact CB-CE1 3.78Å; R33-Y40 HydrophobicContact CG-CD1 4.25Å; R33-Y40 HydrophobicContact CG-CE1 3.84Å
41	L	33.6	Very low	33.3	Very low	109 Å²	109	112.2 Å²	112.2	57%	0.571	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.6	141	172	-163.2	80.1	0	0	0	108.8	Y32 L34	Y32-L41 PolarHBondContact N-O 3.47Å; Y32-L41 PolarHBondContact O-N 3.37Å; L34-L41 HydrophobicContact CD1-CB 3.74Å
42	I	35.6	Very low	33	Very low	30 Å²	30	113.1 Å²	113.1	15%	0.154	58%	0.579	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.3	123.9	-175.9	-63	-177.4	0	0	0	108.6	C18 L23 A29 T30 L31	C18-I42 HydrophobicContact CB-CD1 4.31Å; C18-I42 VanDerWaalsContact SG-CD1 3.56Å; L23-I42 HydrophobicContact CB-CD1 3.84Å; L23-I42 HydrophobicContact CD1-CD1 3.76Å; L23-I42 HydrophobicContact CD1-CG2 4.04Å; L23-I42 HydrophobicContact CD2-CD1 4.17Å; L23-I42 HydrophobicContact CD2-CG2 3.76Å; L23-I42 HydrophobicContact CG-CD1 4.12Å; L23-I42 HydrophobicContact CG-CG2 4.48Å; A29-I42 HydrophobicContact CB-CG2 3.6Å; T30-I42 WeakPolarHBondContact O-CA 3.45Å; L31-I42 HydrophobicContact CB-CG1 4.5Å; L31-I42 HydrophobicContact CD1-CD1 4.05Å; L31-I42 HydrophobicContact CD1-CG1 4.34Å; L31-I42 HydrophobicContact CG-CD1 4.35Å; L31-I42 HydrophobicContact CG-CG1 4.1Å
43	A	34.5	Very low	32.7	Very low	42 Å²	42	113.5 Å²	113.5	35%	0.347	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.5	137.9	-177.9	0	0	0	0	0	110.5	A29 T30 Y32	A29-A43 WeakPolarHBondContact CA-O 3.1Å; A29-A43 WeakPolarHBondContact CB-O 3.45Å; T30-A43 PolarHBondContact N-O 3.11Å; T30-A43 PolarHBondContact O-N 3.33Å; Y32-A43 HydrophobicContact CE2-CB 4.39Å
44	T	35.4	Very low	32.4	Very low	29 Å²	29	110.9 Å²	110.9	18%	0.178	59%	0.589	C	S	.	*			trans	-118.3	138.7	171.5	43.7	0	0	0	0	108.2	A29 P182	A29-T44 HydrophobicContact CB-CG2 3.55Å; T44-P182 HydrophobicContact CG2-CG 4.43Å
45	Q	30.8	Very low	31.6	Very low	203 Å²	203	113 Å²	113	95%	0.949	60%	0.601	S	S	*	*			trans	-87.4	144.9	176.6	-77.1	-178.1	-38.3	0	0	110.7
46	G	29.8	Very low	31.3	Very low	34 Å²	34	117.8 Å²	117.8	35%	0.351	61%	0.607	S	S	.	*			trans	-148.9	135.3	171.4	0	0	0	0	0	112.1	T179	G46-T179 WeakPolarHBondContact CA-OG1 3.34Å; G46-T179 PolarHBondContact O-N 3.29Å; G46-T179 PolarHBondContact O-OG1 3.27Å
47	S	27.1	Very low	30.6	Very low	87 Å²	87	114.7 Å²	114.7	61%	0.608	59%	0.594	S	S	*	*			trans	-96	128.3	169.5	50.8	0	0	0	0	112.4	T179	S47-T179 VanDerWaalsContact C-N 3.34Å; S47-T179 WeakPolarHBondContact CA-OG1 3.45Å; S47-T179 PolarHBondContact N-OG1 2.84Å; S47-T179 WeakPolarHBondContact O-CG2 3.48Å; S47-T179 PolarHBondContact O-OG1 2.98Å
48	S	28.3	Very low	30.2	Very low	48 Å²	48	119.1 Å²	119.1	34%	0.336	62%	0.615	S	S	.	*			trans	-111.3	135.5	169.5	60.3	0	0	0	0	111.3	I177 M178	S48-I177 WeakPolarHBondContact O-CA 3.42Å; S48-I177 VanDerWaalsContact O-CB 3.29Å; S48-I177 WeakPolarHBondContact O-CB 3.15Å; S48-I177 WeakPolarHBondContact O-CG1 3.37Å; S48-I177 WeakPolarHBondContact O-CG2 3.2Å; S48-M178 VanDerWaalsContact CB-C 3.42Å; S48-M178 VanDerWaalsContact CB-O 3.25Å; S48-M178 WeakPolarHBondContact CB-O 3.39Å; S48-M178 VanDerWaalsContact N-C 3.32Å; S48-M178 VanDerWaalsContact N-N 3.13Å; S48-M178 PolarHBondContact OG-N 3.19Å; S48-M178 PolarHBondContact OG-O 2.93Å
49	N	26.6	Very low	29.7	Very low	121 Å²	121	115.8 Å²	115.8	65%	0.647	61%	0.61	S	S	*	*			trans	-147.9	103	167.5	-155.8	19.8	0	0	0	110.2	I177	N49-I177 HydrophobicContact CB-CD1 4.04Å; N49-I177 HydrophobicContact CB-CG1 4.07Å; N49-I177 HydrophobicContact CB-CG2 4.49Å
50	Q	29.8	Very low	29.5	Very low	190 Å²	190	118.7 Å²	118.7	89%	0.888	63%	0.625	S	S	*	*			trans	-177	140.9	134.2	-100.8	165.1	-2.5	0	0	110
51	E	29.4	Very low	28.9	Very low	188 Å²	188	121.6 Å²	121.6	88%	0.879	65%	0.647	S	S	*	*			trans	-86.3	155.9	-173.8	-65	169.9	115.5	0	0	112
52	S	26.6	Very low	28.7	Very low	111 Å²	111	122.5 Å²	122.5	78%	0.776	66%	0.657	S	S	*	*			trans	-70.4	146.6	170.9	54.3	0	0	0	0	111.9
53	N	27	Very low	28.2	Very low	152 Å²	152	123.9 Å²	123.9	81%	0.813	68%	0.678	S	S	*	*			trans	-153.6	147.2	155.2	-121.5	-37.2	0	0	0	114.2
54	I	29.6	Very low	27.8	Very low	138 Å²	138	128.8 Å²	128.8	71%	0.708	70%	0.699	S	S	*	*			trans	73.6	100.5	162.9	-54.5	160.6	0	0	0	117.8
55	N	24.7	Very low	27.4	Very low	120 Å²	120	133.8 Å²	133.8	64%	0.642	72%	0.724	S	S	*	*				9.7	148.8	129	-49.8	-9.4	0	0	0	118.6
56	Y	27.7	Very low	27.2	Very low	211 Å²	211	131.9 Å²	131.9	83%	0.827	71%	0.713	S	S	*	*			cis	-151.8	174.3	46.9	-88	-83.8	0	0	0	114.5
57	T	24.4	Very low	27.2	Very low	115 Å²	115	135.6 Å²	135.6	71%	0.706	72%	0.724	S	S	*	*			trans	-88	177.3	178.1	53.7	0	0	0	0	113.9
58	N	29.4	Very low	27.3	Very low	136 Å²	136	139.9 Å²	139.9	73%	0.727	73%	0.731	S	S	*	*			trans	89.1	114.3	176.7	-47.9	-8.5	0	0	0	112.1
59	Q	27.1	Very low	27.5	Very low	176 Å²	176	142.6 Å²	142.6	82%	0.822	75%	0.75	S	S	*	*				53.2	111.2	74.5	-62.1	-170.7	-3.1	0	0	110.9
60	L	24.9	Very low	27.6	Very low	153 Å²	153	143.7 Å²	143.7	80%	0.801	75%	0.754	S	S	*	*				-151.6	166.6	55.8	-107.8	95.7	0	0	0	113.3
61	N	25.1	Very low	27.7	Very low	160 Å²	160	142 Å²	142	86%	0.856	75%	0.75	S	S	*	*			trans	-82.9	123.8	157.9	-80.3	-6.7	0	0	0	110.3
62	V	28.1	Very low	27.8	Very low	128 Å²	128	135.8 Å²	135.8	78%	0.776	74%	0.737	S	S	*	*			trans	-140.4	148.8	143.6	-172.9	0	0	0	0	106.3
63	G	25.8	Very low	28	Very low	59 Å²	59	137.7 Å²	137.7	61%	0.608	74%	0.739	S	S	*	*			trans	-91.3	-144.6	174.7	0	0	0	0	0	112.5
64	D	26.5	Very low	28.1	Very low	146 Å²	146	137 Å²	137	78%	0.781	74%	0.735	S	S	*	*			trans	71.6	108.6	160.3	-49.5	-23.4	0	0	0	118.2
65	D	27.6	Very low	28.1	Very low	133 Å²	133	135 Å²	135	71%	0.711	73%	0.733	S	S	*	*				107	132.5	119.8	-88.1	-15.4	0	0	0	123.1
66	F	26.6	Very low	28.3	Very low	164 Å²	164	137.3 Å²	137.3	72%	0.719	74%	0.74	S	S	*	*			trans	75.9	153	143.7	-80	-144	0	0	0	120.7
67	I	29	Very low	28.3	Very low	111 Å²	111	132.9 Å²	132.9	57%	0.569	74%	0.735	S	S	*	*			cis	-169.6	158.2	-37.3	-132.1	170.1	0	0	0	109.9
68	K	28.8	Very low	28.4	Very low	177 Å²	177	133.2 Å²	133.2	77%	0.77	74%	0.737	S	S	*	*			trans	67.2	158.7	176	-69.1	147.9	-168.1	169.3	0	115.4
69	S	32.4	Very low	28.3	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	73%	0.734	S	S	*	*			cis	-111.1	146.8	4.2	58.6	0	0	0	0	111.8
70	M	29	Very low	28.2	Very low	145 Å²	145	131 Å²	131	71%	0.714	73%	0.73	S	S	*	*				52.9	123	67.9	-77.5	175.4	151.8	0	0	112
71	N	32.1	Very low	28.3	Very low	153 Å²	153	133.5 Å²	133.5	82%	0.818	73%	0.731	S	S	*	*			cis	-141.9	164.9	5.3	-66.2	-51.7	0	0	0	109.6
72	G	31.4	Very low	28.2	Very low	59 Å²	59	134.2 Å²	134.2	61%	0.608	73%	0.734	S	S	*	*			cis	160.5	160	-4.8	0	0	0	0	0	111.6
73	N	30.2	Very low	28.1	Very low	151 Å²	151	133.4 Å²	133.4	81%	0.807	73%	0.733	S	S	*	*			trans	64.4	138.8	167.9	-56.5	4.8	0	0	0	117.5
74	N	29.9	Very low	28	Very low	136 Å²	136	139.8 Å²	139.8	73%	0.727	75%	0.747	S	S	*	*			cis	-155.7	165.5	-6	-101.8	-8.6	0	0	0	109.7
75	S	29.7	Very low	28.1	Very low	96 Å²	96	138 Å²	138	67%	0.671	75%	0.746	S	S	*	*			trans	25.1	141.4	150.8	61.8	0	0	0	0	121.9
76	E	29	Very low	27.9	Very low	170 Å²	170	140.7 Å²	140.7	79%	0.794	75%	0.754	S	S	*	*			cis	-164.2	133.9	-8.6	-115.6	169.1	130.2	0	0	106.1
77	V	26.7	Very low	28	Very low	118 Å²	118	139.6 Å²	139.6	72%	0.715	76%	0.761	S	S	*	*				67.1	138.6	101.5	179.9	0	0	0	0	116
78	T	27	Very low	27.7	Very low	121 Å²	121	140.7 Å²	140.7	74%	0.742	78%	0.779	S	S	*	*			trans	63.1	81.3	169.3	41.5	0	0	0	0	120.4
79	S	26.8	Very low	27.7	Very low	97 Å²	97	135.7 Å²	135.7	68%	0.678	78%	0.778	S	S	*	*				57.3	131.5	108.6	70.8	0	0	0	0	123
80	K	26.1	Very low	27.2	Very low	168 Å²	168	141.4 Å²	141.4	73%	0.73	78%	0.783	S	S	*	*			trans	81.1	110.2	133.1	-86.3	-178.8	168.6	-174.9	0	120.4
81	Y	25.9	Very low	27	Very low	207 Å²	207	141.4 Å²	141.4	81%	0.812	79%	0.785	S	S	*	*			trans	83.3	139.3	152	-59.9	-66	0	0	0	119.3
82	L	24.2	Very low	26.8	Very low	175 Å²	175	141.3 Å²	141.3	92%	0.916	79%	0.79	S	S	*	*			trans	76.8	85.6	162.7	-132.8	77.1	0	0	0	120.3
83	S	25.5	Very low	26.5	Very low	110 Å²	110	141 Å²	141	77%	0.769	79%	0.787	S	S	*	*			trans	-165.3	124.1	148.1	37.8	0	0	0	0	108.4
84	Q	24.9	Very low	26.5	Very low	194 Å²	194	142.2 Å²	142.2	91%	0.907	79%	0.793	S	S	*	*				72.3	98.4	78.3	-70.8	-174.9	-0.2	0	0	115.9
85	S	27.2	Very low	26.4	Very low	107 Å²	107	139.3 Å²	139.3	75%	0.748	80%	0.796	S	S	*	*			trans	175.7	120.1	146.8	55.6	0	0	0	0	106.6
86	Q	24.5	Very low	26.6	Very low	191 Å²	191	140.1 Å²	140.1	89%	0.893	80%	0.799	S	S	*	*			cis	48.8	80.3	35.2	-76.7	-148.1	45.8	0	0	114
87	T	27.3	Very low	26.8	Very low	140 Å²	140	138.8 Å²	138.8	86%	0.859	80%	0.797	S	S	*	*			trans	-159	134.6	141.3	33.3	0	0	0	0	110.1
88	S	24.4	Very low	26.8	Very low	134 Å²	134	141 Å²	141	94%	0.937	81%	0.805	S	S	*	*			trans	-92.5	144.3	167.5	-62.1	0	0	0	0	110.5
89	G	27	Very low	26.8	Very low	73 Å²	73	139 Å²	139	75%	0.753	81%	0.808	S	S	*	*			trans	165.6	103.6	175.9	0	0	0	0	0	109.1
90	R	22.8	Very low	26.8	Very low	225 Å²	225	139 Å²	139	85%	0.849	81%	0.814	S	S	*	*			cis	76.9	100.8	35.4	-161.4	-175.4	-173.1	-165.9	2.7	113.9
91	L	24	Very low	26.6	Very low	144 Å²	144	139.5 Å²	139.5	75%	0.754	82%	0.824	S	S	*	*			trans	62.9	115.1	156.3	-66.6	169.1	0	0	0	119
92	V	28.5	Very low	26.5	Very low	151 Å²	151	135.9 Å²	135.9	92%	0.915	82%	0.818	S	S	*	*				166.5	139.4	129.8	154.6	0	0	0	0	105.8
93	G	24.6	Very low	26.6	Very low	54 Å²	54	130.4 Å²	130.4	56%	0.557	80%	0.803	S	S	*	*			cis	155.5	140.4	-4.2	0	0	0	0	0	110.4
94	N	30.8	Very low	26.5	Very low	175 Å²	175	129.6 Å²	129.6	94%	0.936	81%	0.812	S	S	*	*			trans	75.1	135.6	177	-49.6	-25.5	0	0	0	116.9
95	G	27.8	Very low	26.5	Very low	76 Å²	76	123 Å²	123	78%	0.784	79%	0.791	S	S	*	*			trans	-109.3	-132.9	173.7	0	0	0	0	0	110.9
96	P	34.2	Very low	26.6	Very low	113 Å²	113	121.6 Å²	121.6	73%	0.734	78%	0.781	S	S	*	*			cis	-123.5	176.9	0.4	40.4	-25.8	0	0	0	114
97	N	32.5	Very low	26.8	Very low	142 Å²	142	119.4 Å²	119.4	76%	0.759	77%	0.774	S	S	*	*			trans	163.8	122.1	135.5	-81.7	-12.5	0	0	0	112.1
98	D	27.4	Very low	27.1	Very low	164 Å²	164	114.6 Å²	114.6	88%	0.877	74%	0.743	S	S	*	*			trans	25	142.6	148.6	-50.9	-21.3	0	0	0	123.4
99	G	26.5	Very low	27.6	Very low	78 Å²	78	111.3 Å²	111.3	80%	0.804	72%	0.718	S	S	*	*			trans	151.6	69.7	148.2	0	0	0	0	0	121
100	A	26.3	Very low	27.9	Very low	98 Å²	98	113.7 Å²	113.7	81%	0.81	71%	0.714	S	S	*	*			trans	43.6	92	149.7	0	0	0	0	0	120.6	I102	A100-I102 PolarHBondContact O-N 3.24Å; A100-I102 VanDerWaalsContact O-N 3.14Å
101	L	22.7	Very low	28.6	Very low	179 Å²	179	107.9 Å²	107.9	94%	0.937	70%	0.7	S	S	*	*			trans	-73.3	91.8	167.5	-178.4	81.4	0	0	0	112.9
102	I	24.2	Very low	29.5	Very low	131 Å²	131	103 Å²	103	67%	0.672	67%	0.674	S	S	*	*			trans	-142.3	117.4	163.6	-55.7	176	0	0	0	112.2	R27 A100	R27-I102 VanDerWaalsContact CZ-O 3.28Å; R27-I102 PolarHBondContact NH1-O 3.05Å; R27-I102 PolarHBondContact NH2-O 2.8Å; A100-I102 PolarHBondContact O-N 3.24Å; A100-I102 VanDerWaalsContact O-N 3.14Å
103	G	24.8	Very low	30.1	Very low	60 Å²	60	96.3 Å²	96.3	62%	0.619	63%	0.634	S	S	*	*			trans	97.2	96.9	158.4	0	0	0	0	0	115.5	A105	G103-A105 PolarHBondContact O-N 2.87Å
104	G	24	Very low	30.9	Very low	93 Å²	93	97.2 Å²	97.2	96%	0.959	63%	0.632	S	S	*	*			trans	-72.5	104.5	-178.7	0	0	0	0	0	113.9
105	A	26	Very low	31.4	Very low	56 Å²	56	94.9 Å²	94.9	46%	0.463	62%	0.617	S	S	.	*			trans	-132.9	102.9	163.4	0	0	0	0	0	108.4	T26 G103 I107	T26-A105 HydrophobicContact CG2-CB 4.42Å; G103-A105 PolarHBondContact O-N 2.87Å; A105-I107 PolarHBondContact O-N 3.02Å
106	S	27.4	Very low	32.4	Very low	76 Å²	76	92.4 Å²	92.4	53%	0.531	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-66.1	129.9	173.4	39.7	0	0	0	0	110.2
107	I	29.1	Very low	33.1	Very low	146 Å²	146	88.1 Å²	88.1	75%	0.749	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-64.2	135.1	174.3	-62.9	170.7	0	0	0	108.1	A105 P109	A105-I107 PolarHBondContact O-N 3.02Å; I107-P109 WeakPolarHBondContact O-CD 3.35Å
108	L	34.6	Very low	33.5	Very low	39 Å²	39	84.6 Å²	84.6	20%	0.204	56%	0.558	C	S	.	*	P	Polyproline II helix	trans	-82.8	120.9	170.9	-147.5	77.5	0	0	0	107.8	I112 A113 L198 R202	L108-I112 HydrophobicContact CD1-CG2 4.31Å; L108-I112 HydrophobicContact CD2-CB 4.47Å; L108-I112 HydrophobicContact CD2-CG2 3.93Å; L108-I112 HydrophobicContact CG-CB 4.24Å; L108-I112 HydrophobicContact CG-CG2 3.94Å; L108-A113 HydrophobicContact CD2-CB 4.37Å; L108-L198 HydrophobicContact CD1-CD1 4.1Å; L108-R202 HydrophobicContact CD1-CG 4.46Å
109	P	34.1	Very low	34.2	Very low	64 Å²	64	82.5 Å²	82.5	42%	0.416	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-55.9	143.2	175.7	-29.6	38.1	0	0	0	112.9	I107 N111 I112 A113	I107-P109 WeakPolarHBondContact O-CD 3.35Å; P109-N111 WeakPolarHBondContact CB-OD1 3.26Å; P109-N111 PolarHBondContact O-N 3.48Å; P109-N111 VanDerWaalsContact O-N 3.11Å; P109-I112 HydrophobicContact CB-CG1 4.44Å; P109-I112 HydrophobicContact CG-CD1 4.35Å; P109-I112 WeakPolarHBondContact O-CA 3.48Å; P109-I112 PolarHBondContact O-N 3.37Å; P109-A113 PolarHBondContact O-N 3.26Å
110	D	33.5	Very low	34.8	Very low	124 Å²	124	81.9 Å²	81.9	66%	0.663	52%	0.524	S	S	*	.	H	α-helix	trans	-59	-30.2	-171.7	-55.9	-38.5	0	0	0	113.5	S114	D110-S114 WeakPolarHBondContact O-CB 3.47Å; D110-S114 PolarHBondContact O-N 2.78Å; D110-S114 PolarHBondContact O-OG 3.15Å
111	N	38.4	Very low	35.1	Very low	103 Å²	103	85.8 Å²	85.8	55%	0.551	53%	0.531	S	S	*	.	H	α-helix	trans	-69.2	-35.2	173.6	63.3	-31.9	0	0	0	112.9	P109 S114 M115	P109-N111 WeakPolarHBondContact CB-OD1 3.26Å; P109-N111 PolarHBondContact O-N 3.48Å; P109-N111 VanDerWaalsContact O-N 3.11Å; N111-S114 PolarHBondContact O-OG 3.41Å; N111-S114 VanDerWaalsContact O-OG 3.11Å; N111-M115 VanDerWaalsContact O-CG 3.26Å; N111-M115 WeakPolarHBondContact O-CG 3.37Å; N111-M115 PolarHBondContact O-N 2.89Å
112	I	41.3	Very low	35.7	Very low	42 Å²	42	81.6 Å²	81.6	22%	0.215	51%	0.509	C	S	.	.	H	α-helix	trans	-73.7	-39.6	174.6	-59.6	-175.6	0	0	0	109.7	L108 P109 S114 M115 V116 Y201	L108-I112 HydrophobicContact CD1-CG2 4.31Å; L108-I112 HydrophobicContact CD2-CB 4.47Å; L108-I112 HydrophobicContact CD2-CG2 3.93Å; L108-I112 HydrophobicContact CG-CB 4.24Å; L108-I112 HydrophobicContact CG-CG2 3.94Å; P109-I112 HydrophobicContact CB-CG1 4.44Å; P109-I112 HydrophobicContact CG-CD1 4.35Å; P109-I112 WeakPolarHBondContact O-CA 3.48Å; P109-I112 PolarHBondContact O-N 3.37Å; I112-S114 PolarHBondContact O-N 3.11Å; I112-M115 PolarHBondContact O-N 3.06Å; I112-V116 WeakPolarHBondContact O-CG2 3.43Å; I112-V116 PolarHBondContact O-N 2.99Å; I112-Y201 HydrophobicContact CG2-CD1 3.99Å; I112-Y201 HydrophobicContact CG2-CG 4.35Å
113	A	41.4	Very low	36	Very low	10 Å²	10	82.7 Å²	82.7	8%	0.083	51%	0.511	C	S	.	.	H	α-helix	trans	-63.4	-39.7	174.8	0	0	0	0	0	112.5	I15 L108 P109 V116 A117	I15-A113 HydrophobicContact CD1-CB 3.54Å; L108-A113 HydrophobicContact CD2-CB 4.37Å; P109-A113 PolarHBondContact O-N 3.26Å; A113-V116 PolarHBondContact O-N 2.98Å; A113-A117 WeakPolarHBondContact O-CB 3.41Å; A113-A117 PolarHBondContact O-N 2.98Å
114	S	41.2	Very low	36.4	Very low	73 Å²	73	81.3 Å²	81.3	51%	0.51	49%	0.492	S	S	.	.	H	α-helix	trans	-71.7	-29.1	174.6	70.4	0	0	0	0	113.3	D110 N111 I112 G118	D110-S114 WeakPolarHBondContact O-CB 3.47Å; D110-S114 PolarHBondContact O-N 2.78Å; D110-S114 PolarHBondContact O-OG 3.15Å; N111-S114 PolarHBondContact O-OG 3.41Å; N111-S114 VanDerWaalsContact O-OG 3.11Å; I112-S114 PolarHBondContact O-N 3.11Å; S114-G118 WeakPolarHBondContact O-CA 3.42Å; S114-G118 PolarHBondContact O-N 3.17Å
115	M	42.3	Very low	36.9	Very low	125 Å²	125	79.1 Å²	79.1	62%	0.616	47%	0.465	S	S	*	.	H	α-helix	trans	-66.2	-41.2	168.6	-76.3	174.5	67.2	0	0	112.6	N111 I112	N111-M115 VanDerWaalsContact O-CG 3.26Å; N111-M115 WeakPolarHBondContact O-CG 3.37Å; N111-M115 PolarHBondContact O-N 2.89Å; I112-M115 PolarHBondContact O-N 3.06Å
116	V	48.3	Very low	37.4	Very low	24 Å²	24	78.4 Å²	78.4	15%	0.145	46%	0.457	C	S	.	.	H	α-helix	trans	-69.2	-36	177.7	171.9	0	0	0	0	111.8	I112 A113 Y201	I112-V116 WeakPolarHBondContact O-CG2 3.43Å; I112-V116 PolarHBondContact O-N 2.99Å; A113-V116 PolarHBondContact O-N 2.98Å; V116-Y201 HydrophobicContact CG2-CD1 4.37Å; V116-Y201 HydrophobicContact CG2-CD2 4.15Å; V116-Y201 HydrophobicContact CG2-CE1 4.14Å; V116-Y201 HydrophobicContact CG2-CE2 3.92Å; V116-Y201 HydrophobicContact CG2-CG 4.39Å
117	A	48.3	Very low	37.9	Very low	23 Å²	23	76.4 Å²	76.4	19%	0.19	44%	0.443	C	S	.	.	H	α-helix	trans	-84.1	-36.4	179.1	0	0	0	0	0	114	A113 N119 Y185	A113-A117 WeakPolarHBondContact O-CB 3.41Å; A113-A117 PolarHBondContact O-N 2.98Å; A117-N119 VanDerWaalsContact C-N 3.29Å; A117-N119 PolarHBondContact O-N 3.41Å; A117-Y185 HydrophobicContact CB-CE1 4.01Å; A117-Y185 HydrophobicContact CB-CE2 4.33Å
118	G	41.8	Very low	38.3	Very low	68 Å²	68	73.7 Å²	73.7	70%	0.701	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-7.4	-167	0	0	0	0	0	116.1	S114	S114-G118 WeakPolarHBondContact O-CA 3.42Å; S114-G118 PolarHBondContact O-N 3.17Å
119	N	42.8	Very low	38.3	Very low	120 Å²	120	76.1 Å²	76.1	64%	0.642	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	1.1	-174	-151.8	5.5	0	0	0	114	A117	A117-N119 VanDerWaalsContact C-N 3.29Å; A117-N119 PolarHBondContact O-N 3.41Å
120	M	38.7	Very low	38.4	Very low	66 Å²	66	81 Å²	81	33%	0.325	46%	0.458	S	S	.	.	S	Bend	trans	-146.3	141.7	-177.9	-71.1	-175.7	-87.3	0	0	113.8	L122 Y187 F223	M120-L122 VanDerWaalsContact C-N 3.34Å; M120-L122 HydrophobicContact CB-CD1 3.8Å; M120-L122 HydrophobicContact CB-CG 3.84Å; M120-L122 HydrophobicContact CE-CD1 4.15Å; M120-L122 PolarHBondContact O-N 3.14Å; M120-L122 HydrophobicContact SD-CD1 4.23Å; M120-Y187 HydrophobicContact CE-CE1 4.3Å; M120-F223 HydrophobicContact CE-CE2 3.79Å; M120-F223 HydrophobicContact CE-CZ 3.83Å; M120-F223 HydrophobicContact SD-CD2 4.35Å; M120-F223 HydrophobicContact SD-CE2 3.62Å; M120-F223 HydrophobicContact SD-CZ 4.22Å
121	N	33.3	Very low	38.5	Very low	180 Å²	180	81.5 Å²	81.5	96%	0.963	46%	0.461	S	S	*	.			trans	-71	83.5	170	-74.3	-35.1	0	0	0	110.9
122	L	33.5	Very low	38.3	Very low	91 Å²	91	87 Å²	87	48%	0.476	47%	0.474	S	S	.	.			trans	-117.6	128.7	-178.3	-69.3	170.5	0	0	0	111.9	M120 Y187	M120-L122 VanDerWaalsContact C-N 3.34Å; M120-L122 HydrophobicContact CB-CD1 3.8Å; M120-L122 HydrophobicContact CB-CG 3.84Å; M120-L122 HydrophobicContact CE-CD1 4.15Å; M120-L122 PolarHBondContact O-N 3.14Å; M120-L122 HydrophobicContact SD-CD1 4.23Å; L122-Y187 HydrophobicContact CD1-CE1 3.77Å
123	Q	32	Very low	37.9	Very low	153 Å²	153	88.5 Å²	88.5	72%	0.715	50%	0.5	S	S	*	.			trans	-80.9	141.8	170.2	-69.2	-174.9	3.5	0	0	110
124	S	32.8	Very low	37.3	Very low	31 Å²	31	92.9 Å²	92.9	22%	0.217	53%	0.53	C	S	.	.			trans	-71.9	152.1	176.9	68.9	0	0	0	0	111.3	S126 S127 I128	S124-S126 WeakPolarHBondContact CB-OG 3.46Å; S124-S126 PolarHBondContact O-N 3.02Å; S124-S126 VanDerWaalsContact O-N 3.15Å; S124-S126 PolarHBondContact OG-OG 3.47Å; S124-S127 PolarHBondContact O-N 2.97Å; S124-S127 PolarHBondContact O-OG 3.14Å; S124-S127 PolarHBondContact OG-N 3Å; S124-S127 VanDerWaalsContact OG-N 3.11Å; S124-I128 PolarHBondContact O-N 3.12Å
125	A	35.3	Very low	36.7	Very low	48 Å²	48	92.5 Å²	92.5	40%	0.397	54%	0.537	S	S	.	.	H	α-helix	trans	-57.2	-30.6	171	0	0	0	0	0	111.8	I128 C129	A125-I128 PolarHBondContact O-N 2.98Å; A125-C129 PolarHBondContact O-N 2.95Å; A125-C129 VanDerWaalsContact O-N 3.17Å
126	S	35	Very low	36	Very low	41 Å²	41	97 Å²	97	29%	0.287	55%	0.554	S	S	.	*	H	α-helix	trans	-69	-28.6	176.2	52.8	0	0	0	0	114.3	S124 R130	S124-S126 WeakPolarHBondContact CB-OG 3.46Å; S124-S126 PolarHBondContact O-N 3.02Å; S124-S126 VanDerWaalsContact O-N 3.15Å; S124-S126 PolarHBondContact OG-OG 3.47Å; S126-R130 WeakPolarHBondContact O-CB 3.42Å; S126-R130 WeakPolarHBondContact O-CG 3.49Å; S126-R130 PolarHBondContact O-N 3Å
127	S	37.5	Very low	35.1	Very low	33 Å²	33	101.8 Å²	101.8	23%	0.231	58%	0.583	C	S	.	*	H	α-helix	trans	-75	-35	173.4	69.3	0	0	0	0	112.2	S124 C129 R130 N131	S124-S127 PolarHBondContact O-N 2.97Å; S124-S127 PolarHBondContact O-OG 3.14Å; S124-S127 PolarHBondContact OG-N 3Å; S124-S127 VanDerWaalsContact OG-N 3.11Å; S127-C129 VanDerWaalsContact C-N 3.35Å; S127-R130 PolarHBondContact O-N 3.14Å; S127-N131 PolarHBondContact O-N 3Å; S127-N131 VanDerWaalsContact O-N 3.15Å
128	I	38	Very low	34.1	Very low	90 Å²	90	107.6 Å²	107.6	46%	0.462	61%	0.611	S	S	.	*	H	α-helix	trans	-64.6	-40	175.7	-60.6	175	0	0	0	110.8	S124 A125	S124-I128 PolarHBondContact O-N 3.12Å; A125-I128 PolarHBondContact O-N 2.98Å
129	C	35.4	Very low	33.7	Very low	90 Å²	90	110 Å²	110	61%	0.608	62%	0.615	S	S	*	*	H	α-helix	trans	-72.4	-42.9	175.7	-67.9	0	0	0	0	112.9	A125 S127 N131 R132 G133	A125-C129 PolarHBondContact O-N 2.95Å; A125-C129 VanDerWaalsContact O-N 3.17Å; S127-C129 VanDerWaalsContact C-N 3.35Å; C129-N131 VanDerWaalsContact C-N 3.31Å; C129-N131 PolarHBondContact O-N 3.2Å; C129-R132 PolarHBondContact O-N 2.76Å; C129-R132 VanDerWaalsContact O-N 3.14Å; C129-G133 PolarHBondContact O-N 2.98Å
130	R	35.2	Very low	33	Very low	165 Å²	165	111.2 Å²	111.2	62%	0.623	62%	0.62	S	S	*	*	H	α-helix	trans	-57.6	-42.6	178	-82.8	177.9	169.4	170.1	-3.9	112	S126 S127 R132 G133	S126-R130 WeakPolarHBondContact O-CB 3.42Å; S126-R130 WeakPolarHBondContact O-CG 3.49Å; S126-R130 PolarHBondContact O-N 3Å; S127-R130 PolarHBondContact O-N 3.14Å; R130-R132 PolarHBondContact O-N 2.87Å; R130-R132 VanDerWaalsContact O-N 3.12Å; R130-G133 PolarHBondContact O-N 3.44Å
131	N	35.3	Very low	32.8	Very low	135 Å²	135	114.2 Å²	114.2	72%	0.722	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	7.5	-179.3	-69	1.5	0	0	0	114.9	S127 C129	S127-N131 PolarHBondContact O-N 3Å; S127-N131 VanDerWaalsContact O-N 3.15Å; C129-N131 VanDerWaalsContact C-N 3.31Å; C129-N131 PolarHBondContact O-N 3.2Å
132	R	34.9	Very low	32.5	Very low	218 Å²	218	112.4 Å²	112.4	82%	0.823	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	-3.8	173.5	-72.6	-175.5	171.3	-176.5	-2.3	114.3	C129 R130	C129-R132 PolarHBondContact O-N 2.76Å; C129-R132 VanDerWaalsContact O-N 3.14Å; R130-R132 PolarHBondContact O-N 2.87Å; R130-R132 VanDerWaalsContact O-N 3.12Å
133	G	32.4	Very low	32.4	Very low	74 Å²	74	114.1 Å²	114.1	76%	0.763	65%	0.648	S	S	*	*	S	Bend	trans	-89.5	-14.2	177.8	0	0	0	0	0	115.3	C129 R130	C129-G133 PolarHBondContact O-N 2.98Å; R130-G133 PolarHBondContact O-N 3.44Å
134	S	29.9	Very low	32.4	Very low	102 Å²	102	112.3 Å²	112.3	71%	0.713	65%	0.653	S	S	*	*	S	Bend	trans	-134.9	81.6	-172.5	58	0	0	0	0	111.1
135	G	29	Very low	32.5	Very low	65 Å²	65	120.5 Å²	120.5	67%	0.67	69%	0.687	S	S	*	*			trans	-164.4	14.9	-172.6	0	0	0	0	0	117.1	T137	G135-T137 VanDerWaalsContact C-N 3.33Å; G135-T137 PolarHBondContact O-N 3.5Å
136	F	26.7	Very low	32.2	Very low	219 Å²	219	121 Å²	121	96%	0.961	70%	0.696	S	S	*	*			trans	-94	58.7	174.1	-105.8	-78.4	0	0	0	111.5
137	T	29.7	Very low	32.1	Very low	125 Å²	125	126.4 Å²	126.4	77%	0.767	72%	0.721	S	S	*	*	S	Bend	trans	-136	138.9	169	47.3	0	0	0	0	109.7	G135	G135-T137 VanDerWaalsContact C-N 3.33Å; G135-T137 PolarHBondContact O-N 3.5Å
138	N	27.4	Very low	31.8	Very low	145 Å²	145	131.3 Å²	131.3	78%	0.775	74%	0.744	S	S	*	*			trans	-73.9	136	-162.1	-56.3	-46.3	0	0	0	113.9	I140	N138-I140 HydrophobicContact CB-CG1 4.1Å
139	P	32.6	Very low	31.5	Very low	120 Å²	120	133.3 Å²	133.3	78%	0.779	76%	0.755	S	S	*	*			trans	-93	93.2	151.7	33.5	-26.7	0	0	0	109.7	V141	P139-V141 PolarHBondContact O-N 3.01Å
140	I	29	Very low	31.2	Very low	145 Å²	145	138.1 Å²	138.1	74%	0.744	76%	0.762	S	S	*	*			trans	-77.3	104	171.3	-61.8	177.9	0	0	0	108.7	N138	N138-I140 HydrophobicContact CB-CG1 4.1Å
141	V	33.7	Very low	31.1	Very low	129 Å²	129	138 Å²	138	78%	0.782	77%	0.769	S	S	*	*			trans	-136.7	100.1	170.2	-177.5	0	0	0	0	109.6	P139	P139-V141 PolarHBondContact O-N 3.01Å
142	N	27.4	Very low	31	Very low	142 Å²	142	136.5 Å²	136.5	76%	0.759	77%	0.768	S	S	*	*			trans	-63.3	155.5	160	-79	-18.6	0	0	0	109.5
143	P	30.8	Very low	31.1	Very low	126 Å²	126	130.5 Å²	130.5	82%	0.818	76%	0.76	S	S	*	*			cis	-148	151.5	38.1	39.4	-19.1	0	0	0	119
144	S	31.9	Very low	31.3	Very low	115 Å²	115	131.4 Å²	131.4	80%	0.804	75%	0.754	S	S	*	*			trans	-155.3	129.2	149.9	55.8	0	0	0	0	111.6
145	H	34.5	Very low	31.4	Very low	204 Å²	204	133.2 Å²	133.2	94%	0.944	76%	0.756	S	S	*	*			trans	-70.9	152.5	167.1	-89.1	-105.4	0	0	0	111.3
146	G	30	Very low	31.7	Very low	57 Å²	57	138.6 Å²	138.6	59%	0.588	76%	0.761	S	S	*	*			trans	116.2	103.9	174.7	0	0	0	0	0	111.3
147	I	32.8	Very low	32.2	Very low	156 Å²	156	133.4 Å²	133.4	80%	0.8	75%	0.752	S	S	*	*				60.1	111.1	66.9	-54.8	168	0	0	0	109.7
148	D	30.8	Very low	32.4	Very low	136 Å²	136	134.1 Å²	134.1	73%	0.727	76%	0.756	S	S	*	*			cis	-158.2	-165.4	-8	-111.3	-30.3	0	0	0	107.6
149	L	32.1	Very low	32.9	Very low	131 Å²	131	132.4 Å²	132.4	69%	0.686	75%	0.753	S	S	*	*			cis	-160.9	136.7	25.3	-123.3	117.7	0	0	0	110
150	Y	30	Very low	32.8	Very low	192 Å²	192	133.8 Å²	133.8	75%	0.753	75%	0.753	S	S	*	*			trans	64.5	155.5	143.5	-81.2	-136.2	0	0	0	119.1
151	Q	33	Very low	33	Very low	163 Å²	163	134.5 Å²	134.5	76%	0.762	76%	0.757	S	S	*	*			cis	-157.4	156.8	0.2	-145.7	172.4	-18.3	0	0	111.8
152	S	32.7	Very low	32.9	Very low	102 Å²	102	133.4 Å²	133.4	71%	0.713	76%	0.755	S	S	*	*			trans	64.5	136.5	147.4	170.2	0	0	0	0	120.6
153	S	36.1	Very low	33.4	Very low	93 Å²	93	132.1 Å²	132.1	65%	0.65	76%	0.755	S	S	*	*			cis	-169.2	165.2	-13.3	49.3	0	0	0	0	111.3
154	S	36.7	Very low	33.2	Very low	92 Å²	92	132.3 Å²	132.3	64%	0.643	75%	0.754	S	S	*	*			trans	25	144.6	148.6	53.8	0	0	0	0	121.5
155	N	32.7	Very low	33.1	Very low	141 Å²	141	131.7 Å²	131.7	75%	0.754	75%	0.75	S	S	*	*			cis	-171.5	168.6	6.9	-104.9	-26	0	0	0	106.1
156	K	35.4	Very low	32.9	Very low	177 Å²	177	127.5 Å²	127.5	77%	0.77	74%	0.738	S	S	*	*			cis	-166.3	161	22.1	-130.8	165	-174.1	179.9	0	110.3
157	S	36.4	Very low	33	Very low	110 Å²	110	132 Å²	132	77%	0.769	75%	0.749	S	S	*	*			trans	53.1	101.2	153.9	54.5	0	0	0	0	122.6
158	V	35.5	Very low	33.1	Very low	141 Å²	141	133.1 Å²	133.1	86%	0.855	75%	0.751	S	S	*	*			trans	-65.8	-174.3	137.2	-102.3	0	0	0	0	111.3
159	P	37.8	Very low	32.9	Very low	109 Å²	109	135.6 Å²	135.6	71%	0.708	76%	0.755	S	S	*	*			cis	-126.1	-160.5	2.6	22.8	5.6	0	0	0	112.4
160	L	29.3	Very low	33	Very low	149 Å²	149	134.4 Å²	134.4	78%	0.78	75%	0.753	S	S	*	*			cis	-168.5	175.7	36.1	-162.9	73.2	0	0	0	111.9
161	L	33.5	Very low	33.2	Very low	159 Å²	159	133.2 Å²	133.2	83%	0.832	76%	0.755	S	S	*	*			trans	81.2	97.5	164.9	-68.8	155.6	0	0	0	119
162	S	31.5	Very low	33	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	76%	0.756	S	S	*	*			trans	-85.4	175.5	148	56.8	0	0	0	0	109.8
163	P	36.9	Very low	32.9	Very low	114 Å²	114	132.2 Å²	132.2	74%	0.74	75%	0.754	S	S	*	*			cis	-129.8	-177.2	9.5	39.9	-21.2	0	0	0	116.3
164	T	28.7	Very low	32.7	Very low	130 Å²	130	135.5 Å²	135.5	80%	0.798	76%	0.764	S	S	*	*			trans	-20	146.1	167.3	23.6	0	0	0	0	117.9
165	S	29.9	Very low	32.6	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	77%	0.771	S	S	*	*			cis	-167	117.4	20.3	40.9	0	0	0	0	113.3
166	T	29.1	Very low	32.6	Very low	115 Å²	115	135.2 Å²	135.2	71%	0.706	77%	0.77	S	S	*	*			trans	-153.1	172.5	178.9	-24.9	0	0	0	0	113	Q168	T166-Q168 HydrophobicContact CG2-CG 4.48Å
167	N	32.5	Very low	32.3	Very low	151 Å²	151	131 Å²	131	81%	0.807	76%	0.755	S	S	*	*			trans	93.9	80.1	-179.1	-54.4	-7.1	0	0	0	111.7
168	Q	33.6	Very low	32.2	Very low	180 Å²	180	133 Å²	133	84%	0.841	75%	0.754	S	S	*	*				56.7	142.7	53.4	-66.3	-169	-20.3	0	0	113.9	T166	T166-Q168 HydrophobicContact CG2-CG 4.48Å
169	F	28.5	Very low	32.4	Very low	189 Å²	189	128.7 Å²	128.7	83%	0.829	73%	0.728	S	S	*	*			trans	-129.5	141.4	-148.6	-146	-119	0	0	0	111.7
170	T	33.4	Very low	32.5	Very low	105 Å²	105	128.1 Å²	128.1	64%	0.644	72%	0.723	S	S	*	*			trans	71.2	157	151.2	47.6	0	0	0	0	123
171	Q	34.5	Very low	33.3	Very low	168 Å²	168	124.2 Å²	124.2	79%	0.785	71%	0.707	S	S	*	*			trans	84.1	134.7	165	-43.7	-159.9	17.1	0	0	115.1
172	L	28.6	Very low	34.1	Very low	148 Å²	148	118 Å²	118	78%	0.775	68%	0.676	S	S	*	*			cis	-141.8	175.5	17.5	-128.6	132.2	0	0	0	113
173	S	30.8	Very low	35.2	Very low	96 Å²	96	116.3 Å²	116.3	67%	0.671	66%	0.658	S	S	*	*			trans	88	101.6	162.7	80.3	0	0	0	0	121.9
174	N	31.8	Very low	36.1	Very low	162 Å²	162	112.4 Å²	112.4	87%	0.866	63%	0.631	S	S	*	*				49.3	102.7	128.2	-53.4	-4.8	0	0	0	120.4
175	S	34.6	Very low	37.6	Very low	113 Å²	113	109.1 Å²	109.1	79%	0.79	61%	0.605	S	S	*	*			trans	-148.8	158.6	159.5	61.4	0	0	0	0	111.7
176	P	32	Very low	39.3	Very low	113 Å²	113	108.4 Å²	108.4	73%	0.734	59%	0.589	S	S	*	*			trans	-92.4	117.2	-163.8	33.7	-34.1	0	0	0	115.5
177	I	30.1	Very low	41.3	Very low	89 Å²	89	103.5 Å²	103.5	46%	0.456	56%	0.558	S	S	.	*				44.8	99	116	-66.1	176.8	0	0	0	115.8	S48 N49	S48-I177 WeakPolarHBondContact O-CA 3.42Å; S48-I177 VanDerWaalsContact O-CB 3.29Å; S48-I177 WeakPolarHBondContact O-CB 3.15Å; S48-I177 WeakPolarHBondContact O-CG1 3.37Å; S48-I177 WeakPolarHBondContact O-CG2 3.2Å; N49-I177 HydrophobicContact CB-CD1 4.04Å; N49-I177 HydrophobicContact CB-CG1 4.07Å; N49-I177 HydrophobicContact CB-CG2 4.49Å
178	M	33.2	Very low	43.6	Very low	151 Å²	151	102.6 Å²	102.6	74%	0.744	55%	0.553	S	S	*	*			trans	-143.8	100.9	-169.2	174.7	-179	61.9	0	0	113	S48	S48-M178 VanDerWaalsContact CB-C 3.42Å; S48-M178 VanDerWaalsContact CB-O 3.25Å; S48-M178 WeakPolarHBondContact CB-O 3.39Å; S48-M178 VanDerWaalsContact N-C 3.32Å; S48-M178 VanDerWaalsContact N-N 3.13Å; S48-M178 PolarHBondContact OG-N 3.19Å; S48-M178 PolarHBondContact OG-O 2.93Å
179	T	40.6	Very low	45.8	Very low	52 Å²	52	97.9 Å²	97.9	32%	0.319	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-74.9	151.1	178.2	8.8	0	0	0	0	112.2	G46 S47	G46-T179 WeakPolarHBondContact CA-OG1 3.34Å; G46-T179 PolarHBondContact O-N 3.29Å; G46-T179 PolarHBondContact O-OG1 3.27Å; S47-T179 VanDerWaalsContact C-N 3.34Å; S47-T179 WeakPolarHBondContact CA-OG1 3.45Å; S47-T179 PolarHBondContact N-OG1 2.84Å; S47-T179 WeakPolarHBondContact O-CG2 3.48Å; S47-T179 PolarHBondContact O-OG1 2.98Å
180	T	40.2	Very low	48.4	Very low	96 Å²	96	90.8 Å²	90.8	59%	0.589	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-49.5	120.3	157.3	45.9	0	0	0	0	109.4
181	P	45.2	Very low	50.6	Low	68 Å²	68	86.9 Å²	86.9	44%	0.442	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-63.7	146.2	177.3	26.9	-34.3	0	0	0	109.8
182	P	51.4	Low	52.9	Low	29 Å²	29	83.1 Å²	83.1	19%	0.188	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-54.2	150	177.8	19.5	-31.5	0	0	0	112.1	L14 T44 V184	L14-P182 HydrophobicContact CB-CB 4.31Å; L14-P182 WeakPolarHBondContact O-CB 3.2Å; T44-P182 HydrophobicContact CG2-CG 4.43Å; P182-V184 WeakPolarHBondContact O-CG2 3.34Å; P182-V184 PolarHBondContact O-N 2.87Å
183	I	53.7	Low	55.6	Low	71 Å²	71	76.1 Å²	76.1	36%	0.364	42%	0.42	S	S	.	.			trans	-69	103.9	-178.5	-57.6	179.6	0	0	0	109.4	Y185	I183-Y185 HydrophobicContact CG2-CD2 4.34Å; I183-Y185 HydrophobicContact CG2-CE1 4.49Å; I183-Y185 HydrophobicContact CG2-CE2 3.76Å
184	V	55.5	Low	58.1	Low	31 Å²	31	71.8 Å²	71.8	19%	0.188	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121	174.3	-167.5	0	0	0	0	109.7	C16 C18 P182	C16-V184 HydrophobicContact CB-CB 4.24Å; C16-V184 HydrophobicContact CB-CG1 3.95Å; C16-V184 HydrophobicContact CB-CG2 3.93Å; C16-V184 WeakPolarHBondContact O-CA 3.47Å; C18-V184 HydrophobicContact CB-CG1 4.36Å; P182-V184 WeakPolarHBondContact O-CG2 3.34Å; P182-V184 PolarHBondContact O-N 2.87Å
185	Y	60.5	Low	60.6	Low	61 Å²	61	69.9 Å²	69.9	24%	0.239	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.2	167.7	-66	-86.4	0	0	0	109.1	I15 C16 C18 A117 I183	I15-Y185 HydrophobicContact CG2-CD2 3.96Å; I15-Y185 HydrophobicContact CG2-CE2 4.15Å; C16-Y185 PolarHBondContact O-N 3.2Å; C18-Y185 PolarHBondContact N-O 3.03Å; A117-Y185 HydrophobicContact CB-CE1 4.01Å; A117-Y185 HydrophobicContact CB-CE2 4.33Å; I183-Y185 HydrophobicContact CG2-CD2 4.34Å; I183-Y185 HydrophobicContact CG2-CE1 4.49Å; I183-Y185 HydrophobicContact CG2-CE2 3.76Å
186	F	66.3	Low	63.1	Low	89 Å²	89	65.9 Å²	65.9	39%	0.39	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.2	179	-179.1	-90	0	0	0	110.5	C18 D188	C18-F186 HydrophobicContact CB-CD2 3.86Å; C18-F186 CarbonylContact O-C 3.59Å; C18-F186 WeakPolarHBondContact O-CA 3.41Å; F186-D188 HydrophobicContact CE1-CB 4.05Å
187	Y	70.9	Confident	65.5	Low	12 Å²	12	60.5 Å²	60.5	5%	0.047	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	117.2	177.1	-60.6	-78.3	0	0	0	110.5	L17 C18 I19 G20 M120 L122 R189 F223 W224	L17-Y187 HydrophobicContact CD2-CD2 4.17Å; L17-Y187 HydrophobicContact CD2-CE2 3.72Å; C18-Y187 PolarHBondContact O-N 2.88Å; I19-Y187 CarbonylContact C-O 3.6Å; I19-Y187 VanDerWaalsContact CA-O 3.29Å; I19-Y187 WeakPolarHBondContact CA-O 3.46Å; I19-Y187 HydrophobicContact CD1-CD2 4.06Å; I19-Y187 HydrophobicContact CG1-CD2 4.05Å; G20-Y187 PolarHBondContact N-O 3.16Å; M120-Y187 HydrophobicContact CE-CE1 4.3Å; L122-Y187 HydrophobicContact CD1-CE1 3.77Å; Y187-R189 PolarHBondContact O-N 2.96Å; Y187-F223 HydrophobicContact CD1-CE1 4.02Å; Y187-F223 AromaticContact CD1-CZ 3.67Å; Y187-F223 HydrophobicContact CD1-CZ 3.67Å; Y187-F223 HydrophobicContact CE1-CE1 4.42Å; Y187-F223 AromaticContact CE1-CZ 3.91Å; Y187-F223 HydrophobicContact CE1-CZ 3.91Å; Y187-W224 HydrophobicContact CD1-CH2 4.15Å; Y187-W224 HydrophobicContact CD1-CZ3 4.43Å; Y187-W224 AromaticContact CD2-CH2 3.67Å; Y187-W224 HydrophobicContact CD2-CH2 3.67Å; Y187-W224 HydrophobicContact CD2-CZ3 4.11Å; Y187-W224 HydrophobicContact CE1-CH2 4.47Å; Y187-W224 HydrophobicContact CE1-CZ3 4.31Å; Y187-W224 HydrophobicContact CE2-CH2 4.02Å; Y187-W224 AromaticContact CE2-CZ3 3.96Å; Y187-W224 HydrophobicContact CE2-CZ3 3.96Å; Y187-W224 AromaticContact CG-CH2 3.72Å; Y187-W224 HydrophobicContact CG-CH2 3.72Å; Y187-W224 HydrophobicContact CG-CZ3 4.32Å
188	D	79.8	Confident	67.8	Low	132 Å²	132	57 Å²	57	71%	0.706	29%	0.286	S	S	*	.			trans	-79	74.9	173.1	-159	20.7	0	0	0	109.7	F186	F186-D188 HydrophobicContact CE1-CB 4.05Å
189	R	81	Confident	70.1	Confident	80 Å²	80	51.8 Å²	51.8	30%	0.302	26%	0.261	S	S	.	.	S	Bend	trans	-140	169.6	-166.2	-72.6	-72.6	171.5	168.5	3.1	111	I19 G20 Y187 P191 E220 F223 W224	I19-R189 HydrophobicContact CG2-CB 3.99Å; G20-R189 WeakPolarHBondContact CA-O 3.41Å; G20-R189 PolarHBondContact N-O 3.21Å; Y187-R189 PolarHBondContact O-N 2.96Å; R189-P191 WeakPolarHBondContact O-CD 3.29Å; R189-E220 VanDerWaalsContact CD-OE1 3.31Å; R189-E220 WeakPolarHBondContact CD-OE1 3.32Å; R189-E220 VanDerWaalsContact CD-OE2 3.29Å; R189-E220 WeakPolarHBondContact CD-OE2 3.44Å; R189-E220 IonicContact CZ-OE1 3.72Å; R189-E220 IonicContact NE-OE1 2.78Å; R189-E220 IonicContact NH1-OE1 2.72Å; R189-E220 PolarHBondContact NH1-OE1 3.43Å; R189-F223 HydrophobicContact CG-CD1 4.03Å; R189-F223 HydrophobicContact CG-CE1 3.67Å; R189-F223 HydrophobicContact CG-CZ 4.37Å; R189-F223 VanDerWaalsContact CZ-CD1 3.47Å; R189-F223 VanDerWaalsContact NE-CD1 3.32Å; R189-W224 HydrophobicContact CB-CZ2 4.19Å; R189-W224 HydrophobicContact CG-CZ2 4.25Å
190	D	81.3	Confident	72.1	Confident	40 Å²	40	51.6 Å²	51.6	21%	0.214	25%	0.254	C	S	.	.			trans	-72.4	120.7	-177.5	-170.2	-83.3	0	0	0	112.1	E192 I193 F194 F216	D190-E192 VanDerWaalsContact C-N 3.3Å; D190-E192 PolarHBondContact O-N 3.29Å; D190-E192 WeakPolarHBondContact OD1-CA 3.35Å; D190-E192 VanDerWaalsContact OD1-CB 3.32Å; D190-E192 WeakPolarHBondContact OD1-CB 3.29Å; D190-E192 PolarHBondContact OD1-N 3.16Å; D190-I193 HydrophobicContact CB-CB 4.3Å; D190-I193 HydrophobicContact CB-CD1 4.17Å; D190-I193 HydrophobicContact CB-CG1 4.37Å; D190-I193 PolarHBondContact OD1-N 2.95Å; D190-F194 PolarHBondContact O-N 2.85Å; D190-F216 HydrophobicContact CB-CE1 4.09Å; D190-F216 HydrophobicContact CB-CZ 3.79Å
191	P	80.5	Confident	73.7	Confident	23 Å²	23	49.5 Å²	49.5	15%	0.149	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.2	-175.5	35.7	-37.2	0	0	0	114.1	I19 R22 R189	I19-P191 WeakPolarHBondContact O-CB 3.47Å; R22-P191 HydrophobicContact CB-CB 3.78Å; R22-P191 HydrophobicContact CG-CB 3.67Å; R22-P191 HydrophobicContact CG-CG 3.98Å; R22-P191 PolarHBondContact NH1-O 3.41Å; R22-P191 VanDerWaalsContact NH1-O 3.13Å; R189-P191 WeakPolarHBondContact O-CD 3.29Å
192	E	83.5	Confident	75.3	Confident	89 Å²	89	51.7 Å²	51.7	42%	0.416	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-46.7	173.1	-166.3	169.7	138.4	0	0	109.7	D190 F194 R195 F196 I212	D190-E192 VanDerWaalsContact C-N 3.3Å; D190-E192 PolarHBondContact O-N 3.29Å; D190-E192 WeakPolarHBondContact OD1-CA 3.35Å; D190-E192 VanDerWaalsContact OD1-CB 3.32Å; D190-E192 WeakPolarHBondContact OD1-CB 3.29Å; D190-E192 PolarHBondContact OD1-N 3.16Å; E192-F194 VanDerWaalsContact C-N 3.32Å; E192-F194 PolarHBondContact O-N 2.84Å; E192-R195 WeakPolarHBondContact O-CB 3.45Å; E192-R195 PolarHBondContact O-N 3.37Å; E192-F196 VanDerWaalsContact O-CD2 3.23Å; E192-F196 WeakPolarHBondContact O-CD2 3.42Å; E192-F196 VanDerWaalsContact O-CE2 3.31Å; E192-F196 WeakPolarHBondContact O-CE2 3.22Å; E192-I212 HydrophobicContact CG-CD1 4.35Å
193	I	84.4	Confident	76.7	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-39.9	173.7	-63.7	170.6	0	0	0	111.2	D190 R195 F196 V197 I212 F216 V217 E220	D190-I193 HydrophobicContact CB-CB 4.3Å; D190-I193 HydrophobicContact CB-CD1 4.17Å; D190-I193 HydrophobicContact CB-CG1 4.37Å; D190-I193 PolarHBondContact OD1-N 2.95Å; I193-R195 PolarHBondContact O-N 2.95Å; I193-R195 VanDerWaalsContact O-N 3.11Å; I193-F196 PolarHBondContact O-N 2.87Å; I193-V197 HydrophobicContact CG2-CG2 4.39Å; I193-V197 PolarHBondContact O-N 2.88Å; I193-I212 HydrophobicContact CD1-CG2 4.12Å; I193-I212 HydrophobicContact CG1-CD1 3.8Å; I193-I212 HydrophobicContact CG1-CG2 4.39Å; I193-F216 HydrophobicContact CD1-CD1 3.48Å; I193-F216 VanDerWaalsContact CD1-CD1 3.48Å; I193-F216 HydrophobicContact CD1-CE1 3.53Å; I193-F216 HydrophobicContact CD1-CG 4.14Å; I193-F216 HydrophobicContact CD1-CZ 4.25Å; I193-V217 HydrophobicContact CD1-CG2 4.45Å; I193-E220 HydrophobicContact CB-CG 4.35Å; I193-E220 HydrophobicContact CD1-CB 4.34Å; I193-E220 HydrophobicContact CD1-CG 3.76Å; I193-E220 HydrophobicContact CG2-CB 3.68Å; I193-E220 HydrophobicContact CG2-CG 4.05Å
194	F	83.4	Confident	78	Confident	5 Å²	5	53.9 Å²	53.9	2%	0.022	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-26.7	179.1	-179.1	-99.9	0	0	0	113.6	L17 I19 F24 D190 E192 F196 V197 L198 W224	L17-F194 HydrophobicContact CD1-CZ 4.32Å; I19-F194 HydrophobicContact CD1-CB 4.18Å; I19-F194 HydrophobicContact CD1-CD1 3.44Å; I19-F194 VanDerWaalsContact CD1-CD1 3.44Å; I19-F194 HydrophobicContact CD1-CD2 3.37Å; I19-F194 HydrophobicContact CD1-CE1 3.51Å; I19-F194 HydrophobicContact CD1-CE2 3.46Å; I19-F194 VanDerWaalsContact CD1-CE2 3.46Å; I19-F194 HydrophobicContact CD1-CG 3.34Å; I19-F194 HydrophobicContact CD1-CZ 3.53Å; I19-F194 HydrophobicContact CG2-CB 4.04Å; I19-F194 HydrophobicContact CG2-CG 4.33Å; F24-F194 HydrophobicContact CD1-CD1 4.3Å; F24-F194 HydrophobicContact CD1-CE1 4.29Å; F24-F194 AromaticContact CD2-CD1 3.86Å; F24-F194 HydrophobicContact CD2-CD1 3.86Å; F24-F194 HydrophobicContact CD2-CE1 4.04Å; F24-F194 HydrophobicContact CE1-CD1 4.13Å; F24-F194 AromaticContact CE2-CD1 3.68Å; F24-F194 HydrophobicContact CE2-CD1 3.68Å; F24-F194 HydrophobicContact CE2-CE1 4.33Å; F24-F194 HydrophobicContact CG-CD1 4.17Å; F24-F194 HydrophobicContact CG-CE1 4.03Å; F24-F194 AromaticContact CZ-CD1 3.82Å; F24-F194 HydrophobicContact CZ-CD1 3.82Å; D190-F194 PolarHBondContact O-N 2.85Å; E192-F194 VanDerWaalsContact C-N 3.32Å; E192-F194 PolarHBondContact O-N 2.84Å; F194-F196 VanDerWaalsContact C-N 3.27Å; F194-F196 PolarHBondContact O-N 2.85Å; F194-V197 HydrophobicContact CD2-CB 4.12Å; F194-V197 HydrophobicContact CD2-CG1 4.05Å; F194-V197 HydrophobicContact CE2-CG1 4.12Å; F194-V197 WeakPolarHBondContact O-CB 3.34Å; F194-V197 PolarHBondContact O-N 2.8Å; F194-L198 HydrophobicContact CD1-CB 4.27Å; F194-L198 HydrophobicContact CE1-CB 3.8Å; F194-L198 HydrophobicContact CE1-CD1 4.42Å; F194-L198 HydrophobicContact CE1-CD2 3.98Å; F194-L198 HydrophobicContact CE1-CG 4.29Å; F194-L198 HydrophobicContact CZ-CB 4Å; F194-L198 HydrophobicContact CZ-CD1 4.29Å; F194-L198 WeakPolarHBondContact O-CB 3.43Å; F194-L198 PolarHBondContact O-N 2.85Å; F194-W224 HydrophobicContact CD2-CD2 4.37Å; F194-W224 AromaticContact CD2-CE2 3.88Å; F194-W224 HydrophobicContact CD2-CE3 4.47Å; F194-W224 AromaticContact CD2-CH2 3.66Å; F194-W224 HydrophobicContact CD2-CH2 3.66Å; F194-W224 AromaticContact CD2-CZ2 3.52Å; F194-W224 HydrophobicContact CD2-CZ2 3.52Å; F194-W224 HydrophobicContact CD2-CZ3 4.15Å; F194-W224 HydrophobicContact CE2-CE3 4.37Å; F194-W224 AromaticContact CE2-CH2 3.82Å; F194-W224 HydrophobicContact CE2-CH2 3.82Å; F194-W224 HydrophobicContact CE2-CZ2 4.16Å; F194-W224 AromaticContact CE2-CZ3 3.94Å; F194-W224 HydrophobicContact CE2-CZ3 3.94Å; F194-W224 HydrophobicContact CG-CZ2 4.39Å
195	R	84.3	Confident	79.4	Confident	122 Å²	122	58.4 Å²	58.4	46%	0.46	28%	0.282	S	S	.	.	H	α-helix	trans	-57.9	-44.6	175.4	-170	-174.9	67.6	83.4	-16.2	111	E192 I193 L198 D199	E192-R195 WeakPolarHBondContact O-CB 3.45Å; E192-R195 PolarHBondContact O-N 3.37Å; I193-R195 PolarHBondContact O-N 2.95Å; I193-R195 VanDerWaalsContact O-N 3.11Å; R195-L198 PolarHBondContact O-N 3.38Å; R195-D199 IonicContact CZ-OD2 2.7Å; R195-D199 IonicContact NH1-OD2 2.7Å; R195-D199 PolarHBondContact NH1-OD2 3.05Å; R195-D199 WeakPolarHBondContact O-CB 3.49Å; R195-D199 PolarHBondContact O-N 2.82Å
196	F	86.3	Confident	80.7	Confident	28 Å²	28	55.6 Å²	55.6	12%	0.123	27%	0.271	C	S	.	.	H	α-helix	trans	-71.8	-32.6	-179.3	-55.4	-86.7	0	0	0	112.4	E192 I193 F194 Y200 H207 L208 P209	E192-F196 VanDerWaalsContact O-CD2 3.23Å; E192-F196 WeakPolarHBondContact O-CD2 3.42Å; E192-F196 VanDerWaalsContact O-CE2 3.31Å; E192-F196 WeakPolarHBondContact O-CE2 3.22Å; I193-F196 PolarHBondContact O-N 2.87Å; F194-F196 VanDerWaalsContact C-N 3.27Å; F194-F196 PolarHBondContact O-N 2.85Å; F196-Y200 WeakPolarHBondContact O-CB 3.29Å; F196-Y200 PolarHBondContact O-N 3.25Å; F196-H207 WeakPolarHBondContact CB-O 3.32Å; F196-H207 VanDerWaalsContact CD1-O 3.25Å; F196-H207 WeakPolarHBondContact CD1-O 3.48Å; F196-L208 HydrophobicContact CB-CD2 4.37Å; F196-P209 HydrophobicContact CD2-CG 4.16Å; F196-P209 HydrophobicContact CE1-CB 4.16Å; F196-P209 HydrophobicContact CE1-CG 4.15Å; F196-P209 HydrophobicContact CE2-CB 4.18Å; F196-P209 HydrophobicContact CE2-CG 3.57Å; F196-P209 HydrophobicContact CZ-CB 3.66Å; F196-P209 HydrophobicContact CZ-CG 3.56Å
197	V	82.9	Confident	81.9	Confident	1 Å²	1	55 Å²	55	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-48.5	170.7	171.8	0	0	0	0	110.7	I193 F194 Y200 Y201 W224 I226	I193-V197 HydrophobicContact CG2-CG2 4.39Å; I193-V197 PolarHBondContact O-N 2.88Å; F194-V197 HydrophobicContact CD2-CB 4.12Å; F194-V197 HydrophobicContact CD2-CG1 4.05Å; F194-V197 HydrophobicContact CE2-CG1 4.12Å; F194-V197 WeakPolarHBondContact O-CB 3.34Å; F194-V197 PolarHBondContact O-N 2.8Å; V197-Y200 PolarHBondContact O-N 3.17Å; V197-Y201 HydrophobicContact CG1-CD2 4.17Å; V197-Y201 HydrophobicContact CG1-CE2 3.98Å; V197-Y201 WeakPolarHBondContact O-CD2 3.31Å; V197-Y201 PolarHBondContact O-N 3.3Å; V197-Y201 VanDerWaalsContact O-N 3.16Å; V197-W224 HydrophobicContact CB-CG 4.49Å; V197-W224 HydrophobicContact CG1-CB 3.93Å; V197-W224 HydrophobicContact CG1-CD2 3.98Å; V197-W224 HydrophobicContact CG1-CE3 4.4Å; V197-W224 HydrophobicContact CG1-CG 3.74Å; V197-W224 HydrophobicContact CG2-CB 4.45Å; V197-W224 HydrophobicContact CG2-CG 4.01Å; V197-I226 HydrophobicContact CB-CD1 4.44Å; V197-I226 HydrophobicContact CG1-CD1 3.88Å; V197-I226 HydrophobicContact CG2-CD1 4.38Å
198	L	79.3	Confident	82.7	Confident	15 Å²	15	55.4 Å²	55.4	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-39.4	177.5	-179.8	63.8	0	0	0	111.9	F24 L108 F194 R195 Y201 R202	F24-L198 HydrophobicContact CD1-CD2 4.15Å; L108-L198 HydrophobicContact CD1-CD1 4.1Å; F194-L198 HydrophobicContact CD1-CB 4.27Å; F194-L198 HydrophobicContact CE1-CB 3.8Å; F194-L198 HydrophobicContact CE1-CD1 4.42Å; F194-L198 HydrophobicContact CE1-CD2 3.98Å; F194-L198 HydrophobicContact CE1-CG 4.29Å; F194-L198 HydrophobicContact CZ-CB 4Å; F194-L198 HydrophobicContact CZ-CD1 4.29Å; F194-L198 WeakPolarHBondContact O-CB 3.43Å; F194-L198 PolarHBondContact O-N 2.85Å; R195-L198 PolarHBondContact O-N 3.38Å; L198-Y201 PolarHBondContact O-N 2.9Å; L198-R202 WeakPolarHBondContact O-CD 3.4Å; L198-R202 VanDerWaalsContact O-CG 3.29Å; L198-R202 WeakPolarHBondContact O-CG 3.39Å; L198-R202 PolarHBondContact O-N 3.31Å
199	D	81.9	Confident	83	Confident	41 Å²	41	50.3 Å²	50.3	22%	0.219	25%	0.246	C	C	.	.	H	α-helix	trans	-69.2	-37.7	178.3	-67	-22.5	0	0	0	111.1	R195 Y201 R202 T203	R195-D199 IonicContact CZ-OD2 2.7Å; R195-D199 IonicContact NH1-OD2 2.7Å; R195-D199 PolarHBondContact NH1-OD2 3.05Å; R195-D199 WeakPolarHBondContact O-CB 3.49Å; R195-D199 PolarHBondContact O-N 2.82Å; D199-Y201 PolarHBondContact O-N 3.3Å; D199-R202 CarbonylContact O-C 3.57Å; D199-R202 WeakPolarHBondContact O-CA 3.49Å; D199-R202 WeakPolarHBondContact O-CB 3.45Å; D199-R202 PolarHBondContact O-N 3Å; D199-R202 IonicContact OD1-CZ 3.96Å; D199-R202 IonicContact OD1-NH1 2.88Å; D199-R202 PolarHBondContact OD1-NH1 3.47Å; D199-T203 PolarHBondContact O-N 2.85Å; D199-T203 PolarHBondContact O-OG1 2.72Å
200	Y	82	Confident	83.1	Confident	48 Å²	48	51.5 Å²	51.5	19%	0.188	27%	0.267	C	S	.	.	H	α-helix	trans	-56.4	-44.8	167.8	161.7	-102.3	0	0	0	112.4	F196 V197 R202 G204 L206 I226 L230	F196-Y200 WeakPolarHBondContact O-CB 3.29Å; F196-Y200 PolarHBondContact O-N 3.25Å; V197-Y200 PolarHBondContact O-N 3.17Å; Y200-R202 PolarHBondContact O-N 3.3Å; Y200-R202 VanDerWaalsContact O-N 3.16Å; Y200-G204 WeakPolarHBondContact O-CA 3.45Å; Y200-G204 PolarHBondContact O-N 3.24Å; Y200-L206 HydrophobicContact CD2-CB 3.82Å; Y200-L206 HydrophobicContact CG-CB 4.24Å; Y200-L206 HydrophobicContact CG-CD1 4.35Å; Y200-I226 HydrophobicContact CD1-CD1 3.58Å; Y200-I226 HydrophobicContact CD1-CG1 4.2Å; Y200-I226 HydrophobicContact CE1-CD1 3.92Å; Y200-I226 HydrophobicContact CE1-CG1 4.01Å; Y200-I226 HydrophobicContact CE1-CG2 4.28Å; Y200-I226 HydrophobicContact CG-CD1 4.48Å; Y200-L230 HydrophobicContact CE2-CD1 4.39Å
