A0A5K4ENT4_SCHMA Loading...

Dynamin-associated protein, putative

AlphaFold DB (A0A5K4EMV2), UniProt , Accession A0A5K4ENT4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 996 aa.

						>A0A5K4ENT4_SCHMA|A0A5K4ENT4
MSEWDRWVITTDDRVKHDAQFQFLKPVGGYITGDQARVFFMKSGLSVMVLGQIWALADMDMDGKMDKKEFSIAMFLIKKTLEGLPLPSTLPPGLKNDPQPAFITSGVTLSLSLVSDSGNNGLSSVSSIGQDSNSASTAYQDWIITSTNRPRYRLLFNQHDRNKRGFLTGVEARSILSQYGLPNPILAHIWNLADLNKNGNLNCDEFCIAIFLIEKAISGSQLPNTLPSGLLPSNQPRTFGHTSPSVTAKEDNESKENKSSLSFEDKRRENFRQGQAELDRRKQELAEKMRLDEEIRLENERLEREKQQKLRMEKERQQAAEAEKQAELSRQLEAQREQRRRQAVEQRMKAARDLEKQRQIESERIRTDALLKERNHMQTLLEQAVAHRASLLESASSQQQRLLELDSRLNVAQTEVDSHKTSINEMRSKRDAYERDIRDMTEQVEAAKAELTHWQREKEQLSLRMAAGVDMNPVMEQYKTLQSMREARIKTIEQLRNKLNELDQNMTQQGHELATRRNKIDDSQDRVTRTMLDLVDLRHSVEQKMQAYKLKRKSTDLSTSTSTTIESTQKELYEAMFDFTARHPDELSFTTGTLIDVFVNAPINVGPGWLYGQINDKVGLFPETYVRKKVDGKIDPFDPFGVHKITNTCVSSIMMTTTTIPTTINTPNTFSAINTNNSLTEPANDNLVASETTPTTKLNDITFPNNDFYGEVQQNWNVSMSTITLPENILTDQFLTLTVDDHVKITKENDNNKEWYFGEITDKSGIVNKGWFPACCLKPSTKSNTSNINQNGLNISSSSNSSSKQPDILFSCIALYPYESNVPGDLNLSVGDLIRVCVIKDDWWEGICERTKLKGLFPANYVRKLSSEETRSMEEKLDISGSTNNQMDHNDTINPPSLSKITPISSPKLMEANLNNCMASLLSSSNTSSTSSSGVIVCTQPEFARVIAPYKATSAGQLTLQPGQVVQLRKRSPKGWWEGELQVFSGSNLNLIDNED
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	68.7	Low	232 Å²	232	92.6 Å²	92.6	100%	1.143	45%	0.451	S	S	*	.				0	126.7	0	-69.2	173	172.4	0	0	106.1
2	S	50.8	Low	69.9	Low	60 Å²	60	92.7 Å²	92.7	42%	0.42	46%	0.455	S	S	.	.				-123	151.2	-100.4	-60.2	0	0	0	0	111.7	W4 D5	S2-W4 PolarHBondContact O-N 3.32Å; S2-W4 VanDerWaalsContact O-N 3.11Å; S2-D5 PolarHBondContact N-OD2 2.99Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 3.46Å
3	E	61.8	Low	71.4	Confident	152 Å²	152	87.2 Å²	87.2	71%	0.71	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-57.2	-32.2	-179.4	-74.7	179.7	102.9	0	0	112.9	D5 R6	E3-D5 VanDerWaalsContact C-N 3.27Å; E3-D5 PolarHBondContact O-N 3.02Å; E3-R6 PolarHBondContact O-N 3.44Å
4	W	66.6	Low	72.7	Confident	92 Å²	92	83.6 Å²	83.6	35%	0.348	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-65.3	-21	175.4	-50	110.1	0	0	0	114.6	S2 R6 W7 P87 P91	S2-W4 PolarHBondContact O-N 3.32Å; S2-W4 VanDerWaalsContact O-N 3.11Å; W4-R6 PolarHBondContact O-N 3.3Å; W4-W7 HydrophobicContact CE3-CD2 4.04Å; W4-W7 AromaticContact CE3-CE2 3.75Å; W4-W7 HydrophobicContact CE3-CG 4.4Å; W4-W7 HydrophobicContact CE3-CZ2 4.03Å; W4-W7 AromaticContact CE3-NE1 3.89Å; W4-W7 HydrophobicContact CH2-CZ2 4.46Å; W4-W7 HydrophobicContact CZ3-CD2 4.25Å; W4-W7 AromaticContact CZ3-CE2 3.73Å; W4-W7 HydrophobicContact CZ3-CE3 4.47Å; W4-W7 AromaticContact CZ3-CH2 3.8Å; W4-W7 HydrophobicContact CZ3-CH2 3.8Å; W4-W7 AromaticContact CZ3-CZ2 3.5Å; W4-W7 HydrophobicContact CZ3-CZ2 3.5Å; W4-W7 HydrophobicContact CZ3-CZ3 4.27Å; W4-W7 WeakPolarHBondContact O-CB 3.48Å; W4-W7 PolarHBondContact O-N 2.84Å; W4-P87 HydrophobicContact CE3-CB 3.95Å; W4-P87 HydrophobicContact CH2-CB 3.83Å; W4-P87 HydrophobicContact CZ2-CB 4.47Å; W4-P87 HydrophobicContact CZ3-CB 3.54Å; W4-P87 HydrophobicContact CZ3-CG 4.06Å; W4-P91 HydrophobicContact CB-CB 4.22Å; W4-P91 HydrophobicContact CB-CG 4.22Å; W4-P91 HydrophobicContact CD2-CG 4.49Å; W4-P91 HydrophobicContact CE3-CG 3.99Å
5	D	58.3	Low	73.7	Confident	99 Å²	99	84.3 Å²	84.3	53%	0.529	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-70.1	-12.9	-178.3	-61.9	-30.3	0	0	0	112.5	S2 E3	S2-D5 PolarHBondContact N-OD2 2.99Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 3.46Å; E3-D5 VanDerWaalsContact C-N 3.27Å; E3-D5 PolarHBondContact O-N 3.02Å
6	R	65.7	Low	74.8	Confident	206 Å²	206	86.3 Å²	86.3	78%	0.777	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-95.3	2.1	173.1	-73.8	-178.9	-73.4	-144.9	-1	114.2	E3 W4 V8	E3-R6 PolarHBondContact O-N 3.44Å; W4-R6 PolarHBondContact O-N 3.3Å; R6-V8 PolarHBondContact O-N 3.02Å; R6-V8 VanDerWaalsContact O-N 3.17Å
7	W	80.1	Confident	76	Confident	20 Å²	20	81.8 Å²	81.8	8%	0.076	40%	0.402	C	S	.	.			trans	-85.6	87	177.3	-70.6	51	0	0	0	109.4	W4 F75 L76 K79 L84 P87 P91 G93 L94	W4-W7 HydrophobicContact CE3-CD2 4.04Å; W4-W7 AromaticContact CE3-CE2 3.75Å; W4-W7 HydrophobicContact CE3-CG 4.4Å; W4-W7 HydrophobicContact CE3-CZ2 4.03Å; W4-W7 AromaticContact CE3-NE1 3.89Å; W4-W7 HydrophobicContact CH2-CZ2 4.46Å; W4-W7 HydrophobicContact CZ3-CD2 4.25Å; W4-W7 AromaticContact CZ3-CE2 3.73Å; W4-W7 HydrophobicContact CZ3-CE3 4.47Å; W4-W7 AromaticContact CZ3-CH2 3.8Å; W4-W7 HydrophobicContact CZ3-CH2 3.8Å; W4-W7 AromaticContact CZ3-CZ2 3.5Å; W4-W7 HydrophobicContact CZ3-CZ2 3.5Å; W4-W7 HydrophobicContact CZ3-CZ3 4.27Å; W4-W7 WeakPolarHBondContact O-CB 3.48Å; W4-W7 PolarHBondContact O-N 2.84Å; W7-F75 HydrophobicContact CB-CE1 4.1Å; W7-F75 HydrophobicContact CD2-CE1 4.22Å; W7-F75 HydrophobicContact CE3-CD1 4.39Å; W7-F75 AromaticContact CE3-CE1 3.9Å; W7-F75 HydrophobicContact CE3-CE1 3.9Å; W7-F75 HydrophobicContact CG-CE1 4.35Å; W7-L76 HydrophobicContact CE3-CD2 4.27Å; W7-L76 HydrophobicContact CZ3-CD2 3.86Å; W7-K79 HydrophobicContact CE3-CB 4.48Å; W7-K79 HydrophobicContact CE3-CG 4.19Å; W7-K79 HydrophobicContact CH2-CB 3.65Å; W7-K79 HydrophobicContact CH2-CG 4.12Å; W7-K79 HydrophobicContact CZ2-CB 4.31Å; W7-K79 HydrophobicContact CZ2-CG 4.49Å; W7-K79 HydrophobicContact CZ3-CB 3.75Å; W7-K79 HydrophobicContact CZ3-CG 3.96Å; W7-L84 HydrophobicContact CH2-CB 4.25Å; W7-L84 HydrophobicContact CZ2-CB 4.02Å; W7-L84 HydrophobicContact CZ2-CD1 3.96Å; W7-P87 HydrophobicContact CZ3-CG 4.37Å; W7-P91 HydrophobicContact CB-CB 4.45Å; W7-G93 CarbonylContact O-C 3.55Å; W7-G93 WeakPolarHBondContact O-CA 3.29Å; W7-L94 HydrophobicContact CB-CD1 4.1Å; W7-L94 HydrophobicContact CB-CG 4.47Å; W7-L94 HydrophobicContact CE3-CD1 3.98Å; W7-L94 PolarHBondContact O-N 3.17Å
8	V	82.3	Confident	76.8	Confident	47 Å²	47	79.7 Å²	79.7	29%	0.285	39%	0.393	S	S	.	.			trans	-132	137.2	-178.8	-179.7	0	0	0	0	109.6	R6 F75 Q99	R6-V8 PolarHBondContact O-N 3.02Å; R6-V8 VanDerWaalsContact O-N 3.17Å; V8-F75 VanDerWaalsContact O-CE2 3.23Å; V8-F75 WeakPolarHBondContact O-CE2 3.5Å; V8-Q99 HydrophobicContact CG1-CB 4.1Å; V8-Q99 HydrophobicContact CG1-CG 3.81Å
9	I	84.6	Confident	77.6	Confident	9 Å²	9	78.7 Å²	78.7	5%	0.046	40%	0.399	C	S	.	.			trans	-81.1	124.9	175.6	-45	-173.4	0	0	0	109.3	D13 R14 S71 I72 F75 L94 P98 Q99	I9-D13 HydrophobicContact CG2-CB 4.09Å; I9-R14 HydrophobicContact CG2-CB 4.17Å; I9-S71 WeakPolarHBondContact CD1-O 3.43Å; I9-S71 WeakPolarHBondContact CD1-OG 3.4Å; I9-I72 HydrophobicContact CD1-CG1 4.1Å; I9-F75 HydrophobicContact CB-CD2 4.49Å; I9-F75 HydrophobicContact CD1-CB 4.27Å; I9-F75 HydrophobicContact CG1-CB 4.23Å; I9-F75 HydrophobicContact CG1-CD2 4.03Å; I9-F75 HydrophobicContact CG1-CG 4.19Å; I9-L94 HydrophobicContact CD1-CD2 3.73Å; I9-L94 HydrophobicContact CG1-CD2 3.53Å; I9-P98 WeakPolarHBondContact O-CA 3.27Å; I9-P98 WeakPolarHBondContact O-CB 3.39Å; I9-Q99 PolarHBondContact O-N 2.96Å
10	T	86.5	Confident	78.4	Confident	46 Å²	46	78.4 Å²	78.4	28%	0.282	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-74	154.8	173.9	65	0	0	0	0	111.1	D12 D13 R14	T10-D12 PolarHBondContact O-N 3.15Å; T10-D13 PolarHBondContact O-N 2.84Å; T10-D13 VanDerWaalsContact OG1-CB 3.32Å; T10-D13 WeakPolarHBondContact OG1-CB 3.34Å; T10-D13 VanDerWaalsContact OG1-CG 3.23Å; T10-D13 PolarHBondContact OG1-N 3.28Å; T10-D13 PolarHBondContact OG1-OD2 3.21Å; T10-R14 PolarHBondContact O-N 3.31Å
11	T	83.2	Confident	79.1	Confident	56 Å²	56	74.6 Å²	74.6	34%	0.344	38%	0.377	S	S	.	.	H	α-helix	trans	-55.5	-39.8	172.8	-43.4	0	0	0	0	112	R14 V15 Q99	T11-R14 PolarHBondContact O-N 3.42Å; T11-V15 WeakPolarHBondContact O-CG2 3.45Å; T11-V15 PolarHBondContact O-N 3.39Å; T11-Q99 PolarHBondContact N-O 2.95Å; T11-Q99 PolarHBondContact OG1-O 3.48Å
12	D	83	Confident	81.8	Confident	93 Å²	93	68.7 Å²	68.7	50%	0.497	35%	0.346	S	S	.	.	H	α-helix	trans	-69.6	-36.9	179.1	-63.8	-75	0	0	0	114	T10 K16	T10-D12 PolarHBondContact O-N 3.15Å; D12-K16 VanDerWaalsContact O-CD 3.29Å; D12-K16 WeakPolarHBondContact O-CD 3.39Å; D12-K16 VanDerWaalsContact O-CE 3.24Å; D12-K16 WeakPolarHBondContact O-CE 3.48Å; D12-K16 VanDerWaalsContact O-CG 3.3Å; D12-K16 WeakPolarHBondContact O-CG 3.37Å; D12-K16 PolarHBondContact O-N 3.44Å
13	D	88.4	Confident	83.7	Confident	22 Å²	22	73.8 Å²	73.8	12%	0.118	36%	0.361	C	S	.	.	H	α-helix	trans	-66.5	-42.9	170.6	-74.2	-45.3	0	0	0	110.1	I9 T10 V15 K16 H17 K78	I9-D13 HydrophobicContact CG2-CB 4.09Å; T10-D13 PolarHBondContact O-N 2.84Å; T10-D13 VanDerWaalsContact OG1-CB 3.32Å; T10-D13 WeakPolarHBondContact OG1-CB 3.34Å; T10-D13 VanDerWaalsContact OG1-CG 3.23Å; T10-D13 PolarHBondContact OG1-N 3.28Å; T10-D13 PolarHBondContact OG1-OD2 3.21Å; D13-V15 PolarHBondContact O-N 3.49Å; D13-K16 WeakPolarHBondContact O-CB 3.41Å; D13-K16 PolarHBondContact O-N 3.28Å; D13-K16 VanDerWaalsContact O-N 3.15Å; D13-H17 PolarHBondContact O-CD2 3.08Å; D13-H17 PolarHBondContact O-N 2.92Å; D13-H17 PolarHBondContact O-ND1 3.16Å; D13-K78 IonicContact OD1-NZ 2.89Å; D13-K78 PolarHBondContact OD1-NZ 3.35Å; D13-K78 IonicContact OD2-NZ 3.9Å; D13-K78 PolarHBondContact OD2-NZ 3.3Å
14	R	89.7	Confident	85.1	Confident	36 Å²	36	68 Å²	68	14%	0.136	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-45	179.8	-177.9	60.3	-177.2	-99.7	0.3	112.6	I9 T10 T11 K16 H17 D18 K67 S71 P98	I9-R14 HydrophobicContact CG2-CB 4.17Å; T10-R14 PolarHBondContact O-N 3.31Å; T11-R14 PolarHBondContact O-N 3.42Å; R14-K16 VanDerWaalsContact C-N 3.26Å; R14-K16 PolarHBondContact O-N 2.88Å; R14-H17 PolarHBondContact O-N 2.91Å; R14-H17 VanDerWaalsContact O-N 3.17Å; R14-D18 IonicContact CZ-OD1 3.18Å; R14-D18 IonicContact NE-OD1 2.68Å; R14-D18 PolarHBondContact NE-OD1 3.18Å; R14-D18 IonicContact NE-OD2 3.92Å; R14-D18 PolarHBondContact NE-OD2 2.86Å; R14-D18 IonicContact NH2-OD1 2.65Å; R14-D18 PolarHBondContact NH2-OD1 3.44Å; R14-D18 WeakPolarHBondContact O-CB 3.44Å; R14-D18 PolarHBondContact O-N 3.43Å; R14-K67 PolarHBondContact NH2-O 2.9Å; R14-S71 VanDerWaalsContact CD-CB 3.42Å; R14-S71 WeakPolarHBondContact CD-OG 3.29Å; R14-P98 HydrophobicContact CB-CB 4.16Å; R14-P98 HydrophobicContact CB-CG 4.22Å; R14-P98 HydrophobicContact CG-CG 4.14Å
15	V	88.5	Confident	86.1	Confident	94 Å²	94	71.8 Å²	71.8	57%	0.57	35%	0.354	S	S	*	.	H	α-helix	trans	-59.7	-36.7	177.4	169.8	0	0	0	0	111.6	T11 D13 A19	T11-V15 WeakPolarHBondContact O-CG2 3.45Å; T11-V15 PolarHBondContact O-N 3.39Å; D13-V15 PolarHBondContact O-N 3.49Å; V15-A19 WeakPolarHBondContact O-CB 3.45Å; V15-A19 PolarHBondContact O-N 3.33Å; V15-A19 VanDerWaalsContact O-N 3.12Å
16	K	91.6	Very high	87.6	Confident	116 Å²	116	68.3 Å²	68.3	50%	0.504	34%	0.336	S	S	.	.	H	α-helix	trans	-69.3	-42.7	175.5	-63.6	161	-163.1	159.7	0	111.6	D12 D13 R14 A19 Q20	D12-K16 VanDerWaalsContact O-CD 3.29Å; D12-K16 WeakPolarHBondContact O-CD 3.39Å; D12-K16 VanDerWaalsContact O-CE 3.24Å; D12-K16 WeakPolarHBondContact O-CE 3.48Å; D12-K16 VanDerWaalsContact O-CG 3.3Å; D12-K16 WeakPolarHBondContact O-CG 3.37Å; D12-K16 PolarHBondContact O-N 3.44Å; D13-K16 WeakPolarHBondContact O-CB 3.41Å; D13-K16 PolarHBondContact O-N 3.28Å; D13-K16 VanDerWaalsContact O-N 3.15Å; R14-K16 VanDerWaalsContact C-N 3.26Å; R14-K16 PolarHBondContact O-N 2.88Å; K16-A19 PolarHBondContact O-N 2.82Å; K16-Q20 WeakPolarHBondContact O-CG 3.31Å; K16-Q20 PolarHBondContact O-N 3.31Å
17	H	93.9	Very high	88.6	Confident	10 Å²	10	63.7 Å²	63.7	5%	0.046	33%	0.331	C	S	.	.	H	α-helix	trans	-65.7	-43.7	177.4	-57.1	163.1	0	0	0	111.7	D13 R14 A19 Q20 F21 F70 S71 M74	D13-H17 PolarHBondContact O-CD2 3.08Å; D13-H17 PolarHBondContact O-N 2.92Å; D13-H17 PolarHBondContact O-ND1 3.16Å; R14-H17 PolarHBondContact O-N 2.91Å; R14-H17 VanDerWaalsContact O-N 3.17Å; H17-A19 VanDerWaalsContact C-N 3.29Å; H17-A19 PolarHBondContact O-N 3.38Å; H17-Q20 PolarHBondContact O-N 3.36Å; H17-F21 WeakPolarHBondContact O-CB 3.31Å; H17-F21 PolarHBondContact O-N 3.39Å; H17-F70 WeakPolarHBondContact O-CE1 3.31Å; H17-S71 PolarHBondContact ND1-O 2.91Å; H17-S71 PolarHBondContact ND1-OG 3.33Å; H17-M74 HydrophobicContact CB-CB 4.49Å
18	D	91.5	Very high	88.9	Confident	45 Å²	45	66.5 Å²	66.5	24%	0.241	37%	0.366	C	S	.	.	H	α-helix	trans	-63.2	-34.7	177	-74.2	-19.8	0	0	0	111.7	R14 Q22	R14-D18 IonicContact CZ-OD1 3.18Å; R14-D18 IonicContact NE-OD1 2.68Å; R14-D18 PolarHBondContact NE-OD1 3.18Å; R14-D18 IonicContact NE-OD2 3.92Å; R14-D18 PolarHBondContact NE-OD2 2.86Å; R14-D18 IonicContact NH2-OD1 2.65Å; R14-D18 PolarHBondContact NH2-OD1 3.44Å; R14-D18 WeakPolarHBondContact O-CB 3.44Å; R14-D18 PolarHBondContact O-N 3.43Å; D18-Q22 WeakPolarHBondContact O-CB 3.29Å; D18-Q22 PolarHBondContact O-N 3.33Å
19	A	91.6	Very high	89.3	Confident	61 Å²	61	66.2 Å²	66.2	50%	0.504	37%	0.372	S	S	.	.	H	α-helix	trans	-68.6	-41.9	173.4	0	0	0	0	0	112.5	V15 K16 H17 Q22 F23	V15-A19 WeakPolarHBondContact O-CB 3.45Å; V15-A19 PolarHBondContact O-N 3.33Å; V15-A19 VanDerWaalsContact O-N 3.12Å; K16-A19 PolarHBondContact O-N 2.82Å; H17-A19 VanDerWaalsContact C-N 3.29Å; H17-A19 PolarHBondContact O-N 3.38Å; A19-Q22 PolarHBondContact O-N 3.04Å; A19-F23 PolarHBondContact O-N 3.28Å
20	Q	92.8	Very high	89.6	Confident	71 Å²	71	70 Å²	70	33%	0.332	39%	0.387	S	S	.	.	H	α-helix	trans	-64.5	-41.2	173.9	-74.3	175.2	-15.8	0	0	111.9	K16 H17 Q22 F23 L24 F39 F70	K16-Q20 WeakPolarHBondContact O-CG 3.31Å; K16-Q20 PolarHBondContact O-N 3.31Å; H17-Q20 PolarHBondContact O-N 3.36Å; Q20-Q22 VanDerWaalsContact C-N 3.34Å; Q20-Q22 PolarHBondContact O-N 3.37Å; Q20-F23 WeakPolarHBondContact O-CB 3.37Å; Q20-F23 PolarHBondContact O-N 3.15Å; Q20-L24 PolarHBondContact O-N 3.43Å; Q20-F39 HydrophobicContact CB-CZ 4.14Å; Q20-F39 HydrophobicContact CG-CZ 4.19Å; Q20-F70 HydrophobicContact CB-CE1 3.93Å; Q20-F70 HydrophobicContact CB-CZ 4.26Å
21	F	94.2	Very high	89.9	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-58	-46.7	172.9	-174.6	-90.8	0	0	0	111.3	H17 F23 L24 P26 G29 I31 M65 D66 K67 F70	H17-F21 WeakPolarHBondContact O-CB 3.31Å; H17-F21 PolarHBondContact O-N 3.39Å; F21-F23 VanDerWaalsContact C-N 3.29Å; F21-F23 PolarHBondContact O-N 3.38Å; F21-L24 PolarHBondContact O-N 3.18Å; F21-L24 VanDerWaalsContact O-N 3.15Å; F21-P26 HydrophobicContact CD1-CB 4.12Å; F21-P26 HydrophobicContact CD1-CG 3.85Å; F21-P26 HydrophobicContact CE1-CB 3.43Å; F21-P26 VanDerWaalsContact CE1-CB 3.43Å; F21-P26 HydrophobicContact CE1-CG 3.55Å; F21-P26 HydrophobicContact CZ-CB 3.84Å; F21-P26 HydrophobicContact CZ-CG 4.43Å; F21-P26 WeakPolarHBondContact O-CD 3.15Å; F21-G29 VanDerWaalsContact CZ-O 3.29Å; F21-G29 WeakPolarHBondContact CZ-O 3.34Å; F21-I31 HydrophobicContact CD2-CD1 4.3Å; F21-I31 HydrophobicContact CD2-CG1 4.48Å; F21-I31 HydrophobicContact CD2-CG2 4.19Å; F21-I31 HydrophobicContact CE2-CB 4.43Å; F21-I31 HydrophobicContact CE2-CD1 4.29Å; F21-I31 HydrophobicContact CE2-CG1 4Å; F21-I31 HydrophobicContact CE2-CG2 3.88Å; F21-I31 HydrophobicContact CZ-CG2 4.18Å; F21-M65 WeakPolarHBondContact CE2-O 3.32Å; F21-D66 VanDerWaalsContact CE2-C 3.48Å; F21-D66 WeakPolarHBondContact CE2-O 3.49Å; F21-K67 HydrophobicContact CD1-CD 4.18Å; F21-K67 HydrophobicContact CD1-CG 3.52Å; F21-K67 HydrophobicContact CE1-CD 4.26Å; F21-K67 HydrophobicContact CE1-CG 3.42Å; F21-K67 VanDerWaalsContact CE1-CG 3.42Å; F21-K67 HydrophobicContact CE2-CG 4.45Å; F21-K67 HydrophobicContact CG-CG 4.07Å; F21-K67 HydrophobicContact CZ-CG 3.91Å; F21-F70 HydrophobicContact CB-CD1 3.72Å; F21-F70 HydrophobicContact CB-CE1 3.98Å; F21-F70 HydrophobicContact CB-CG 4.32Å; F21-F70 HydrophobicContact CD2-CB 3.52Å; F21-F70 AromaticContact CD2-CD1 3.91Å; F21-F70 HydrophobicContact CD2-CD1 3.91Å; F21-F70 HydrophobicContact CD2-CD2 4.18Å; F21-F70 AromaticContact CD2-CG 3.62Å; F21-F70 HydrophobicContact CD2-CG 3.62Å; F21-F70 HydrophobicContact CE2-CB 4Å; F21-F70 HydrophobicContact CE2-CG 4.47Å; F21-F70 HydrophobicContact CG-CD1 4.33Å; F21-F70 HydrophobicContact CG-CG 4.47Å
22	Q	92.3	Very high	90.3	Very high	108 Å²	108	68.1 Å²	68.1	51%	0.505	38%	0.375	S	S	.	.	H	α-helix	trans	-65.2	-32.5	179.7	-159.4	64.5	56.2	0	0	112.4	D18 A19 Q20 L24 K25	D18-Q22 WeakPolarHBondContact O-CB 3.29Å; D18-Q22 PolarHBondContact O-N 3.33Å; A19-Q22 PolarHBondContact O-N 3.04Å; Q20-Q22 VanDerWaalsContact C-N 3.34Å; Q20-Q22 PolarHBondContact O-N 3.37Å; Q22-L24 VanDerWaalsContact C-N 3.31Å; Q22-L24 PolarHBondContact O-N 2.94Å; Q22-K25 PolarHBondContact O-N 3.36Å
23	F	91.4	Very high	90.6	Very high	167 Å²	167	65 Å²	65	73%	0.732	37%	0.366	S	S	*	.	H	α-helix	trans	-65.5	-29.9	174.2	-177.2	-94.6	0	0	0	113.1	A19 Q20 F21 K25	A19-F23 PolarHBondContact O-N 3.28Å; Q20-F23 WeakPolarHBondContact O-CB 3.37Å; Q20-F23 PolarHBondContact O-N 3.15Å; F21-F23 VanDerWaalsContact C-N 3.29Å; F21-F23 PolarHBondContact O-N 3.38Å; F23-K25 PolarHBondContact O-N 3.2Å
24	L	90.2	Very high	90.7	Very high	30 Å²	30	69.7 Å²	69.7	16%	0.157	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	0.6	177.1	-67.1	175.9	0	0	0	114.6	Q20 F21 Q22 I31 Q35 F39 F70	Q20-L24 PolarHBondContact O-N 3.43Å; F21-L24 PolarHBondContact O-N 3.18Å; F21-L24 VanDerWaalsContact O-N 3.15Å; Q22-L24 VanDerWaalsContact C-N 3.31Å; Q22-L24 PolarHBondContact O-N 2.94Å; L24-I31 HydrophobicContact CB-CG2 4.04Å; L24-I31 HydrophobicContact CD1-CD1 3.86Å; L24-Q35 PolarHBondContact O-NE2 3.43Å; L24-F39 HydrophobicContact CD1-CB 3.96Å; L24-F39 HydrophobicContact CD1-CD1 4.13Å; L24-F39 HydrophobicContact CD1-CD2 4.37Å; L24-F39 HydrophobicContact CD1-CG 3.9Å; L24-F39 HydrophobicContact CD2-CB 3.89Å; L24-F39 HydrophobicContact CD2-CD2 3.75Å; L24-F39 HydrophobicContact CD2-CG 3.95Å; L24-F39 HydrophobicContact CG-CD2 4.4Å; L24-F39 HydrophobicContact CG-CG 4.41Å; L24-F70 HydrophobicContact CD1-CE2 3.72Å; L24-F70 HydrophobicContact CD1-CZ 3.88Å
25	K	88.1	Confident	90.7	Very high	171 Å²	171	70.4 Å²	70.4	74%	0.743	40%	0.395	S	S	*	.			trans	55.1	67.5	-179.4	-59.9	-179.7	-179.3	178.6	0	112	Q22 F23 V27 Q35	Q22-K25 PolarHBondContact O-N 3.36Å; F23-K25 PolarHBondContact O-N 3.2Å; K25-V27 PolarHBondContact O-N 2.92Å; K25-Q35 PolarHBondContact O-NE2 3.38Å; K25-Q35 VanDerWaalsContact O-NE2 3.14Å
26	P	90.5	Very high	90.9	Very high	26 Å²	26	65.9 Å²	65.9	17%	0.169	37%	0.368	C	S	.	.			trans	-64.8	133.4	-178.3	27.7	-35.5	0	0	0	111.6	F21 Y30 I31	F21-P26 HydrophobicContact CD1-CB 4.12Å; F21-P26 HydrophobicContact CD1-CG 3.85Å; F21-P26 HydrophobicContact CE1-CB 3.43Å; F21-P26 VanDerWaalsContact CE1-CB 3.43Å; F21-P26 HydrophobicContact CE1-CG 3.55Å; F21-P26 HydrophobicContact CZ-CB 3.84Å; F21-P26 HydrophobicContact CZ-CG 4.43Å; F21-P26 WeakPolarHBondContact O-CD 3.15Å; P26-Y30 CarbonylContact C-O 3.39Å; P26-Y30 WeakPolarHBondContact CA-O 3.45Å; P26-Y30 VanDerWaalsContact CB-O 3.24Å; P26-Y30 WeakPolarHBondContact CB-O 3.29Å; P26-I31 HydrophobicContact CB-CG2 3.89Å