201	Y	74.4	Confident	83.3	Confident	53 Å²	53	54.1 Å²	54.1	21%	0.208	29%	0.289	C	S	.	.	H	α-helix	trans	-67.8	-8.4	174.7	-77.5	-67.3	0	0	0	114.3	I112 V116 V197 L198 D199 I226	I112-Y201 HydrophobicContact CG2-CD1 3.99Å; I112-Y201 HydrophobicContact CG2-CG 4.35Å; V116-Y201 HydrophobicContact CG2-CD1 4.37Å; V116-Y201 HydrophobicContact CG2-CD2 4.15Å; V116-Y201 HydrophobicContact CG2-CE1 4.14Å; V116-Y201 HydrophobicContact CG2-CE2 3.92Å; V116-Y201 HydrophobicContact CG2-CG 4.39Å; V197-Y201 HydrophobicContact CG1-CD2 4.17Å; V197-Y201 HydrophobicContact CG1-CE2 3.98Å; V197-Y201 WeakPolarHBondContact O-CD2 3.31Å; V197-Y201 PolarHBondContact O-N 3.3Å; V197-Y201 VanDerWaalsContact O-N 3.16Å; L198-Y201 PolarHBondContact O-N 2.9Å; D199-Y201 PolarHBondContact O-N 3.3Å; Y201-I226 HydrophobicContact CE2-CD1 4.12Å
202	R	77.8	Confident	83.5	Confident	114 Å²	114	54.5 Å²	54.5	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-103.1	-36.3	176.7	-71.3	161.4	160.4	171	-5.8	113.6	L108 L198 D199 Y200	L108-R202 HydrophobicContact CD1-CG 4.46Å; L198-R202 WeakPolarHBondContact O-CD 3.4Å; L198-R202 VanDerWaalsContact O-CG 3.29Å; L198-R202 WeakPolarHBondContact O-CG 3.39Å; L198-R202 PolarHBondContact O-N 3.31Å; D199-R202 CarbonylContact O-C 3.57Å; D199-R202 WeakPolarHBondContact O-CA 3.49Å; D199-R202 WeakPolarHBondContact O-CB 3.45Å; D199-R202 PolarHBondContact O-N 3Å; D199-R202 IonicContact OD1-CZ 3.96Å; D199-R202 IonicContact OD1-NH1 2.88Å; D199-R202 PolarHBondContact OD1-NH1 3.47Å; Y200-R202 PolarHBondContact O-N 3.3Å; Y200-R202 VanDerWaalsContact O-N 3.16Å
203	T	82.1	Confident	83.4	Confident	90 Å²	90	54 Å²	54	55%	0.552	30%	0.295	S	S	*	.	H	α-helix	trans	-101.7	-26.2	-175.8	60.4	0	0	0	0	113.2	D199 E205	D199-T203 PolarHBondContact O-N 2.85Å; D199-T203 PolarHBondContact O-OG1 2.72Å; T203-E205 VanDerWaalsContact C-N 3.27Å; T203-E205 PolarHBondContact OG1-N 2.89Å; T203-E205 PolarHBondContact OG1-O 3.37Å
204	G	79.8	Confident	83.4	Confident	56 Å²	56	54.4 Å²	54.4	58%	0.577	30%	0.299	S	S	*	.	S	Bend	trans	83.1	-4.5	-164.3	0	0	0	0	0	114.2	Y200	Y200-G204 WeakPolarHBondContact O-CA 3.45Å; Y200-G204 PolarHBondContact O-N 3.24Å
205	E	85.2	Confident	83.5	Confident	126 Å²	126	55.6 Å²	55.6	59%	0.589	31%	0.307	S	S	*	.			trans	-117.2	120.2	-172.7	-62.2	-174	134.3	0	0	111.7	T203 H207	T203-E205 VanDerWaalsContact C-N 3.27Å; T203-E205 PolarHBondContact OG1-N 2.89Å; T203-E205 PolarHBondContact OG1-O 3.37Å; E205-H207 PolarHBondContact O-N 3.37Å
206	L	88.8	Confident	83.6	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-91	97.1	-178.8	-178.9	67.4	0	0	0	111.5	Y200 L208 L221 I226 L230 I231 G232	Y200-L206 HydrophobicContact CD2-CB 3.82Å; Y200-L206 HydrophobicContact CG-CB 4.24Å; Y200-L206 HydrophobicContact CG-CD1 4.35Å; L206-L208 HydrophobicContact CD1-CD2 4.1Å; L206-L208 HydrophobicContact CG-CD2 4.41Å; L206-L208 HydrophobicContact CG-CG 4.35Å; L206-L221 HydrophobicContact CD1-CD2 4.18Å; L206-L221 HydrophobicContact CD2-CD1 4.31Å; L206-L221 HydrophobicContact CD2-CD2 3.82Å; L206-I226 HydrophobicContact CD2-CG2 3.82Å; L206-L230 WeakPolarHBondContact CB-O 3.31Å; L206-L230 HydrophobicContact CD2-CB 4.49Å; L206-I231 HydrophobicContact CD2-CB 4.49Å; L206-I231 HydrophobicContact CD2-CG1 3.62Å; L206-I231 HydrophobicContact CG-CG1 4.4Å; L206-G232 PolarHBondContact O-N 3.23Å
207	H	90.4	Very high	83.7	Confident	77 Å²	77	52.7 Å²	52.7	36%	0.356	30%	0.298	S	S	.	.			trans	-98.7	142.7	168.5	-66.9	-79.9	0	0	0	111.2	F196 E205 C234	F196-H207 WeakPolarHBondContact CB-O 3.32Å; F196-H207 VanDerWaalsContact CD1-O 3.25Å; F196-H207 WeakPolarHBondContact CD1-O 3.48Å; E205-H207 PolarHBondContact O-N 3.37Å; H207-C234 PolarHBondContact CE1-SG 3.01Å; H207-C234 PolarHBondContact ND1-SG 3.02Å; H207-C234 VanDerWaalsContact ND1-SG 3.36Å
208	L	88.3	Confident	83.9	Confident	20 Å²	20	55 Å²	55	11%	0.105	31%	0.307	C	S	.	.			trans	-129.3	145.4	-172.9	-65.5	170.4	0	0	0	111.3	F196 L206 V217 L221 I231 C235 Y239	F196-L208 HydrophobicContact CB-CD2 4.37Å; L206-L208 HydrophobicContact CD1-CD2 4.1Å; L206-L208 HydrophobicContact CG-CD2 4.41Å; L206-L208 HydrophobicContact CG-CG 4.35Å; L208-V217 HydrophobicContact CD1-CG1 3.76Å; L208-V217 HydrophobicContact CD2-CG1 3.67Å; L208-V217 HydrophobicContact CG-CG1 4.28Å; L208-L221 HydrophobicContact CD1-CD1 4.4Å; L208-I231 HydrophobicContact CD1-CB 4.46Å; L208-I231 HydrophobicContact CD1-CD1 3.66Å; L208-I231 HydrophobicContact CD1-CG1 3.72Å; L208-I231 HydrophobicContact CD1-CG2 3.91Å; L208-C235 HydrophobicContact CB-CB 4.27Å; L208-C235 PolarHBondContact N-SG 2.82Å; L208-C235 PolarHBondContact O-SG 2.75Å; L208-C235 VanDerWaalsContact O-SG 3.41Å; L208-Y239 HydrophobicContact CD1-CD2 4.1Å
209	P	85.6	Confident	84.3	Confident	25 Å²	25	61 Å²	61	16%	0.162	33%	0.332	C	S	.	.			trans	-76.5	135.9	-179	31.9	-34.7	0	0	0	111.8	F196 S211 I212	F196-P209 HydrophobicContact CD2-CG 4.16Å; F196-P209 HydrophobicContact CE1-CB 4.16Å; F196-P209 HydrophobicContact CE1-CG 4.15Å; F196-P209 HydrophobicContact CE2-CB 4.18Å; F196-P209 HydrophobicContact CE2-CG 3.57Å; F196-P209 HydrophobicContact CZ-CB 3.66Å; F196-P209 HydrophobicContact CZ-CG 3.56Å; P209-S211 PolarHBondContact O-N 3.25Å; P209-I212 HydrophobicContact CB-CG1 4.39Å; P209-I212 HydrophobicContact CG-CB 4.15Å; P209-I212 HydrophobicContact CG-CD1 3.53Å; P209-I212 HydrophobicContact CG-CG1 3.67Å; P209-I212 PolarHBondContact O-N 3.29Å
210	S	83.3	Confident	84.6	Confident	106 Å²	106	59.4 Å²	59.4	74%	0.741	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-13.7	176.5	53.9	0	0	0	0	114.2
211	S	84.8	Confident	84.8	Confident	95 Å²	95	57.2 Å²	57.2	66%	0.664	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-20.2	177.7	54.5	0	0	0	0	114.1	P209	P209-S211 PolarHBondContact O-N 3.25Å
212	I	84.5	Confident	85.4	Confident	30 Å²	30	60.1 Å²	60.1	15%	0.154	33%	0.333	C	S	.	.	S	Bend	trans	-101.3	134.2	-172	-53.9	-173.3	0	0	0	110.9	E192 I193 P209 G214 F216 V217	E192-I212 HydrophobicContact CG-CD1 4.35Å; I193-I212 HydrophobicContact CD1-CG2 4.12Å; I193-I212 HydrophobicContact CG1-CD1 3.8Å; I193-I212 HydrophobicContact CG1-CG2 4.39Å; P209-I212 HydrophobicContact CB-CG1 4.39Å; P209-I212 HydrophobicContact CG-CB 4.15Å; P209-I212 HydrophobicContact CG-CD1 3.53Å; P209-I212 HydrophobicContact CG-CG1 3.67Å; P209-I212 PolarHBondContact O-N 3.29Å; I212-G214 PolarHBondContact O-N 3.35Å; I212-F216 HydrophobicContact CG2-CD1 3.8Å; I212-V217 HydrophobicContact CB-CG2 4.03Å; I212-V217 HydrophobicContact CG2-CG2 3.66Å
213	C	82.8	Confident	85.7	Confident	80 Å²	80	56.7 Å²	56.7	54%	0.541	32%	0.321	S	S	.	.			trans	-65.9	120.6	-177.6	-165.9	0	0	0	0	111.7	P215 F216 V217	C213-P215 VanDerWaalsContact C-N 3.35Å; C213-P215 WeakPolarHBondContact O-CD 3.39Å; C213-F216 WeakPolarHBondContact O-CB 3.13Å; C213-F216 PolarHBondContact O-N 3.11Å; C213-V217 PolarHBondContact O-N 3.43Å
214	G	84.4	Confident	85.7	Confident	9 Å²	9	53.1 Å²	53.1	9%	0.093	30%	0.298	C	S	.	.	H	α-helix	trans	-44.9	-39.3	-174.2	0	0	0	0	0	117.4	I212 F216 V217 R218	I212-G214 PolarHBondContact O-N 3.35Å; G214-F216 VanDerWaalsContact C-N 3.27Å; G214-F216 PolarHBondContact O-N 3.21Å; G214-V217 PolarHBondContact O-N 3.03Å; G214-R218 WeakPolarHBondContact O-CB 3.33Å; G214-R218 PolarHBondContact O-N 3.22Å
215	P	83.7	Confident	85.7	Confident	31 Å²	31	52.9 Å²	52.9	20%	0.201	30%	0.296	C	S	.	.	H	α-helix	trans	-65.9	-24.4	175.5	-25.5	37.4	0	0	0	115.2	C213 K219 Y242	C213-P215 VanDerWaalsContact C-N 3.35Å; C213-P215 WeakPolarHBondContact O-CD 3.39Å; P215-K219 WeakPolarHBondContact O-CG 3.41Å; P215-K219 PolarHBondContact O-N 3.4Å; P215-Y242 HydrophobicContact CB-CE1 4.33Å; P215-Y242 HydrophobicContact CG-CD1 3.23Å; P215-Y242 HydrophobicContact CG-CD2 3.58Å; P215-Y242 HydrophobicContact CG-CE1 3.21Å; P215-Y242 HydrophobicContact CG-CE2 3.57Å; P215-Y242 HydrophobicContact CG-CG 3.42Å; P215-Y242 VanDerWaalsContact CG-CG 3.42Å
216	F	87	Confident	85.7	Confident	85 Å²	85	47.3 Å²	47.3	37%	0.373	27%	0.27	S	S	.	.	H	α-helix	trans	-78	-46.6	175.4	-173	-131.4	0	0	0	109.2	D190 I193 I212 C213 G214 R218 K219 E220	D190-F216 HydrophobicContact CB-CE1 4.09Å; D190-F216 HydrophobicContact CB-CZ 3.79Å; I193-F216 HydrophobicContact CD1-CD1 3.48Å; I193-F216 VanDerWaalsContact CD1-CD1 3.48Å; I193-F216 HydrophobicContact CD1-CE1 3.53Å; I193-F216 HydrophobicContact CD1-CG 4.14Å; I193-F216 HydrophobicContact CD1-CZ 4.25Å; I212-F216 HydrophobicContact CG2-CD1 3.8Å; C213-F216 WeakPolarHBondContact O-CB 3.13Å; C213-F216 PolarHBondContact O-N 3.11Å; G214-F216 VanDerWaalsContact C-N 3.27Å; G214-F216 PolarHBondContact O-N 3.21Å; F216-R218 VanDerWaalsContact C-N 3.33Å; F216-R218 PolarHBondContact O-N 3.43Å; F216-K219 WeakPolarHBondContact O-CB 3.43Å; F216-K219 PolarHBondContact O-N 2.84Å; F216-K219 VanDerWaalsContact O-N 3.11Å; F216-E220 PolarHBondContact O-N 3.32Å
217	V	88.3	Confident	85.5	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-54.5	-47.5	170	-178.3	0	0	0	0	111.4	I193 L208 I212 C213 G214 K219 E220 L221 Y239	I193-V217 HydrophobicContact CD1-CG2 4.45Å; L208-V217 HydrophobicContact CD1-CG1 3.76Å; L208-V217 HydrophobicContact CD2-CG1 3.67Å; L208-V217 HydrophobicContact CG-CG1 4.28Å; I212-V217 HydrophobicContact CB-CG2 4.03Å; I212-V217 HydrophobicContact CG2-CG2 3.66Å; C213-V217 PolarHBondContact O-N 3.43Å; G214-V217 PolarHBondContact O-N 3.03Å; V217-K219 VanDerWaalsContact C-N 3.35Å; V217-K219 PolarHBondContact O-N 3.05Å; V217-E220 PolarHBondContact O-N 2.84Å; V217-E220 VanDerWaalsContact O-N 3.1Å; V217-L221 HydrophobicContact CG1-CD1 3.98Å; V217-L221 HydrophobicContact CG1-CG 4.13Å; V217-L221 WeakPolarHBondContact O-CG 3.37Å; V217-L221 PolarHBondContact O-N 3.48Å; V217-Y239 HydrophobicContact CB-CD2 4.45Å; V217-Y239 HydrophobicContact CB-CE2 4.3Å; V217-Y239 HydrophobicContact CG1-CD2 4.25Å; V217-Y239 HydrophobicContact CG1-CE2 4.14Å
218	R	87.6	Confident	85.3	Confident	51 Å²	51	50.9 Å²	50.9	19%	0.192	29%	0.29	C	S	.	.	H	α-helix	trans	-54	-45	174.7	175.4	171	-83.1	151.8	-12.1	113.1	G214 F216 E220 L221 I222 E228 Y239 D243	G214-R218 WeakPolarHBondContact O-CB 3.33Å; G214-R218 PolarHBondContact O-N 3.22Å; F216-R218 VanDerWaalsContact C-N 3.33Å; F216-R218 PolarHBondContact O-N 3.43Å; R218-E220 PolarHBondContact O-N 3.26Å; R218-L221 PolarHBondContact O-N 3.35Å; R218-I222 HydrophobicContact CG-CD1 3.59Å; R218-I222 HydrophobicContact CG-CG1 4.33Å; R218-I222 WeakPolarHBondContact O-CB 3.39Å; R218-I222 VanDerWaalsContact O-CG1 3.22Å; R218-I222 WeakPolarHBondContact O-CG1 3.4Å; R218-I222 PolarHBondContact O-N 2.69Å; R218-E228 WeakPolarHBondContact CD-OE1 3.32Å; R218-E228 WeakPolarHBondContact CG-OE1 3.23Å; R218-E228 IonicContact CZ-OE1 2.74Å; R218-E228 IonicContact CZ-OE2 2.67Å; R218-E228 VanDerWaalsContact NE-CD 3.29Å; R218-E228 IonicContact NE-OE1 3.53Å; R218-E228 PolarHBondContact NE-OE1 3.1Å; R218-E228 IonicContact NE-OE2 2.66Å; R218-E228 PolarHBondContact NE-OE2 3.03Å; R218-E228 IonicContact NH2-OE1 2.81Å; R218-E228 IonicContact NH2-OE2 3.66Å; R218-E228 PolarHBondContact NH2-OE2 2.9Å; R218-Y239 HydrophobicContact CB-CE2 4.36Å; R218-Y239 WeakPolarHBondContact CB-OH 3.46Å; R218-Y239 PolarHBondContact NE-OH 2.71Å; R218-D243 IonicContact CZ-OD2 2.66Å; R218-D243 VanDerWaalsContact CZ-OD2 3.24Å; R218-D243 IonicContact NH1-OD1 3.79Å; R218-D243 PolarHBondContact NH1-OD1 3.13Å; R218-D243 IonicContact NH1-OD2 3.14Å; R218-D243 PolarHBondContact NH1-OD2 3.47Å; R218-D243 IonicContact NH2-OD2 2.67Å; R218-D243 PolarHBondContact NH2-OD2 3.27Å
219	K	87.6	Confident	85.2	Confident	139 Å²	139	53.7 Å²	53.7	60%	0.604	32%	0.316	S	S	*	.	H	α-helix	trans	-63.7	-33.1	179.1	-76.9	170	178.3	-177.6	0	112.5	P215 F216 V217 F223	P215-K219 WeakPolarHBondContact O-CG 3.41Å; P215-K219 PolarHBondContact O-N 3.4Å; F216-K219 WeakPolarHBondContact O-CB 3.43Å; F216-K219 PolarHBondContact O-N 2.84Å; F216-K219 VanDerWaalsContact O-N 3.11Å; V217-K219 VanDerWaalsContact C-N 3.35Å; V217-K219 PolarHBondContact O-N 3.05Å; K219-F223 WeakPolarHBondContact O-CB 3.32Å; K219-F223 PolarHBondContact O-N 3.2Å
220	E	87.3	Confident	85.3	Confident	9 Å²	9	56.2 Å²	56.2	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-77.8	-47.4	176.5	-68.5	-59.1	108.7	0	0	111.1	R189 I193 F216 V217 R218 I222 F223 W224	R189-E220 VanDerWaalsContact CD-OE1 3.31Å; R189-E220 WeakPolarHBondContact CD-OE1 3.32Å; R189-E220 VanDerWaalsContact CD-OE2 3.29Å; R189-E220 WeakPolarHBondContact CD-OE2 3.44Å; R189-E220 IonicContact CZ-OE1 3.72Å; R189-E220 IonicContact NE-OE1 2.78Å; R189-E220 IonicContact NH1-OE1 2.72Å; R189-E220 PolarHBondContact NH1-OE1 3.43Å; I193-E220 HydrophobicContact CB-CG 4.35Å; I193-E220 HydrophobicContact CD1-CB 4.34Å; I193-E220 HydrophobicContact CD1-CG 3.76Å; I193-E220 HydrophobicContact CG2-CB 3.68Å; I193-E220 HydrophobicContact CG2-CG 4.05Å; F216-E220 PolarHBondContact O-N 3.32Å; V217-E220 PolarHBondContact O-N 2.84Å; V217-E220 VanDerWaalsContact O-N 3.1Å; R218-E220 PolarHBondContact O-N 3.26Å; E220-I222 VanDerWaalsContact C-N 3.31Å; E220-I222 PolarHBondContact O-N 3.17Å; E220-F223 CarbonylContact O-C 3.45Å; E220-F223 WeakPolarHBondContact O-CA 3.34Å; E220-F223 WeakPolarHBondContact O-CB 3.39Å; E220-F223 PolarHBondContact O-N 3.35Å; E220-W224 PolarHBondContact O-N 3.18Å; E220-W224 PolarHBondContact OE2-NE1 3.35Å
221	L	87.6	Confident	85.6	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-54.7	-46	175.2	-67.1	177.3	0	0	0	112	L206 L208 V217 R218 F223 W224 G225 I226 I231 Y239	L206-L221 HydrophobicContact CD1-CD2 4.18Å; L206-L221 HydrophobicContact CD2-CD1 4.31Å; L206-L221 HydrophobicContact CD2-CD2 3.82Å; L208-L221 HydrophobicContact CD1-CD1 4.4Å; V217-L221 HydrophobicContact CG1-CD1 3.98Å; V217-L221 HydrophobicContact CG1-CG 4.13Å; V217-L221 WeakPolarHBondContact O-CG 3.37Å; V217-L221 PolarHBondContact O-N 3.48Å; R218-L221 PolarHBondContact O-N 3.35Å; L221-F223 PolarHBondContact O-N 2.71Å; L221-W224 PolarHBondContact O-N 3.39Å; L221-G225 PolarHBondContact O-N 3.29Å; L221-I226 HydrophobicContact CD2-CB 4.09Å; L221-I226 HydrophobicContact CD2-CD1 4.49Å; L221-I226 HydrophobicContact CD2-CG2 4.07Å; L221-I226 PolarHBondContact O-N 3.39Å; L221-I231 HydrophobicContact CD1-CD1 4.02Å; L221-I231 HydrophobicContact CD1-CG1 4.39Å; L221-Y239 HydrophobicContact CD1-CE2 4.31Å
222	I	86.3	Confident	85.7	Confident	114 Å²	114	47.7 Å²	47.7	59%	0.585	27%	0.269	S	S	*	.	H	α-helix	trans	-61.2	-31	174.4	-69.8	170.9	0	0	0	112.3	R218 E220	R218-I222 HydrophobicContact CG-CD1 3.59Å; R218-I222 HydrophobicContact CG-CG1 4.33Å; R218-I222 WeakPolarHBondContact O-CB 3.39Å; R218-I222 VanDerWaalsContact O-CG1 3.22Å; R218-I222 WeakPolarHBondContact O-CG1 3.4Å; R218-I222 PolarHBondContact O-N 2.69Å; E220-I222 VanDerWaalsContact C-N 3.31Å; E220-I222 PolarHBondContact O-N 3.17Å
223	F	84	Confident	85.9	Confident	42 Å²	42	51.9 Å²	51.9	18%	0.184	30%	0.298	C	S	.	.	H	α-helix	trans	-77.4	-42.5	175.7	169.4	-111.2	0	0	0	112.7	M120 Y187 R189 K219 E220 L221 G225	M120-F223 HydrophobicContact CE-CE2 3.79Å; M120-F223 HydrophobicContact CE-CZ 3.83Å; M120-F223 HydrophobicContact SD-CD2 4.35Å; M120-F223 HydrophobicContact SD-CE2 3.62Å; M120-F223 HydrophobicContact SD-CZ 4.22Å; Y187-F223 HydrophobicContact CD1-CE1 4.02Å; Y187-F223 AromaticContact CD1-CZ 3.67Å; Y187-F223 HydrophobicContact CD1-CZ 3.67Å; Y187-F223 HydrophobicContact CE1-CE1 4.42Å; Y187-F223 AromaticContact CE1-CZ 3.91Å; Y187-F223 HydrophobicContact CE1-CZ 3.91Å; R189-F223 HydrophobicContact CG-CD1 4.03Å; R189-F223 HydrophobicContact CG-CE1 3.67Å; R189-F223 HydrophobicContact CG-CZ 4.37Å; R189-F223 VanDerWaalsContact CZ-CD1 3.47Å; R189-F223 VanDerWaalsContact NE-CD1 3.32Å; K219-F223 WeakPolarHBondContact O-CB 3.32Å; K219-F223 PolarHBondContact O-N 3.2Å; E220-F223 CarbonylContact O-C 3.45Å; E220-F223 WeakPolarHBondContact O-CA 3.34Å; E220-F223 WeakPolarHBondContact O-CB 3.39Å; E220-F223 PolarHBondContact O-N 3.35Å; L221-F223 PolarHBondContact O-N 2.71Å; F223-G225 PolarHBondContact O-N 3.11Å
224	W	83.4	Confident	86.2	Confident	15 Å²	15	52.4 Å²	52.4	6%	0.057	30%	0.301	C	S	.	.	H	α-helix	trans	-76.7	-0.8	178.4	-61.9	111.3	0	0	0	113	I19 Y187 R189 F194 V197 E220 L221 I226	I19-W224 HydrophobicContact CD1-CH2 3.76Å; I19-W224 HydrophobicContact CD1-CZ2 4.22Å; Y187-W224 HydrophobicContact CD1-CH2 4.15Å; Y187-W224 HydrophobicContact CD1-CZ3 4.43Å; Y187-W224 AromaticContact CD2-CH2 3.67Å; Y187-W224 HydrophobicContact CD2-CH2 3.67Å; Y187-W224 HydrophobicContact CD2-CZ3 4.11Å; Y187-W224 HydrophobicContact CE1-CH2 4.47Å; Y187-W224 HydrophobicContact CE1-CZ3 4.31Å; Y187-W224 HydrophobicContact CE2-CH2 4.02Å; Y187-W224 AromaticContact CE2-CZ3 3.96Å; Y187-W224 HydrophobicContact CE2-CZ3 3.96Å; Y187-W224 AromaticContact CG-CH2 3.72Å; Y187-W224 HydrophobicContact CG-CH2 3.72Å; Y187-W224 HydrophobicContact CG-CZ3 4.32Å; R189-W224 HydrophobicContact CB-CZ2 4.19Å; R189-W224 HydrophobicContact CG-CZ2 4.25Å; F194-W224 HydrophobicContact CD2-CD2 4.37Å; F194-W224 AromaticContact CD2-CE2 3.88Å; F194-W224 HydrophobicContact CD2-CE3 4.47Å; F194-W224 AromaticContact CD2-CH2 3.66Å; F194-W224 HydrophobicContact CD2-CH2 3.66Å; F194-W224 AromaticContact CD2-CZ2 3.52Å; F194-W224 HydrophobicContact CD2-CZ2 3.52Å; F194-W224 HydrophobicContact CD2-CZ3 4.15Å; F194-W224 HydrophobicContact CE2-CE3 4.37Å; F194-W224 AromaticContact CE2-CH2 3.82Å; F194-W224 HydrophobicContact CE2-CH2 3.82Å; F194-W224 HydrophobicContact CE2-CZ2 4.16Å; F194-W224 AromaticContact CE2-CZ3 3.94Å; F194-W224 HydrophobicContact CE2-CZ3 3.94Å; F194-W224 HydrophobicContact CG-CZ2 4.39Å; V197-W224 HydrophobicContact CB-CG 4.49Å; V197-W224 HydrophobicContact CG1-CB 3.93Å; V197-W224 HydrophobicContact CG1-CD2 3.98Å; V197-W224 HydrophobicContact CG1-CE3 4.4Å; V197-W224 HydrophobicContact CG1-CG 3.74Å; V197-W224 HydrophobicContact CG2-CB 4.45Å; V197-W224 HydrophobicContact CG2-CG 4.01Å; E220-W224 PolarHBondContact O-N 3.18Å; E220-W224 PolarHBondContact OE2-NE1 3.35Å; L221-W224 PolarHBondContact O-N 3.39Å; W224-I226 VanDerWaalsContact C-N 3.32Å; W224-I226 HydrophobicContact CB-CD1 4.16Å; W224-I226 HydrophobicContact CB-CG1 4.32Å; W224-I226 PolarHBondContact O-N 2.81Å
225	G	78.8	Confident	86.4	Confident	52 Å²	52	52.7 Å²	52.7	54%	0.536	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	19.8	177.1	0	0	0	0	0	114.2	L221 F223	L221-G225 PolarHBondContact O-N 3.29Å; F223-G225 PolarHBondContact O-N 3.11Å
226	I	85.2	Confident	86.6	Confident	8 Å²	8	54 Å²	54	4%	0.041	31%	0.306	C	S	.	.			trans	-97.1	127.1	-176.2	-59.9	172.6	0	0	0	109.2	V197 Y200 Y201 L206 L221 W224 L230	V197-I226 HydrophobicContact CB-CD1 4.44Å; V197-I226 HydrophobicContact CG1-CD1 3.88Å; V197-I226 HydrophobicContact CG2-CD1 4.38Å; Y200-I226 HydrophobicContact CD1-CD1 3.58Å; Y200-I226 HydrophobicContact CD1-CG1 4.2Å; Y200-I226 HydrophobicContact CE1-CD1 3.92Å; Y200-I226 HydrophobicContact CE1-CG1 4.01Å; Y200-I226 HydrophobicContact CE1-CG2 4.28Å; Y200-I226 HydrophobicContact CG-CD1 4.48Å; Y201-I226 HydrophobicContact CE2-CD1 4.12Å; L206-I226 HydrophobicContact CD2-CG2 3.82Å; L221-I226 HydrophobicContact CD2-CB 4.09Å; L221-I226 HydrophobicContact CD2-CD1 4.49Å; L221-I226 HydrophobicContact CD2-CG2 4.07Å; L221-I226 PolarHBondContact O-N 3.39Å; W224-I226 VanDerWaalsContact C-N 3.32Å; W224-I226 HydrophobicContact CB-CD1 4.16Å; W224-I226 HydrophobicContact CB-CG1 4.32Å; W224-I226 PolarHBondContact O-N 2.81Å; I226-L230 HydrophobicContact CG2-CD1 3.93Å
227	D	84.8	Confident	86.5	Confident	102 Å²	102	53.5 Å²	53.5	55%	0.545	31%	0.312	S	S	.	.			trans	-69.9	141	177.2	-162.5	-24.2	0	0	0	111.4	A229 L230	D227-A229 PolarHBondContact O-N 3.4Å; D227-A229 PolarHBondContact OD1-N 3.38Å; D227-L230 HydrophobicContact CB-CD1 4.05Å; D227-L230 HydrophobicContact CB-CG 4.26Å; D227-L230 WeakPolarHBondContact O-CB 3.37Å; D227-L230 PolarHBondContact O-N 3.47Å
228	E	86.5	Confident	86.2	Confident	51 Å²	51	55 Å²	55	24%	0.238	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-64.8	-23.7	175.2	-57.6	176.9	-169	0	0	111.6	R218 L230 I231 Y239	R218-E228 WeakPolarHBondContact CD-OE1 3.32Å; R218-E228 WeakPolarHBondContact CG-OE1 3.23Å; R218-E228 IonicContact CZ-OE1 2.74Å; R218-E228 IonicContact CZ-OE2 2.67Å; R218-E228 VanDerWaalsContact NE-CD 3.29Å; R218-E228 IonicContact NE-OE1 3.53Å; R218-E228 PolarHBondContact NE-OE1 3.1Å; R218-E228 IonicContact NE-OE2 2.66Å; R218-E228 PolarHBondContact NE-OE2 3.03Å; R218-E228 IonicContact NH2-OE1 2.81Å; R218-E228 IonicContact NH2-OE2 3.66Å; R218-E228 PolarHBondContact NH2-OE2 2.9Å; E228-L230 PolarHBondContact O-N 3.36Å; E228-I231 HydrophobicContact CB-CD1 4.46Å; E228-I231 WeakPolarHBondContact O-CD1 3.25Å; E228-I231 VanDerWaalsContact O-CG1 3.32Å; E228-I231 WeakPolarHBondContact O-CG1 3.47Å; E228-I231 PolarHBondContact O-N 3.2Å; E228-Y239 WeakPolarHBondContact CG-OH 3.14Å; E228-Y239 PolarHBondContact OE1-OH 3.11Å; E228-Y239 PolarHBondContact OE2-OH 2.95Å
229	A	85.5	Confident	86.1	Confident	79 Å²	79	53.4 Å²	53.4	65%	0.653	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-64.7	-16.2	174.2	0	0	0	0	0	114.2	D227	D227-A229 PolarHBondContact O-N 3.4Å; D227-A229 PolarHBondContact OD1-N 3.38Å
230	L	87.8	Confident	86	Confident	79 Å²	79	49.1 Å²	49.1	41%	0.414	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-86.4	-5.6	-178.5	-62.1	164.4	0	0	0	113.4	Y200 L206 I226 D227 E228 G232	Y200-L230 HydrophobicContact CE2-CD1 4.39Å; L206-L230 WeakPolarHBondContact CB-O 3.31Å; L206-L230 HydrophobicContact CD2-CB 4.49Å; I226-L230 HydrophobicContact CG2-CD1 3.93Å; D227-L230 HydrophobicContact CB-CD1 4.05Å; D227-L230 HydrophobicContact CB-CG 4.26Å; D227-L230 WeakPolarHBondContact O-CB 3.37Å; D227-L230 PolarHBondContact O-N 3.47Å; E228-L230 PolarHBondContact O-N 3.36Å; L230-G232 PolarHBondContact O-N 3.41Å
231	I	89.5	Confident	85.6	Confident	10 Å²	10	55.4 Å²	55.4	5%	0.051	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-66.9	123.9	-178.5	-62.4	169.7	0	0	0	110.3	L206 L208 L221 E228 C235 M236 Y239	L206-I231 HydrophobicContact CD2-CB 4.49Å; L206-I231 HydrophobicContact CD2-CG1 3.62Å; L206-I231 HydrophobicContact CG-CG1 4.4Å; L208-I231 HydrophobicContact CD1-CB 4.46Å; L208-I231 HydrophobicContact CD1-CD1 3.66Å; L208-I231 HydrophobicContact CD1-CG1 3.72Å; L208-I231 HydrophobicContact CD1-CG2 3.91Å; L221-I231 HydrophobicContact CD1-CD1 4.02Å; L221-I231 HydrophobicContact CD1-CG1 4.39Å; E228-I231 HydrophobicContact CB-CD1 4.46Å; E228-I231 WeakPolarHBondContact O-CD1 3.25Å; E228-I231 VanDerWaalsContact O-CG1 3.32Å; E228-I231 WeakPolarHBondContact O-CG1 3.47Å; E228-I231 PolarHBondContact O-N 3.2Å; I231-C235 HydrophobicContact CG2-CB 3.83Å; I231-M236 HydrophobicContact CB-CE 4.13Å; I231-M236 HydrophobicContact CG2-CB 4.29Å; I231-Y239 HydrophobicContact CD1-CD1 3.72Å; I231-Y239 HydrophobicContact CD1-CD2 3.81Å; I231-Y239 HydrophobicContact CD1-CE1 3.85Å; I231-Y239 HydrophobicContact CD1-CE2 3.91Å; I231-Y239 HydrophobicContact CD1-CG 3.7Å
232	G	87.4	Confident	85	Confident	11 Å²	11	59.4 Å²	59.4	11%	0.113	34%	0.34	C	S	.	.			trans	-57.7	145.8	-180	0	0	0	0	0	113.3	L206 L230 C234 C235 M236	L206-G232 PolarHBondContact O-N 3.23Å; L230-G232 PolarHBondContact O-N 3.41Å; G232-C234 VanDerWaalsContact C-N 3.25Å; G232-C234 PolarHBondContact O-N 2.85Å; G232-C234 VanDerWaalsContact O-N 3.11Å; G232-C235 PolarHBondContact O-N 2.85Å; G232-M236 PolarHBondContact O-N 3.38Å
233	P	88.4	Confident	84.6	Confident	119 Å²	119	54.9 Å²	54.9	77%	0.773	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.3	-167.7	23.4	-34.2	0	0	0	114.5	P237	P233-P237 WeakPolarHBondContact O-CD 3.35Å
234	C	89	Confident	84.2	Confident	90 Å²	90	57.9 Å²	57.9	61%	0.608	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-28.8	172.8	57.9	0	0	0	0	113.4	H207 G232	H207-C234 PolarHBondContact CE1-SG 3.01Å; H207-C234 PolarHBondContact ND1-SG 3.02Å; H207-C234 VanDerWaalsContact ND1-SG 3.36Å; G232-C234 VanDerWaalsContact C-N 3.25Å; G232-C234 PolarHBondContact O-N 2.85Å; G232-C234 VanDerWaalsContact O-N 3.11Å
235	C	88.8	Confident	83.6	Confident	16 Å²	16	60.2 Å²	60.2	11%	0.108	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-27.3	179.1	-65.6	0	0	0	0	112.4	L208 I231 G232 A238 Y239	L208-C235 HydrophobicContact CB-CB 4.27Å; L208-C235 PolarHBondContact N-SG 2.82Å; L208-C235 PolarHBondContact O-SG 2.75Å; L208-C235 VanDerWaalsContact O-SG 3.41Å; I231-C235 HydrophobicContact CG2-CB 3.83Å; G232-C235 PolarHBondContact O-N 2.85Å; C235-A238 PolarHBondContact O-N 3.25Å; C235-A238 VanDerWaalsContact O-N 3.1Å; C235-Y239 PolarHBondContact O-N 3.42Å
236	M	87	Confident	83.4	Confident	58 Å²	58	61.7 Å²	61.7	29%	0.286	34%	0.335	S	S	.	.	H	α-helix	trans	-53.8	-44	-177.3	-178.7	63	85.6	0	0	113.7	I231 G232 A238 Y239 M240	I231-M236 HydrophobicContact CB-CE 4.13Å; I231-M236 HydrophobicContact CG2-CB 4.29Å; G232-M236 PolarHBondContact O-N 3.38Å; M236-A238 PolarHBondContact O-N 2.97Å; M236-Y239 PolarHBondContact O-N 3.42Å; M236-Y239 HydrophobicContact SD-CD1 4.4Å; M236-M240 HydrophobicContact CG-CG 4.11Å; M236-M240 VanDerWaalsContact O-CB 3.27Å; M236-M240 WeakPolarHBondContact O-CB 3.33Å; M236-M240 WeakPolarHBondContact O-CG 3.14Å; M236-M240 PolarHBondContact O-N 3.41Å; M236-M240 HydrophobicContact SD-CG 3.5Å; M236-M240 VanDerWaalsContact SD-CG 3.5Å; M236-M240 HydrophobicContact SD-SD 4.42Å
237	P	84.6	Confident	82.8	Confident	75 Å²	75	67 Å²	67	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-41.2	175.8	-24.7	34.5	0	0	0	113.3	P233 M240 R241	P233-P237 WeakPolarHBondContact O-CD 3.35Å; P237-M240 PolarHBondContact O-N 3.33Å; P237-R241 WeakPolarHBondContact O-CG 3.4Å; P237-R241 PolarHBondContact O-N 2.85Å
238	A	82.9	Confident	82.1	Confident	35 Å²	35	63.7 Å²	63.7	29%	0.289	34%	0.338	S	S	.	.	H	α-helix	trans	-66.1	-39.6	179.4	0	0	0	0	0	111.9	C235 M236	C235-A238 PolarHBondContact O-N 3.25Å; C235-A238 VanDerWaalsContact O-N 3.1Å; M236-A238 PolarHBondContact O-N 2.97Å
239	Y	86	Confident	81.4	Confident	16 Å²	16	63.6 Å²	63.6	6%	0.063	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-48.8	173.2	179.3	-95.9	0	0	0	112	L208 V217 R218 L221 E228 I231 C235 M236 R241	L208-Y239 HydrophobicContact CD1-CD2 4.1Å; V217-Y239 HydrophobicContact CB-CD2 4.45Å; V217-Y239 HydrophobicContact CB-CE2 4.3Å; V217-Y239 HydrophobicContact CG1-CD2 4.25Å; V217-Y239 HydrophobicContact CG1-CE2 4.14Å; R218-Y239 HydrophobicContact CB-CE2 4.36Å; R218-Y239 WeakPolarHBondContact CB-OH 3.46Å; R218-Y239 PolarHBondContact NE-OH 2.71Å; L221-Y239 HydrophobicContact CD1-CE2 4.31Å; E228-Y239 WeakPolarHBondContact CG-OH 3.14Å; E228-Y239 PolarHBondContact OE1-OH 3.11Å; E228-Y239 PolarHBondContact OE2-OH 2.95Å; I231-Y239 HydrophobicContact CD1-CD1 3.72Å; I231-Y239 HydrophobicContact CD1-CD2 3.81Å; I231-Y239 HydrophobicContact CD1-CE1 3.85Å; I231-Y239 HydrophobicContact CD1-CE2 3.91Å; I231-Y239 HydrophobicContact CD1-CG 3.7Å; C235-Y239 PolarHBondContact O-N 3.42Å; M236-Y239 PolarHBondContact O-N 3.42Å; M236-Y239 HydrophobicContact SD-CD1 4.4Å; Y239-R241 PolarHBondContact O-N 2.84Å
240	M	84.7	Confident	80.6	Confident	49 Å²	49	64.1 Å²	64.1	24%	0.241	33%	0.328	C	S	.	.	H	α-helix	trans	-70.2	-25.1	-175	-77.5	-74.1	-94.2	0	0	114.1	M236 P237 Y242 D243 E244	M236-M240 HydrophobicContact CG-CG 4.11Å; M236-M240 VanDerWaalsContact O-CB 3.27Å; M236-M240 WeakPolarHBondContact O-CB 3.33Å; M236-M240 WeakPolarHBondContact O-CG 3.14Å; M236-M240 PolarHBondContact O-N 3.41Å; M236-M240 HydrophobicContact SD-CG 3.5Å; M236-M240 VanDerWaalsContact SD-CG 3.5Å; M236-M240 HydrophobicContact SD-SD 4.42Å; P237-M240 PolarHBondContact O-N 3.33Å; M240-Y242 VanDerWaalsContact C-N 3.25Å; M240-Y242 PolarHBondContact O-N 3.43Å; M240-Y242 VanDerWaalsContact O-N 3.13Å; M240-D243 CarbonylContact O-C 3.55Å; M240-D243 WeakPolarHBondContact O-CA 3.46Å; M240-D243 PolarHBondContact O-N 3.1Å; M240-E244 PolarHBondContact O-N 3.26Å
241	R	80.2	Confident	79.7	Confident	141 Å²	141	62.9 Å²	62.9	53%	0.532	32%	0.324	S	S	.	.	H	α-helix	trans	-42.9	-48.9	175.8	-87.5	169.2	-171.6	-179.9	0.5	112.7	P237 Y239 D243 E244 E245	P237-R241 WeakPolarHBondContact O-CG 3.4Å; P237-R241 PolarHBondContact O-N 2.85Å; Y239-R241 PolarHBondContact O-N 2.84Å; R241-D243 PolarHBondContact O-N 3.06Å; R241-E244 PolarHBondContact O-N 2.92Å; R241-E245 WeakPolarHBondContact O-CB 3.49Å; R241-E245 VanDerWaalsContact O-CG 3.25Å; R241-E245 WeakPolarHBondContact O-CG 3.16Å; R241-E245 PolarHBondContact O-N 3.33Å
242	Y	74.4	Confident	78.6	Confident	86 Å²	86	63.2 Å²	63.2	34%	0.337	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-41.2	179.6	174.4	-84.8	0	0	0	112.5	P215 M240 E245 K246	P215-Y242 HydrophobicContact CB-CE1 4.33Å; P215-Y242 HydrophobicContact CG-CD1 3.23Å; P215-Y242 HydrophobicContact CG-CD2 3.58Å; P215-Y242 HydrophobicContact CG-CE1 3.21Å; P215-Y242 HydrophobicContact CG-CE2 3.57Å; P215-Y242 HydrophobicContact CG-CG 3.42Å; P215-Y242 VanDerWaalsContact CG-CG 3.42Å; M240-Y242 VanDerWaalsContact C-N 3.25Å; M240-Y242 PolarHBondContact O-N 3.43Å; M240-Y242 VanDerWaalsContact O-N 3.13Å; Y242-E245 WeakPolarHBondContact O-CB 3.27Å; Y242-E245 PolarHBondContact O-N 3.35Å; Y242-K246 HydrophobicContact CD1-CB 4.43Å; Y242-K246 HydrophobicContact CD1-CD 4.3Å; Y242-K246 HydrophobicContact CE1-CB 4.08Å; Y242-K246 HydrophobicContact CE1-CD 3.41Å; Y242-K246 VanDerWaalsContact CE1-CD 3.41Å; Y242-K246 HydrophobicContact CE1-CG 4.39Å; Y242-K246 WeakPolarHBondContact O-CB 3.44Å; Y242-K246 PolarHBondContact O-N 3.01Å
243	D	77.4	Confident	77.5	Confident	18 Å²	18	64.9 Å²	64.9	10%	0.096	33%	0.33	C	S	.	.	H	α-helix	trans	-74.1	-29.8	-178.7	-104.9	13.7	0	0	0	111.6	R218 M240 R241 K246 R247	R218-D243 IonicContact CZ-OD2 2.66Å; R218-D243 VanDerWaalsContact CZ-OD2 3.24Å; R218-D243 IonicContact NH1-OD1 3.79Å; R218-D243 PolarHBondContact NH1-OD1 3.13Å; R218-D243 IonicContact NH1-OD2 3.14Å; R218-D243 PolarHBondContact NH1-OD2 3.47Å; R218-D243 IonicContact NH2-OD2 2.67Å; R218-D243 PolarHBondContact NH2-OD2 3.27Å; M240-D243 CarbonylContact O-C 3.55Å; M240-D243 WeakPolarHBondContact O-CA 3.46Å; M240-D243 PolarHBondContact O-N 3.1Å; R241-D243 PolarHBondContact O-N 3.06Å; D243-K246 PolarHBondContact O-N 3.29Å; D243-K246 IonicContact OD1-NZ 2.84Å; D243-R247 WeakPolarHBondContact O-CB 3.12Å; D243-R247 WeakPolarHBondContact O-CG 3.4Å; D243-R247 PolarHBondContact O-N 3.31Å; D243-R247 IonicContact OD2-NH2 3.95Å
244	E	75.8	Confident	76.3	Confident	105 Å²	105	65.4 Å²	65.4	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-68.1	-46.3	167.4	-69.2	-179.9	173.9	0	0	112.1	M240 R241 K246 R247 T248	M240-E244 PolarHBondContact O-N 3.26Å; R241-E244 PolarHBondContact O-N 2.92Å; E244-K246 PolarHBondContact O-N 3.4Å; E244-R247 PolarHBondContact O-N 2.78Å; E244-T248 WeakPolarHBondContact O-CB 3.18Å; E244-T248 PolarHBondContact O-N 3.11Å; E244-T248 PolarHBondContact O-OG1 3.28Å
245	E	71.5	Confident	75	Confident	64 Å²	64	65.1 Å²	65.1	30%	0.299	31%	0.309	S	S	.	.	H	α-helix	trans	-53.7	-45.5	170.3	-70.3	-144.3	124.3	0	0	110.2	R241 Y242 T248 K249 Y631	R241-E245 WeakPolarHBondContact O-CB 3.49Å; R241-E245 VanDerWaalsContact O-CG 3.25Å; R241-E245 WeakPolarHBondContact O-CG 3.16Å; R241-E245 PolarHBondContact O-N 3.33Å; Y242-E245 WeakPolarHBondContact O-CB 3.27Å; Y242-E245 PolarHBondContact O-N 3.35Å; E245-T248 PolarHBondContact O-N 3.16Å; E245-K249 HydrophobicContact CB-CD 4.37Å; E245-K249 VanDerWaalsContact CD-NZ 3.27Å; E245-K249 WeakPolarHBondContact O-CB 3.25Å; E245-K249 VanDerWaalsContact O-CD 3.32Å; E245-K249 WeakPolarHBondContact O-CD 3.32Å; E245-K249 WeakPolarHBondContact O-CG 3.5Å; E245-K249 PolarHBondContact O-N 3.32Å; E245-K249 IonicContact OE1-NZ 2.65Å; E245-K249 IonicContact OE2-NZ 2.71Å; E245-K249 PolarHBondContact OE2-NZ 3.01Å; E245-Y631 VanDerWaalsContact CD-OH 3.26Å; E245-Y631 VanDerWaalsContact CG-OH 3.28Å; E245-Y631 WeakPolarHBondContact CG-OH 3.42Å; E245-Y631 WeakPolarHBondContact OE1-CE1 3.16Å; E245-Y631 VanDerWaalsContact OE1-CZ 3.26Å; E245-Y631 PolarHBondContact OE1-OH 3.18Å
246	K	74.5	Confident	73.7	Confident	83 Å²	83	65.8 Å²	65.8	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-72.2	-38	-177.1	177.6	174.3	158.6	-157.1	0	112.6	Y242 D243 E244 T248 N250	Y242-K246 HydrophobicContact CD1-CB 4.43Å; Y242-K246 HydrophobicContact CD1-CD 4.3Å; Y242-K246 HydrophobicContact CE1-CB 4.08Å; Y242-K246 HydrophobicContact CE1-CD 3.41Å; Y242-K246 VanDerWaalsContact CE1-CD 3.41Å; Y242-K246 HydrophobicContact CE1-CG 4.39Å; Y242-K246 WeakPolarHBondContact O-CB 3.44Å; Y242-K246 PolarHBondContact O-N 3.01Å; D243-K246 PolarHBondContact O-N 3.29Å; D243-K246 IonicContact OD1-NZ 2.84Å; E244-K246 PolarHBondContact O-N 3.4Å; K246-T248 VanDerWaalsContact C-N 3.33Å; K246-N250 WeakPolarHBondContact O-CB 3.33Å; K246-N250 PolarHBondContact O-N 3.46Å; K246-N250 PolarHBondContact O-ND2 3.13Å; K246-N250 PolarHBondContact O-OD1 2.85Å
247	R	72.6	Confident	72.3	Confident	119 Å²	119	66.1 Å²	66.1	45%	0.449	31%	0.314	S	S	.	.	H	α-helix	trans	-59.9	-45.5	169	-74.9	165.9	-167.6	123.9	2.4	110	D243 E244 N250 T251	D243-R247 WeakPolarHBondContact O-CB 3.12Å; D243-R247 WeakPolarHBondContact O-CG 3.4Å; D243-R247 PolarHBondContact O-N 3.31Å; D243-R247 IonicContact OD2-NH2 3.95Å; E244-R247 PolarHBondContact O-N 2.78Å; R247-N250 CarbonylContact O-C 3.57Å; R247-N250 PolarHBondContact O-N 2.88Å; R247-T251 PolarHBondContact O-N 2.82Å; R247-T251 PolarHBondContact O-OG1 3.45Å
248	T	70.6	Confident	70.8	Confident	33 Å²	33	68 Å²	68	20%	0.202	32%	0.316	C	S	.	.	H	α-helix	trans	-68.7	-40.3	-179	-57.3	0	0	0	0	113	E244 E245 K246 T251 L252 Y628 Y631	E244-T248 WeakPolarHBondContact O-CB 3.18Å; E244-T248 PolarHBondContact O-N 3.11Å; E244-T248 PolarHBondContact O-OG1 3.28Å; E245-T248 PolarHBondContact O-N 3.16Å; K246-T248 VanDerWaalsContact C-N 3.33Å; T248-T251 PolarHBondContact O-N 3.28Å; T248-T251 PolarHBondContact O-OG1 3.03Å; T248-L252 PolarHBondContact O-N 3.44Å; T248-L252 VanDerWaalsContact O-N 3.09Å; T248-Y628 HydrophobicContact CG2-CD1 4.15Å; T248-Y628 HydrophobicContact CG2-CE1 3.27Å; T248-Y631 HydrophobicContact CG2-CE2 4.2Å
249	K	70.5	Confident	69.8	Low	49 Å²	49	69.7 Å²	69.7	21%	0.213	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-45.9	169.5	-75.7	162.6	-171.4	173.2	0	110	E245 T251 L252 F253 Y631	E245-K249 HydrophobicContact CB-CD 4.37Å; E245-K249 VanDerWaalsContact CD-NZ 3.27Å; E245-K249 WeakPolarHBondContact O-CB 3.25Å; E245-K249 VanDerWaalsContact O-CD 3.32Å; E245-K249 WeakPolarHBondContact O-CD 3.32Å; E245-K249 WeakPolarHBondContact O-CG 3.5Å; E245-K249 PolarHBondContact O-N 3.32Å; E245-K249 IonicContact OE1-NZ 2.65Å; E245-K249 IonicContact OE2-NZ 2.71Å; E245-K249 PolarHBondContact OE2-NZ 3.01Å; K249-T251 PolarHBondContact O-N 3.22Å; K249-L252 WeakPolarHBondContact O-CB 3.21Å; K249-L252 PolarHBondContact O-N 3.06Å; K249-F253 HydrophobicContact CB-CD2 4.35Å; K249-F253 HydrophobicContact CB-CE1 4.45Å; K249-F253 HydrophobicContact CB-CE2 3.59Å; K249-F253 HydrophobicContact CB-CZ 3.62Å; K249-F253 HydrophobicContact CG-CE2 4.32Å; K249-F253 HydrophobicContact CG-CZ 3.93Å; K249-F253 WeakPolarHBondContact O-CB 3.11Å; K249-F253 WeakPolarHBondContact O-CD1 3.19Å; K249-F253 WeakPolarHBondContact O-CD2 3.14Å; K249-F253 WeakPolarHBondContact O-CG 3.32Å; K249-F253 PolarHBondContact O-N 3.43Å; K249-Y631 HydrophobicContact CG-CD2 4.13Å; K249-Y631 HydrophobicContact CG-CG 4.12Å
250	N	68.6	Low	68.9	Low	90 Å²	90	70.3 Å²	70.3	48%	0.481	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-35.6	177	-72.6	-16.1	0	0	0	113.3	K246 R247 F253 R254	K246-N250 WeakPolarHBondContact O-CB 3.33Å; K246-N250 PolarHBondContact O-N 3.46Å; K246-N250 PolarHBondContact O-ND2 3.13Å; K246-N250 PolarHBondContact O-OD1 2.85Å; R247-N250 CarbonylContact O-C 3.57Å; R247-N250 PolarHBondContact O-N 2.88Å; N250-F253 PolarHBondContact O-N 3.43Å; N250-R254 WeakPolarHBondContact O-CB 3.28Å; N250-R254 PolarHBondContact O-N 2.96Å
251	T	69.2	Low	68.1	Low	54 Å²	54	72.2 Å²	72.2	33%	0.331	34%	0.336	S	S	.	.	H	α-helix	trans	-69.3	-44	174.1	51.7	0	0	0	0	111.6	R247 T248 K249 F253 D255	R247-T251 PolarHBondContact O-N 2.82Å; R247-T251 PolarHBondContact O-OG1 3.45Å; T248-T251 PolarHBondContact O-N 3.28Å; T248-T251 PolarHBondContact O-OG1 3.03Å; K249-T251 PolarHBondContact O-N 3.22Å; T251-F253 VanDerWaalsContact C-N 3.27Å; T251-F253 PolarHBondContact O-N 2.92Å; T251-D255 WeakPolarHBondContact O-CB 3.14Å; T251-D255 PolarHBondContact O-N 2.87Å
252	L	66.8	Low	67.5	Low	16 Å²	16	68 Å²	68	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-52.3	-44.5	168.9	-87.6	174.1	0	0	0	112.2	T248 K249 C256 V529 L532 Y628 Y631	T248-L252 PolarHBondContact O-N 3.44Å; T248-L252 VanDerWaalsContact O-N 3.09Å; K249-L252 WeakPolarHBondContact O-CB 3.21Å; K249-L252 PolarHBondContact O-N 3.06Å; L252-C256 WeakPolarHBondContact O-CB 3Å; L252-C256 PolarHBondContact O-N 3.38Å; L252-C256 PolarHBondContact O-SG 3.26Å; L252-V529 HydrophobicContact CD2-CG2 4.36Å; L252-L532 HydrophobicContact CD2-CD2 3.47Å; L252-L532 VanDerWaalsContact CD2-CD2 3.47Å; L252-L532 HydrophobicContact CG-CD2 3.58Å; L252-Y628 HydrophobicContact CD1-CD1 4.13Å; L252-Y628 HydrophobicContact CG-CD1 4.48Å; L252-Y631 HydrophobicContact CD1-CD2 4.37Å
253	F	64.1	Low	67.4	Low	47 Å²	47	65 Å²	65	21%	0.206	32%	0.317	C	S	.	.	H	α-helix	trans	-84.8	-35.9	-170.8	-52.9	-17.4	0	0	0	113.1	K249 N250 T251 D255 C256 F257 Q635	K249-F253 HydrophobicContact CB-CD2 4.35Å; K249-F253 HydrophobicContact CB-CE1 4.45Å; K249-F253 HydrophobicContact CB-CE2 3.59Å; K249-F253 HydrophobicContact CB-CZ 3.62Å; K249-F253 HydrophobicContact CG-CE2 4.32Å; K249-F253 HydrophobicContact CG-CZ 3.93Å; K249-F253 WeakPolarHBondContact O-CB 3.11Å; K249-F253 WeakPolarHBondContact O-CD1 3.19Å; K249-F253 WeakPolarHBondContact O-CD2 3.14Å; K249-F253 WeakPolarHBondContact O-CG 3.32Å; K249-F253 PolarHBondContact O-N 3.43Å; N250-F253 PolarHBondContact O-N 3.43Å; T251-F253 VanDerWaalsContact C-N 3.27Å; T251-F253 PolarHBondContact O-N 2.92Å; F253-D255 VanDerWaalsContact C-N 3.32Å; F253-D255 PolarHBondContact O-N 3.48Å; F253-C256 PolarHBondContact O-N 2.84Å; F253-C256 VanDerWaalsContact O-N 3.14Å; F253-F257 HydrophobicContact CB-CD2 4.37Å; F253-F257 PolarHBondContact O-N 2.82Å; F253-Q635 HydrophobicContact CD1-CG 4.32Å; F253-Q635 HydrophobicContact CE1-CG 3.42Å; F253-Q635 VanDerWaalsContact CE1-CG 3.42Å; F253-Q635 HydrophobicContact CE2-CG 4.1Å; F253-Q635 HydrophobicContact CZ-CG 3.28Å
254	R	62.8	Low	67.3	Low	130 Å²	130	67.4 Å²	67.4	49%	0.491	33%	0.328	S	S	.	.	I	π-helix	trans	-54.8	-52.3	172.6	-177.8	-170.7	69.6	-170.8	-1.8	110	N250 C256 E258	N250-R254 WeakPolarHBondContact O-CB 3.28Å; N250-R254 PolarHBondContact O-N 2.96Å; R254-C256 PolarHBondContact O-N 3.09Å; R254-E258 HydrophobicContact CG-CB 4.41Å; R254-E258 PolarHBondContact O-N 3.41Å
255	D	62.4	Low	67.3	Low	84 Å²	84	65.5 Å²	65.5	45%	0.449	32%	0.321	S	S	.	.	I	π-helix	trans	-74.2	-3.8	-176.9	-60.8	14	0	0	0	112.5	T251 F253 R528	T251-D255 WeakPolarHBondContact O-CB 3.14Å; T251-D255 PolarHBondContact O-N 2.87Å; F253-D255 VanDerWaalsContact C-N 3.32Å; F253-D255 PolarHBondContact O-N 3.48Å; D255-R528 PolarHBondContact O-NH1 3.41Å
256	C	60.3	Low	67.7	Low	30 Å²	30	65.7 Å²	65.7	20%	0.203	32%	0.324	C	S	.	.	I	π-helix	trans	-111.9	-34	176	-72.8	0	0	0	0	115.2	L252 F253 R254	L252-C256 WeakPolarHBondContact O-CB 3Å; L252-C256 PolarHBondContact O-N 3.38Å; L252-C256 PolarHBondContact O-SG 3.26Å; F253-C256 PolarHBondContact O-N 2.84Å; F253-C256 VanDerWaalsContact O-N 3.14Å; R254-C256 PolarHBondContact O-N 3.09Å
257	F	57.7	Low	67.9	Low	65 Å²	65	62.6 Å²	62.6	29%	0.285	31%	0.311	S	S	.	.	I	π-helix	trans	-125.5	-35.8	-167.6	-69.5	-81.4	0	0	0	114.5	F253 D259 I260 D261	F253-F257 HydrophobicContact CB-CD2 4.37Å; F253-F257 PolarHBondContact O-N 2.82Å; F257-D259 VanDerWaalsContact C-N 3.33Å; F257-D259 PolarHBondContact O-N 2.72Å; F257-I260 PolarHBondContact O-N 3.35Å; F257-D261 PolarHBondContact O-N 2.87Å
258	E	55	Low	68.2	Low	114 Å²	114	63.1 Å²	63.1	53%	0.533	32%	0.317	S	S	.	.	I	π-helix	trans	-66.7	-34.1	-174.3	-72.2	-160.3	155.4	0	0	112.5	R254 I260 S262	R254-E258 HydrophobicContact CG-CB 4.41Å; R254-E258 PolarHBondContact O-N 3.41Å; E258-I260 VanDerWaalsContact C-N 3.33Å; E258-I260 PolarHBondContact O-N 3.48Å; E258-S262 WeakPolarHBondContact O-CB 3.29Å; E258-S262 PolarHBondContact O-N 3.31Å; E258-S262 PolarHBondContact O-OG 2.63Å
259	D	61.8	Low	68.8	Low	70 Å²	70	70 Å²	70	37%	0.374	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-39.5	171	-75.6	-33.4	0	0	0	112.1	F257 S262 M263	F257-D259 VanDerWaalsContact C-N 3.33Å; F257-D259 PolarHBondContact O-N 2.72Å; D259-S262 PolarHBondContact O-OG 2.6Å; D259-M263 VanDerWaalsContact O-CB 3.22Å; D259-M263 WeakPolarHBondContact O-CB 3.4Å; D259-M263 WeakPolarHBondContact O-CG 3.49Å; D259-M263 PolarHBondContact O-N 2.75Å; D259-M263 VanDerWaalsContact O-N 3.09Å
260	I	66.8	Low	69.2	Low	29 Å²	29	68.4 Å²	68.4	15%	0.149	34%	0.339	C	S	.	.	H	α-helix	trans	-70.2	-50.5	-179.2	-64.3	178.2	0	0	0	110.5	F257 E258 M263 Q264 H286	F257-I260 PolarHBondContact O-N 3.35Å; E258-I260 VanDerWaalsContact C-N 3.33Å; E258-I260 PolarHBondContact O-N 3.48Å; I260-M263 PolarHBondContact O-N 3.23Å; I260-Q264 WeakPolarHBondContact O-CB 3.34Å; I260-Q264 WeakPolarHBondContact O-CG 3.02Å; I260-Q264 PolarHBondContact O-N 3.48Å; I260-H286 HydrophobicContact CG1-CB 4.3Å
261	D	66.8	Low	69.8	Low	90 Å²	90	74.7 Å²	74.7	48%	0.481	36%	0.356	S	S	.	.	H	α-helix	trans	-70.7	-36.8	-176.8	-86.3	-11.2	0	0	0	112.3	F257 Q264 N265	F257-D261 PolarHBondContact O-N 2.87Å; D261-Q264 PolarHBondContact O-N 3.14Å; D261-N265 WeakPolarHBondContact O-CB 3.34Å; D261-N265 PolarHBondContact O-N 3.34Å; D261-N265 PolarHBondContact O-ND2 2.88Å
262	S	69	Low	70.6	Confident	52 Å²	52	75 Å²	75	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-63.9	-47	173.6	64.1	0	0	0	0	111.3	E258 D259 Q264 N265 L266	E258-S262 WeakPolarHBondContact O-CB 3.29Å; E258-S262 PolarHBondContact O-N 3.31Å; E258-S262 PolarHBondContact O-OG 2.63Å; D259-S262 PolarHBondContact O-OG 2.6Å; S262-Q264 PolarHBondContact O-N 3.27Å; S262-N265 PolarHBondContact O-N 2.83Å; S262-N265 VanDerWaalsContact O-N 3.14Å; S262-L266 WeakPolarHBondContact O-CG 3.22Å; S262-L266 PolarHBondContact O-N 3.09Å
263	M	71.6	Confident	71.4	Confident	22 Å²	22	82.9 Å²	82.9	11%	0.108	40%	0.399	C	S	.	.	H	α-helix	trans	-64.9	-39.1	176.8	-67.7	-66.9	158.1	0	0	112.2	D259 I260 N265 L266 V267 Y278 L282 P447	D259-M263 VanDerWaalsContact O-CB 3.22Å; D259-M263 WeakPolarHBondContact O-CB 3.4Å; D259-M263 WeakPolarHBondContact O-CG 3.49Å; D259-M263 PolarHBondContact O-N 2.75Å; D259-M263 VanDerWaalsContact O-N 3.09Å; I260-M263 PolarHBondContact O-N 3.23Å; M263-N265 VanDerWaalsContact C-N 3.3Å; M263-N265 PolarHBondContact O-N 2.95Å; M263-L266 HydrophobicContact CE-CD1 4.29Å; M263-L266 PolarHBondContact O-N 3.37Å; M263-L266 HydrophobicContact SD-CD1 3.88Å; M263-V267 WeakPolarHBondContact O-CG2 3.37Å; M263-V267 PolarHBondContact O-N 3.29Å; M263-Y278 HydrophobicContact SD-CD1 4.28Å; M263-L282 HydrophobicContact CB-CD1 4.3Å; M263-P447 HydrophobicContact CE-CG 3.78Å; M263-P447 HydrophobicContact SD-CG 4.26Å
264	Q	75.4	Confident	72.4	Confident	70 Å²	70	87.3 Å²	87.3	33%	0.327	42%	0.418	S	S	.	.	H	α-helix	trans	-61.3	-38.1	172	-79.3	-169.8	39.9	0	0	112.4	I260 D261 S262 V267 K268 L282	I260-Q264 WeakPolarHBondContact O-CB 3.34Å; I260-Q264 WeakPolarHBondContact O-CG 3.02Å; I260-Q264 PolarHBondContact O-N 3.48Å; D261-Q264 PolarHBondContact O-N 3.14Å; S262-Q264 PolarHBondContact O-N 3.27Å; Q264-V267 WeakPolarHBondContact O-CB 3.35Å; Q264-V267 PolarHBondContact O-N 3.21Å; Q264-K268 WeakPolarHBondContact O-CG 3.41Å; Q264-K268 PolarHBondContact O-N 2.68Å; Q264-K268 VanDerWaalsContact O-N 3.09Å; Q264-L282 HydrophobicContact CG-CD2 3.79Å
265	N	76.1	Confident	73.5	Confident	64 Å²	64	84.8 Å²	84.8	34%	0.342	41%	0.411	S	S	.	.	H	α-helix	trans	-71.1	-37.8	176.1	-69.7	-35.6	0	0	0	111.7	D261 S262 M263 V267 K268 F269	D261-N265 WeakPolarHBondContact O-CB 3.34Å; D261-N265 PolarHBondContact O-N 3.34Å; D261-N265 PolarHBondContact O-ND2 2.88Å; S262-N265 PolarHBondContact O-N 2.83Å; S262-N265 VanDerWaalsContact O-N 3.14Å; M263-N265 VanDerWaalsContact C-N 3.3Å; M263-N265 PolarHBondContact O-N 2.95Å; N265-V267 VanDerWaalsContact C-N 3.33Å; N265-V267 PolarHBondContact O-N 2.87Å; N265-K268 WeakPolarHBondContact O-CB 3.06Å; N265-K268 PolarHBondContact O-N 3.42Å; N265-K268 PolarHBondContact OD1-NZ 3.38Å; N265-F269 WeakPolarHBondContact O-CD2 3.49Å; N265-F269 PolarHBondContact O-N 3.49Å
266	L	78.3	Confident	74.7	Confident	69 Å²	69	86.3 Å²	86.3	36%	0.361	41%	0.41	S	S	.	.	H	α-helix	trans	-59.7	-40.2	169.3	-68.7	171	0	0	0	111.9	S262 M263 K268 F269 S270 Y278	S262-L266 WeakPolarHBondContact O-CG 3.22Å; S262-L266 PolarHBondContact O-N 3.09Å; M263-L266 HydrophobicContact CE-CD1 4.29Å; M263-L266 PolarHBondContact O-N 3.37Å; M263-L266 HydrophobicContact SD-CD1 3.88Å; L266-K268 VanDerWaalsContact C-N 3.3Å; L266-K268 PolarHBondContact O-N 3.09Å; L266-F269 PolarHBondContact O-N 3.5Å; L266-S270 WeakPolarHBondContact O-CB 3.18Å; L266-S270 PolarHBondContact O-N 2.88Å; L266-Y278 HydrophobicContact CB-CD1 4.34Å; L266-Y278 HydrophobicContact CB-CD2 4.28Å; L266-Y278 HydrophobicContact CB-CE1 4.3Å; L266-Y278 HydrophobicContact CB-CE2 4.26Å; L266-Y278 HydrophobicContact CB-CG 4.35Å; L266-Y278 HydrophobicContact CD1-CE1 4.03Å
267	V	80.2	Confident	76.1	Confident	17 Å²	17	88.1 Å²	88.1	10%	0.103	41%	0.413	C	S	.	.	H	α-helix	trans	-61.4	-33.4	171.9	170.1	0	0	0	0	112.6	M263 Q264 N265 K275 R279	M263-V267 WeakPolarHBondContact O-CG2 3.37Å; M263-V267 PolarHBondContact O-N 3.29Å; Q264-V267 WeakPolarHBondContact O-CB 3.35Å; Q264-V267 PolarHBondContact O-N 3.21Å; N265-V267 VanDerWaalsContact C-N 3.33Å; N265-V267 PolarHBondContact O-N 2.87Å; V267-K275 VanDerWaalsContact O-CE 3.29Å; V267-K275 WeakPolarHBondContact O-CE 3.19Å; V267-R279 HydrophobicContact CG1-CG 3.68Å; V267-R279 HydrophobicContact CG2-CG 4.08Å
268	K	79.1	Confident	77.6	Confident	131 Å²	131	87.4 Å²	87.4	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-72.9	-44.1	177.7	-68.5	165.4	-158.8	162.7	0	112.2	Q264 N265 L266	Q264-K268 WeakPolarHBondContact O-CG 3.41Å; Q264-K268 PolarHBondContact O-N 2.68Å; Q264-K268 VanDerWaalsContact O-N 3.09Å; N265-K268 WeakPolarHBondContact O-CB 3.06Å; N265-K268 PolarHBondContact O-N 3.42Å; N265-K268 PolarHBondContact OD1-NZ 3.38Å; L266-K268 VanDerWaalsContact C-N 3.3Å; L266-K268 PolarHBondContact O-N 3.09Å