27	V	86.3	Confident	90.8	Very high	110 Å²	110	66.1 Å²	66.1	67%	0.667	37%	0.366	S	S	*	.	B	Isolated β-bridge	trans	-93.4	122.9	179.3	-177.2	0	0	0	0	108.9	K25 G29 Y30	K25-V27 PolarHBondContact O-N 2.92Å; V27-G29 PolarHBondContact O-N 2.83Å; V27-G29 VanDerWaalsContact O-N 3.11Å; V27-Y30 PolarHBondContact N-O 3.36Å; V27-Y30 PolarHBondContact O-N 2.93Å; V27-Y30 VanDerWaalsContact O-N 3.17Å
28	G	85.8	Confident	90.6	Very high	79 Å²	79	70.4 Å²	70.4	81%	0.814	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	13.8	-178.3	0	0	0	0	0	115.1
29	G	90.1	Very high	90.7	Very high	40 Å²	40	70.2 Å²	70.2	41%	0.412	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.5	-1	-176.7	0	0	0	0	0	115.3	F21 V27	F21-G29 VanDerWaalsContact CZ-O 3.29Å; F21-G29 WeakPolarHBondContact CZ-O 3.34Å; V27-G29 PolarHBondContact O-N 2.83Å; V27-G29 VanDerWaalsContact O-N 3.11Å
30	Y	92.1	Very high	90.8	Very high	88 Å²	88	67.7 Å²	67.7	35%	0.345	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-121.7	158.9	179.9	-57.2	-92.3	0	0	0	111.4	P26 V27 K64 M65 D66	P26-Y30 CarbonylContact C-O 3.39Å; P26-Y30 WeakPolarHBondContact CA-O 3.45Å; P26-Y30 VanDerWaalsContact CB-O 3.24Å; P26-Y30 WeakPolarHBondContact CB-O 3.29Å; V27-Y30 PolarHBondContact N-O 3.36Å; V27-Y30 PolarHBondContact O-N 2.93Å; V27-Y30 VanDerWaalsContact O-N 3.17Å; Y30-K64 HydrophobicContact CD1-CD 3.99Å; Y30-K64 HydrophobicContact CD1-CG 4.17Å; Y30-K64 HydrophobicContact CD2-CD 4.07Å; Y30-K64 HydrophobicContact CG-CD 3.66Å; Y30-K64 HydrophobicContact CG-CG 4.25Å; Y30-M65 CarbonylContact C-O 3.48Å; Y30-M65 VanDerWaalsContact CA-O 3.31Å; Y30-M65 WeakPolarHBondContact CA-O 3.48Å; Y30-D66 HydrophobicContact CD1-CB 3.89Å; Y30-D66 HydrophobicContact CE1-CB 3.84Å
31	I	93.1	Very high	90.8	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	145.2	162.6	63.8	177.8	0	0	0	110.3	F21 L24 P26 Q35 A36 K64 M65 F70	F21-I31 HydrophobicContact CD2-CD1 4.3Å; F21-I31 HydrophobicContact CD2-CG1 4.48Å; F21-I31 HydrophobicContact CD2-CG2 4.19Å; F21-I31 HydrophobicContact CE2-CB 4.43Å; F21-I31 HydrophobicContact CE2-CD1 4.29Å; F21-I31 HydrophobicContact CE2-CG1 4Å; F21-I31 HydrophobicContact CE2-CG2 3.88Å; F21-I31 HydrophobicContact CZ-CG2 4.18Å; L24-I31 HydrophobicContact CB-CG2 4.04Å; L24-I31 HydrophobicContact CD1-CD1 3.86Å; P26-I31 HydrophobicContact CB-CG2 3.89Å; I31-Q35 HydrophobicContact CB-CB 4.14Å; I31-A36 HydrophobicContact CD1-CB 3.71Å; I31-A36 HydrophobicContact CG1-CB 4.28Å; I31-K64 CarbonylContact O-C 3.45Å; I31-K64 WeakPolarHBondContact O-CA 3.49Å; I31-K64 VanDerWaalsContact O-CB 3.26Å; I31-K64 WeakPolarHBondContact O-CB 3.47Å; I31-M65 HydrophobicContact CG1-CB 3.95Å; I31-M65 PolarHBondContact N-O 2.94Å; I31-M65 PolarHBondContact O-N 3.35Å; I31-F70 HydrophobicContact CD1-CD2 3.47Å; I31-F70 VanDerWaalsContact CD1-CD2 3.47Å; I31-F70 HydrophobicContact CD1-CE2 3.75Å; I31-F70 HydrophobicContact CD1-CG 4.39Å
32	T	91.4	Very high	90.7	Very high	63 Å²	63	76.5 Å²	76.5	39%	0.387	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	161.6	174.6	67.3	0	0	0	0	111.8	D34 Q35 A36	T32-D34 PolarHBondContact O-N 3.4Å; T32-Q35 PolarHBondContact O-N 3.26Å; T32-Q35 VanDerWaalsContact O-N 3.16Å; T32-Q35 PolarHBondContact OG1-N 2.87Å; T32-A36 PolarHBondContact O-N 2.9Å
33	G	89.4	Confident	90.6	Very high	28 Å²	28	72.8 Å²	72.8	29%	0.289	39%	0.393	S	S	.	.	H	α-helix	trans	-49.7	-40.7	171.8	0	0	0	0	0	113.3	A36 R37	G33-A36 PolarHBondContact O-N 2.97Å; G33-R37 WeakPolarHBondContact O-CB 3.37Å; G33-R37 PolarHBondContact O-N 3.24Å
34	D	89.1	Confident	90.6	Very high	120 Å²	120	68.1 Å²	68.1	64%	0.642	39%	0.392	S	S	*	.	H	α-helix	trans	-68.1	-44.3	177.6	-64.9	-55.8	0	0	0	113.5	T32 A36 R37 V38	T32-D34 PolarHBondContact O-N 3.4Å; D34-A36 VanDerWaalsContact C-N 3.28Å; D34-A36 PolarHBondContact O-N 3.03Å; D34-R37 PolarHBondContact O-N 3.24Å; D34-V38 WeakPolarHBondContact O-CG2 3.31Å; D34-V38 PolarHBondContact O-N 3.46Å
35	Q	90.3	Very high	90.6	Very high	50 Å²	50	68.1 Å²	68.1	23%	0.234	39%	0.392	C	S	.	.	H	α-helix	trans	-58.3	-43.8	175.8	-72.8	178.4	-65.6	0	0	110.9	L24 K25 I31 T32 F39	L24-Q35 PolarHBondContact O-NE2 3.43Å; K25-Q35 PolarHBondContact O-NE2 3.38Å; K25-Q35 VanDerWaalsContact O-NE2 3.14Å; I31-Q35 HydrophobicContact CB-CB 4.14Å; T32-Q35 PolarHBondContact O-N 3.26Å; T32-Q35 VanDerWaalsContact O-N 3.16Å; T32-Q35 PolarHBondContact OG1-N 2.87Å; Q35-F39 PolarHBondContact O-N 3.46Å
36	A	92.5	Very high	90.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-70.5	-42.3	177.8	0	0	0	0	0	112.6	I31 T32 G33 D34 V38 F39 F40 W54	I31-A36 HydrophobicContact CD1-CB 3.71Å; I31-A36 HydrophobicContact CG1-CB 4.28Å; T32-A36 PolarHBondContact O-N 2.9Å; G33-A36 PolarHBondContact O-N 2.97Å; D34-A36 VanDerWaalsContact C-N 3.28Å; D34-A36 PolarHBondContact O-N 3.03Å; A36-V38 PolarHBondContact O-N 3.47Å; A36-F39 CarbonylContact O-C 3.56Å; A36-F39 WeakPolarHBondContact O-CA 3.48Å; A36-F39 WeakPolarHBondContact O-CB 3.5Å; A36-F39 PolarHBondContact O-N 3.35Å; A36-F40 HydrophobicContact CB-CD2 4.22Å; A36-F40 HydrophobicContact CB-CE2 3.93Å; A36-F40 HydrophobicContact CB-CZ 4.36Å; A36-F40 WeakPolarHBondContact O-CB 3.28Å; A36-F40 WeakPolarHBondContact O-CG 3.49Å; A36-F40 PolarHBondContact O-N 2.9Å; A36-W54 HydrophobicContact CB-CE3 4.24Å; A36-W54 HydrophobicContact CB-CH2 4.27Å; A36-W54 HydrophobicContact CB-CZ3 3.42Å; A36-W54 VanDerWaalsContact CB-CZ3 3.42Å
37	R	90.4	Very high	90.7	Very high	121 Å²	121	65.7 Å²	65.7	46%	0.457	39%	0.394	S	S	.	.	H	α-helix	trans	-57.4	-47.2	178.8	-172.9	-173.5	-142.5	-77.8	7.5	111.6	G33 D34 F39 F40 M41	G33-R37 WeakPolarHBondContact O-CB 3.37Å; G33-R37 PolarHBondContact O-N 3.24Å; D34-R37 PolarHBondContact O-N 3.24Å; R37-F39 PolarHBondContact O-N 3.02Å; R37-F40 PolarHBondContact O-N 3.33Å; R37-M41 HydrophobicContact CG-SD 4.05Å; R37-M41 PolarHBondContact NH1-SD 3.43Å; R37-M41 WeakPolarHBondContact O-CB 3.26Å; R37-M41 VanDerWaalsContact O-CG 3.27Å; R37-M41 WeakPolarHBondContact O-CG 3.42Å; R37-M41 PolarHBondContact O-N 3.49Å
38	V	89.2	Confident	91	Very high	100 Å²	100	68.3 Å²	68.3	61%	0.606	40%	0.401	S	S	*	.	H	α-helix	trans	-64.9	-25.9	177.3	173.7	0	0	0	0	112.2	D34 A36 K42	D34-V38 WeakPolarHBondContact O-CG2 3.31Å; D34-V38 PolarHBondContact O-N 3.46Å; A36-V38 PolarHBondContact O-N 3.47Å; V38-K42 WeakPolarHBondContact O-CE 3.44Å
39	F	93.3	Very high	91.2	Very high	40 Å²	40	66.5 Å²	66.5	18%	0.175	37%	0.373	C	S	.	.	H	α-helix	trans	-81.8	-53.1	173.1	-169.9	-108.8	0	0	0	112.3	Q20 L24 Q35 A36 R37 M41 K42 F70 M74	Q20-F39 HydrophobicContact CB-CZ 4.14Å; Q20-F39 HydrophobicContact CG-CZ 4.19Å; L24-F39 HydrophobicContact CD1-CB 3.96Å; L24-F39 HydrophobicContact CD1-CD1 4.13Å; L24-F39 HydrophobicContact CD1-CD2 4.37Å; L24-F39 HydrophobicContact CD1-CG 3.9Å; L24-F39 HydrophobicContact CD2-CB 3.89Å; L24-F39 HydrophobicContact CD2-CD2 3.75Å; L24-F39 HydrophobicContact CD2-CG 3.95Å; L24-F39 HydrophobicContact CG-CD2 4.4Å; L24-F39 HydrophobicContact CG-CG 4.41Å; Q35-F39 PolarHBondContact O-N 3.46Å; A36-F39 CarbonylContact O-C 3.56Å; A36-F39 WeakPolarHBondContact O-CA 3.48Å; A36-F39 WeakPolarHBondContact O-CB 3.5Å; A36-F39 PolarHBondContact O-N 3.35Å; R37-F39 PolarHBondContact O-N 3.02Å; F39-M41 VanDerWaalsContact C-N 3.34Å; F39-M41 PolarHBondContact O-N 3.45Å; F39-K42 VanDerWaalsContact O-CB 3.26Å; F39-K42 WeakPolarHBondContact O-CB 3.3Å; F39-K42 WeakPolarHBondContact O-CG 3.26Å; F39-K42 PolarHBondContact O-N 3.03Å; F39-K42 VanDerWaalsContact O-N 3.08Å; F39-F70 HydrophobicContact CD1-CE2 4.02Å; F39-F70 AromaticContact CD1-CZ 3.81Å; F39-F70 HydrophobicContact CD1-CZ 3.81Å; F39-F70 HydrophobicContact CE1-CE2 4.33Å; F39-F70 AromaticContact CE1-CZ 3.67Å; F39-F70 HydrophobicContact CE1-CZ 3.67Å; F39-M74 HydrophobicContact CD1-SD 4.35Å; F39-M74 HydrophobicContact CE1-CE 4.4Å; F39-M74 HydrophobicContact CE1-SD 3.77Å
40	F	94.3	Very high	91.4	Very high	8 Å²	8	65.3 Å²	65.3	4%	0.035	36%	0.358	C	S	.	.	H	α-helix	trans	-65.5	-31.2	-175.9	-64.5	-22.4	0	0	0	113.3	A36 R37 K42 S43 L50 W54 M65 F70 A73 M74 I77	A36-F40 HydrophobicContact CB-CD2 4.22Å; A36-F40 HydrophobicContact CB-CE2 3.93Å; A36-F40 HydrophobicContact CB-CZ 4.36Å; A36-F40 WeakPolarHBondContact O-CB 3.28Å; A36-F40 WeakPolarHBondContact O-CG 3.49Å; A36-F40 PolarHBondContact O-N 2.9Å; R37-F40 PolarHBondContact O-N 3.33Å; F40-K42 PolarHBondContact O-N 2.95Å; F40-K42 VanDerWaalsContact O-N 3.13Å; F40-S43 VanDerWaalsContact O-CB 3.26Å; F40-S43 WeakPolarHBondContact O-CB 3.48Å; F40-S43 PolarHBondContact O-N 2.93Å; F40-S43 PolarHBondContact O-OG 2.9Å; F40-L50 HydrophobicContact CB-CD1 4.05Å; F40-L50 HydrophobicContact CB-CD2 3.97Å; F40-W54 HydrophobicContact CE2-CE3 4.24Å; F40-W54 HydrophobicContact CE2-CZ3 4.49Å; F40-M65 HydrophobicContact CE2-SD 4.31Å; F40-M65 HydrophobicContact CZ-SD 4.1Å; F40-F70 AromaticContact CE1-CD2 3.91Å; F40-F70 HydrophobicContact CE1-CD2 3.91Å; F40-F70 AromaticContact CE1-CE2 3.48Å; F40-F70 HydrophobicContact CE1-CE2 3.48Å; F40-F70 VanDerWaalsContact CE1-CE2 3.48Å; F40-F70 HydrophobicContact CE1-CZ 4.28Å; F40-F70 AromaticContact CZ-CD2 3.77Å; F40-F70 HydrophobicContact CZ-CD2 3.77Å; F40-F70 AromaticContact CZ-CE2 3.82Å; F40-F70 HydrophobicContact CZ-CE2 3.82Å; F40-A73 HydrophobicContact CE1-CB 4.34Å; F40-A73 HydrophobicContact CE2-CB 4.02Å; F40-A73 HydrophobicContact CZ-CB 3.55Å; F40-M74 HydrophobicContact CD1-SD 4.19Å; F40-M74 HydrophobicContact CE1-CG 4.46Å; F40-M74 HydrophobicContact CE1-SD 3.8Å; F40-I77 HydrophobicContact CB-CD1 4.08Å; F40-I77 HydrophobicContact CD1-CD1 3.36Å; F40-I77 HydrophobicContact CD2-CD1 4.3Å; F40-I77 HydrophobicContact CE1-CD1 3.77Å; F40-I77 HydrophobicContact CG-CD1 3.67Å; F40-I77 HydrophobicContact CZ-CD1 4.41Å