269	F	81.4	Confident	79.1	Confident	177 Å²	177	88.9 Å²	88.9	78%	0.776	41%	0.409	S	S	*	.	H	α-helix	trans	-81.3	-23.7	-178.1	-68.5	-66.3	0	0	0	113.9	N265 L266	N265-F269 WeakPolarHBondContact O-CD2 3.49Å; N265-F269 PolarHBondContact O-N 3.49Å; L266-F269 PolarHBondContact O-N 3.5Å
270	S	80.2	Confident	80.4	Confident	15 Å²	15	88.2 Å²	88.2	11%	0.105	41%	0.405	C	S	.	.			trans	-76.2	150	-178	-175.2	0	0	0	0	113.9	L266 K274 K275	L266-S270 WeakPolarHBondContact O-CB 3.18Å; L266-S270 PolarHBondContact O-N 2.88Å; S270-K274 WeakPolarHBondContact OG-CB 3.29Å; S270-K275 WeakPolarHBondContact O-CD 3.17Å; S270-K275 WeakPolarHBondContact OG-CA 3.34Å; S270-K275 PolarHBondContact OG-N 3.47Å
271	R	79.8	Confident	81.4	Confident	222 Å²	222	87.6 Å²	87.6	84%	0.838	40%	0.4	S	S	*	.			trans	-127.2	163.5	174.4	-74.2	-177	164.9	120	-8.7	111.2
272	G	86.2	Confident	82.4	Confident	60 Å²	60	84.2 Å²	84.2	62%	0.619	38%	0.382	S	S	*	.	H	α-helix	trans	56.7	-148	177.6	0	0	0	0	0	114.1	K274 K275 W276	G272-K274 VanDerWaalsContact C-N 3.25Å; G272-K274 PolarHBondContact O-N 3.24Å; G272-K275 VanDerWaalsContact O-CB 3.3Å; G272-K275 WeakPolarHBondContact O-CB 3.22Å; G272-K275 PolarHBondContact O-N 3.14Å; G272-W276 PolarHBondContact O-N 2.92Å
273	W	85.2	Confident	83.3	Confident	182 Å²	182	84.4 Å²	84.4	69%	0.689	38%	0.377	S	S	*	.	H	α-helix	trans	-50	-41.2	-179.7	-176.9	-105.1	0	0	0	113.7	K275 W276 R277	W273-K275 PolarHBondContact O-N 2.96Å; W273-W276 HydrophobicContact CD2-CE3 4.28Å; W273-W276 HydrophobicContact CE3-CE3 4.08Å; W273-W276 AromaticContact CH2-CE3 3.85Å; W273-W276 HydrophobicContact CH2-CE3 3.85Å; W273-W276 HydrophobicContact CH2-CH2 4.14Å; W273-W276 AromaticContact CH2-CZ3 3.44Å; W273-W276 HydrophobicContact CH2-CZ3 3.44Å; W273-W276 VanDerWaalsContact CH2-CZ3 3.44Å; W273-W276 HydrophobicContact CZ2-CE3 4.05Å; W273-W276 AromaticContact CZ2-CZ3 3.66Å; W273-W276 HydrophobicContact CZ2-CZ3 3.66Å; W273-W276 AromaticContact CZ3-CE3 3.87Å; W273-W276 HydrophobicContact CZ3-CE3 3.87Å; W273-W276 AromaticContact CZ3-CZ3 3.91Å; W273-W276 HydrophobicContact CZ3-CZ3 3.91Å; W273-W276 PolarHBondContact O-N 3.37Å; W273-W276 VanDerWaalsContact O-N 3.13Å; W273-R277 PolarHBondContact O-N 3.45Å
274	K	84.3	Confident	84	Confident	140 Å²	140	84.1 Å²	84.1	61%	0.609	38%	0.375	S	S	*	.	H	α-helix	trans	-57.5	-37.9	177.3	-67.5	-175.8	-180	-178.4	0	111.7	S270 G272 R277 Y278	S270-K274 WeakPolarHBondContact OG-CB 3.29Å; G272-K274 VanDerWaalsContact C-N 3.25Å; G272-K274 PolarHBondContact O-N 3.24Å; K274-R277 PolarHBondContact O-N 3.46Å; K274-Y278 HydrophobicContact CB-CE2 4.32Å; K274-Y278 WeakPolarHBondContact O-CD2 3.38Å; K274-Y278 PolarHBondContact O-N 2.83Å
275	K	86.5	Confident	84.4	Confident	78 Å²	78	81.6 Å²	81.6	34%	0.339	36%	0.364	S	S	.	.	H	α-helix	trans	-67.4	-39.4	178.4	-166.4	-177.8	-163.4	170.3	0	112.1	V267 S270 G272 W273 R279	V267-K275 VanDerWaalsContact O-CE 3.29Å; V267-K275 WeakPolarHBondContact O-CE 3.19Å; S270-K275 WeakPolarHBondContact O-CD 3.17Å; S270-K275 WeakPolarHBondContact OG-CA 3.34Å; S270-K275 PolarHBondContact OG-N 3.47Å; G272-K275 VanDerWaalsContact O-CB 3.3Å; G272-K275 WeakPolarHBondContact O-CB 3.22Å; G272-K275 PolarHBondContact O-N 3.14Å; W273-K275 PolarHBondContact O-N 2.96Å; K275-R279 WeakPolarHBondContact O-CG 3.39Å; K275-R279 PolarHBondContact O-N 3.01Å
276	W	86.8	Confident	84.7	Confident	115 Å²	115	79.5 Å²	79.5	44%	0.436	35%	0.352	S	S	.	.	H	α-helix	trans	-66.9	-47.2	174.4	179.3	85.3	0	0	0	110.8	G272 W273 Y278 R279 M280 L445	G272-W276 PolarHBondContact O-N 2.92Å; W273-W276 HydrophobicContact CD2-CE3 4.28Å; W273-W276 HydrophobicContact CE3-CE3 4.08Å; W273-W276 AromaticContact CH2-CE3 3.85Å; W273-W276 HydrophobicContact CH2-CE3 3.85Å; W273-W276 HydrophobicContact CH2-CH2 4.14Å; W273-W276 AromaticContact CH2-CZ3 3.44Å; W273-W276 HydrophobicContact CH2-CZ3 3.44Å; W273-W276 VanDerWaalsContact CH2-CZ3 3.44Å; W273-W276 HydrophobicContact CZ2-CE3 4.05Å; W273-W276 AromaticContact CZ2-CZ3 3.66Å; W273-W276 HydrophobicContact CZ2-CZ3 3.66Å; W273-W276 AromaticContact CZ3-CE3 3.87Å; W273-W276 HydrophobicContact CZ3-CE3 3.87Å; W273-W276 AromaticContact CZ3-CZ3 3.91Å; W273-W276 HydrophobicContact CZ3-CZ3 3.91Å; W273-W276 PolarHBondContact O-N 3.37Å; W273-W276 VanDerWaalsContact O-N 3.13Å; W276-Y278 PolarHBondContact O-N 3.14Å; W276-R279 WeakPolarHBondContact O-CB 2.95Å; W276-R279 PolarHBondContact O-N 3.05Å; W276-M280 HydrophobicContact CD2-CG 3.86Å; W276-M280 VanDerWaalsContact CE2-CG 3.48Å; W276-M280 HydrophobicContact CE3-CG 4.34Å; W276-M280 HydrophobicContact CG-CG 4.35Å; W276-M280 HydrophobicContact CH2-CG 4.16Å; W276-M280 HydrophobicContact CZ2-CG 3.66Å; W276-M280 HydrophobicContact CZ2-SD 4.15Å; W276-M280 HydrophobicContact CZ3-CG 4.47Å; W276-M280 WeakPolarHBondContact O-CG 3.5Å; W276-M280 PolarHBondContact O-N 3.32Å; W276-L445 HydrophobicContact CZ3-CD2 4.08Å
277	R	90.3	Very high	84.8	Confident	69 Å²	69	77 Å²	77	26%	0.26	34%	0.34	S	S	.	.	H	α-helix	trans	-53.1	-52	175.2	178.3	172.9	171.4	-163.8	-3.3	112.6	W273 K274 R279 M280 W281 L445 A446 P447	W273-R277 PolarHBondContact O-N 3.45Å; K274-R277 PolarHBondContact O-N 3.46Å; R277-R279 VanDerWaalsContact C-N 3.3Å; R277-R279 PolarHBondContact O-N 3.33Å; R277-M280 PolarHBondContact O-N 2.8Å; R277-W281 WeakPolarHBondContact O-CB 3.43Å; R277-W281 PolarHBondContact O-N 3.17Å; R277-L445 HydrophobicContact CB-CD2 4.34Å; R277-L445 HydrophobicContact CG-CD2 4.03Å; R277-L445 WeakPolarHBondContact CG-O 3.3Å; R277-L445 PolarHBondContact NE-O 3.46Å; R277-A446 PolarHBondContact NH2-O 2.88Å; R277-P447 PolarHBondContact NH2-O 3.14Å
278	Y	87.7	Confident	84.6	Confident	50 Å²	50	79.8 Å²	79.8	20%	0.196	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-32.9	177.6	-67.9	-59.8	0	0	0	113.1	M263 L266 K274 W276 L282 P447	M263-Y278 HydrophobicContact SD-CD1 4.28Å; L266-Y278 HydrophobicContact CB-CD1 4.34Å; L266-Y278 HydrophobicContact CB-CD2 4.28Å; L266-Y278 HydrophobicContact CB-CE1 4.3Å; L266-Y278 HydrophobicContact CB-CE2 4.26Å; L266-Y278 HydrophobicContact CB-CG 4.35Å; L266-Y278 HydrophobicContact CD1-CE1 4.03Å; K274-Y278 HydrophobicContact CB-CE2 4.32Å; K274-Y278 WeakPolarHBondContact O-CD2 3.38Å; K274-Y278 PolarHBondContact O-N 2.83Å; W276-Y278 PolarHBondContact O-N 3.14Å; Y278-L282 VanDerWaalsContact O-CB 3.23Å; Y278-L282 WeakPolarHBondContact O-CB 3.36Å; Y278-L282 PolarHBondContact O-N 3.34Å; Y278-P447 HydrophobicContact CE1-CB 4.07Å
279	R	86.8	Confident	84.7	Confident	144 Å²	144	75.2 Å²	75.2	54%	0.543	35%	0.345	S	S	.	.	H	α-helix	trans	-68.5	-45	174.7	-80.3	179.9	168.4	-162.2	-5.6	112.5	V267 K275 W276 R277 L282 F283	V267-R279 HydrophobicContact CG1-CG 3.68Å; V267-R279 HydrophobicContact CG2-CG 4.08Å; K275-R279 WeakPolarHBondContact O-CG 3.39Å; K275-R279 PolarHBondContact O-N 3.01Å; W276-R279 WeakPolarHBondContact O-CB 2.95Å; W276-R279 PolarHBondContact O-N 3.05Å; R277-R279 VanDerWaalsContact C-N 3.3Å; R277-R279 PolarHBondContact O-N 3.33Å; R279-L282 PolarHBondContact O-N 3.31Å; R279-F283 WeakPolarHBondContact O-CB 3.43Å; R279-F283 PolarHBondContact O-N 2.95Å
280	M	89.7	Confident	84.9	Confident	57 Å²	57	69.1 Å²	69.1	28%	0.281	32%	0.324	S	S	.	.	H	α-helix	trans	-68	-39.3	178.4	-63	-65.3	92	0	0	111.3	W276 R277 F283 M284 L445	W276-M280 HydrophobicContact CD2-CG 3.86Å; W276-M280 VanDerWaalsContact CE2-CG 3.48Å; W276-M280 HydrophobicContact CE3-CG 4.34Å; W276-M280 HydrophobicContact CG-CG 4.35Å; W276-M280 HydrophobicContact CH2-CG 4.16Å; W276-M280 HydrophobicContact CZ2-CG 3.66Å; W276-M280 HydrophobicContact CZ2-SD 4.15Å; W276-M280 HydrophobicContact CZ3-CG 4.47Å; W276-M280 WeakPolarHBondContact O-CG 3.5Å; W276-M280 PolarHBondContact O-N 3.32Å; R277-M280 PolarHBondContact O-N 2.8Å; M280-F283 PolarHBondContact O-N 2.88Å; M280-M284 WeakPolarHBondContact O-CB 3.4Å; M280-M284 WeakPolarHBondContact O-CG 3.38Å; M280-M284 PolarHBondContact O-N 3.37Å; M280-L445 HydrophobicContact CB-CD1 3.58Å; M280-L445 HydrophobicContact CB-CD2 3.8Å; M280-L445 HydrophobicContact CB-CG 4.34Å
281	W	88.9	Confident	85.2	Confident	16 Å²	16	74.7 Å²	74.7	6%	0.061	35%	0.352	C	S	.	.	H	α-helix	trans	-56.3	-51.5	170.5	-179.9	-108.5	0	0	0	112.2	R277 F283 M284 D285 K442 L445 A446 F452	R277-W281 WeakPolarHBondContact O-CB 3.43Å; R277-W281 PolarHBondContact O-N 3.17Å; W281-F283 PolarHBondContact O-N 3.22Å; W281-M284 PolarHBondContact O-N 3.47Å; W281-D285 HydrophobicContact CD2-CB 4.47Å; W281-D285 HydrophobicContact CH2-CB 4.13Å; W281-D285 HydrophobicContact CZ2-CB 3.98Å; W281-D285 HydrophobicContact CZ3-CB 4.44Å; W281-D285 PolarHBondContact O-N 3.09Å; W281-K442 HydrophobicContact CZ3-CB 4.26Å; W281-K442 HydrophobicContact CZ3-CG 4.47Å; W281-K442 WeakPolarHBondContact CZ3-O 3.45Å; W281-L445 HydrophobicContact CB-CB 4.39Å; W281-L445 HydrophobicContact CE3-CB 4.02Å; W281-A446 VanDerWaalsContact CE3-CA 3.44Å; W281-A446 HydrophobicContact CE3-CB 4.08Å; W281-A446 HydrophobicContact CH2-CB 3.78Å; W281-A446 HydrophobicContact CZ2-CB 4.44Å; W281-A446 VanDerWaalsContact CZ3-CA 3.49Å; W281-A446 HydrophobicContact CZ3-CB 3.57Å; W281-F452 AromaticContact CH2-CD2 3.53Å; W281-F452 HydrophobicContact CH2-CD2 3.53Å; W281-F452 AromaticContact CH2-CE2 3.77Å; W281-F452 HydrophobicContact CH2-CE2 3.77Å; W281-F452 HydrophobicContact CH2-CG 4.02Å; W281-F452 HydrophobicContact CH2-CZ 4.46Å; W281-F452 HydrophobicContact CZ2-CD2 4.37Å; W281-F452 HydrophobicContact CZ3-CD2 4.41Å; W281-F452 HydrophobicContact CZ3-CE2 4.4Å
282	L	86.1	Confident	85.7	Confident	19 Å²	19	66.6 Å²	66.6	10%	0.099	33%	0.333	C	S	.	.	H	α-helix	trans	-63.3	-29.5	178.8	-176.6	65.3	0	0	0	112.9	M263 Q264 Y278 R279 H286 S289	M263-L282 HydrophobicContact CB-CD1 4.3Å; Q264-L282 HydrophobicContact CG-CD2 3.79Å; Y278-L282 VanDerWaalsContact O-CB 3.23Å; Y278-L282 WeakPolarHBondContact O-CB 3.36Å; Y278-L282 PolarHBondContact O-N 3.34Å; R279-L282 PolarHBondContact O-N 3.31Å; L282-H286 HydrophobicContact CD1-CB 4.09Å; L282-S289 WeakPolarHBondContact O-CB 3.41Å; L282-S289 PolarHBondContact O-OG 2.85Å
283	F	88.9	Confident	85.9	Confident	56 Å²	56	63.8 Å²	63.8	25%	0.246	30%	0.303	C	S	.	.	H	α-helix	trans	-74.7	-40.2	173.5	163.7	-99.6	0	0	0	112.9	R279 M280 W281 A292 A293 W296	R279-F283 WeakPolarHBondContact O-CB 3.43Å; R279-F283 PolarHBondContact O-N 2.95Å; M280-F283 PolarHBondContact O-N 2.88Å; W281-F283 PolarHBondContact O-N 3.22Å; F283-A292 HydrophobicContact CD2-CB 4.26Å; F283-A292 HydrophobicContact CE2-CB 3.81Å; F283-A293 HydrophobicContact CD2-CB 3.99Å; F283-A293 WeakPolarHBondContact O-CB 3.33Å; F283-W296 HydrophobicContact CE1-CB 4.48Å; F283-W296 HydrophobicContact CE1-CD2 4.4Å; F283-W296 HydrophobicContact CE1-CG 4.07Å; F283-W296 HydrophobicContact CE2-CB 4.01Å; F283-W296 HydrophobicContact CE2-CG 4.46Å; F283-W296 HydrophobicContact CZ-CB 3.7Å; F283-W296 HydrophobicContact CZ-CD2 4.24Å; F283-W296 AromaticContact CZ-CG 3.75Å; F283-W296 HydrophobicContact CZ-CG 3.75Å
284	M	86.7	Confident	86	Confident	15 Å²	15	60.8 Å²	60.8	7%	0.074	30%	0.295	C	S	.	.	H	α-helix	trans	-85.5	-29.5	-174.5	-71.2	-171.2	77.6	0	0	115.3	M280 W281 W296 E438 L441 K442 L445	M280-M284 WeakPolarHBondContact O-CB 3.4Å; M280-M284 WeakPolarHBondContact O-CG 3.38Å; M280-M284 PolarHBondContact O-N 3.37Å; W281-M284 PolarHBondContact O-N 3.47Å; M284-W296 HydrophobicContact CE-CZ2 4.47Å; M284-E438 HydrophobicContact CE-CG 4.19Å; M284-L441 HydrophobicContact CE-CB 4.2Å; M284-L441 HydrophobicContact CE-CD2 3.81Å; M284-L441 HydrophobicContact CE-CG 4.02Å; M284-L441 HydrophobicContact SD-CB 4.41Å; M284-L441 HydrophobicContact SD-CD2 3.61Å; M284-L441 HydrophobicContact SD-CG 3.66Å; M284-K442 HydrophobicContact CB-CG 4.44Å; M284-K442 HydrophobicContact CE-CG 3.92Å; M284-K442 VanDerWaalsContact O-CE 3.28Å; M284-K442 WeakPolarHBondContact O-CE 3.49Å; M284-K442 PolarHBondContact O-NZ 3.49Å; M284-K442 HydrophobicContact SD-CG 4.48Å; M284-L445 HydrophobicContact SD-CD1 3.58Å; M284-L445 VanDerWaalsContact SD-CD1 3.58Å
285	D	84	Confident	86.3	Confident	18 Å²	18	58.9 Å²	58.9	10%	0.096	29%	0.291	C	S	.	.	H	α-helix	trans	-106.4	-26.4	-174.4	-152.8	61	0	0	0	114.4	W281 P287 K522	W281-D285 HydrophobicContact CD2-CB 4.47Å; W281-D285 HydrophobicContact CH2-CB 4.13Å; W281-D285 HydrophobicContact CZ2-CB 3.98Å; W281-D285 HydrophobicContact CZ3-CB 4.44Å; W281-D285 PolarHBondContact O-N 3.09Å; D285-P287 WeakPolarHBondContact O-CD 3.42Å; D285-K522 IonicContact OD1-NZ 2.71Å; D285-K522 PolarHBondContact OD1-NZ 3.28Å; D285-K522 IonicContact OD2-NZ 3.73Å; D285-K522 PolarHBondContact OD2-NZ 2.92Å
286	H	80.7	Confident	86.5	Confident	19 Å²	19	59.4 Å²	59.4	9%	0.088	29%	0.29	C	S	.	.			trans	-110.6	93.9	179.2	-62.5	-80.4	0	0	0	111.2	I260 L282 S288 S289	I260-H286 HydrophobicContact CG1-CB 4.3Å; L282-H286 HydrophobicContact CD1-CB 4.09Å; H286-S288 PolarHBondContact O-N 3.04Å; H286-S288 VanDerWaalsContact O-N 3.11Å; H286-S289 VanDerWaalsContact O-CB 3.3Å; H286-S289 WeakPolarHBondContact O-CB 3.48Å; H286-S289 PolarHBondContact O-N 3.02Å; H286-S289 PolarHBondContact O-OG 3.28Å
287	P	82.1	Confident	86.6	Confident	16 Å²	16	54.7 Å²	54.7	10%	0.104	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-60.1	-28.4	-175.2	24.2	-35.5	0	0	0	113.3	D285 S289 A293 K294 A297 I523	D285-P287 WeakPolarHBondContact O-CD 3.42Å; P287-S289 VanDerWaalsContact C-N 3.26Å; P287-S289 PolarHBondContact O-N 3.48Å; P287-A293 CarbonylContact O-C 3.54Å; P287-K294 WeakPolarHBondContact O-CG 3.4Å; P287-K294 PolarHBondContact O-N 3.25Å; P287-A297 HydrophobicContact CB-CB 3.7Å; P287-I523 HydrophobicContact CB-CG1 4.17Å; P287-I523 HydrophobicContact CG-CB 4.4Å; P287-I523 HydrophobicContact CG-CG1 3.84Å
288	S	74.8	Confident	86.5	Confident	77 Å²	77	54.8 Å²	54.8	54%	0.538	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-75.8	-3.7	178.4	-64.3	0	0	0	0	114.9	H286 S290	H286-S288 PolarHBondContact O-N 3.04Å; H286-S288 VanDerWaalsContact O-N 3.11Å; S288-S290 PolarHBondContact O-N 2.92Å
289	S	81.3	Confident	86.7	Confident	34 Å²	34	55.7 Å²	55.7	24%	0.238	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-72.1	-28.4	-172	67.5	0	0	0	0	114.9	L282 H286 P287 A293	L282-S289 WeakPolarHBondContact O-CB 3.41Å; L282-S289 PolarHBondContact O-OG 2.85Å; H286-S289 VanDerWaalsContact O-CB 3.3Å; H286-S289 WeakPolarHBondContact O-CB 3.48Å; H286-S289 PolarHBondContact O-N 3.02Å; H286-S289 PolarHBondContact O-OG 3.28Å; P287-S289 VanDerWaalsContact C-N 3.26Å; P287-S289 PolarHBondContact O-N 3.48Å; S289-A293 VanDerWaalsContact OG-CB 3.31Å; S289-A293 WeakPolarHBondContact OG-CB 3.34Å
290	S	85.8	Confident	86.9	Confident	49 Å²	49	49.5 Å²	49.5	34%	0.343	28%	0.275	S	S	.	.			trans	-162.2	163.6	-177.6	61.1	0	0	0	0	110.9	S288 A292 A293 K294	S288-S290 PolarHBondContact O-N 2.92Å; S290-A292 VanDerWaalsContact C-N 3.28Å; S290-A292 PolarHBondContact O-N 3.32Å; S290-A293 PolarHBondContact O-N 3.43Å; S290-A293 VanDerWaalsContact OG-CB 3.29Å; S290-A293 WeakPolarHBondContact OG-CB 3.38Å; S290-A293 PolarHBondContact OG-N 3.06Å; S290-A293 VanDerWaalsContact OG-N 3.08Å; S290-K294 PolarHBondContact O-N 3.32Å; S290-K294 VanDerWaalsContact O-N 3.14Å
291	L	87.5	Confident	86.9	Confident	132 Å²	132	48.9 Å²	48.9	69%	0.691	27%	0.273	S	S	*	.	H	α-helix	trans	-59.5	-40.7	173.8	-176.7	63.1	0	0	0	111.6	A293 K294 I295	L291-A293 PolarHBondContact O-N 3.42Å; L291-K294 WeakPolarHBondContact O-CB 3.17Å; L291-K294 PolarHBondContact O-N 2.95Å; L291-I295 HydrophobicContact CG-CD1 4.16Å; L291-I295 WeakPolarHBondContact O-CG1 3.3Å; L291-I295 PolarHBondContact O-N 3.33Å
292	A	90.5	Very high	87.1	Confident	53 Å²	53	52.6 Å²	52.6	44%	0.438	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-39.8	176.4	0	0	0	0	0	112.3	F283 S290 K294 I295 W296	F283-A292 HydrophobicContact CD2-CB 4.26Å; F283-A292 HydrophobicContact CE2-CB 3.81Å; S290-A292 VanDerWaalsContact C-N 3.28Å; S290-A292 PolarHBondContact O-N 3.32Å; A292-K294 VanDerWaalsContact C-N 3.33Å; A292-K294 PolarHBondContact O-N 2.95Å; A292-I295 PolarHBondContact O-N 2.9Å; A292-W296 WeakPolarHBondContact O-CB 3.33Å; A292-W296 PolarHBondContact O-N 3.42Å
293	A	89.1	Confident	87.4	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-35.1	176	0	0	0	0	0	112.5	F283 P287 S289 S290 L291 A297	F283-A293 HydrophobicContact CD2-CB 3.99Å; F283-A293 WeakPolarHBondContact O-CB 3.33Å; P287-A293 CarbonylContact O-C 3.54Å; S289-A293 VanDerWaalsContact OG-CB 3.31Å; S289-A293 WeakPolarHBondContact OG-CB 3.34Å; S290-A293 PolarHBondContact O-N 3.43Å; S290-A293 VanDerWaalsContact OG-CB 3.29Å; S290-A293 WeakPolarHBondContact OG-CB 3.38Å; S290-A293 PolarHBondContact OG-N 3.06Å; S290-A293 VanDerWaalsContact OG-N 3.08Å; L291-A293 PolarHBondContact O-N 3.42Å; A293-A297 VanDerWaalsContact O-CB 3.31Å; A293-A297 WeakPolarHBondContact O-CB 3.2Å; A293-A297 PolarHBondContact O-N 2.72Å
294	K	87.8	Confident	87.6	Confident	120 Å²	120	52 Å²	52	52%	0.522	30%	0.296	S	S	.	.	H	α-helix	trans	-63.9	-47.5	171.8	-66.9	-177.6	179	-175.5	0	111.8	P287 S290 L291 A292 A297 S298	P287-K294 WeakPolarHBondContact O-CG 3.4Å; P287-K294 PolarHBondContact O-N 3.25Å; S290-K294 PolarHBondContact O-N 3.32Å; S290-K294 VanDerWaalsContact O-N 3.14Å; L291-K294 WeakPolarHBondContact O-CB 3.17Å; L291-K294 PolarHBondContact O-N 2.95Å; A292-K294 VanDerWaalsContact C-N 3.33Å; A292-K294 PolarHBondContact O-N 2.95Å; K294-A297 PolarHBondContact O-N 3.19Å; K294-S298 WeakPolarHBondContact O-CB 3.23Å; K294-S298 PolarHBondContact O-N 3.13Å
295	I	91.6	Very high	87.8	Confident	99 Å²	99	55.8 Å²	55.8	51%	0.508	32%	0.316	S	S	.	.	H	α-helix	trans	-61.1	-48.7	178.5	-65.5	164.8	0	0	0	109.9	L291 A292 A297 S298 V299	L291-I295 HydrophobicContact CG-CD1 4.16Å; L291-I295 WeakPolarHBondContact O-CG1 3.3Å; L291-I295 PolarHBondContact O-N 3.33Å; A292-I295 PolarHBondContact O-N 2.9Å; I295-A297 PolarHBondContact O-N 2.87Å; I295-S298 WeakPolarHBondContact O-CB 3.42Å; I295-S298 PolarHBondContact O-N 3.36Å; I295-S298 VanDerWaalsContact O-N 3.12Å; I295-V299 HydrophobicContact CG2-CG2 4.49Å; I295-V299 WeakPolarHBondContact O-CG2 3.41Å; I295-V299 PolarHBondContact O-N 3.21Å
296	W	90.8	Very high	88.3	Confident	89 Å²	89	56.1 Å²	56.1	34%	0.337	32%	0.321	S	S	.	.	H	α-helix	trans	-57.4	-46.7	177.1	178.2	-111.2	0	0	0	112.7	F283 M284 A292 S298 V299 L300	F283-W296 HydrophobicContact CE1-CB 4.48Å; F283-W296 HydrophobicContact CE1-CD2 4.4Å; F283-W296 HydrophobicContact CE1-CG 4.07Å; F283-W296 HydrophobicContact CE2-CB 4.01Å; F283-W296 HydrophobicContact CE2-CG 4.46Å; F283-W296 HydrophobicContact CZ-CB 3.7Å; F283-W296 HydrophobicContact CZ-CD2 4.24Å; F283-W296 AromaticContact CZ-CG 3.75Å; F283-W296 HydrophobicContact CZ-CG 3.75Å; M284-W296 HydrophobicContact CE-CZ2 4.47Å; A292-W296 WeakPolarHBondContact O-CB 3.33Å; A292-W296 PolarHBondContact O-N 3.42Å; W296-S298 VanDerWaalsContact C-N 3.31Å; W296-S298 PolarHBondContact O-N 2.86Å; W296-V299 PolarHBondContact O-N 3.2Å; W296-L300 HydrophobicContact CD2-CD1 4.44Å; W296-L300 HydrophobicContact CD2-CG 4.45Å; W296-L300 HydrophobicContact CH2-CD2 4.42Å; W296-L300 HydrophobicContact CZ2-CD1 4.03Å; W296-L300 HydrophobicContact CZ2-CD2 4.08Å; W296-L300 HydrophobicContact CZ2-CG 4.17Å; W296-L300 WeakPolarHBondContact O-CG 3.34Å; W296-L300 PolarHBondContact O-N 2.92Å
297	A	88.8	Confident	88.8	Confident	17 Å²	17	55.2 Å²	55.2	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-32.4	176.2	0	0	0	0	0	113.1	P287 A293 K294 I295 L301 I523	P287-A297 HydrophobicContact CB-CB 3.7Å; A293-A297 VanDerWaalsContact O-CB 3.31Å; A293-A297 WeakPolarHBondContact O-CB 3.2Å; A293-A297 PolarHBondContact O-N 2.72Å; K294-A297 PolarHBondContact O-N 3.19Å; I295-A297 PolarHBondContact O-N 2.87Å; A297-L301 WeakPolarHBondContact O-CB 3.38Å; A297-L301 PolarHBondContact O-N 2.8Å; A297-I523 HydrophobicContact CB-CD1 4.22Å
298	S	87.7	Confident	89.3	Confident	70 Å²	70	55.9 Å²	55.9	49%	0.49	32%	0.321	S	S	.	.	H	α-helix	trans	-68.5	-42.4	174.1	-163.7	0	0	0	0	112	K294 I295 W296 L301 V302	K294-S298 WeakPolarHBondContact O-CB 3.23Å; K294-S298 PolarHBondContact O-N 3.13Å; I295-S298 WeakPolarHBondContact O-CB 3.42Å; I295-S298 PolarHBondContact O-N 3.36Å; I295-S298 VanDerWaalsContact O-N 3.12Å; W296-S298 VanDerWaalsContact C-N 3.31Å; W296-S298 PolarHBondContact O-N 2.86Å; S298-L301 PolarHBondContact O-N 2.89Å; S298-V302 WeakPolarHBondContact O-CG2 3.42Å; S298-V302 PolarHBondContact O-N 3.01Å; S298-V302 VanDerWaalsContact O-N 3.09Å
299	V	92	Very high	90.1	Very high	69 Å²	69	56.9 Å²	56.9	42%	0.418	32%	0.318	S	S	.	.	H	α-helix	trans	-63.1	-47	175	172.7	0	0	0	0	110.4	I295 W296 L301 V302 L303	I295-V299 HydrophobicContact CG2-CG2 4.49Å; I295-V299 WeakPolarHBondContact O-CG2 3.41Å; I295-V299 PolarHBondContact O-N 3.21Å; W296-V299 PolarHBondContact O-N 3.2Å; V299-L301 VanDerWaalsContact C-N 3.3Å; V299-L301 PolarHBondContact O-N 3.25Å; V299-V302 PolarHBondContact O-N 3.42Å; V299-L303 HydrophobicContact CG1-CD1 4.13Å; V299-L303 HydrophobicContact CG1-CG 4.5Å; V299-L303 WeakPolarHBondContact O-CG 3.48Å; V299-L303 PolarHBondContact O-N 3.41Å
300	L	91	Very high	90.6	Very high	14 Å²	14	55.6 Å²	55.6	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-59.7	-38.3	176.2	-75.7	-179.3	0	0	0	112.7	W296 L303 M304 E438	W296-L300 HydrophobicContact CD2-CD1 4.44Å; W296-L300 HydrophobicContact CD2-CG 4.45Å; W296-L300 HydrophobicContact CH2-CD2 4.42Å; W296-L300 HydrophobicContact CZ2-CD1 4.03Å; W296-L300 HydrophobicContact CZ2-CD2 4.08Å; W296-L300 HydrophobicContact CZ2-CG 4.17Å; W296-L300 WeakPolarHBondContact O-CG 3.34Å; W296-L300 PolarHBondContact O-N 2.92Å; L300-L303 PolarHBondContact O-N 2.69Å; L300-M304 HydrophobicContact CB-CE 3.94Å; L300-M304 WeakPolarHBondContact O-CG 3.33Å; L300-M304 PolarHBondContact O-N 3.46Å; L300-E438 HydrophobicContact CD1-CG 4.08Å; L300-E438 HydrophobicContact CD2-CG 4.18Å
301	L	89.4	Confident	90.8	Very high	45 Å²	45	55.3 Å²	55.3	24%	0.236	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-45.7	175	174.2	55.2	0	0	0	112.1	A297 S298 V299 L303 M304 I305 I520	A297-L301 WeakPolarHBondContact O-CB 3.38Å; A297-L301 PolarHBondContact O-N 2.8Å; S298-L301 PolarHBondContact O-N 2.89Å; V299-L301 VanDerWaalsContact C-N 3.3Å; V299-L301 PolarHBondContact O-N 3.25Å; L301-L303 VanDerWaalsContact C-N 3.34Å; L301-L303 PolarHBondContact O-N 2.89Å; L301-M304 PolarHBondContact O-N 3.19Å; L301-I305 HydrophobicContact CD1-CD1 4.02Å; L301-I305 HydrophobicContact CD1-CG1 4.27Å; L301-I305 HydrophobicContact CG-CD1 4.2Å; L301-I305 WeakPolarHBondContact O-CG1 3.39Å; L301-I305 PolarHBondContact O-N 2.9Å; L301-I520 HydrophobicContact CD1-CD1 3.54Å; L301-I520 HydrophobicContact CD1-CG1 3.69Å; L301-I520 HydrophobicContact CD2-CD1 4.38Å; L301-I520 HydrophobicContact CD2-CG1 4.42Å
302	V	92.1	Very high	90.9	Very high	94 Å²	94	52 Å²	52	57%	0.57	29%	0.288	S	S	*	.	H	α-helix	trans	-60.8	-43	175.9	173.5	0	0	0	0	111.1	S298 V299 M304 I305 A306	S298-V302 WeakPolarHBondContact O-CG2 3.42Å; S298-V302 PolarHBondContact O-N 3.01Å; S298-V302 VanDerWaalsContact O-N 3.09Å; V299-V302 PolarHBondContact O-N 3.42Å; V302-M304 VanDerWaalsContact C-N 3.33Å; V302-M304 PolarHBondContact O-N 3.12Å; V302-I305 PolarHBondContact O-N 3.37Å; V302-A306 WeakPolarHBondContact O-CB 3.48Å; V302-A306 PolarHBondContact O-N 2.96Å
303	L	93.7	Very high	90.9	Very high	47 Å²	47	52.6 Å²	52.6	25%	0.246	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-34.9	175.6	-66.2	174	0	0	0	112.6	V299 L300 L301 A306 S307 L431 F435	V299-L303 HydrophobicContact CG1-CD1 4.13Å; V299-L303 HydrophobicContact CG1-CG 4.5Å; V299-L303 WeakPolarHBondContact O-CG 3.48Å; V299-L303 PolarHBondContact O-N 3.41Å; L300-L303 PolarHBondContact O-N 2.69Å; L301-L303 VanDerWaalsContact C-N 3.34Å; L301-L303 PolarHBondContact O-N 2.89Å; L303-A306 PolarHBondContact O-N 3.32Å; L303-S307 WeakPolarHBondContact O-CB 3.49Å; L303-S307 PolarHBondContact O-N 3.37Å; L303-L431 HydrophobicContact CB-CD2 4.39Å; L303-L431 HydrophobicContact CD2-CD2 3.85Å; L303-F435 HydrophobicContact CB-CE1 4.4Å; L303-F435 HydrophobicContact CB-CZ 4Å
304	M	91.8	Very high	90.7	Very high	14 Å²	14	53.2 Å²	53.2	7%	0.069	29%	0.287	C	S	.	.	H	α-helix	trans	-67	-44.9	176.2	-73.3	163.5	-159	0	0	111.4	L300 L301 V302 A306 S307 V308 F435 R516 K519	L300-M304 HydrophobicContact CB-CE 3.94Å; L300-M304 WeakPolarHBondContact O-CG 3.33Å; L300-M304 PolarHBondContact O-N 3.46Å; L301-M304 PolarHBondContact O-N 3.19Å; V302-M304 VanDerWaalsContact C-N 3.33Å; V302-M304 PolarHBondContact O-N 3.12Å; M304-A306 VanDerWaalsContact C-N 3.35Å; M304-S307 PolarHBondContact O-N 3.13Å; M304-S307 VanDerWaalsContact O-N 3.14Å; M304-S307 PolarHBondContact O-OG 3.26Å; M304-V308 PolarHBondContact O-N 3.47Å; M304-F435 HydrophobicContact CE-CD1 4.39Å; M304-F435 HydrophobicContact CE-CE1 3.86Å; M304-F435 HydrophobicContact CG-CE1 3.74Å; M304-F435 HydrophobicContact CG-CZ 3.83Å; M304-R516 HydrophobicContact CG-CB 4.23Å; M304-R516 HydrophobicContact SD-CB 4.36Å; M304-K519 HydrophobicContact CE-CD 3.43Å; M304-K519 VanDerWaalsContact CE-CD 3.43Å; M304-K519 HydrophobicContact SD-CB 4.37Å; M304-K519 HydrophobicContact SD-CD 3.64Å
305	I	92.1	Very high	90.5	Very high	95 Å²	95	51 Å²	51	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-59.8	-46.9	173.7	-64.9	165.2	0	0	0	109.8	L301 V302 S307 V308 M309	L301-I305 HydrophobicContact CD1-CD1 4.02Å; L301-I305 HydrophobicContact CD1-CG1 4.27Å; L301-I305 HydrophobicContact CG-CD1 4.2Å; L301-I305 WeakPolarHBondContact O-CG1 3.39Å; L301-I305 PolarHBondContact O-N 2.9Å; V302-I305 PolarHBondContact O-N 3.37Å; I305-S307 VanDerWaalsContact C-N 3.26Å; I305-S307 PolarHBondContact O-N 3.41Å; I305-V308 PolarHBondContact O-N 3.02Å; I305-V308 VanDerWaalsContact O-N 3.11Å; I305-M309 HydrophobicContact CG2-CG 4.27Å; I305-M309 WeakPolarHBondContact O-CG 3.27Å; I305-M309 PolarHBondContact O-N 2.77Å
306	A	93.3	Very high	90.3	Very high	26 Å²	26	50.8 Å²	50.8	22%	0.215	28%	0.281	C	S	.	.	H	α-helix	trans	-58.2	-35.3	175.2	0	0	0	0	0	112.9	V302 L303 M304 M309 C310 F427	V302-A306 WeakPolarHBondContact O-CB 3.48Å; V302-A306 PolarHBondContact O-N 2.96Å; L303-A306 PolarHBondContact O-N 3.32Å; M304-A306 VanDerWaalsContact C-N 3.35Å; A306-M309 PolarHBondContact O-N 2.87Å; A306-C310 WeakPolarHBondContact O-CB 3.17Å; A306-C310 PolarHBondContact O-N 2.85Å; A306-F427 HydrophobicContact CB-CE1 4.42Å; A306-F427 HydrophobicContact CB-CZ 4.22Å
307	S	92.9	Very high	90	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-72.7	-24	177.3	79	0	0	0	0	114.8	L303 M304 I305 R513 R516	L303-S307 WeakPolarHBondContact O-CB 3.49Å; L303-S307 PolarHBondContact O-N 3.37Å; M304-S307 PolarHBondContact O-N 3.13Å; M304-S307 VanDerWaalsContact O-N 3.14Å; M304-S307 PolarHBondContact O-OG 3.26Å; I305-S307 VanDerWaalsContact C-N 3.26Å; I305-S307 PolarHBondContact O-N 3.41Å; S307-R513 PolarHBondContact O-NH1 3.43Å; S307-R516 PolarHBondContact OG-NH1 2.95Å
308	V	92.1	Very high	89.9	Confident	30 Å²	30	56 Å²	56	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-82.4	-44.5	171.7	177.1	0	0	0	0	109.8	M304 I305 C310 Y311 C312 R513	M304-V308 PolarHBondContact O-N 3.47Å; I305-V308 PolarHBondContact O-N 3.02Å; I305-V308 VanDerWaalsContact O-N 3.11Å; V308-C310 VanDerWaalsContact C-N 3.34Å; V308-C310 PolarHBondContact O-N 3.12Å; V308-Y311 WeakPolarHBondContact O-CB 3.25Å; V308-Y311 PolarHBondContact O-N 3.41Å; V308-C312 PolarHBondContact O-N 3.03Å; V308-C312 PolarHBondContact O-SG 2.88Å; V308-C312 VanDerWaalsContact O-SG 3.33Å; V308-R513 HydrophobicContact CG2-CB 4.3Å
309	M	91.8	Very high	89.8	Confident	98 Å²	98	56.4 Å²	56.4	48%	0.483	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-42.6	174.1	-65.7	-63.2	97.3	0	0	111.7	I305 A306 Y311 C312 L313	I305-M309 HydrophobicContact CG2-CG 4.27Å; I305-M309 WeakPolarHBondContact O-CG 3.27Å; I305-M309 PolarHBondContact O-N 2.77Å; A306-M309 PolarHBondContact O-N 2.87Å; M309-Y311 VanDerWaalsContact C-N 3.29Å; M309-Y311 PolarHBondContact O-N 3.45Å; M309-C312 PolarHBondContact O-N 2.98Å; M309-L313 WeakPolarHBondContact O-CB 3.44Å; M309-L313 VanDerWaalsContact O-CG 3.24Å; M309-L313 WeakPolarHBondContact O-CG 3.46Å; M309-L313 PolarHBondContact O-N 3.38Å
310	C	91.5	Very high	89.3	Confident	6 Å²	6	54.2 Å²	54.2	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-56.2	-42.5	174.9	-173.5	0	0	0	0	112.3	A306 V308 S314 L424 F427	A306-C310 WeakPolarHBondContact O-CB 3.17Å; A306-C310 PolarHBondContact O-N 2.85Å; V308-C310 VanDerWaalsContact C-N 3.34Å; V308-C310 PolarHBondContact O-N 3.12Å; C310-S314 PolarHBondContact O-N 2.92Å; C310-S314 VanDerWaalsContact O-N 3.14Å; C310-L424 HydrophobicContact CB-CD1 4.4Å; C310-L424 VanDerWaalsContact SG-CD1 3.51Å; C310-F427 HydrophobicContact CB-CD1 4.19Å; C310-F427 HydrophobicContact CB-CE1 4.32Å
311	Y	88.6	Confident	88.7	Confident	44 Å²	44	57.3 Å²	57.3	17%	0.173	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-48.6	175.3	178.1	-98.6	0	0	0	111.3	V308 M309 L313 S314 Q510 A511	V308-Y311 WeakPolarHBondContact O-CB 3.25Å; V308-Y311 PolarHBondContact O-N 3.41Å; M309-Y311 VanDerWaalsContact C-N 3.29Å; M309-Y311 PolarHBondContact O-N 3.45Å; Y311-L313 PolarHBondContact O-N 3.31Å; Y311-S314 PolarHBondContact O-N 2.87Å; Y311-S314 VanDerWaalsContact O-N 3.13Å; Y311-S314 PolarHBondContact O-OG 2.7Å; Y311-Q510 HydrophobicContact CD2-CB 4.16Å; Y311-Q510 HydrophobicContact CE2-CB 3.75Å; Y311-A511 HydrophobicContact CE1-CB 4.19Å
312	C	90	Very high	87.9	Confident	61 Å²	61	63.8 Å²	63.8	41%	0.412	34%	0.34	S	S	.	.	H	α-helix	trans	-60.7	-40.3	176.6	-60.9	0	0	0	0	113	V308 M309 S314 T315	V308-C312 PolarHBondContact O-N 3.03Å; V308-C312 PolarHBondContact O-SG 2.88Å; V308-C312 VanDerWaalsContact O-SG 3.33Å; M309-C312 PolarHBondContact O-N 2.98Å; C312-S314 VanDerWaalsContact C-N 3.27Å; C312-S314 PolarHBondContact O-N 2.78Å; C312-T315 PolarHBondContact O-N 2.72Å; C312-T315 PolarHBondContact O-OG1 3.29Å
313	L	90.8	Very high	86.5	Confident	67 Å²	67	59.9 Å²	59.9	35%	0.351	32%	0.317	S	S	.	.	H	α-helix	trans	-65.5	-31.5	177.3	-67.2	172.8	0	0	0	111.5	M309 Y311 T315 H316 F319 L424	M309-L313 WeakPolarHBondContact O-CB 3.44Å; M309-L313 VanDerWaalsContact O-CG 3.24Å; M309-L313 WeakPolarHBondContact O-CG 3.46Å; M309-L313 PolarHBondContact O-N 3.38Å; Y311-L313 PolarHBondContact O-N 3.31Å; L313-T315 PolarHBondContact O-N 2.97Å; L313-H316 PolarHBondContact O-N 3.4Å; L313-H316 VanDerWaalsContact O-N 3.11Å; L313-F319 HydrophobicContact CB-CD2 4.24Å; L313-F319 HydrophobicContact CB-CG 4.44Å; L313-F319 HydrophobicContact CD2-CD2 4.02Å; L313-F319 HydrophobicContact CD2-CE2 3.66Å; L313-F319 HydrophobicContact CD2-CZ 4.26Å; L313-F319 WeakPolarHBondContact O-CB 3.44Å; L313-L424 HydrophobicContact CB-CD1 4.35Å; L313-L424 HydrophobicContact CB-CD2 4.05Å
314	S	85.5	Confident	84.6	Confident	12 Å²	12	62.8 Å²	62.8	8%	0.084	34%	0.337	C	S	.	.	H	α-helix	trans	-67.9	-14.5	178.6	75.9	0	0	0	0	114.7	C310 Y311 C312 R320	C310-S314 PolarHBondContact O-N 2.92Å; C310-S314 VanDerWaalsContact O-N 3.14Å; Y311-S314 PolarHBondContact O-N 2.87Å; Y311-S314 VanDerWaalsContact O-N 3.13Å; Y311-S314 PolarHBondContact O-OG 2.7Å; C312-S314 VanDerWaalsContact C-N 3.27Å; C312-S314 PolarHBondContact O-N 2.78Å; S314-R320 WeakPolarHBondContact O-CD 3.36Å; S314-R320 PolarHBondContact O-NH1 3.32Å
315	T	84.1	Confident	82.5	Confident	74 Å²	74	65.7 Å²	65.7	45%	0.454	35%	0.352	S	S	.	.	H	α-helix	trans	-94.6	-16.6	172.9	67.4	0	0	0	0	113.1	C312 L313 K414	C312-T315 PolarHBondContact O-N 2.72Å; C312-T315 PolarHBondContact O-OG1 3.29Å; L313-T315 PolarHBondContact O-N 2.97Å; T315-K414 PolarHBondContact O-NZ 3.04Å
316	H	86.5	Confident	79.8	Confident	95 Å²	95	66.6 Å²	66.6	44%	0.44	36%	0.355	S	S	.	.	S	Bend	trans	-82.3	131.6	-175	-171.6	-90.5	0	0	0	112.2	L313 V318 F319	L313-H316 PolarHBondContact O-N 3.4Å; L313-H316 VanDerWaalsContact O-N 3.11Å; H316-V318 VanDerWaalsContact C-N 3.32Å; H316-V318 PolarHBondContact O-N 3.15Å; H316-V318 VanDerWaalsContact O-N 3.16Å; H316-F319 HydrophobicContact CB-CD2 4.45Å; H316-F319 PolarHBondContact O-N 2.86Å
317	D	84.1	Confident	77	Confident	96 Å²	96	72.8 Å²	72.8	51%	0.513	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-52.4	-43.1	-169.5	-62.6	-90.6	0	0	0	114	F319 R320 K414	D317-F319 PolarHBondContact O-N 2.82Å; D317-F319 VanDerWaalsContact O-N 3.1Å; D317-R320 PolarHBondContact O-N 2.89Å; D317-K414 VanDerWaalsContact OD1-CD 3.29Å; D317-K414 WeakPolarHBondContact OD1-CD 3.41Å; D317-K414 WeakPolarHBondContact OD1-CE 3.48Å; D317-K414 IonicContact OD1-NZ 2.6Å; D317-K414 PolarHBondContact OD1-NZ 3.43Å; D317-K414 IonicContact OD2-NZ 3.62Å; D317-K414 PolarHBondContact OD2-NZ 3.49Å
318	V	86.6	Confident	73.9	Confident	120 Å²	120	77.2 Å²	77.2	73%	0.727	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-58.3	-25.5	-180	175.7	0	0	0	0	113.5	H316	H316-V318 VanDerWaalsContact C-N 3.32Å; H316-V318 PolarHBondContact O-N 3.15Å; H316-V318 VanDerWaalsContact O-N 3.16Å
319	F	85.7	Confident	70.9	Confident	78 Å²	78	84.6 Å²	84.6	34%	0.342	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-100.6	6.5	-179.7	-67.1	-83.3	0	0	0	113.5	L313 H316 D317 S421 L424	L313-F319 HydrophobicContact CB-CD2 4.24Å; L313-F319 HydrophobicContact CB-CG 4.44Å; L313-F319 HydrophobicContact CD2-CD2 4.02Å; L313-F319 HydrophobicContact CD2-CE2 3.66Å; L313-F319 HydrophobicContact CD2-CZ 4.26Å; L313-F319 WeakPolarHBondContact O-CB 3.44Å; H316-F319 HydrophobicContact CB-CD2 4.45Å; H316-F319 PolarHBondContact O-N 2.86Å; D317-F319 PolarHBondContact O-N 2.82Å; D317-F319 VanDerWaalsContact O-N 3.1Å; F319-S421 PolarHBondContact O-N 3.42Å; F319-S421 PolarHBondContact O-OG 3.2Å; F319-L424 HydrophobicContact CB-CD2 4.3Å
320	R	81.7	Confident	68	Low	22 Å²	22	87 Å²	87	8%	0.083	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116	179.4	-60.6	-171.9	71.7	130.1	-9.2	111.1	S314 D317 D415 T418 E419	S314-R320 WeakPolarHBondContact O-CD 3.36Å; S314-R320 PolarHBondContact O-NH1 3.32Å; D317-R320 PolarHBondContact O-N 2.89Å; R320-D415 IonicContact CZ-OD1 2.85Å; R320-D415 IonicContact NH1-OD1 2.7Å; R320-D415 PolarHBondContact NH1-OD1 3.31Å; R320-D415 IonicContact NH2-OD1 3.69Å; R320-D415 PolarHBondContact NH2-OD1 3.14Å; R320-T418 PolarHBondContact NE-OG1 2.95Å; R320-T418 PolarHBondContact NH2-O 2.86Å; R320-E419 CarbonylContact C-O 3.59Å; R320-E419 WeakPolarHBondContact CA-O 3.44Å
321	T	79.5	Confident	65	Low	80 Å²	80	90 Å²	90	49%	0.491	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	148.3	176.1	41.2	0	0	0	0	110.5	S323 T418 E419	T321-S323 PolarHBondContact O-N 2.88Å; T321-T418 CarbonylContact O-C 3.47Å; T321-T418 WeakPolarHBondContact O-CA 3.44Å; T321-T418 WeakPolarHBondContact O-CB 3.32Å; T321-E419 PolarHBondContact N-O 3.45Å; T321-E419 PolarHBondContact O-N 3.2Å; T321-E419 PolarHBondContact OG1-O 3.03Å
322	K	71.6	Confident	62.1	Low	181 Å²	181	93.8 Å²	93.8	79%	0.787	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.6	135.4	173.5	-68	-177.9	179	-178.7	0	110.3	T324 S417	K322-T324 PolarHBondContact O-N 3.49Å; K322-S417 WeakPolarHBondContact CA-O 3.47Å
323	S	63.1	Low	59.2	Low	12 Å²	12	98.3 Å²	98.3	8%	0.084	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-62.5	134.6	177.6	177.7	0	0	0	0	110.8	T321 I325 M326 S417 E419	T321-S323 PolarHBondContact O-N 2.88Å; S323-I325 PolarHBondContact O-N 2.82Å; S323-I325 VanDerWaalsContact O-N 3.13Å; S323-I325 WeakPolarHBondContact OG-CB 3.42Å; S323-I325 WeakPolarHBondContact OG-CG1 3.32Å; S323-I325 PolarHBondContact OG-N 3.21Å; S323-M326 PolarHBondContact O-N 2.9Å; S323-S417 PolarHBondContact N-O 2.92Å; S323-E419 VanDerWaalsContact CB-OE1 3.25Å; S323-E419 WeakPolarHBondContact CB-OE1 3.23Å; S323-E419 PolarHBondContact OG-OE1 3.28Å
324	T	54.3	Low	56.1	Low	107 Å²	107	100.7 Å²	100.7	66%	0.656	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-1.7	174.9	48.1	0	0	0	0	113.5	K322 M326	K322-T324 PolarHBondContact O-N 3.49Å; T324-M326 VanDerWaalsContact C-N 3.31Å
325	I	47.7	Very low	53.5	Low	75 Å²	75	106.1 Å²	106.1	39%	0.385	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	-17.4	175.7	-55.3	171.6	0	0	0	111.8	S323 L327 Y479	S323-I325 PolarHBondContact O-N 2.82Å; S323-I325 VanDerWaalsContact O-N 3.13Å; S323-I325 WeakPolarHBondContact OG-CB 3.42Å; S323-I325 WeakPolarHBondContact OG-CG1 3.32Å; S323-I325 PolarHBondContact OG-N 3.21Å; I325-L327 VanDerWaalsContact C-N 3.29Å; I325-L327 PolarHBondContact O-N 3.33Å; I325-Y479 WeakPolarHBondContact CD1-OH 3.14Å
326	M	35.3	Very low	50.9	Low	114 Å²	114	110.3 Å²	110.3	56%	0.562	59%	0.592	S	S	*	*			trans	-72.2	84.9	169.9	-76.6	-162.2	149.4	0	0	111.1	S323 T324	S323-M326 PolarHBondContact O-N 2.9Å; T324-M326 VanDerWaalsContact C-N 3.31Å
327	L	32.8	Very low	48.2	Very low	157 Å²	157	111.8 Å²	111.8	82%	0.822	61%	0.61	S	S	*	*			trans	-47.8	130.7	161.7	-77.8	167.9	0	0	0	109.2	I325 Y329	I325-L327 VanDerWaalsContact C-N 3.29Å; I325-L327 PolarHBondContact O-N 3.33Å; L327-Y329 PolarHBondContact O-N 3.15Å
328	P	28.6	Very low	45.5	Very low	93 Å²	93	114.7 Å²	114.7	60%	0.604	63%	0.626	S	S	*	*			trans	-63.3	139.5	178.2	26.8	-33.9	0	0	0	110	N330	P328-N330 PolarHBondContact O-N 3.41Å
329	Y	29.9	Very low	42.8	Very low	185 Å²	185	114 Å²	114	73%	0.725	63%	0.626	S	S	*	*			trans	-68.4	83.6	169.9	176.6	-101.4	0	0	0	109.3	L327 G331 L332	L327-Y329 PolarHBondContact O-N 3.15Å; Y329-G331 PolarHBondContact O-N 2.99Å; Y329-L332 WeakPolarHBondContact CE1-O 3.39Å; Y329-L332 WeakPolarHBondContact OH-CB 3.28Å; Y329-L332 PolarHBondContact OH-O 2.77Å
330	N	30.6	Very low	40.2	Very low	149 Å²	149	116.4 Å²	116.4	80%	0.797	64%	0.643	S	S	*	*			trans	-76.4	88.4	177.7	-90.9	0.2	0	0	0	110.5	P328	P328-N330 PolarHBondContact O-N 3.41Å
331	G	27	Very low	37.9	Very low	69 Å²	69	121.9 Å²	121.9	71%	0.711	67%	0.674	S	S	*	*			trans	75.3	80.5	148.8	0	0	0	0	0	116.9	Y329	Y329-G331 PolarHBondContact O-N 2.99Å
332	L	28.5	Very low	35.5	Very low	122 Å²	122	125 Å²	125	64%	0.639	69%	0.688	S	S	*	*			trans	-133.2	143.4	134.5	-106.8	166.7	0	0	0	108.9	Y329	Y329-L332 WeakPolarHBondContact CE1-O 3.39Å; Y329-L332 WeakPolarHBondContact OH-CB 3.28Å; Y329-L332 PolarHBondContact OH-O 2.77Å
333	Q	30.1	Very low	33.7	Very low	157 Å²	157	123.8 Å²	123.8	73%	0.734	69%	0.689	S	S	*	*			trans	-52.9	143.7	-150.5	-74.7	141.8	-70.3	0	0	116.5	V335	Q333-V335 VanDerWaalsContact C-N 3.35Å; Q333-V335 HydrophobicContact CB-CG2 4.25Å; Q333-V335 PolarHBondContact O-N 3.15Å
334	S	25.6	Very low	32.3	Very low	117 Å²	117	130.5 Å²	130.5	82%	0.818	72%	0.724	S	S	*	*			trans	-56.4	98.1	147.7	49.7	0	0	0	0	109.2
335	V	30	Very low	31.4	Very low	125 Å²	125	132.7 Å²	132.7	76%	0.758	73%	0.73	S	S	*	*			trans	-93.6	102.1	166.4	179.9	0	0	0	0	106.7	Q333	Q333-V335 VanDerWaalsContact C-N 3.35Å; Q333-V335 HydrophobicContact CB-CG2 4.25Å; Q333-V335 PolarHBondContact O-N 3.15Å
336	E	28.8	Very low	30.7	Very low	163 Å²	163	138.6 Å²	138.6	76%	0.762	75%	0.749	S	S	*	*			trans	-61.7	146.8	170	-66.9	176.9	119.1	0	0	109.7	N338	E336-N338 VanDerWaalsContact C-N 3.29Å; E336-N338 PolarHBondContact O-N 2.87Å
337	P	30.6	Very low	30.7	Very low	126 Å²	126	139 Å²	139	82%	0.818	75%	0.754	S	S	*	*			trans	-72.3	84.1	-177.3	30.4	-35.2	0	0	0	110.3	S339	P337-S339 PolarHBondContact O-N 3.4Å
338	N	28.1	Very low	30.7	Very low	157 Å²	157	137.6 Å²	137.6	84%	0.84	75%	0.747	S	S	*	*			trans	-74.9	72.7	-177.6	-162.7	9.7	0	0	0	111.4	E336	E336-N338 VanDerWaalsContact C-N 3.29Å; E336-N338 PolarHBondContact O-N 2.87Å
339	S	29.9	Very low	31.1	Very low	105 Å²	105	138.9 Å²	138.9	73%	0.734	75%	0.749	S	S	*	*			trans	-116.1	66.1	177.8	175.9	0	0	0	0	109.7	P337	P337-S339 PolarHBondContact O-N 3.4Å
340	N	31.3	Very low	31.4	Very low	128 Å²	128	136 Å²	136	68%	0.684	75%	0.746	S	S	*	*			trans	-141.7	117.6	164.2	-108.9	-32.2	0	0	0	112
341	N	33.3	Very low	31.6	Very low	138 Å²	138	134.6 Å²	134.6	74%	0.738	74%	0.738	S	S	*	*			trans	55.1	122.9	143.8	-56.8	-28.3	0	0	0	120.5
342	N	29.2	Very low	32	Very low	146 Å²	146	139.6 Å²	139.6	78%	0.781	74%	0.743	S	S	*	*			trans	-46.2	163.2	147.2	-60.4	-47.6	0	0	0	112.2
343	N	34	Very low	32.4	Very low	154 Å²	154	142.2 Å²	142.2	82%	0.824	75%	0.752	S	S	*	*			trans	92.4	108.5	169.6	-49.7	-31	0	0	0	115.2
344	N	32.6	Very low	32.3	Very low	153 Å²	153	141.4 Å²	141.4	82%	0.818	75%	0.753	S	S	*	*			trans	-45.1	141.7	159.9	-40	-63.3	0	0	0	111.7
345	I	35.6	Very low	32.7	Very low	153 Å²	153	143.1 Å²	143.1	79%	0.785	75%	0.753	S	S	*	*				168.6	122.1	125.7	-86.7	154.9	0	0	0	110.9
346	Y	34	Very low	32.7	Very low	199 Å²	199	145.3 Å²	145.3	78%	0.78	76%	0.759	S	S	*	*			trans	39.4	111.1	153.2	-78.7	-102.3	0	0	0	122.5
347	N	34.3	Very low	32.6	Very low	122 Å²	122	145.6 Å²	145.6	65%	0.652	76%	0.763	S	S	*	*				53.9	128.6	118.4	-84.2	7.9	0	0	0	122.2
348	N	33.2	Very low	32.6	Very low	128 Å²	128	146.5 Å²	146.5	68%	0.684	76%	0.761	S	S	*	*				60.2	131	128.7	-63.3	6.1	0	0	0	118.5
349	N	37.4	Very low	32.7	Very low	120 Å²	120	148.6 Å²	148.6	64%	0.642	76%	0.762	S	S	*	*			cis	-175.1	154.4	38.5	-115.6	-5.8	0	0	0	110.1
350	N	36.4	Very low	32.8	Very low	124 Å²	124	150.6 Å²	150.6	66%	0.663	76%	0.76	S	S	*	*			trans	62.7	163.5	149.8	-56.7	-6.8	0	0	0	117.6
351	N	33.1	Very low	32.6	Very low	120 Å²	120	154.6 Å²	154.6	64%	0.642	77%	0.772	S	S	*	*			cis	-160.9	-180	-28.4	-100	-10.7	0	0	0	106.7
352	E	36.8	Very low	32.5	Very low	175 Å²	175	156.9 Å²	156.9	82%	0.818	78%	0.778	S	S	*	*			trans	69	143.2	165.4	-69	146.9	-141.4	0	0	116.1
353	E	36	Very low	32.6	Very low	176 Å²	176	154.5 Å²	154.5	82%	0.822	77%	0.769	S	S	*	*			cis	-147.5	168.1	-13.7	-135.2	-173.9	167.8	0	0	111.4
354	N	28.9	Very low	32.4	Very low	140 Å²	140	152.9 Å²	152.9	75%	0.749	76%	0.76	S	S	*	*			trans	-81.7	152.2	177	-64.7	-86	0	0	0	111.3
355	N	32.9	Very low	32.4	Very low	153 Å²	153	154.1 Å²	154.1	82%	0.818	76%	0.761	S	S	*	*			trans	137.3	74.1	145.2	-70.5	-46.8	0	0	0	115.5
356	L	30.8	Very low	32.3	Very low	171 Å²	171	156 Å²	156	90%	0.895	76%	0.763	S	S	*	*			trans	-149.7	46.1	151.5	-148.9	78	0	0	0	114.1
357	M	27.5	Very low	32.2	Very low	170 Å²	170	150 Å²	150	84%	0.837	76%	0.755	S	S	*	*			trans	-71.3	147.1	169.6	-166.7	179.7	-95.2	0	0	110.4
358	N	28.7	Very low	32.2	Very low	144 Å²	144	148.7 Å²	148.7	77%	0.77	76%	0.756	S	S	*	*	S	Bend	trans	76.1	67.8	173.4	-52.1	-43.5	0	0	0	118.4
359	K	31.3	Very low	32.1	Very low	201 Å²	201	151.2 Å²	151.2	87%	0.874	76%	0.757	S	S	*	*	S	Bend	trans	-161	-21.4	141.9	-119.4	167.8	-175	177.9	0	119
360	Q	30.9	Very low	32.1	Very low	148 Å²	148	153.5 Å²	153.5	69%	0.692	76%	0.763	S	S	*	*			trans	-97.4	3.4	-161.1	-134.2	80.7	-6	0	0	117.8	H362	Q360-H362 PolarHBondContact O-N 3.22Å
361	F	28.7	Very low	32.1	Very low	211 Å²	211	152.4 Å²	152.4	93%	0.925	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	36.1	-164.4	-149.7	-96	0	0	0	115.9
362	H	30.4	Very low	32.1	Very low	187 Å²	187	154.3 Å²	154.3	87%	0.866	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.7	2.6	-170.4	-118.5	-66.2	0	0	0	117.8	Q360	Q360-H362 PolarHBondContact O-N 3.22Å
363	T	30.7	Very low	32.1	Very low	96 Å²	96	150.8 Å²	150.8	59%	0.589	75%	0.751	S	S	*	*	S	Bend	trans	-112.5	-32.7	-173.4	44.6	0	0	0	0	115.9
364	D	30.4	Very low	32.1	Very low	120 Å²	120	146.3 Å²	146.3	64%	0.642	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-95	-7.6	-153.5	-55.8	-17.9	0	0	0	115.5	K366 A367	D364-K366 PolarHBondContact O-N 2.86Å; D364-K366 VanDerWaalsContact O-N 3.12Å; D364-A367 PolarHBondContact O-N 2.72Å
365	Q	33.5	Very low	32.5	Very low	179 Å²	179	144.6 Å²	144.6	84%	0.836	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-73.5	-3.8	-175.7	-148.6	173.6	36.2	0	0	114.5
366	K	32.3	Very low	32.7	Very low	192 Å²	192	141.2 Å²	141.2	84%	0.835	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-83.9	-20.6	176.8	-91.6	-172.7	172.1	-176.1	0	114.9	D364	D364-K366 PolarHBondContact O-N 2.86Å; D364-K366 VanDerWaalsContact O-N 3.12Å
367	A	32.9	Very low	32.9	Very low	74 Å²	74	137.7 Å²	137.7	61%	0.612	70%	0.704	S	S	*	*	S	Bend	trans	-84.2	-30.1	-171.3	0	0	0	0	0	114.2	D364	D364-A367 PolarHBondContact O-N 2.72Å
368	S	33.1	Very low	33.4	Very low	94 Å²	94	136.6 Å²	136.6	66%	0.657	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-8.5	-166.9	-48.3	0	0	0	0	115.8
369	Y	32.1	Very low	33.8	Very low	181 Å²	181	134.8 Å²	134.8	71%	0.71	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-25.4	-173.8	-107.4	-86	0	0	0	114.9
370	Q	36.1	Very low	33.9	Very low	167 Å²	167	132.3 Å²	132.3	78%	0.78	69%	0.691	S	S	*	*	H	α-helix	trans	-82.1	-28.3	-178.5	-72.5	-175.2	-43.4	0	0	112.8	F372	Q370-F372 VanDerWaalsContact C-N 3.31Å; Q370-F372 PolarHBondContact O-N 3.07Å
371	T	36.8	Very low	34	Very low	101 Å²	101	132.6 Å²	132.6	62%	0.62	70%	0.698	S	S	*	*	H	α-helix	trans	-77.3	-12.4	-178.5	-31.2	0	0	0	0	113.9	S374 T375	T371-S374 PolarHBondContact O-OG 3.36Å; T371-T375 PolarHBondContact O-OG1 3.29Å
372	F	33.6	Very low	34.3	Very low	160 Å²	160	128.1 Å²	128.1	70%	0.702	69%	0.688	S	S	*	*	H	α-helix	trans	-89.1	-27.8	-179.3	-161.6	-100.6	0	0	0	113	Q370 T376	Q370-F372 VanDerWaalsContact C-N 3.31Å; Q370-F372 PolarHBondContact O-N 3.07Å; F372-T376 PolarHBondContact O-OG1 2.85Å
373	L	36.5	Very low	34.3	Very low	102 Å²	102	127.9 Å²	127.9	53%	0.534	69%	0.689	S	S	.	*	H	α-helix	trans	-80.2	-17.5	-176.4	-86.4	158.4	0	0	0	114.1
374	S	36.2	Very low	34.4	Very low	81 Å²	81	129.4 Å²	129.4	57%	0.566	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-8.9	178.7	52.1	0	0	0	0	114.1	T371	T371-S374 PolarHBondContact O-OG 3.36Å
375	T	36.8	Very low	34.5	Very low	104 Å²	104	129.9 Å²	129.9	64%	0.638	71%	0.706	S	S	*	*	S	Bend	trans	-106.5	-14.1	-174.2	-22.8	0	0	0	0	114	T371	T371-T375 PolarHBondContact O-OG1 3.29Å
376	T	36.9	Very low	34.5	Very low	82 Å²	82	131 Å²	131	50%	0.503	71%	0.708	S	S	.	*	S	Bend	trans	-89.4	-10.3	-175.2	-16.5	0	0	0	0	114.4	F372	F372-T376 PolarHBondContact O-OG1 2.85Å
377	T	36.5	Very low	34.3	Very low	97 Å²	97	130.1 Å²	130.1	60%	0.595	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-15.3	-171.1	44.1	0	0	0	0	114.9
378	N	36.3	Very low	34.3	Very low	148 Å²	148	132.6 Å²	132.6	79%	0.791	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	8.4	-172.4	-78.6	-25.1	0	0	0	115.4