41	M	92.7	Very high	91.4	Very high	92 Å²	92	63 Å²	63	45%	0.453	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-59.1	-23.1	173.2	-78	177.9	65.2	0	0	113.1	R37 F39 S43 G44 L50	R37-M41 HydrophobicContact CG-SD 4.05Å; R37-M41 PolarHBondContact NH1-SD 3.43Å; R37-M41 WeakPolarHBondContact O-CB 3.26Å; R37-M41 VanDerWaalsContact O-CG 3.27Å; R37-M41 WeakPolarHBondContact O-CG 3.42Å; R37-M41 PolarHBondContact O-N 3.49Å; F39-M41 VanDerWaalsContact C-N 3.34Å; F39-M41 PolarHBondContact O-N 3.45Å; M41-S43 PolarHBondContact O-N 3.38Å; M41-G44 PolarHBondContact O-N 3.1Å; M41-L50 HydrophobicContact CG-CD1 4.09Å
42	K	91.1	Very high	91.3	Very high	165 Å²	165	67.2 Å²	67.2	72%	0.717	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-69.5	-8.8	174.9	-55.6	-179.5	-178.5	-176.7	0	113.7	V38 F39 F40 G44	V38-K42 WeakPolarHBondContact O-CE 3.44Å; F39-K42 VanDerWaalsContact O-CB 3.26Å; F39-K42 WeakPolarHBondContact O-CB 3.3Å; F39-K42 WeakPolarHBondContact O-CG 3.26Å; F39-K42 PolarHBondContact O-N 3.03Å; F39-K42 VanDerWaalsContact O-N 3.08Å; F40-K42 PolarHBondContact O-N 2.95Å; F40-K42 VanDerWaalsContact O-N 3.13Å; K42-G44 VanDerWaalsContact C-N 3.31Å
43	S	90.8	Very high	91.4	Very high	29 Å²	29	64.2 Å²	64.2	20%	0.203	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-75.2	-16.7	171.8	67.4	0	0	0	0	113.8	F40 M41 L45	F40-S43 VanDerWaalsContact O-CB 3.26Å; F40-S43 WeakPolarHBondContact O-CB 3.48Å; F40-S43 PolarHBondContact O-N 2.93Å; F40-S43 PolarHBondContact O-OG 2.9Å; M41-S43 PolarHBondContact O-N 3.38Å; S43-L45 PolarHBondContact O-N 2.9Å; S43-L45 PolarHBondContact OG-N 2.93Å
44	G	91	Very high	91.5	Very high	70 Å²	70	65.1 Å²	65.1	72%	0.722	36%	0.357	S	S	*	.			trans	75.2	-1.1	-172.6	0	0	0	0	0	114.9	M41 K42	M41-G44 PolarHBondContact O-N 3.1Å; K42-G44 VanDerWaalsContact C-N 3.31Å
45	L	90.5	Very high	91.6	Very high	30 Å²	30	63 Å²	63	16%	0.157	36%	0.356	C	S	.	.			trans	-67.8	146.3	171.9	-63.7	177.3	0	0	0	110.8	S43 V49 L50 I53 I77 T80 L81	S43-L45 PolarHBondContact O-N 2.9Å; S43-L45 PolarHBondContact OG-N 2.93Å; L45-V49 HydrophobicContact CB-CG1 4.28Å; L45-V49 HydrophobicContact CD1-CG1 4.26Å; L45-V49 HydrophobicContact CD2-CG1 4.47Å; L45-L50 HydrophobicContact CB-CD2 3.8Å; L45-L50 HydrophobicContact CB-CG 3.98Å; L45-L50 HydrophobicContact CD1-CD2 4.04Å; L45-I53 HydrophobicContact CD1-CD1 3.97Å; L45-I77 HydrophobicContact CD1-CB 4.35Å; L45-I77 HydrophobicContact CD1-CG1 4.24Å; L45-I77 HydrophobicContact CD1-CG2 4.02Å; L45-T80 HydrophobicContact CD1-CG2 4.23Å; L45-T80 HydrophobicContact CD2-CG2 3.9Å; L45-L81 HydrophobicContact CD1-CG 4.47Å; L45-L81 HydrophobicContact CD2-CD2 3.77Å; L45-L81 HydrophobicContact CD2-CG 4.3Å; L45-L81 HydrophobicContact CG-CD2 4.05Å; L45-L81 HydrophobicContact CG-CG 4.38Å
46	S	91.6	Very high	91.7	Very high	68 Å²	68	61.6 Å²	61.6	48%	0.476	35%	0.35	S	S	.	.			trans	-66.2	151.7	-178.7	79.9	0	0	0	0	111.9	M48 V49 L50	S46-M48 PolarHBondContact O-N 3.43Å; S46-M48 VanDerWaalsContact O-N 3.13Å; S46-V49 PolarHBondContact O-N 2.97Å; S46-V49 WeakPolarHBondContact OG-CG2 3.36Å; S46-V49 PolarHBondContact OG-N 2.97Å; S46-L50 PolarHBondContact O-N 3.17Å
47	V	90	Very high	91.7	Very high	78 Å²	78	61.6 Å²	61.6	47%	0.473	35%	0.35	S	S	.	.	H	α-helix	trans	-56.5	-32.7	-178.9	179.2	0	0	0	0	112.2	G51	V47-G51 PolarHBondContact O-N 3.27Å
48	M	91.2	Very high	91.7	Very high	165 Å²	165	56.7 Å²	56.7	81%	0.813	33%	0.332	S	S	*	.	H	α-helix	trans	-68	-44.4	175.1	-65.1	-178.8	71.1	0	0	112.4	S46 G51 Q52	S46-M48 PolarHBondContact O-N 3.43Å; S46-M48 VanDerWaalsContact O-N 3.13Å; M48-G51 PolarHBondContact O-N 2.97Å; M48-Q52 PolarHBondContact O-N 2.98Å
49	V	92	Very high	91.6	Very high	40 Å²	40	56.4 Å²	56.4	24%	0.242	33%	0.326	C	S	.	.	H	α-helix	trans	-65.2	-41.2	177.1	171.3	0	0	0	0	110.6	L45 S46 G51 Q52 I53 T80 L86	L45-V49 HydrophobicContact CB-CG1 4.28Å; L45-V49 HydrophobicContact CD1-CG1 4.26Å; L45-V49 HydrophobicContact CD2-CG1 4.47Å; S46-V49 PolarHBondContact O-N 2.97Å; S46-V49 WeakPolarHBondContact OG-CG2 3.36Å; S46-V49 PolarHBondContact OG-N 2.97Å; V49-G51 PolarHBondContact O-N 3.42Å; V49-Q52 PolarHBondContact O-N 2.95Å; V49-I53 HydrophobicContact CG1-CD1 4.18Å; V49-I53 WeakPolarHBondContact O-CG1 3.48Å; V49-I53 PolarHBondContact O-N 2.97Å; V49-T80 HydrophobicContact CG1-CG2 3.98Å; V49-L86 HydrophobicContact CG1-CD1 4Å
50	L	93.2	Very high	91.3	Very high	15 Å²	15	59.1 Å²	59.1	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-65.1	-36.5	174.8	-66.9	-179	0	0	0	112.6	F40 M41 L45 S46 I53 W54 I77	F40-L50 HydrophobicContact CB-CD1 4.05Å; F40-L50 HydrophobicContact CB-CD2 3.97Å; M41-L50 HydrophobicContact CG-CD1 4.09Å; L45-L50 HydrophobicContact CB-CD2 3.8Å; L45-L50 HydrophobicContact CB-CG 3.98Å; L45-L50 HydrophobicContact CD1-CD2 4.04Å; S46-L50 PolarHBondContact O-N 3.17Å; L50-I53 HydrophobicContact CD2-CD1 4.43Å; L50-I53 PolarHBondContact O-N 3.31Å; L50-W54 PolarHBondContact O-N 2.78Å; L50-I77 HydrophobicContact CD2-CD1 4.32Å; L50-I77 HydrophobicContact CD2-CG1 4.29Å
51	G	91.7	Very high	90.9	Very high	40 Å²	40	66.5 Å²	66.5	41%	0.412	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-38.8	172	0	0	0	0	0	113.1	V47 M48 V49 W54 A55	V47-G51 PolarHBondContact O-N 3.27Å; M48-G51 PolarHBondContact O-N 2.97Å; V49-G51 PolarHBondContact O-N 3.42Å; G51-W54 PolarHBondContact O-N 2.93Å; G51-A55 PolarHBondContact O-N 3.29Å
52	Q	91.7	Very high	90.7	Very high	90 Å²	90	65.8 Å²	65.8	42%	0.421	38%	0.377	S	S	.	.	H	α-helix	trans	-67.1	-38.8	173.1	-173.2	179.4	-6.3	0	0	111.9	M48 V49 A55 L56 L86	M48-Q52 PolarHBondContact O-N 2.98Å; V49-Q52 PolarHBondContact O-N 2.95Å; Q52-A55 PolarHBondContact O-N 3.33Å; Q52-L56 HydrophobicContact CG-CD1 4.14Å; Q52-L56 WeakPolarHBondContact O-CD1 3.37Å; Q52-L56 VanDerWaalsContact O-CG 3.29Å; Q52-L56 WeakPolarHBondContact O-CG 3.36Å; Q52-L56 PolarHBondContact O-N 3Å; Q52-L56 VanDerWaalsContact O-N 3.15Å; Q52-L86 HydrophobicContact CB-CD1 4.2Å; Q52-L86 HydrophobicContact CG-CD1 4.07Å
53	I	93.1	Very high	90.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-63.7	-42.5	174.1	-71.2	171.4	0	0	0	111	L45 V49 L50 L56 A57 A73 L76 I77 L86	L45-I53 HydrophobicContact CD1-CD1 3.97Å; V49-I53 HydrophobicContact CG1-CD1 4.18Å; V49-I53 WeakPolarHBondContact O-CG1 3.48Å; V49-I53 PolarHBondContact O-N 2.97Å; L50-I53 HydrophobicContact CD2-CD1 4.43Å; L50-I53 PolarHBondContact O-N 3.31Å; I53-L56 PolarHBondContact O-N 3.09Å; I53-A57 VanDerWaalsContact O-CB 3.31Å; I53-A57 WeakPolarHBondContact O-CB 3.37Å; I53-A57 PolarHBondContact O-N 3.47Å; I53-A57 VanDerWaalsContact O-N 3.1Å; I53-A73 HydrophobicContact CG2-CB 4.06Å; I53-L76 HydrophobicContact CD1-CB 4.48Å; I53-L76 HydrophobicContact CG1-CB 4.21Å; I53-L76 HydrophobicContact CG2-CB 3.97Å; I53-L76 HydrophobicContact CG2-CD1 4.2Å; I53-I77 HydrophobicContact CD1-CG1 3.74Å; I53-I77 HydrophobicContact CG2-CG1 4.2Å; I53-L86 HydrophobicContact CD1-CD1 4.3Å; I53-L86 HydrophobicContact CD1-CD2 4.16Å; I53-L86 HydrophobicContact CG1-CD1 3.72Å; I53-L86 HydrophobicContact CG1-CD2 3.68Å; I53-L86 HydrophobicContact CG1-CG 4.35Å
54	W	92.7	Very high	90.7	Very high	47 Å²	47	61.4 Å²	61.4	18%	0.178	37%	0.367	C	S	.	.	H	α-helix	trans	-56.1	-54.9	174.1	-175.6	-79.6	0	0	0	110.8	A36 F40 L50 G51 L56 A57 D58 M65	A36-W54 HydrophobicContact CB-CE3 4.24Å; A36-W54 HydrophobicContact CB-CH2 4.27Å; A36-W54 HydrophobicContact CB-CZ3 3.42Å; A36-W54 VanDerWaalsContact CB-CZ3 3.42Å; F40-W54 HydrophobicContact CE2-CE3 4.24Å; F40-W54 HydrophobicContact CE2-CZ3 4.49Å; L50-W54 PolarHBondContact O-N 2.78Å; G51-W54 PolarHBondContact O-N 2.93Å; W54-L56 PolarHBondContact O-N 2.97Å; W54-A57 PolarHBondContact O-N 3.33Å; W54-D58 PolarHBondContact NE1-OD2 3.4Å; W54-D58 VanDerWaalsContact O-CB 3.28Å; W54-D58 WeakPolarHBondContact O-CB 3.36Å; W54-D58 PolarHBondContact O-N 2.88Å; W54-M65 HydrophobicContact CD2-CE 3.84Å; W54-M65 HydrophobicContact CE3-CE 3.47Å; W54-M65 VanDerWaalsContact CE3-CE 3.47Å; W54-M65 HydrophobicContact CE3-SD 4.32Å; W54-M65 HydrophobicContact CH2-CB 3.64Å; W54-M65 HydrophobicContact CH2-CE 3.99Å; W54-M65 HydrophobicContact CH2-SD 4.46Å; W54-M65 HydrophobicContact CZ2-CB 4.36Å; W54-M65 HydrophobicContact CZ2-CE 4.3Å; W54-M65 HydrophobicContact CZ3-CB 4.02Å; W54-M65 HydrophobicContact CZ3-CE 3.52Å; W54-M65 HydrophobicContact CZ3-SD 3.91Å
55	A	91.1	Very high	90.7	Very high	75 Å²	75	58 Å²	58	62%	0.62	33%	0.333	S	S	*	.	H	α-helix	trans	-66.5	-7.6	-179.2	0	0	0	0	0	115.2	G51 Q52	G51-A55 PolarHBondContact O-N 3.29Å; Q52-A55 PolarHBondContact O-N 3.33Å
56	L	91.7	Very high	90.9	Very high	21 Å²	21	59.3 Å²	59.3	11%	0.11	34%	0.34	C	S	.	.	H	α-helix	trans	-99.6	-16.9	171.2	-73.8	167.7	0	0	0	113.2	Q52 I53 W54 L76 L86 P87 L90	Q52-L56 HydrophobicContact CG-CD1 4.14Å; Q52-L56 WeakPolarHBondContact O-CD1 3.37Å; Q52-L56 VanDerWaalsContact O-CG 3.29Å; Q52-L56 WeakPolarHBondContact O-CG 3.36Å; Q52-L56 PolarHBondContact O-N 3Å; Q52-L56 VanDerWaalsContact O-N 3.15Å; I53-L56 PolarHBondContact O-N 3.09Å; W54-L56 PolarHBondContact O-N 2.97Å; L56-L76 HydrophobicContact CB-CD1 3.79Å; L56-L76 HydrophobicContact CD1-CD1 4.45Å; L56-L86 HydrophobicContact CD1-CB 4.46Å; L56-L86 HydrophobicContact CD1-CD2 4.49Å; L56-P87 HydrophobicContact CD1-CG 4.48Å; L56-P87 VanDerWaalsContact CD1-O 3.28Å; L56-P87 WeakPolarHBondContact CD1-O 3.42Å; L56-L90 WeakPolarHBondContact O-CD2 3.26Å
57	A	92.3	Very high	90.9	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-109.2	-37.2	-173.5	0	0	0	0	0	113.1	I53 W54 M59 M65 E69 I72 A73	I53-A57 VanDerWaalsContact O-CB 3.31Å; I53-A57 WeakPolarHBondContact O-CB 3.37Å; I53-A57 PolarHBondContact O-N 3.47Å; I53-A57 VanDerWaalsContact O-N 3.1Å; W54-A57 PolarHBondContact O-N 3.33Å; A57-M59 PolarHBondContact O-N 3.01Å; A57-M59 VanDerWaalsContact O-N 3.13Å; A57-M65 HydrophobicContact CB-CE 3.89Å; A57-E69 VanDerWaalsContact O-CB 3.26Å; A57-E69 WeakPolarHBondContact O-CB 3.33Å; A57-E69 VanDerWaalsContact O-CG 3.25Å; A57-E69 WeakPolarHBondContact O-CG 3.29Å; A57-I72 HydrophobicContact CB-CB 4.35Å; A57-I72 HydrophobicContact CB-CG2 3.93Å; A57-A73 HydrophobicContact CB-CB 3.74Å
58	D	90.9	Very high	90.9	Very high	17 Å²	17	58.2 Å²	58.2	9%	0.091	32%	0.32	C	S	.	.			trans	-64.8	98.9	166.1	-178.2	-11.2	0	0	0	107.8	W54 M61 D62 G63 M65	W54-D58 PolarHBondContact NE1-OD2 3.4Å; W54-D58 VanDerWaalsContact O-CB 3.28Å; W54-D58 WeakPolarHBondContact O-CB 3.36Å; W54-D58 PolarHBondContact O-N 2.88Å; D58-M61 WeakPolarHBondContact OD1-CA 3.45Å; D58-M61 PolarHBondContact OD1-N 3.4Å; D58-D62 PolarHBondContact OD1-N 2.91Å; D58-G63 PolarHBondContact OD2-N 3.5Å; D58-M65 HydrophobicContact CB-CE 4.48Å
59	M	86.3	Confident	91	Very high	94 Å²	94	50.9 Å²	50.9	46%	0.463	28%	0.284	S	S	.	.	S	Bend	trans	-93.8	-23.9	-165.5	-89.9	-175.8	41.1	0	0	113.3	A57 E69 I72 L90 K95	A57-M59 PolarHBondContact O-N 3.01Å; A57-M59 VanDerWaalsContact O-N 3.13Å; M59-E69 HydrophobicContact CB-CG 4.43Å; M59-E69 PolarHBondContact N-OE1 3.45Å; M59-I72 HydrophobicContact SD-CD1 3.85Å; M59-L90 HydrophobicContact CG-CD2 4.05Å; M59-L90 HydrophobicContact SD-CD2 3.75Å; M59-K95 HydrophobicContact SD-CG 4.34Å
60	D	86.9	Confident	91.1	Very high	98 Å²	98	49 Å²	49	52%	0.524	27%	0.272	S	S	.	.	S	Bend	trans	-103.5	-2.5	172.9	70.2	16.7	0	0	0	114	D62	D60-D62 VanDerWaalsContact C-N 3.32Å; D60-D62 VanDerWaalsContact OD1-CB 3.28Å; D60-D62 WeakPolarHBondContact OD1-CB 3.38Å; D60-D62 VanDerWaalsContact OD1-CG 3.26Å; D60-D62 PolarHBondContact OD1-N 3.49Å
61	M	86.7	Confident	91.1	Very high	163 Å²	163	48.3 Å²	48.3	80%	0.803	27%	0.269	S	S	*	.			trans	64.6	29.2	176.7	-54.8	-171.1	72.1	0	0	113.7	D58	D58-M61 WeakPolarHBondContact OD1-CA 3.45Å; D58-M61 PolarHBondContact OD1-N 3.4Å
62	D	89.3	Confident	91.2	Very high	77 Å²	77	46.4 Å²	46.4	41%	0.412	25%	0.249	S	C	.	.			trans	-90.6	1.9	-175.5	96.2	-4.4	0	0	0	115.7	D58 D60 K64	D58-D62 PolarHBondContact OD1-N 2.91Å; D60-D62 VanDerWaalsContact C-N 3.32Å; D60-D62 VanDerWaalsContact OD1-CB 3.28Å; D60-D62 WeakPolarHBondContact OD1-CB 3.38Å; D60-D62 VanDerWaalsContact OD1-CG 3.26Å; D60-D62 PolarHBondContact OD1-N 3.49Å; D62-K64 VanDerWaalsContact C-N 3.31Å; D62-K64 PolarHBondContact O-N 2.94Å; D62-K64 WeakPolarHBondContact OD1-CE 3.27Å; D62-K64 WeakPolarHBondContact OD1-CG 3.43Å; D62-K64 IonicContact OD1-NZ 3.43Å; D62-K64 PolarHBondContact OD1-NZ 3.13Å; D62-K64 WeakPolarHBondContact OD2-CE 3.46Å; D62-K64 IonicContact OD2-NZ 3.43Å; D62-K64 PolarHBondContact OD2-NZ 2.85Å
63	G	89.1	Confident	91.3	Very high	47 Å²	47	42.1 Å²	42.1	49%	0.485	23%	0.229	S	C	.	.	S	Bend	trans	80.3	7.7	167.5	0	0	0	0	0	115.2	D58	D58-G63 PolarHBondContact OD2-N 3.5Å
64	K	91.5	Very high	91.4	Very high	54 Å²	54	43.4 Å²	43.4	24%	0.235	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	-175.5	165	52.6	176.6	-179.3	50	0	107.3	Y30 I31 D62	Y30-K64 HydrophobicContact CD1-CD 3.99Å; Y30-K64 HydrophobicContact CD1-CG 4.17Å; Y30-K64 HydrophobicContact CD2-CD 4.07Å; Y30-K64 HydrophobicContact CG-CD 3.66Å; Y30-K64 HydrophobicContact CG-CG 4.25Å; I31-K64 CarbonylContact O-C 3.45Å; I31-K64 WeakPolarHBondContact O-CA 3.49Å; I31-K64 VanDerWaalsContact O-CB 3.26Å; I31-K64 WeakPolarHBondContact O-CB 3.47Å; D62-K64 VanDerWaalsContact C-N 3.31Å; D62-K64 PolarHBondContact O-N 2.94Å; D62-K64 WeakPolarHBondContact OD1-CE 3.27Å; D62-K64 WeakPolarHBondContact OD1-CG 3.43Å; D62-K64 IonicContact OD1-NZ 3.43Å; D62-K64 PolarHBondContact OD1-NZ 3.13Å; D62-K64 WeakPolarHBondContact OD2-CE 3.46Å; D62-K64 IonicContact OD2-NZ 3.43Å; D62-K64 PolarHBondContact OD2-NZ 2.85Å
65	M	91.9	Very high	91.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	131	-172.1	-170.8	168	-81	0	0	111.6	F21 Y30 I31 F40 W54 A57 D58 E69 F70 A73	F21-M65 WeakPolarHBondContact CE2-O 3.32Å; Y30-M65 CarbonylContact C-O 3.48Å; Y30-M65 VanDerWaalsContact CA-O 3.31Å; Y30-M65 WeakPolarHBondContact CA-O 3.48Å; I31-M65 HydrophobicContact CG1-CB 3.95Å; I31-M65 PolarHBondContact N-O 2.94Å; I31-M65 PolarHBondContact O-N 3.35Å; F40-M65 HydrophobicContact CE2-SD 4.31Å; F40-M65 HydrophobicContact CZ-SD 4.1Å; W54-M65 HydrophobicContact CD2-CE 3.84Å; W54-M65 HydrophobicContact CE3-CE 3.47Å; W54-M65 VanDerWaalsContact CE3-CE 3.47Å; W54-M65 HydrophobicContact CE3-SD 4.32Å; W54-M65 HydrophobicContact CH2-CB 3.64Å; W54-M65 HydrophobicContact CH2-CE 3.99Å; W54-M65 HydrophobicContact CH2-SD 4.46Å; W54-M65 HydrophobicContact CZ2-CB 4.36Å; W54-M65 HydrophobicContact CZ2-CE 4.3Å; W54-M65 HydrophobicContact CZ3-CB 4.02Å; W54-M65 HydrophobicContact CZ3-CE 3.52Å; W54-M65 HydrophobicContact CZ3-SD 3.91Å; A57-M65 HydrophobicContact CB-CE 3.89Å; D58-M65 HydrophobicContact CB-CE 4.48Å; M65-E69 HydrophobicContact CG-CB 3.55Å; M65-F70 HydrophobicContact CG-CB 4.09Å; M65-F70 HydrophobicContact SD-CB 4.12Å; M65-F70 HydrophobicContact SD-CD2 4.29Å; M65-A73 HydrophobicContact CE-CB 4.28Å; M65-A73 HydrophobicContact SD-CB 3.98Å
66	D	93.2	Very high	91.4	Very high	56 Å²	56	38 Å²	38	30%	0.299	20%	0.199	S	C	.	.			trans	-87.2	-179.4	177.7	115.1	-46.1	0	0	0	112.5	F21 Y30 K68 E69 F70	F21-D66 VanDerWaalsContact CE2-C 3.48Å; F21-D66 WeakPolarHBondContact CE2-O 3.49Å; Y30-D66 HydrophobicContact CD1-CB 3.89Å; Y30-D66 HydrophobicContact CE1-CB 3.84Å; D66-K68 VanDerWaalsContact OD1-CA 3.31Å; D66-K68 WeakPolarHBondContact OD1-CA 3.28Å; D66-K68 VanDerWaalsContact OD1-CB 3.29Å; D66-K68 WeakPolarHBondContact OD1-CB 3.43Å; D66-K68 PolarHBondContact OD1-N 2.95Å; D66-E69 PolarHBondContact N-OE2 3.48Å; D66-E69 WeakPolarHBondContact OD1-CG 3.24Å; D66-E69 PolarHBondContact OD1-N 3.43Å; D66-F70 WeakPolarHBondContact O-CB 3.3Å; D66-F70 PolarHBondContact O-N 3.2Å
67	K	92.3	Very high	91.5	Very high	72 Å²	72	37.3 Å²	37.3	31%	0.313	20%	0.196	S	C	.	.	H	α-helix	trans	-64.5	-36.4	179.6	-69.6	-168.2	174.6	-158.1	0	114	R14 F21 S71	R14-K67 PolarHBondContact NH2-O 2.9Å; F21-K67 HydrophobicContact CD1-CD 4.18Å; F21-K67 HydrophobicContact CD1-CG 3.52Å; F21-K67 HydrophobicContact CE1-CD 4.26Å; F21-K67 HydrophobicContact CE1-CG 3.42Å; F21-K67 VanDerWaalsContact CE1-CG 3.42Å; F21-K67 HydrophobicContact CE2-CG 4.45Å; F21-K67 HydrophobicContact CG-CG 4.07Å; F21-K67 HydrophobicContact CZ-CG 3.91Å; K67-S71 WeakPolarHBondContact O-CB 3.49Å; K67-S71 PolarHBondContact O-N 2.98Å
68	K	90.7	Very high	91.4	Very high	51 Å²	51	40.7 Å²	40.7	22%	0.222	21%	0.21	C	C	.	.	H	α-helix	trans	-74.1	-46.2	179.5	-177	166.2	179.7	160.9	0	110.5	D66 S71 I72 K95 D97	D66-K68 VanDerWaalsContact OD1-CA 3.31Å; D66-K68 WeakPolarHBondContact OD1-CA 3.28Å; D66-K68 VanDerWaalsContact OD1-CB 3.29Å; D66-K68 WeakPolarHBondContact OD1-CB 3.43Å; D66-K68 PolarHBondContact OD1-N 2.95Å; K68-S71 WeakPolarHBondContact O-CB 3.44Å; K68-S71 PolarHBondContact O-N 2.86Å; K68-I72 HydrophobicContact CG-CD1 4.23Å; K68-I72 WeakPolarHBondContact O-CG1 3.35Å; K68-I72 PolarHBondContact O-N 3.01Å; K68-K95 WeakPolarHBondContact CE-O 3.38Å; K68-K95 PolarHBondContact NZ-O 3.37Å; K68-D97 IonicContact NZ-OD1 2.7Å; K68-D97 PolarHBondContact NZ-OD1 3.35Å
69	E	93.4	Very high	91.3	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-44.2	177	-61.9	176.5	133.5	0	0	111.6	A57 M59 M65 D66 S71 I72 A73	A57-E69 VanDerWaalsContact O-CB 3.26Å; A57-E69 WeakPolarHBondContact O-CB 3.33Å; A57-E69 VanDerWaalsContact O-CG 3.25Å; A57-E69 WeakPolarHBondContact O-CG 3.29Å; M59-E69 HydrophobicContact CB-CG 4.43Å; M59-E69 PolarHBondContact N-OE1 3.45Å; M65-E69 HydrophobicContact CG-CB 3.55Å; D66-E69 PolarHBondContact N-OE2 3.48Å; D66-E69 WeakPolarHBondContact OD1-CG 3.24Å; D66-E69 PolarHBondContact OD1-N 3.43Å; E69-S71 VanDerWaalsContact C-N 3.31Å; E69-S71 PolarHBondContact O-N 3.25Å; E69-I72 CarbonylContact O-C 3.55Å; E69-I72 WeakPolarHBondContact O-CA 3.29Å; E69-I72 WeakPolarHBondContact O-CB 3.48Å; E69-I72 PolarHBondContact O-N 3.42Å; E69-A73 PolarHBondContact O-N 3.26Å