379	T	37.8	Very low	34	Very low	105 Å²	105	136.4 Å²	136.4	64%	0.644	73%	0.728	S	S	*	*	S	Bend	trans	-118.8	2.2	-177.2	49.1	0	0	0	0	114.9
380	L	32.8	Very low	33.8	Very low	149 Å²	149	136.1 Å²	136.1	78%	0.78	73%	0.73	S	S	*	*	S	Bend	trans	-95.2	4.6	-170.1	-141.9	77.4	0	0	0	115.8
381	N	34.2	Very low	33.3	Very low	155 Å²	155	134.7 Å²	134.7	83%	0.829	73%	0.728	S	S	*	*	S	Bend	trans	-98.6	5.8	-171.5	-76.8	-17.1	0	0	0	115.5
382	T	34.1	Very low	33.2	Very low	116 Å²	116	134.6 Å²	134.6	71%	0.712	73%	0.727	S	S	*	*	S	Bend	trans	-135.2	37.4	-166.9	46.6	0	0	0	0	115.7
383	M	30.7	Very low	33.1	Very low	183 Å²	183	132 Å²	132	90%	0.901	73%	0.725	S	S	*	*			trans	-155	73.9	162.3	-125.5	166.8	-70.6	0	0	114.9
384	T	33.5	Very low	32.9	Very low	128 Å²	128	135.1 Å²	135.1	79%	0.785	73%	0.734	S	S	*	*			trans	-74.6	155.4	158.4	46.8	0	0	0	0	110.6
385	T	32.7	Very low	32.6	Very low	129 Å²	129	136.6 Å²	136.6	79%	0.791	74%	0.736	S	S	*	*			trans	69.4	80	174.4	68.7	0	0	0	0	118.2
386	K	33	Very low	32.6	Very low	202 Å²	202	136.8 Å²	136.8	88%	0.878	73%	0.733	S	S	*	*			trans	-166.5	123.7	130.6	-106.1	153.4	-171.1	172.8	0	111.6	T388	K386-T388 PolarHBondContact O-N 3.5Å
387	N	27.6	Very low	32.5	Very low	175 Å²	175	137.1 Å²	137.1	94%	0.936	74%	0.737	S	S	*	*			trans	-82.7	110.3	176.5	-77.1	-13.9	0	0	0	110.8
388	T	33.2	Very low	33.1	Very low	125 Å²	125	135.8 Å²	135.8	77%	0.767	73%	0.725	S	S	*	*			trans	-138.2	124	161.4	43.1	0	0	0	0	109.1	K386 F390	K386-T388 PolarHBondContact O-N 3.5Å; T388-F390 PolarHBondContact O-N 3.27Å
389	Q	27.6	Very low	33.5	Very low	175 Å²	175	130.3 Å²	130.3	82%	0.818	70%	0.699	S	S	*	*			trans	-70.4	119.1	-173.5	-64.8	167.2	-51.8	0	0	111.1
390	F	28	Very low	34.2	Very low	175 Å²	175	129.2 Å²	129.2	77%	0.768	69%	0.688	S	S	*	*			trans	-104.1	74.2	170.4	-139.1	-91.1	0	0	0	110.3	T388 T392	T388-F390 PolarHBondContact O-N 3.27Å; F390-T392 VanDerWaalsContact C-N 3.32Å; F390-T392 HydrophobicContact CD1-CG2 3.74Å; F390-T392 HydrophobicContact CE1-CG2 3.71Å; F390-T392 PolarHBondContact O-N 3.42Å
391	N	25.7	Very low	35.1	Very low	137 Å²	137	123 Å²	123	73%	0.733	66%	0.657	S	S	*	*			trans	-75.5	77.7	179.3	-75.9	-11.6	0	0	0	111.3	T393	N391-T393 PolarHBondContact O-N 3.11Å
392	T	33.6	Very low	35.8	Very low	98 Å²	98	120.4 Å²	120.4	60%	0.601	64%	0.636	S	S	*	*			trans	-84.4	92.1	170.4	34.2	0	0	0	0	111	F390 F394	F390-T392 VanDerWaalsContact C-N 3.32Å; F390-T392 HydrophobicContact CD1-CG2 3.74Å; F390-T392 HydrophobicContact CE1-CG2 3.71Å; F390-T392 PolarHBondContact O-N 3.42Å; T392-F394 PolarHBondContact O-N 2.93Å
393	T	31.1	Very low	36.5	Very low	107 Å²	107	119.5 Å²	119.5	66%	0.656	63%	0.627	S	S	*	*			trans	-59	118.9	-177.3	-39.4	0	0	0	0	112.2	N391 N395	N391-T393 PolarHBondContact O-N 3.11Å; T393-N395 WeakPolarHBondContact CG2-ND2 3.43Å; T393-N395 PolarHBondContact O-N 3.18Å
394	F	32.1	Very low	37.3	Very low	166 Å²	166	112.7 Å²	112.7	73%	0.728	60%	0.598	S	S	*	*			trans	-75.7	59.3	-170.4	-124.2	-103.6	0	0	0	113.9	T392 N396	T392-F394 PolarHBondContact O-N 2.93Å; F394-N396 PolarHBondContact O-N 2.79Å; F394-N396 VanDerWaalsContact O-N 3.12Å
395	N	30.2	Very low	37.9	Very low	113 Å²	113	114.7 Å²	114.7	60%	0.604	60%	0.602	S	S	*	*			trans	-87.9	43.5	-166	-78.9	-19.7	0	0	0	115.6	T393	T393-N395 WeakPolarHBondContact CG2-ND2 3.43Å; T393-N395 PolarHBondContact O-N 3.18Å
396	N	36.5	Very low	38.2	Very low	107 Å²	107	118.9 Å²	118.9	57%	0.572	60%	0.604	S	S	*	*			trans	-106.3	140.3	173.6	-78.7	-31.5	0	0	0	112.1	F394 I398 K493	F394-N396 PolarHBondContact O-N 2.79Å; F394-N396 VanDerWaalsContact O-N 3.12Å; N396-I398 HydrophobicContact CB-CB 4.48Å; N396-I398 PolarHBondContact O-N 3.34Å; N396-K493 PolarHBondContact O-NZ 2.76Å
397	P	35.9	Very low	39.2	Very low	90 Å²	90	116.7 Å²	116.7	58%	0.584	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	10.6	176.5	-21.6	34.4	0	0	0	116
398	I	47.9	Very low	40.6	Very low	69 Å²	69	111.4 Å²	111.4	35%	0.354	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.7	-12.6	-150.6	-70.4	170	0	0	0	113.2	N396 I400 C401 Y402	N396-I398 HydrophobicContact CB-CB 4.48Å; N396-I398 PolarHBondContact O-N 3.34Å; I398-I400 VanDerWaalsContact C-N 3.29Å; I398-I400 PolarHBondContact O-N 3.39Å; I398-I400 VanDerWaalsContact O-N 3.13Å; I398-C401 PolarHBondContact O-N 3.47Å; I398-Y402 HydrophobicContact CG2-CD2 3.48Å; I398-Y402 VanDerWaalsContact CG2-CD2 3.48Å; I398-Y402 HydrophobicContact CG2-CE2 3.38Å
399	S	45.9	Very low	42	Very low	33 Å²	33	107.4 Å²	107.4	23%	0.231	55%	0.546	C	S	.	.	G	3₁₀ helix	trans	-59.9	-33	-166.7	86.2	0	0	0	0	114	C401 Y402 D403	S399-C401 PolarHBondContact O-N 2.9Å; S399-Y402 CarbonylContact O-C 3.58Å; S399-Y402 PolarHBondContact O-N 3.01Å; S399-D403 VanDerWaalsContact C-OD2 3.24Å; S399-D403 WeakPolarHBondContact CB-OD1 3.44Å; S399-D403 WeakPolarHBondContact CB-OD2 3.16Å; S399-D403 WeakPolarHBondContact O-CB 3.35Å; S399-D403 PolarHBondContact O-N 3.32Å; S399-D403 PolarHBondContact OG-OD2 3.38Å
400	I	52.3	Low	44	Very low	82 Å²	82	103.6 Å²	103.6	42%	0.421	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-52	-30.9	174.5	-58.6	173.7	0	0	0	113	I398 L500	I398-I400 VanDerWaalsContact C-N 3.29Å; I398-I400 PolarHBondContact O-N 3.39Å; I398-I400 VanDerWaalsContact O-N 3.13Å; I400-L500 HydrophobicContact CG2-CD2 4.14Å
401	C	51.1	Low	45.9	Very low	19 Å²	19	102.4 Å²	102.4	13%	0.128	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-84.7	-8.5	179.4	-34.6	0	0	0	0	114.1	I398 S399 C416 L804	I398-C401 PolarHBondContact O-N 3.47Å; S399-C401 PolarHBondContact O-N 2.9Å; C401-C416 HydrophobicContact CB-CB 3.58Å; C401-C416 WeakPolarHBondContact CB-SG 3.23Å; C401-C416 WeakPolarHBondContact SG-CB 3.24Å; C401-C416 CovalentContact SG-SG 2.03Å; C401-C416 PolarHBondContact SG-SG 2.88Å; C401-L804 HydrophobicContact CB-CD2 4.25Å
402	Y	50.1	Low	47.8	Very low	100 Å²	100	96.9 Å²	96.9	39%	0.392	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.4	-13.9	-169.3	-66	-91.7	0	0	0	114.6	I398 S399 S404 Q413	I398-Y402 HydrophobicContact CG2-CD2 3.48Å; I398-Y402 VanDerWaalsContact CG2-CD2 3.48Å; I398-Y402 HydrophobicContact CG2-CE2 3.38Å; S399-Y402 CarbonylContact O-C 3.58Å; S399-Y402 PolarHBondContact O-N 3.01Å; Y402-S404 PolarHBondContact O-N 2.82Å; Y402-Q413 HydrophobicContact CE1-CG 4.35Å; Y402-Q413 PolarHBondContact OH-NE2 3.15Å
403	D	48.1	Very low	49.2	Very low	96 Å²	96	95.8 Å²	95.8	51%	0.513	49%	0.489	S	S	.	.			trans	-75	16	179	-67	-23.4	0	0	0	113.4	S399 L405	S399-D403 VanDerWaalsContact C-OD2 3.24Å; S399-D403 WeakPolarHBondContact CB-OD1 3.44Å; S399-D403 WeakPolarHBondContact CB-OD2 3.16Å; S399-D403 WeakPolarHBondContact O-CB 3.35Å; S399-D403 PolarHBondContact O-N 3.32Å; S399-D403 PolarHBondContact OG-OD2 3.38Å; D403-L405 PolarHBondContact O-N 2.93Å
404	S	47.1	Very low	51	Low	41 Å²	41	93.2 Å²	93.2	29%	0.287	47%	0.468	S	S	.	.			trans	-72.3	120.2	168	57.5	0	0	0	0	109.2	Y402 W406	Y402-S404 PolarHBondContact O-N 2.82Å; S404-W406 PolarHBondContact O-N 3.1Å; S404-W406 PolarHBondContact OG-O 3.29Å
405	L	45.6	Very low	52.6	Low	169 Å²	169	87.9 Å²	87.9	89%	0.885	45%	0.447	S	S	*	.	S	Bend	trans	-67.2	12.7	178.2	-137.6	80.1	0	0	0	114.6	D403	D403-L405 PolarHBondContact O-N 2.93Å
406	W	40.2	Very low	54.2	Low	218 Å²	218	84.6 Å²	84.6	83%	0.826	43%	0.433	S	S	*	.	S	Bend	trans	-137.7	151.4	-177.4	-60.9	92.2	0	0	0	107.3	S404	S404-W406 PolarHBondContact O-N 3.1Å; S404-W406 PolarHBondContact OG-O 3.29Å
407	H	53.4	Low	55.5	Low	156 Å²	156	81 Å²	81	72%	0.722	42%	0.416	S	S	*	.			trans	-40.6	127.2	-173.1	-73.3	-74	0	0	0	112.8	N409	H407-N409 PolarHBondContact O-N 3.06Å
408	P	56.1	Low	57.3	Low	64 Å²	64	77.7 Å²	77.7	42%	0.416	40%	0.395	S	S	.	.			trans	-59.9	106.4	-171.8	23.3	-33.8	0	0	0	110
409	N	63.8	Low	58.5	Low	41 Å²	41	75.1 Å²	75.1	22%	0.219	38%	0.381	C	S	.	.			trans	-60.9	121.6	-175.1	165.7	-1	0	0	0	108.3	H407 K411 I412 Q413 D807	H407-N409 PolarHBondContact O-N 3.06Å; N409-K411 PolarHBondContact O-N 3.42Å; N409-K411 WeakPolarHBondContact OD1-CB 3.18Å; N409-K411 PolarHBondContact OD1-N 3.31Å; N409-K411 VanDerWaalsContact OD1-N 3.12Å; N409-I412 HydrophobicContact CB-CB 4.47Å; N409-I412 HydrophobicContact CB-CD1 3.78Å; N409-I412 HydrophobicContact CB-CG1 3.75Å; N409-I412 WeakPolarHBondContact O-CA 3.38Å; N409-I412 VanDerWaalsContact O-CB 3.24Å; N409-I412 WeakPolarHBondContact O-CB 3.44Å; N409-I412 PolarHBondContact O-N 2.89Å; N409-Q413 PolarHBondContact O-N 3.07Å; N409-D807 PolarHBondContact ND2-OD2 3.31Å
410	P	69.7	Low	60.1	Low	95 Å²	95	73.8 Å²	73.8	62%	0.617	37%	0.372	S	S	*	.	H	α-helix	trans	-63.5	-20.4	-169.4	23.8	-34.4	0	0	0	113.1	K414	P410-K414 WeakPolarHBondContact O-CB 3.34Å; P410-K414 PolarHBondContact O-N 3.45Å
411	K	67.8	Low	61.7	Low	149 Å²	149	71.5 Å²	71.5	65%	0.648	36%	0.363	S	S	*	.	H	α-helix	trans	-64.9	-46.5	170.9	-57.8	174.5	-175.2	171.7	0	110.9	N409 Q413 K414 D415	N409-K411 PolarHBondContact O-N 3.42Å; N409-K411 WeakPolarHBondContact OD1-CB 3.18Å; N409-K411 PolarHBondContact OD1-N 3.31Å; N409-K411 VanDerWaalsContact OD1-N 3.12Å; K411-Q413 PolarHBondContact O-N 3.19Å; K411-K414 PolarHBondContact O-N 3.09Å; K411-D415 WeakPolarHBondContact O-CB 3.46Å; K411-D415 PolarHBondContact O-N 2.83Å
412	I	64.8	Low	63.3	Low	21 Å²	21	74.3 Å²	74.3	11%	0.108	37%	0.374	C	S	.	.	H	α-helix	trans	-58.9	-48.9	177.5	-54.3	-170	0	0	0	110.2	N409 D415 C416 L804 A805	N409-I412 HydrophobicContact CB-CB 4.47Å; N409-I412 HydrophobicContact CB-CD1 3.78Å; N409-I412 HydrophobicContact CB-CG1 3.75Å; N409-I412 WeakPolarHBondContact O-CA 3.38Å; N409-I412 VanDerWaalsContact O-CB 3.24Å; N409-I412 WeakPolarHBondContact O-CB 3.44Å; N409-I412 PolarHBondContact O-N 2.89Å; I412-D415 PolarHBondContact O-N 3.38Å; I412-C416 WeakPolarHBondContact O-CB 3.24Å; I412-C416 PolarHBondContact O-N 3.42Å; I412-L804 HydrophobicContact CG2-CD2 3.31Å; I412-L804 HydrophobicContact CG2-CG 3.8Å; I412-A805 HydrophobicContact CB-CB 4.27Å; I412-A805 HydrophobicContact CD1-CB 3.58Å; I412-A805 HydrophobicContact CG1-CB 3.54Å; I412-A805 HydrophobicContact CG2-CB 4.02Å
413	Q	64.6	Low	65.1	Low	75 Å²	75	72.1 Å²	72.1	35%	0.35	38%	0.382	S	S	.	.	H	α-helix	trans	-64.4	-41.9	179.6	-165	-174.1	16.9	0	0	112.2	Y402 N409 K411 C416 S417	Y402-Q413 HydrophobicContact CE1-CG 4.35Å; Y402-Q413 PolarHBondContact OH-NE2 3.15Å; N409-Q413 PolarHBondContact O-N 3.07Å; K411-Q413 PolarHBondContact O-N 3.19Å; Q413-C416 PolarHBondContact O-N 3.35Å; Q413-S417 WeakPolarHBondContact O-CB 3.37Å; Q413-S417 PolarHBondContact O-N 3.46Å; Q413-S417 VanDerWaalsContact O-N 3.11Å; Q413-S417 PolarHBondContact O-OG 3.45Å
414	K	68.5	Low	67	Low	53 Å²	53	68.6 Å²	68.6	23%	0.23	36%	0.363	C	S	.	.	H	α-helix	trans	-61.4	-47.3	173.8	170.9	-176.2	162.3	-178.1	0	111.7	T315 D317 P410 K411 C416 S417 T418	T315-K414 PolarHBondContact O-NZ 3.04Å; D317-K414 VanDerWaalsContact OD1-CD 3.29Å; D317-K414 WeakPolarHBondContact OD1-CD 3.41Å; D317-K414 WeakPolarHBondContact OD1-CE 3.48Å; D317-K414 IonicContact OD1-NZ 2.6Å; D317-K414 PolarHBondContact OD1-NZ 3.43Å; D317-K414 IonicContact OD2-NZ 3.62Å; D317-K414 PolarHBondContact OD2-NZ 3.49Å; P410-K414 WeakPolarHBondContact O-CB 3.34Å; P410-K414 PolarHBondContact O-N 3.45Å; K411-K414 PolarHBondContact O-N 3.09Å; K414-C416 VanDerWaalsContact C-N 3.27Å; K414-C416 PolarHBondContact O-N 3.32Å; K414-S417 PolarHBondContact O-N 3.42Å; K414-S417 PolarHBondContact O-OG 3.34Å; K414-T418 PolarHBondContact O-N 3.21Å; K414-T418 PolarHBondContact O-OG1 2.87Å
415	D	65.5	Low	68.9	Low	54 Å²	54	67.5 Å²	67.5	29%	0.289	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-31.9	180	-82.2	-49.2	0	0	0	112.1	R320 K411 I412 L804	R320-D415 IonicContact CZ-OD1 2.85Å; R320-D415 IonicContact NH1-OD1 2.7Å; R320-D415 PolarHBondContact NH1-OD1 3.31Å; R320-D415 IonicContact NH2-OD1 3.69Å; R320-D415 PolarHBondContact NH2-OD1 3.14Å; K411-D415 WeakPolarHBondContact O-CB 3.46Å; K411-D415 PolarHBondContact O-N 2.83Å; I412-D415 PolarHBondContact O-N 3.38Å; D415-L804 HydrophobicContact CB-CD1 4.03Å
416	C	64.2	Low	71	Confident	45 Å²	45	63.6 Å²	63.6	30%	0.304	34%	0.338	S	S	.	.	H	α-helix	trans	-76	-27.5	177	-126.2	0	0	0	0	113.5	C401 I412 Q413 K414 L804	C401-C416 HydrophobicContact CB-CB 3.58Å; C401-C416 WeakPolarHBondContact CB-SG 3.23Å; C401-C416 WeakPolarHBondContact SG-CB 3.24Å; C401-C416 CovalentContact SG-SG 2.03Å; C401-C416 PolarHBondContact SG-SG 2.88Å; I412-C416 WeakPolarHBondContact O-CB 3.24Å; I412-C416 PolarHBondContact O-N 3.42Å; Q413-C416 PolarHBondContact O-N 3.35Å; K414-C416 VanDerWaalsContact C-N 3.27Å; K414-C416 PolarHBondContact O-N 3.32Å; C416-L804 HydrophobicContact CB-CD1 3.81Å; C416-L804 HydrophobicContact CB-CD2 3.99Å; C416-L804 WeakPolarHBondContact SG-CD2 3.49Å
417	S	64.1	Low	73.5	Confident	31 Å²	31	57.6 Å²	57.6	22%	0.217	32%	0.317	C	S	.	.	H	α-helix	trans	-101.9	-9.3	-172.8	56.3	0	0	0	0	114.1	K322 S323 Q413 K414	K322-S417 WeakPolarHBondContact CA-O 3.47Å; S323-S417 PolarHBondContact N-O 2.92Å; Q413-S417 WeakPolarHBondContact O-CB 3.37Å; Q413-S417 PolarHBondContact O-N 3.46Å; Q413-S417 VanDerWaalsContact O-N 3.11Å; Q413-S417 PolarHBondContact O-OG 3.45Å; K414-S417 PolarHBondContact O-N 3.42Å; K414-S417 PolarHBondContact O-OG 3.34Å
418	T	73.5	Confident	75.3	Confident	21 Å²	21	50.7 Å²	50.7	13%	0.129	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.5	-176	68.2	0	0	0	0	112.7	R320 T321 K414	R320-T418 PolarHBondContact NE-OG1 2.95Å; R320-T418 PolarHBondContact NH2-O 2.86Å; T321-T418 CarbonylContact O-C 3.47Å; T321-T418 WeakPolarHBondContact O-CA 3.44Å; T321-T418 WeakPolarHBondContact O-CB 3.32Å; K414-T418 PolarHBondContact O-N 3.21Å; K414-T418 PolarHBondContact O-OG1 2.87Å
419	E	72.8	Confident	77	Confident	14 Å²	14	50.4 Å²	50.4	7%	0.065	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.2	179.9	-67.6	167.1	-171.7	0	0	109.2	R320 T321 S323 S799	R320-E419 CarbonylContact C-O 3.59Å; R320-E419 WeakPolarHBondContact CA-O 3.44Å; T321-E419 PolarHBondContact N-O 3.45Å; T321-E419 PolarHBondContact O-N 3.2Å; T321-E419 PolarHBondContact OG1-O 3.03Å; S323-E419 VanDerWaalsContact CB-OE1 3.25Å; S323-E419 WeakPolarHBondContact CB-OE1 3.23Å; S323-E419 PolarHBondContact OG-OE1 3.28Å; E419-S799 WeakPolarHBondContact OE2-CB 3.36Å; E419-S799 PolarHBondContact OE2-OG 3.35Å
420	P	80.1	Confident	78.5	Confident	6 Å²	6	51.2 Å²	51.2	4%	0.039	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	142.6	178.2	29.2	-33.8	0	0	0	111.4	E422 V425 M801	P420-E422 PolarHBondContact O-N 2.9Å; P420-V425 HydrophobicContact CB-CG2 4.17Å; P420-V425 HydrophobicContact CG-CG2 3.72Å; P420-M801 WeakPolarHBondContact CD-O 3.44Å
421	S	85.4	Confident	79.6	Confident	33 Å²	33	46.9 Å²	46.9	23%	0.231	26%	0.261	C	S	.	.			trans	-53.4	137.6	-178.7	58.1	0	0	0	0	113.7	F319 G423 L424 V425	F319-S421 PolarHBondContact O-N 3.42Å; F319-S421 PolarHBondContact O-OG 3.2Å; S421-G423 PolarHBondContact O-N 2.89Å; S421-G423 VanDerWaalsContact O-N 3.11Å; S421-L424 WeakPolarHBondContact O-CB 3.43Å; S421-L424 PolarHBondContact O-N 3.06Å; S421-V425 PolarHBondContact O-N 3.28Å
422	E	83.5	Confident	80.9	Confident	79 Å²	79	39.8 Å²	39.8	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-52.1	-38.6	-174.3	-64.6	166.9	173.3	0	0	113.6	P420 L424 V425 T426 R797	P420-E422 PolarHBondContact O-N 2.9Å; E422-L424 PolarHBondContact O-N 2.86Å; E422-V425 PolarHBondContact O-N 3.21Å; E422-T426 WeakPolarHBondContact O-CB 3.35Å; E422-T426 PolarHBondContact O-N 3.3Å; E422-T426 PolarHBondContact O-OG1 2.9Å; E422-R797 IonicContact OE1-CZ 3.68Å; E422-R797 IonicContact OE1-NH1 2.7Å; E422-R797 PolarHBondContact OE1-NH1 2.98Å; E422-R797 IonicContact OE2-CZ 3.32Å; E422-R797 IonicContact OE2-NH1 2.87Å; E422-R797 PolarHBondContact OE2-NH1 2.96Å
423	G	88	Confident	82.3	Confident	54 Å²	54	40.8 Å²	40.8	56%	0.557	24%	0.239	S	C	*	.	H	α-helix	trans	-65.2	-36	177.5	0	0	0	0	0	113.2	S421 F427	S421-G423 PolarHBondContact O-N 2.89Å; S421-G423 VanDerWaalsContact O-N 3.11Å; G423-F427 VanDerWaalsContact O-CB 3.32Å; G423-F427 WeakPolarHBondContact O-CB 3.4Å; G423-F427 PolarHBondContact O-N 3.25Å
424	L	89.3	Confident	83.8	Confident	22 Å²	22	41.7 Å²	41.7	12%	0.115	25%	0.245	C	C	.	.	H	α-helix	trans	-72.3	-41.2	177.8	-166.9	68.2	0	0	0	111.1	C310 L313 F319 S421 E422 F427 D428	C310-L424 HydrophobicContact CB-CD1 4.4Å; C310-L424 VanDerWaalsContact SG-CD1 3.51Å; L313-L424 HydrophobicContact CB-CD1 4.35Å; L313-L424 HydrophobicContact CB-CD2 4.05Å; F319-L424 HydrophobicContact CB-CD2 4.3Å; S421-L424 WeakPolarHBondContact O-CB 3.43Å; S421-L424 PolarHBondContact O-N 3.06Å; E422-L424 PolarHBondContact O-N 2.86Å; L424-F427 PolarHBondContact O-N 2.97Å; L424-D428 PolarHBondContact O-N 3.41Å
425	V	85.6	Confident	85	Confident	17 Å²	17	39.4 Å²	39.4	10%	0.103	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-44.6	173.6	-179.1	0	0	0	0	110.9	P420 S421 E422 F427 D428 I429 M801	P420-V425 HydrophobicContact CB-CG2 4.17Å; P420-V425 HydrophobicContact CG-CG2 3.72Å; S421-V425 PolarHBondContact O-N 3.28Å; E422-V425 PolarHBondContact O-N 3.21Å; V425-F427 VanDerWaalsContact C-N 3.33Å; V425-F427 PolarHBondContact O-N 2.99Å; V425-D428 PolarHBondContact O-N 3.2Å; V425-I429 HydrophobicContact CG1-CD1 4Å; V425-I429 WeakPolarHBondContact O-CG1 3.46Å; V425-I429 PolarHBondContact O-N 3.01Å; V425-M801 HydrophobicContact CG1-SD 4.45Å
426	T	89.6	Confident	86.5	Confident	87 Å²	87	38.1 Å²	38.1	53%	0.534	23%	0.23	S	C	.	.	H	α-helix	trans	-62.4	-40.4	177.2	-57.7	0	0	0	0	111.7	E422 S430	E422-T426 WeakPolarHBondContact O-CB 3.35Å; E422-T426 PolarHBondContact O-N 3.3Å; E422-T426 PolarHBondContact O-OG1 2.9Å; T426-S430 WeakPolarHBondContact O-CB 3.35Å; T426-S430 PolarHBondContact O-N 2.84Å; T426-S430 PolarHBondContact O-OG 2.67Å
427	F	92.7	Very high	87.9	Confident	92 Å²	92	41.1 Å²	41.1	40%	0.404	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-41.2	174.6	-176.7	-121.2	0	0	0	111.8	A306 C310 G423 L424 V425 S430 L431	A306-F427 HydrophobicContact CB-CE1 4.42Å; A306-F427 HydrophobicContact CB-CZ 4.22Å; C310-F427 HydrophobicContact CB-CD1 4.19Å; C310-F427 HydrophobicContact CB-CE1 4.32Å; G423-F427 VanDerWaalsContact O-CB 3.32Å; G423-F427 WeakPolarHBondContact O-CB 3.4Å; G423-F427 PolarHBondContact O-N 3.25Å; L424-F427 PolarHBondContact O-N 2.97Å; V425-F427 VanDerWaalsContact C-N 3.33Å; V425-F427 PolarHBondContact O-N 2.99Å; F427-S430 WeakPolarHBondContact O-CB 3.03Å; F427-S430 PolarHBondContact O-N 3.04Å; F427-L431 HydrophobicContact CD1-CD1 3.98Å; F427-L431 HydrophobicContact CD2-CG 4.5Å; F427-L431 HydrophobicContact CE1-CD1 3.58Å; F427-L431 HydrophobicContact CE1-CG 4.36Å; F427-L431 HydrophobicContact CE2-CD1 4.3Å; F427-L431 HydrophobicContact CE2-CD2 4.35Å; F427-L431 HydrophobicContact CE2-CG 4.23Å; F427-L431 HydrophobicContact CZ-CD1 3.76Å; F427-L431 HydrophobicContact CZ-CD2 4.28Å; F427-L431 HydrophobicContact CZ-CG 4.17Å; F427-L431 WeakPolarHBondContact O-CG 3.47Å; F427-L431 PolarHBondContact O-N 2.98Å
428	D	91.8	Very high	89.4	Confident	11 Å²	11	39.9 Å²	39.9	6%	0.059	23%	0.232	C	C	.	.	H	α-helix	trans	-66.8	-42.6	179.1	-168	48.3	0	0	0	113.6	L424 V425 S430 L431 N432 Y468 R513	L424-D428 PolarHBondContact O-N 3.41Å; V425-D428 PolarHBondContact O-N 3.2Å; D428-S430 VanDerWaalsContact C-N 3.3Å; D428-S430 PolarHBondContact O-N 2.7Å; D428-L431 PolarHBondContact O-N 3.36Å; D428-N432 PolarHBondContact O-N 2.79Å; D428-N432 PolarHBondContact O-ND2 3.11Å; D428-N432 PolarHBondContact OD1-ND2 3.33Å; D428-N432 VanDerWaalsContact OD1-ND2 3.08Å; D428-N432 PolarHBondContact OD2-ND2 3.49Å; D428-Y468 VanDerWaalsContact OD2-CE2 3.29Å; D428-Y468 WeakPolarHBondContact OD2-CE2 3.28Å; D428-R513 IonicContact OD1-CZ 2.76Å; D428-R513 IonicContact OD1-NH1 2.74Å; D428-R513 PolarHBondContact OD1-NH1 3.39Å; D428-R513 IonicContact OD1-NH2 2.97Å; D428-R513 PolarHBondContact OD1-NH2 2.89Å; D428-R513 IonicContact OD2-CZ 3.06Å; D428-R513 IonicContact OD2-NH1 2.81Å; D428-R513 IonicContact OD2-NH2 2.75Å; D428-R513 PolarHBondContact OD2-NH2 2.88Å
429	I	91.8	Very high	90.3	Very high	58 Å²	58	40 Å²	40	30%	0.297	23%	0.231	S	C	.	.	H	α-helix	trans	-58.9	-45.7	172	-66.6	165.6	0	0	0	109.6	V425 L431 N432 C433 Y468 M472	V425-I429 HydrophobicContact CG1-CD1 4Å; V425-I429 WeakPolarHBondContact O-CG1 3.46Å; V425-I429 PolarHBondContact O-N 3.01Å; I429-L431 PolarHBondContact O-N 3.09Å; I429-N432 PolarHBondContact O-N 3.04Å; I429-C433 WeakPolarHBondContact O-CB 3.28Å; I429-C433 PolarHBondContact O-N 3.18Å; I429-C433 PolarHBondContact O-SG 3.41Å; I429-Y468 WeakPolarHBondContact CA-OH 3.3Å; I429-Y468 WeakPolarHBondContact CG1-OH 3.2Å; I429-M472 HydrophobicContact CD1-CE 4Å; I429-M472 HydrophobicContact CG1-CE 4.1Å
430	S	94.5	Very high	91.3	Very high	59 Å²	59	44.1 Å²	44.1	41%	0.413	25%	0.253	S	S	.	.	H	α-helix	trans	-60.1	-42.9	178.5	-59.8	0	0	0	0	112.4	T426 F427 D428 L434	T426-S430 WeakPolarHBondContact O-CB 3.35Å; T426-S430 PolarHBondContact O-N 2.84Å; T426-S430 PolarHBondContact O-OG 2.67Å; F427-S430 WeakPolarHBondContact O-CB 3.03Å; F427-S430 PolarHBondContact O-N 3.04Å; D428-S430 VanDerWaalsContact C-N 3.3Å; D428-S430 PolarHBondContact O-N 2.7Å; S430-L434 WeakPolarHBondContact O-CG 3.49Å; S430-L434 PolarHBondContact O-N 2.92Å; S430-L434 VanDerWaalsContact O-N 3.08Å
431	L	94.7	Very high	92	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-65.8	-46.4	176.6	-73.2	177.4	0	0	0	112.2	L303 F427 D428 I429 C433 L434 F435	L303-L431 HydrophobicContact CB-CD2 4.39Å; L303-L431 HydrophobicContact CD2-CD2 3.85Å; F427-L431 HydrophobicContact CD1-CD1 3.98Å; F427-L431 HydrophobicContact CD2-CG 4.5Å; F427-L431 HydrophobicContact CE1-CD1 3.58Å; F427-L431 HydrophobicContact CE1-CG 4.36Å; F427-L431 HydrophobicContact CE2-CD1 4.3Å; F427-L431 HydrophobicContact CE2-CD2 4.35Å; F427-L431 HydrophobicContact CE2-CG 4.23Å; F427-L431 HydrophobicContact CZ-CD1 3.76Å; F427-L431 HydrophobicContact CZ-CD2 4.28Å; F427-L431 HydrophobicContact CZ-CG 4.17Å; F427-L431 WeakPolarHBondContact O-CG 3.47Å; F427-L431 PolarHBondContact O-N 2.98Å; D428-L431 PolarHBondContact O-N 3.36Å; I429-L431 PolarHBondContact O-N 3.09Å; L431-C433 VanDerWaalsContact C-N 3.33Å; L431-C433 PolarHBondContact O-N 3.48Å; L431-L434 WeakPolarHBondContact O-CB 3.29Å; L431-L434 PolarHBondContact O-N 3.17Å; L431-L434 VanDerWaalsContact O-N 3.12Å; L431-F435 HydrophobicContact CB-CE2 4.15Å; L431-F435 WeakPolarHBondContact O-CD2 3.42Å; L431-F435 PolarHBondContact O-N 2.87Å
432	N	93.4	Very high	92.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-71.4	-27.6	-179.1	-70	-68	0	0	0	112.8	D428 I429 F435 T436 Y468 R516	D428-N432 PolarHBondContact O-N 2.79Å; D428-N432 PolarHBondContact O-ND2 3.11Å; D428-N432 PolarHBondContact OD1-ND2 3.33Å; D428-N432 VanDerWaalsContact OD1-ND2 3.08Å; D428-N432 PolarHBondContact OD2-ND2 3.49Å; I429-N432 PolarHBondContact O-N 3.04Å; N432-F435 PolarHBondContact O-N 3.02Å; N432-T436 PolarHBondContact O-N 3.41Å; N432-T436 PolarHBondContact O-OG1 3.09Å; N432-Y468 HydrophobicContact CB-CD1 3.69Å; N432-Y468 HydrophobicContact CB-CE1 3.48Å; N432-Y468 VanDerWaalsContact CB-CE1 3.48Å; N432-Y468 HydrophobicContact CB-CG 4.29Å; N432-R516 PolarHBondContact OD1-NH1 2.87Å; N432-R516 PolarHBondContact OD1-NH2 3.1Å
433	C	95.2	Very high	92.8	Very high	42 Å²	42	43.8 Å²	43.8	28%	0.284	25%	0.251	S	S	.	.	H	α-helix	trans	-61.6	-44.4	164.1	-76.4	0	0	0	0	112.6	I429 L431 F435 T436 I437	I429-C433 WeakPolarHBondContact O-CB 3.28Å; I429-C433 PolarHBondContact O-N 3.18Å; I429-C433 PolarHBondContact O-SG 3.41Å; L431-C433 VanDerWaalsContact C-N 3.33Å; L431-C433 PolarHBondContact O-N 3.48Å; C433-F435 VanDerWaalsContact C-N 3.34Å; C433-F435 PolarHBondContact O-N 2.89Å; C433-T436 PolarHBondContact O-N 2.92Å; C433-T436 PolarHBondContact O-OG1 3.42Å; C433-I437 WeakPolarHBondContact O-CD1 3.2Å; C433-I437 VanDerWaalsContact O-CG1 3.26Å; C433-I437 WeakPolarHBondContact O-CG1 3.24Å; C433-I437 PolarHBondContact O-N 3.32Å; C433-I437 VanDerWaalsContact O-N 3.09Å
434	L	95.3	Very high	93	Very high	94 Å²	94	46.6 Å²	46.6	49%	0.492	25%	0.252	S	S	.	.	H	α-helix	trans	-63.3	-40	175.7	-72.8	169.3	0	0	0	111.7	S430 L431 I437 E438	S430-L434 WeakPolarHBondContact O-CG 3.49Å; S430-L434 PolarHBondContact O-N 2.92Å; S430-L434 VanDerWaalsContact O-N 3.08Å; L431-L434 WeakPolarHBondContact O-CB 3.29Å; L431-L434 PolarHBondContact O-N 3.17Å; L431-L434 VanDerWaalsContact O-N 3.12Å; L434-I437 PolarHBondContact O-N 3.36Å; L434-E438 WeakPolarHBondContact O-CB 3.34Å; L434-E438 PolarHBondContact O-N 3.31Å
435	F	94.8	Very high	93.1	Very high	5 Å²	5	46 Å²	46	2%	0.022	25%	0.249	C	C	.	.	H	α-helix	trans	-71.7	-33.7	178.1	-65.5	-55	0	0	0	113.9	L303 M304 L431 N432 C433 E438 F439 L465	L303-F435 HydrophobicContact CB-CE1 4.4Å; L303-F435 HydrophobicContact CB-CZ 4Å; M304-F435 HydrophobicContact CE-CD1 4.39Å; M304-F435 HydrophobicContact CE-CE1 3.86Å; M304-F435 HydrophobicContact CG-CE1 3.74Å; M304-F435 HydrophobicContact CG-CZ 3.83Å; L431-F435 HydrophobicContact CB-CE2 4.15Å; L431-F435 WeakPolarHBondContact O-CD2 3.42Å; L431-F435 PolarHBondContact O-N 2.87Å; N432-F435 PolarHBondContact O-N 3.02Å; C433-F435 VanDerWaalsContact C-N 3.34Å; C433-F435 PolarHBondContact O-N 2.89Å; F435-E438 PolarHBondContact O-N 3.29Å; F435-F439 WeakPolarHBondContact O-CB 3.43Å; F435-F439 PolarHBondContact O-N 3.33Å; F435-L465 HydrophobicContact CB-CD2 3.9Å
436	T	95.6	Very high	93.3	Very high	27 Å²	27	45.1 Å²	45.1	17%	0.166	24%	0.244	C	C	.	.	H	α-helix	trans	-66.6	-41.2	170.4	49.3	0	0	0	0	111.7	N432 C433 E438 F439 L440 L465 W469	N432-T436 PolarHBondContact O-N 3.41Å; N432-T436 PolarHBondContact O-OG1 3.09Å; C433-T436 PolarHBondContact O-N 2.92Å; C433-T436 PolarHBondContact O-OG1 3.42Å; T436-E438 VanDerWaalsContact C-N 3.35Å; T436-E438 PolarHBondContact O-N 3.34Å; T436-F439 PolarHBondContact O-N 3.21Å; T436-L440 VanDerWaalsContact O-CB 3.26Å; T436-L440 WeakPolarHBondContact O-CB 3.27Å; T436-L440 WeakPolarHBondContact O-CG 3.05Å; T436-L440 PolarHBondContact O-N 2.93Å; T436-L465 HydrophobicContact CG2-CB 4.48Å; T436-L465 HydrophobicContact CG2-CD1 4.3Å; T436-L465 HydrophobicContact CG2-CD2 3.97Å; T436-L465 HydrophobicContact CG2-CG 4.48Å; T436-W469 HydrophobicContact CG2-CZ2 4.44Å
437	I	95.2	Very high	93.1	Very high	107 Å²	107	42.5 Å²	42.5	55%	0.549	23%	0.228	S	C	.	.	H	α-helix	trans	-62.6	-42.7	175.7	-65.7	165.6	0	0	0	110.4	C433 L434 L441	C433-I437 WeakPolarHBondContact O-CD1 3.2Å; C433-I437 VanDerWaalsContact O-CG1 3.26Å; C433-I437 WeakPolarHBondContact O-CG1 3.24Å; C433-I437 PolarHBondContact O-N 3.32Å; C433-I437 VanDerWaalsContact O-N 3.09Å; L434-I437 PolarHBondContact O-N 3.36Å; I437-L441 WeakPolarHBondContact O-CB 3.47Å; I437-L441 PolarHBondContact O-N 2.95Å
438	E	93.7	Very high	92.9	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.028	23%	0.233	C	C	.	.	H	α-helix	trans	-57.6	-49.9	173.4	-167.4	-141.8	143.4	0	0	111.8	M284 L300 L434 F435 T436 K442 K519	M284-E438 HydrophobicContact CE-CG 4.19Å; L300-E438 HydrophobicContact CD1-CG 4.08Å; L300-E438 HydrophobicContact CD2-CG 4.18Å; L434-E438 WeakPolarHBondContact O-CB 3.34Å; L434-E438 PolarHBondContact O-N 3.31Å; F435-E438 PolarHBondContact O-N 3.29Å; T436-E438 VanDerWaalsContact C-N 3.35Å; T436-E438 PolarHBondContact O-N 3.34Å; E438-K442 WeakPolarHBondContact O-CG 3.41Å; E438-K442 PolarHBondContact O-N 2.78Å; E438-K442 WeakPolarHBondContact OE1-CE 3.35Å; E438-K442 IonicContact OE1-NZ 3.25Å; E438-K442 PolarHBondContact OE1-NZ 3.44Å; E438-K519 IonicContact OE1-NZ 2.74Å; E438-K519 IonicContact OE2-NZ 3.38Å
439	F	93.6	Very high	92.9	Very high	23 Å²	23	46.6 Å²	46.6	10%	0.101	25%	0.25	C	C	.	.	H	α-helix	trans	-67.7	-47.7	-177.1	-178.4	-98.9	0	0	0	112.2	F435 T436 L441 K442 V443 L453 D461 M462 L465	F435-F439 WeakPolarHBondContact O-CB 3.43Å; F435-F439 PolarHBondContact O-N 3.33Å; T436-F439 PolarHBondContact O-N 3.21Å; F439-L441 VanDerWaalsContact C-N 3.35Å; F439-L441 PolarHBondContact O-N 3.44Å; F439-K442 CarbonylContact O-C 3.57Å; F439-K442 WeakPolarHBondContact O-CA 3.44Å; F439-K442 WeakPolarHBondContact O-CB 3.39Å; F439-K442 PolarHBondContact O-N 3.42Å; F439-K442 VanDerWaalsContact O-N 3.15Å; F439-V443 HydrophobicContact CD1-CG2 4.16Å; F439-V443 HydrophobicContact CE1-CG2 3.81Å; F439-V443 HydrophobicContact CZ-CG2 4.03Å; F439-V443 WeakPolarHBondContact O-CG2 3.38Å; F439-V443 PolarHBondContact O-N 2.97Å; F439-L453 HydrophobicContact CZ-CD2 3.97Å; F439-D461 HydrophobicContact CD2-CB 3.66Å; F439-D461 HydrophobicContact CE2-CB 3.76Å; F439-M462 HydrophobicContact CZ-CB 4.03Å; F439-L465 HydrophobicContact CB-CD1 3.74Å; F439-L465 HydrophobicContact CD1-CD1 4.35Å; F439-L465 HydrophobicContact CG-CD1 3.98Å
440	L	94.3	Very high	92.8	Very high	101 Å²	101	48.6 Å²	48.6	53%	0.529	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-43	177.2	-70.5	170.4	0	0	0	111.2	T436 K442 V443 L444	T436-L440 VanDerWaalsContact O-CB 3.26Å; T436-L440 WeakPolarHBondContact O-CB 3.27Å; T436-L440 WeakPolarHBondContact O-CG 3.05Å; T436-L440 PolarHBondContact O-N 2.93Å; L440-K442 VanDerWaalsContact C-N 3.31Å; L440-K442 PolarHBondContact O-N 3Å; L440-V443 PolarHBondContact O-N 3.3Å; L440-L444 WeakPolarHBondContact O-CB 3.42Å; L440-L444 VanDerWaalsContact O-CG 3.29Å; L440-L444 WeakPolarHBondContact O-CG 3.36Å; L440-L444 PolarHBondContact O-N 2.92Å
441	L	93.1	Very high	92.6	Very high	70 Å²	70	52.6 Å²	52.6	37%	0.366	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-38.7	175.4	-175.2	58.8	0	0	0	111.4	M284 I437 F439 L444 L445	M284-L441 HydrophobicContact CE-CB 4.2Å; M284-L441 HydrophobicContact CE-CD2 3.81Å; M284-L441 HydrophobicContact CE-CG 4.02Å; M284-L441 HydrophobicContact SD-CB 4.41Å; M284-L441 HydrophobicContact SD-CD2 3.61Å; M284-L441 HydrophobicContact SD-CG 3.66Å; I437-L441 WeakPolarHBondContact O-CB 3.47Å; I437-L441 PolarHBondContact O-N 2.95Å; F439-L441 VanDerWaalsContact C-N 3.35Å; F439-L441 PolarHBondContact O-N 3.44Å; L441-L444 PolarHBondContact O-N 3.34Å; L441-L445 HydrophobicContact CD1-CD1 3.94Å; L441-L445 HydrophobicContact CD1-CG 4.19Å; L441-L445 HydrophobicContact CG-CD1 3.89Å; L441-L445 WeakPolarHBondContact O-CB 3.31Å; L441-L445 WeakPolarHBondContact O-CG 3.33Å; L441-L445 PolarHBondContact O-N 2.88Å
442	K	92.3	Very high	92.3	Very high	15 Å²	15	53.2 Å²	53.2	7%	0.065	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-46.8	170.6	-78.1	175.3	170.2	177	0	112.5	W281 M284 E438 F439 L440 L444 L445 A446 F452	W281-K442 HydrophobicContact CZ3-CB 4.26Å; W281-K442 HydrophobicContact CZ3-CG 4.47Å; W281-K442 WeakPolarHBondContact CZ3-O 3.45Å; M284-K442 HydrophobicContact CB-CG 4.44Å; M284-K442 HydrophobicContact CE-CG 3.92Å; M284-K442 VanDerWaalsContact O-CE 3.28Å; M284-K442 WeakPolarHBondContact O-CE 3.49Å; M284-K442 PolarHBondContact O-NZ 3.49Å; M284-K442 HydrophobicContact SD-CG 4.48Å; E438-K442 WeakPolarHBondContact O-CG 3.41Å; E438-K442 PolarHBondContact O-N 2.78Å; E438-K442 WeakPolarHBondContact OE1-CE 3.35Å; E438-K442 IonicContact OE1-NZ 3.25Å; E438-K442 PolarHBondContact OE1-NZ 3.44Å; F439-K442 CarbonylContact O-C 3.57Å; F439-K442 WeakPolarHBondContact O-CA 3.44Å; F439-K442 WeakPolarHBondContact O-CB 3.39Å; F439-K442 PolarHBondContact O-N 3.42Å; F439-K442 VanDerWaalsContact O-N 3.15Å; L440-K442 VanDerWaalsContact C-N 3.31Å; L440-K442 PolarHBondContact O-N 3Å; K442-L444 VanDerWaalsContact C-N 3.29Å; K442-L444 PolarHBondContact O-N 3.46Å; K442-L445 PolarHBondContact O-N 2.95Å; K442-A446 VanDerWaalsContact O-CB 3.24Å; K442-A446 WeakPolarHBondContact O-CB 3.39Å; K442-A446 PolarHBondContact O-N 3.22Å; K442-F452 HydrophobicContact CB-CE1 4.02Å; K442-F452 HydrophobicContact CB-CZ 3.76Å; K442-F452 HydrophobicContact CD-CZ 4.43Å
443	V	93.4	Very high	92.2	Very high	26 Å²	26	56.2 Å²	56.2	16%	0.158	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-34.2	177.1	174.6	0	0	0	0	112.4	F439 L440 K449 F452 L453	F439-V443 HydrophobicContact CD1-CG2 4.16Å; F439-V443 HydrophobicContact CE1-CG2 3.81Å; F439-V443 HydrophobicContact CZ-CG2 4.03Å; F439-V443 WeakPolarHBondContact O-CG2 3.38Å; F439-V443 PolarHBondContact O-N 2.97Å; L440-V443 PolarHBondContact O-N 3.3Å; V443-K449 WeakPolarHBondContact O-CE 3.48Å; V443-F452 HydrophobicContact CG2-CD1 4.2Å; V443-F452 HydrophobicContact CG2-CE1 3.77Å; V443-L453 HydrophobicContact CG2-CD2 3.81Å
444	L	92.9	Very high	91.9	Very high	113 Å²	113	58.9 Å²	58.9	59%	0.592	31%	0.314	S	S	*	.	H	α-helix	trans	-73.2	-37.4	175.7	-69.9	171.4	0	0	0	112.7	L440 L441 K442	L440-L444 WeakPolarHBondContact O-CB 3.42Å; L440-L444 VanDerWaalsContact O-CG 3.29Å; L440-L444 WeakPolarHBondContact O-CG 3.36Å; L440-L444 PolarHBondContact O-N 2.92Å; L441-L444 PolarHBondContact O-N 3.34Å; K442-L444 VanDerWaalsContact C-N 3.29Å; K442-L444 PolarHBondContact O-N 3.46Å
445	L	92.3	Very high	91.5	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-82.4	-35.6	-178.3	-69.7	172.5	0	0	0	113.4	W276 R277 M280 W281 M284 L441 K442	W276-L445 HydrophobicContact CZ3-CD2 4.08Å; R277-L445 HydrophobicContact CB-CD2 4.34Å; R277-L445 HydrophobicContact CG-CD2 4.03Å; R277-L445 WeakPolarHBondContact CG-O 3.3Å; R277-L445 PolarHBondContact NE-O 3.46Å; M280-L445 HydrophobicContact CB-CD1 3.58Å; M280-L445 HydrophobicContact CB-CD2 3.8Å; M280-L445 HydrophobicContact CB-CG 4.34Å; W281-L445 HydrophobicContact CB-CB 4.39Å; W281-L445 HydrophobicContact CE3-CB 4.02Å; M284-L445 HydrophobicContact SD-CD1 3.58Å; M284-L445 VanDerWaalsContact SD-CD1 3.58Å; L441-L445 HydrophobicContact CD1-CD1 3.94Å; L441-L445 HydrophobicContact CD1-CG 4.19Å; L441-L445 HydrophobicContact CG-CD1 3.89Å; L441-L445 WeakPolarHBondContact O-CB 3.31Å; L441-L445 WeakPolarHBondContact O-CG 3.33Å; L441-L445 PolarHBondContact O-N 2.88Å; K442-L445 PolarHBondContact O-N 2.95Å
446	A	89	Confident	91	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.332	C	S	.	.			trans	-46.8	124.2	-177.5	0	0	0	0	0	111.4	R277 W281 K442 F452	R277-A446 PolarHBondContact NH2-O 2.88Å; W281-A446 VanDerWaalsContact CE3-CA 3.44Å; W281-A446 HydrophobicContact CE3-CB 4.08Å; W281-A446 HydrophobicContact CH2-CB 3.78Å; W281-A446 HydrophobicContact CZ2-CB 4.44Å; W281-A446 VanDerWaalsContact CZ3-CA 3.49Å; W281-A446 HydrophobicContact CZ3-CB 3.57Å; K442-A446 VanDerWaalsContact O-CB 3.24Å; K442-A446 WeakPolarHBondContact O-CB 3.39Å; K442-A446 PolarHBondContact O-N 3.22Å; A446-F452 HydrophobicContact CB-CB 3.78Å; A446-F452 HydrophobicContact CB-CD1 3.88Å; A446-F452 HydrophobicContact CB-CG 3.85Å
447	P	86.1	Confident	90.6	Very high	32 Å²	32	61.6 Å²	61.6	21%	0.208	33%	0.331	C	S	.	.	S	Bend	trans	-61.4	-52.7	-176.2	22.1	-30.6	0	0	0	111.1	M263 R277 Y278	M263-P447 HydrophobicContact CE-CG 3.78Å; M263-P447 HydrophobicContact SD-CG 4.26Å; R277-P447 PolarHBondContact NH2-O 3.14Å; Y278-P447 HydrophobicContact CE1-CB 4.07Å
448	D	87.9	Confident	90.4	Very high	94 Å²	94	56.6 Å²	56.6	50%	0.503	31%	0.305	S	S	.	.	S	Bend	trans	-106.1	84.6	179.5	-56.2	-35	0	0	0	109.6	K451 F452	D448-K451 HydrophobicContact CB-CB 3.87Å; D448-K451 PolarHBondContact O-N 3.17Å; D448-K451 VanDerWaalsContact O-N 3.14Å; D448-F452 PolarHBondContact O-N 3.17Å
449	K	91.1	Very high	90.2	Very high	94 Å²	94	59 Å²	59	41%	0.409	32%	0.321	S	S	.	.	H	α-helix	trans	-46	-51.5	-177.2	-67.1	-170.9	176.1	-172.9	0	115	V443 K451 F452 L453	V443-K449 WeakPolarHBondContact O-CE 3.48Å; K449-K451 PolarHBondContact O-N 3.04Å; K449-F452 PolarHBondContact O-N 3.3Å; K449-L453 WeakPolarHBondContact O-CG 3.43Å; K449-L453 PolarHBondContact O-N 3Å
450	P	91.2	Very high	90.1	Very high	100 Å²	100	61 Å²	61	65%	0.649	33%	0.329	S	S	*	.	H	α-helix	trans	-66.5	-37.4	-178.6	25.5	-34.3	0	0	0	112.6	F452 L453 S454	P450-F452 VanDerWaalsContact C-N 3.3Å; P450-F452 PolarHBondContact O-N 3.38Å; P450-L453 PolarHBondContact O-N 3.45Å; P450-S454 WeakPolarHBondContact O-CB 3.28Å; P450-S454 PolarHBondContact O-N 2.82Å
451	K	89	Confident	90	Very high	144 Å²	144	56.7 Å²	56.7	63%	0.626	31%	0.307	S	S	*	.	H	α-helix	trans	-63.4	-36.7	175.7	-172.6	-172	174.6	-166.1	0	111.5	D448 K449	D448-K451 HydrophobicContact CB-CB 3.87Å; D448-K451 PolarHBondContact O-N 3.17Å; D448-K451 VanDerWaalsContact O-N 3.14Å; K449-K451 PolarHBondContact O-N 3.04Å
452	F	88.8	Confident	89.9	Confident	16 Å²	16	57.7 Å²	57.7	7%	0.07	31%	0.31	C	S	.	.	H	α-helix	trans	-69.8	-47.8	174.8	171.5	-113	0	0	0	112.5	W281 K442 V443 A446 D448 K449 P450 S454 S455 S458	W281-F452 AromaticContact CH2-CD2 3.53Å; W281-F452 HydrophobicContact CH2-CD2 3.53Å; W281-F452 AromaticContact CH2-CE2 3.77Å; W281-F452 HydrophobicContact CH2-CE2 3.77Å; W281-F452 HydrophobicContact CH2-CG 4.02Å; W281-F452 HydrophobicContact CH2-CZ 4.46Å; W281-F452 HydrophobicContact CZ2-CD2 4.37Å; W281-F452 HydrophobicContact CZ3-CD2 4.41Å; W281-F452 HydrophobicContact CZ3-CE2 4.4Å; K442-F452 HydrophobicContact CB-CE1 4.02Å; K442-F452 HydrophobicContact CB-CZ 3.76Å; K442-F452 HydrophobicContact CD-CZ 4.43Å; V443-F452 HydrophobicContact CG2-CD1 4.2Å; V443-F452 HydrophobicContact CG2-CE1 3.77Å; A446-F452 HydrophobicContact CB-CB 3.78Å; A446-F452 HydrophobicContact CB-CD1 3.88Å; A446-F452 HydrophobicContact CB-CG 3.85Å; D448-F452 PolarHBondContact O-N 3.17Å; K449-F452 PolarHBondContact O-N 3.3Å; P450-F452 VanDerWaalsContact C-N 3.3Å; P450-F452 PolarHBondContact O-N 3.38Å; F452-S454 VanDerWaalsContact C-N 3.33Å; F452-S454 PolarHBondContact O-N 3.22Å; F452-S455 WeakPolarHBondContact O-CB 3.14Å; F452-S455 PolarHBondContact O-N 3.42Å; F452-S455 VanDerWaalsContact O-N 3.13Å; F452-S455 PolarHBondContact O-OG 3.42Å; F452-S458 WeakPolarHBondContact CD2-OG 3.47Å; F452-S458 WeakPolarHBondContact CE2-OG 3.43Å; F452-S458 VanDerWaalsContact CZ-OG 3.27Å; F452-S458 WeakPolarHBondContact CZ-OG 3.39Å; F452-S458 WeakPolarHBondContact O-CB 3.25Å; F452-S458 PolarHBondContact O-OG 3.15Å
453	L	90.7	Very high	89.9	Confident	64 Å²	64	59.7 Å²	59.7	34%	0.335	32%	0.324	S	S	.	.	H	α-helix	trans	-64.2	-37.4	-179.6	-72.3	168.8	0	0	0	112.1	F439 V443 K449 P450 S455 V459	F439-L453 HydrophobicContact CZ-CD2 3.97Å; V443-L453 HydrophobicContact CG2-CD2 3.81Å; K449-L453 WeakPolarHBondContact O-CG 3.43Å; K449-L453 PolarHBondContact O-N 3Å; P450-L453 PolarHBondContact O-N 3.45Å; L453-S455 PolarHBondContact O-N 2.98Å; L453-V459 WeakPolarHBondContact O-CG2 3.42Å
454	S	89.9	Confident	89.8	Confident	98 Å²	98	58.8 Å²	58.8	69%	0.685	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-5.9	175.3	-178.2	0	0	0	0	114.2	P450 F452	P450-S454 WeakPolarHBondContact O-CB 3.28Å; P450-S454 PolarHBondContact O-N 2.82Å; F452-S454 VanDerWaalsContact C-N 3.33Å; F452-S454 PolarHBondContact O-N 3.22Å
455	S	86.4	Confident	89.9	Confident	40 Å²	40	53.9 Å²	53.9	28%	0.28	29%	0.292	S	S	.	.	S	Bend	trans	-78	134.8	177.4	79.8	0	0	0	0	111.3	F452 L453 V457 S458 V459	F452-S455 WeakPolarHBondContact O-CB 3.14Å; F452-S455 PolarHBondContact O-N 3.42Å; F452-S455 VanDerWaalsContact O-N 3.13Å; F452-S455 PolarHBondContact O-OG 3.42Å; L453-S455 PolarHBondContact O-N 2.98Å; S455-V457 PolarHBondContact O-N 3.4Å; S455-S458 WeakPolarHBondContact O-CA 3.48Å; S455-S458 WeakPolarHBondContact O-CB 3.41Å; S455-S458 PolarHBondContact O-N 2.96Å; S455-S458 PolarHBondContact OG-OG 3.42Å; S455-V459 PolarHBondContact O-N 2.89Å
456	I	85.6	Confident	89.9	Confident	120 Å²	120	56.5 Å²	56.5	62%	0.615	31%	0.311	S	S	*	.	H	α-helix	trans	-51.6	-36.2	-171.1	-168.6	170.1	0	0	0	114.5	V459 F460	I456-V459 PolarHBondContact O-N 3.38Å; I456-F460 HydrophobicContact CD1-CE2 4.1Å; I456-F460 HydrophobicContact CD1-CZ 4.23Å; I456-F460 HydrophobicContact CG1-CD2 4.24Å; I456-F460 HydrophobicContact CG1-CE2 3.7Å; I456-F460 HydrophobicContact CG1-CZ 4.02Å; I456-F460 WeakPolarHBondContact O-CD2 3.36Å; I456-F460 PolarHBondContact O-N 3Å; I456-F460 VanDerWaalsContact O-N 3.09Å
457	V	86.4	Confident	90	Very high	23 Å²	23	57 Å²	57	14%	0.139	32%	0.315	C	S	.	.	H	α-helix	trans	-68	-38.2	177.2	-177.5	0	0	0	0	111.6	S455 D461 K519	S455-V457 PolarHBondContact O-N 3.4Å; V457-D461 PolarHBondContact O-N 3.27Å; V457-D461 VanDerWaalsContact O-N 3.1Å; V457-K519 HydrophobicContact CG1-CG 3.65Å
458	S	90.1	Very high	90.3	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.014	31%	0.305	C	S	.	.	H	α-helix	trans	-73.1	-32.4	175.6	-55.2	0	0	0	0	112.5	F452 S455 D461 M462	F452-S458 WeakPolarHBondContact CD2-OG 3.47Å; F452-S458 WeakPolarHBondContact CE2-OG 3.43Å; F452-S458 VanDerWaalsContact CZ-OG 3.27Å; F452-S458 WeakPolarHBondContact CZ-OG 3.39Å; F452-S458 WeakPolarHBondContact O-CB 3.25Å; F452-S458 PolarHBondContact O-OG 3.15Å; S455-S458 WeakPolarHBondContact O-CA 3.48Å; S455-S458 WeakPolarHBondContact O-CB 3.41Å; S455-S458 PolarHBondContact O-N 2.96Å; S455-S458 PolarHBondContact OG-OG 3.42Å; S458-D461 PolarHBondContact O-N 2.81Å; S458-M462 VanDerWaalsContact O-CB 3.28Å; S458-M462 WeakPolarHBondContact O-CB 3.42Å; S458-M462 PolarHBondContact O-N 2.66Å
459	V	91	Very high	90.5	Very high	57 Å²	57	55.6 Å²	55.6	35%	0.345	30%	0.298	S	S	.	.	H	α-helix	trans	-64.4	-46.1	174.1	177.1	0	0	0	0	110.3	L453 S455 I456 M462 V463	L453-V459 WeakPolarHBondContact O-CG2 3.42Å; S455-V459 PolarHBondContact O-N 2.89Å; I456-V459 PolarHBondContact O-N 3.38Å; V459-M462 PolarHBondContact O-N 3.17Å; V459-V463 WeakPolarHBondContact O-CG2 3.21Å; V459-V463 PolarHBondContact O-N 3.44Å
460	F	90.7	Very high	90.6	Very high	65 Å²	65	54.5 Å²	54.5	29%	0.285	30%	0.299	S	S	.	.	H	α-helix	trans	-62.7	-45.3	174.4	-66.5	-40.8	0	0	0	112.5	I456 M462 V463 I464 L515	I456-F460 HydrophobicContact CD1-CE2 4.1Å; I456-F460 HydrophobicContact CD1-CZ 4.23Å; I456-F460 HydrophobicContact CG1-CD2 4.24Å; I456-F460 HydrophobicContact CG1-CE2 3.7Å; I456-F460 HydrophobicContact CG1-CZ 4.02Å; I456-F460 WeakPolarHBondContact O-CD2 3.36Å; I456-F460 PolarHBondContact O-N 3Å; I456-F460 VanDerWaalsContact O-N 3.09Å; F460-M462 VanDerWaalsContact C-N 3.3Å; F460-M462 PolarHBondContact O-N 3.1Å; F460-V463 PolarHBondContact O-N 2.98Å; F460-I464 WeakPolarHBondContact O-CB 3.34Å; F460-I464 VanDerWaalsContact O-CD1 3.28Å; F460-I464 WeakPolarHBondContact O-CD1 3.21Å; F460-I464 WeakPolarHBondContact O-CG1 3.45Å; F460-I464 PolarHBondContact O-N 3.08Å; F460-L515 HydrophobicContact CD1-CD1 3.76Å; F460-L515 HydrophobicContact CE1-CD1 3.9Å; F460-L515 HydrophobicContact CG-CB 4.41Å; F460-L515 HydrophobicContact CG-CD1 4.19Å; F460-L515 HydrophobicContact CZ-CD1 4.43Å
461	D	91.9	Very high	90.4	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.053	27%	0.268	C	S	.	.	H	α-helix	trans	-54.6	-46.8	172.9	-90.4	-14.5	0	0	0	111.6	F439 V457 S458 L465 K519	F439-D461 HydrophobicContact CD2-CB 3.66Å; F439-D461 HydrophobicContact CE2-CB 3.76Å; V457-D461 PolarHBondContact O-N 3.27Å; V457-D461 VanDerWaalsContact O-N 3.1Å; S458-D461 PolarHBondContact O-N 2.81Å; D461-L465 VanDerWaalsContact O-CB 3.3Å; D461-L465 WeakPolarHBondContact O-CB 3.38Å; D461-L465 WeakPolarHBondContact O-CG 2.98Å; D461-L465 PolarHBondContact O-N 2.99Å; D461-K519 WeakPolarHBondContact OD1-CE 3.38Å; D461-K519 IonicContact OD1-NZ 3.63Å; D461-K519 PolarHBondContact OD1-NZ 3.5Å; D461-K519 WeakPolarHBondContact OD2-CE 3.31Å; D461-K519 IonicContact OD2-NZ 3.64Å; D461-K519 PolarHBondContact OD2-NZ 2.94Å
462	M	91.3	Very high	90.3	Very high	90 Å²	90	44.1 Å²	44.1	44%	0.443	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-50.3	-179	-172.7	-175.8	77.2	0	0	111.5	F439 S458 V459 F460 L465 S466	F439-M462 HydrophobicContact CZ-CB 4.03Å; S458-M462 VanDerWaalsContact O-CB 3.28Å; S458-M462 WeakPolarHBondContact O-CB 3.42Å; S458-M462 PolarHBondContact O-N 2.66Å; V459-M462 PolarHBondContact O-N 3.17Å; F460-M462 VanDerWaalsContact C-N 3.3Å; F460-M462 PolarHBondContact O-N 3.1Å; M462-L465 PolarHBondContact O-N 2.74Å; M462-S466 VanDerWaalsContact O-CB 3.31Å; M462-S466 WeakPolarHBondContact O-CB 3.49Å; M462-S466 PolarHBondContact O-N 2.81Å; M462-S466 PolarHBondContact O-OG 3.12Å
463	V	91.7	Very high	90.2	Very high	57 Å²	57	46.9 Å²	46.9	35%	0.345	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-45	-179	170.4	0	0	0	0	111.7	V459 F460 S466 S467	V459-V463 WeakPolarHBondContact O-CG2 3.21Å; V459-V463 PolarHBondContact O-N 3.44Å; F460-V463 PolarHBondContact O-N 2.98Å; V463-S466 PolarHBondContact O-OG 3.06Å; V463-S467 VanDerWaalsContact O-CB 3.24Å; V463-S467 WeakPolarHBondContact O-CB 3.12Å; V463-S467 PolarHBondContact O-N 2.63Å
464	I	92.3	Very high	89.8	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-44.6	-179.7	-62.8	160.8	0	0	0	110.3	F460 Y468 L512 R513 L515 R516	F460-I464 WeakPolarHBondContact O-CB 3.34Å; F460-I464 VanDerWaalsContact O-CD1 3.28Å; F460-I464 WeakPolarHBondContact O-CD1 3.21Å; F460-I464 WeakPolarHBondContact O-CG1 3.45Å; F460-I464 PolarHBondContact O-N 3.08Å; I464-Y468 WeakPolarHBondContact O-CB 3.26Å; I464-Y468 PolarHBondContact O-N 3.47Å; I464-Y468 VanDerWaalsContact O-N 3.15Å; I464-L512 WeakPolarHBondContact CD1-O 3.4Å; I464-L512 HydrophobicContact CG1-CB 4.04Å; I464-R513 HydrophobicContact CG2-CG 4.1Å; I464-L515 HydrophobicContact CD1-CB 4.34Å; I464-R516 HydrophobicContact CD1-CG 4.11Å
465	L	93.7	Very high	89.2	Confident	10 Å²	10	41 Å²	41	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-70	-45.9	179.6	-67.8	172.3	0	0	0	111.7	F435 T436 F439 D461 M462 S467 Y468 W469	F435-L465 HydrophobicContact CB-CD2 3.9Å; T436-L465 HydrophobicContact CG2-CB 4.48Å; T436-L465 HydrophobicContact CG2-CD1 4.3Å; T436-L465 HydrophobicContact CG2-CD2 3.97Å; T436-L465 HydrophobicContact CG2-CG 4.48Å; F439-L465 HydrophobicContact CB-CD1 3.74Å; F439-L465 HydrophobicContact CD1-CD1 4.35Å; F439-L465 HydrophobicContact CG-CD1 3.98Å; D461-L465 VanDerWaalsContact O-CB 3.3Å; D461-L465 WeakPolarHBondContact O-CB 3.38Å; D461-L465 WeakPolarHBondContact O-CG 2.98Å; D461-L465 PolarHBondContact O-N 2.99Å; M462-L465 PolarHBondContact O-N 2.74Å; L465-S467 VanDerWaalsContact C-N 3.34Å; L465-S467 PolarHBondContact O-N 3.23Å; L465-Y468 PolarHBondContact O-N 2.88Å; L465-W469 PolarHBondContact O-N 3.3Å
466	S	92.3	Very high	88.9	Confident	62 Å²	62	45.4 Å²	45.4	43%	0.434	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-43.7	179	63.9	0	0	0	0	111.2	M462 V463 Y468 W469 V470	M462-S466 VanDerWaalsContact O-CB 3.31Å; M462-S466 WeakPolarHBondContact O-CB 3.49Å; M462-S466 PolarHBondContact O-N 2.81Å; M462-S466 PolarHBondContact O-OG 3.12Å; V463-S466 PolarHBondContact O-OG 3.06Å; S466-Y468 VanDerWaalsContact C-N 3.32Å; S466-Y468 PolarHBondContact O-N 3.47Å; S466-W469 PolarHBondContact O-N 3.41Å; S466-V470 WeakPolarHBondContact O-CB 3.33Å; S466-V470 VanDerWaalsContact O-CG2 3.23Å; S466-V470 WeakPolarHBondContact O-CG2 3.33Å; S466-V470 PolarHBondContact O-N 2.98Å
467	S	92.2	Very high	88.4	Confident	11 Å²	11	46.8 Å²	46.8	8%	0.077	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-39	177.9	-167	0	0	0	0	112.3	V463 L465 Y471 L506 T509	V463-S467 VanDerWaalsContact O-CB 3.24Å; V463-S467 WeakPolarHBondContact O-CB 3.12Å; V463-S467 PolarHBondContact O-N 2.63Å; L465-S467 VanDerWaalsContact C-N 3.34Å; L465-S467 PolarHBondContact O-N 3.23Å; S467-Y471 WeakPolarHBondContact O-CB 3.28Å; S467-Y471 PolarHBondContact O-N 2.91Å; S467-L506 VanDerWaalsContact OG-CD2 3.26Å; S467-L506 WeakPolarHBondContact OG-CD2 3.32Å; S467-T509 PolarHBondContact OG-OG1 3.29Å
468	Y	91.9	Very high	87.7	Confident	3 Å²	3	48.4 Å²	48.4	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-63.9	-47.5	176.2	179.7	-96.4	0	0	0	112.3	D428 I429 N432 I464 L465 S466 Y471 M472	D428-Y468 VanDerWaalsContact OD2-CE2 3.29Å; D428-Y468 WeakPolarHBondContact OD2-CE2 3.28Å; I429-Y468 WeakPolarHBondContact CA-OH 3.3Å; I429-Y468 WeakPolarHBondContact CG1-OH 3.2Å; N432-Y468 HydrophobicContact CB-CD1 3.69Å; N432-Y468 HydrophobicContact CB-CE1 3.48Å; N432-Y468 VanDerWaalsContact CB-CE1 3.48Å; N432-Y468 HydrophobicContact CB-CG 4.29Å; I464-Y468 WeakPolarHBondContact O-CB 3.26Å; I464-Y468 PolarHBondContact O-N 3.47Å; I464-Y468 VanDerWaalsContact O-N 3.15Å; L465-Y468 PolarHBondContact O-N 2.88Å; S466-Y468 VanDerWaalsContact C-N 3.32Å; S466-Y468 PolarHBondContact O-N 3.47Å; Y468-Y471 WeakPolarHBondContact O-CB 3.42Å; Y468-Y471 PolarHBondContact O-N 3.19Å; Y468-M472 HydrophobicContact CD1-CG 4.29Å; Y468-M472 HydrophobicContact CE1-CG 3.86Å; Y468-M472 HydrophobicContact CE2-CG 4.16Å; Y468-M472 HydrophobicContact CE2-SD 4.46Å; Y468-M472 WeakPolarHBondContact O-CG 3.38Å; Y468-M472 PolarHBondContact O-N 2.95Å
469	W	93.2	Very high	86.5	Confident	93 Å²	93	51.5 Å²	51.5	35%	0.352	25%	0.253	S	S	.	.	H	α-helix	trans	-71.3	-36.8	-179.2	-71.4	102.4	0	0	0	112.6	T436 L465 S466 M472 S473	T436-W469 HydrophobicContact CG2-CZ2 4.44Å; L465-W469 PolarHBondContact O-N 3.3Å; S466-W469 PolarHBondContact O-N 3.41Å; W469-M472 PolarHBondContact O-N 3.24Å; W469-S473 WeakPolarHBondContact O-CB 3.18Å; W469-S473 PolarHBondContact O-N 3.14Å; W469-S473 PolarHBondContact O-OG 2.89Å; W469-S473 VanDerWaalsContact O-OG 3.11Å
470	V	91.9	Very high	85.3	Confident	71 Å²	71	52.3 Å²	52.3	43%	0.43	25%	0.25	S	S	.	.	H	α-helix	trans	-63.5	-44.2	172	175.2	0	0	0	0	110.5	S466 M472 S473 L474 L506	S466-V470 WeakPolarHBondContact O-CB 3.33Å; S466-V470 VanDerWaalsContact O-CG2 3.23Å; S466-V470 WeakPolarHBondContact O-CG2 3.33Å; S466-V470 PolarHBondContact O-N 2.98Å; V470-M472 PolarHBondContact O-N 3.24Å; V470-S473 PolarHBondContact O-N 3.06Å; V470-L474 HydrophobicContact CG1-CD1 3.69Å; V470-L474 HydrophobicContact CG1-CG 4.16Å; V470-L474 WeakPolarHBondContact O-CB 3.47Å; V470-L474 VanDerWaalsContact O-CG 3.24Å; V470-L474 WeakPolarHBondContact O-CG 2.91Å; V470-L474 PolarHBondContact O-N 3.46Å; V470-L506 HydrophobicContact CG1-CD1 3.78Å; V470-L506 HydrophobicContact CG1-CD2 4.36Å
471	Y	88.2	Confident	84.2	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.1	-53.1	173	176	-92.1	0	0	0	111.9	S467 Y468 S473 L474 F475 L503 L506 M801 Y802	S467-Y471 WeakPolarHBondContact O-CB 3.28Å; S467-Y471 PolarHBondContact O-N 2.91Å; Y468-Y471 WeakPolarHBondContact O-CB 3.42Å; Y468-Y471 PolarHBondContact O-N 3.19Å; Y471-S473 PolarHBondContact O-N 2.8Å; Y471-L474 PolarHBondContact O-N 3.22Å; Y471-F475 VanDerWaalsContact O-CB 3.3Å; Y471-F475 WeakPolarHBondContact O-CB 3.05Å; Y471-F475 PolarHBondContact O-N 3.25Å; Y471-L503 HydrophobicContact CD2-CD2 4.33Å; Y471-L503 HydrophobicContact CE2-CD2 4.44Å; Y471-L506 HydrophobicContact CD2-CB 4.06Å; Y471-M801 HydrophobicContact CE1-CE 3.7Å; Y471-M801 HydrophobicContact CE1-CG 3.81Å; Y471-M801 HydrophobicContact CE1-SD 3.95Å; Y471-Y802 HydrophobicContact CE1-CE1 4.41Å; Y471-Y802 HydrophobicContact CE2-CD1 4.19Å; Y471-Y802 HydrophobicContact CE2-CE1 4.31Å; Y471-Y802 AromaticContact CZ-CD1 3.76Å; Y471-Y802 AromaticContact CZ-CE1 3.85Å; Y471-Y802 WeakPolarHBondContact OH-CD1 3.28Å
472	M	85.4	Confident	82.8	Confident	27 Å²	27	55.9 Å²	55.9	13%	0.133	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-37.7	-178.4	-67.9	-61	-70.5	0	0	112.5	I429 Y468 W469 V470 Y476 L800 M801	I429-M472 HydrophobicContact CD1-CE 4Å; I429-M472 HydrophobicContact CG1-CE 4.1Å; Y468-M472 HydrophobicContact CD1-CG 4.29Å; Y468-M472 HydrophobicContact CE1-CG 3.86Å; Y468-M472 HydrophobicContact CE2-CG 4.16Å; Y468-M472 HydrophobicContact CE2-SD 4.46Å; Y468-M472 WeakPolarHBondContact O-CG 3.38Å; Y468-M472 PolarHBondContact O-N 2.95Å; W469-M472 PolarHBondContact O-N 3.24Å; V470-M472 PolarHBondContact O-N 3.24Å; M472-Y476 VanDerWaalsContact O-CB 3.29Å; M472-Y476 WeakPolarHBondContact O-CB 3.29Å; M472-Y476 PolarHBondContact O-N 3.42Å; M472-L800 HydrophobicContact CE-CD2 4.41Å; M472-M801 HydrophobicContact CE-SD 4.33Å; M472-M801 HydrophobicContact SD-SD 3.7Å; M472-M801 VanDerWaalsContact SD-SD 3.7Å
473	S	87	Confident	81.3	Confident	74 Å²	74	56.2 Å²	56.2	52%	0.517	26%	0.263	S	S	.	.	H	α-helix	trans	-69.1	-42.9	176.2	-68.3	0	0	0	0	112.8	W469 V470 Y471 Y476 Y477	W469-S473 WeakPolarHBondContact O-CB 3.18Å; W469-S473 PolarHBondContact O-N 3.14Å; W469-S473 PolarHBondContact O-OG 2.89Å; W469-S473 VanDerWaalsContact O-OG 3.11Å; V470-S473 PolarHBondContact O-N 3.06Å; Y471-S473 PolarHBondContact O-N 2.8Å; S473-Y476 PolarHBondContact O-N 3.38Å; S473-Y477 WeakPolarHBondContact O-CB 3.27Å; S473-Y477 PolarHBondContact O-N 3.28Å
474	L	84	Confident	79.8	Confident	34 Å²	34	58.1 Å²	58.1	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-66.2	-43	176	-69.1	172.7	0	0	0	111.2	V470 Y471 Y476 Y477 Y478 L502 L503 L506	V470-L474 HydrophobicContact CG1-CD1 3.69Å; V470-L474 HydrophobicContact CG1-CG 4.16Å; V470-L474 WeakPolarHBondContact O-CB 3.47Å; V470-L474 VanDerWaalsContact O-CG 3.24Å; V470-L474 WeakPolarHBondContact O-CG 2.91Å; V470-L474 PolarHBondContact O-N 3.46Å; Y471-L474 PolarHBondContact O-N 3.22Å; L474-Y476 VanDerWaalsContact C-N 3.35Å; L474-Y476 PolarHBondContact O-N 2.72Å; L474-Y477 PolarHBondContact O-N 2.86Å; L474-Y478 HydrophobicContact CB-CD2 4.39Å; L474-Y478 HydrophobicContact CD2-CD2 3.94Å; L474-Y478 HydrophobicContact CD2-CE2 3.62Å; L474-Y478 WeakPolarHBondContact O-CB 3.26Å; L474-Y478 PolarHBondContact O-N 2.87Å; L474-L502 HydrophobicContact CD1-CD2 3.9Å; L474-L502 HydrophobicContact CD1-CG 4.22Å; L474-L503 HydrophobicContact CB-CD2 3.74Å; L474-L503 HydrophobicContact CD1-CD2 4.47Å; L474-L506 HydrophobicContact CD1-CD1 3.46Å; L474-L506 VanDerWaalsContact CD1-CD1 3.46Å
475	F	76.2	Confident	78.1	Confident	4 Å²	4	61 Å²	61	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-43.5	174.8	-172.1	-83.2	0	0	0	111.3	Y471 Y479 Y480 L800	Y471-F475 VanDerWaalsContact O-CB 3.3Å; Y471-F475 WeakPolarHBondContact O-CB 3.05Å; Y471-F475 PolarHBondContact O-N 3.25Å; F475-Y479 HydrophobicContact CD2-CG 4.48Å; F475-Y479 AromaticContact CE1-CD1 3.7Å; F475-Y479 HydrophobicContact CE1-CD1 3.7Å; F475-Y479 HydrophobicContact CE1-CE1 4.37Å; F475-Y479 HydrophobicContact CE1-CG 4.45Å; F475-Y479 AromaticContact CE2-CD1 3.7Å; F475-Y479 HydrophobicContact CE2-CD1 3.7Å; F475-Y479 HydrophobicContact CE2-CE1 4.18Å; F475-Y479 AromaticContact CE2-CG 3.94Å; F475-Y479 HydrophobicContact CE2-CG 3.94Å; F475-Y479 AromaticContact CZ-CD1 3.2Å; F475-Y479 HydrophobicContact CZ-CD1 3.2Å; F475-Y479 AromaticContact CZ-CE1 3.6Å; F475-Y479 HydrophobicContact CZ-CE1 3.6Å; F475-Y479 AromaticContact CZ-CG 3.91Å; F475-Y479 HydrophobicContact CZ-CG 3.91Å; F475-Y479 WeakPolarHBondContact O-CA 3.31Å; F475-Y479 VanDerWaalsContact O-CB 3.29Å; F475-Y479 WeakPolarHBondContact O-CB 3.33Å; F475-Y479 PolarHBondContact O-N 3.04Å; F475-Y480 PolarHBondContact O-N 3.19Å; F475-L800 HydrophobicContact CD1-CD2 3.84Å; F475-L800 HydrophobicContact CD1-CG 4.41Å; F475-L800 HydrophobicContact CE1-CB 4.06Å; F475-L800 HydrophobicContact CE1-CD2 3.73Å; F475-L800 HydrophobicContact CE1-CG 3.78Å
476	Y	79.6	Confident	76.1	Confident	132 Å²	132	66.6 Å²	66.6	52%	0.518	32%	0.321	S	S	.	.	I	π-helix	trans	-62.2	-45.3	176.3	-178.4	-97.4	0	0	0	112.4	M472 S473 L474 Y480 Y481	M472-Y476 VanDerWaalsContact O-CB 3.29Å; M472-Y476 WeakPolarHBondContact O-CB 3.29Å; M472-Y476 PolarHBondContact O-N 3.42Å; S473-Y476 PolarHBondContact O-N 3.38Å; L474-Y476 VanDerWaalsContact C-N 3.35Å; L474-Y476 PolarHBondContact O-N 2.72Å; Y476-Y480 AromaticContact CD2-CD1 3.66Å; Y476-Y480 HydrophobicContact CD2-CD1 3.66Å; Y476-Y480 HydrophobicContact CD2-CE1 4.35Å; Y476-Y480 HydrophobicContact CD2-CG 4.16Å; Y476-Y480 AromaticContact CE2-CD1 3.42Å; Y476-Y480 HydrophobicContact CE2-CD1 3.42Å; Y476-Y480 VanDerWaalsContact CE2-CD1 3.42Å; Y476-Y480 AromaticContact CE2-CE1 3.74Å; Y476-Y480 HydrophobicContact CE2-CE1 3.74Å; Y476-Y480 HydrophobicContact CE2-CG 4.34Å; Y476-Y480 WeakPolarHBondContact O-CB 3.36Å; Y476-Y480 PolarHBondContact O-N 3.11Å; Y476-Y481 PolarHBondContact O-N 3.47Å
477	Y	76.5	Confident	74.3	Confident	150 Å²	150	69.4 Å²	69.4	59%	0.588	34%	0.335	S	S	*	.	I	π-helix	trans	-74.8	-48.3	-175.7	-174.2	-99.6	0	0	0	113.5	S473 L474 P482	S473-Y477 WeakPolarHBondContact O-CB 3.27Å; S473-Y477 PolarHBondContact O-N 3.28Å; L474-Y477 PolarHBondContact O-N 2.86Å; Y477-P482 WeakPolarHBondContact O-CD 3.43Å
478	Y	70	Confident	72.4	Confident	56 Å²	56	74 Å²	74	22%	0.22	36%	0.359	C	S	.	.	I	π-helix	trans	-90.3	-24.1	-173.7	-70.2	-73.5	0	0	0	114.4	L474 Y499	L474-Y478 HydrophobicContact CB-CD2 4.39Å; L474-Y478 HydrophobicContact CD2-CD2 3.94Å; L474-Y478 HydrophobicContact CD2-CE2 3.62Å; L474-Y478 WeakPolarHBondContact O-CB 3.26Å; L474-Y478 PolarHBondContact O-N 2.87Å; Y478-Y499 AromaticContact CD1-CD2 3.87Å; Y478-Y499 HydrophobicContact CD1-CD2 3.87Å; Y478-Y499 AromaticContact CD1-CE2 3.92Å; Y478-Y499 HydrophobicContact CD1-CE2 3.92Å; Y478-Y499 AromaticContact CE1-CD2 3.77Å; Y478-Y499 HydrophobicContact CE1-CD2 3.77Å; Y478-Y499 HydrophobicContact CE1-CE1 4.49Å; Y478-Y499 AromaticContact CE1-CE2 3.4Å; Y478-Y499 HydrophobicContact CE1-CE2 3.4Å; Y478-Y499 HydrophobicContact CE1-CG 4.47Å; Y478-Y499 AromaticContact CE1-CZ 3.8Å; Y478-Y499 HydrophobicContact CG-CD2 4.32Å; Y478-Y499 AromaticContact CZ-CE2 3.83Å; Y478-Y499 AromaticContact CZ-CZ 3.79Å
479	Y	65.5	Low	70.8	Confident	68 Å²	68	79.4 Å²	79.4	27%	0.267	39%	0.388	S	S	.	.	I	π-helix	trans	-112.6	-46.1	-176.4	-171	-88.6	0	0	0	113.1	I325 F475 K483 L496	I325-Y479 WeakPolarHBondContact CD1-OH 3.14Å; F475-Y479 HydrophobicContact CD2-CG 4.48Å; F475-Y479 AromaticContact CE1-CD1 3.7Å; F475-Y479 HydrophobicContact CE1-CD1 3.7Å; F475-Y479 HydrophobicContact CE1-CE1 4.37Å; F475-Y479 HydrophobicContact CE1-CG 4.45Å; F475-Y479 AromaticContact CE2-CD1 3.7Å; F475-Y479 HydrophobicContact CE2-CD1 3.7Å; F475-Y479 HydrophobicContact CE2-CE1 4.18Å; F475-Y479 AromaticContact CE2-CG 3.94Å; F475-Y479 HydrophobicContact CE2-CG 3.94Å; F475-Y479 AromaticContact CZ-CD1 3.2Å; F475-Y479 HydrophobicContact CZ-CD1 3.2Å; F475-Y479 AromaticContact CZ-CE1 3.6Å; F475-Y479 HydrophobicContact CZ-CE1 3.6Å; F475-Y479 AromaticContact CZ-CG 3.91Å; F475-Y479 HydrophobicContact CZ-CG 3.91Å; F475-Y479 WeakPolarHBondContact O-CA 3.31Å; F475-Y479 VanDerWaalsContact O-CB 3.29Å; F475-Y479 WeakPolarHBondContact O-CB 3.33Å; F475-Y479 PolarHBondContact O-N 3.04Å; Y479-K483 HydrophobicContact CE1-CD 4.33Å; Y479-K483 VanDerWaalsContact O-CB 3.28Å; Y479-K483 WeakPolarHBondContact O-CB 3.45Å; Y479-L496 HydrophobicContact CD2-CD1 4.48Å; Y479-L496 HydrophobicContact CD2-CD2 4.06Å
480	Y	66.3	Low	69.2	Low	74 Å²	74	80.3 Å²	80.3	29%	0.29	40%	0.399	S	S	.	.	I	π-helix	trans	-77.5	-48.1	-177	-178.7	-93.1	0	0	0	113.4	F475 Y476 K483 P798	F475-Y480 PolarHBondContact O-N 3.19Å; Y476-Y480 AromaticContact CD2-CD1 3.66Å; Y476-Y480 HydrophobicContact CD2-CD1 3.66Å; Y476-Y480 HydrophobicContact CD2-CE1 4.35Å; Y476-Y480 HydrophobicContact CD2-CG 4.16Å; Y476-Y480 AromaticContact CE2-CD1 3.42Å; Y476-Y480 HydrophobicContact CE2-CD1 3.42Å; Y476-Y480 VanDerWaalsContact CE2-CD1 3.42Å; Y476-Y480 AromaticContact CE2-CE1 3.74Å; Y476-Y480 HydrophobicContact CE2-CE1 3.74Å; Y476-Y480 HydrophobicContact CE2-CG 4.34Å; Y476-Y480 WeakPolarHBondContact O-CB 3.36Å; Y476-Y480 PolarHBondContact O-N 3.11Å; Y480-K483 PolarHBondContact O-N 3.45Å; Y480-P798 HydrophobicContact CE2-CB 3.82Å
481	Y	67.4	Low	67.5	Low	132 Å²	132	83.8 Å²	83.8	52%	0.518	41%	0.41	S	S	.	.	H	α-helix	trans	-63	-41.9	-176.5	-175.5	-95.8	0	0	0	114.3	Y476 T484 T485	Y476-Y481 PolarHBondContact O-N 3.47Å; Y481-T484 PolarHBondContact O-OG1 2.75Å; Y481-T485 PolarHBondContact O-OG1 2.94Å
482	P	63.3	Low	65.9	Low	18 Å²	18	86.6 Å²	86.6	12%	0.117	43%	0.425	C	S	.	.	H	α-helix	trans	-73	-32.4	178.7	-19.8	35.5	0	0	0	113	Y477 T484 T485 M486 L492	Y477-P482 WeakPolarHBondContact O-CD 3.43Å; P482-T484 PolarHBondContact O-N 3Å; P482-T484 VanDerWaalsContact O-N 3.07Å; P482-T485 WeakPolarHBondContact CA-OG1 3.41Å; P482-T485 PolarHBondContact O-N 3.35Å; P482-T485 PolarHBondContact O-OG1 3.48Å; P482-M486 HydrophobicContact CB-CG 4.43Å; P482-M486 PolarHBondContact O-N 3.36Å; P482-L492 HydrophobicContact CB-CD1 3.47Å; P482-L492 VanDerWaalsContact CB-CD1 3.47Å; P482-L492 HydrophobicContact CB-CD2 3.99Å; P482-L492 HydrophobicContact CB-CG 4.4Å; P482-L492 HydrophobicContact CG-CD1 3.9Å
483	K	60	Low	64.5	Low	97 Å²	97	88.7 Å²	88.7	42%	0.422	43%	0.433	S	S	.	.	H	α-helix	trans	-59.6	-19.5	179.9	-176.6	178	177.4	-175.6	0	113.4	Y479 Y480	Y479-K483 HydrophobicContact CE1-CD 4.33Å; Y479-K483 VanDerWaalsContact O-CB 3.28Å; Y479-K483 WeakPolarHBondContact O-CB 3.45Å; Y480-K483 PolarHBondContact O-N 3.45Å
484	T	58.3	Low	63.1	Low	96 Å²	96	90.8 Å²	90.8	59%	0.589	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-3.2	176.8	59.6	0	0	0	0	114.3	Y481 P482	Y481-T484 PolarHBondContact O-OG1 2.75Å; P482-T484 PolarHBondContact O-N 3Å; P482-T484 VanDerWaalsContact O-N 3.07Å
485	T	56.9	Low	61.9	Low	70 Å²	70	95.1 Å²	95.1	43%	0.429	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	-20.9	-169.5	52.9	0	0	0	0	115.6	Y481 P482	Y481-T485 PolarHBondContact O-OG1 2.94Å; P482-T485 WeakPolarHBondContact CA-OG1 3.41Å; P482-T485 PolarHBondContact O-N 3.35Å; P482-T485 PolarHBondContact O-OG1 3.48Å
486	M	52.7	Low	61.1	Low	127 Å²	127	96.8 Å²	96.8	63%	0.626	47%	0.466	S	S	*	.			trans	-114.2	123.6	-172.8	-67.1	-63.3	173.2	0	0	113.1	P482	P482-M486 HydrophobicContact CB-CG 4.43Å; P482-M486 PolarHBondContact O-N 3.36Å
487	T	53.5	Low	60.2	Low	121 Å²	121	93.6 Å²	93.6	74%	0.742	46%	0.462	S	S	*	.			trans	-90.1	-9.9	178.8	53.7	0	0	0	0	114.3
488	N	52.2	Low	59.6	Low	106 Å²	106	88.5 Å²	88.5	57%	0.567	46%	0.456	S	S	*	.			trans	-102.5	98.6	-167.8	-66.8	1.9	0	0	0	111	I490	N488-I490 PolarHBondContact O-N 2.92Å
489	N	58	Low	59.5	Low	117 Å²	117	89.6 Å²	89.6	63%	0.626	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	6.7	-167.2	-62.9	-41.3	0	0	0	117.2	K493	N489-K493 WeakPolarHBondContact O-CD 3.42Å; N489-K493 WeakPolarHBondContact O-CG 3.2Å
490	I	59.6	Low	59.6	Low	113 Å²	113	88.3 Å²	88.3	58%	0.579	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-58.4	-168.5	-60.4	178	0	0	0	111.6	N488 L492 K493 I494	N488-I490 PolarHBondContact O-N 2.92Å; I490-L492 VanDerWaalsContact C-N 3.29Å; I490-L492 PolarHBondContact O-N 3.41Å; I490-K493 WeakPolarHBondContact O-CB 3.49Å; I490-K493 PolarHBondContact O-N 2.94Å; I490-K493 VanDerWaalsContact O-N 3.11Å; I490-I494 PolarHBondContact O-N 3.33Å
491	E	56.1	Low	59.9	Low	143 Å²	143	92.4 Å²	92.4	67%	0.668	47%	0.472	S	S	*	.	H	α-helix	trans	-59.9	-41	-179.7	-66.4	171.5	135.8	0	0	111.5	K493 I494 E495	E491-K493 VanDerWaalsContact C-N 3.28Å; E491-K493 PolarHBondContact O-N 3.31Å; E491-I494 PolarHBondContact O-N 3.46Å; E491-I494 VanDerWaalsContact O-N 3.15Å; E491-E495 PolarHBondContact O-N 3.26Å
492	L	55.8	Low	60.4	Low	60 Å²	60	88.8 Å²	88.8	31%	0.314	46%	0.462	S	S	.	.	H	α-helix	trans	-59.3	-34.3	177.1	-176.7	60.7	0	0	0	113.2	P482 I490 L496	P482-L492 HydrophobicContact CB-CD1 3.47Å; P482-L492 VanDerWaalsContact CB-CD1 3.47Å; P482-L492 HydrophobicContact CB-CD2 3.99Å; P482-L492 HydrophobicContact CB-CG 4.4Å; P482-L492 HydrophobicContact CG-CD1 3.9Å; I490-L492 VanDerWaalsContact C-N 3.29Å; I490-L492 PolarHBondContact O-N 3.41Å; L492-L496 WeakPolarHBondContact O-CB 3.44Å; L492-L496 PolarHBondContact O-N 2.96Å
493	K	54.8	Low	60.7	Low	71 Å²	71	88.2 Å²	88.2	31%	0.309	46%	0.458	S	S	.	.	H	α-helix	trans	-68	-41	177.1	-76.6	179.2	170.6	-168.9	0	112	N396 N489 I490 E491 S497	N396-K493 PolarHBondContact O-NZ 2.76Å; N489-K493 WeakPolarHBondContact O-CD 3.42Å; N489-K493 WeakPolarHBondContact O-CG 3.2Å; I490-K493 WeakPolarHBondContact O-CB 3.49Å; I490-K493 PolarHBondContact O-N 2.94Å; I490-K493 VanDerWaalsContact O-N 3.11Å; E491-K493 VanDerWaalsContact C-N 3.28Å; E491-K493 PolarHBondContact O-N 3.31Å; K493-S497 PolarHBondContact O-N 2.97Å; K493-S497 VanDerWaalsContact O-N 3.1Å
494	I	58.1	Low	61.3	Low	118 Å²	118	84.5 Å²	84.5	61%	0.605	44%	0.443	S	S	*	.	H	α-helix	trans	-68.1	-52.6	-173.2	-63	173.9	0	0	0	109.1	I490 E491 L496 S497	I490-I494 PolarHBondContact O-N 3.33Å; E491-I494 PolarHBondContact O-N 3.46Å; E491-I494 VanDerWaalsContact O-N 3.15Å; I494-L496 PolarHBondContact O-N 3.13Å; I494-S497 PolarHBondContact O-N 3.45Å; I494-S497 PolarHBondContact O-OG 3.26Å
495	E	58.8	Low	62.4	Low	124 Å²	124	84.1 Å²	84.1	58%	0.579	44%	0.436	S	S	*	.	H	α-helix	trans	-61.4	-44.9	177.6	-69.4	-113.1	142	0	0	112.1	E491 S497 G498 Y499	E491-E495 PolarHBondContact O-N 3.26Å; E495-S497 VanDerWaalsContact C-N 3.27Å; E495-S497 PolarHBondContact O-N 3.42Å; E495-G498 PolarHBondContact O-N 3.26Å; E495-G498 VanDerWaalsContact O-N 3.1Å; E495-Y499 WeakPolarHBondContact O-CD2 3.47Å
496	L	59.6	Low	63.6	Low	40 Å²	40	81.8 Å²	81.8	21%	0.209	42%	0.421	C	S	.	.	H	α-helix	trans	-63.3	-31.8	-178.7	-175	63.5	0	0	0	112.7	Y479 L492 I494 G498 Y499 L500	Y479-L496 HydrophobicContact CD2-CD1 4.48Å; Y479-L496 HydrophobicContact CD2-CD2 4.06Å; L492-L496 WeakPolarHBondContact O-CB 3.44Å; L492-L496 PolarHBondContact O-N 2.96Å; I494-L496 PolarHBondContact O-N 3.13Å; L496-G498 VanDerWaalsContact C-N 3.33Å; L496-G498 PolarHBondContact O-N 3.33Å; L496-Y499 PolarHBondContact O-N 2.98Å; L496-L500 PolarHBondContact O-N 3.41Å
497	S	61.7	Low	64.8	Low	64 Å²	64	76.1 Å²	76.1	45%	0.448	39%	0.393	S	S	.	.	H	α-helix	trans	-65.1	-35.8	175.5	74.4	0	0	0	0	112.4	K493 I494 E495 Y499 L500	K493-S497 PolarHBondContact O-N 2.97Å; K493-S497 VanDerWaalsContact O-N 3.1Å; I494-S497 PolarHBondContact O-N 3.45Å; I494-S497 PolarHBondContact O-OG 3.26Å; E495-S497 VanDerWaalsContact C-N 3.27Å; E495-S497 PolarHBondContact O-N 3.42Å; S497-Y499 VanDerWaalsContact C-N 3.26Å; S497-Y499 PolarHBondContact O-N 3.29Å; S497-L500 WeakPolarHBondContact O-CB 3.31Å; S497-L500 PolarHBondContact O-N 3.09Å
498	G	63.6	Low	66.1	Low	43 Å²	43	74.7 Å²	74.7	44%	0.443	38%	0.38	S	S	.	.	H	α-helix	trans	-64.9	-22.4	178.8	0	0	0	0	0	115	E495 L496 W501	E495-G498 PolarHBondContact O-N 3.26Å; E495-G498 VanDerWaalsContact O-N 3.1Å; L496-G498 VanDerWaalsContact C-N 3.33Å; L496-G498 PolarHBondContact O-N 3.33Å; G498-W501 PolarHBondContact O-NE1 3.49Å
499	Y	67.7	Low	67.7	Low	80 Å²	80	71.2 Å²	71.2	31%	0.314	36%	0.362	S	S	.	.	H	α-helix	trans	-103.6	-3.3	178	-57.2	-71.6	0	0	0	113.8	Y478 E495 L496 S497 W501 L502 L503	Y478-Y499 AromaticContact CD1-CD2 3.87Å; Y478-Y499 HydrophobicContact CD1-CD2 3.87Å; Y478-Y499 AromaticContact CD1-CE2 3.92Å; Y478-Y499 HydrophobicContact CD1-CE2 3.92Å; Y478-Y499 AromaticContact CE1-CD2 3.77Å; Y478-Y499 HydrophobicContact CE1-CD2 3.77Å; Y478-Y499 HydrophobicContact CE1-CE1 4.49Å; Y478-Y499 AromaticContact CE1-CE2 3.4Å; Y478-Y499 HydrophobicContact CE1-CE2 3.4Å; Y478-Y499 HydrophobicContact CE1-CG 4.47Å; Y478-Y499 AromaticContact CE1-CZ 3.8Å; Y478-Y499 HydrophobicContact CG-CD2 4.32Å; Y478-Y499 AromaticContact CZ-CE2 3.83Å; Y478-Y499 AromaticContact CZ-CZ 3.79Å; E495-Y499 WeakPolarHBondContact O-CD2 3.47Å; L496-Y499 PolarHBondContact O-N 2.98Å; S497-Y499 VanDerWaalsContact C-N 3.26Å; S497-Y499 PolarHBondContact O-N 3.29Å; Y499-W501 PolarHBondContact O-N 2.97Å; Y499-L502 PolarHBondContact O-N 3.49Å; Y499-L503 PolarHBondContact O-N 3.17Å
500	L	68.1	Low	69	Low	40 Å²	40	65.9 Å²	65.9	21%	0.209	33%	0.334	C	S	.	.	H	α-helix	trans	-58.6	-48.8	-175.9	176.1	55	0	0	0	112.4	I400 L496 S497 L502 L503 N504 P803	I400-L500 HydrophobicContact CG2-CD2 4.14Å; L496-L500 PolarHBondContact O-N 3.41Å; S497-L500 WeakPolarHBondContact O-CB 3.31Å; S497-L500 PolarHBondContact O-N 3.09Å; L500-L502 VanDerWaalsContact C-N 3.29Å; L500-L502 PolarHBondContact O-N 3.09Å; L500-L503 PolarHBondContact O-N 3.15Å; L500-N504 WeakPolarHBondContact O-CB 3.26Å; L500-N504 PolarHBondContact O-N 2.9Å; L500-N504 PolarHBondContact O-OD1 3.36Å; L500-P803 HydrophobicContact CD1-CB 3.59Å; L500-P803 HydrophobicContact CD1-CG 4.25Å
501	W	71.1	Confident	70.3	Confident	160 Å²	160	62.8 Å²	62.8	61%	0.606	33%	0.325	S	S	*	.	H	α-helix	trans	-58.8	-38.3	178.4	68.8	-75.7	0	0	0	112.8	G498 Y499 N504 I505	G498-W501 PolarHBondContact O-NE1 3.49Å; Y499-W501 PolarHBondContact O-N 2.97Å; W501-N504 PolarHBondContact O-N 3.33Å; W501-I505 HydrophobicContact CE3-CD1 3.71Å; W501-I505 HydrophobicContact CZ3-CD1 4.04Å; W501-I505 WeakPolarHBondContact O-CG1 3.5Å; W501-I505 PolarHBondContact O-N 3.44Å
502	L	77.9	Confident	71.9	Confident	57 Å²	57	59 Å²	59	30%	0.298	31%	0.309	S	S	.	.	H	α-helix	trans	-68.4	-44.3	176.8	178.4	61.1	0	0	0	111.2	L474 Y499 L500 N504 I505 L506	L474-L502 HydrophobicContact CD1-CD2 3.9Å; L474-L502 HydrophobicContact CD1-CG 4.22Å; Y499-L502 PolarHBondContact O-N 3.49Å; L500-L502 VanDerWaalsContact C-N 3.29Å; L500-L502 PolarHBondContact O-N 3.09Å; L502-N504 VanDerWaalsContact C-N 3.28Å; L502-N504 PolarHBondContact O-N 3.05Å; L502-I505 PolarHBondContact O-N 3.3Å; L502-L506 HydrophobicContact CD1-CD1 3.9Å; L502-L506 HydrophobicContact CD1-CG 4.15Å; L502-L506 HydrophobicContact CG-CD1 3.86Å; L502-L506 WeakPolarHBondContact O-CB 3.44Å; L502-L506 WeakPolarHBondContact O-CD1 3.13Å; L502-L506 WeakPolarHBondContact O-CG 3.07Å; L502-L506 PolarHBondContact O-N 2.99Å
503	L	71.2	Confident	73.6	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-35.6	174	-71.1	173.1	0	0	0	112	Y471 L474 Y499 L500 S507 P803	Y471-L503 HydrophobicContact CD2-CD2 4.33Å; Y471-L503 HydrophobicContact CE2-CD2 4.44Å; L474-L503 HydrophobicContact CB-CD2 3.74Å; L474-L503 HydrophobicContact CD1-CD2 4.47Å; Y499-L503 PolarHBondContact O-N 3.17Å; L500-L503 PolarHBondContact O-N 3.15Å; L503-S507 VanDerWaalsContact O-CB 3.23Å; L503-S507 WeakPolarHBondContact O-CB 3.43Å; L503-S507 PolarHBondContact O-N 3.47Å; L503-P803 HydrophobicContact CB-CG 3.84Å; L503-P803 HydrophobicContact CD1-CG 4.19Å
504	N	72.2	Confident	75.2	Confident	20 Å²	20	57.8 Å²	57.8	11%	0.107	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-46.5	175.2	-68.8	-13.1	0	0	0	112	L500 W501 L502 L506 S507 M508 L804	L500-N504 WeakPolarHBondContact O-CB 3.26Å; L500-N504 PolarHBondContact O-N 2.9Å; L500-N504 PolarHBondContact O-OD1 3.36Å; W501-N504 PolarHBondContact O-N 3.33Å; L502-N504 VanDerWaalsContact C-N 3.28Å; L502-N504 PolarHBondContact O-N 3.05Å; N504-L506 VanDerWaalsContact C-N 3.34Å; N504-L506 PolarHBondContact O-N 2.95Å; N504-S507 WeakPolarHBondContact O-CB 3.45Å; N504-S507 PolarHBondContact O-N 3.49Å; N504-S507 VanDerWaalsContact O-N 3.16Å; N504-M508 WeakPolarHBondContact O-CG 3.38Å; N504-M508 PolarHBondContact O-N 2.91Å; N504-L804 VanDerWaalsContact CG-O 3.29Å; N504-L804 PolarHBondContact ND2-O 3.42Å; N504-L804 PolarHBondContact OD1-N 3.05Å; N504-L804 PolarHBondContact OD1-O 3.27Å
505	I	79.9	Confident	76.7	Confident	87 Å²	87	54.1 Å²	54.1	45%	0.446	29%	0.286	S	S	.	.	H	α-helix	trans	-60.1	-47	175.3	-69.5	165.7	0	0	0	110.1	W501 L502 S507 M508 T509	W501-I505 HydrophobicContact CE3-CD1 3.71Å; W501-I505 HydrophobicContact CZ3-CD1 4.04Å; W501-I505 WeakPolarHBondContact O-CG1 3.5Å; W501-I505 PolarHBondContact O-N 3.44Å; L502-I505 PolarHBondContact O-N 3.3Å; I505-S507 PolarHBondContact O-N 3.46Å; I505-M508 PolarHBondContact O-N 3.09Å; I505-T509 WeakPolarHBondContact O-CG2 3.34Å; I505-T509 PolarHBondContact O-N 3.43Å; I505-T509 PolarHBondContact O-OG1 2.97Å
506	L	83.6	Confident	78	Confident	21 Å²	21	48.5 Å²	48.5	11%	0.11	26%	0.259	C	S	.	.	H	α-helix	trans	-70.1	-13.9	178.3	-65.9	170.1	0	0	0	114.1	S467 V470 Y471 L474 L502 N504 T509	S467-L506 VanDerWaalsContact OG-CD2 3.26Å; S467-L506 WeakPolarHBondContact OG-CD2 3.32Å; V470-L506 HydrophobicContact CG1-CD1 3.78Å; V470-L506 HydrophobicContact CG1-CD2 4.36Å; Y471-L506 HydrophobicContact CD2-CB 4.06Å; L474-L506 HydrophobicContact CD1-CD1 3.46Å; L474-L506 VanDerWaalsContact CD1-CD1 3.46Å; L502-L506 HydrophobicContact CD1-CD1 3.9Å; L502-L506 HydrophobicContact CD1-CG 4.15Å; L502-L506 HydrophobicContact CG-CD1 3.86Å; L502-L506 WeakPolarHBondContact O-CB 3.44Å; L502-L506 WeakPolarHBondContact O-CD1 3.13Å; L502-L506 WeakPolarHBondContact O-CG 3.07Å; L502-L506 PolarHBondContact O-N 2.99Å; N504-L506 VanDerWaalsContact C-N 3.34Å; N504-L506 PolarHBondContact O-N 2.95Å; L506-T509 VanDerWaalsContact C-OG1 3.32Å; L506-T509 WeakPolarHBondContact CA-OG1 3.45Å; L506-T509 PolarHBondContact O-OG1 3.15Å; L506-T509 VanDerWaalsContact O-OG1 3.13Å
507	S	78.3	Confident	79.2	Confident	8 Å²	8	51.3 Å²	51.3	6%	0.056	27%	0.273	C	S	.	.	H	α-helix	trans	-81.7	-51.3	167.7	172.1	0	0	0	0	110.5	L503 N504 I505 T509 Q510 Y802	L503-S507 VanDerWaalsContact O-CB 3.23Å; L503-S507 WeakPolarHBondContact O-CB 3.43Å; L503-S507 PolarHBondContact O-N 3.47Å; N504-S507 WeakPolarHBondContact O-CB 3.45Å; N504-S507 PolarHBondContact O-N 3.49Å; N504-S507 VanDerWaalsContact O-N 3.16Å; I505-S507 PolarHBondContact O-N 3.46Å; S507-T509 VanDerWaalsContact C-N 3.32Å; S507-T509 PolarHBondContact O-N 3.31Å; S507-Q510 WeakPolarHBondContact O-CB 3.34Å; S507-Q510 WeakPolarHBondContact O-CG 3.39Å; S507-Q510 PolarHBondContact O-N 3.03Å; S507-Y802 WeakPolarHBondContact OG-CD1 3.37Å; S507-Y802 WeakPolarHBondContact OG-CE1 3.22Å
508	M	80.4	Confident	80.2	Confident	92 Å²	92	53 Å²	53	45%	0.453	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-34.5	-179.1	-66.3	-57.1	102.7	0	0	113	N504 I505 Q510 A511 T806	N504-M508 WeakPolarHBondContact O-CG 3.38Å; N504-M508 PolarHBondContact O-N 2.91Å; I505-M508 PolarHBondContact O-N 3.09Å; M508-Q510 PolarHBondContact O-N 2.96Å; M508-Q510 VanDerWaalsContact O-N 3.11Å; M508-A511 VanDerWaalsContact O-CB 3.29Å; M508-A511 WeakPolarHBondContact O-CB 3.37Å; M508-A511 PolarHBondContact O-N 3.4Å; M508-T806 HydrophobicContact CG-CG2 3.9Å; M508-T806 HydrophobicContact SD-CG2 4.22Å
509	T	85.1	Confident	81	Confident	33 Å²	33	52 Å²	52	20%	0.202	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-60.7	-16.6	171.7	50.6	0	0	0	0	113.3	S467 I505 L506 S507 A511 L512	S467-T509 PolarHBondContact OG-OG1 3.29Å; I505-T509 WeakPolarHBondContact O-CG2 3.34Å; I505-T509 PolarHBondContact O-N 3.43Å; I505-T509 PolarHBondContact O-OG1 2.97Å; L506-T509 VanDerWaalsContact C-OG1 3.32Å; L506-T509 WeakPolarHBondContact CA-OG1 3.45Å; L506-T509 PolarHBondContact O-OG1 3.15Å; L506-T509 VanDerWaalsContact O-OG1 3.13Å; S507-T509 VanDerWaalsContact C-N 3.32Å; S507-T509 PolarHBondContact O-N 3.31Å; T509-A511 PolarHBondContact O-N 3.33Å; T509-L512 HydrophobicContact CG2-CD1 4.22Å; T509-L512 WeakPolarHBondContact O-CB 3.39Å; T509-L512 VanDerWaalsContact O-CG 3.25Å; T509-L512 WeakPolarHBondContact O-CG 3.36Å; T509-L512 PolarHBondContact O-N 2.65Å; T509-L512 VanDerWaalsContact O-N 3.09Å
510	Q	85	Confident	81.7	Confident	5 Å²	5	50.2 Å²	50.2	2%	0.023	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-69	-23.7	173.2	-56.6	-164	47.5	0	0	112.1	Y311 S507 M508 L512 R513	Y311-Q510 HydrophobicContact CD2-CB 4.16Å; Y311-Q510 HydrophobicContact CE2-CB 3.75Å; S507-Q510 WeakPolarHBondContact O-CB 3.34Å; S507-Q510 WeakPolarHBondContact O-CG 3.39Å; S507-Q510 PolarHBondContact O-N 3.03Å; M508-Q510 PolarHBondContact O-N 2.96Å; M508-Q510 VanDerWaalsContact O-N 3.11Å; Q510-L512 PolarHBondContact O-N 3.43Å; Q510-L512 VanDerWaalsContact O-N 3.16Å; Q510-R513 VanDerWaalsContact O-CB 3.31Å; Q510-R513 WeakPolarHBondContact O-CB 3.44Å; Q510-R513 WeakPolarHBondContact O-CD 3.28Å; Q510-R513 WeakPolarHBondContact O-CG 3.48Å; Q510-R513 PolarHBondContact O-N 2.9Å
511	A	86.8	Confident	82.1	Confident	47 Å²	47	49.1 Å²	49.1	39%	0.388	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-58.6	-27.4	169.4	0	0	0	0	0	112.3	Y311 M508 T509 R513 I514	Y311-A511 HydrophobicContact CE1-CB 4.19Å; M508-A511 VanDerWaalsContact O-CB 3.29Å; M508-A511 WeakPolarHBondContact O-CB 3.37Å; M508-A511 PolarHBondContact O-N 3.4Å; T509-A511 PolarHBondContact O-N 3.33Å; A511-R513 PolarHBondContact O-N 3.12Å; A511-I514 WeakPolarHBondContact O-CG2 3.31Å; A511-I514 PolarHBondContact O-N 3.24Å
512	L	90.2	Very high	82.2	Confident	64 Å²	64	43.7 Å²	43.7	34%	0.335	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-63.4	-9.5	176.7	-53.6	175.9	0	0	0	113.5	I464 T509 Q510 I514 L515	I464-L512 WeakPolarHBondContact CD1-O 3.4Å; I464-L512 HydrophobicContact CG1-CB 4.04Å; T509-L512 HydrophobicContact CG2-CD1 4.22Å; T509-L512 WeakPolarHBondContact O-CB 3.39Å; T509-L512 VanDerWaalsContact O-CG 3.25Å; T509-L512 WeakPolarHBondContact O-CG 3.36Å; T509-L512 PolarHBondContact O-N 2.65Å; T509-L512 VanDerWaalsContact O-N 3.09Å; Q510-L512 PolarHBondContact O-N 3.43Å; Q510-L512 VanDerWaalsContact O-N 3.16Å; L512-I514 PolarHBondContact O-N 3.43Å; L512-L515 HydrophobicContact CB-CD1 4.1Å; L512-L515 HydrophobicContact CB-CG 4.44Å; L512-L515 HydrophobicContact CD2-CD1 4.13Å; L512-L515 VanDerWaalsContact O-CB 3.25Å; L512-L515 WeakPolarHBondContact O-CB 3.26Å; L512-L515 WeakPolarHBondContact O-CG 3.24Å; L512-L515 PolarHBondContact O-N 3.06Å
513	R	91.5	Very high	82.1	Confident	5 Å²	5	44.5 Å²	44.5	2%	0.019	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-47.4	-33.1	167.4	-72.6	160.6	-174.5	-125.8	2.7	112.5	S307 V308 D428 I464 Q510 A511 L515 R516	S307-R513 PolarHBondContact O-NH1 3.43Å; V308-R513 HydrophobicContact CG2-CB 4.3Å; D428-R513 IonicContact OD1-CZ 2.76Å; D428-R513 IonicContact OD1-NH1 2.74Å; D428-R513 PolarHBondContact OD1-NH1 3.39Å; D428-R513 IonicContact OD1-NH2 2.97Å; D428-R513 PolarHBondContact OD1-NH2 2.89Å; D428-R513 IonicContact OD2-CZ 3.06Å; D428-R513 IonicContact OD2-NH1 2.81Å; D428-R513 IonicContact OD2-NH2 2.75Å; D428-R513 PolarHBondContact OD2-NH2 2.88Å; I464-R513 HydrophobicContact CG2-CG 4.1Å; Q510-R513 VanDerWaalsContact O-CB 3.31Å; Q510-R513 WeakPolarHBondContact O-CB 3.44Å; Q510-R513 WeakPolarHBondContact O-CD 3.28Å; Q510-R513 WeakPolarHBondContact O-CG 3.48Å; Q510-R513 PolarHBondContact O-N 2.9Å; A511-R513 PolarHBondContact O-N 3.12Å; R513-L515 PolarHBondContact O-N 3.18Å; R513-R516 VanDerWaalsContact O-CB 3.23Å; R513-R516 WeakPolarHBondContact O-CB 3.45Å; R513-R516 VanDerWaalsContact O-CG 3.32Å; R513-R516 WeakPolarHBondContact O-CG 3.48Å; R513-R516 PolarHBondContact O-N 2.99Å
514	I	88.4	Confident	82.5	Confident	100 Å²	100	46.3 Å²	46.3	51%	0.513	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-58.6	-30.8	176.6	-161.9	169.6	0	0	0	112.5	A511 L512 R516 I517	A511-I514 WeakPolarHBondContact O-CG2 3.31Å; A511-I514 PolarHBondContact O-N 3.24Å; L512-I514 PolarHBondContact O-N 3.43Å; I514-R516 PolarHBondContact O-N 3.12Å; I514-R516 VanDerWaalsContact O-N 3.1Å; I514-I517 VanDerWaalsContact O-CB 3.23Å; I514-I517 WeakPolarHBondContact O-CB 3.23Å; I514-I517 WeakPolarHBondContact O-CG2 3.38Å; I514-I517 PolarHBondContact O-N 3.04Å
515	L	89.2	Confident	82.7	Confident	41 Å²	41	49.5 Å²	49.5	22%	0.215	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-62.8	-18	176.9	-55.4	-179.8	0	0	0	113	F460 I464 L512 R513 I517 F518	F460-L515 HydrophobicContact CD1-CD1 3.76Å; F460-L515 HydrophobicContact CE1-CD1 3.9Å; F460-L515 HydrophobicContact CG-CB 4.41Å; F460-L515 HydrophobicContact CG-CD1 4.19Å; F460-L515 HydrophobicContact CZ-CD1 4.43Å; I464-L515 HydrophobicContact CD1-CB 4.34Å; L512-L515 HydrophobicContact CB-CD1 4.1Å; L512-L515 HydrophobicContact CB-CG 4.44Å; L512-L515 HydrophobicContact CD2-CD1 4.13Å; L512-L515 VanDerWaalsContact O-CB 3.25Å; L512-L515 WeakPolarHBondContact O-CB 3.26Å; L512-L515 WeakPolarHBondContact O-CG 3.24Å; L512-L515 PolarHBondContact O-N 3.06Å; R513-L515 PolarHBondContact O-N 3.18Å; L515-I517 PolarHBondContact O-N 3.02Å; L515-I517 VanDerWaalsContact O-N 3.12Å; L515-F518 HydrophobicContact CB-CD2 4.29Å; L515-F518 HydrophobicContact CD2-CD2 4.22Å; L515-F518 HydrophobicContact CD2-CE2 3.8Å; L515-F518 WeakPolarHBondContact O-CB 3.14Å; L515-F518 WeakPolarHBondContact O-CD2 3.26Å; L515-F518 PolarHBondContact O-N 3.35Å
516	R	87.5	Confident	82.6	Confident	6 Å²	6	46.9 Å²	46.9	2%	0.023	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-56.8	-24.4	169.7	-66.3	174.9	173.7	164.1	-1.4	111.6	M304 S307 N432 I464 R513 I514 F518 K519	M304-R516 HydrophobicContact CG-CB 4.23Å; M304-R516 HydrophobicContact SD-CB 4.36Å; S307-R516 PolarHBondContact OG-NH1 2.95Å; N432-R516 PolarHBondContact OD1-NH1 2.87Å; N432-R516 PolarHBondContact OD1-NH2 3.1Å; I464-R516 HydrophobicContact CD1-CG 4.11Å; R513-R516 VanDerWaalsContact O-CB 3.23Å; R513-R516 WeakPolarHBondContact O-CB 3.45Å; R513-R516 VanDerWaalsContact O-CG 3.32Å; R513-R516 WeakPolarHBondContact O-CG 3.48Å; R513-R516 PolarHBondContact O-N 2.99Å; I514-R516 PolarHBondContact O-N 3.12Å; I514-R516 VanDerWaalsContact O-N 3.1Å; R516-F518 PolarHBondContact O-N 2.92Å; R516-K519 VanDerWaalsContact O-CB 3.26Å; R516-K519 WeakPolarHBondContact O-CB 3.32Å; R516-K519 PolarHBondContact O-N 3.3Å
517	I	84.7	Confident	82.6	Confident	99 Å²	99	49 Å²	49	51%	0.508	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-58.1	-27	173.8	-153.5	171.6	0	0	0	112.9	I514 L515 K519 I520	I514-I517 VanDerWaalsContact O-CB 3.23Å; I514-I517 WeakPolarHBondContact O-CB 3.23Å; I514-I517 WeakPolarHBondContact O-CG2 3.38Å; I514-I517 PolarHBondContact O-N 3.04Å; L515-I517 PolarHBondContact O-N 3.02Å; L515-I517 VanDerWaalsContact O-N 3.12Å; I517-K519 PolarHBondContact O-N 3.11Å; I517-K519 VanDerWaalsContact O-N 3.12Å; I517-I520 HydrophobicContact CD1-CD1 4.43Å; I517-I520 HydrophobicContact CG1-CD1 3.56Å; I517-I520 HydrophobicContact CG1-CG1 4.35Å; I517-I520 VanDerWaalsContact O-CB 3.3Å; I517-I520 WeakPolarHBondContact O-CB 3.37Å; I517-I520 VanDerWaalsContact O-CG1 3.25Å; I517-I520 WeakPolarHBondContact O-CG1 3.25Å; I517-I520 PolarHBondContact O-N 3.3Å
518	F	82.2	Confident	82.6	Confident	99 Å²	99	52 Å²	52	43%	0.434	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-64.8	-15.1	175	-71.7	-67.5	0	0	0	113.1	L515 R516 I520 S521	L515-F518 HydrophobicContact CB-CD2 4.29Å; L515-F518 HydrophobicContact CD2-CD2 4.22Å; L515-F518 HydrophobicContact CD2-CE2 3.8Å; L515-F518 WeakPolarHBondContact O-CB 3.14Å; L515-F518 WeakPolarHBondContact O-CD2 3.26Å; L515-F518 PolarHBondContact O-N 3.35Å; R516-F518 PolarHBondContact O-N 2.92Å; F518-I520 PolarHBondContact O-N 3.04Å; F518-S521 VanDerWaalsContact O-CB 3.27Å; F518-S521 WeakPolarHBondContact O-CB 3.16Å; F518-S521 PolarHBondContact O-N 3.46Å; F518-S521 PolarHBondContact O-OG 3.27Å
519	K	81.1	Confident	82.6	Confident	24 Å²	24	47.9 Å²	47.9	10%	0.104	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-60.4	-26.4	166.9	-72.6	178	168.7	176	0	112.7	M304 E438 V457 D461 R516 I517 S521 K522	M304-K519 HydrophobicContact CE-CD 3.43Å; M304-K519 VanDerWaalsContact CE-CD 3.43Å; M304-K519 HydrophobicContact SD-CB 4.37Å; M304-K519 HydrophobicContact SD-CD 3.64Å; E438-K519 IonicContact OE1-NZ 2.74Å; E438-K519 IonicContact OE2-NZ 3.38Å; V457-K519 HydrophobicContact CG1-CG 3.65Å; D461-K519 WeakPolarHBondContact OD1-CE 3.38Å; D461-K519 IonicContact OD1-NZ 3.63Å; D461-K519 PolarHBondContact OD1-NZ 3.5Å; D461-K519 WeakPolarHBondContact OD2-CE 3.31Å; D461-K519 IonicContact OD2-NZ 3.64Å; D461-K519 PolarHBondContact OD2-NZ 2.94Å; R516-K519 VanDerWaalsContact O-CB 3.26Å; R516-K519 WeakPolarHBondContact O-CB 3.32Å; R516-K519 PolarHBondContact O-N 3.3Å; I517-K519 PolarHBondContact O-N 3.11Å; I517-K519 VanDerWaalsContact O-N 3.12Å; K519-S521 PolarHBondContact O-N 3.42Å; K519-K522 WeakPolarHBondContact O-CB 3.41Å; K519-K522 PolarHBondContact O-N 2.93Å
520	I	81.4	Confident	82.7	Confident	41 Å²	41	50.1 Å²	50.1	21%	0.21	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-24.5	174.6	-54.6	176.4	0	0	0	111	L301 I517 F518 K522 I523 S524 L527	L301-I520 HydrophobicContact CD1-CD1 3.54Å; L301-I520 HydrophobicContact CD1-CG1 3.69Å; L301-I520 HydrophobicContact CD2-CD1 4.38Å; L301-I520 HydrophobicContact CD2-CG1 4.42Å; I517-I520 HydrophobicContact CD1-CD1 4.43Å; I517-I520 HydrophobicContact CG1-CD1 3.56Å; I517-I520 HydrophobicContact CG1-CG1 4.35Å; I517-I520 VanDerWaalsContact O-CB 3.3Å; I517-I520 WeakPolarHBondContact O-CB 3.37Å; I517-I520 VanDerWaalsContact O-CG1 3.25Å; I517-I520 WeakPolarHBondContact O-CG1 3.25Å; I517-I520 PolarHBondContact O-N 3.3Å; F518-I520 PolarHBondContact O-N 3.04Å; I520-K522 PolarHBondContact O-N 3.2Å; I520-I523 CarbonylContact O-C 3.57Å; I520-I523 WeakPolarHBondContact O-CA 3.21Å; I520-I523 WeakPolarHBondContact O-CB 3.46Å; I520-I523 PolarHBondContact O-N 3.26Å; I520-S524 PolarHBondContact O-N 3.46Å; I520-L527 HydrophobicContact CB-CD1 3.96Å; I520-L527 HydrophobicContact CG2-CD1 3.74Å
521	S	76.1	Confident	82.6	Confident	18 Å²	18	53 Å²	53	13%	0.126	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-26.2	171.6	71.7	0	0	0	0	113.3	F518 K519 I523 R528	F518-S521 VanDerWaalsContact O-CB 3.27Å; F518-S521 WeakPolarHBondContact O-CB 3.16Å; F518-S521 PolarHBondContact O-N 3.46Å; F518-S521 PolarHBondContact O-OG 3.27Å; K519-S521 PolarHBondContact O-N 3.42Å; S521-I523 VanDerWaalsContact C-N 3.3Å; S521-I523 PolarHBondContact O-N 2.94Å; S521-R528 WeakPolarHBondContact O-CG 3.34Å; S521-R528 PolarHBondContact O-NE 2.68Å
522	K	74.5	Confident	82.4	Confident	45 Å²	45	52.9 Å²	52.9	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-70.4	-26.9	172.3	-65.3	-159.3	178	-166.6	0	112.4	D285 K519 I520 R528	D285-K522 IonicContact OD1-NZ 2.71Å; D285-K522 PolarHBondContact OD1-NZ 3.28Å; D285-K522 IonicContact OD2-NZ 3.73Å; D285-K522 PolarHBondContact OD2-NZ 2.92Å; K519-K522 WeakPolarHBondContact O-CB 3.41Å; K519-K522 PolarHBondContact O-N 2.93Å; I520-K522 PolarHBondContact O-N 3.2Å; K522-R528 PolarHBondContact O-NH2 3.04Å
523	I	75.8	Confident	82.3	Confident	75 Å²	75	49.9 Å²	49.9	39%	0.385	25%	0.254	S	S	.	.	H	α-helix	trans	-91	-54	-179.4	-56.1	167.7	0	0	0	111.3	P287 A297 I520 S521 R525	P287-I523 HydrophobicContact CB-CG1 4.17Å; P287-I523 HydrophobicContact CG-CB 4.4Å; P287-I523 HydrophobicContact CG-CG1 3.84Å; A297-I523 HydrophobicContact CB-CD1 4.22Å; I520-I523 CarbonylContact O-C 3.57Å; I520-I523 WeakPolarHBondContact O-CA 3.21Å; I520-I523 WeakPolarHBondContact O-CB 3.46Å; I520-I523 PolarHBondContact O-N 3.26Å; S521-I523 VanDerWaalsContact C-N 3.3Å; S521-I523 PolarHBondContact O-N 2.94Å; I523-R525 PolarHBondContact O-N 3.02Å
524	S	79.3	Confident	82.2	Confident	42 Å²	42	52.9 Å²	52.9	29%	0.294	27%	0.272	S	S	.	.			trans	-83.2	112.2	-173.7	178.7	0	0	0	0	112	I520 G526 L527 R528	I520-S524 PolarHBondContact O-N 3.46Å; S524-G526 PolarHBondContact O-N 2.68Å; S524-G526 PolarHBondContact OG-N 2.89Å; S524-L527 PolarHBondContact O-N 3.47Å; S524-L527 PolarHBondContact OG-N 2.94Å; S524-R528 PolarHBondContact O-N 3.47Å
525	R	75	Confident	82.1	Confident	87 Å²	87	54.9 Å²	54.9	33%	0.328	28%	0.277	S	S	.	.	H	α-helix	trans	-56.4	-34.6	168.9	-67.5	-174.6	178.2	-173.8	0.7	111.5	I523 R528 V529 M632 L636 D639	I523-R525 PolarHBondContact O-N 3.02Å; R525-R528 PolarHBondContact O-N 3.27Å; R525-V529 PolarHBondContact O-N 3.3Å; R525-V529 VanDerWaalsContact O-N 3.09Å; R525-M632 HydrophobicContact CB-SD 3.88Å; R525-L636 VanDerWaalsContact NH1-CD2 3.3Å; R525-D639 IonicContact CZ-OD2 3.34Å; R525-D639 IonicContact NH1-OD2 3.2Å; R525-D639 PolarHBondContact NH1-OD2 3.36Å; R525-D639 IonicContact NH2-OD2 2.69Å; R525-D639 PolarHBondContact NH2-OD2 3.47Å
526	G	79.7	Confident	82	Confident	33 Å²	33	56.4 Å²	56.4	34%	0.34	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-41.8	178.8	0	0	0	0	0	113.7	S524 R528 V529 L530	S524-G526 PolarHBondContact O-N 2.68Å; S524-G526 PolarHBondContact OG-N 2.89Å; G526-R528 VanDerWaalsContact C-N 3.31Å; G526-R528 PolarHBondContact O-N 2.87Å; G526-V529 WeakPolarHBondContact O-CB 3.39Å; G526-V529 PolarHBondContact O-N 3.26Å; G526-L530 PolarHBondContact O-N 2.66Å
527	L	82.8	Confident	82.2	Confident	65 Å²	65	56.1 Å²	56.1	34%	0.34	28%	0.281	S	S	.	.	H	α-helix	trans	-67.3	-31.1	175.3	-69.7	179.3	0	0	0	112.3	I520 S524 L530 I531	I520-L527 HydrophobicContact CB-CD1 3.96Å; I520-L527 HydrophobicContact CG2-CD1 3.74Å; S524-L527 PolarHBondContact O-N 3.47Å; S524-L527 PolarHBondContact OG-N 2.94Å; L527-L530 HydrophobicContact CD2-CD2 4.32Å; L527-L530 PolarHBondContact O-N 2.67Å; L527-I531 WeakPolarHBondContact O-CB 3.4Å; L527-I531 WeakPolarHBondContact O-CD1 3.23Å; L527-I531 VanDerWaalsContact O-CG1 3.25Å; L527-I531 WeakPolarHBondContact O-CG1 3.11Å; L527-I531 PolarHBondContact O-N 3.48Å
528	R	77.6	Confident	82.5	Confident	72 Å²	72	55.5 Å²	55.5	27%	0.272	28%	0.278	S	S	.	.	H	α-helix	trans	-65.8	-41.4	171.8	-59.6	-173.6	-173.4	-153.8	6.1	111.9	D255 S521 K522 S524 R525 G526 I531 L532	D255-R528 PolarHBondContact O-NH1 3.41Å; S521-R528 WeakPolarHBondContact O-CG 3.34Å; S521-R528 PolarHBondContact O-NE 2.68Å; K522-R528 PolarHBondContact O-NH2 3.04Å; S524-R528 PolarHBondContact O-N 3.47Å; R525-R528 PolarHBondContact O-N 3.27Å; G526-R528 VanDerWaalsContact C-N 3.31Å; G526-R528 PolarHBondContact O-N 2.87Å; R528-I531 PolarHBondContact O-N 3.48Å; R528-L532 WeakPolarHBondContact O-CB 3.41Å; R528-L532 PolarHBondContact O-N 3.36Å
529	V	81.3	Confident	83	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.024	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-44.7	173.2	162.4	0	0	0	0	111	L252 R525 G526 L532 T533 F625 M632	L252-V529 HydrophobicContact CD2-CG2 4.36Å; R525-V529 PolarHBondContact O-N 3.3Å; R525-V529 VanDerWaalsContact O-N 3.09Å; G526-V529 WeakPolarHBondContact O-CB 3.39Å; G526-V529 PolarHBondContact O-N 3.26Å; V529-L532 PolarHBondContact O-N 3.07Å; V529-T533 WeakPolarHBondContact O-CB 3.4Å; V529-T533 PolarHBondContact O-N 3.09Å; V529-T533 PolarHBondContact O-OG1 3.42Å; V529-F625 HydrophobicContact CG1-CE2 4.26Å; V529-M632 HydrophobicContact CG2-CB 3.78Å; V529-M632 HydrophobicContact CG2-CG 4.08Å; V529-M632 HydrophobicContact CG2-SD 3.79Å
530	L	86.4	Confident	83.5	Confident	80 Å²	80	55.5 Å²	55.5	42%	0.419	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-49	175.9	-175.9	63.6	0	0	0	111.6	G526 L527 L532 T533 V534 F625	G526-L530 PolarHBondContact O-N 2.66Å; L527-L530 HydrophobicContact CD2-CD2 4.32Å; L527-L530 PolarHBondContact O-N 2.67Å; L530-L532 VanDerWaalsContact C-N 3.33Å; L530-L532 PolarHBondContact O-N 3.47Å; L530-T533 WeakPolarHBondContact O-CB 3.25Å; L530-T533 PolarHBondContact O-N 2.87Å; L530-V534 HydrophobicContact CD1-CG2 4.49Å; L530-V534 WeakPolarHBondContact O-CG2 3.23Å; L530-V534 PolarHBondContact O-N 3.29Å; L530-F625 HydrophobicContact CD1-CD2 4.36Å; L530-F625 HydrophobicContact CD1-CE2 4.28Å
531	I	84.1	Confident	84	Confident	66 Å²	66	56.6 Å²	56.6	34%	0.338	29%	0.293	S	S	.	.	H	α-helix	trans	-60.8	-40.2	178.2	-69.6	164	0	0	0	111.5	L527 R528 K535	L527-I531 WeakPolarHBondContact O-CB 3.4Å; L527-I531 WeakPolarHBondContact O-CD1 3.23Å; L527-I531 VanDerWaalsContact O-CG1 3.25Å; L527-I531 WeakPolarHBondContact O-CG1 3.11Å; L527-I531 PolarHBondContact O-N 3.48Å; R528-I531 PolarHBondContact O-N 3.48Å; I531-K535 HydrophobicContact CG2-CD 4.48Å; I531-K535 WeakPolarHBondContact O-CB 3.25Å; I531-K535 WeakPolarHBondContact O-CG 3.3Å; I531-K535 PolarHBondContact O-N 3.46Å
532	L	82	Confident	84.8	Confident	44 Å²	44	60.3 Å²	60.3	23%	0.23	32%	0.315	C	S	.	.	H	α-helix	trans	-70	-37.9	176	-174.6	61.9	0	0	0	112.1	L252 R528 V529 L530 K535 K536 Y628	L252-L532 HydrophobicContact CD2-CD2 3.47Å; L252-L532 VanDerWaalsContact CD2-CD2 3.47Å; L252-L532 HydrophobicContact CG-CD2 3.58Å; R528-L532 WeakPolarHBondContact O-CB 3.41Å; R528-L532 PolarHBondContact O-N 3.36Å; V529-L532 PolarHBondContact O-N 3.07Å; L530-L532 VanDerWaalsContact C-N 3.33Å; L530-L532 PolarHBondContact O-N 3.47Å; L532-K535 PolarHBondContact O-N 2.93Å; L532-K536 PolarHBondContact O-N 3.49Å; L532-Y628 HydrophobicContact CD2-CD1 3.82Å; L532-Y628 HydrophobicContact CD2-CE1 3.5Å; L532-Y628 HydrophobicContact CG-CD1 4.25Å; L532-Y628 HydrophobicContact CG-CE1 3.81Å
533	T	87.9	Confident	85.7	Confident	1 Å²	1	63 Å²	63	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-60.6	-50.1	175	-58.3	0	0	0	0	110.6	V529 L530 K535 K536 S537 N624 F625 Y628	V529-T533 WeakPolarHBondContact O-CB 3.4Å; V529-T533 PolarHBondContact O-N 3.09Å; V529-T533 PolarHBondContact O-OG1 3.42Å; L530-T533 WeakPolarHBondContact O-CB 3.25Å; L530-T533 PolarHBondContact O-N 2.87Å; T533-K535 VanDerWaalsContact C-N 3.33Å; T533-K535 PolarHBondContact O-N 2.84Å; T533-K536 PolarHBondContact O-N 2.65Å; T533-S537 WeakPolarHBondContact O-CB 3.47Å; T533-S537 PolarHBondContact O-N 3Å; T533-S537 PolarHBondContact O-OG 3.39Å; T533-N624 HydrophobicContact CG2-CB 4.05Å; T533-F625 HydrophobicContact CG2-CB 3.83Å; T533-F625 HydrophobicContact CG2-CD2 4.33Å; T533-Y628 HydrophobicContact CG2-CD2 4.46Å
534	V	88.7	Confident	86.5	Confident	68 Å²	68	61.1 Å²	61.1	41%	0.412	32%	0.321	S	S	.	.	H	α-helix	trans	-58.5	-46	175.8	171.8	0	0	0	0	110.1	L530 K536 S537 I538 L541	L530-V534 HydrophobicContact CD1-CG2 4.49Å; L530-V534 WeakPolarHBondContact O-CG2 3.23Å; L530-V534 PolarHBondContact O-N 3.29Å; V534-K536 PolarHBondContact O-N 3.31Å; V534-S537 CarbonylContact O-C 3.56Å; V534-S537 PolarHBondContact O-N 3.21Å; V534-S537 VanDerWaalsContact O-N 3.15Å; V534-I538 WeakPolarHBondContact O-CG1 3.43Å; V534-I538 PolarHBondContact O-N 2.98Å; V534-I538 VanDerWaalsContact O-N 3.15Å; V534-L541 HydrophobicContact CG1-CD1 4.24Å