70	F	94.3	Very high	91.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-38.9	173.8	-177.1	-99	0	0	0	112.4	H17 Q20 F21 L24 I31 F39 F40 M65 D66 I72 A73 M74	H17-F70 WeakPolarHBondContact O-CE1 3.31Å; Q20-F70 HydrophobicContact CB-CE1 3.93Å; Q20-F70 HydrophobicContact CB-CZ 4.26Å; F21-F70 HydrophobicContact CB-CD1 3.72Å; F21-F70 HydrophobicContact CB-CE1 3.98Å; F21-F70 HydrophobicContact CB-CG 4.32Å; F21-F70 HydrophobicContact CD2-CB 3.52Å; F21-F70 AromaticContact CD2-CD1 3.91Å; F21-F70 HydrophobicContact CD2-CD1 3.91Å; F21-F70 HydrophobicContact CD2-CD2 4.18Å; F21-F70 AromaticContact CD2-CG 3.62Å; F21-F70 HydrophobicContact CD2-CG 3.62Å; F21-F70 HydrophobicContact CE2-CB 4Å; F21-F70 HydrophobicContact CE2-CG 4.47Å; F21-F70 HydrophobicContact CG-CD1 4.33Å; F21-F70 HydrophobicContact CG-CG 4.47Å; L24-F70 HydrophobicContact CD1-CE2 3.72Å; L24-F70 HydrophobicContact CD1-CZ 3.88Å; I31-F70 HydrophobicContact CD1-CD2 3.47Å; I31-F70 VanDerWaalsContact CD1-CD2 3.47Å; I31-F70 HydrophobicContact CD1-CE2 3.75Å; I31-F70 HydrophobicContact CD1-CG 4.39Å; F39-F70 HydrophobicContact CD1-CE2 4.02Å; F39-F70 AromaticContact CD1-CZ 3.81Å; F39-F70 HydrophobicContact CD1-CZ 3.81Å; F39-F70 HydrophobicContact CE1-CE2 4.33Å; F39-F70 AromaticContact CE1-CZ 3.67Å; F39-F70 HydrophobicContact CE1-CZ 3.67Å; F40-F70 AromaticContact CE1-CD2 3.91Å; F40-F70 HydrophobicContact CE1-CD2 3.91Å; F40-F70 AromaticContact CE1-CE2 3.48Å; F40-F70 HydrophobicContact CE1-CE2 3.48Å; F40-F70 VanDerWaalsContact CE1-CE2 3.48Å; F40-F70 HydrophobicContact CE1-CZ 4.28Å; F40-F70 AromaticContact CZ-CD2 3.77Å; F40-F70 HydrophobicContact CZ-CD2 3.77Å; F40-F70 AromaticContact CZ-CE2 3.82Å; F40-F70 HydrophobicContact CZ-CE2 3.82Å; M65-F70 HydrophobicContact CG-CB 4.09Å; M65-F70 HydrophobicContact SD-CB 4.12Å; M65-F70 HydrophobicContact SD-CD2 4.29Å; D66-F70 WeakPolarHBondContact O-CB 3.3Å; D66-F70 PolarHBondContact O-N 3.2Å; F70-I72 VanDerWaalsContact C-N 3.3Å; F70-I72 PolarHBondContact O-N 2.91Å; F70-A73 PolarHBondContact O-N 3.04Å; F70-M74 HydrophobicContact CD1-CG 4.02Å; F70-M74 HydrophobicContact CE1-CG 3.66Å; F70-M74 HydrophobicContact CE1-SD 4.46Å; F70-M74 HydrophobicContact CE2-CG 4.41Å; F70-M74 HydrophobicContact CZ-CG 3.89Å; F70-M74 HydrophobicContact CZ-SD 4.14Å; F70-M74 WeakPolarHBondContact O-CB 3.32Å; F70-M74 WeakPolarHBondContact O-CG 3.44Å; F70-M74 PolarHBondContact O-N 2.83Å
71	S	93.4	Very high	91.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-32.9	173.6	-179.7	0	0	0	0	112.6	I9 R14 H17 K67 K68 E69 F75	I9-S71 WeakPolarHBondContact CD1-O 3.43Å; I9-S71 WeakPolarHBondContact CD1-OG 3.4Å; R14-S71 VanDerWaalsContact CD-CB 3.42Å; R14-S71 WeakPolarHBondContact CD-OG 3.29Å; H17-S71 PolarHBondContact ND1-O 2.91Å; H17-S71 PolarHBondContact ND1-OG 3.33Å; K67-S71 WeakPolarHBondContact O-CB 3.49Å; K67-S71 PolarHBondContact O-N 2.98Å; K68-S71 WeakPolarHBondContact O-CB 3.44Å; K68-S71 PolarHBondContact O-N 2.86Å; E69-S71 VanDerWaalsContact C-N 3.31Å; E69-S71 PolarHBondContact O-N 3.25Å; S71-F75 WeakPolarHBondContact O-CB 3.4Å; S71-F75 PolarHBondContact O-N 2.95Å; S71-F75 VanDerWaalsContact O-N 3.1Å
72	I	92.4	Very high	91.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.6	-49.9	172.4	-70.5	159.1	0	0	0	109.7	I9 A57 M59 K68 E69 F70 M74 F75 L76 L90 L94	I9-I72 HydrophobicContact CD1-CG1 4.1Å; A57-I72 HydrophobicContact CB-CB 4.35Å; A57-I72 HydrophobicContact CB-CG2 3.93Å; M59-I72 HydrophobicContact SD-CD1 3.85Å; K68-I72 HydrophobicContact CG-CD1 4.23Å; K68-I72 WeakPolarHBondContact O-CG1 3.35Å; K68-I72 PolarHBondContact O-N 3.01Å; E69-I72 CarbonylContact O-C 3.55Å; E69-I72 WeakPolarHBondContact O-CA 3.29Å; E69-I72 WeakPolarHBondContact O-CB 3.48Å; E69-I72 PolarHBondContact O-N 3.42Å; F70-I72 VanDerWaalsContact C-N 3.3Å; F70-I72 PolarHBondContact O-N 2.91Å; I72-M74 VanDerWaalsContact C-N 3.34Å; I72-M74 PolarHBondContact O-N 3.41Å; I72-F75 PolarHBondContact O-N 2.84Å; I72-F75 VanDerWaalsContact O-N 3.12Å; I72-L76 HydrophobicContact CG2-CD1 4.1Å; I72-L76 HydrophobicContact CG2-CG 4.37Å; I72-L76 WeakPolarHBondContact O-CG 3.19Å; I72-L76 PolarHBondContact O-N 3.16Å; I72-L90 HydrophobicContact CD1-CD2 4.16Å; I72-L90 HydrophobicContact CG2-CD1 3.53Å; I72-L90 HydrophobicContact CG2-CD2 4.16Å; I72-L94 HydrophobicContact CG1-CD2 4.25Å; I72-L94 HydrophobicContact CG2-CD2 4.44Å
73	A	94.4	Very high	91.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.4	-45.4	177.1	0	0	0	0	0	112	F40 I53 A57 M65 E69 F70 F75 L76 I77	F40-A73 HydrophobicContact CE1-CB 4.34Å; F40-A73 HydrophobicContact CE2-CB 4.02Å; F40-A73 HydrophobicContact CZ-CB 3.55Å; I53-A73 HydrophobicContact CG2-CB 4.06Å; A57-A73 HydrophobicContact CB-CB 3.74Å; M65-A73 HydrophobicContact CE-CB 4.28Å; M65-A73 HydrophobicContact SD-CB 3.98Å; E69-A73 PolarHBondContact O-N 3.26Å; F70-A73 PolarHBondContact O-N 3.04Å; A73-F75 PolarHBondContact O-N 3.28Å; A73-L76 PolarHBondContact O-N 2.87Å; A73-I77 VanDerWaalsContact O-CG1 3.3Å; A73-I77 WeakPolarHBondContact O-CG1 3.3Å; A73-I77 PolarHBondContact O-N 2.94Å
74	M	94.2	Very high	91.2	Very high	28 Å²	28	36.5 Å²	36.5	14%	0.138	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-37.6	176.3	-74.2	-55.1	-53.6	0	0	113.1	H17 F39 F40 F70 I72 I77 K78	H17-M74 HydrophobicContact CB-CB 4.49Å; F39-M74 HydrophobicContact CD1-SD 4.35Å; F39-M74 HydrophobicContact CE1-CE 4.4Å; F39-M74 HydrophobicContact CE1-SD 3.77Å; F40-M74 HydrophobicContact CD1-SD 4.19Å; F40-M74 HydrophobicContact CE1-CG 4.46Å; F40-M74 HydrophobicContact CE1-SD 3.8Å; F70-M74 HydrophobicContact CD1-CG 4.02Å; F70-M74 HydrophobicContact CE1-CG 3.66Å; F70-M74 HydrophobicContact CE1-SD 4.46Å; F70-M74 HydrophobicContact CE2-CG 4.41Å; F70-M74 HydrophobicContact CZ-CG 3.89Å; F70-M74 HydrophobicContact CZ-SD 4.14Å; F70-M74 WeakPolarHBondContact O-CB 3.32Å; F70-M74 WeakPolarHBondContact O-CG 3.44Å; F70-M74 PolarHBondContact O-N 2.83Å; I72-M74 VanDerWaalsContact C-N 3.34Å; I72-M74 PolarHBondContact O-N 3.41Å; M74-I77 HydrophobicContact SD-CD1 4.24Å; M74-K78 VanDerWaalsContact O-CB 3.3Å; M74-K78 WeakPolarHBondContact O-CB 3.5Å; M74-K78 PolarHBondContact O-N 2.88Å
75	F	92.3	Very high	90.8	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.035	21%	0.211	C	C	.	.	H	α-helix	trans	-67.1	-40.2	173.3	-173	-84.2	0	0	0	112	W7 V8 I9 S71 I72 A73 K78 K79 L94	W7-F75 HydrophobicContact CB-CE1 4.1Å; W7-F75 HydrophobicContact CD2-CE1 4.22Å; W7-F75 HydrophobicContact CE3-CD1 4.39Å; W7-F75 AromaticContact CE3-CE1 3.9Å; W7-F75 HydrophobicContact CE3-CE1 3.9Å; W7-F75 HydrophobicContact CG-CE1 4.35Å; V8-F75 VanDerWaalsContact O-CE2 3.23Å; V8-F75 WeakPolarHBondContact O-CE2 3.5Å; I9-F75 HydrophobicContact CB-CD2 4.49Å; I9-F75 HydrophobicContact CD1-CB 4.27Å; I9-F75 HydrophobicContact CG1-CB 4.23Å; I9-F75 HydrophobicContact CG1-CD2 4.03Å; I9-F75 HydrophobicContact CG1-CG 4.19Å; S71-F75 WeakPolarHBondContact O-CB 3.4Å; S71-F75 PolarHBondContact O-N 2.95Å; S71-F75 VanDerWaalsContact O-N 3.1Å; I72-F75 PolarHBondContact O-N 2.84Å; I72-F75 VanDerWaalsContact O-N 3.12Å; A73-F75 PolarHBondContact O-N 3.28Å; F75-K78 PolarHBondContact O-N 2.98Å; F75-K79 HydrophobicContact CD1-CG 3.94Å; F75-K79 HydrophobicContact CE1-CD 4.28Å; F75-K79 HydrophobicContact CE1-CG 3.62Å; F75-K79 HydrophobicContact CZ-CD 4.41Å; F75-K79 HydrophobicContact CZ-CG 4.17Å; F75-K79 WeakPolarHBondContact O-CG 3.42Å; F75-K79 PolarHBondContact O-N 2.67Å; F75-L94 HydrophobicContact CB-CD2 4.09Å; F75-L94 HydrophobicContact CD1-CD1 4.04Å; F75-L94 HydrophobicContact CD1-CD2 3.63Å; F75-L94 HydrophobicContact CD1-CG 4.26Å; F75-L94 HydrophobicContact CE1-CD1 4.23Å; F75-L94 HydrophobicContact CE1-CD2 4.2Å; F75-L94 HydrophobicContact CE1-CG 4.44Å; F75-L94 HydrophobicContact CG-CD2 3.91Å
76	L	92.1	Very high	90.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-49.2	174.9	-68	177.6	0	0	0	111	W7 I53 L56 I72 A73 K78 K79 T80 L86 P87 L94	W7-L76 HydrophobicContact CE3-CD2 4.27Å; W7-L76 HydrophobicContact CZ3-CD2 3.86Å; I53-L76 HydrophobicContact CD1-CB 4.48Å; I53-L76 HydrophobicContact CG1-CB 4.21Å; I53-L76 HydrophobicContact CG2-CB 3.97Å; I53-L76 HydrophobicContact CG2-CD1 4.2Å; L56-L76 HydrophobicContact CB-CD1 3.79Å; L56-L76 HydrophobicContact CD1-CD1 4.45Å; I72-L76 HydrophobicContact CG2-CD1 4.1Å; I72-L76 HydrophobicContact CG2-CG 4.37Å; I72-L76 WeakPolarHBondContact O-CG 3.19Å; I72-L76 PolarHBondContact O-N 3.16Å; A73-L76 PolarHBondContact O-N 2.87Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.17Å; L76-K79 PolarHBondContact O-N 3.37Å; L76-K79 VanDerWaalsContact O-N 3.09Å; L76-T80 PolarHBondContact O-N 2.86Å; L76-T80 PolarHBondContact O-OG1 3.3Å; L76-L86 HydrophobicContact CB-CD2 4.26Å; L76-L86 HydrophobicContact CD2-CD2 4.4Å; L76-P87 HydrophobicContact CD2-CG 4.16Å; L76-L94 HydrophobicContact CD2-CD1 4.14Å
77	I	93.5	Very high	89.8	Confident	7 Å²	7	37.3 Å²	37.3	4%	0.036	20%	0.204	C	C	.	.	H	α-helix	trans	-54.2	-48.1	175.1	-69.9	166.9	0	0	0	110.8	F40 L45 L50 I53 A73 M74 K79 T80 L81	F40-I77 HydrophobicContact CB-CD1 4.08Å; F40-I77 HydrophobicContact CD1-CD1 3.36Å; F40-I77 HydrophobicContact CD2-CD1 4.3Å; F40-I77 HydrophobicContact CE1-CD1 3.77Å; F40-I77 HydrophobicContact CG-CD1 3.67Å; F40-I77 HydrophobicContact CZ-CD1 4.41Å; L45-I77 HydrophobicContact CD1-CB 4.35Å; L45-I77 HydrophobicContact CD1-CG1 4.24Å; L45-I77 HydrophobicContact CD1-CG2 4.02Å; L50-I77 HydrophobicContact CD2-CD1 4.32Å; L50-I77 HydrophobicContact CD2-CG1 4.29Å; I53-I77 HydrophobicContact CD1-CG1 3.74Å; I53-I77 HydrophobicContact CG2-CG1 4.2Å; A73-I77 VanDerWaalsContact O-CG1 3.3Å; A73-I77 WeakPolarHBondContact O-CG1 3.3Å; A73-I77 PolarHBondContact O-N 2.94Å; M74-I77 HydrophobicContact SD-CD1 4.24Å; I77-K79 PolarHBondContact O-N 2.89Å; I77-T80 PolarHBondContact O-N 2.92Å; I77-L81 HydrophobicContact CG2-CD1 3.91Å; I77-L81 HydrophobicContact CG2-CG 4.47Å; I77-L81 WeakPolarHBondContact O-CB 3.44Å; I77-L81 WeakPolarHBondContact O-CG 3.44Å; I77-L81 PolarHBondContact O-N 3.39Å