535	K	87.1	Confident	87.2	Confident	142 Å²	142	60.9 Å²	60.9	62%	0.617	33%	0.326	S	S	*	.	H	α-helix	trans	-60.9	-37	176.4	-80.2	-174.4	175.3	-166.5	0	114.3	I531 L532 T533 I538	I531-K535 HydrophobicContact CG2-CD 4.48Å; I531-K535 WeakPolarHBondContact O-CB 3.25Å; I531-K535 WeakPolarHBondContact O-CG 3.3Å; I531-K535 PolarHBondContact O-N 3.46Å; L532-K535 PolarHBondContact O-N 2.93Å; T533-K535 VanDerWaalsContact C-N 3.33Å; T533-K535 PolarHBondContact O-N 2.84Å; K535-I538 WeakPolarHBondContact O-CG1 3.09Å
536	K	87.1	Confident	88.1	Confident	73 Å²	73	62 Å²	62	32%	0.317	33%	0.333	S	S	.	.	H	α-helix	trans	-74	-33.8	174.9	174.1	57.3	-167.9	138.5	0	111.6	L532 T533 V534 I538 Y628 Y883	L532-K536 PolarHBondContact O-N 3.49Å; T533-K536 PolarHBondContact O-N 2.65Å; V534-K536 PolarHBondContact O-N 3.31Å; K536-I538 VanDerWaalsContact C-N 3.27Å; K536-I538 PolarHBondContact O-N 3.29Å; K536-Y628 HydrophobicContact CB-CE2 3.95Å; K536-Y628 WeakPolarHBondContact CB-OH 3.26Å; K536-Y628 HydrophobicContact CG-CE2 4.11Å; K536-Y628 WeakPolarHBondContact CG-OH 3.38Å; K536-Y883 PolarHBondContact NZ-OH 3.42Å
537	S	90.8	Very high	88.8	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	11.4	-179.3	-45.3	0	0	0	0	113.8	T533 V534 E540 L541 N624	T533-S537 WeakPolarHBondContact O-CB 3.47Å; T533-S537 PolarHBondContact O-N 3Å; T533-S537 PolarHBondContact O-OG 3.39Å; V534-S537 CarbonylContact O-C 3.56Å; V534-S537 PolarHBondContact O-N 3.21Å; V534-S537 VanDerWaalsContact O-N 3.15Å; S537-E540 WeakPolarHBondContact CA-OE2 2.95Å; S537-E540 PolarHBondContact O-N 3.39Å; S537-L541 WeakPolarHBondContact O-CB 3.46Å; S537-L541 VanDerWaalsContact O-CG 3.23Å; S537-L541 WeakPolarHBondContact O-CG 3.34Å; S537-L541 PolarHBondContact O-N 3.39Å; S537-N624 PolarHBondContact OG-ND2 3.09Å
538	I	92.1	Very high	89.4	Confident	87 Å²	87	62 Å²	62	45%	0.446	33%	0.325	S	S	.	.	H	α-helix	trans	-57.1	-52.3	-179.7	-74.1	175.6	0	0	0	112.3	V534 K535 K536 E540 L541 V542	V534-I538 WeakPolarHBondContact O-CG1 3.43Å; V534-I538 PolarHBondContact O-N 2.98Å; V534-I538 VanDerWaalsContact O-N 3.15Å; K535-I538 WeakPolarHBondContact O-CG1 3.09Å; K536-I538 VanDerWaalsContact C-N 3.27Å; K536-I538 PolarHBondContact O-N 3.29Å; I538-E540 VanDerWaalsContact C-N 3.27Å; I538-E540 PolarHBondContact O-N 2.9Å; I538-L541 PolarHBondContact O-N 2.89Å; I538-V542 HydrophobicContact CG2-CG2 4.1Å; I538-V542 WeakPolarHBondContact O-CB 3.38Å; I538-V542 VanDerWaalsContact O-CG2 3.28Å; I538-V542 WeakPolarHBondContact O-CG2 3.4Å; I538-V542 PolarHBondContact O-N 3.2Å
539	P	92.1	Very high	90.2	Very high	82 Å²	82	62.8 Å²	62.8	53%	0.532	33%	0.333	S	S	.	.	H	α-helix	trans	-64.4	-32.9	-177.4	20.4	-26.5	0	0	0	112.4	V542 L543	P539-V542 PolarHBondContact O-N 3.5Å; P539-L543 WeakPolarHBondContact O-CB 3.44Å; P539-L543 PolarHBondContact O-N 3.38Å
540	E	91.7	Very high	90.9	Very high	41 Å²	41	66.3 Å²	66.3	19%	0.192	35%	0.351	C	S	.	.	H	α-helix	trans	-71.1	-36.6	175.7	-52.4	98.5	126.8	0	0	112.3	S537 I538 L544 I620 N624	S537-E540 WeakPolarHBondContact CA-OE2 2.95Å; S537-E540 PolarHBondContact O-N 3.39Å; I538-E540 VanDerWaalsContact C-N 3.27Å; I538-E540 PolarHBondContact O-N 2.9Å; E540-L544 PolarHBondContact O-N 3.11Å; E540-I620 HydrophobicContact CB-CG2 4.28Å; E540-I620 HydrophobicContact CG-CG2 3.91Å; E540-N624 PolarHBondContact OE1-ND2 3.43Å
541	L	91.8	Very high	91.3	Very high	64 Å²	64	63 Å²	63	34%	0.335	34%	0.337	S	S	.	.	H	α-helix	trans	-72.4	-33.6	173.3	-72.6	168.3	0	0	0	112.7	V534 S537 I538 L544 G545 V621	V534-L541 HydrophobicContact CG1-CD1 4.24Å; S537-L541 WeakPolarHBondContact O-CB 3.46Å; S537-L541 VanDerWaalsContact O-CG 3.23Å; S537-L541 WeakPolarHBondContact O-CG 3.34Å; S537-L541 PolarHBondContact O-N 3.39Å; I538-L541 PolarHBondContact O-N 2.89Å; L541-L544 PolarHBondContact O-N 2.88Å; L541-G545 PolarHBondContact O-N 3.04Å; L541-V621 HydrophobicContact CD2-CG2 4.08Å; L541-V621 HydrophobicContact CG-CG2 4.37Å
542	V	94.1	Very high	91.9	Very high	96 Å²	96	61.6 Å²	61.6	58%	0.582	33%	0.33	S	S	*	.	H	α-helix	trans	-67.9	-40	172.9	167.8	0	0	0	0	110.4	I538 P539 G545 F546	I538-V542 HydrophobicContact CG2-CG2 4.1Å; I538-V542 WeakPolarHBondContact O-CB 3.38Å; I538-V542 VanDerWaalsContact O-CG2 3.28Å; I538-V542 WeakPolarHBondContact O-CG2 3.4Å; I538-V542 PolarHBondContact O-N 3.2Å; P539-V542 PolarHBondContact O-N 3.5Å; V542-G545 PolarHBondContact O-N 3.41Å; V542-F546 WeakPolarHBondContact O-CB 3.3Å; V542-F546 PolarHBondContact O-N 2.94Å
543	L	92.2	Very high	92.6	Very high	100 Å²	100	64.4 Å²	64.4	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-61.3	-44.7	172	179	61.5	0	0	0	111.8	P539 F546 L547	P539-L543 WeakPolarHBondContact O-CB 3.44Å; P539-L543 PolarHBondContact O-N 3.38Å; L543-F546 PolarHBondContact O-N 3.3Å; L543-L547 HydrophobicContact CD1-CD1 4.31Å; L543-L547 HydrophobicContact CD1-CG 4.31Å; L543-L547 HydrophobicContact CG-CD1 4.19Å; L543-L547 WeakPolarHBondContact O-CG 3.42Å; L543-L547 PolarHBondContact O-N 3.45Å
544	L	93.3	Very high	93	Very high	36 Å²	36	68.7 Å²	68.7	19%	0.188	36%	0.363	C	S	.	.	H	α-helix	trans	-58.5	-47.8	173.5	174.1	62.7	0	0	0	111.7	E540 L541 F546 L547 L548 V613 A617	E540-L544 PolarHBondContact O-N 3.11Å; L541-L544 PolarHBondContact O-N 2.88Å; L544-F546 VanDerWaalsContact C-N 3.33Å; L544-F546 PolarHBondContact O-N 2.92Å; L544-L547 PolarHBondContact O-N 3.08Å; L544-L548 HydrophobicContact CD1-CD1 3.88Å; L544-L548 HydrophobicContact CD1-CG 4.05Å; L544-L548 HydrophobicContact CG-CD1 4.01Å; L544-L548 WeakPolarHBondContact O-CG 3.2Å; L544-L548 PolarHBondContact O-N 2.95Å; L544-V613 HydrophobicContact CD1-CG1 3.71Å; L544-A617 HydrophobicContact CB-CB 4.06Å; L544-A617 HydrophobicContact CD1-CB 3.86Å; L544-A617 HydrophobicContact CD2-CB 3.81Å; L544-A617 HydrophobicContact CG-CB 4.11Å
545	G	93.3	Very high	93.4	Very high	38 Å²	38	66.7 Å²	66.7	39%	0.392	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-40.7	177.7	0	0	0	0	0	112.8	L541 V542 M549	L541-G545 PolarHBondContact O-N 3.04Å; V542-G545 PolarHBondContact O-N 3.41Å; G545-M549 VanDerWaalsContact O-CB 3.28Å; G545-M549 WeakPolarHBondContact O-CB 3.15Å; G545-M549 PolarHBondContact O-N 2.91Å
546	F	94.2	Very high	93.9	Very high	110 Å²	110	60 Å²	60	48%	0.482	32%	0.319	S	S	.	.	H	α-helix	trans	-64.3	-45.1	174.9	178.4	-99.8	0	0	0	112.2	V542 L543 L544 M549 N550	V542-F546 WeakPolarHBondContact O-CB 3.3Å; V542-F546 PolarHBondContact O-N 2.94Å; L543-F546 PolarHBondContact O-N 3.3Å; L544-F546 VanDerWaalsContact C-N 3.33Å; L544-F546 PolarHBondContact O-N 2.92Å; F546-M549 HydrophobicContact CD2-CE 4.13Å; F546-M549 PolarHBondContact O-N 3.46Å; F546-N550 WeakPolarHBondContact CE1-ND2 3.33Å; F546-N550 VanDerWaalsContact CE2-ND2 3.32Å; F546-N550 WeakPolarHBondContact CE2-ND2 3.28Å; F546-N550 WeakPolarHBondContact CZ-ND2 3.25Å; F546-N550 PolarHBondContact O-N 3.35Å; F546-N550 PolarHBondContact O-ND2 3.38Å
547	L	94	Very high	94.4	Very high	72 Å²	72	58.6 Å²	58.6	38%	0.377	32%	0.319	S	S	.	.	H	α-helix	trans	-63.1	-44.9	177.5	-71.1	171.1	0	0	0	111.9	L543 L544 M549 N550 G551 V613	L543-L547 HydrophobicContact CD1-CD1 4.31Å; L543-L547 HydrophobicContact CD1-CG 4.31Å; L543-L547 HydrophobicContact CG-CD1 4.19Å; L543-L547 WeakPolarHBondContact O-CG 3.42Å; L543-L547 PolarHBondContact O-N 3.45Å; L544-L547 PolarHBondContact O-N 3.08Å; L547-M549 PolarHBondContact O-N 3.12Å; L547-N550 PolarHBondContact O-N 3.32Å; L547-G551 PolarHBondContact O-N 3.47Å; L547-V613 HydrophobicContact CB-CG1 3.84Å; L547-V613 HydrophobicContact CD1-CG1 4.47Å
548	L	95.1	Very high	94.6	Very high	25 Å²	25	62.3 Å²	62.3	13%	0.131	34%	0.337	C	S	.	.	H	α-helix	trans	-63.9	-38.7	175.8	-70.7	173.2	0	0	0	112.2	L544 G551 M552 I581 L584 V613	L544-L548 HydrophobicContact CD1-CD1 3.88Å; L544-L548 HydrophobicContact CD1-CG 4.05Å; L544-L548 HydrophobicContact CG-CD1 4.01Å; L544-L548 WeakPolarHBondContact O-CG 3.2Å; L544-L548 PolarHBondContact O-N 2.95Å; L548-G551 PolarHBondContact O-N 2.88Å; L548-M552 VanDerWaalsContact O-CB 3.31Å; L548-M552 WeakPolarHBondContact O-CB 3.48Å; L548-M552 PolarHBondContact O-N 3.16Å; L548-I581 HydrophobicContact CB-CD1 4.32Å; L548-L584 HydrophobicContact CD2-CB 4.11Å; L548-V613 HydrophobicContact CD2-CG1 3.9Å; L548-V613 HydrophobicContact CG-CG1 4.07Å
549	M	95.7	Very high	94.8	Very high	90 Å²	90	58.2 Å²	58.2	44%	0.443	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-45.3	176.3	-176.1	-179	73.7	0	0	112.1	G545 F546 L547 M552 F553	G545-M549 VanDerWaalsContact O-CB 3.28Å; G545-M549 WeakPolarHBondContact O-CB 3.15Å; G545-M549 PolarHBondContact O-N 2.91Å; F546-M549 HydrophobicContact CD2-CE 4.13Å; F546-M549 PolarHBondContact O-N 3.46Å; L547-M549 PolarHBondContact O-N 3.12Å; M549-M552 WeakPolarHBondContact O-CB 3.41Å; M549-M552 PolarHBondContact O-N 2.94Å; M549-F553 HydrophobicContact CG-CD2 4.05Å; M549-F553 HydrophobicContact CG-CE2 3.73Å; M549-F553 WeakPolarHBondContact O-CD2 3.45Å; M549-F553 PolarHBondContact O-N 3.42Å; M549-F553 VanDerWaalsContact O-N 3.11Å; M549-F553 HydrophobicContact SD-CE2 4.38Å
550	N	94.6	Very high	95	Very high	77 Å²	77	57.1 Å²	57.1	41%	0.412	30%	0.302	S	S	.	.	H	α-helix	trans	-64.4	-42.1	176.3	-77.1	-86.2	0	0	0	111.6	F546 L547 M552 F553 L554	F546-N550 WeakPolarHBondContact CE1-ND2 3.33Å; F546-N550 VanDerWaalsContact CE2-ND2 3.32Å; F546-N550 WeakPolarHBondContact CE2-ND2 3.28Å; F546-N550 WeakPolarHBondContact CZ-ND2 3.25Å; F546-N550 PolarHBondContact O-N 3.35Å; F546-N550 PolarHBondContact O-ND2 3.38Å; L547-N550 PolarHBondContact O-N 3.32Å; N550-M552 VanDerWaalsContact C-N 3.34Å; N550-M552 PolarHBondContact O-N 3.48Å; N550-F553 PolarHBondContact O-N 3.13Å; N550-L554 WeakPolarHBondContact O-CB 3.33Å; N550-L554 PolarHBondContact O-N 3.48Å
551	G	95.7	Very high	95.2	Very high	12 Å²	12	61.2 Å²	61.2	12%	0.124	32%	0.324	C	S	.	.	H	α-helix	trans	-58	-45.3	172.4	0	0	0	0	0	112.1	L547 L548 F553 L554 F555 L584	L547-G551 PolarHBondContact O-N 3.47Å; L548-G551 PolarHBondContact O-N 2.88Å; G551-F553 PolarHBondContact O-N 3.19Å; G551-L554 PolarHBondContact O-N 3.08Å; G551-F555 VanDerWaalsContact O-CD2 3.26Å; G551-F555 WeakPolarHBondContact O-CD2 3.47Å; G551-F555 PolarHBondContact O-N 3.29Å; G551-L584 VanDerWaalsContact C-CD1 3.48Å
552	M	96.6	Very high	95.3	Very high	36 Å²	36	59.6 Å²	59.6	18%	0.177	32%	0.319	C	S	.	.	H	α-helix	trans	-59.2	-43.9	179.2	-175.6	-166.6	76.9	0	0	112	L548 M549 N550 S556 F577 S580 I581 L584	L548-M552 VanDerWaalsContact O-CB 3.31Å; L548-M552 WeakPolarHBondContact O-CB 3.48Å; L548-M552 PolarHBondContact O-N 3.16Å; M549-M552 WeakPolarHBondContact O-CB 3.41Å; M549-M552 PolarHBondContact O-N 2.94Å; N550-M552 VanDerWaalsContact C-N 3.34Å; N550-M552 PolarHBondContact O-N 3.48Å; M552-S556 WeakPolarHBondContact O-CB 3.5Å; M552-S556 PolarHBondContact O-N 3.48Å; M552-F577 HydrophobicContact CE-CB 4.27Å; M552-F577 HydrophobicContact CE-CD1 4.12Å; M552-F577 HydrophobicContact CE-CD2 4.28Å; M552-F577 HydrophobicContact CE-CG 3.98Å; M552-F577 HydrophobicContact CG-CB 3.9Å; M552-F577 HydrophobicContact CG-CD1 3.99Å; M552-F577 HydrophobicContact CG-CG 4.19Å; M552-F577 HydrophobicContact SD-CB 3.91Å; M552-F577 HydrophobicContact SD-CG 4.26Å; M552-S580 WeakPolarHBondContact CA-OG 3.5Å; M552-I581 HydrophobicContact CG-CB 4.37Å; M552-I581 HydrophobicContact SD-CB 4.35Å; M552-L584 HydrophobicContact CB-CD1 4.38Å
553	F	96.8	Very high	95.3	Very high	102 Å²	102	55.1 Å²	55.1	45%	0.447	29%	0.292	S	S	.	.	H	α-helix	trans	-65.7	-45.5	175.4	-77.8	-68.5	0	0	0	112.4	M549 N550 G551 S557 F577	M549-F553 HydrophobicContact CG-CD2 4.05Å; M549-F553 HydrophobicContact CG-CE2 3.73Å; M549-F553 WeakPolarHBondContact O-CD2 3.45Å; M549-F553 PolarHBondContact O-N 3.42Å; M549-F553 VanDerWaalsContact O-N 3.11Å; M549-F553 HydrophobicContact SD-CE2 4.38Å; N550-F553 PolarHBondContact O-N 3.13Å; G551-F553 PolarHBondContact O-N 3.19Å; F553-S557 WeakPolarHBondContact O-CB 3.41Å; F553-S557 PolarHBondContact O-N 2.92Å; F553-S557 PolarHBondContact O-OG 3.34Å; F553-F577 AromaticContact CD1-CE1 3.54Å; F553-F577 HydrophobicContact CD1-CE1 3.54Å; F553-F577 HydrophobicContact CD1-CE2 4.43Å; F553-F577 AromaticContact CD1-CZ 3.48Å; F553-F577 HydrophobicContact CD1-CZ 3.48Å; F553-F577 VanDerWaalsContact CD1-CZ 3.48Å; F553-F577 AromaticContact CE1-CE1 3.96Å; F553-F577 HydrophobicContact CE1-CE1 3.96Å; F553-F577 HydrophobicContact CE1-CE2 4.02Å; F553-F577 AromaticContact CE1-CZ 3.44Å; F553-F577 HydrophobicContact CE1-CZ 3.44Å; F553-F577 VanDerWaalsContact CE1-CZ 3.44Å; F553-F577 HydrophobicContact CG-CE1 4.36Å
554	L	97	Very high	95.3	Very high	92 Å²	92	58.1 Å²	58.1	48%	0.482	30%	0.297	S	S	.	.	H	α-helix	trans	-65.7	-55.7	-176.5	-176.3	154.7	0	0	0	111.7	N550 G551 S557 M558	N550-L554 WeakPolarHBondContact O-CB 3.33Å; N550-L554 PolarHBondContact O-N 3.48Å; G551-L554 PolarHBondContact O-N 3.08Å; L554-S557 PolarHBondContact O-N 3.13Å; L554-M558 HydrophobicContact CD2-CG 4.45Å; L554-M558 HydrophobicContact CD2-SD 3.54Å; L554-M558 VanDerWaalsContact CD2-SD 3.54Å; L554-M558 HydrophobicContact CG-SD 4.44Å; L554-M558 WeakPolarHBondContact O-CG 3.38Å; L554-M558 PolarHBondContact O-N 2.92Å
555	F	97.1	Very high	95.1	Very high	26 Å²	26	67.8 Å²	67.8	11%	0.114	33%	0.331	C	S	.	.	H	α-helix	trans	-74	-29.5	-174.8	-68.6	-66.1	0	0	0	113	G551 M558 M559 L584 V602 L605 T606 S609	G551-F555 VanDerWaalsContact O-CD2 3.26Å; G551-F555 WeakPolarHBondContact O-CD2 3.47Å; G551-F555 PolarHBondContact O-N 3.29Å; F555-M558 HydrophobicContact CD1-SD 4.43Å; F555-M559 VanDerWaalsContact O-CB 3.25Å; F555-M559 WeakPolarHBondContact O-CB 3.49Å; F555-M559 PolarHBondContact O-N 3.41Å; F555-L584 HydrophobicContact CD2-CD1 4.45Å; F555-L584 HydrophobicContact CD2-CD2 4.02Å; F555-L584 HydrophobicContact CE2-CD2 4.17Å; F555-V602 HydrophobicContact CD1-CG1 4.49Å; F555-L605 HydrophobicContact CE1-CB 4.26Å; F555-T606 HydrophobicContact CB-CG2 3.85Å; F555-T606 WeakPolarHBondContact CB-OG1 3.18Å; F555-T606 HydrophobicContact CD1-CG2 4.4Å; F555-T606 WeakPolarHBondContact CD1-OG1 3.29Å; F555-T606 HydrophobicContact CD2-CG2 4.02Å; F555-T606 HydrophobicContact CG-CG2 3.85Å; F555-T606 WeakPolarHBondContact CG-OG1 3.46Å; F555-S609 WeakPolarHBondContact CE2-OG 3.49Å; F555-S609 WeakPolarHBondContact CZ-OG 3.29Å
556	S	97.2	Very high	94.8	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.4	-48.1	168.5	174.8	0	0	0	0	111.7	M552 M558 M559 Y560 I573 S576 F577	M552-S556 WeakPolarHBondContact O-CB 3.5Å; M552-S556 PolarHBondContact O-N 3.48Å; S556-M558 PolarHBondContact O-N 2.96Å; S556-M559 PolarHBondContact O-N 2.96Å; S556-Y560 WeakPolarHBondContact O-CB 3.27Å; S556-Y560 PolarHBondContact O-N 3.22Å; S556-I573 PolarHBondContact OG-O 3.45Å; S556-S576 WeakPolarHBondContact OG-CB 3.43Å; S556-F577 VanDerWaalsContact OG-CD1 3.26Å; S556-F577 WeakPolarHBondContact OG-CD1 3.46Å; S556-F577 PolarHBondContact OG-N 3.05Å
557	S	96.5	Very high	94.1	Very high	45 Å²	45	70.3 Å²	70.3	32%	0.315	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-41.2	178.9	-54.2	0	0	0	0	111.7	F553 L554 I561	F553-S557 WeakPolarHBondContact O-CB 3.41Å; F553-S557 PolarHBondContact O-N 2.92Å; F553-S557 PolarHBondContact O-OG 3.34Å; L554-S557 PolarHBondContact O-N 3.13Å; S557-I561 WeakPolarHBondContact O-CG1 3.49Å; S557-I561 PolarHBondContact O-N 2.97Å
558	M	96.4	Very high	93.7	Very high	78 Å²	78	72.8 Å²	72.8	38%	0.384	36%	0.356	S	S	.	.	H	α-helix	trans	-65.8	-39.9	174.9	-71	-178.7	68.2	0	0	112.7	L554 F555 S556 I561 A562 V602	L554-M558 HydrophobicContact CD2-CG 4.45Å; L554-M558 HydrophobicContact CD2-SD 3.54Å; L554-M558 VanDerWaalsContact CD2-SD 3.54Å; L554-M558 HydrophobicContact CG-SD 4.44Å; L554-M558 WeakPolarHBondContact O-CG 3.38Å; L554-M558 PolarHBondContact O-N 2.92Å; F555-M558 HydrophobicContact CD1-SD 4.43Å; S556-M558 PolarHBondContact O-N 2.96Å; M558-I561 PolarHBondContact O-N 3.23Å; M558-A562 VanDerWaalsContact O-CB 3.28Å; M558-A562 WeakPolarHBondContact O-CB 3.24Å; M558-A562 PolarHBondContact O-N 2.89Å; M558-V602 HydrophobicContact CB-CG1 3.83Å; M558-V602 HydrophobicContact CB-CG2 4.33Å; M558-V602 HydrophobicContact CE-CG2 4.27Å
559	M	96.5	Very high	93.4	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-67.7	-45.3	179.5	-178.4	56.6	77.7	0	0	111.5	F555 S556 I561 A562 E563 F570 W579 P594 G599 V602	F555-M559 VanDerWaalsContact O-CB 3.25Å; F555-M559 WeakPolarHBondContact O-CB 3.49Å; F555-M559 PolarHBondContact O-N 3.41Å; S556-M559 PolarHBondContact O-N 2.96Å; M559-I561 VanDerWaalsContact C-N 3.27Å; M559-I561 PolarHBondContact O-N 3.01Å; M559-A562 PolarHBondContact O-N 3.11Å; M559-A562 VanDerWaalsContact O-N 3.11Å; M559-E563 PolarHBondContact O-N 2.93Å; M559-E563 HydrophobicContact SD-CG 3.56Å; M559-E563 VanDerWaalsContact SD-CG 3.56Å; M559-F570 HydrophobicContact CG-CD1 3.84Å; M559-F570 HydrophobicContact CG-CD2 3.81Å; M559-F570 HydrophobicContact CG-CE1 3.68Å; M559-F570 HydrophobicContact CG-CE2 3.66Å; M559-F570 HydrophobicContact CG-CG 3.91Å; M559-F570 HydrophobicContact CG-CZ 3.59Å; M559-F570 HydrophobicContact SD-CD2 4.18Å; M559-F570 HydrophobicContact SD-CE2 3.76Å; M559-F570 HydrophobicContact SD-CZ 4.05Å; M559-W579 HydrophobicContact CB-CE3 4.06Å; M559-W579 HydrophobicContact CB-CH2 4.48Å; M559-W579 HydrophobicContact CB-CZ3 3.74Å; M559-W579 HydrophobicContact CE-CD2 4.41Å; M559-W579 HydrophobicContact CE-CE3 4.22Å; M559-W579 HydrophobicContact CE-CH2 3.22Å; M559-W579 HydrophobicContact CE-CZ2 3.4Å; M559-W579 HydrophobicContact CE-CZ3 3.66Å; M559-W579 HydrophobicContact CG-CD2 4.5Å; M559-W579 HydrophobicContact CG-CE3 3.94Å; M559-W579 HydrophobicContact CG-CH2 4.47Å; M559-W579 HydrophobicContact CG-CZ3 3.93Å; M559-P594 HydrophobicContact CE-CB 3.95Å; M559-P594 HydrophobicContact CE-CG 3.9Å; M559-P594 HydrophobicContact SD-CB 3.91Å; M559-G599 WeakPolarHBondContact CE-O 3.34Å; M559-V602 HydrophobicContact CB-CG1 4.36Å; M559-V602 HydrophobicContact CE-CB 4.3Å; M559-V602 HydrophobicContact CE-CG1 4.25Å
560	Y	95.9	Very high	93.2	Very high	60 Å²	60	68.5 Å²	68.5	24%	0.235	34%	0.336	C	S	.	.	H	α-helix	trans	-53.7	-44.2	175.1	179.1	-105.6	0	0	0	112	S556 Y564 F570 P571 I573	S556-Y560 WeakPolarHBondContact O-CB 3.27Å; S556-Y560 PolarHBondContact O-N 3.22Å; Y560-Y564 HydrophobicContact CE1-CD2 4.13Å; Y560-Y564 HydrophobicContact CE1-CE2 4.4Å; Y560-Y564 WeakPolarHBondContact O-CB 3.47Å; Y560-Y564 PolarHBondContact O-N 3.07Å; Y560-Y564 VanDerWaalsContact O-N 3.11Å; Y560-F570 WeakPolarHBondContact CD2-O 3.4Å; Y560-F570 WeakPolarHBondContact CE2-O 3.36Å; Y560-P571 WeakPolarHBondContact CE2-O 3.34Å; Y560-I573 HydrophobicContact CD1-CD1 4.03Å; Y560-I573 HydrophobicContact CD1-CG1 3.73Å; Y560-I573 HydrophobicContact CD2-CG1 4.17Å; Y560-I573 HydrophobicContact CE1-CD1 4.45Å; Y560-I573 HydrophobicContact CE1-CG1 4.27Å; Y560-I573 HydrophobicContact CG-CD1 4.46Å; Y560-I573 HydrophobicContact CG-CG1 3.68Å
561	I	94.9	Very high	93	Very high	127 Å²	127	68.2 Å²	68.2	65%	0.651	34%	0.338	S	S	*	.	H	α-helix	trans	-71.2	-38.7	177.5	-65.2	168.6	0	0	0	111.8	S557 M558 M559 Y564	S557-I561 WeakPolarHBondContact O-CG1 3.49Å; S557-I561 PolarHBondContact O-N 2.97Å; M558-I561 PolarHBondContact O-N 3.23Å; M559-I561 VanDerWaalsContact C-N 3.27Å; M559-I561 PolarHBondContact O-N 3.01Å; I561-Y564 WeakPolarHBondContact O-CB 3.2Å
562	A	94.8	Very high	92.9	Very high	29 Å²	29	72.4 Å²	72.4	24%	0.24	36%	0.357	C	S	.	.	H	α-helix	trans	-68.8	-34.1	-178.9	0	0	0	0	0	113.3	M558 M559 A598 V602	M558-A562 VanDerWaalsContact O-CB 3.28Å; M558-A562 WeakPolarHBondContact O-CB 3.24Å; M558-A562 PolarHBondContact O-N 2.89Å; M559-A562 PolarHBondContact O-N 3.11Å; M559-A562 VanDerWaalsContact O-N 3.11Å; A562-A598 HydrophobicContact CB-CB 3.97Å; A562-V602 HydrophobicContact CB-CG2 4.03Å
563	E	94.6	Very high	92.8	Very high	2 Å²	2	73.6 Å²	73.6	1%	0.009	36%	0.364	C	S	.	.	H	α-helix	trans	-98.7	2.5	179.5	-67.1	-76.5	126.3	0	0	113.3	M559 R565 V566 T569 F570 P594 K595 G596 G599	M559-E563 PolarHBondContact O-N 2.93Å; M559-E563 HydrophobicContact SD-CG 3.56Å; M559-E563 VanDerWaalsContact SD-CG 3.56Å; E563-R565 PolarHBondContact O-N 3.02Å; E563-V566 WeakPolarHBondContact O-CB 3.33Å; E563-V566 PolarHBondContact O-N 3.16Å; E563-T569 PolarHBondContact OE2-OG1 2.93Å; E563-T569 VanDerWaalsContact OE2-OG1 3.04Å; E563-F570 HydrophobicContact CB-CD2 3.77Å; E563-F570 HydrophobicContact CG-CD2 3.67Å; E563-F570 HydrophobicContact CG-CE2 3.92Å; E563-P594 HydrophobicContact CG-CB 4.12Å; E563-P594 WeakPolarHBondContact OE1-CB 3.21Å; E563-P594 WeakPolarHBondContact OE2-CA 3.42Å; E563-K595 PolarHBondContact OE1-N 2.95Å; E563-K595 PolarHBondContact OE2-N 3.09Å; E563-G596 WeakPolarHBondContact OE1-CA 3.24Å; E563-G596 PolarHBondContact OE1-N 3.49Å; E563-G599 WeakPolarHBondContact OE1-CA 3.45Å
564	Y	92.2	Very high	92.7	Very high	163 Å²	163	73.1 Å²	73.1	64%	0.639	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-15.2	-177.4	-169.8	-96.3	0	0	0	115.5	Y560 I561	Y560-Y564 HydrophobicContact CE1-CD2 4.13Å; Y560-Y564 HydrophobicContact CE1-CE2 4.4Å; Y560-Y564 WeakPolarHBondContact O-CB 3.47Å; Y560-Y564 PolarHBondContact O-N 3.07Å; Y560-Y564 VanDerWaalsContact O-N 3.11Å; I561-Y564 WeakPolarHBondContact O-CB 3.2Å
565	R	88.5	Confident	92.5	Very high	240 Å²	240	73.1 Å²	73.1	91%	0.906	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	1.2	175.3	-64.4	-178.3	177.3	177.5	-2.1	114	E563	E563-R565 PolarHBondContact O-N 3.02Å
566	V	87.3	Confident	92.4	Very high	40 Å²	40	71.9 Å²	71.9	24%	0.242	36%	0.363	C	S	.	.			trans	-120.4	94.9	-173	-175.5	0	0	0	0	109.1	E563 D568 T569 K595	E563-V566 WeakPolarHBondContact O-CB 3.33Å; E563-V566 PolarHBondContact O-N 3.16Å; V566-D568 PolarHBondContact O-N 3.25Å; V566-T569 VanDerWaalsContact CG1-OG1 3.27Å; V566-T569 WeakPolarHBondContact CG1-OG1 3.45Å; V566-T569 PolarHBondContact O-N 2.75Å; V566-T569 PolarHBondContact O-OG1 3.44Å; V566-K595 HydrophobicContact CG1-CB 4.2Å; V566-K595 HydrophobicContact CG1-CD 3.93Å; V566-K595 HydrophobicContact CG1-CG 4.43Å
567	N	78.4	Confident	92.4	Very high	160 Å²	160	73.9 Å²	73.9	86%	0.856	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-10.8	-168.8	-58.8	-16.7	0	0	0	115.8
568	D	85.6	Confident	92.3	Very high	125 Å²	125	77.3 Å²	77.3	67%	0.668	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-17.5	-178.3	-58.3	-22.1	0	0	0	113.7	V566 K595	V566-D568 PolarHBondContact O-N 3.25Å; D568-K595 IonicContact OD2-NZ 3.75Å; D568-K595 PolarHBondContact OD2-NZ 3.29Å
569	T	88.3	Confident	92.3	Very high	20 Å²	20	74.1 Å²	74.1	12%	0.123	36%	0.362	C	S	.	.	S	Bend	trans	-125.1	140.5	-165.3	45.7	0	0	0	0	111.2	E563 V566 K595	E563-T569 PolarHBondContact OE2-OG1 2.93Å; E563-T569 VanDerWaalsContact OE2-OG1 3.04Å; V566-T569 VanDerWaalsContact CG1-OG1 3.27Å; V566-T569 WeakPolarHBondContact CG1-OG1 3.45Å; V566-T569 PolarHBondContact O-N 2.75Å; V566-T569 PolarHBondContact O-OG1 3.44Å; T569-K595 HydrophobicContact CG2-CD 4.19Å; T569-K595 HydrophobicContact CG2-CG 4.13Å
570	F	92.1	Very high	92.4	Very high	5 Å²	5	74.1 Å²	74.1	2%	0.022	36%	0.362	C	S	.	.			trans	53.1	58.3	174.9	-54.5	-75.1	0	0	0	115.1	M559 Y560 E563 D572 S576 W579 M592	M559-F570 HydrophobicContact CG-CD1 3.84Å; M559-F570 HydrophobicContact CG-CD2 3.81Å; M559-F570 HydrophobicContact CG-CE1 3.68Å; M559-F570 HydrophobicContact CG-CE2 3.66Å; M559-F570 HydrophobicContact CG-CG 3.91Å; M559-F570 HydrophobicContact CG-CZ 3.59Å; M559-F570 HydrophobicContact SD-CD2 4.18Å; M559-F570 HydrophobicContact SD-CE2 3.76Å; M559-F570 HydrophobicContact SD-CZ 4.05Å; Y560-F570 WeakPolarHBondContact CD2-O 3.4Å; Y560-F570 WeakPolarHBondContact CE2-O 3.36Å; E563-F570 HydrophobicContact CB-CD2 3.77Å; E563-F570 HydrophobicContact CG-CD2 3.67Å; E563-F570 HydrophobicContact CG-CE2 3.92Å; F570-D572 VanDerWaalsContact C-N 3.3Å; F570-D572 PolarHBondContact O-N 3.18Å; F570-S576 WeakPolarHBondContact CB-OG 3.35Å; F570-S576 WeakPolarHBondContact CD1-OG 3.33Å; F570-W579 HydrophobicContact CE1-CB 3.59Å; F570-W579 AromaticContact CE1-CD2 3.82Å; F570-W579 HydrophobicContact CE1-CD2 3.82Å; F570-W579 HydrophobicContact CE1-CE3 4.14Å; F570-W579 AromaticContact CE1-CG 3.52Å; F570-W579 HydrophobicContact CE1-CG 3.52Å; F570-W579 HydrophobicContact CZ-CB 4.31Å; F570-W579 AromaticContact CZ-CD2 3.95Å; F570-W579 HydrophobicContact CZ-CD2 3.95Å; F570-W579 HydrophobicContact CZ-CE3 4.49Å; F570-W579 AromaticContact CZ-CG 3.79Å; F570-W579 HydrophobicContact CZ-CG 3.79Å; F570-M592 HydrophobicContact CD1-CE 3.6Å; F570-M592 HydrophobicContact CE1-CB 4.43Å; F570-M592 HydrophobicContact CE1-CE 3.84Å; F570-M592 HydrophobicContact CG-CE 4.23Å
571	P	91.4	Very high	92.3	Very high	71 Å²	71	73.7 Å²	73.7	46%	0.461	36%	0.363	S	S	.	.			trans	-64.6	-31.4	-174.8	27.8	-36.2	0	0	0	113.6	Y560	Y560-P571 WeakPolarHBondContact CE2-O 3.34Å
572	D	92.6	Very high	92.4	Very high	99 Å²	99	68 Å²	68	53%	0.529	33%	0.334	S	S	.	.	S	Bend	trans	-138.9	153.3	178.1	-64	-75.7	0	0	0	112.1	F570 Q575 S576	F570-D572 VanDerWaalsContact C-N 3.3Å; F570-D572 PolarHBondContact O-N 3.18Å; D572-Q575 PolarHBondContact O-N 3.45Å; D572-S576 PolarHBondContact O-N 3.36Å; D572-S576 PolarHBondContact O-OG 2.92Å
573	I	94.8	Very high	92.5	Very high	61 Å²	61	67.8 Å²	67.8	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-39.8	177.4	-58.7	174.7	0	0	0	112.6	S556 Y560 Q575 S576 F577	S556-I573 PolarHBondContact OG-O 3.45Å; Y560-I573 HydrophobicContact CD1-CD1 4.03Å; Y560-I573 HydrophobicContact CD1-CG1 3.73Å; Y560-I573 HydrophobicContact CD2-CG1 4.17Å; Y560-I573 HydrophobicContact CE1-CD1 4.45Å; Y560-I573 HydrophobicContact CE1-CG1 4.27Å; Y560-I573 HydrophobicContact CG-CD1 4.46Å; Y560-I573 HydrophobicContact CG-CG1 3.68Å; I573-Q575 VanDerWaalsContact C-N 3.34Å; I573-Q575 PolarHBondContact O-N 3.41Å; I573-S576 CarbonylContact O-C 3.52Å; I573-S576 WeakPolarHBondContact O-CA 3.2Å; I573-S576 WeakPolarHBondContact O-CB 3.34Å; I573-S576 PolarHBondContact O-N 2.98Å; I573-S576 VanDerWaalsContact O-N 3.11Å; I573-F577 HydrophobicContact CG2-CE1 3.75Å; I573-F577 HydrophobicContact CG2-CZ 3.83Å; I573-F577 PolarHBondContact O-N 3.3Å
574	P	94.6	Very high	92.6	Very high	93 Å²	93	67.8 Å²	67.8	60%	0.604	33%	0.33	S	S	*	.	H	α-helix	trans	-63.4	-33.5	174.8	-26.7	38.2	0	0	0	114.7	F577	P574-F577 HydrophobicContact CB-CD2 4.33Å; P574-F577 HydrophobicContact CB-CE2 4.37Å; P574-F577 WeakPolarHBondContact O-CB 3.02Å; P574-F577 PolarHBondContact O-N 3.23Å
575	Q	92.5	Very high	92.7	Very high	91 Å²	91	62.8 Å²	62.8	43%	0.425	32%	0.316	S	S	.	.	H	α-helix	trans	-72.6	-34.1	172.1	-169.8	177.2	-21.3	0	0	110.8	D572 I573 F577 W578 M592	D572-Q575 PolarHBondContact O-N 3.45Å; I573-Q575 VanDerWaalsContact C-N 3.34Å; I573-Q575 PolarHBondContact O-N 3.41Å; Q575-F577 PolarHBondContact O-N 3.17Å; Q575-W578 WeakPolarHBondContact O-CB 3.39Å; Q575-W578 PolarHBondContact O-N 3.09Å; Q575-W578 VanDerWaalsContact O-N 3.1Å; Q575-M592 HydrophobicContact CG-CE 3.91Å; Q575-M592 HydrophobicContact CG-SD 3.76Å; Q575-M592 PolarHBondContact NE2-SD 3.22Å; Q575-M592 VanDerWaalsContact NE2-SD 3.45Å
576	S	95.2	Very high	93	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.3	-21.5	175.4	-54.1	0	0	0	0	113.2	S556 F570 D572 I573 W578 S580	S556-S576 WeakPolarHBondContact OG-CB 3.43Å; F570-S576 WeakPolarHBondContact CB-OG 3.35Å; F570-S576 WeakPolarHBondContact CD1-OG 3.33Å; D572-S576 PolarHBondContact O-N 3.36Å; D572-S576 PolarHBondContact O-OG 2.92Å; I573-S576 CarbonylContact O-C 3.52Å; I573-S576 WeakPolarHBondContact O-CA 3.2Å; I573-S576 WeakPolarHBondContact O-CB 3.34Å; I573-S576 PolarHBondContact O-N 2.98Å; I573-S576 VanDerWaalsContact O-N 3.11Å; S576-W578 VanDerWaalsContact C-N 3.34Å; S576-W578 PolarHBondContact O-N 3.29Å; S576-S580 WeakPolarHBondContact O-CB 3.29Å; S576-S580 PolarHBondContact O-N 3.5Å
577	F	96.6	Very high	93.5	Very high	43 Å²	43	56.6 Å²	56.6	19%	0.189	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-36.6	168.9	-62.8	-32.7	0	0	0	112.9	M552 F553 S556 I573 P574 Q575 S580 I581	M552-F577 HydrophobicContact CE-CB 4.27Å; M552-F577 HydrophobicContact CE-CD1 4.12Å; M552-F577 HydrophobicContact CE-CD2 4.28Å; M552-F577 HydrophobicContact CE-CG 3.98Å; M552-F577 HydrophobicContact CG-CB 3.9Å; M552-F577 HydrophobicContact CG-CD1 3.99Å; M552-F577 HydrophobicContact CG-CG 4.19Å; M552-F577 HydrophobicContact SD-CB 3.91Å; M552-F577 HydrophobicContact SD-CG 4.26Å; F553-F577 AromaticContact CD1-CE1 3.54Å; F553-F577 HydrophobicContact CD1-CE1 3.54Å; F553-F577 HydrophobicContact CD1-CE2 4.43Å; F553-F577 AromaticContact CD1-CZ 3.48Å; F553-F577 HydrophobicContact CD1-CZ 3.48Å; F553-F577 VanDerWaalsContact CD1-CZ 3.48Å; F553-F577 AromaticContact CE1-CE1 3.96Å; F553-F577 HydrophobicContact CE1-CE1 3.96Å; F553-F577 HydrophobicContact CE1-CE2 4.02Å; F553-F577 AromaticContact CE1-CZ 3.44Å; F553-F577 HydrophobicContact CE1-CZ 3.44Å; F553-F577 VanDerWaalsContact CE1-CZ 3.44Å; F553-F577 HydrophobicContact CG-CE1 4.36Å; S556-F577 VanDerWaalsContact OG-CD1 3.26Å; S556-F577 WeakPolarHBondContact OG-CD1 3.46Å; S556-F577 PolarHBondContact OG-N 3.05Å; I573-F577 HydrophobicContact CG2-CE1 3.75Å; I573-F577 HydrophobicContact CG2-CZ 3.83Å; I573-F577 PolarHBondContact O-N 3.3Å; P574-F577 HydrophobicContact CB-CD2 4.33Å; P574-F577 HydrophobicContact CB-CE2 4.37Å; P574-F577 WeakPolarHBondContact O-CB 3.02Å; P574-F577 PolarHBondContact O-N 3.23Å; Q575-F577 PolarHBondContact O-N 3.17Å; F577-S580 PolarHBondContact O-N 3.02Å; F577-I581 WeakPolarHBondContact O-CG2 3.4Å; F577-I581 PolarHBondContact O-N 3.37Å
578	W	95.8	Very high	94.2	Very high	117 Å²	117	51.4 Å²	51.4	44%	0.443	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-51.5	179.7	167.2	-112	0	0	0	111.1	Q575 S576 S580 I581 I582 Y589 D591	Q575-W578 WeakPolarHBondContact O-CB 3.39Å; Q575-W578 PolarHBondContact O-N 3.09Å; Q575-W578 VanDerWaalsContact O-N 3.1Å; S576-W578 VanDerWaalsContact C-N 3.34Å; S576-W578 PolarHBondContact O-N 3.29Å; W578-S580 VanDerWaalsContact C-N 3.35Å; W578-S580 PolarHBondContact O-N 3.03Å; W578-I581 WeakPolarHBondContact O-CG2 3.43Å; W578-I581 PolarHBondContact O-N 2.94Å; W578-I582 HydrophobicContact CD2-CG2 4.33Å; W578-I582 HydrophobicContact CE3-CG2 4.23Å; W578-I582 HydrophobicContact CH2-CG2 4.1Å; W578-I582 HydrophobicContact CZ2-CG2 4.17Å; W578-I582 HydrophobicContact CZ3-CG2 4.12Å; W578-I582 WeakPolarHBondContact O-CG1 3.44Å; W578-I582 PolarHBondContact O-N 3.34Å; W578-Y589 HydrophobicContact CH2-CD2 4.13Å; W578-Y589 AromaticContact CH2-CE2 3.72Å; W578-Y589 HydrophobicContact CH2-CE2 3.72Å; W578-Y589 AromaticContact CZ2-CD2 3.66Å; W578-Y589 HydrophobicContact CZ2-CD2 3.66Å; W578-Y589 AromaticContact CZ2-CE2 3.75Å; W578-Y589 HydrophobicContact CZ2-CE2 3.75Å; W578-D591 PolarHBondContact NE1-OD2 3.35Å
579	W	96.6	Very high	94.7	Very high	11 Å²	11	52.8 Å²	52.8	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-57.2	-47.8	172.4	171.5	79.6	0	0	0	111.8	M559 F570 I581 I582 T583 M592 T606	M559-W579 HydrophobicContact CB-CE3 4.06Å; M559-W579 HydrophobicContact CB-CH2 4.48Å; M559-W579 HydrophobicContact CB-CZ3 3.74Å; M559-W579 HydrophobicContact CE-CD2 4.41Å; M559-W579 HydrophobicContact CE-CE3 4.22Å; M559-W579 HydrophobicContact CE-CH2 3.22Å; M559-W579 HydrophobicContact CE-CZ2 3.4Å; M559-W579 HydrophobicContact CE-CZ3 3.66Å; M559-W579 HydrophobicContact CG-CD2 4.5Å; M559-W579 HydrophobicContact CG-CE3 3.94Å; M559-W579 HydrophobicContact CG-CH2 4.47Å; M559-W579 HydrophobicContact CG-CZ3 3.93Å; F570-W579 HydrophobicContact CE1-CB 3.59Å; F570-W579 AromaticContact CE1-CD2 3.82Å; F570-W579 HydrophobicContact CE1-CD2 3.82Å; F570-W579 HydrophobicContact CE1-CE3 4.14Å; F570-W579 AromaticContact CE1-CG 3.52Å; F570-W579 HydrophobicContact CE1-CG 3.52Å; F570-W579 HydrophobicContact CZ-CB 4.31Å; F570-W579 AromaticContact CZ-CD2 3.95Å; F570-W579 HydrophobicContact CZ-CD2 3.95Å; F570-W579 HydrophobicContact CZ-CE3 4.49Å; F570-W579 AromaticContact CZ-CG 3.79Å; F570-W579 HydrophobicContact CZ-CG 3.79Å; W579-I581 PolarHBondContact O-N 3.28Å; W579-I582 VanDerWaalsContact O-CG1 3.24Å; W579-I582 WeakPolarHBondContact O-CG1 3.18Å; W579-I582 PolarHBondContact O-N 3Å; W579-T583 HydrophobicContact CZ2-CG2 4.07Å; W579-T583 PolarHBondContact NE1-OG1 3.1Å; W579-T583 PolarHBondContact O-N 3.22Å; W579-T583 PolarHBondContact O-OG1 2.86Å; W579-M592 HydrophobicContact CB-CB 4.22Å; W579-M592 VanDerWaalsContact CD1-O 3.25Å; W579-T606 HydrophobicContact CH2-CG2 3.97Å; W579-T606 WeakPolarHBondContact CH2-OG1 3.45Å; W579-T606 HydrophobicContact CZ3-CG2 4.33Å
580	S	96.9	Very high	94.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-42.3	-175.7	-170.8	0	0	0	0	112.1	M552 S576 F577 W578 T583 L584	M552-S580 WeakPolarHBondContact CA-OG 3.5Å; S576-S580 WeakPolarHBondContact O-CB 3.29Å; S576-S580 PolarHBondContact O-N 3.5Å; F577-S580 PolarHBondContact O-N 3.02Å; W578-S580 VanDerWaalsContact C-N 3.35Å; W578-S580 PolarHBondContact O-N 3.03Å; S580-T583 PolarHBondContact O-N 3.46Å; S580-L584 VanDerWaalsContact O-CB 3.3Å; S580-L584 WeakPolarHBondContact O-CB 3.04Å; S580-L584 WeakPolarHBondContact O-CD1 3.46Å; S580-L584 WeakPolarHBondContact O-CG 3Å; S580-L584 PolarHBondContact O-N 3.21Å
581	I	95.6	Very high	95	Very high	51 Å²	51	58.1 Å²	58.1	26%	0.262	33%	0.332	S	S	.	.	H	α-helix	trans	-71	-36.9	178.7	-165.1	61.9	0	0	0	112.7	L548 M552 F577 W578 W579 T583 T585	L548-I581 HydrophobicContact CB-CD1 4.32Å; M552-I581 HydrophobicContact CG-CB 4.37Å; M552-I581 HydrophobicContact SD-CB 4.35Å; F577-I581 WeakPolarHBondContact O-CG2 3.4Å; F577-I581 PolarHBondContact O-N 3.37Å; W578-I581 WeakPolarHBondContact O-CG2 3.43Å; W578-I581 PolarHBondContact O-N 2.94Å; W579-I581 PolarHBondContact O-N 3.28Å; I581-T583 VanDerWaalsContact C-N 3.35Å; I581-T585 HydrophobicContact CD1-CG2 4.33Å; I581-T585 WeakPolarHBondContact O-CB 3.31Å; I581-T585 WeakPolarHBondContact O-CG2 3.48Å; I581-T585 PolarHBondContact O-N 3.15Å; I581-T585 PolarHBondContact O-OG1 2.84Å
582	I	96.4	Very high	95.1	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-72	-27.7	176.4	68.2	177.8	0	0	0	112.6	W578 W579 A586 V587 G588 Y589	W578-I582 HydrophobicContact CD2-CG2 4.33Å; W578-I582 HydrophobicContact CE3-CG2 4.23Å; W578-I582 HydrophobicContact CH2-CG2 4.1Å; W578-I582 HydrophobicContact CZ2-CG2 4.17Å; W578-I582 HydrophobicContact CZ3-CG2 4.12Å; W578-I582 WeakPolarHBondContact O-CG1 3.44Å; W578-I582 PolarHBondContact O-N 3.34Å; W579-I582 VanDerWaalsContact O-CG1 3.24Å; W579-I582 WeakPolarHBondContact O-CG1 3.18Å; W579-I582 PolarHBondContact O-N 3Å; I582-A586 PolarHBondContact O-N 3.18Å; I582-V587 HydrophobicContact CB-CB 4.31Å; I582-V587 PolarHBondContact O-N 3.11Å; I582-G588 PolarHBondContact O-N 2.92Å; I582-G588 VanDerWaalsContact O-N 3.15Å; I582-Y589 HydrophobicContact CB-CD2 4.46Å; I582-Y589 HydrophobicContact CD1-CD2 3.9Å; I582-Y589 HydrophobicContact CD1-CG 4.49Å; I582-Y589 HydrophobicContact CG2-CD2 4Å; I582-Y589 HydrophobicContact CG2-CE2 3.99Å
583	T	96.8	Very high	95.1	Very high	23 Å²	23	55.8 Å²	55.8	14%	0.141	31%	0.312	C	S	.	.	H	α-helix	trans	-77	-43.1	171.8	-61.4	0	0	0	0	111.7	W579 S580 I581 T585 A586 T606 A607	W579-T583 HydrophobicContact CZ2-CG2 4.07Å; W579-T583 PolarHBondContact NE1-OG1 3.1Å; W579-T583 PolarHBondContact O-N 3.22Å; W579-T583 PolarHBondContact O-OG1 2.86Å; S580-T583 PolarHBondContact O-N 3.46Å; I581-T583 VanDerWaalsContact C-N 3.35Å; T583-T585 PolarHBondContact O-N 3.11Å; T583-A586 PolarHBondContact O-N 3.31Å; T583-T606 HydrophobicContact CG2-CG2 3.68Å; T583-A607 HydrophobicContact CG2-CB 4.07Å
584	L	96	Very high	95.2	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-26.3	175.9	-74.9	166.7	0	0	0	113.5	L548 G551 M552 F555 S580 T606 S609 G610	L548-L584 HydrophobicContact CD2-CB 4.11Å; G551-L584 VanDerWaalsContact C-CD1 3.48Å; M552-L584 HydrophobicContact CB-CD1 4.38Å; F555-L584 HydrophobicContact CD2-CD1 4.45Å; F555-L584 HydrophobicContact CD2-CD2 4.02Å; F555-L584 HydrophobicContact CE2-CD2 4.17Å; S580-L584 VanDerWaalsContact O-CB 3.3Å; S580-L584 WeakPolarHBondContact O-CB 3.04Å; S580-L584 WeakPolarHBondContact O-CD1 3.46Å; S580-L584 WeakPolarHBondContact O-CG 3Å; S580-L584 PolarHBondContact O-N 3.21Å; L584-T606 HydrophobicContact CD2-CG2 3.98Å; L584-T606 HydrophobicContact CG-CG2 3.86Å; L584-S609 WeakPolarHBondContact CD2-OG 3.42Å; L584-G610 CarbonylContact O-C 3.52Å; L584-G610 WeakPolarHBondContact O-CA 3.34Å
585	T	95	Very high	95.1	Very high	58 Å²	58	53.5 Å²	53.5	36%	0.356	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	4.8	174.2	54.9	0	0	0	0	113.7	I581 T583 V587	I581-T585 HydrophobicContact CD1-CG2 4.33Å; I581-T585 WeakPolarHBondContact O-CB 3.31Å; I581-T585 WeakPolarHBondContact O-CG2 3.48Å; I581-T585 PolarHBondContact O-N 3.15Å; I581-T585 PolarHBondContact O-OG1 2.84Å; T583-T585 PolarHBondContact O-N 3.11Å; T585-V587 PolarHBondContact O-N 3.35Å
586	A	95.1	Very high	95.1	Very high	77 Å²	77	50.1 Å²	50.1	64%	0.636	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	31.3	-178.4	0	0	0	0	0	114.8	I582 T583	I582-A586 PolarHBondContact O-N 3.18Å; T583-A586 PolarHBondContact O-N 3.31Å
587	V	96.3	Very high	95	Very high	73 Å²	73	53 Å²	53	44%	0.442	31%	0.311	S	S	.	.			trans	-86.1	-43.8	176.8	175.4	0	0	0	0	111.7	I582 T585 Y589	I582-V587 HydrophobicContact CB-CB 4.31Å; I582-V587 PolarHBondContact O-N 3.11Å; T585-V587 PolarHBondContact O-N 3.35Å; V587-Y589 HydrophobicContact CG1-CD1 4.09Å; V587-Y589 HydrophobicContact CG1-CD2 4.17Å; V587-Y589 HydrophobicContact CG1-CE1 3.66Å; V587-Y589 HydrophobicContact CG1-CE2 3.74Å; V587-Y589 HydrophobicContact CG1-CG 4.32Å; V587-Y589 VanDerWaalsContact CG1-CZ 3.47Å; V587-Y589 PolarHBondContact O-N 3.28Å
588	G	94.2	Very high	94.8	Very high	50 Å²	50	53.6 Å²	53.6	52%	0.515	32%	0.324	S	S	.	.			trans	50.4	58.9	167.2	0	0	0	0	0	117	I582 G590	I582-G588 PolarHBondContact O-N 2.92Å; I582-G588 VanDerWaalsContact O-N 3.15Å; G588-G590 PolarHBondContact O-N 3.02Å; G588-G590 VanDerWaalsContact O-N 3.13Å
589	Y	95.5	Very high	94.8	Very high	154 Å²	154	48 Å²	48	60%	0.604	30%	0.303	S	S	*	.			trans	-59.6	-22.1	-179.3	-65.8	-58.8	0	0	0	115.4	W578 I582 V587 D591	W578-Y589 HydrophobicContact CH2-CD2 4.13Å; W578-Y589 AromaticContact CH2-CE2 3.72Å; W578-Y589 HydrophobicContact CH2-CE2 3.72Å; W578-Y589 AromaticContact CZ2-CD2 3.66Å; W578-Y589 HydrophobicContact CZ2-CD2 3.66Å; W578-Y589 AromaticContact CZ2-CE2 3.75Å; W578-Y589 HydrophobicContact CZ2-CE2 3.75Å; I582-Y589 HydrophobicContact CB-CD2 4.46Å; I582-Y589 HydrophobicContact CD1-CD2 3.9Å; I582-Y589 HydrophobicContact CD1-CG 4.49Å; I582-Y589 HydrophobicContact CG2-CD2 4Å; I582-Y589 HydrophobicContact CG2-CE2 3.99Å; V587-Y589 HydrophobicContact CG1-CD1 4.09Å; V587-Y589 HydrophobicContact CG1-CD2 4.17Å; V587-Y589 HydrophobicContact CG1-CE1 3.66Å; V587-Y589 HydrophobicContact CG1-CE2 3.74Å; V587-Y589 HydrophobicContact CG1-CG 4.32Å; V587-Y589 VanDerWaalsContact CG1-CZ 3.47Å; V587-Y589 PolarHBondContact O-N 3.28Å; Y589-D591 WeakPolarHBondContact CB-OD1 3.38Å; Y589-D591 PolarHBondContact O-N 2.96Å
590	G	93.5	Very high	94.8	Very high	44 Å²	44	53.6 Å²	53.6	45%	0.454	33%	0.325	S	S	.	.	S	Bend	trans	80	-4.8	178.1	0	0	0	0	0	115.4	G588 M592 H593	G588-G590 PolarHBondContact O-N 3.02Å; G588-G590 VanDerWaalsContact O-N 3.13Å; G590-M592 PolarHBondContact O-N 2.79Å; G590-H593 PolarHBondContact O-ND1 3.02Å
591	D	93.7	Very high	94.8	Very high	94 Å²	94	60.1 Å²	60.1	50%	0.503	35%	0.353	S	S	.	.	S	Bend	trans	-59.9	-31.7	174.4	64.1	-38.5	0	0	0	113.2	W578 Y589	W578-D591 PolarHBondContact NE1-OD2 3.35Å; Y589-D591 WeakPolarHBondContact CB-OD1 3.38Å; Y589-D591 PolarHBondContact O-N 2.96Å
592	M	92.7	Very high	94.8	Very high	24 Å²	24	58.1 Å²	58.1	12%	0.118	34%	0.343	C	S	.	.	S	Bend	trans	-126.3	137.6	164.6	-64	-173.3	72	0	0	110	F570 Q575 W579 G590	F570-M592 HydrophobicContact CD1-CE 3.6Å; F570-M592 HydrophobicContact CE1-CB 4.43Å; F570-M592 HydrophobicContact CE1-CE 3.84Å; F570-M592 HydrophobicContact CG-CE 4.23Å; Q575-M592 HydrophobicContact CG-CE 3.91Å; Q575-M592 HydrophobicContact CG-SD 3.76Å; Q575-M592 PolarHBondContact NE2-SD 3.22Å; Q575-M592 VanDerWaalsContact NE2-SD 3.45Å; W579-M592 HydrophobicContact CB-CB 4.22Å; W579-M592 VanDerWaalsContact CD1-O 3.25Å; G590-M592 PolarHBondContact O-N 2.79Å
593	H	94.3	Very high	94.8	Very high	97 Å²	97	58.3 Å²	58.3	45%	0.449	35%	0.347	S	S	.	.			trans	-155.3	151.1	176.4	52.8	-94.2	0	0	0	110.2	G590	G590-H593 PolarHBondContact O-ND1 3.02Å
594	P	95.4	Very high	94.8	Very high	11 Å²	11	60.6 Å²	60.6	7%	0.071	36%	0.364	C	S	.	.			trans	-63.9	148.3	169.1	27.3	-34.8	0	0	0	111.6	M559 E563 G599 Y600	M559-P594 HydrophobicContact CE-CB 3.95Å; M559-P594 HydrophobicContact CE-CG 3.9Å; M559-P594 HydrophobicContact SD-CB 3.91Å; E563-P594 HydrophobicContact CG-CB 4.12Å; E563-P594 WeakPolarHBondContact OE1-CB 3.21Å; E563-P594 WeakPolarHBondContact OE2-CA 3.42Å; P594-G599 VanDerWaalsContact CB-C 3.42Å; P594-Y600 HydrophobicContact CB-CD1 4.41Å; P594-Y600 HydrophobicContact CG-CD1 3.85Å; P594-Y600 HydrophobicContact CG-CE1 4.19Å; P594-Y600 WeakPolarHBondContact O-CE1 3.41Å; P594-Y600 PolarHBondContact O-OH 3.26Å
595	K	93.6	Very high	94.8	Very high	94 Å²	94	63.8 Å²	63.8	41%	0.409	38%	0.381	S	S	.	.			trans	-109	-24.4	170	-60.7	-176.6	-175.8	-176.2	0	112.4	E563 V566 D568 T569 Y600	E563-K595 PolarHBondContact OE1-N 2.95Å; E563-K595 PolarHBondContact OE2-N 3.09Å; V566-K595 HydrophobicContact CG1-CB 4.2Å; V566-K595 HydrophobicContact CG1-CD 3.93Å; V566-K595 HydrophobicContact CG1-CG 4.43Å; D568-K595 IonicContact OD2-NZ 3.75Å; D568-K595 PolarHBondContact OD2-NZ 3.29Å; T569-K595 HydrophobicContact CG2-CD 4.19Å; T569-K595 HydrophobicContact CG2-CG 4.13Å; K595-Y600 WeakPolarHBondContact O-CE2 3.45Å; K595-Y600 PolarHBondContact O-OH 3.46Å
596	G	91.3	Very high	94.9	Very high	21 Å²	21	61 Å²	61	22%	0.216	36%	0.364	C	S	.	.	S	Bend	trans	-90.7	153.8	-176.8	0	0	0	0	0	114.1	E563 A598 G599 Y600	E563-G596 WeakPolarHBondContact OE1-CA 3.24Å; E563-G596 PolarHBondContact OE1-N 3.49Å; G596-A598 VanDerWaalsContact C-N 3.28Å; G596-A598 PolarHBondContact O-N 3.47Å; G596-G599 WeakPolarHBondContact O-CA 3.44Å; G596-G599 PolarHBondContact O-N 2.74Å; G596-Y600 VanDerWaalsContact O-CD2 3.27Å; G596-Y600 WeakPolarHBondContact O-CD2 3.44Å; G596-Y600 PolarHBondContact O-N 3.46Å
597	G	92.8	Very high	95	Very high	60 Å²	60	59.2 Å²	59.2	62%	0.619	35%	0.349	S	S	*	.	H	α-helix	trans	-56.1	-38	178.5	0	0	0	0	0	114.2	F601	G597-F601 PolarHBondContact O-N 3.18Å
598	A	93.8	Very high	95	Very high	56 Å²	56	60.7 Å²	60.7	46%	0.463	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-42	174.6	0	0	0	0	0	111.8	A562 G596 F601 V602	A562-A598 HydrophobicContact CB-CB 3.97Å; G596-A598 VanDerWaalsContact C-N 3.28Å; G596-A598 PolarHBondContact O-N 3.47Å; A598-F601 PolarHBondContact O-N 3.23Å; A598-V602 WeakPolarHBondContact O-CG2 3.48Å; A598-V602 PolarHBondContact O-N 3.29Å
599	G	95.5	Very high	95.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-42.3	175.5	0	0	0	0	0	112.5	M559 E563 P594 G596 F601 V602 G603	M559-G599 WeakPolarHBondContact CE-O 3.34Å; E563-G599 WeakPolarHBondContact OE1-CA 3.45Å; P594-G599 VanDerWaalsContact CB-C 3.42Å; G596-G599 WeakPolarHBondContact O-CA 3.44Å; G596-G599 PolarHBondContact O-N 2.74Å; G599-F601 VanDerWaalsContact C-N 3.3Å; G599-F601 PolarHBondContact O-N 3Å; G599-V602 PolarHBondContact O-N 3.1Å; G599-G603 PolarHBondContact O-N 2.98Å
600	Y	96	Very high	95.1	Very high	128 Å²	128	52.3 Å²	52.3	50%	0.502	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-38.4	174.4	-65.3	-51.9	0	0	0	112.5	P594 K595 G596 G603 S604	P594-Y600 HydrophobicContact CB-CD1 4.41Å; P594-Y600 HydrophobicContact CG-CD1 3.85Å; P594-Y600 HydrophobicContact CG-CE1 4.19Å; P594-Y600 WeakPolarHBondContact O-CE1 3.41Å; P594-Y600 PolarHBondContact O-OH 3.26Å; K595-Y600 WeakPolarHBondContact O-CE2 3.45Å; K595-Y600 PolarHBondContact O-OH 3.46Å; G596-Y600 VanDerWaalsContact O-CD2 3.27Å; G596-Y600 WeakPolarHBondContact O-CD2 3.44Å; G596-Y600 PolarHBondContact O-N 3.46Å; Y600-G603 PolarHBondContact O-N 2.72Å; Y600-S604 WeakPolarHBondContact O-CB 3.5Å; Y600-S604 PolarHBondContact O-N 3.33Å; Y600-S604 PolarHBondContact O-OG 3.02Å
601	F	96.6	Very high	95.2	Very high	136 Å²	136	53.7 Å²	53.7	60%	0.596	31%	0.311	S	S	*	.	H	α-helix	trans	-66.1	-47	175.5	-179	-104.1	0	0	0	112	G597 A598 G599 G603 S604 L605	G597-F601 PolarHBondContact O-N 3.18Å; A598-F601 PolarHBondContact O-N 3.23Å; G599-F601 VanDerWaalsContact C-N 3.3Å; G599-F601 PolarHBondContact O-N 3Å; F601-G603 VanDerWaalsContact C-N 3.35Å; F601-G603 PolarHBondContact O-N 2.87Å; F601-S604 WeakPolarHBondContact O-CB 3.41Å; F601-S604 PolarHBondContact O-N 2.96Å; F601-L605 HydrophobicContact CD1-CD1 4.08Å; F601-L605 HydrophobicContact CE1-CD1 3.54Å; F601-L605 HydrophobicContact CE1-CG 4.41Å; F601-L605 HydrophobicContact CZ-CD1 3.83Å; F601-L605 HydrophobicContact CZ-CG 4.39Å; F601-L605 PolarHBondContact O-N 3.05Å
602	V	96.7	Very high	95.2	Very high	10 Å²	10	53.9 Å²	53.9	6%	0.061	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-42.3	175	176.1	0	0	0	0	111.4	F555 M558 M559 A562 A598 G599 S604 L605 T606	F555-V602 HydrophobicContact CD1-CG1 4.49Å; M558-V602 HydrophobicContact CB-CG1 3.83Å; M558-V602 HydrophobicContact CB-CG2 4.33Å; M558-V602 HydrophobicContact CE-CG2 4.27Å; M559-V602 HydrophobicContact CB-CG1 4.36Å; M559-V602 HydrophobicContact CE-CB 4.3Å; M559-V602 HydrophobicContact CE-CG1 4.25Å; A562-V602 HydrophobicContact CB-CG2 4.03Å; A598-V602 WeakPolarHBondContact O-CG2 3.48Å; A598-V602 PolarHBondContact O-N 3.29Å; G599-V602 PolarHBondContact O-N 3.1Å; V602-S604 PolarHBondContact O-N 3.31Å; V602-L605 PolarHBondContact O-N 2.88Å; V602-T606 WeakPolarHBondContact O-CB 3.38Å; V602-T606 PolarHBondContact O-N 3.41Å; V602-T606 PolarHBondContact O-OG1 3.41Å
603	G	96.5	Very high	95.3	Very high	12 Å²	12	54.1 Å²	54.1	12%	0.124	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-42.5	175.9	0	0	0	0	0	112.9	G599 Y600 F601 T606 A607	G599-G603 PolarHBondContact O-N 2.98Å; Y600-G603 PolarHBondContact O-N 2.72Å; F601-G603 VanDerWaalsContact C-N 3.35Å; F601-G603 PolarHBondContact O-N 2.87Å; G603-T606 WeakPolarHBondContact O-CB 3.44Å; G603-T606 PolarHBondContact O-N 2.94Å; G603-A607 WeakPolarHBondContact O-CB 3.29Å; G603-A607 PolarHBondContact O-N 3.48Å
604	S	96.3	Very high	95.1	Very high	70 Å²	70	51.2 Å²	51.2	49%	0.49	30%	0.303	S	S	.	.	H	α-helix	trans	-61.9	-47.6	176.3	-59.3	0	0	0	0	111.6	Y600 F601 V602 T606 A607 I608	Y600-S604 WeakPolarHBondContact O-CB 3.5Å; Y600-S604 PolarHBondContact O-N 3.33Å; Y600-S604 PolarHBondContact O-OG 3.02Å; F601-S604 WeakPolarHBondContact O-CB 3.41Å; F601-S604 PolarHBondContact O-N 2.96Å; V602-S604 PolarHBondContact O-N 3.31Å; S604-T606 VanDerWaalsContact C-N 3.35Å; S604-T606 PolarHBondContact O-N 3.25Å; S604-A607 PolarHBondContact O-N 3.23Å; S604-I608 WeakPolarHBondContact O-CD1 3.44Å; S604-I608 VanDerWaalsContact O-CG1 3.29Å; S604-I608 WeakPolarHBondContact O-CG1 3.4Å; S604-I608 PolarHBondContact O-N 3.45Å; S604-I608 VanDerWaalsContact O-N 3.09Å
605	L	96.4	Very high	95	Very high	70 Å²	70	52.6 Å²	52.6	37%	0.366	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-41.1	174.7	-68.7	177.1	0	0	0	112.2	F555 F601 V602 I608 S609	F555-L605 HydrophobicContact CE1-CB 4.26Å; F601-L605 HydrophobicContact CD1-CD1 4.08Å; F601-L605 HydrophobicContact CE1-CD1 3.54Å; F601-L605 HydrophobicContact CE1-CG 4.41Å; F601-L605 HydrophobicContact CZ-CD1 3.83Å; F601-L605 HydrophobicContact CZ-CG 4.39Å; F601-L605 PolarHBondContact O-N 3.05Å; V602-L605 PolarHBondContact O-N 2.88Å; L605-I608 PolarHBondContact O-N 3.48Å; L605-S609 WeakPolarHBondContact O-CB 3.3Å; L605-S609 PolarHBondContact O-N 3.26Å; L605-S609 PolarHBondContact O-OG 2.74Å
606	T	97	Very high	94.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-59.9	-51	178.3	-53.8	0	0	0	0	110.5	F555 W579 T583 L584 V602 G603 S604 I608 S609 G610	F555-T606 HydrophobicContact CB-CG2 3.85Å; F555-T606 WeakPolarHBondContact CB-OG1 3.18Å; F555-T606 HydrophobicContact CD1-CG2 4.4Å; F555-T606 WeakPolarHBondContact CD1-OG1 3.29Å; F555-T606 HydrophobicContact CD2-CG2 4.02Å; F555-T606 HydrophobicContact CG-CG2 3.85Å; F555-T606 WeakPolarHBondContact CG-OG1 3.46Å; W579-T606 HydrophobicContact CH2-CG2 3.97Å; W579-T606 WeakPolarHBondContact CH2-OG1 3.45Å; W579-T606 HydrophobicContact CZ3-CG2 4.33Å; T583-T606 HydrophobicContact CG2-CG2 3.68Å; L584-T606 HydrophobicContact CD2-CG2 3.98Å; L584-T606 HydrophobicContact CG-CG2 3.86Å; V602-T606 WeakPolarHBondContact O-CB 3.38Å; V602-T606 PolarHBondContact O-N 3.41Å; V602-T606 PolarHBondContact O-OG1 3.41Å; G603-T606 WeakPolarHBondContact O-CB 3.44Å; G603-T606 PolarHBondContact O-N 2.94Å; S604-T606 VanDerWaalsContact C-N 3.35Å; S604-T606 PolarHBondContact O-N 3.25Å; T606-I608 PolarHBondContact O-N 3.22Å; T606-S609 PolarHBondContact O-N 3.34Å; T606-S609 PolarHBondContact O-OG 3.39Å; T606-G610 PolarHBondContact O-N 3.38Å
607	A	96.8	Very high	94.7	Very high	40 Å²	40	53.3 Å²	53.3	33%	0.331	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-46.3	-180	0	0	0	0	0	112.3	T583 G603 S604 S609 G610 C611	T583-A607 HydrophobicContact CG2-CB 4.07Å; G603-A607 WeakPolarHBondContact O-CB 3.29Å; G603-A607 PolarHBondContact O-N 3.48Å; S604-A607 PolarHBondContact O-N 3.23Å; A607-S609 VanDerWaalsContact C-N 3.33Å; A607-S609 PolarHBondContact O-N 3.42Å; A607-G610 PolarHBondContact O-N 3.27Å; A607-C611 PolarHBondContact O-N 2.74Å; A607-C611 VanDerWaalsContact O-N 3.09Å; A607-C611 PolarHBondContact O-SG 3.39Å
608	I	96.5	Very high	94.6	Very high	104 Å²	104	56 Å²	56	53%	0.533	32%	0.323	S	S	.	.	H	α-helix	trans	-59.3	-45.2	176.6	-68	165.9	0	0	0	110.6	S604 L605 T606 G610 C611 I612	S604-I608 WeakPolarHBondContact O-CD1 3.44Å; S604-I608 VanDerWaalsContact O-CG1 3.29Å; S604-I608 WeakPolarHBondContact O-CG1 3.4Å; S604-I608 PolarHBondContact O-N 3.45Å; S604-I608 VanDerWaalsContact O-N 3.09Å; L605-I608 PolarHBondContact O-N 3.48Å; T606-I608 PolarHBondContact O-N 3.22Å; I608-G610 PolarHBondContact O-N 2.71Å; I608-C611 PolarHBondContact O-N 3.04Å; I608-I612 HydrophobicContact CG2-CD1 3.96Å; I608-I612 WeakPolarHBondContact O-CG1 3.32Å; I608-I612 PolarHBondContact O-N 3.47Å; I608-I612 VanDerWaalsContact O-N 3.13Å
609	S	95.8	Very high	94.6	Very high	27 Å²	27	57.2 Å²	57.2	19%	0.189	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-38.3	179.1	79	0	0	0	0	112.9	F555 L584 L605 T606 A607 I612 V613	F555-S609 WeakPolarHBondContact CE2-OG 3.49Å; F555-S609 WeakPolarHBondContact CZ-OG 3.29Å; L584-S609 WeakPolarHBondContact CD2-OG 3.42Å; L605-S609 WeakPolarHBondContact O-CB 3.3Å; L605-S609 PolarHBondContact O-N 3.26Å; L605-S609 PolarHBondContact O-OG 2.74Å; T606-S609 PolarHBondContact O-N 3.34Å; T606-S609 PolarHBondContact O-OG 3.39Å; A607-S609 VanDerWaalsContact C-N 3.33Å; A607-S609 PolarHBondContact O-N 3.42Å; S609-I612 PolarHBondContact O-N 2.99Å; S609-V613 WeakPolarHBondContact O-CG2 3.37Å; S609-V613 PolarHBondContact O-N 2.64Å
610	G	95.9	Very high	94.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-45.5	176.6	0	0	0	0	0	112.6	L584 T606 A607 I608 I612 V613 T614	L584-G610 CarbonylContact O-C 3.52Å; L584-G610 WeakPolarHBondContact O-CA 3.34Å; T606-G610 PolarHBondContact O-N 3.38Å; A607-G610 PolarHBondContact O-N 3.27Å; I608-G610 PolarHBondContact O-N 2.71Å; G610-I612 VanDerWaalsContact C-N 3.31Å; G610-I612 PolarHBondContact O-N 2.87Å; G610-V613 PolarHBondContact O-N 3.32Å; G610-T614 WeakPolarHBondContact O-CB 3.41Å; G610-T614 WeakPolarHBondContact O-CG2 3.38Å; G610-T614 PolarHBondContact O-N 2.9Å; G610-T614 PolarHBondContact O-OG1 3.17Å
611	C	95.4	Very high	94	Very high	74 Å²	74	56.8 Å²	56.8	50%	0.5	33%	0.333	S	S	.	.	H	α-helix	trans	-60.1	-38.2	174	-69.5	0	0	0	0	112.6	A607 I608 T614 G615	A607-C611 PolarHBondContact O-N 2.74Å; A607-C611 VanDerWaalsContact O-N 3.09Å; A607-C611 PolarHBondContact O-SG 3.39Å; I608-C611 PolarHBondContact O-N 3.04Å; C611-T614 PolarHBondContact O-OG1 2.82Å; C611-G615 WeakPolarHBondContact O-CA 3.39Å; C611-G615 PolarHBondContact O-N 3.49Å
612	I	94.9	Very high	93.7	Very high	98 Å²	98	52.1 Å²	52.1	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-68.3	-49.7	175.9	-66.4	165.1	0	0	0	111	I608 S609 G610 T614 G615 L616	I608-I612 HydrophobicContact CG2-CD1 3.96Å; I608-I612 WeakPolarHBondContact O-CG1 3.32Å; I608-I612 PolarHBondContact O-N 3.47Å; I608-I612 VanDerWaalsContact O-N 3.13Å; S609-I612 PolarHBondContact O-N 2.99Å; G610-I612 VanDerWaalsContact C-N 3.31Å; G610-I612 PolarHBondContact O-N 2.87Å; I612-T614 PolarHBondContact O-N 3.19Å; I612-G615 PolarHBondContact O-N 3.28Å; I612-L616 HydrophobicContact CG2-CD1 4.26Å; I612-L616 WeakPolarHBondContact O-CG 3.23Å; I612-L616 PolarHBondContact O-N 3.25Å
613	V	93.3	Very high	93.5	Very high	29 Å²	29	55.6 Å²	55.6	18%	0.176	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-44.7	-177.8	168	0	0	0	0	111.7	L544 L547 L548 S609 G610	L544-V613 HydrophobicContact CD1-CG1 3.71Å; L547-V613 HydrophobicContact CB-CG1 3.84Å; L547-V613 HydrophobicContact CD1-CG1 4.47Å; L548-V613 HydrophobicContact CD2-CG1 3.9Å; L548-V613 HydrophobicContact CG-CG1 4.07Å; S609-V613 WeakPolarHBondContact O-CG2 3.37Å; S609-V613 PolarHBondContact O-N 2.64Å; G610-V613 PolarHBondContact O-N 3.32Å
614	T	91.7	Very high	93.1	Very high	36 Å²	36	56.4 Å²	56.4	22%	0.221	34%	0.343	C	S	.	.	H	α-helix	trans	-69.7	-41.1	176.3	54.4	0	0	0	0	112	G610 C611 I612 L616 A617 I618	G610-T614 WeakPolarHBondContact O-CB 3.41Å; G610-T614 WeakPolarHBondContact O-CG2 3.38Å; G610-T614 PolarHBondContact O-N 2.9Å; G610-T614 PolarHBondContact O-OG1 3.17Å; C611-T614 PolarHBondContact O-OG1 2.82Å; I612-T614 PolarHBondContact O-N 3.19Å; T614-L616 VanDerWaalsContact C-N 3.28Å; T614-L616 PolarHBondContact O-N 3.33Å; T614-A617 PolarHBondContact O-N 3.14Å; T614-I618 WeakPolarHBondContact O-CG1 3.34Å; T614-I618 PolarHBondContact O-N 2.92Å; T614-I618 VanDerWaalsContact O-N 3.14Å
615	G	92.6	Very high	92.8	Very high	40 Å²	40	57 Å²	57	41%	0.412	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-28.8	177.7	0	0	0	0	0	114.5	C611 I612 P619	C611-G615 WeakPolarHBondContact O-CA 3.39Å; C611-G615 PolarHBondContact O-N 3.49Å; I612-G615 PolarHBondContact O-N 3.28Å; G615-P619 WeakPolarHBondContact O-CD 3.21Å; G615-P619 VanDerWaalsContact O-CG 3.31Å; G615-P619 WeakPolarHBondContact O-CG 3.49Å
616	L	90.1	Very high	92.6	Very high	115 Å²	115	56.9 Å²	56.9	60%	0.602	34%	0.337	S	S	*	.	H	α-helix	trans	-75	-37.6	173.6	-72.1	171.2	0	0	0	113	I612 T614 I620	I612-L616 HydrophobicContact CG2-CD1 4.26Å; I612-L616 WeakPolarHBondContact O-CG 3.23Å; I612-L616 PolarHBondContact O-N 3.25Å; T614-L616 VanDerWaalsContact C-N 3.28Å; T614-L616 PolarHBondContact O-N 3.33Å; L616-I620 WeakPolarHBondContact O-CD1 3.29Å; L616-I620 WeakPolarHBondContact O-CG1 3.05Å
617	A	88.2	Confident	92.1	Very high	14 Å²	14	58.8 Å²	58.8	12%	0.116	35%	0.348	C	S	.	.	H	α-helix	trans	-81.3	-38.1	-173.5	0	0	0	0	0	113.7	L544 T614 I620 V621	L544-A617 HydrophobicContact CB-CB 4.06Å; L544-A617 HydrophobicContact CD1-CB 3.86Å; L544-A617 HydrophobicContact CD2-CB 3.81Å; L544-A617 HydrophobicContact CG-CB 4.11Å; T614-A617 PolarHBondContact O-N 3.14Å; A617-I620 PolarHBondContact O-N 3.33Å; A617-V621 PolarHBondContact O-N 3.45Å
618	I	91.5	Very high	91.6	Very high	118 Å²	118	57.9 Å²	57.9	61%	0.605	34%	0.336	S	S	*	.	H	α-helix	trans	-58.6	-46	-175.8	-68	164.2	0	0	0	112.7	T614 I620 V621 G622	T614-I618 WeakPolarHBondContact O-CG1 3.34Å; T614-I618 PolarHBondContact O-N 2.92Å; T614-I618 VanDerWaalsContact O-N 3.14Å; I618-I620 VanDerWaalsContact C-N 3.3Å; I618-I620 PolarHBondContact O-N 2.89Å; I618-V621 PolarHBondContact O-N 2.77Å; I618-G622 PolarHBondContact O-N 3.37Å
619	P	92.5	Very high	91.2	Very high	81 Å²	81	58 Å²	58	53%	0.526	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-33.1	178	-24.7	35.6	0	0	0	113.8	G615 G622 N623	G615-P619 WeakPolarHBondContact O-CD 3.21Å; G615-P619 VanDerWaalsContact O-CG 3.31Å; G615-P619 WeakPolarHBondContact O-CG 3.49Å; P619-G622 PolarHBondContact O-N 3.13Å; P619-N623 WeakPolarHBondContact O-CB 3.4Å; P619-N623 PolarHBondContact O-N 3.47Å
620	I	88.8	Confident	90.8	Very high	82 Å²	82	61.5 Å²	61.5	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-69	-50.3	-179.3	-57.6	171	0	0	0	109.9	E540 L616 A617 I618 G622 N623 N624	E540-I620 HydrophobicContact CB-CG2 4.28Å; E540-I620 HydrophobicContact CG-CG2 3.91Å; L616-I620 WeakPolarHBondContact O-CD1 3.29Å; L616-I620 WeakPolarHBondContact O-CG1 3.05Å; A617-I620 PolarHBondContact O-N 3.33Å; I618-I620 VanDerWaalsContact C-N 3.3Å; I618-I620 PolarHBondContact O-N 2.89Å; I620-G622 VanDerWaalsContact C-N 3.3Å; I620-G622 PolarHBondContact O-N 2.98Å; I620-N623 PolarHBondContact O-N 3.11Å; I620-N624 PolarHBondContact O-N 2.91Å; I620-N624 VanDerWaalsContact O-N 3.09Å
621	V	89.9	Confident	90.2	Very high	37 Å²	37	62.9 Å²	62.9	22%	0.224	35%	0.348	C	S	.	.	H	α-helix	trans	-62.4	-39.2	174.9	-178.3	0	0	0	0	110.8	L541 A617 I618 N624 F625	L541-V621 HydrophobicContact CD2-CG2 4.08Å; L541-V621 HydrophobicContact CG-CG2 4.37Å; A617-V621 PolarHBondContact O-N 3.45Å; I618-V621 PolarHBondContact O-N 2.77Å; V621-N624 PolarHBondContact O-N 3.04Å; V621-F625 WeakPolarHBondContact O-CB 3.42Å; V621-F625 PolarHBondContact O-N 3.29Å
622	G	91.8	Very high	89.6	Confident	37 Å²	37	60.7 Å²	60.7	38%	0.381	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-40	176.2	0	0	0	0	0	113.9	I618 P619 I620 F625 N626	I618-G622 PolarHBondContact O-N 3.37Å; P619-G622 PolarHBondContact O-N 3.13Å; I620-G622 VanDerWaalsContact C-N 3.3Å; I620-G622 PolarHBondContact O-N 2.98Å; G622-F625 PolarHBondContact O-N 3.5Å; G622-N626 VanDerWaalsContact O-CB 3.28Å; G622-N626 WeakPolarHBondContact O-CB 3.4Å; G622-N626 PolarHBondContact O-N 3.49Å
623	N	91.5	Very high	89.2	Confident	83 Å²	83	61.8 Å²	61.8	44%	0.444	33%	0.332	S	S	.	.	H	α-helix	trans	-69.1	-41.6	176.5	-173.3	33.9	0	0	0	111.9	P619 I620 N626 T627	P619-N623 WeakPolarHBondContact O-CB 3.4Å; P619-N623 PolarHBondContact O-N 3.47Å; I620-N623 PolarHBondContact O-N 3.11Å; N623-N626 PolarHBondContact O-N 2.79Å; N623-T627 WeakPolarHBondContact O-CB 3.44Å; N623-T627 PolarHBondContact O-N 2.83Å; N623-T627 PolarHBondContact O-OG1 3.42Å
624	N	88.5	Confident	88.8	Confident	30 Å²	30	64.9 Å²	64.9	16%	0.16	35%	0.348	C	S	.	.	H	α-helix	trans	-56.3	-51.8	169.8	-77.7	-18	0	0	0	110	T533 S537 E540 I620 V621 N626 T627 Y628	T533-N624 HydrophobicContact CG2-CB 4.05Å; S537-N624 PolarHBondContact OG-ND2 3.09Å; E540-N624 PolarHBondContact OE1-ND2 3.43Å; I620-N624 PolarHBondContact O-N 2.91Å; I620-N624 VanDerWaalsContact O-N 3.09Å; V621-N624 PolarHBondContact O-N 3.04Å; N624-N626 PolarHBondContact O-N 2.83Å; N624-T627 WeakPolarHBondContact O-CB 3.18Å; N624-T627 PolarHBondContact O-N 3.26Å; N624-Y628 WeakPolarHBondContact O-CD2 3.5Å; N624-Y628 PolarHBondContact O-N 2.79Å
625	F	90.3	Very high	88.1	Confident	82 Å²	82	65.1 Å²	65.1	36%	0.36	35%	0.346	S	S	.	.	H	α-helix	trans	-56.9	-49.1	179	-177.7	-104.9	0	0	0	112.7	V529 L530 T533 V621 G622 T627 Y628 Y629	V529-F625 HydrophobicContact CG1-CE2 4.26Å; L530-F625 HydrophobicContact CD1-CD2 4.36Å; L530-F625 HydrophobicContact CD1-CE2 4.28Å; T533-F625 HydrophobicContact CG2-CB 3.83Å; T533-F625 HydrophobicContact CG2-CD2 4.33Å; V621-F625 WeakPolarHBondContact O-CB 3.42Å; V621-F625 PolarHBondContact O-N 3.29Å; G622-F625 PolarHBondContact O-N 3.5Å; F625-T627 VanDerWaalsContact C-N 3.27Å; F625-T627 PolarHBondContact O-N 3.45Å; F625-Y628 PolarHBondContact O-N 3.34Å; F625-Y629 WeakPolarHBondContact O-CB 3.33Å; F625-Y629 PolarHBondContact O-N 3.26Å
626	N	91.9	Very high	87.6	Confident	68 Å²	68	66.2 Å²	66.2	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-58	-40.5	179.3	-170.5	-4	0	0	0	111.2	G622 N623 N624 Y629 K630	G622-N626 VanDerWaalsContact O-CB 3.28Å; G622-N626 WeakPolarHBondContact O-CB 3.4Å; G622-N626 PolarHBondContact O-N 3.49Å; N623-N626 PolarHBondContact O-N 2.79Å; N624-N626 PolarHBondContact O-N 2.83Å; N626-Y629 PolarHBondContact O-N 3.44Å; N626-K630 PolarHBondContact ND2-NZ 3.21Å; N626-K630 WeakPolarHBondContact O-CB 3.5Å; N626-K630 WeakPolarHBondContact O-CD 3.45Å; N626-K630 VanDerWaalsContact O-CG 3.23Å; N626-K630 WeakPolarHBondContact O-CG 3.27Å; N626-K630 PolarHBondContact O-N 2.83Å; N626-K630 WeakPolarHBondContact OD1-CD 3.27Å; N626-K630 WeakPolarHBondContact OD1-CE 3.18Å; N626-K630 PolarHBondContact OD1-NZ 3.44Å
627	T	87	Confident	87.4	Confident	40 Å²	40	66 Å²	66	25%	0.245	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-51.1	177.5	-59.5	0	0	0	0	112	N623 N624 F625 Y629 K630 Y631	N623-T627 WeakPolarHBondContact O-CB 3.44Å; N623-T627 PolarHBondContact O-N 2.83Å; N623-T627 PolarHBondContact O-OG1 3.42Å; N624-T627 WeakPolarHBondContact O-CB 3.18Å; N624-T627 PolarHBondContact O-N 3.26Å; F625-T627 VanDerWaalsContact C-N 3.27Å; F625-T627 PolarHBondContact O-N 3.45Å; T627-Y629 VanDerWaalsContact C-N 3.34Å; T627-Y629 PolarHBondContact O-N 3.1Å; T627-K630 PolarHBondContact O-N 3.43Å; T627-Y631 HydrophobicContact CG2-CE1 4.28Å; T627-Y631 HydrophobicContact CG2-CE2 3.76Å; T627-Y631 PolarHBondContact O-N 3.11Å; T627-Y631 VanDerWaalsContact O-N 3.14Å
628	Y	84.9	Confident	87.1	Confident	21 Å²	21	70.1 Å²	70.1	8%	0.082	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-36.8	176.4	-73.4	-74.5	0	0	0	112.7	T248 L252 L532 T533 K536 N624 F625 Y631 M632	T248-Y628 HydrophobicContact CG2-CD1 4.15Å; T248-Y628 HydrophobicContact CG2-CE1 3.27Å; L252-Y628 HydrophobicContact CD1-CD1 4.13Å; L252-Y628 HydrophobicContact CG-CD1 4.48Å; L532-Y628 HydrophobicContact CD2-CD1 3.82Å; L532-Y628 HydrophobicContact CD2-CE1 3.5Å; L532-Y628 HydrophobicContact CG-CD1 4.25Å; L532-Y628 HydrophobicContact CG-CE1 3.81Å; T533-Y628 HydrophobicContact CG2-CD2 4.46Å; K536-Y628 HydrophobicContact CB-CE2 3.95Å; K536-Y628 WeakPolarHBondContact CB-OH 3.26Å; K536-Y628 HydrophobicContact CG-CE2 4.11Å; K536-Y628 WeakPolarHBondContact CG-OH 3.38Å; N624-Y628 WeakPolarHBondContact O-CD2 3.5Å; N624-Y628 PolarHBondContact O-N 2.79Å; F625-Y628 PolarHBondContact O-N 3.34Å; Y628-Y631 PolarHBondContact O-N 3.15Å; Y628-M632 PolarHBondContact O-N 3.27Å; Y628-M632 VanDerWaalsContact O-N 3.07Å
629	Y	88.3	Confident	86.5	Confident	106 Å²	106	66.2 Å²	66.2	42%	0.416	34%	0.337	S	S	.	.	H	α-helix	trans	-65.8	-42.3	176.1	-177.4	-108.4	0	0	0	112.2	F625 N626 T627 Y631 M632 K633	F625-Y629 WeakPolarHBondContact O-CB 3.33Å; F625-Y629 PolarHBondContact O-N 3.26Å; N626-Y629 PolarHBondContact O-N 3.44Å; T627-Y629 VanDerWaalsContact C-N 3.34Å; T627-Y629 PolarHBondContact O-N 3.1Å; Y629-Y631 VanDerWaalsContact C-N 3.35Å; Y629-Y631 PolarHBondContact O-N 2.94Å; Y629-M632 HydrophobicContact CD2-CE 3.61Å; Y629-M632 HydrophobicContact CE2-CE 3.55Å; Y629-M632 PolarHBondContact O-N 2.96Å; Y629-K633 WeakPolarHBondContact O-CB 3.49Å; Y629-K633 PolarHBondContact O-N 3.21Å
630	K	87.6	Confident	86.1	Confident	101 Å²	101	68.6 Å²	68.6	44%	0.439	34%	0.339	S	S	.	.	H	α-helix	trans	-57.6	-44.4	172.1	-79	162.7	174.1	159.7	0	111.6	N626 T627 M632 K633 N634	N626-K630 PolarHBondContact ND2-NZ 3.21Å; N626-K630 WeakPolarHBondContact O-CB 3.5Å; N626-K630 WeakPolarHBondContact O-CD 3.45Å; N626-K630 VanDerWaalsContact O-CG 3.23Å; N626-K630 WeakPolarHBondContact O-CG 3.27Å; N626-K630 PolarHBondContact O-N 2.83Å; N626-K630 WeakPolarHBondContact OD1-CD 3.27Å; N626-K630 WeakPolarHBondContact OD1-CE 3.18Å; N626-K630 PolarHBondContact OD1-NZ 3.44Å; T627-K630 PolarHBondContact O-N 3.43Å; K630-M632 PolarHBondContact O-N 3.18Å; K630-K633 PolarHBondContact O-N 3.3Å; K630-N634 WeakPolarHBondContact O-CB 3.09Å; K630-N634 VanDerWaalsContact O-CG 3.27Å; K630-N634 PolarHBondContact O-N 2.74Å; K630-N634 PolarHBondContact O-OD1 2.9Å
631	Y	83.2	Confident	86	Confident	28 Å²	28	70.7 Å²	70.7	11%	0.11	34%	0.342	C	S	.	.	H	α-helix	trans	-62.6	-43	176.8	-60.6	-20.6	0	0	0	112.6	E245 T248 K249 L252 T627 Y628 Y629 Q635	E245-Y631 VanDerWaalsContact CD-OH 3.26Å; E245-Y631 VanDerWaalsContact CG-OH 3.28Å; E245-Y631 WeakPolarHBondContact CG-OH 3.42Å; E245-Y631 WeakPolarHBondContact OE1-CE1 3.16Å; E245-Y631 VanDerWaalsContact OE1-CZ 3.26Å; E245-Y631 PolarHBondContact OE1-OH 3.18Å; T248-Y631 HydrophobicContact CG2-CE2 4.2Å; K249-Y631 HydrophobicContact CG-CD2 4.13Å; K249-Y631 HydrophobicContact CG-CG 4.12Å; L252-Y631 HydrophobicContact CD1-CD2 4.37Å; T627-Y631 HydrophobicContact CG2-CE1 4.28Å; T627-Y631 HydrophobicContact CG2-CE2 3.76Å; T627-Y631 PolarHBondContact O-N 3.11Å; T627-Y631 VanDerWaalsContact O-N 3.14Å; Y628-Y631 PolarHBondContact O-N 3.15Å; Y629-Y631 VanDerWaalsContact C-N 3.35Å; Y629-Y631 PolarHBondContact O-N 2.94Å; Y631-Q635 PolarHBondContact O-N 3.37Å; Y631-Q635 VanDerWaalsContact O-N 3.11Å
632	M	83.2	Confident	85.8	Confident	29 Å²	29	73.6 Å²	73.6	14%	0.143	36%	0.356	C	S	.	.	H	α-helix	trans	-63.6	-42.7	174	-175.9	-163.1	66.5	0	0	112.1	R525 V529 Y628 Y629 K630 Q635 L636	R525-M632 HydrophobicContact CB-SD 3.88Å; V529-M632 HydrophobicContact CG2-CB 3.78Å; V529-M632 HydrophobicContact CG2-CG 4.08Å; V529-M632 HydrophobicContact CG2-SD 3.79Å; Y628-M632 PolarHBondContact O-N 3.27Å; Y628-M632 VanDerWaalsContact O-N 3.07Å; Y629-M632 HydrophobicContact CD2-CE 3.61Å; Y629-M632 HydrophobicContact CE2-CE 3.55Å; Y629-M632 PolarHBondContact O-N 2.96Å; K630-M632 PolarHBondContact O-N 3.18Å; M632-Q635 PolarHBondContact O-N 3.14Å; M632-L636 HydrophobicContact CE-CD1 4.2Å; M632-L636 HydrophobicContact CG-CD1 4.14Å; M632-L636 WeakPolarHBondContact O-CG 3.39Å; M632-L636 PolarHBondContact O-N 2.92Å; M632-L636 HydrophobicContact SD-CD1 4.48Å
633	K	87.2	Confident	85.4	Confident	120 Å²	120	77 Å²	77	52%	0.522	36%	0.36	S	S	.	.	H	α-helix	trans	-63.4	-45.2	179.3	-174.4	175.6	179	178.8	0	111.3	Y629 K630 Q635 L636 M637	Y629-K633 WeakPolarHBondContact O-CB 3.49Å; Y629-K633 PolarHBondContact O-N 3.21Å; K630-K633 PolarHBondContact O-N 3.3Å; K633-Q635 VanDerWaalsContact C-N 3.35Å; K633-Q635 PolarHBondContact O-N 3.39Å; K633-L636 WeakPolarHBondContact O-CB 3.32Å; K633-L636 PolarHBondContact O-N 2.81Å; K633-M637 WeakPolarHBondContact O-CG 3.47Å; K633-M637 PolarHBondContact O-N 3.2Å; K633-M637 VanDerWaalsContact O-N 3.1Å
634	N	84.9	Confident	85.3	Confident	95 Å²	95	76.6 Å²	76.6	51%	0.508	36%	0.361	S	S	.	.	H	α-helix	trans	-61.5	-43.9	177.1	-69.4	-1.8	0	0	0	111.2	K630 L636 M637 E638	K630-N634 WeakPolarHBondContact O-CB 3.09Å; K630-N634 VanDerWaalsContact O-CG 3.27Å; K630-N634 PolarHBondContact O-N 2.74Å; K630-N634 PolarHBondContact O-OD1 2.9Å; N634-L636 VanDerWaalsContact C-N 3.35Å; N634-L636 PolarHBondContact O-N 3.18Å; N634-M637 CarbonylContact O-C 3.59Å; N634-M637 WeakPolarHBondContact O-CA 3.48Å; N634-M637 WeakPolarHBondContact O-CB 3.32Å; N634-M637 PolarHBondContact O-N 2.68Å; N634-E638 PolarHBondContact O-N 3.13Å
635	Q	77.3	Confident	85.3	Confident	41 Å²	41	78.4 Å²	78.4	19%	0.192	37%	0.37	C	S	.	.	H	α-helix	trans	-63.2	-36.2	174.2	-82	-94.7	-63.6	0	0	113.5	F253 Y631 M632 K633 M637 E638 D639	F253-Q635 HydrophobicContact CD1-CG 4.32Å; F253-Q635 HydrophobicContact CE1-CG 3.42Å; F253-Q635 VanDerWaalsContact CE1-CG 3.42Å; F253-Q635 HydrophobicContact CE2-CG 4.1Å; F253-Q635 HydrophobicContact CZ-CG 3.28Å; Y631-Q635 PolarHBondContact O-N 3.37Å; Y631-Q635 VanDerWaalsContact O-N 3.11Å; M632-Q635 PolarHBondContact O-N 3.14Å; K633-Q635 VanDerWaalsContact C-N 3.35Å; K633-Q635 PolarHBondContact O-N 3.39Å; Q635-M637 PolarHBondContact O-N 3.41Å; Q635-E638 PolarHBondContact NE2-OE2 3.48Å; Q635-E638 PolarHBondContact O-N 3.43Å; Q635-D639 VanDerWaalsContact O-CB 3.25Å; Q635-D639 WeakPolarHBondContact O-CB 3.32Å; Q635-D639 PolarHBondContact O-N 2.77Å
636	L	81.9	Confident	85.1	Confident	63 Å²	63	81.8 Å²	81.8	33%	0.33	38%	0.381	S	S	.	.	H	α-helix	trans	-65.1	-26.2	172.2	-76.6	163.9	0	0	0	112.5	R525 M632 K633 N634 K640	R525-L636 VanDerWaalsContact NH1-CD2 3.3Å; M632-L636 HydrophobicContact CE-CD1 4.2Å; M632-L636 HydrophobicContact CG-CD1 4.14Å; M632-L636 WeakPolarHBondContact O-CG 3.39Å; M632-L636 PolarHBondContact O-N 2.92Å; M632-L636 HydrophobicContact SD-CD1 4.48Å; K633-L636 WeakPolarHBondContact O-CB 3.32Å; K633-L636 PolarHBondContact O-N 2.81Å; N634-L636 VanDerWaalsContact C-N 3.35Å; N634-L636 PolarHBondContact O-N 3.18Å; L636-K640 WeakPolarHBondContact O-CD 3.24Å; L636-K640 VanDerWaalsContact O-CG 3.24Å; L636-K640 WeakPolarHBondContact O-CG 3.32Å; L636-K640 PolarHBondContact O-N 3.46Å
637	M	85.1	Confident	84.9	Confident	111 Å²	111	85.6 Å²	85.6	55%	0.547	39%	0.394	S	S	.	.	H	α-helix	trans	-79.9	-40.5	172.8	-62.7	-62.9	-74.9	0	0	111.8	K633 N634 Q635 K640 Y641	K633-M637 WeakPolarHBondContact O-CG 3.47Å; K633-M637 PolarHBondContact O-N 3.2Å; K633-M637 VanDerWaalsContact O-N 3.1Å; N634-M637 CarbonylContact O-C 3.59Å; N634-M637 WeakPolarHBondContact O-CA 3.48Å; N634-M637 WeakPolarHBondContact O-CB 3.32Å; N634-M637 PolarHBondContact O-N 2.68Å; Q635-M637 PolarHBondContact O-N 3.41Å; M637-K640 WeakPolarHBondContact O-CB 3.45Å; M637-K640 PolarHBondContact O-N 2.95Å; M637-K640 VanDerWaalsContact O-N 3.15Å; M637-K640 HydrophobicContact SD-CD 4.29Å; M637-Y641 WeakPolarHBondContact O-CB 2.96Å; M637-Y641 PolarHBondContact O-N 2.93Å
638	E	82.2	Confident	85	Confident	99 Å²	99	87.7 Å²	87.7	46%	0.463	40%	0.404	S	S	.	.	H	α-helix	trans	-62.3	-44	171.7	-67	173.2	138.5	0	0	111.3	N634 Q635 K640 Y641 L642	N634-E638 PolarHBondContact O-N 3.13Å; Q635-E638 PolarHBondContact NE2-OE2 3.48Å; Q635-E638 PolarHBondContact O-N 3.43Å; E638-K640 PolarHBondContact O-N 3.32Å; E638-Y641 PolarHBondContact O-N 2.66Å; E638-L642 WeakPolarHBondContact O-CB 3.17Å; E638-L642 WeakPolarHBondContact O-CG 3.25Å; E638-L642 PolarHBondContact O-N 3.01Å
639	D	78.1	Confident	84.9	Confident	37 Å²	37	93 Å²	93	20%	0.198	43%	0.431	C	S	.	.	H	α-helix	trans	-55.3	-35.2	172.2	-118.2	-33.5	0	0	0	111.4	R525 Q635 K643	R525-D639 IonicContact CZ-OD2 3.34Å; R525-D639 IonicContact NH1-OD2 3.2Å; R525-D639 PolarHBondContact NH1-OD2 3.36Å; R525-D639 IonicContact NH2-OD2 2.69Å; R525-D639 PolarHBondContact NH2-OD2 3.47Å; Q635-D639 VanDerWaalsContact O-CB 3.25Å; Q635-D639 WeakPolarHBondContact O-CB 3.32Å; Q635-D639 PolarHBondContact O-N 2.77Å; D639-K643 VanDerWaalsContact CG-NZ 3.27Å; D639-K643 VanDerWaalsContact O-CD 3.27Å; D639-K643 WeakPolarHBondContact O-CD 3.38Å; D639-K643 WeakPolarHBondContact O-CE 3.39Å; D639-K643 WeakPolarHBondContact O-CG 3.28Å; D639-K643 PolarHBondContact O-NZ 3.5Å; D639-K643 IonicContact OD1-NZ 3.62Å; D639-K643 PolarHBondContact OD1-NZ 3.46Å
640	K	84.9	Confident	84.7	Confident	130 Å²	130	94 Å²	94	57%	0.565	44%	0.439	S	S	*	.	H	α-helix	trans	-78.8	-51.5	177.5	-76.9	170.2	-179.1	-176.5	0	110.9	L636 M637 E638 L642 K643 T644	L636-K640 WeakPolarHBondContact O-CD 3.24Å; L636-K640 VanDerWaalsContact O-CG 3.24Å; L636-K640 WeakPolarHBondContact O-CG 3.32Å; L636-K640 PolarHBondContact O-N 3.46Å; M637-K640 WeakPolarHBondContact O-CB 3.45Å; M637-K640 PolarHBondContact O-N 2.95Å; M637-K640 VanDerWaalsContact O-N 3.15Å; M637-K640 HydrophobicContact SD-CD 4.29Å; E638-K640 PolarHBondContact O-N 3.32Å; K640-L642 VanDerWaalsContact C-N 3.35Å; K640-L642 PolarHBondContact O-N 2.77Å; K640-K643 WeakPolarHBondContact O-CA 3.37Å; K640-K643 WeakPolarHBondContact O-CB 3.1Å; K640-K643 PolarHBondContact O-N 2.54Å; K640-T644 PolarHBondContact O-N 3.01Å; K640-T644 PolarHBondContact O-OG1 3.19Å
641	Y	87.2	Confident	84.4	Confident	127 Å²	127	92.5 Å²	92.5	50%	0.498	45%	0.446	S	S	.	.	H	α-helix	trans	-55.9	-46.5	-178.7	-179.9	-104.4	0	0	0	112	M637 E638 K643 T644 L645	M637-Y641 WeakPolarHBondContact O-CB 2.96Å; M637-Y641 PolarHBondContact O-N 2.93Å; E638-Y641 PolarHBondContact O-N 2.66Å; Y641-K643 PolarHBondContact O-N 2.57Å; Y641-T644 PolarHBondContact O-N 2.92Å; Y641-L645 WeakPolarHBondContact O-CB 3.49Å; Y641-L645 PolarHBondContact O-N 3.07Å
642	L	84.3	Confident	84.1	Confident	97 Å²	97	96.8 Å²	96.8	51%	0.508	48%	0.475	S	S	.	.	H	α-helix	trans	-67.4	-21.3	177	-67.2	172.7	0	0	0	113.8	E638 K640 R646	E638-L642 WeakPolarHBondContact O-CB 3.17Å; E638-L642 WeakPolarHBondContact O-CG 3.25Å; E638-L642 PolarHBondContact O-N 3.01Å; K640-L642 VanDerWaalsContact C-N 3.35Å; K640-L642 PolarHBondContact O-N 2.77Å; L642-R646 WeakPolarHBondContact O-CB 3.02Å; L642-R646 PolarHBondContact O-N 2.64Å
643	K	84.2	Confident	83	Confident	109 Å²	109	98.7 Å²	98.7	47%	0.474	50%	0.502	S	S	.	.	H	α-helix	trans	-82.8	-36.4	172.6	-71.3	176.2	-168	91.4	0	111.6	D639 K640 Y641 K647	D639-K643 VanDerWaalsContact CG-NZ 3.27Å; D639-K643 VanDerWaalsContact O-CD 3.27Å; D639-K643 WeakPolarHBondContact O-CD 3.38Å; D639-K643 WeakPolarHBondContact O-CE 3.39Å; D639-K643 WeakPolarHBondContact O-CG 3.28Å; D639-K643 PolarHBondContact O-NZ 3.5Å; D639-K643 IonicContact OD1-NZ 3.62Å; D639-K643 PolarHBondContact OD1-NZ 3.46Å; K640-K643 WeakPolarHBondContact O-CA 3.37Å; K640-K643 WeakPolarHBondContact O-CB 3.1Å; K640-K643 PolarHBondContact O-N 2.54Å; Y641-K643 PolarHBondContact O-N 2.57Å; K643-K647 WeakPolarHBondContact O-CG 3.45Å; K643-K647 PolarHBondContact O-N 3Å; K643-K647 VanDerWaalsContact O-N 3.15Å
644	T	88.8	Confident	81.2	Confident	75 Å²	75	96 Å²	96	46%	0.46	51%	0.509	S	S	.	.	H	α-helix	trans	-64.4	-55.7	171.4	-52.6	0	0	0	0	110	K640 Y641 R646 K647 D648	K640-T644 PolarHBondContact O-N 3.01Å; K640-T644 PolarHBondContact O-OG1 3.19Å; Y641-T644 PolarHBondContact O-N 2.92Å; T644-R646 PolarHBondContact O-N 2.86Å; T644-K647 WeakPolarHBondContact O-CA 3.35Å; T644-K647 WeakPolarHBondContact O-CB 3.39Å; T644-K647 PolarHBondContact O-N 3.13Å; T644-D648 PolarHBondContact O-N 2.03Å
645	L	89.5	Confident	79.5	Confident	67 Å²	67	97.7 Å²	97.7	35%	0.351	52%	0.522	S	S	.	.	H	α-helix	trans	-53.4	-35	178.5	-162.2	93.9	0	0	0	112.9	Y641 M649	Y641-L645 WeakPolarHBondContact O-CB 3.49Å; Y641-L645 PolarHBondContact O-N 3.07Å; L645-M649 WeakPolarHBondContact O-CB 3.32Å; L645-M649 WeakPolarHBondContact O-CG 3.05Å; L645-M649 PolarHBondContact O-N 2.78Å
646	R	86.9	Confident	77.8	Confident	154 Å²	154	98.6 Å²	98.6	58%	0.581	54%	0.542	S	S	*	.	H	α-helix	trans	-67.7	-46.9	173.4	-176.8	-179.6	-55.5	165.5	6	112.5	L642 T644 D648 M649 E650	L642-R646 WeakPolarHBondContact O-CB 3.02Å; L642-R646 PolarHBondContact O-N 2.64Å; T644-R646 PolarHBondContact O-N 2.86Å; R646-D648 VanDerWaalsContact C-N 3.25Å; R646-D648 PolarHBondContact O-N 3.01Å; R646-M649 PolarHBondContact O-N 2.88Å; R646-E650 WeakPolarHBondContact CD-OE1 3.21Å; R646-E650 HydrophobicContact CG-CG 4.32Å; R646-E650 WeakPolarHBondContact CG-OE1 3.47Å; R646-E650 WeakPolarHBondContact O-CB 3.45Å; R646-E650 VanDerWaalsContact O-CG 3.29Å; R646-E650 WeakPolarHBondContact O-CG 3.41Å; R646-E650 PolarHBondContact O-N 2.9Å
647	K	87.5	Confident	75.6	Confident	147 Å²	147	99.9 Å²	99.9	64%	0.639	57%	0.57	S	S	*	*	H	α-helix	trans	-59.3	-40.1	174.8	-73.4	178.1	172.9	-168.6	0	111.3	K643 T644 E650 A651	K643-K647 WeakPolarHBondContact O-CG 3.45Å; K643-K647 PolarHBondContact O-N 3Å; K643-K647 VanDerWaalsContact O-N 3.15Å; T644-K647 WeakPolarHBondContact O-CA 3.35Å; T644-K647 WeakPolarHBondContact O-CB 3.39Å; T644-K647 PolarHBondContact O-N 3.13Å; K647-E650 PolarHBondContact O-N 3.11Å; K647-A651 WeakPolarHBondContact O-CB 3.24Å; K647-A651 PolarHBondContact O-N 3.38Å
648	D	88.2	Confident	73.4	Confident	84 Å²	84	100.8 Å²	100.8	45%	0.449	58%	0.582	S	S	.	*	H	α-helix	trans	-64.6	-46.4	179.7	-51.8	-27	0	0	0	109.9	T644 R646 E650 A651 T652	T644-D648 PolarHBondContact O-N 2.03Å; R646-D648 VanDerWaalsContact C-N 3.25Å; R646-D648 PolarHBondContact O-N 3.01Å; D648-E650 PolarHBondContact O-N 3.45Å; D648-A651 PolarHBondContact O-N 3.19Å; D648-T652 PolarHBondContact O-N 2.85Å; D648-T652 PolarHBondContact O-OG1 2.76Å
649	M	83.1	Confident	71.1	Confident	134 Å²	134	106.2 Å²	106.2	66%	0.66	61%	0.605	S	S	*	*	H	α-helix	trans	-61	-40.8	172	-76.6	-176.3	164	0	0	113.5	L645 R646 G653	L645-M649 WeakPolarHBondContact O-CB 3.32Å; L645-M649 WeakPolarHBondContact O-CG 3.05Å; L645-M649 PolarHBondContact O-N 2.78Å; R646-M649 PolarHBondContact O-N 2.88Å; M649-G653 PolarHBondContact O-N 3.5Å
650	E	84.7	Confident	69	Low	127 Å²	127	110.2 Å²	110.2	59%	0.593	64%	0.636	S	S	*	*	H	α-helix	trans	-67.6	-35.7	177.7	-75	167.6	-177.9	0	0	111.7	R646 K647 D648 G654	R646-E650 WeakPolarHBondContact CD-OE1 3.21Å; R646-E650 HydrophobicContact CG-CG 4.32Å; R646-E650 WeakPolarHBondContact CG-OE1 3.47Å; R646-E650 WeakPolarHBondContact O-CB 3.45Å; R646-E650 VanDerWaalsContact O-CG 3.29Å; R646-E650 WeakPolarHBondContact O-CG 3.41Å; R646-E650 PolarHBondContact O-N 2.9Å; K647-E650 PolarHBondContact O-N 3.11Å; D648-E650 PolarHBondContact O-N 3.45Å; E650-G654 PolarHBondContact O-N 2.83Å
651	A	81.2	Confident	66.5	Low	69 Å²	69	107.7 Å²	107.7	57%	0.57	65%	0.646	S	S	*	*	H	α-helix	trans	-70.8	-47.2	174.2	0	0	0	0	0	112.1	K647 D648 G653 G654	K647-A651 WeakPolarHBondContact O-CB 3.24Å; K647-A651 PolarHBondContact O-N 3.38Å; D648-A651 PolarHBondContact O-N 3.19Å; A651-G653 VanDerWaalsContact C-N 3.31Å; A651-G653 PolarHBondContact O-N 3.01Å; A651-G654 PolarHBondContact O-N 3.05Å
652	T	76	Confident	63.9	Low	118 Å²	118	110.1 Å²	110.1	72%	0.724	67%	0.667	S	S	*	*	H	α-helix	trans	-64.6	-35	177.3	-50.8	0	0	0	0	112	D648 G654	D648-T652 PolarHBondContact O-N 2.85Å; D648-T652 PolarHBondContact O-OG1 2.76Å; T652-G654 PolarHBondContact O-N 3.23Å
653	G	59.7	Low	61.4	Low	68 Å²	68	108.1 Å²	108.1	70%	0.701	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-2.6	176.8	0	0	0	0	0	115.5	M649 A651	M649-G653 PolarHBondContact O-N 3.5Å; A651-G653 VanDerWaalsContact C-N 3.31Å; A651-G653 PolarHBondContact O-N 3.01Å
654	G	50.6	Low	59.1	Low	65 Å²	65	110 Å²	110	67%	0.67	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-6.8	-176.1	0	0	0	0	0	115.9	E650 A651 T652	E650-G654 PolarHBondContact O-N 2.83Å; A651-G654 PolarHBondContact O-N 3.05Å; T652-G654 PolarHBondContact O-N 3.23Å
655	V	48.5	Very low	56.4	Low	129 Å²	129	111.1 Å²	111.1	78%	0.782	71%	0.707	S	S	*	*	S	Bend	trans	-119.2	141.1	-168.6	-175.8	0	0	0	0	111.8
656	G	41	Very low	53.8	Low	60 Å²	60	113 Å²	113	62%	0.619	73%	0.733	S	S	*	*			trans	88.8	72.2	158.4	0	0	0	0	0	116.7	T658	G656-T658 VanDerWaalsContact C-N 3.31Å; G656-T658 PolarHBondContact O-N 3.49Å; G656-T658 VanDerWaalsContact O-N 3.09Å
657	G	35.1	Very low	51.2	Low	90 Å²	90	114.8 Å²	114.8	93%	0.928	75%	0.748	S	S	*	*			trans	-80	63.7	168.2	0	0	0	0	0	114
658	T	39.2	Very low	48.7	Very low	130 Å²	130	118.1 Å²	118.1	80%	0.798	76%	0.762	S	S	*	*			trans	-134.4	153.5	176.2	32.8	0	0	0	0	112.7	G656	G656-T658 VanDerWaalsContact C-N 3.31Å; G656-T658 PolarHBondContact O-N 3.49Å; G656-T658 VanDerWaalsContact O-N 3.09Å
659	K	33.6	Very low	46.1	Very low	214 Å²	214	117.7 Å²	117.7	93%	0.93	78%	0.777	S	S	*	*			trans	-107.2	101.8	-175.5	-58.5	174.5	-170.5	168.3	0	111.7
660	S	35.4	Very low	43.6	Very low	121 Å²	121	115.2 Å²	115.2	85%	0.846	79%	0.786	S	S	*	*			trans	-166.1	147.3	154.9	43.1	0	0	0	0	108.4
661	G	32.2	Very low	41.2	Very low	77 Å²	77	115.1 Å²	115.1	79%	0.794	79%	0.789	S	S	*	*			trans	-91.9	146.1	-174.8	0	0	0	0	0	112.7
662	L	33.1	Very low	39.3	Very low	177 Å²	177	117.9 Å²	117.9	93%	0.927	80%	0.801	S	S	*	*			trans	-145.1	141.1	150.7	-157.3	66.3	0	0	0	108.4
663	G	30.5	Very low	37.6	Very low	56 Å²	56	119.6 Å²	119.6	58%	0.577	81%	0.805	S	S	*	*			trans	-96.2	-160	172.8	0	0	0	0	0	112
664	V	35.8	Very low	36.8	Very low	148 Å²	148	122.1 Å²	122.1	90%	0.897	81%	0.809	S	S	*	*			trans	80.2	149.3	175.7	-168.5	0	0	0	0	114.9
665	A	31.7	Very low	35.9	Very low	98 Å²	98	123 Å²	123	81%	0.81	82%	0.819	S	S	*	*			trans	69.6	69.8	168.4	0	0	0	0	0	119.1
666	A	36	Very low	35.4	Very low	108 Å²	108	127.5 Å²	127.5	89%	0.893	82%	0.821	S	S	*	*			trans	-143.3	18.7	158.4	0	0	0	0	0	114.8
667	E	32.1	Very low	35.2	Very low	191 Å²	191	134.2 Å²	134.2	89%	0.893	83%	0.834	S	S	*	*			trans	-115.3	79.1	-177.1	-169.3	170.7	-140.3	0	0	111.9
668	K	34.8	Very low	35.1	Very low	217 Å²	217	135.4 Å²	135.4	94%	0.943	83%	0.825	S	S	*	*			trans	-168.8	91.3	167.5	-107.8	158.7	-172.6	174.6	0	109.8
669	G	33.1	Very low	34.9	Very low	74 Å²	74	140.6 Å²	140.6	76%	0.763	83%	0.83	S	S	*	*			trans	157.8	70.4	-179.5	0	0	0	0	0	113.7	L671	G669-L671 PolarHBondContact O-N 2.99Å
670	G	30.9	Very low	34.8	Very low	83 Å²	83	138 Å²	138	86%	0.856	83%	0.826	S	S	*	*			trans	-74.1	110.8	-177.8	0	0	0	0	0	113.4
671	L	35.4	Very low	35	Very low	125 Å²	125	138.8 Å²	138.8	65%	0.654	82%	0.82	S	S	*	*			trans	-119.4	130.1	158.7	-94.9	83.2	0	0	0	109.9	G669 L673	G669-L671 PolarHBondContact O-N 2.99Å; L671-L673 PolarHBondContact O-N 3.36Å; L671-L673 VanDerWaalsContact O-N 3.16Å
672	P	40.8	Very low	35	Very low	127 Å²	127	142.7 Å²	142.7	83%	0.825	82%	0.822	S	S	*	*			trans	-80	97.8	-179.8	31.4	-33.7	0	0	0	111.6
673	L	41.1	Very low	35.4	Very low	154 Å²	154	145.2 Å²	145.2	81%	0.806	82%	0.819	S	S	*	*			trans	-65.8	132.6	169.2	-74.6	171.4	0	0	0	111	L671 G675	L671-L673 PolarHBondContact O-N 3.36Å; L671-L673 VanDerWaalsContact O-N 3.16Å; L673-G675 PolarHBondContact O-N 3.4Å; L673-G675 VanDerWaalsContact O-N 3.11Å
674	P	42.2	Very low	35.7	Very low	121 Å²	121	153.9 Å²	153.9	79%	0.786	84%	0.835	S	S	*	*			trans	-64.7	112	173.3	-21	32.9	0	0	0	111.1	R676	P674-R676 PolarHBondContact O-N 3.41Å
675	G	31.1	Very low	35.7	Very low	84 Å²	84	153.8 Å²	153.8	87%	0.866	83%	0.828	S	S	*	*			trans	-66	94.6	-171.7	0	0	0	0	0	114.5	L673	L673-G675 PolarHBondContact O-N 3.4Å; L673-G675 VanDerWaalsContact O-N 3.11Å
676	R	38.1	Very low	36	Very low	223 Å²	223	157.2 Å²	157.2	84%	0.842	83%	0.83	S	S	*	*			trans	-98.2	108.2	166.8	-150	178.2	-161.8	-174.4	7.2	108.7	P674	P674-R676 PolarHBondContact O-N 3.41Å
677	K	36.8	Very low	35.8	Very low	201 Å²	201	163.2 Å²	163.2	87%	0.874	83%	0.83	S	S	*	*			trans	-54.9	124.5	-177.8	-67	-175.9	179.5	-178.5	0	110.8	R679	K677-R679 PolarHBondContact O-N 2.81Å
678	P	32.4	Very low	35.9	Very low	115 Å²	115	157.9 Å²	157.9	75%	0.747	83%	0.827	S	S	*	*			trans	-68.8	128	173.1	28	-32.9	0	0	0	109.9	N680	P678-N680 PolarHBondContact O-N 2.76Å
679	R	35.8	Very low	35.8	Very low	239 Å²	239	152.6 Å²	152.6	90%	0.902	82%	0.817	S	S	*	*			trans	-75.4	107.1	169.6	-98.6	-178.4	165.2	148.7	-3.7	108.9	K677 I681	K677-R679 PolarHBondContact O-N 2.81Å; R679-I681 PolarHBondContact O-N 2.85Å
680	N	31.6	Very low	35.7	Very low	158 Å²	158	159.1 Å²	159.1	85%	0.845	82%	0.824	S	S	*	*			trans	-60.8	105.9	170	-84.3	-16.2	0	0	0	110.2	P678	P678-N680 PolarHBondContact O-N 2.76Å
681	I	38.7	Very low	35.8	Very low	139 Å²	139	162.8 Å²	162.8	71%	0.713	82%	0.823	S	S	*	*			trans	-95.1	109.8	166.1	-65.6	177.6	0	0	0	107.1	R679 R683	R679-I681 PolarHBondContact O-N 2.85Å; I681-R683 PolarHBondContact O-N 3.33Å
682	N	34.2	Very low	35.8	Very low	159 Å²	159	162.1 Å²	162.1	85%	0.85	83%	0.829	S	S	*	*			trans	-58.4	108.2	173	-89.3	-33.2	0	0	0	110.5
683	R	39.7	Very low	35.3	Very low	230 Å²	230	165 Å²	165	87%	0.868	83%	0.828	S	S	*	*			trans	-113.9	93.9	160.8	-77.2	-165.8	176.5	-165.4	0.5	109.1	I681 I685	I681-R683 PolarHBondContact O-N 3.33Å; R683-I685 PolarHBondContact O-N 3.21Å
684	R	37.3	Very low	35.1	Very low	238 Å²	238	164.2 Å²	164.2	90%	0.898	83%	0.825	S	S	*	*			trans	-68	126	172.5	-135.1	178.9	-77.5	172.8	-5.4	108.9
685	I	35.1	Very low	35	Very low	146 Å²	146	164.2 Å²	164.2	75%	0.749	82%	0.818	S	S	*	*			trans	-31.7	128.6	173.4	-60.7	156.8	0	0	0	113.4	R683 R687	R683-I685 PolarHBondContact O-N 3.21Å; I685-R687 HydrophobicContact CG2-CG 4.4Å
686	I	38	Very low	35.6	Very low	169 Å²	169	166.1 Å²	166.1	87%	0.867	81%	0.808	S	S	*	*			trans	-129.3	116.2	143	-60.5	-177.8	0	0	0	106.7
687	R	33	Very low	35.8	Very low	234 Å²	234	162.7 Å²	162.7	88%	0.883	80%	0.804	S	S	*	*			trans	-98.6	147.4	169.2	-85.5	-179.8	168.7	168.2	-3.1	108.5	I685	I685-R687 HydrophobicContact CG2-CG 4.4Å
688	G	33.2	Very low	36.1	Very low	80 Å²	80	161 Å²	161	83%	0.825	80%	0.796	S	S	*	*			trans	113.4	88.9	156.5	0	0	0	0	0	116.3
689	S	32.9	Very low	36.5	Very low	106 Å²	106	159 Å²	159	74%	0.741	79%	0.785	S	S	*	*				-170.4	142.5	117.4	-171.5	0	0	0	0	110
690	K	30.6	Very low	36.9	Very low	210 Å²	210	151.1 Å²	151.1	91%	0.913	77%	0.767	S	S	*	*			trans	-106.7	117.6	166.7	-73.7	-179.7	177.8	178.8	0	107.3
691	I	34.7	Very low	37.4	Very low	160 Å²	160	149.1 Å²	149.1	82%	0.821	76%	0.755	S	S	*	*			trans	-129.6	151.7	166.4	-66.2	-174.8	0	0	0	109.4
692	S	33.9	Very low	38.2	Very low	112 Å²	112	147 Å²	147	78%	0.783	75%	0.749	S	S	*	*			trans	-66.1	169.2	-157.8	-157.9	0	0	0	0	116.9
693	K	31.7	Very low	38.9	Very low	188 Å²	188	144 Å²	144	82%	0.817	73%	0.732	S	S	*	*			trans	-61.8	150.8	165.4	-53.1	168.8	-179.2	175	0	110.7
694	N	35.9	Very low	39.1	Very low	136 Å²	136	138.6 Å²	138.6	73%	0.727	72%	0.719	S	S	*	*			trans	-157.4	150.4	142.2	-144.2	-20.4	0	0	0	111.5	N696	N694-N696 PolarHBondContact O-N 2.96Å
695	D	39.7	Very low	39.4	Very low	121 Å²	121	134.3 Å²	134.3	65%	0.647	71%	0.71	S	S	*	*			trans	-91.4	17	-156.5	-76.6	-82.9	0	0	0	116.2	M697	D695-M697 VanDerWaalsContact C-N 3.25Å; D695-M697 PolarHBondContact O-N 3.11Å
696	N	44.6	Very low	40	Very low	124 Å²	124	131.3 Å²	131.3	66%	0.663	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-0.8	-167.4	-69.7	-11.5	0	0	0	116.6	N694	N694-N696 PolarHBondContact O-N 2.96Å
697	M	41.1	Very low	40.6	Very low	152 Å²	152	128.4 Å²	128.4	75%	0.749	68%	0.678	S	S	*	*	H	α-helix	trans	-89.5	-11.7	-175.9	-140.3	-176.5	84.4	0	0	114.8	D695	D695-M697 VanDerWaalsContact C-N 3.25Å; D695-M697 PolarHBondContact O-N 3.11Å
698	K	43.2	Very low	40.9	Very low	165 Å²	165	121 Å²	121	72%	0.717	66%	0.662	S	S	*	*	H	α-helix	trans	-81.4	-40.6	179.7	-75.4	179.8	177.2	173	0	113.3	L701 V702	K698-L701 PolarHBondContact O-N 3.12Å; K698-V702 PolarHBondContact O-N 2.87Å
699	S	42.1	Very low	41.8	Very low	72 Å²	72	121.3 Å²	121.3	50%	0.503	65%	0.648	S	S	.	*	H	α-helix	trans	-65.3	-40.3	-179.7	51.7	0	0	0	0	113.1	L701 V702 N703	S699-L701 VanDerWaalsContact C-N 3.27Å; S699-L701 PolarHBondContact O-N 3.02Å; S699-V702 PolarHBondContact O-N 2.94Å; S699-V702 VanDerWaalsContact O-N 3.15Å; S699-N703 PolarHBondContact O-N 2.74Å; S699-N703 VanDerWaalsContact O-N 3.09Å
700	S	44.4	Very low	42.2	Very low	74 Å²	74	124 Å²	124	52%	0.517	64%	0.641	S	S	.	*	H	α-helix	trans	-59	-35.6	177.6	-175.7	0	0	0	0	112.9	M704	S700-M704 WeakPolarHBondContact O-CG 3.41Å; S700-M704 PolarHBondContact O-N 2.87Å; S700-M704 VanDerWaalsContact O-N 3.17Å
701	L	42.5	Very low	42.8	Very low	117 Å²	117	117.7 Å²	117.7	61%	0.613	62%	0.624	S	S	*	*	H	α-helix	trans	-72.1	-35.9	176.2	-97.6	169.2	0	0	0	113.1	K698 S699 M704 M705	K698-L701 PolarHBondContact O-N 3.12Å; S699-L701 VanDerWaalsContact C-N 3.27Å; S699-L701 PolarHBondContact O-N 3.02Å; L701-M704 PolarHBondContact O-N 3.16Å; L701-M705 PolarHBondContact O-N 3.47Å; L701-M705 VanDerWaalsContact O-N 3.17Å
702	V	54.5	Low	43.3	Very low	94 Å²	94	116 Å²	116	57%	0.57	62%	0.616	S	S	*	*	H	α-helix	trans	-64.7	-49	175.6	176.6	0	0	0	0	110.2	K698 S699 M704 M705 E706	K698-V702 PolarHBondContact O-N 2.87Å; S699-V702 PolarHBondContact O-N 2.94Å; S699-V702 VanDerWaalsContact O-N 3.15Å; V702-M704 VanDerWaalsContact C-N 3.31Å; V702-M704 PolarHBondContact O-N 3.28Å; V702-M705 PolarHBondContact O-N 3.23Å; V702-E706 PolarHBondContact O-N 2.8Å
703	N	49.2	Very low	43.5	Very low	95 Å²	95	120 Å²	120	51%	0.508	62%	0.619	S	S	.	*	H	α-helix	trans	-61.4	-37.3	178.7	-71.5	14.2	0	0	0	112.4	S699 M705 E706 I707	S699-N703 PolarHBondContact O-N 2.74Å; S699-N703 VanDerWaalsContact O-N 3.09Å; N703-M705 VanDerWaalsContact C-N 3.35Å; N703-M705 PolarHBondContact O-N 2.85Å; N703-E706 PolarHBondContact O-N 3.12Å; N703-I707 VanDerWaalsContact O-CG1 3.28Å; N703-I707 WeakPolarHBondContact O-CD1 3.29Å; N703-I707 PolarHBondContact O-N 2.96Å; N703-I707 WeakPolarHBondContact O-CG1 3.39Å
704	M	43.6	Very low	43.9	Very low	118 Å²	118	121.3 Å²	121.3	58%	0.581	62%	0.618	S	S	*	*	H	α-helix	trans	-62.2	-38.9	173.4	-82.3	-74.4	-69.9	0	0	112.8	S700 L701 V702 C708	S700-M704 WeakPolarHBondContact O-CG 3.41Å; S700-M704 PolarHBondContact O-N 2.87Å; S700-M704 VanDerWaalsContact O-N 3.17Å; L701-M704 PolarHBondContact O-N 3.16Å; V702-M704 VanDerWaalsContact C-N 3.31Å; V702-M704 PolarHBondContact O-N 3.28Å; M704-C708 PolarHBondContact O-N 3.24Å
705	M	43.3	Very low	44	Very low	147 Å²	147	122 Å²	122	72%	0.724	62%	0.621	S	S	*	*	H	α-helix	trans	-70.9	-32.7	176	-120.4	168.8	68.2	0	0	112.3	L701 V702 N703 T709	L701-M705 PolarHBondContact O-N 3.47Å; L701-M705 VanDerWaalsContact O-N 3.17Å; V702-M705 PolarHBondContact O-N 3.23Å; N703-M705 VanDerWaalsContact C-N 3.35Å; N703-M705 PolarHBondContact O-N 2.85Å; M705-T709 PolarHBondContact O-N 3.13Å; M705-T709 PolarHBondContact O-OG1 2.7Å
706	E	48.4	Very low	43.8	Very low	84 Å²	84	123.2 Å²	123.2	39%	0.393	63%	0.627	S	S	.	*	H	α-helix	trans	-71.6	-36.7	175.9	-142.3	-162.2	140.2	0	0	112.7	V702 N703 T709 R710	V702-E706 PolarHBondContact O-N 2.8Å; N703-E706 PolarHBondContact O-N 3.12Å; E706-T709 WeakPolarHBondContact CA-OG1 2.99Å; E706-T709 PolarHBondContact O-N 3.49Å; E706-T709 PolarHBondContact O-OG1 2.7Å; E706-T709 VanDerWaalsContact O-OG1 3.09Å; E706-R710 PolarHBondContact OE1-NH2 3.28Å; E706-R710 IonicContact OE1-NH2 2.82Å; E706-R710 PolarHBondContact OE1-NE 2.91Å; E706-R710 IonicContact OE1-NE 3.24Å; E706-R710 PolarHBondContact O-N 3.05Å; E706-R710 WeakPolarHBondContact O-CG 3.44Å; E706-R710 VanDerWaalsContact O-CG 3.27Å; E706-R710 WeakPolarHBondContact O-CB 3.35Å; E706-R710 IonicContact OE1-CZ 3.99Å
707	I	50.9	Low	43.4	Very low	107 Å²	107	123.6 Å²	123.6	55%	0.549	64%	0.636	S	S	.	*	H	α-helix	trans	-63.2	-42.9	175.2	-70.6	162.7	0	0	0	111.1	N703	N703-I707 VanDerWaalsContact O-CG1 3.28Å; N703-I707 WeakPolarHBondContact O-CD1 3.29Å; N703-I707 PolarHBondContact O-N 2.96Å; N703-I707 WeakPolarHBondContact O-CG1 3.39Å
708	C	39	Very low	43.4	Very low	80 Å²	80	122.7 Å²	122.7	54%	0.541	64%	0.639	S	S	.	*	H	α-helix	trans	-66.3	-38.7	176.9	-72.6	0	0	0	0	113.1	M704 S711	M704-C708 PolarHBondContact O-N 3.24Å; C708-S711 PolarHBondContact O-N 3.11Å
709	T	51.8	Low	43	Very low	85 Å²	85	118.1 Å²	118.1	52%	0.521	64%	0.639	S	S	.	*	H	α-helix	trans	-73.3	-32.3	179.7	46.7	0	0	0	0	112.9	M705 E706 S711 I712	M705-T709 PolarHBondContact O-N 3.13Å; M705-T709 PolarHBondContact O-OG1 2.7Å; E706-T709 WeakPolarHBondContact CA-OG1 2.99Å; E706-T709 PolarHBondContact O-N 3.49Å; E706-T709 PolarHBondContact O-OG1 2.7Å; E706-T709 VanDerWaalsContact O-OG1 3.09Å; T709-S711 PolarHBondContact O-N 2.8Å; T709-I712 PolarHBondContact O-N 3.43Å
710	R	40.7	Very low	42.5	Very low	162 Å²	162	122.7 Å²	122.7	61%	0.611	66%	0.657	S	S	*	*	H	α-helix	trans	-65.4	-19.1	173.2	-74	173.5	178.9	-140.3	6.2	114.3	E706	E706-R710 PolarHBondContact OE1-NH2 3.28Å; E706-R710 IonicContact OE1-NH2 2.82Å; E706-R710 PolarHBondContact OE1-NE 2.91Å; E706-R710 IonicContact OE1-NE 3.24Å; E706-R710 PolarHBondContact O-N 3.05Å; E706-R710 WeakPolarHBondContact O-CG 3.44Å; E706-R710 VanDerWaalsContact O-CG 3.27Å; E706-R710 WeakPolarHBondContact O-CB 3.35Å; E706-R710 IonicContact OE1-CZ 3.99Å
711	S	44.1	Very low	42.2	Very low	78 Å²	78	127.9 Å²	127.9	55%	0.545	68%	0.677	S	S	.	*	H	α-helix	trans	-83.7	-25.8	175.4	-67.3	0	0	0	0	114.3	C708 T709	C708-S711 PolarHBondContact O-N 3.11Å; T709-S711 PolarHBondContact O-N 2.8Å
712	I	45.1	Very low	41.7	Very low	126 Å²	126	128.4 Å²	128.4	65%	0.646	68%	0.681	S	S	*	*	H	α-helix	trans	-83.3	-25.6	-176.1	-65.2	173.1	0	0	0	111.7	T709 R714	T709-I712 PolarHBondContact O-N 3.43Å; I712-R714 PolarHBondContact O-N 2.69Å
713	K	38.5	Very low	40.8	Very low	195 Å²	195	131.7 Å²	131.7	85%	0.848	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	14.8	177.6	-93.7	-169.9	173.1	-173.4	0	116
714	R	39	Very low	40.1	Very low	215 Å²	215	133.4 Å²	133.4	81%	0.811	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	10.8	179.8	-57.4	-168.1	-167.2	-169.1	4.1	114.8	I712	I712-R714 PolarHBondContact O-N 2.69Å
715	L	38.7	Very low	39.8	Very low	151 Å²	151	135.4 Å²	135.4	79%	0.791	71%	0.709	S	S	*	*	S	Bend	trans	-119.6	13.5	-174	-73.4	167.8	0	0	0	114.5
716	L	35.5	Very low	39	Very low	147 Å²	147	134.8 Å²	134.8	77%	0.77	72%	0.718	S	S	*	*			trans	-115.5	123.3	167.8	-86.7	78	0	0	0	109.9	T718	L716-T718 PolarHBondContact O-N 2.93Å
717	P	36.1	Very low	38.2	Very low	132 Å²	132	140.4 Å²	140.4	86%	0.857	74%	0.741	S	S	*	*			trans	-88.4	97.2	172	33.4	-30.7	0	0	0	111
718	T	40.2	Very low	37.5	Very low	132 Å²	132	140.7 Å²	140.7	81%	0.81	75%	0.75	S	S	*	*			trans	-93.8	118	159.8	52	0	0	0	0	108.5	L716	L716-T718 PolarHBondContact O-N 2.93Å