78	K	91.6	Very high	89	Confident	71 Å²	71	39.1 Å²	39.1	31%	0.309	23%	0.226	S	C	.	.	H	α-helix	trans	-55.7	-47.5	176.2	-178.7	-178.7	178	-175	0	111.3	D13 M74 F75 L76 L81 E82	D13-K78 IonicContact OD1-NZ 2.89Å; D13-K78 PolarHBondContact OD1-NZ 3.35Å; D13-K78 IonicContact OD2-NZ 3.9Å; D13-K78 PolarHBondContact OD2-NZ 3.3Å; M74-K78 VanDerWaalsContact O-CB 3.3Å; M74-K78 WeakPolarHBondContact O-CB 3.5Å; M74-K78 PolarHBondContact O-N 2.88Å; F75-K78 PolarHBondContact O-N 2.98Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.17Å; K78-L81 PolarHBondContact O-N 3.39Å; K78-E82 WeakPolarHBondContact O-CG 3.48Å; K78-E82 PolarHBondContact O-N 2.93Å
79	K	88.7	Confident	88.6	Confident	41 Å²	41	41.7 Å²	41.7	18%	0.178	25%	0.246	C	C	.	.	H	α-helix	trans	-69.7	-34.4	179.4	-68.3	-70.6	156.4	-154.9	0	113.8	W7 F75 L76 I77 E82 G83 L84	W7-K79 HydrophobicContact CE3-CB 4.48Å; W7-K79 HydrophobicContact CE3-CG 4.19Å; W7-K79 HydrophobicContact CH2-CB 3.65Å; W7-K79 HydrophobicContact CH2-CG 4.12Å; W7-K79 HydrophobicContact CZ2-CB 4.31Å; W7-K79 HydrophobicContact CZ2-CG 4.49Å; W7-K79 HydrophobicContact CZ3-CB 3.75Å; W7-K79 HydrophobicContact CZ3-CG 3.96Å; F75-K79 HydrophobicContact CD1-CG 3.94Å; F75-K79 HydrophobicContact CE1-CD 4.28Å; F75-K79 HydrophobicContact CE1-CG 3.62Å; F75-K79 HydrophobicContact CZ-CD 4.41Å; F75-K79 HydrophobicContact CZ-CG 4.17Å; F75-K79 WeakPolarHBondContact O-CG 3.42Å; F75-K79 PolarHBondContact O-N 2.67Å; L76-K79 PolarHBondContact O-N 3.37Å; L76-K79 VanDerWaalsContact O-N 3.09Å; I77-K79 PolarHBondContact O-N 2.89Å; K79-E82 VanDerWaalsContact NZ-CD 3.34Å; K79-E82 IonicContact NZ-OE1 2.82Å; K79-E82 PolarHBondContact NZ-OE1 3.4Å; K79-E82 IonicContact NZ-OE2 3.21Å; K79-E82 PolarHBondContact NZ-OE2 3.19Å; K79-E82 PolarHBondContact O-N 2.9Å; K79-G83 PolarHBondContact O-N 3.32Å; K79-L84 HydrophobicContact CB-CD1 4.47Å; K79-L84 HydrophobicContact CD-CD1 3.72Å; K79-L84 WeakPolarHBondContact O-CB 3.24Å; K79-L84 PolarHBondContact O-N 3.28Å
80	T	90.1	Very high	88	Confident	28 Å²	28	41.9 Å²	41.9	17%	0.172	25%	0.248	C	C	.	.	H	α-helix	trans	-69.2	-37.4	174.4	-50.3	0	0	0	0	111.8	L45 V49 L76 I77 E82 G83 L86	L45-T80 HydrophobicContact CD1-CG2 4.23Å; L45-T80 HydrophobicContact CD2-CG2 3.9Å; V49-T80 HydrophobicContact CG1-CG2 3.98Å; L76-T80 PolarHBondContact O-N 2.86Å; L76-T80 PolarHBondContact O-OG1 3.3Å; I77-T80 PolarHBondContact O-N 2.92Å; T80-E82 VanDerWaalsContact C-N 3.35Å; T80-G83 WeakPolarHBondContact O-CA 3.36Å; T80-G83 PolarHBondContact O-N 3.01Å; T80-L86 VanDerWaalsContact OG1-CD2 3.25Å; T80-L86 WeakPolarHBondContact OG1-CD2 3.46Å
81	L	89.2	Confident	87.3	Confident	102 Å²	102	42.1 Å²	42.1	53%	0.534	25%	0.249	S	C	.	.	H	α-helix	trans	-70	-29.4	172.8	-69.8	172.6	0	0	0	113	L45 I77 K78 G83	L45-L81 HydrophobicContact CD1-CG 4.47Å; L45-L81 HydrophobicContact CD2-CD2 3.77Å; L45-L81 HydrophobicContact CD2-CG 4.3Å; L45-L81 HydrophobicContact CG-CD2 4.05Å; L45-L81 HydrophobicContact CG-CG 4.38Å; I77-L81 HydrophobicContact CG2-CD1 3.91Å; I77-L81 HydrophobicContact CG2-CG 4.47Å; I77-L81 WeakPolarHBondContact O-CB 3.44Å; I77-L81 WeakPolarHBondContact O-CG 3.44Å; I77-L81 PolarHBondContact O-N 3.39Å; K78-L81 PolarHBondContact O-N 3.39Å; L81-G83 PolarHBondContact O-N 3.41Å
82	E	88.9	Confident	86.4	Confident	103 Å²	103	46.5 Å²	46.5	48%	0.481	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-0.7	167.1	-70.6	171.9	-153.2	0	0	113.2	K78 K79 T80	K78-E82 WeakPolarHBondContact O-CG 3.48Å; K78-E82 PolarHBondContact O-N 2.93Å; K79-E82 VanDerWaalsContact NZ-CD 3.34Å; K79-E82 IonicContact NZ-OE1 2.82Å; K79-E82 PolarHBondContact NZ-OE1 3.4Å; K79-E82 IonicContact NZ-OE2 3.21Å; K79-E82 PolarHBondContact NZ-OE2 3.19Å; K79-E82 PolarHBondContact O-N 2.9Å; T80-E82 VanDerWaalsContact C-N 3.35Å
83	G	84.2	Confident	85.4	Confident	65 Å²	65	47.1 Å²	47.1	67%	0.67	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	8.3	175.7	0	0	0	0	0	115.4	K79 T80 L81	K79-G83 PolarHBondContact O-N 3.32Å; T80-G83 WeakPolarHBondContact O-CA 3.36Å; T80-G83 PolarHBondContact O-N 3.01Å; L81-G83 PolarHBondContact O-N 3.41Å
84	L	82.2	Confident	84.6	Confident	69 Å²	69	47.2 Å²	47.2	36%	0.361	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-83.2	137.7	177.5	-64.4	169.4	0	0	0	111.2	W7 K79	W7-L84 HydrophobicContact CH2-CB 4.25Å; W7-L84 HydrophobicContact CZ2-CB 4.02Å; W7-L84 HydrophobicContact CZ2-CD1 3.96Å; K79-L84 HydrophobicContact CB-CD1 4.47Å; K79-L84 HydrophobicContact CD-CD1 3.72Å; K79-L84 WeakPolarHBondContact O-CB 3.24Å; K79-L84 PolarHBondContact O-N 3.28Å
85	P	83.4	Confident	83.6	Confident	96 Å²	96	50.6 Å²	50.6	62%	0.623	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-65.3	144.8	177.1	28.5	-34.8	0	0	0	110.9
86	L	83.4	Confident	82.4	Confident	29 Å²	29	55.2 Å²	55.2	15%	0.152	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-65.1	138.3	176.3	-76.8	171.4	0	0	0	111.1	V49 Q52 I53 L56 L76 T80	V49-L86 HydrophobicContact CG1-CD1 4Å; Q52-L86 HydrophobicContact CB-CD1 4.2Å; Q52-L86 HydrophobicContact CG-CD1 4.07Å; I53-L86 HydrophobicContact CD1-CD1 4.3Å; I53-L86 HydrophobicContact CD1-CD2 4.16Å; I53-L86 HydrophobicContact CG1-CD1 3.72Å; I53-L86 HydrophobicContact CG1-CD2 3.68Å; I53-L86 HydrophobicContact CG1-CG 4.35Å; L56-L86 HydrophobicContact CD1-CB 4.46Å; L56-L86 HydrophobicContact CD1-CD2 4.49Å; L76-L86 HydrophobicContact CB-CD2 4.26Å; L76-L86 HydrophobicContact CD2-CD2 4.4Å; T80-L86 VanDerWaalsContact OG1-CD2 3.25Å; T80-L86 WeakPolarHBondContact OG1-CD2 3.46Å
87	P	80.3	Confident	81.1	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.013	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-64.3	145	172.3	26	-31.9	0	0	0	110.8	W4 W7 L56 L76 T89 P91	W4-P87 HydrophobicContact CE3-CB 3.95Å; W4-P87 HydrophobicContact CH2-CB 3.83Å; W4-P87 HydrophobicContact CZ2-CB 4.47Å; W4-P87 HydrophobicContact CZ3-CB 3.54Å; W4-P87 HydrophobicContact CZ3-CG 4.06Å; W7-P87 HydrophobicContact CZ3-CG 4.37Å; L56-P87 HydrophobicContact CD1-CG 4.48Å; L56-P87 VanDerWaalsContact CD1-O 3.28Å; L56-P87 WeakPolarHBondContact CD1-O 3.42Å; L76-P87 HydrophobicContact CD2-CG 4.16Å; P87-T89 VanDerWaalsContact C-N 3.25Å; P87-T89 WeakPolarHBondContact CB-O 3.37Å; P87-T89 PolarHBondContact O-N 2.83Å; P87-P91 HydrophobicContact CB-CG 4.13Å; P87-P91 HydrophobicContact CG-CG 4.2Å
88	S	76.8	Confident	79.6	Confident	110 Å²	110	62 Å²	62	77%	0.769	36%	0.362	S	S	*	.	S	Bend	trans	-72.3	-18.1	172.8	54	0	0	0	0	113.6
89	T	81.2	Confident	77.7	Confident	105 Å²	105	64.3 Å²	64.3	64%	0.644	37%	0.374	S	S	*	.	S	Bend	trans	-149	140.3	176.2	51.1	0	0	0	0	109.6	P87 P91	P87-T89 VanDerWaalsContact C-N 3.25Å; P87-T89 WeakPolarHBondContact CB-O 3.37Å; P87-T89 PolarHBondContact O-N 2.83Å; T89-P91 VanDerWaalsContact O-CD 3.27Å; T89-P91 WeakPolarHBondContact O-CD 3.4Å
90	L	81.4	Confident	75.5	Confident	16 Å²	16	65.9 Å²	65.9	8%	0.084	39%	0.388	C	S	.	.			trans	-60	117.5	-173.3	-176.8	67.7	0	0	0	112.5	L56 M59 I72 L94 K95	L56-L90 WeakPolarHBondContact O-CD2 3.26Å; M59-L90 HydrophobicContact CG-CD2 4.05Å; M59-L90 HydrophobicContact SD-CD2 3.75Å; I72-L90 HydrophobicContact CD1-CD2 4.16Å; I72-L90 HydrophobicContact CG2-CD1 3.53Å; I72-L90 HydrophobicContact CG2-CD2 4.16Å; L90-L94 HydrophobicContact CD1-CB 3.86Å; L90-L94 HydrophobicContact CD1-CD1 3.93Å; L90-L94 HydrophobicContact CD1-CG 4.44Å; L90-L94 HydrophobicContact CG-CB 4.26Å; L90-K95 HydrophobicContact CD2-CD 4.41Å; L90-K95 HydrophobicContact CD2-CG 3.78Å; L90-K95 HydrophobicContact CG-CG 4.24Å; L90-K95 WeakPolarHBondContact O-CE 3.49Å
91	P	79.1	Confident	73.2	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.032	40%	0.398	C	S	.	.			trans	-57.8	147.6	-176.9	-29.5	37	0	0	0	114.5	W4 W7 P87 T89 G93 L94	W4-P91 HydrophobicContact CB-CB 4.22Å; W4-P91 HydrophobicContact CB-CG 4.22Å; W4-P91 HydrophobicContact CD2-CG 4.49Å; W4-P91 HydrophobicContact CE3-CG 3.99Å; W7-P91 HydrophobicContact CB-CB 4.45Å; P87-P91 HydrophobicContact CB-CG 4.13Å; P87-P91 HydrophobicContact CG-CG 4.2Å; T89-P91 VanDerWaalsContact O-CD 3.27Å; T89-P91 WeakPolarHBondContact O-CD 3.4Å; P91-G93 VanDerWaalsContact C-N 3.29Å; P91-G93 PolarHBondContact O-N 2.85Å; P91-L94 HydrophobicContact CG-CD1 4.33Å; P91-L94 PolarHBondContact O-N 3.42Å; P91-L94 VanDerWaalsContact O-N 3.11Å
92	P	74.3	Confident	70.6	Confident	92 Å²	92	66.9 Å²	66.9	60%	0.597	40%	0.395	S	S	*	.	H	α-helix	trans	-57.2	-38.1	179.5	-26.1	35.1	0	0	0	114	L94 K95 N96	P92-L94 PolarHBondContact O-N 3.41Å; P92-K95 PolarHBondContact O-N 2.89Å; P92-K95 VanDerWaalsContact O-N 3.08Å; P92-N96 PolarHBondContact O-N 2.93Å
93	G	72	Confident	68	Low	13 Å²	13	68 Å²	68	13%	0.134	40%	0.403	C	S	.	.	H	α-helix	trans	-61.6	-22.8	178.9	0	0	0	0	0	114.8	W7 P91	W7-G93 CarbonylContact O-C 3.55Å; W7-G93 WeakPolarHBondContact O-CA 3.29Å; P91-G93 VanDerWaalsContact C-N 3.29Å; P91-G93 PolarHBondContact O-N 2.85Å
94	L	76.9	Confident	65.6	Low	1 Å²	1	70.5 Å²	70.5	1%	0.005	41%	0.405	C	S	.	.	H	α-helix	trans	-85.4	-20	176.6	-90.7	159.4	0	0	0	113.6	W7 I9 I72 F75 L76 L90 P91 P92	W7-L94 HydrophobicContact CB-CD1 4.1Å; W7-L94 HydrophobicContact CB-CG 4.47Å; W7-L94 HydrophobicContact CE3-CD1 3.98Å; W7-L94 PolarHBondContact O-N 3.17Å; I9-L94 HydrophobicContact CD1-CD2 3.73Å; I9-L94 HydrophobicContact CG1-CD2 3.53Å; I72-L94 HydrophobicContact CG1-CD2 4.25Å; I72-L94 HydrophobicContact CG2-CD2 4.44Å; F75-L94 HydrophobicContact CB-CD2 4.09Å; F75-L94 HydrophobicContact CD1-CD1 4.04Å; F75-L94 HydrophobicContact CD1-CD2 3.63Å; F75-L94 HydrophobicContact CD1-CG 4.26Å; F75-L94 HydrophobicContact CE1-CD1 4.23Å; F75-L94 HydrophobicContact CE1-CD2 4.2Å; F75-L94 HydrophobicContact CE1-CG 4.44Å; F75-L94 HydrophobicContact CG-CD2 3.91Å; L76-L94 HydrophobicContact CD2-CD1 4.14Å; L90-L94 HydrophobicContact CD1-CB 3.86Å; L90-L94 HydrophobicContact CD1-CD1 3.93Å; L90-L94 HydrophobicContact CD1-CG 4.44Å; L90-L94 HydrophobicContact CG-CB 4.26Å; P91-L94 HydrophobicContact CG-CD1 4.33Å; P91-L94 PolarHBondContact O-N 3.42Å; P91-L94 VanDerWaalsContact O-N 3.11Å; P92-L94 PolarHBondContact O-N 3.41Å