719	G	36.4	Very low	37.2	Very low	69 Å²	69	145.2 Å²	145.2	71%	0.711	77%	0.767	S	S	*	*			trans	-79.1	175.5	-170.2	0	0	0	0	0	115.7
720	L	31.1	Very low	36.4	Very low	169 Å²	169	144.2 Å²	144.2	89%	0.885	77%	0.774	S	S	*	*			trans	62.6	103.4	162.2	-56	172.9	0	0	0	117.7
721	I	37.6	Very low	36	Very low	182 Å²	182	143.6 Å²	143.6	93%	0.933	79%	0.787	S	S	*	*				-172.1	168.9	118.2	-94.3	156.5	0	0	0	109.2
722	N	32.7	Very low	35.6	Very low	129 Å²	129	145.1 Å²	145.1	69%	0.69	80%	0.796	S	S	*	*			trans	-112.1	158	-145.4	-157.7	-4.2	0	0	0	115.3
723	K	35.1	Very low	35.1	Very low	162 Å²	162	148.1 Å²	148.1	70%	0.704	80%	0.804	S	S	*	*			trans	66.8	108	157.8	-85.1	159.2	-178	179.4	0	121.8
724	N	35.6	Very low	34.8	Very low	132 Å²	132	144.8 Å²	144.8	71%	0.706	80%	0.8	S	S	*	*				54.1	105.5	117.6	-55.6	8.8	0	0	0	120.7
725	N	36.1	Very low	34.7	Very low	159 Å²	159	139.6 Å²	139.6	85%	0.85	79%	0.794	S	S	*	*				170.9	133.6	100.6	-90.1	-25.4	0	0	0	113.1
726	C	25.9	Very low	34.5	Very low	134 Å²	134	138.2 Å²	138.2	91%	0.905	79%	0.792	S	S	*	*			trans	-157.5	148.3	164	-107.8	0	0	0	0	110.6
727	K	32.3	Very low	34.4	Very low	203 Å²	203	136.6 Å²	136.6	88%	0.883	79%	0.789	S	S	*	*			trans	-129.7	155.9	168.5	-87.6	-172.2	174.3	-179.2	0	110.7
728	P	36.2	Very low	34.2	Very low	113 Å²	113	137.2 Å²	137.2	73%	0.734	79%	0.785	S	S	*	*			trans	-119.6	-152.3	-165.9	40.6	-24.1	0	0	0	113.2
729	I	33.3	Very low	33.8	Very low	175 Å²	175	136.1 Å²	136.1	90%	0.897	78%	0.783	S	S	*	*			trans	90	137.9	177.1	-51.4	157.1	0	0	0	112.8
730	G	33.6	Very low	33.6	Very low	64 Å²	64	141.7 Å²	141.7	66%	0.66	79%	0.792	S	S	*	*			cis	172.5	169.6	-5.1	0	0	0	0	0	112.2
731	V	32.4	Very low	33.6	Very low	148 Å²	148	141.6 Å²	141.6	90%	0.897	79%	0.787	S	S	*	*			trans	-145.9	141.7	-179.6	-174.5	0	0	0	0	111.9
732	P	37.2	Very low	33.2	Very low	111 Å²	111	140.3 Å²	140.3	72%	0.721	78%	0.781	S	S	*	*			trans	-115.2	146.1	-173.3	40.1	-32.4	0	0	0	118.6
733	K	34.6	Very low	33.1	Very low	189 Å²	189	141.4 Å²	141.4	82%	0.822	79%	0.787	S	S	*	*			trans	31.6	120.7	132.4	-65	-178.2	-178.4	-178.1	0	120.4
734	T	30.9	Very low	33	Very low	125 Å²	125	139.6 Å²	139.6	77%	0.767	79%	0.789	S	S	*	*				64.7	147	73.2	64.9	0	0	0	0	115.2
735	P	38.1	Very low	33	Very low	106 Å²	106	142.6 Å²	142.6	69%	0.688	80%	0.799	S	S	*	*			cis	-158.9	-159.8	45.9	44.4	-20.1	0	0	0	119.3
736	T	34.5	Very low	32.8	Very low	121 Å²	121	141.8 Å²	141.8	74%	0.742	80%	0.795	S	S	*	*			trans	67.7	148	153.5	48.8	0	0	0	0	121.8
737	T	32.2	Very low	33.3	Very low	114 Å²	114	145 Å²	145	70%	0.699	80%	0.796	S	S	*	*			cis	-163.3	-179.4	-15.1	23	0	0	0	0	112.2
738	D	32.3	Very low	33.2	Very low	145 Å²	145	144.6 Å²	144.6	78%	0.775	79%	0.794	S	S	*	*			trans	96.2	161.6	153.9	-56.9	-47.9	0	0	0	121.6
739	S	32	Very low	32.8	Very low	109 Å²	109	147.3 Å²	147.3	76%	0.762	80%	0.802	S	S	*	*				-158.2	166.3	-128.6	63.8	0	0	0	0	116.4
740	M	31.8	Very low	32.7	Very low	185 Å²	185	144.6 Å²	144.6	91%	0.911	80%	0.796	S	S	*	*			trans	-159.1	159.6	160.6	-101	-168	83.6	0	0	112.6
741	Q	31.4	Very low	32.3	Very low	168 Å²	168	148.9 Å²	148.9	79%	0.785	80%	0.804	S	S	*	*			trans	-115.5	151.6	-176.2	-53.7	165	-42.1	0	0	111.1
742	L	29.5	Very low	32.1	Very low	154 Å²	154	147.5 Å²	147.5	81%	0.806	80%	0.795	S	S	*	*				162.8	163.3	97.4	-89.9	152.5	0	0	0	105.2
743	L	31	Very low	31.7	Very low	153 Å²	153	151.8 Å²	151.8	80%	0.801	80%	0.803	S	S	*	*			cis	-157.5	163.2	25.4	-135.4	155.8	0	0	0	108.5
744	T	31.6	Very low	31.4	Very low	124 Å²	124	148.3 Å²	148.3	76%	0.761	80%	0.798	S	S	*	*			trans	-111.1	146.9	-173.9	48	0	0	0	0	114.9
745	E	35.4	Very low	31.2	Very low	195 Å²	195	154 Å²	154	91%	0.911	81%	0.805	S	S	*	*			trans	-142.3	159.6	151.5	-167.9	158.5	-159.1	0	0	111.1
746	N	32.2	Very low	30.9	Very low	142 Å²	142	158.7 Å²	158.7	76%	0.759	81%	0.814	S	S	*	*			trans	-118.4	148.3	-164.1	-60.7	-88.9	0	0	0	112.8
747	Q	36.3	Very low	30.9	Very low	200 Å²	200	157 Å²	157	94%	0.935	81%	0.813	S	S	*	*			trans	-164.7	166.3	130.1	-108.5	169.8	41.1	0	0	112.6
748	K	30.8	Very low	30.9	Very low	195 Å²	195	157.4 Å²	157.4	85%	0.848	82%	0.816	S	S	*	*			trans	-104.7	147.1	-164	-57	169.3	-179.9	172.7	0	112.8
749	L	27	Very low	30.8	Very low	170 Å²	170	157.9 Å²	157.9	89%	0.89	82%	0.816	S	S	*	*			trans	-157.6	136.1	132	-138.7	71.5	0	0	0	111.3
750	P	31.1	Very low	30.9	Very low	118 Å²	118	160.4 Å²	160.4	77%	0.766	82%	0.816	S	S	*	*			trans	-101.3	-177.2	-178.6	39.7	-35.8	0	0	0	114.3
751	N	26.3	Very low	30.7	Very low	155 Å²	155	159 Å²	159	83%	0.829	81%	0.807	S	S	*	*			trans	-68.7	173.8	-177.3	-65.7	-39.4	0	0	0	115.9
752	V	27.8	Very low	30.8	Very low	118 Å²	118	159.5 Å²	159.5	72%	0.715	81%	0.814	S	S	*	*			trans	92.5	126	158.8	-172.2	0	0	0	0	116.9
753	F	29.5	Very low	30.8	Very low	202 Å²	202	158.2 Å²	158.2	89%	0.886	81%	0.808	S	S	*	*			trans	-143.3	102.7	156.7	-138	-84.8	0	0	0	110.9
754	T	27.1	Very low	30.8	Very low	116 Å²	116	158.9 Å²	158.9	71%	0.712	81%	0.807	S	S	*	*			trans	-152.8	108.1	176.1	35.8	0	0	0	0	111.5
755	R	27	Very low	30.7	Very low	243 Å²	243	156.2 Å²	156.2	92%	0.917	80%	0.804	S	S	*	*			trans	163.6	161.4	168.3	-99.2	162.4	-179.1	-164	-0.5	107.8
756	K	32.1	Very low	30.6	Very low	205 Å²	205	157.3 Å²	157.3	89%	0.891	81%	0.806	S	S	*	*			cis	-122	176.7	2.8	-91.1	171.9	172.3	175.1	0	107.7
757	A	33.5	Very low	30.3	Very low	86 Å²	86	158.3 Å²	158.3	71%	0.711	81%	0.811	S	S	*	*			cis	-163.5	-159.1	-21.2	0	0	0	0	0	104.2
758	T	34.3	Very low	30	Very low	123 Å²	123	153 Å²	153	76%	0.755	80%	0.797	S	S	*	*			cis	-145.5	136.7	-1.3	33.9	0	0	0	0	104.9
759	I	29.6	Very low	29.9	Very low	155 Å²	155	154.5 Å²	154.5	80%	0.795	80%	0.798	S	S	*	*				47.1	94.1	73.6	-47.6	-179.6	0	0	0	114.6
760	H	32.8	Very low	29.8	Very low	161 Å²	161	155.5 Å²	155.5	75%	0.745	80%	0.796	S	S	*	*				-161	162.2	99.1	-148	-81	0	0	0	111.3
761	E	29.5	Very low	29.7	Very low	157 Å²	157	156.5 Å²	156.5	73%	0.734	79%	0.794	S	S	*	*			trans	-76.3	155.3	172.7	-52.5	151.7	116.9	0	0	112.4
762	L	32.4	Very low	29.9	Very low	177 Å²	177	156.1 Å²	156.1	93%	0.927	79%	0.788	S	S	*	*				-158.1	162.1	128.6	-112.4	171.1	0	0	0	111.1
763	N	28.8	Very low	30.1	Very low	127 Å²	127	157 Å²	157	68%	0.679	79%	0.789	S	S	*	*			trans	-120	166.4	-161.4	-158.3	15.8	0	0	0	112.5
764	E	32.2	Very low	29.9	Very low	168 Å²	168	154.9 Å²	154.9	79%	0.785	79%	0.786	S	S	*	*			trans	60.8	127.4	160.4	-72.6	172.6	-153.8	0	0	121.5
765	G	29.4	Very low	30.1	Very low	68 Å²	68	157.7 Å²	157.7	70%	0.701	79%	0.793	S	S	*	*				104.3	97.3	115.8	0	0	0	0	0	119.6
766	K	32.3	Very low	30	Very low	217 Å²	217	150.7 Å²	150.7	94%	0.943	78%	0.782	S	S	*	*				-159	129	128.2	-107.9	145.8	-170.1	169.5	0	112.7
767	N	25.8	Very low	29.9	Very low	163 Å²	163	146.6 Å²	146.6	87%	0.872	78%	0.779	S	S	*	*			trans	-96.1	177.9	175.6	-86.6	-50	0	0	0	111.1
768	S	29.8	Very low	29.6	Very low	90 Å²	90	149.5 Å²	149.5	63%	0.629	78%	0.783	S	S	*	*			trans	82.2	135.5	176.1	-139.8	0	0	0	0	114.2
769	Y	29.9	Very low	29.5	Very low	226 Å²	226	151.2 Å²	151.2	89%	0.886	79%	0.787	S	S	*	*			cis	-115.1	157.7	15.1	-87.6	-100.4	0	0	0	115
770	K	24.9	Very low	29.3	Very low	191 Å²	191	151.6 Å²	151.6	83%	0.83	79%	0.79	S	S	*	*			trans	-145	119.1	177.4	-175.4	-175	-171.5	-179.4	0	108.6
771	N	29.3	Very low	29.2	Very low	138 Å²	138	153.1 Å²	153.1	74%	0.738	80%	0.8	S	S	*	*			trans	174.4	148.9	166.3	-98.7	-3.2	0	0	0	109.4
772	Q	30.6	Very low	29	Very low	147 Å²	147	150.8 Å²	150.8	69%	0.687	80%	0.8	S	S	*	*			cis	-164.3	172	-17.1	-136.1	167.1	-1.5	0	0	109.3
773	N	31.7	Very low	28.6	Very low	138 Å²	138	148 Å²	148	74%	0.738	80%	0.795	S	S	*	*			trans	71.2	115.3	170.9	-46.6	-27.1	0	0	0	114.8
774	N	25.1	Very low	28.5	Very low	157 Å²	157	151.5 Å²	151.5	84%	0.84	80%	0.804	S	S	*	*			cis	70.1	97.2	34.4	-64.7	-7.6	0	0	0	116.4
775	M	30.2	Very low	28.4	Very low	174 Å²	174	153 Å²	153	86%	0.857	81%	0.808	S	S	*	*				-178.1	120	125.4	-95	168.6	70.7	0	0	106.8
776	S	25.8	Very low	28.2	Very low	96 Å²	96	159.5 Å²	159.5	67%	0.671	82%	0.817	S	S	*	*			cis	69.9	95.3	44.3	83.4	0	0	0	0	115
777	S	29.9	Very low	28.1	Very low	119 Å²	119	157 Å²	157	83%	0.832	81%	0.813	S	S	*	*				174.3	144.5	113	-86.1	0	0	0	0	115.3
778	N	26.1	Very low	28.2	Very low	148 Å²	148	153.7 Å²	153.7	79%	0.791	80%	0.802	S	S	*	*			trans	-56.5	147.3	178.5	-50.5	-44.3	0	0	0	115.6
779	N	33	Very low	28	Very low	159 Å²	159	157.3 Å²	157.3	85%	0.85	82%	0.815	S	S	*	*			trans	-171.4	109.3	134.7	-88.8	-32.4	0	0	0	106.6
780	L	26.1	Very low	28.1	Very low	162 Å²	162	153.7 Å²	153.7	85%	0.848	81%	0.811	S	S	*	*				63.9	90.4	53.4	-166	79.3	0	0	0	114.2
781	M	29.4	Very low	28.1	Very low	194 Å²	194	153 Å²	153	96%	0.956	81%	0.808	S	S	*	*			trans	-153.5	147.8	131.9	-139.8	170.6	-173.2	0	0	111
782	S	25.2	Very low	28.1	Very low	107 Å²	107	153.3 Å²	153.3	75%	0.748	81%	0.809	S	S	*	*			trans	-118.4	146.6	179	101.1	0	0	0	0	110.5
783	C	25.6	Very low	27.9	Very low	120 Å²	120	152.6 Å²	152.6	81%	0.811	81%	0.81	S	S	*	*			trans	-140.3	99.9	162.7	-164.3	0	0	0	0	111
784	K	25.9	Very low	27.8	Very low	199 Å²	199	152.5 Å²	152.5	87%	0.865	81%	0.808	S	S	*	*			trans	-77.1	129.1	165.6	-75.9	177.1	175.7	172.7	0	109.1
785	K	29.9	Very low	28.1	Very low	200 Å²	200	153.2 Å²	153.2	87%	0.87	81%	0.806	S	S	*	*			trans	-116	121.4	150.9	-89.9	-175.6	172.7	179.1	0	109.3
786	K	25.1	Very low	28.1	Very low	205 Å²	205	153.5 Å²	153.5	89%	0.891	81%	0.805	S	S	*	*			trans	-72.2	143.1	160.4	-73.4	178.2	171.7	-178.8	0	107.9
787	L	29.9	Very low	28.2	Very low	163 Å²	163	157.2 Å²	157.2	85%	0.853	80%	0.804	S	S	*	*			trans	-143.6	147.7	142.7	-151.5	65.9	0	0	0	110.3
788	S	29	Very low	28.2	Very low	94 Å²	94	154.9 Å²	154.9	66%	0.657	79%	0.786	S	S	*	*			trans	13	120.2	167.9	49.8	0	0	0	0	119.4	D790	S788-D790 PolarHBondContact O-N 3.35Å
789	N	25.5	Very low	28.4	Very low	166 Å²	166	148.9 Å²	148.9	89%	0.888	76%	0.756	S	S	*	*			trans	-40	125.7	151.4	-49.5	-25.4	0	0	0	111.1
790	D	31	Very low	28.4	Very low	151 Å²	151	143.2 Å²	143.2	81%	0.807	73%	0.725	S	S	*	*			trans	-134	140	150.5	-118.7	-39	0	0	0	109.2	S788 L792	S788-D790 PolarHBondContact O-N 3.35Å; D790-L792 PolarHBondContact O-N 2.73Å
791	K	26.2	Very low	29.4	Very low	176 Å²	176	136 Å²	136	77%	0.765	69%	0.687	S	S	*	*			trans	-98.2	70.8	-161.6	-167.1	-171	172.8	-162.1	0	110.7	D793	K791-D793 PolarHBondContact O-N 3.02Å
792	L	28	Very low	30.3	Very low	144 Å²	144	128.5 Å²	128.5	75%	0.754	65%	0.649	S	S	*	*			trans	-81.8	106.2	178	-119	89.3	0	0	0	111.3	D790 I794	D790-L792 PolarHBondContact O-N 2.73Å; L792-I794 PolarHBondContact O-N 2.97Å; L792-I794 VanDerWaalsContact O-N 3.15Å
793	D	26.9	Very low	31.2	Very low	132 Å²	132	124.9 Å²	124.9	71%	0.706	62%	0.623	S	S	*	*			trans	-75.9	95.1	173.1	-67.9	-50.8	0	0	0	110.1	K791 E795	K791-D793 PolarHBondContact O-N 3.02Å; D793-E795 PolarHBondContact O-N 3.1Å; D793-E795 VanDerWaalsContact O-N 3.11Å
794	I	30.6	Very low	31.9	Very low	136 Å²	136	119.8 Å²	119.8	70%	0.697	59%	0.588	S	S	*	*			trans	-82.4	85.7	179.9	-56.1	178.9	0	0	0	110.2	L792 H796	L792-I794 PolarHBondContact O-N 2.97Å; L792-I794 VanDerWaalsContact O-N 3.15Å; I794-H796 PolarHBondContact O-N 3.22Å; I794-H796 PolarHBondContact O-ND1 3.11Å
795	E	30.8	Very low	32.6	Very low	172 Å²	172	112.3 Å²	112.3	80%	0.804	56%	0.563	S	S	*	*			trans	-57.6	133.8	171.1	-72.3	-164.7	125.7	0	0	111.7	D793 R797	D793-E795 PolarHBondContact O-N 3.1Å; D793-E795 VanDerWaalsContact O-N 3.11Å; E795-R797 PolarHBondContact O-N 2.98Å
796	H	30.7	Very low	32.9	Very low	180 Å²	180	106.7 Å²	106.7	83%	0.833	55%	0.545	S	S	*	.			trans	-78	104.9	-178.8	-66	19.2	0	0	0	110.5	I794 P798	I794-H796 PolarHBondContact O-N 3.22Å; I794-H796 PolarHBondContact O-ND1 3.11Å; H796-P798 WeakPolarHBondContact O-CD 3.33Å
797	R	28.2	Very low	33.5	Very low	174 Å²	174	100.7 Å²	100.7	66%	0.657	52%	0.523	S	S	*	.			trans	-92.4	114.2	169.5	-79.5	-178.4	173.4	-105.2	-3.4	111.7	E422 E795	E422-R797 IonicContact OE1-CZ 3.68Å; E422-R797 IonicContact OE1-NH1 2.7Å; E422-R797 PolarHBondContact OE1-NH1 2.98Å; E422-R797 IonicContact OE2-CZ 3.32Å; E422-R797 IonicContact OE2-NH1 2.87Å; E422-R797 PolarHBondContact OE2-NH1 2.96Å; E795-R797 PolarHBondContact O-N 2.98Å
798	P	28.4	Very low	34.1	Very low	71 Å²	71	100.6 Å²	100.6	46%	0.461	52%	0.518	S	S	.	.			trans	-95.7	100.4	170.3	34.5	-28	0	0	0	110.5	Y480 H796 L800	Y480-P798 HydrophobicContact CE2-CB 3.82Å; H796-P798 WeakPolarHBondContact O-CD 3.33Å; P798-L800 WeakPolarHBondContact O-CD1 3.46Å
799	S	31.4	Very low	34.5	Very low	22 Å²	22	103.5 Å²	103.5	15%	0.154	52%	0.519	C	S	.	.			trans	-91.9	149.1	169.7	57.1	0	0	0	0	111.6	E419	E419-S799 WeakPolarHBondContact OE2-CB 3.36Å; E419-S799 PolarHBondContact OE2-OG 3.35Å
800	L	32.3	Very low	35	Very low	39 Å²	39	102 Å²	102	20%	0.204	51%	0.51	C	S	.	.			trans	-140.1	148.7	-163.8	-86.6	99.3	0	0	0	112.3	M472 F475 P798	M472-L800 HydrophobicContact CE-CD2 4.41Å; F475-L800 HydrophobicContact CD1-CD2 3.84Å; F475-L800 HydrophobicContact CD1-CG 4.41Å; F475-L800 HydrophobicContact CE1-CB 4.06Å; F475-L800 HydrophobicContact CE1-CD2 3.73Å; F475-L800 HydrophobicContact CE1-CG 3.78Å; P798-L800 WeakPolarHBondContact O-CD1 3.46Å
801	M	47.6	Very low	35.5	Very low	11 Å²	11	101 Å²	101	5%	0.054	51%	0.505	C	S	.	.			trans	68.3	139.4	171.1	-53.1	161.6	52.2	0	0	114.3	P420 V425 Y471 M472	P420-M801 WeakPolarHBondContact CD-O 3.44Å; V425-M801 HydrophobicContact CG1-SD 4.45Å; Y471-M801 HydrophobicContact CE1-CE 3.7Å; Y471-M801 HydrophobicContact CE1-CG 3.81Å; Y471-M801 HydrophobicContact CE1-SD 3.95Å; M472-M801 HydrophobicContact CE-SD 4.33Å; M472-M801 HydrophobicContact SD-SD 3.7Å; M472-M801 VanDerWaalsContact SD-SD 3.7Å
802	Y	48.1	Very low	36	Very low	36 Å²	36	96.7 Å²	96.7	14%	0.141	50%	0.497	C	S	.	.			cis	-135.5	164.1	11.7	-81.2	-96.5	0	0	0	111.3	Y471 S507	Y471-Y802 HydrophobicContact CE1-CE1 4.41Å; Y471-Y802 HydrophobicContact CE2-CD1 4.19Å; Y471-Y802 HydrophobicContact CE2-CE1 4.31Å; Y471-Y802 AromaticContact CZ-CD1 3.76Å; Y471-Y802 AromaticContact CZ-CE1 3.85Å; Y471-Y802 WeakPolarHBondContact OH-CD1 3.28Å; S507-Y802 WeakPolarHBondContact OG-CD1 3.37Å; S507-Y802 WeakPolarHBondContact OG-CE1 3.22Å
803	P	43.6	Very low	36.3	Very low	32 Å²	32	94.7 Å²	94.7	21%	0.208	49%	0.487	C	S	.	.			trans	-92.8	-178.6	159.5	39.3	-33.7	0	0	0	112.8	L500 L503	L500-P803 HydrophobicContact CD1-CB 3.59Å; L500-P803 HydrophobicContact CD1-CG 4.25Å; L503-P803 HydrophobicContact CB-CG 3.84Å; L503-P803 HydrophobicContact CD1-CG 4.19Å
804	L	40.3	Very low	36.7	Very low	13 Å²	13	93.5 Å²	93.5	7%	0.068	48%	0.48	C	S	.	.			trans	-108.9	136.5	-142.6	-112.1	59.7	0	0	0	118	C401 I412 D415 C416 N504	C401-L804 HydrophobicContact CB-CD2 4.25Å; I412-L804 HydrophobicContact CG2-CD2 3.31Å; I412-L804 HydrophobicContact CG2-CG 3.8Å; D415-L804 HydrophobicContact CB-CD1 4.03Å; C416-L804 HydrophobicContact CB-CD1 3.81Å; C416-L804 HydrophobicContact CB-CD2 3.99Å; C416-L804 WeakPolarHBondContact SG-CD2 3.49Å; N504-L804 VanDerWaalsContact CG-O 3.29Å; N504-L804 PolarHBondContact ND2-O 3.42Å; N504-L804 PolarHBondContact OD1-N 3.05Å; N504-L804 PolarHBondContact OD1-O 3.27Å
805	A	41.9	Very low	36.9	Very low	42 Å²	42	93.1 Å²	93.1	35%	0.347	49%	0.486	S	S	.	.			trans	62	128.1	136.9	0	0	0	0	0	120.6	I412	I412-A805 HydrophobicContact CB-CB 4.27Å; I412-A805 HydrophobicContact CD1-CB 3.58Å; I412-A805 HydrophobicContact CG1-CB 3.54Å; I412-A805 HydrophobicContact CG2-CB 4.02Å
806	T	35	Very low	37.4	Very low	82 Å²	82	88.7 Å²	88.7	50%	0.503	47%	0.474	S	S	.	.	S	Bend	trans	-112.8	55.4	-179.2	56.5	0	0	0	0	113.4	M508	M508-T806 HydrophobicContact CG-CG2 3.9Å; M508-T806 HydrophobicContact SD-CG2 4.22Å
807	D	38.6	Very low	37.7	Very low	79 Å²	79	87.3 Å²	87.3	42%	0.422	47%	0.468	S	S	.	.	S	Bend	trans	-107.9	-15.1	179	-72.5	-24.3	0	0	0	114.3	N409 N811	N409-D807 PolarHBondContact ND2-OD2 3.31Å; D807-N811 PolarHBondContact O-ND2 3.45Å
808	Q	42.7	Very low	38	Very low	161 Å²	161	85.7 Å²	85.7	75%	0.752	47%	0.472	S	S	*	.	S	Bend	trans	-86.4	-29.6	-177.7	-74.2	-179.3	-21.4	0	0	114.6	S812	Q808-S812 PolarHBondContact O-N 3.33Å; Q808-S812 PolarHBondContact O-OG 2.87Å
809	F	36.4	Very low	38.5	Very low	155 Å²	155	87.2 Å²	87.2	68%	0.68	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-31.5	-167.2	-167.2	-96.7	0	0	0	114.9	S812	F809-S812 PolarHBondContact O-OG 3.36Å; F809-S812 VanDerWaalsContact O-OG 3.13Å
810	L	37.2	Very low	38.7	Very low	134 Å²	134	93.5 Å²	93.5	70%	0.702	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-30.2	178.2	-68	174.2	0	0	0	112.2
811	N	41.2	Very low	38.8	Very low	131 Å²	131	98.3 Å²	98.3	70%	0.701	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-12.1	-177.4	-63.9	-48.7	0	0	0	113.5	D807	D807-N811 PolarHBondContact O-ND2 3.45Å
812	S	36.5	Very low	38.1	Very low	85 Å²	85	103.4 Å²	103.4	59%	0.594	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-9.7	171.2	52.5	0	0	0	0	114.2	Q808 F809 L814	Q808-S812 PolarHBondContact O-N 3.33Å; Q808-S812 PolarHBondContact O-OG 2.87Å; F809-S812 PolarHBondContact O-OG 3.36Å; F809-S812 VanDerWaalsContact O-OG 3.13Å; S812-L814 PolarHBondContact O-N 3.2Å
813	L	34.7	Very low	37.4	Very low	101 Å²	101	107.6 Å²	107.6	53%	0.529	60%	0.603	S	S	.	*			trans	-84.6	59.4	179.3	-75	165.4	0	0	0	111.7	L818	L813-L818 HydrophobicContact CD2-CD1 4.49Å
814	L	33.8	Very low	36.9	Very low	107 Å²	107	111.9 Å²	111.9	56%	0.56	63%	0.631	S	S	*	*			trans	-64.5	132.1	169.8	-118.9	73.1	0	0	0	109.8	S812 S816 Q817	S812-L814 PolarHBondContact O-N 3.2Å; L814-S816 PolarHBondContact O-N 3.15Å; L814-Q817 PolarHBondContact O-N 3.38Å
815	P	34.8	Very low	36.5	Very low	128 Å²	128	119.6 Å²	119.6	83%	0.831	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-7.6	-175.8	-27.3	35.9	0	0	0	116.4
816	S	41.7	Very low	36	Very low	80 Å²	80	125.2 Å²	125.2	56%	0.559	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	5.8	-173.6	55.4	0	0	0	0	115.5	L814	L814-S816 PolarHBondContact O-N 3.15Å
817	Q	37.9	Very low	35.8	Very low	151 Å²	151	131.1 Å²	131.1	71%	0.706	70%	0.702	S	S	*	*	S	Bend	trans	-117.8	-0.3	-179.7	-68.3	-66.8	-78.8	0	0	114.5	L814 S819	L814-Q817 PolarHBondContact O-N 3.38Å; Q817-S819 PolarHBondContact O-N 3.48Å
818	L	34.2	Very low	35.6	Very low	140 Å²	140	133.8 Å²	133.8	73%	0.733	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	2.7	-174.1	-134.8	76.8	0	0	0	114.9	L813	L813-L818 HydrophobicContact CD2-CD1 4.49Å
819	S	38.7	Very low	35.3	Very low	102 Å²	102	132.2 Å²	132.2	71%	0.713	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-3.9	-173.7	51.4	0	0	0	0	115.3	Q817	Q817-S819 PolarHBondContact O-N 3.48Å
820	L	35.7	Very low	35	Very low	155 Å²	155	128.2 Å²	128.2	81%	0.812	72%	0.72	S	S	*	*	S	Bend	trans	-126.9	31.6	-169.7	-119	87	0	0	0	115.5
821	I	33.7	Very low	34.9	Very low	139 Å²	139	131.2 Å²	131.2	71%	0.713	73%	0.731	S	S	*	*			trans	-120.1	119.2	170.3	-57.3	-179.7	0	0	0	109.3	T823	I821-T823 PolarHBondContact O-N 2.81Å
822	P	33.5	Very low	34.5	Very low	119 Å²	119	133.4 Å²	133.4	77%	0.773	74%	0.737	S	S	*	*			trans	-70.3	123.5	179.2	28.3	-33.4	0	0	0	110.7
823	T	33	Very low	34.4	Very low	123 Å²	123	139.5 Å²	139.5	76%	0.755	75%	0.753	S	S	*	*			trans	-72.3	133.4	173	43.4	0	0	0	0	110.4	I821 Q825	I821-T823 PolarHBondContact O-N 2.81Å; T823-Q825 PolarHBondContact O-N 3.37Å; T823-Q825 VanDerWaalsContact O-N 3.12Å
824	P	33.3	Very low	34.3	Very low	122 Å²	122	140.9 Å²	140.9	79%	0.792	76%	0.761	S	S	*	*			trans	-72.8	107.7	176.8	28.6	-32.8	0	0	0	109.8	I826	P824-I826 PolarHBondContact O-N 3.41Å
825	Q	32.5	Very low	34.3	Very low	175 Å²	175	142 Å²	142	82%	0.818	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-65	121.5	173.5	-75.2	-172.4	-29.7	0	0	110.6	T823	T823-Q825 PolarHBondContact O-N 3.37Å; T823-Q825 VanDerWaalsContact O-N 3.12Å
826	I	31.4	Very low	34.2	Very low	160 Å²	160	143.6 Å²	143.6	82%	0.821	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-89.1	124.6	166.4	-71.5	174.8	0	0	0	107.5	P824	P824-I826 PolarHBondContact O-N 3.41Å
827	W	30.6	Very low	33.6	Very low	207 Å²	207	147.3 Å²	147.3	78%	0.784	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-68.7	141	-179.8	-77.5	47	0	0	0	111.9
828	V	34.7	Very low	33.1	Very low	135 Å²	135	145.4 Å²	145.4	82%	0.818	78%	0.78	S	S	*	*			trans	-137	104.9	155.5	179.3	0	0	0	0	106.4
829	D	35.1	Very low	32.8	Very low	127 Å²	127	143.4 Å²	143.4	68%	0.679	78%	0.783	S	S	*	*			trans	-64.6	146.5	166.1	-36.1	-93.5	0	0	0	108.8
830	G	31.6	Very low	32.4	Very low	71 Å²	71	143.8 Å²	143.8	73%	0.732	79%	0.793	S	S	*	*			cis	142.5	116.2	3.5	0	0	0	0	0	108.7
831	E	33.4	Very low	32	Very low	198 Å²	198	140.9 Å²	140.9	93%	0.925	79%	0.786	S	S	*	*			trans	-147.5	126	174.5	-113.8	166.1	-160	0	0	108.1
832	E	34.2	Very low	31.9	Very low	176 Å²	176	142.6 Å²	142.6	82%	0.822	79%	0.79	S	S	*	*			trans	-88	152.8	-174.9	-61.8	157.8	130.7	0	0	111
833	F	33.2	Very low	31.7	Very low	213 Å²	213	142.6 Å²	142.6	93%	0.934	79%	0.788	S	S	*	*				-157.2	123.5	127.3	-126.7	-83	0	0	0	110.4
834	D	33	Very low	31.6	Very low	131 Å²	131	145.7 Å²	145.7	70%	0.701	79%	0.791	S	S	*	*			trans	-75.2	149	173.2	-61.2	-77.3	0	0	0	111.4
835	D	34	Very low	31.4	Very low	129 Å²	129	145.9 Å²	145.9	69%	0.69	79%	0.785	S	S	*	*				-168.9	121.5	117.5	-116.5	-31.4	0	0	0	112.8
836	Q	32.4	Very low	31.3	Very low	163 Å²	163	144.7 Å²	144.7	76%	0.762	78%	0.784	S	S	*	*			trans	61.5	149.8	150.9	-62	161.7	58.5	0	0	118.3
837	L	29.5	Very low	31.3	Very low	157 Å²	157	143.1 Å²	143.1	82%	0.822	79%	0.788	S	S	*	*			cis	-142.5	132.5	9.8	-174.2	65.9	0	0	0	110.9
838	S	27	Very low	31.3	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	79%	0.786	S	S	*	*			trans	-100.1	128.3	169.2	50.4	0	0	0	0	110.9
839	A	28.5	Very low	31.2	Very low	97 Å²	97	137 Å²	137	80%	0.802	78%	0.783	S	S	*	*			trans	176.5	122.8	150.6	0	0	0	0	0	112.1
840	A	29.7	Very low	31.1	Very low	111 Å²	111	136.5 Å²	136.5	92%	0.917	78%	0.781	S	S	*	*			trans	-157.2	42.9	160.3	0	0	0	0	0	111.4
841	S	26.7	Very low	31.3	Very low	94 Å²	94	139.2 Å²	139.2	66%	0.657	78%	0.778	S	S	*	*			trans	-146.7	140	175.2	59.2	0	0	0	0	109.3
842	H	32.4	Very low	31.4	Very low	175 Å²	175	135.4 Å²	135.4	81%	0.81	76%	0.764	S	S	*	*			trans	70	117.7	-160.7	-54.1	-88.5	0	0	0	111.6
843	V	29.3	Very low	31.4	Very low	118 Å²	118	133.4 Å²	133.4	72%	0.715	76%	0.759	S	S	*	*				72.5	94.2	52.3	-177.9	0	0	0	0	111.9
844	F	30.6	Very low	31.4	Very low	189 Å²	189	128.5 Å²	128.5	83%	0.829	75%	0.747	S	S	*	*				-168.9	177.2	119.9	-108	-68.4	0	0	0	111.4
845	D	29.2	Very low	31.3	Very low	126 Å²	126	128.8 Å²	128.8	67%	0.674	75%	0.747	S	S	*	*			trans	-89.1	167.2	-158.4	-62.1	-76.4	0	0	0	117.8
846	N	31	Very low	31.1	Very low	149 Å²	149	130.9 Å²	130.9	80%	0.797	75%	0.75	S	S	*	*			trans	78.5	114.9	143.3	-81.2	-43.6	0	0	0	122.2
847	S	30.2	Very low	30.8	Very low	127 Å²	127	128 Å²	128	89%	0.888	75%	0.748	S	S	*	*				65.2	127.8	124.4	-162.3	0	0	0	0	120.3
848	G	31.4	Very low	30.9	Very low	73 Å²	73	126 Å²	126	75%	0.753	75%	0.747	S	S	*	*			trans	172	30.1	172.3	0	0	0	0	0	122
849	N	32.2	Very low	30.9	Very low	140 Å²	140	129.1 Å²	129.1	75%	0.749	75%	0.749	S	S	*	*			trans	32.4	117.3	157.5	-97.2	-2.6	0	0	0	121.7
850	N	34.4	Very low	31.2	Very low	118 Å²	118	129 Å²	129	63%	0.631	74%	0.74	S	S	*	*				80.5	135	121.4	-68.7	-9.1	0	0	0	124.1
851	N	35.3	Very low	31.2	Very low	127 Å²	127	131.3 Å²	131.3	68%	0.679	74%	0.736	S	S	*	*			trans	75.3	136.4	142.1	-62.4	-2	0	0	0	118.5
852	N	35.2	Very low	31	Very low	118 Å²	118	132.4 Å²	132.4	63%	0.631	74%	0.742	S	S	*	*			cis	-167.9	165.8	5	-113.9	-12.5	0	0	0	112.1
853	N	35	Very low	30.9	Very low	135 Å²	135	129.1 Å²	129.1	72%	0.722	74%	0.739	S	S	*	*			trans	70.1	142.7	156.3	-61.4	-15	0	0	0	118.3
854	T	32.5	Very low	30.8	Very low	109 Å²	109	129.5 Å²	129.5	67%	0.669	74%	0.741	S	S	*	*			cis	-161.4	133.5	-0.6	10.2	0	0	0	0	109.8
855	I	30.9	Very low	30.7	Very low	137 Å²	137	126.5 Å²	126.5	70%	0.703	74%	0.744	S	S	*	*				62.6	134.3	103.1	-73.2	-173.5	0	0	0	115.3
856	K	30.1	Very low	30.7	Very low	173 Å²	173	123.6 Å²	123.6	75%	0.752	74%	0.743	S	S	*	*			cis	-166.2	143.7	-4.5	-99.9	177.8	-164.7	173.5	0	106.6
857	S	26.2	Very low	30.5	Very low	104 Å²	104	123.8 Å²	123.8	73%	0.727	74%	0.743	S	S	*	*				89.5	88.9	56.3	87	0	0	0	0	117.5
858	S	30.3	Very low	30.5	Very low	113 Å²	113	125.3 Å²	125.3	79%	0.79	74%	0.736	S	S	*	*			trans	-178.4	149.3	161.5	48.5	0	0	0	0	109.4
859	Q	28.5	Very low	30.4	Very low	178 Å²	178	127 Å²	127	83%	0.832	73%	0.732	S	S	*	*			cis	77.8	140.8	-11.5	-64.3	-102.7	-14.2	0	0	119.4
860	P	33.4	Very low	30.4	Very low	96 Å²	96	125.6 Å²	125.6	62%	0.623	73%	0.729	S	S	*	*			cis	-143.7	-155.8	-29.5	33.4	-9.2	0	0	0	114.3
861	I	29.5	Very low	30	Very low	159 Å²	159	128.9 Å²	128.9	82%	0.815	74%	0.74	S	S	*	*			trans	102	141.7	156.3	-62.9	155.5	0	0	0	119.4
862	C	23.4	Very low	29.8	Very low	117 Å²	117	127.9 Å²	127.9	79%	0.791	74%	0.738	S	S	*	*			trans	-99.4	157.8	-178.8	-40.1	0	0	0	0	112.8
863	S	30	Very low	29.6	Very low	106 Å²	106	129.2 Å²	129.2	74%	0.741	74%	0.744	S	S	*	*				-178.9	120.7	129.7	57.9	0	0	0	0	114.9
864	T	27.4	Very low	29.4	Very low	125 Å²	125	132.2 Å²	132.2	77%	0.767	75%	0.754	S	S	*	*			trans	17.2	144.9	140.1	57.2	0	0	0	0	124.1
865	S	28.1	Very low	29.2	Very low	126 Å²	126	133.7 Å²	133.7	88%	0.881	76%	0.758	S	S	*	*			trans	83.7	151.4	142	77.2	0	0	0	0	121.5
866	G	29.6	Very low	29.1	Very low	65 Å²	65	135.7 Å²	135.7	67%	0.67	76%	0.764	S	S	*	*			trans	112.3	103.3	-173.3	0	0	0	0	0	112.1
867	I	27.8	Very low	29.1	Very low	153 Å²	153	132 Å²	132	79%	0.785	76%	0.757	S	S	*	*			cis	68.7	116	46.7	-56.8	176.4	0	0	0	110.3
868	E	29.1	Very low	29.3	Very low	160 Å²	160	133.4 Å²	133.4	75%	0.748	76%	0.757	S	S	*	*			cis	-160.2	170.5	4.3	-126.1	174.6	173.9	0	0	113.6
869	T	30.2	Very low	29.4	Very low	108 Å²	108	134.4 Å²	134.4	66%	0.663	75%	0.749	S	S	*	*			trans	10.5	158.3	150.5	53.6	0	0	0	0	122.7
870	T	30.9	Very low	29.5	Very low	111 Å²	111	134.2 Å²	134.2	68%	0.681	75%	0.747	S	S	*	*			cis	-166.7	155.5	10	4.2	0	0	0	0	110.4	T872	T870-T872 HydrophobicContact CG2-CG2 4.43Å
871	E	26.3	Very low	29.5	Very low	187 Å²	187	138 Å²	138	87%	0.874	75%	0.751	S	S	*	*				-158.7	137.1	119.8	-126.6	179.8	-158.4	0	0	109.9
872	T	31.6	Very low	29.6	Very low	105 Å²	105	136.6 Å²	136.6	64%	0.644	74%	0.743	S	S	*	*			trans	-126.9	127.6	-167.7	46.9	0	0	0	0	113.9	T870	T870-T872 HydrophobicContact CG2-CG2 4.43Å
873	I	31.2	Very low	30	Very low	146 Å²	146	139.3 Å²	139.3	75%	0.749	74%	0.738	S	S	*	*			trans	51.9	111.5	134.9	-52	167.6	0	0	0	116.4
874	Q	29.6	Very low	30	Very low	199 Å²	199	138.8 Å²	138.8	93%	0.93	73%	0.734	S	S	*	*			trans	-132.9	140.4	139.6	-142.5	170.5	17.5	0	0	110.8
875	N	28.7	Very low	30.1	Very low	139 Å²	139	143.6 Å²	143.6	74%	0.743	74%	0.739	S	S	*	*			trans	-67.3	140.1	-159.4	-59.8	-40.3	0	0	0	114
876	H	29.9	Very low	30.2	Very low	180 Å²	180	146.5 Å²	146.5	83%	0.833	74%	0.74	S	S	*	*			trans	-134.3	132.6	144.1	-132.3	-82.5	0	0	0	108.8
877	P	30.1	Very low	30.2	Very low	95 Å²	95	147.8 Å²	147.8	62%	0.617	74%	0.739	S	S	*	*			trans	-74.7	177.8	173.3	33.2	-36.7	0	0	0	111.6
878	D	30.4	Very low	30.2	Very low	133 Å²	133	148.5 Å²	148.5	71%	0.711	74%	0.743	S	S	*	*			trans	97.6	110.6	165.2	-57.4	-22.1	0	0	0	118.9
879	H	31.2	Very low	30.3	Very low	135 Å²	135	146.6 Å²	146.6	63%	0.625	74%	0.742	S	S	*	*			trans	55.2	90.5	143.2	-66.9	-59	0	0	0	120.6
880	H	31.5	Very low	30.2	Very low	173 Å²	173	146.8 Å²	146.8	80%	0.801	75%	0.748	S	S	*	*			trans	-106.4	98.2	145.3	-96.3	-105.1	0	0	0	111.4
881	Y	32.5	Very low	30.3	Very low	177 Å²	177	150.6 Å²	150.6	69%	0.694	76%	0.758	S	S	*	*			trans	-97.8	95.3	162.1	-100.1	-91.3	0	0	0	108.5	Y883	Y881-Y883 PolarHBondContact O-N 3.46Å
882	I	31.2	Very low	30.5	Very low	129 Å²	129	149.4 Å²	149.4	66%	0.662	75%	0.752	S	S	*	*			trans	-83.6	94.8	176.8	-60.3	178.5	0	0	0	108.9	S884	I882-S884 WeakPolarHBondContact CG2-OG 3.22Å; I882-S884 PolarHBondContact O-N 3.12Å
883	Y	32.8	Very low	30.6	Very low	174 Å²	174	152.6 Å²	152.6	68%	0.682	76%	0.764	S	S	*	*			trans	-89.1	73.5	169	-114	-85.6	0	0	0	109.8	K536 Y881 R885	K536-Y883 PolarHBondContact NZ-OH 3.42Å; Y881-Y883 PolarHBondContact O-N 3.46Å; Y883-R885 PolarHBondContact O-N 3.46Å
884	S	30.8	Very low	30.6	Very low	95 Å²	95	152.2 Å²	152.2	66%	0.664	76%	0.762	S	S	*	*			trans	-69.5	116.7	171.8	-70.5	0	0	0	0	110.3	I882 M886	I882-S884 WeakPolarHBondContact CG2-OG 3.22Å; I882-S884 PolarHBondContact O-N 3.12Å; S884-M886 PolarHBondContact O-N 2.89Å
885	R	29.1	Very low	31	Very low	226 Å²	226	147.7 Å²	147.7	85%	0.853	75%	0.75	S	S	*	*			trans	-64.7	96.8	159.7	-90.1	179.4	161.5	179.1	-5.8	107.9	Y883 S887	Y883-R885 PolarHBondContact O-N 3.46Å; R885-S887 PolarHBondContact O-N 3.24Å
886	M	30.3	Very low	31.2	Very low	187 Å²	187	148.3 Å²	148.3	92%	0.921	75%	0.753	S	S	*	*			trans	-83.7	88.5	168	-159.5	157.9	-175.8	0	0	108.6	S884	S884-M886 PolarHBondContact O-N 2.89Å
887	S	29.1	Very low	31.1	Very low	92 Å²	92	144.4 Å²	144.4	64%	0.643	75%	0.746	S	S	*	*			trans	-64.5	142.6	165.5	-64.1	0	0	0	0	109.1	R885 V889	R885-S887 PolarHBondContact O-N 3.24Å; S887-V889 PolarHBondContact O-N 3.22Å
888	I	28.5	Very low	31.2	Very low	167 Å²	167	146.8 Å²	146.8	86%	0.856	75%	0.752	S	S	*	*			trans	-72.1	115.3	169.3	-61	167.3	0	0	0	107.4
889	V	30.1	Very low	31.2	Very low	121 Å²	121	149.1 Å²	149.1	73%	0.733	76%	0.759	S	S	*	*			trans	-135.3	124.8	163.9	179.8	0	0	0	0	105.8	S887	S887-V889 PolarHBondContact O-N 3.22Å
890	S	28.8	Very low	30.9	Very low	112 Å²	112	150.9 Å²	150.9	78%	0.783	77%	0.771	S	S	*	*			trans	-89.5	135.8	173.1	-53.9	0	0	0	0	108.8
891	E	32.5	Very low	30.7	Very low	190 Å²	190	148 Å²	148	89%	0.888	77%	0.771	S	S	*	*			trans	-150.8	150.4	166.4	-137.4	162.4	-146.8	0	0	109
892	E	30.7	Very low	30.5	Very low	162 Å²	162	144.1 Å²	144.1	76%	0.757	77%	0.769	S	S	*	*			trans	-97.6	145.7	-158.8	-57.9	168.3	104.2	0	0	113.6
893	I	33.7	Very low	30.5	Very low	173 Å²	173	145.2 Å²	145.2	89%	0.887	78%	0.776	S	S	*	*			trans	-135.3	117.1	145.5	-60.7	-175.2	0	0	0	107.8
894	L	32.3	Very low	30.2	Very low	138 Å²	138	144.6 Å²	144.6	72%	0.723	78%	0.783	S	S	*	*			trans	-79.6	171.9	178.9	-110.2	72.5	0	0	0	112.3
895	P	36.5	Very low	30.3	Very low	104 Å²	104	145.5 Å²	145.5	68%	0.675	79%	0.787	S	S	*	*			trans	-105.3	-173	-151.6	41.8	-39.7	0	0	0	114.1
896	N	32.9	Very low	30.1	Very low	152 Å²	152	139.8 Å²	139.8	81%	0.813	78%	0.78	S	S	*	*			trans	-159.1	133.9	136.4	-102.9	-42.3	0	0	0	113.7
897	S	28.9	Very low	29.8	Very low	97 Å²	97	136.5 Å²	136.5	68%	0.678	77%	0.774	S	S	*	*			trans	28.6	134.9	149.4	64.8	0	0	0	0	120.5
898	I	31.5	Very low	29.9	Very low	146 Å²	146	138.8 Å²	138.8	75%	0.749	78%	0.784	S	S	*	*				-157.8	135.3	78.1	-93.2	161.2	0	0	0	113.3
899	Q	30.7	Very low	29.8	Very low	182 Å²	182	137.1 Å²	137.1	85%	0.85	78%	0.782	S	S	*	*			trans	25.8	126.7	155.9	-57.3	-175.4	-69.4	0	0	122.5
900	I	23.8	Very low	29.8	Very low	172 Å²	172	139.4 Å²	139.4	88%	0.882	79%	0.789	S	S	*	*			trans	-92.4	138.2	148.2	-62.4	164.4	0	0	0	107.9
901	S	28	Very low	29.6	Very low	113 Å²	113	140 Å²	140	79%	0.79	78%	0.784	S	S	*	*			trans	-138.9	153.3	148.4	71.4	0	0	0	0	109.6
902	S	28	Very low	29.6	Very low	94 Å²	94	137.8 Å²	137.8	66%	0.657	78%	0.783	S	S	*	*			trans	-75.9	156.5	173.9	53.8	0	0	0	0	111.3
903	D	30.9	Very low	29.5	Very low	152 Å²	152	133.4 Å²	133.4	81%	0.813	77%	0.77	S	S	*	*				-176.2	156.4	103.9	-84.6	-9.1	0	0	0	111.7
904	I	28.4	Very low	29.2	Very low	162 Å²	162	132.3 Å²	132.3	83%	0.831	77%	0.766	S	S	*	*			trans	-123.4	128.3	-177.2	-71.9	170.4	0	0	0	105.8
905	P	31.1	Very low	29.2	Very low	113 Å²	113	132 Å²	132	73%	0.734	77%	0.77	S	S	*	*				-156.2	153.5	98.3	39.5	-19.8	0	0	0	119.4
906	C	25.8	Very low	29	Very low	107 Å²	107	133.2 Å²	133.2	72%	0.723	77%	0.769	S	S	*	*			trans	49	120.9	136.4	-62.3	0	0	0	0	123.3
907	C	24.8	Very low	28.9	Very low	118 Å²	118	133.8 Å²	133.8	80%	0.797	77%	0.767	S	S	*	*				60.8	105.9	124.3	-55.8	0	0	0	0	120.9
908	T	30	Very low	28.9	Very low	139 Å²	139	135.7 Å²	135.7	85%	0.853	77%	0.769	S	S	*	*			trans	-137.8	132.5	133.1	-40.4	0	0	0	0	110.4
909	V	26.8	Very low	29	Very low	132 Å²	132	136.4 Å²	136.4	80%	0.8	78%	0.775	S	S	*	*			trans	-92.2	136.5	168.1	173.6	0	0	0	0	108.6
910	L	30	Very low	29	Very low	170 Å²	170	134 Å²	134	89%	0.89	77%	0.767	S	S	*	*			trans	-138	138.7	152.9	-100.7	176.3	0	0	0	110.4
911	N	25.3	Very low	29.4	Very low	125 Å²	125	132.5 Å²	132.5	67%	0.668	76%	0.761	S	S	*	*			trans	-120.8	137.5	-175.6	-176	41.1	0	0	0	108.8	S913	N911-S913 PolarHBondContact ND2-OG 3.01Å
912	V	32	Very low	29.5	Very low	143 Å²	143	132.4 Å²	132.4	87%	0.867	76%	0.756	S	S	*	*			trans	-138.4	129.2	169.5	-177.5	0	0	0	0	107.4
913	S	27.6	Very low	29.5	Very low	70 Å²	70	136 Å²	136	49%	0.49	77%	0.765	S	S	.	*			trans	-112.4	178.2	-166.2	-52.5	0	0	0	0	112.7	N911	N911-S913 PolarHBondContact ND2-OG 3.01Å
914	D	28.7	Very low	29.4	Very low	150 Å²	150	133 Å²	133	80%	0.802	76%	0.756	S	S	*	*			trans	83.8	162.9	148.7	-53.7	-33.9	0	0	0	120.3
915	V	31.8	Very low	29.3	Very low	132 Å²	132	131 Å²	131	80%	0.8	76%	0.756	S	S	*	*			trans	82.2	121.9	174.4	-168.8	0	0	0	0	116.5
916	I	31.2	Very low	29.5	Very low	129 Å²	129	129.7 Å²	129.7	66%	0.662	76%	0.755	S	S	*	*			cis	-172.8	148.4	-33	-114.1	162.5	0	0	0	108.9
917	Q	32.5	Very low	29.8	Very low	164 Å²	164	132.9 Å²	132.9	77%	0.766	76%	0.759	S	S	*	*			trans	54.6	123.9	162.4	-73.5	163.1	-35.3	0	0	118.4
918	N	28.2	Very low	30.3	Very low	136 Å²	136	134.8 Å²	134.8	73%	0.727	76%	0.761	S	S	*	*				64.2	120.9	72.5	-72.5	34.4	0	0	0	114.4
919	D	34.2	Very low	30.3	Very low	162 Å²	162	131.2 Å²	131.2	87%	0.866	75%	0.752	S	S	*	*				-162.1	153	109.9	-96.7	-14.9	0	0	0	110.9
920	D	29.5	Very low	30.8	Very low	130 Å²	130	132.9 Å²	132.9	70%	0.695	76%	0.757	S	S	*	*			trans	-89.8	163.4	-173.2	-61.5	-75.1	0	0	0	113.7
921	N	32.7	Very low	30.9	Very low	142 Å²	142	131.7 Å²	131.7	76%	0.759	75%	0.751	S	S	*	*				155.6	108.7	117.4	-82.6	-68.4	0	0	0	115.5
922	T	29.2	Very low	31.4	Very low	111 Å²	111	135.1 Å²	135.1	68%	0.681	76%	0.763	S	S	*	*				41.9	149.3	125.6	55.5	0	0	0	0	124.7
923	M	29.6	Very low	31.5	Very low	169 Å²	169	135.6 Å²	135.6	83%	0.833	76%	0.76	S	S	*	*			trans	75.6	150	153.6	-75.7	158.5	53.4	0	0	119.7
924	S	27.2	Very low	31.6	Very low	90 Å²	90	141 Å²	141	63%	0.629	78%	0.778	S	S	*	*			cis	-175	145.3	-27.5	50.3	0	0	0	0	112.1
925	S	27.3	Very low	31.7	Very low	118 Å²	118	141.3 Å²	141.3	83%	0.825	78%	0.779	S	S	*	*			trans	52.4	118.7	146	-51.4	0	0	0	0	122.9
926	A	34.3	Very low	31.5	Very low	87 Å²	87	139.6 Å²	139.6	72%	0.719	77%	0.773	S	S	*	*			trans	-179	137.8	136.7	0	0	0	0	0	106.8
927	E	32.7	Very low	31.3	Very low	173 Å²	173	138.4 Å²	138.4	81%	0.808	78%	0.776	S	S	*	*			cis	66.2	122.7	41.7	-58.1	179.4	157.7	0	0	110.8
928	D	35.1	Very low	31	Very low	158 Å²	158	142.6 Å²	142.6	85%	0.845	79%	0.785	S	S	*	*			cis	-125	179.8	7.1	-70.1	-59.4	0	0	0	110
929	G	31.1	Very low	31	Very low	64 Å²	64	142.9 Å²	142.9	66%	0.66	78%	0.782	S	S	*	*			cis	112.1	111.9	12.6	0	0	0	0	0	111
930	D	37.1	Very low	30.7	Very low	168 Å²	168	141.9 Å²	141.9	90%	0.898	78%	0.782	S	S	*	*			trans	-170.1	150.5	165.1	-108.2	-21.9	0	0	0	110.2
931	D	32.7	Very low	30.8	Very low	145 Å²	145	143.2 Å²	143.2	78%	0.775	78%	0.781	S	S	*	*			trans	-97.9	161	-167.8	-62.2	-68.5	0	0	0	115
932	E	35.5	Very low	30.6	Very low	196 Å²	196	142.7 Å²	142.7	92%	0.916	78%	0.783	S	S	*	*				-168.5	163.4	110	-107	-167.9	158.5	0	0	113.3
933	L	33.8	Very low	30.6	Very low	153 Å²	153	146.7 Å²	146.7	80%	0.801	80%	0.797	S	S	*	*			trans	-92.5	169.2	-160.9	-94	78.8	0	0	0	116.3
934	E	29.6	Very low	30.5	Very low	184 Å²	184	148.2 Å²	148.2	86%	0.86	80%	0.799	S	S	*	*			trans	-48.8	141.9	157.2	-47.4	176.6	110.8	0	0	112.2
935	D	31.2	Very low	30.6	Very low	156 Å²	156	149.9 Å²	149.9	83%	0.834	81%	0.81	S	S	*	*				-158.4	173.7	114.3	-139.6	-33.3	0	0	0	112.8
936	S	26.5	Very low	30.7	Very low	96 Å²	96	150.2 Å²	150.2	67%	0.671	81%	0.808	S	S	*	*			trans	-77.9	-169.7	-161.7	59.7	0	0	0	0	117.8
937	S	27.4	Very low	30.6	Very low	104 Å²	104	154 Å²	154	73%	0.727	82%	0.816	S	S	*	*			trans	98.1	99.4	147.6	-152.4	0	0	0	0	118.6
938	W	26.8	Very low	30.2	Very low	253 Å²	253	154.6 Å²	154.6	96%	0.958	82%	0.815	S	S	*	*			trans	-65.2	120.9	165.1	-34.2	68.4	0	0	0	111.6
939	E	28.5	Very low	29.9	Very low	141 Å²	141	154.7 Å²	154.7	66%	0.659	81%	0.814	S	S	*	*			trans	-149	155.8	142.7	-116.8	-153.1	166.8	0	0	113.6	K941	E939-K941 WeakPolarHBondContact OE1-CE 3.32Å; E939-K941 IonicContact OE1-NZ 2.66Å; E939-K941 PolarHBondContact OE1-NZ 3.33Å; E939-K941 WeakPolarHBondContact OE2-CE 3.36Å; E939-K941 IonicContact OE2-NZ 2.64Å; E939-K941 PolarHBondContact OE2-NZ 2.99Å
940	V	28	Very low	29.7	Very low	142 Å²	142	158.8 Å²	158.8	86%	0.861	82%	0.816	S	S	*	*			trans	-128	102.2	177.1	175.1	0	0	0	0	108.5
941	K	30.2	Very low	29.4	Very low	158 Å²	158	159.8 Å²	159.8	69%	0.687	82%	0.817	S	S	*	*			trans	-130.9	111.2	170.7	-82.5	171.5	-169.6	142.6	0	111.9	E939	E939-K941 WeakPolarHBondContact OE1-CE 3.32Å; E939-K941 IonicContact OE1-NZ 2.66Å; E939-K941 PolarHBondContact OE1-NZ 3.33Å; E939-K941 WeakPolarHBondContact OE2-CE 3.36Å; E939-K941 IonicContact OE2-NZ 2.64Å; E939-K941 PolarHBondContact OE2-NZ 2.99Å
942	T	28.8	Very low	29	Very low	131 Å²	131	158.3 Å²	158.3	80%	0.804	81%	0.81	S	S	*	*			trans	-33.1	145.5	164.7	52.1	0	0	0	0	116.5
943	M	29.3	Very low	28.8	Very low	194 Å²	194	155.5 Å²	155.5	96%	0.956	81%	0.81	S	S	*	*				-143.1	155.3	128.3	-120.2	-177	-173.8	0	0	112.2
944	K	27.7	Very low	28.4	Very low	202 Å²	202	154.5 Å²	154.5	88%	0.878	81%	0.805	S	S	*	*			trans	-102.7	141.1	170.7	-59.1	172.3	-178.9	173.2	0	108.4
945	S	30.1	Very low	28.6	Very low	124 Å²	124	154 Å²	154	87%	0.867	81%	0.805	S	S	*	*			trans	-151.8	154.4	133.5	66.4	0	0	0	0	109.9
946	T	28.6	Very low	28.5	Very low	126 Å²	126	152.6 Å²	152.6	77%	0.773	80%	0.798	S	S	*	*			trans	-90.9	140.8	171.4	46.1	0	0	0	0	109.5
947	N	31.1	Very low	28.7	Very low	167 Å²	167	153.9 Å²	153.9	89%	0.893	80%	0.802	S	S	*	*			trans	-155.7	166.5	133.8	-108.1	-27.3	0	0	0	113.3
948	K	25.2	Very low	28.9	Very low	184 Å²	184	155.3 Å²	155.3	80%	0.8	81%	0.806	S	S	*	*			trans	-133.3	109	-159.9	171	-161.6	175.8	-169.8	0	109
949	I	29.1	Very low	29.3	Very low	160 Å²	160	148.6 Å²	148.6	82%	0.821	80%	0.795	S	S	*	*			trans	-133.5	131.1	177	-64.2	-176.8	0	0	0	109.5
950	H	26.5	Very low	29.4	Very low	151 Å²	151	152.8 Å²	152.8	70%	0.699	81%	0.805	S	S	*	*			trans	-75.9	148.7	167.7	-91.8	-120.8	0	0	0	110.3
951	M	31.2	Very low	29.5	Very low	188 Å²	188	155.4 Å²	155.4	93%	0.926	80%	0.804	S	S	*	*			trans	-139.8	130.8	134.3	-78	-159.5	163.7	0	0	110.2
952	N	25	Very low	29.6	Very low	114 Å²	114	152.1 Å²	152.1	61%	0.61	80%	0.801	S	S	*	*			trans	-89.4	155.6	162.3	-70.5	27.2	0	0	0	108.5
953	C	29.8	Very low	29.7	Very low	137 Å²	137	151.7 Å²	151.7	93%	0.926	80%	0.798	S	S	*	*			trans	-147.4	109	149.5	-95.8	0	0	0	0	108.7
954	D	25.4	Very low	29.8	Very low	132 Å²	132	147.3 Å²	147.3	71%	0.706	79%	0.787	S	S	*	*			trans	-91.5	144.4	172.7	-70.4	-75.2	0	0	0	110.8
955	M	33.6	Very low	29.9	Very low	174 Å²	174	145 Å²	145	86%	0.857	78%	0.783	S	S	*	*			trans	-146.6	82.8	162.5	-92.9	-60.1	179.4	0	0	112.4
956	N	30.8	Very low	29.9	Very low	127 Å²	127	144.8 Å²	144.8	68%	0.679	78%	0.777	S	S	*	*			trans	39.3	114.6	135.9	-61	-28.5	0	0	0	121.8
957	T	30.1	Very low	30	Very low	123 Å²	123	144.1 Å²	144.1	76%	0.755	77%	0.773	S	S	*	*				39.5	140.6	124.9	64.2	0	0	0	0	121
958	V	31.4	Very low	30	Very low	133 Å²	133	140.7 Å²	140.7	81%	0.806	76%	0.762	S	S	*	*				-161.9	149.7	60.5	165.9	0	0	0	0	111.6
959	P	34.2	Very low	30.3	Very low	112 Å²	112	136.9 Å²	136.9	73%	0.727	76%	0.755	S	S	*	*			trans	-122.3	165.9	-178.6	42.3	-32.6	0	0	0	117.5
960	R	31.6	Very low	30.4	Very low	230 Å²	230	136.3 Å²	136.3	87%	0.868	75%	0.752	S	S	*	*			trans	-171	126	154.8	-101.4	157.2	-164.8	-148.4	4.2	110
961	K	30	Very low	30.6	Very low	197 Å²	197	136.6 Å²	136.6	86%	0.857	75%	0.752	S	S	*	*				73	138.3	88.2	-74.5	-163.6	177.4	-169.1	0	115.2
962	S	31.2	Very low	30.7	Very low	88 Å²	88	133 Å²	133	62%	0.615	74%	0.736	S	S	*	*			cis	-179.7	148.5	-2.4	45.7	0	0	0	0	115
963	T	31	Very low	31.2	Very low	122 Å²	122	132.7 Å²	132.7	75%	0.748	73%	0.734	S	S	*	*			trans	62.1	152.5	147.7	49.3	0	0	0	0	119.8
964	S	31.2	Very low	31.4	Very low	102 Å²	102	132 Å²	132	71%	0.713	72%	0.722	S	S	*	*			cis	-167.8	141.9	2.6	36.7	0	0	0	0	109.1
965	L	31	Very low	31.8	Very low	154 Å²	154	131.1 Å²	131.1	81%	0.806	72%	0.717	S	S	*	*				90.1	143.7	65.7	-144.3	160.4	0	0	0	114.1
966	T	30.5	Very low	31.9	Very low	119 Å²	119	130 Å²	130	73%	0.73	71%	0.714	S	S	*	*			trans	82.9	146.9	177	79	0	0	0	0	116.6
967	T	31.1	Very low	32	Very low	113 Å²	113	130.4 Å²	130.4	69%	0.693	72%	0.716	S	S	*	*			cis	-157.8	136.2	-8.7	6.4	0	0	0	0	108.4
968	S	30.4	Very low	32.3	Very low	95 Å²	95	132.2 Å²	132.2	66%	0.664	72%	0.721	S	S	*	*				59.5	159.1	104.3	87.3	0	0	0	0	117.1
969	T	31.5	Very low	32.4	Very low	104 Å²	104	132.6 Å²	132.6	64%	0.638	72%	0.719	S	S	*	*			cis	-173.1	157.5	30	-8.7	0	0	0	0	111.2
970	L	31.2	Very low	32.2	Very low	148 Å²	148	133.8 Å²	133.8	78%	0.775	73%	0.729	S	S	*	*			trans	69.2	155	145.7	-64.1	165	0	0	0	120.2
971	K	31.4	Very low	32.2	Very low	157 Å²	157	129.3 Å²	129.3	68%	0.683	72%	0.722	S	S	*	*			cis	-177.9	156	-30.3	-143.1	-162.2	-174.1	174.5	0	111.7
972	N	33.1	Very low	32.6	Very low	111 Å²	111	129.6 Å²	129.6	59%	0.594	72%	0.723	S	S	*	*			trans	62.5	162.3	144.7	-91.1	45.4	0	0	0	119.4
973	N	34.1	Very low	32.6	Very low	108 Å²	108	131.8 Å²	131.8	58%	0.578	73%	0.728	S	S	*	*			cis	-169.8	160.2	-24.7	-118.5	36.6	0	0	0	109.8
974	N	34.5	Very low	33	Very low	124 Å²	124	133.6 Å²	133.6	66%	0.663	73%	0.733	S	S	*	*			trans	64.4	162.2	149.6	-68.3	25	0	0	0	117.3
975	N	34.2	Very low	33.2	Very low	112 Å²	112	134.7 Å²	134.7	60%	0.599	73%	0.731	S	S	*	*			cis	-161.5	160.5	-21.2	-106.8	12.2	0	0	0	106.4
976	D	35.6	Very low	33.5	Very low	152 Å²	152	133.7 Å²	133.7	81%	0.813	73%	0.726	S	S	*	*				-179.9	168.2	109.3	-90.8	-26.6	0	0	0	111.6
977	N	33.3	Very low	33.7	Very low	134 Å²	134	133.8 Å²	133.8	72%	0.717	72%	0.722	S	S	*	*			trans	-110.4	166.6	-170.8	-47.2	-94	0	0	0	110.2
978	D	35.8	Very low	33.9	Very low	161 Å²	161	134.6 Å²	134.6	86%	0.861	72%	0.723	S	S	*	*				-151.3	164.5	124.9	-128.6	-32.5	0	0	0	114.2
979	N	33.3	Very low	34.2	Very low	141 Å²	141	137.6 Å²	137.6	75%	0.754	73%	0.731	S	S	*	*			trans	-105.7	155.1	-172	-73.9	-89	0	0	0	113.4
980	C	29.7	Very low	34.3	Very low	138 Å²	138	139.4 Å²	139.4	93%	0.932	74%	0.737	S	S	*	*			trans	-151.7	155.3	136.6	-131.7	0	0	0	0	112.6
981	N	33.2	Very low	34.5	Very low	136 Å²	136	139 Å²	139	73%	0.727	74%	0.741	S	S	*	*			trans	-145.1	147.8	-163.3	-165	2.5	0	0	0	110.7
982	K	36.3	Very low	34.6	Very low	203 Å²	203	138.3 Å²	138.3	88%	0.883	74%	0.744	S	S	*	*			trans	-163.3	135.7	167.1	-114.5	162.4	-173	174.2	0	113
983	N	33	Very low	34.7	Very low	134 Å²	134	140.1 Å²	140.1	72%	0.717	75%	0.754	S	S	*	*			trans	-100.1	168.2	173	-64.7	-48.8	0	0	0	110.5
984	D	38.4	Very low	34.7	Very low	160 Å²	160	141.6 Å²	141.6	86%	0.856	76%	0.762	S	S	*	*				-162.7	171	123	-112.9	-37.1	0	0	0	114.4
985	N	34.9	Very low	34.7	Very low	124 Å²	124	145.3 Å²	145.3	66%	0.663	77%	0.772	S	S	*	*			trans	-119.4	155.3	-164.1	-61.5	-87.9	0	0	0	114.7
986	N	37.1	Very low	34.6	Very low	134 Å²	134	148.9 Å²	148.9	72%	0.717	79%	0.785	S	S	*	*				153.8	132.1	115.9	-84	-54.6	0	0	0	118.4
987	N	36	Very low	34.6	Very low	121 Å²	121	151.4 Å²	151.4	65%	0.647	79%	0.789	S	S	*	*			trans	54.4	120	131.6	-59.4	-24.9	0	0	0	125.6
988	N	34.8	Very low	34.5	Very low	130 Å²	130	154.8 Å²	154.8	70%	0.695	80%	0.797	S	S	*	*				55	121.7	122.1	-52.2	-19.2	0	0	0	122.5
989	N	36.8	Very low	34.3	Very low	157 Å²	157	152.7 Å²	152.7	84%	0.84	79%	0.792	S	S	*	*				-179	167.9	97.1	-96.5	-54.3	0	0	0	114.9
990	N	33.5	Very low	34.2	Very low	143 Å²	143	154 Å²	154	77%	0.765	80%	0.797	S	S	*	*			trans	-85.1	154.9	-177.2	-63.8	-45.7	0	0	0	114.1
991	T	36.4	Very low	34.3	Very low	140 Å²	140	151.8 Å²	151.8	86%	0.859	79%	0.789	S	S	*	*				172.1	161.3	114.3	32.4	0	0	0	0	113.2
992	D	33	Very low	34.3	Very low	141 Å²	141	154.4 Å²	154.4	75%	0.754	79%	0.794	S	S	*	*			trans	-79.1	151.4	-171.8	-50.3	-97.7	0	0	0	115.4
993	N	35.9	Very low	33.9	Very low	149 Å²	149	156.7 Å²	156.7	80%	0.797	80%	0.797	S	S	*	*				-173.4	163.2	107.3	-108.5	-75.9	0	0	0	117.4
994	N	32.7	Very low	33.7	Very low	139 Å²	139	158.2 Å²	158.2	74%	0.743	80%	0.802	S	S	*	*			trans	-62	134.5	-176.3	-68.2	-86.8	0	0	0	116
995	K	34.8	Very low	33.3	Very low	202 Å²	202	157 Å²	157	88%	0.878	80%	0.795	S	S	*	*				-177.9	156.8	116.2	-99.7	157.2	-173.8	169.4	0	115.4
996	H	32.9	Very low	32.9	Very low	188 Å²	188	161.2 Å²	161.2	87%	0.87	80%	0.804	S	S	*	*			trans	-39.2	127	179.6	-70.9	-81.2	0	0	0	117.5
997	K	35.2	Very low	32.8	Very low	205 Å²	205	164.2 Å²	164.2	89%	0.891	83%	0.827	S	S	*	*			trans	-157.4	144.7	134.7	-106.7	157.1	-173.5	176.2	0	110.1
998	K	31	Very low	32.6	Very low	205 Å²	205	166.4 Å²	166.4	89%	0.891	84%	0.836	S	S	*	*			trans	-86.8	121	175.3	-67.5	176.2	179.6	175.3	0	109.1
999	P	32.4	Very low	32.5	Very low	116 Å²	116	168.3 Å²	168.3	75%	0.753	84%	0.843	S	S	*	*			trans	-76.4	133.9	169.6	30.4	-32.1	0	0	0	110.6	A1001	P999-A1001 PolarHBondContact O-N 2.79Å
1000	I	30.1	Very low	32.3	Very low	168 Å²	168	168.9 Å²	168.9	86%	0.862	84%	0.843	S	S	*	*			trans	-83	108.8	164.4	-67.6	170.8	0	0	0	106.7
1001	A	32	Very low	32.2	Very low	93 Å²	93	170.5 Å²	170.5	77%	0.769	85%	0.848	S	S	*	*			trans	-113.3	77.6	179.8	0	0	0	0	0	111.1	P999 R1003	P999-A1001 PolarHBondContact O-N 2.79Å; A1001-R1003 PolarHBondContact O-N 2.79Å
1002	K	32.2	Very low	31.9	Very low	191 Å²	191	172.4 Å²	172.4	83%	0.83	85%	0.847	S	S	*	*			trans	-83	87.3	155.8	-92.1	-167.2	172.3	-171.1	0	108
1003	R	29.6	Very low	31.9	Very low	250 Å²	250	174.5 Å²	174.5	94%	0.943	85%	0.853	S	S	*	*			trans	-85.3	123.2	156.5	-121	-179.7	-177.7	177.3	0.5	107.1	A1001	A1001-R1003 PolarHBondContact O-N 2.79Å
1004	M	27.6	Very low	31.6	Very low	166 Å²	166	176.3 Å²	176.3	82%	0.818	86%	0.857	S	S	*	*			trans	-128.7	100.1	-178.1	-174.1	163.4	174.1	0	0	105.9
1005	N	30.9	Very low	31.5	Very low	134 Å²	134	179.2 Å²	179.2	72%	0.717	87%	0.866	S	S	*	*			trans	-165.5	125.7	177.5	-113.5	2.5	0	0	0	109.3
1006	Y	26.4	Very low	31.2	Very low	213 Å²	213	177.3 Å²	177.3	84%	0.835	87%	0.865	S	S	*	*			trans	60.8	141.3	179.7	-51.6	-81.1	0	0	0	115.4
1007	V	34.1	Very low	31	Very low	198 Å²	198	176.3 Å²	176.3	100%	1.2	86%	0.864	S	S	*	*			cis	-121.1	0	3.4	176.7	0	0	0	0	110.2

Retrieved 1,007 of 1,007 residues in 457.7 ms (Link to these results)

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