95	K	73.8	Confident	63.2	Low	99 Å²	99	73.2 Å²	73.2	43%	0.43	43%	0.43	S	S	.	.	H	α-helix	trans	-84.7	-22	178.4	-64.6	178	177.5	175.9	0	112.4	M59 K68 L90 P92	M59-K95 HydrophobicContact SD-CG 4.34Å; K68-K95 WeakPolarHBondContact CE-O 3.38Å; K68-K95 PolarHBondContact NZ-O 3.37Å; L90-K95 HydrophobicContact CD2-CD 4.41Å; L90-K95 HydrophobicContact CD2-CG 3.78Å; L90-K95 HydrophobicContact CG-CG 4.24Å; L90-K95 WeakPolarHBondContact O-CE 3.49Å; P92-K95 PolarHBondContact O-N 2.89Å; P92-K95 VanDerWaalsContact O-N 3.08Å
96	N	68	Low	60.6	Low	106 Å²	106	72 Å²	72	57%	0.567	43%	0.434	S	S	*	.	S	Bend	trans	-74.7	155.2	176.9	-64.8	-23.1	0	0	0	111.5	P92	P92-N96 PolarHBondContact O-N 2.93Å
97	D	64.7	Low	58.3	Low	109 Å²	109	77 Å²	77	58%	0.583	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-74.3	150.2	177.3	-66.1	-34.2	0	0	0	111.4	K68 Q99	K68-D97 IonicContact NZ-OD1 2.7Å; K68-D97 PolarHBondContact NZ-OD1 3.35Å; D97-Q99 PolarHBondContact O-N 3.32Å
98	P	61.2	Low	55.8	Low	41 Å²	41	82.8 Å²	82.8	27%	0.266	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-64.2	127.3	-159.5	25.4	-37.4	0	0	0	113	I9 R14	I9-P98 WeakPolarHBondContact O-CA 3.27Å; I9-P98 WeakPolarHBondContact O-CB 3.39Å; R14-P98 HydrophobicContact CB-CB 4.16Å; R14-P98 HydrophobicContact CB-CG 4.22Å; R14-P98 HydrophobicContact CG-CG 4.14Å
99	Q	52.3	Low	53.7	Low	118 Å²	118	86 Å²	86	55%	0.551	51%	0.509	S	S	*	.	B	Isolated β-bridge	trans	-72.5	138.8	179.5	-69.3	-69.3	-66.8	0	0	111.3	V8 I9 T11 D97 A101	V8-Q99 HydrophobicContact CG1-CB 4.1Å; V8-Q99 HydrophobicContact CG1-CG 3.81Å; I9-Q99 PolarHBondContact O-N 2.96Å; T11-Q99 PolarHBondContact N-O 2.95Å; T11-Q99 PolarHBondContact OG1-O 3.48Å; D97-Q99 PolarHBondContact O-N 3.32Å; Q99-A101 PolarHBondContact O-N 3.43Å
100	P	42	Very low	51.3	Low	75 Å²	75	86.2 Å²	86.2	49%	0.487	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-56.7	133.5	168.6	-23.8	34.2	0	0	0	111.2	F102	P100-F102 HydrophobicContact CB-CE2 4.25Å; P100-F102 PolarHBondContact O-N 3.26Å
101	A	41.5	Very low	49	Very low	46 Å²	46	93.7 Å²	93.7	38%	0.38	55%	0.554	S	S	.	*			trans	-72.9	85.4	-176.4	0	0	0	0	0	112	Q99 I103	Q99-A101 PolarHBondContact O-N 3.43Å; A101-I103 VanDerWaalsContact C-N 3.33Å; A101-I103 PolarHBondContact O-N 2.92Å
102	F	35.5	Very low	46.6	Very low	104 Å²	104	98.8 Å²	98.8	46%	0.456	59%	0.59	S	S	.	*			trans	-69.7	89.8	168.3	-79.6	-81.6	0	0	0	110.3	P100 T104 Y179	P100-F102 HydrophobicContact CB-CE2 4.25Å; P100-F102 PolarHBondContact O-N 3.26Å; F102-T104 PolarHBondContact O-N 3.37Å; F102-T104 VanDerWaalsContact O-N 3.08Å; F102-Y179 HydrophobicContact CE1-CD1 4.27Å; F102-Y179 AromaticContact CE1-CE1 3.79Å; F102-Y179 HydrophobicContact CE1-CE1 3.79Å; F102-Y179 AromaticContact CZ-CD1 3.85Å; F102-Y179 HydrophobicContact CZ-CD1 3.85Å; F102-Y179 AromaticContact CZ-CE1 3.7Å; F102-Y179 HydrophobicContact CZ-CE1 3.7Å
103	I	34.8	Very low	44.7	Very low	126 Å²	126	101.9 Å²	101.9	65%	0.646	60%	0.6	S	S	*	*			trans	-54.5	114.4	179.6	-50.8	173.2	0	0	0	110.3	A101 R151	A101-I103 VanDerWaalsContact C-N 3.33Å; A101-I103 PolarHBondContact O-N 2.92Å; I103-R151 VanDerWaalsContact N-NH2 3.17Å; I103-R151 PolarHBondContact O-NH1 3.21Å
104	T	32.8	Very low	42.9	Very low	118 Å²	118	107.5 Å²	107.5	72%	0.724	63%	0.632	S	S	*	*			trans	-129.6	115.6	169.2	54.6	0	0	0	0	109.8	F102	F102-T104 PolarHBondContact O-N 3.37Å; F102-T104 VanDerWaalsContact O-N 3.08Å
105	S	31.7	Very low	41	Very low	127 Å²	127	112.6 Å²	112.6	89%	0.888	67%	0.668	S	S	*	*			trans	51.6	111.5	157	-55.1	0	0	0	0	119.8
106	G	29.3	Very low	39	Very low	69 Å²	69	114.9 Å²	114.9	71%	0.711	68%	0.684	S	S	*	*			trans	146.5	132.9	147.8	0	0	0	0	0	117.3
107	V	34	Very low	37.5	Very low	135 Å²	135	115 Å²	115	82%	0.818	69%	0.694	S	S	*	*			trans	46	91	150.9	-67.9	0	0	0	0	120.2
108	T	28.4	Very low	36	Very low	124 Å²	124	113.4 Å²	113.4	76%	0.761	70%	0.703	S	S	*	*				51	117.3	122.4	57.1	0	0	0	0	120.9
109	L	33.4	Very low	34.7	Very low	178 Å²	178	118.3 Å²	118.3	93%	0.932	73%	0.727	S	S	*	*			trans	-109.5	125.2	144.1	-83.8	172.2	0	0	0	109.4
110	S	29.2	Very low	33.9	Very low	108 Å²	108	119.8 Å²	119.8	76%	0.755	74%	0.738	S	S	*	*			trans	-92.3	121.7	-179.6	-55.5	0	0	0	0	111
111	L	33.8	Very low	33.4	Very low	174 Å²	174	119.8 Å²	119.8	91%	0.911	75%	0.753	S	S	*	*			trans	-96	115.2	151.2	-87	86.7	0	0	0	108.1
112	S	29.4	Very low	33	Very low	111 Å²	111	125.1 Å²	125.1	78%	0.776	77%	0.774	S	S	*	*			trans	-86.5	114.7	172.5	54.6	0	0	0	0	110.5
113	L	33.5	Very low	32.9	Very low	158 Å²	158	125 Å²	125	83%	0.827	79%	0.786	S	S	*	*			trans	-151	126.7	155.2	-137.8	80.8	0	0	0	111
114	V	35	Very low	32.6	Very low	130 Å²	130	124.8 Å²	124.8	79%	0.788	80%	0.796	S	S	*	*			trans	61.1	141.3	165.4	-57.3	0	0	0	0	122
115	S	35.9	Very low	32.8	Very low	109 Å²	109	125.8 Å²	125.8	76%	0.762	80%	0.801	S	S	*	*			trans	78.7	81	148.3	-62.9	0	0	0	0	121.7
116	D	31.8	Very low	33.1	Very low	146 Å²	146	124.9 Å²	124.9	78%	0.781	80%	0.795	S	S	*	*				72.5	133.9	106.5	-160.7	17.8	0	0	0	121.9
117	S	37.1	Very low	33.4	Very low	110 Å²	110	126.5 Å²	126.5	77%	0.769	80%	0.795	S	S	*	*			trans	51	133.2	157.2	-71.7	0	0	0	0	121.3
118	G	33.6	Very low	33.5	Very low	75 Å²	75	128.4 Å²	128.4	77%	0.773	80%	0.799	S	S	*	*			trans	-172.5	-26.9	167	0	0	0	0	0	123.7
119	N	34.4	Very low	33.8	Very low	143 Å²	143	125.8 Å²	125.8	77%	0.765	80%	0.797	S	S	*	*			trans	67.3	118.8	165.3	-155	46.2	0	0	0	120.3
120	N	34.1	Very low	34.2	Very low	149 Å²	149	125.5 Å²	125.5	80%	0.797	79%	0.791	S	S	*	*			trans	58.1	141.2	147.3	-62.7	-12	0	0	0	122.8
121	G	33.1	Very low	34.4	Very low	76 Å²	76	126.5 Å²	126.5	78%	0.784	79%	0.788	S	S	*	*			trans	177.7	-4.4	172	0	0	0	0	0	120.5
122	L	31.6	Very low	34.7	Very low	158 Å²	158	123.3 Å²	123.3	83%	0.827	78%	0.78	S	S	*	*			trans	30.4	116.7	159.5	-80	165.3	0	0	0	122
123	S	33.3	Very low	34.9	Very low	101 Å²	101	125.2 Å²	125.2	71%	0.706	78%	0.781	S	S	*	*			trans	51.3	112.6	137.1	62.1	0	0	0	0	120.9
124	S	29.9	Very low	34.8	Very low	122 Å²	122	122.3 Å²	122.3	85%	0.853	77%	0.774	S	S	*	*			trans	-71.9	125.5	158.3	54.8	0	0	0	0	112.4
125	V	37.1	Very low	34.7	Very low	139 Å²	139	121.1 Å²	121.1	84%	0.842	78%	0.778	S	S	*	*			trans	-132	131.9	156.1	-178.9	0	0	0	0	108.5
126	S	36.1	Very low	34.7	Very low	108 Å²	108	120.3 Å²	120.3	76%	0.755	77%	0.772	S	S	*	*			trans	-82.2	138.2	-177	52.8	0	0	0	0	113.1
127	S	36	Very low	34.8	Very low	102 Å²	102	119.7 Å²	119.7	71%	0.713	77%	0.774	S	S	*	*				175.5	151.1	121.7	46.8	0	0	0	0	113.2
128	I	37.3	Very low	34.9	Very low	176 Å²	176	118.2 Å²	118.2	90%	0.903	77%	0.769	S	S	*	*			trans	65.5	131.9	162.9	-62.3	155.3	0	0	0	116.3
129	G	34.6	Very low	35.3	Very low	69 Å²	69	124.4 Å²	124.4	71%	0.711	77%	0.77	S	S	*	*			trans	158.8	27.8	168.9	0	0	0	0	0	122.3
130	Q	41.7	Very low	36	Very low	172 Å²	172	124.1 Å²	124.1	80%	0.804	76%	0.764	S	S	*	*			trans	62.7	133.4	158.4	-72.5	-175.2	-105.5	0	0	121.9
131	D	32.1	Very low	37.2	Very low	129 Å²	129	121.7 Å²	121.7	69%	0.69	75%	0.751	S	S	*	*			trans	50.4	112	134.2	-42.9	-24.4	0	0	0	119.3
132	S	40.7	Very low	39	Very low	107 Å²	107	120.9 Å²	120.9	75%	0.748	72%	0.724	S	S	*	*				176.5	155.5	60.3	45.6	0	0	0	0	114.9
133	N	34.3	Very low	40.8	Very low	151 Å²	151	117.3 Å²	117.3	81%	0.807	71%	0.705	S	S	*	*			trans	61.1	126.6	145.6	-78.5	-7.1	0	0	0	125.1
134	S	31.8	Very low	42.7	Very low	97 Å²	97	113.6 Å²	113.6	68%	0.678	68%	0.677	S	S	*	*				83.7	81.5	129.3	-60.1	0	0	0	0	122.2
135	A	31.2	Very low	44.7	Very low	105 Å²	105	111 Å²	111	87%	0.868	66%	0.657	S	S	*	*				36	97.3	122.3	0	0	0	0	0	119.7
136	S	36.2	Very low	46	Very low	91 Å²	91	109.7 Å²	109.7	64%	0.636	65%	0.653	S	S	*	*			trans	-152.5	0.9	160.5	53.3	0	0	0	0	115.7	A138	S136-A138 VanDerWaalsContact C-N 3.26Å; S136-A138 PolarHBondContact O-N 2.88Å
137	T	34.5	Very low	47.9	Very low	133 Å²	133	110.2 Å²	110.2	82%	0.816	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	45	-162.8	-29.2	0	0	0	0	115.8
138	A	39.3	Very low	50	Low	80 Å²	80	107.5 Å²	107.5	66%	0.661	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	-4.5	177.7	0	0	0	0	0	114.2	S136	S136-A138 VanDerWaalsContact C-N 3.26Å; S136-A138 PolarHBondContact O-N 2.88Å
139	Y	42.8	Very low	52.3	Low	204 Å²	204	103.3 Å²	103.3	80%	0.8	60%	0.602	S	S	*	*	S	Bend	trans	-110.7	-9.5	-170	-79.6	-81.9	0	0	0	115.9	D141	Y139-D141 VanDerWaalsContact C-N 3.27Å; Y139-D141 PolarHBondContact O-N 2.67Å
140	Q	48.5	Very low	54.7	Low	138 Å²	138	103.8 Å²	103.8	65%	0.645	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-70.5	-17.7	176.7	-90.2	78	15.4	0	0	114.4	W142	Q140-W142 VanDerWaalsContact C-N 3.28Å; Q140-W142 PolarHBondContact O-N 2.93Å
141	D	59.8	Low	56.8	Low	97 Å²	97	99.7 Å²	99.7	52%	0.519	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-77.4	-8.9	-159	-142	0.8	0	0	0	115.2	Y139 K215	Y139-D141 VanDerWaalsContact C-N 3.27Å; Y139-D141 PolarHBondContact O-N 2.67Å; D141-K215 VanDerWaalsContact CG-NZ 3.31Å; D141-K215 WeakPolarHBondContact O-CE 3.47Å; D141-K215 PolarHBondContact O-NZ 3.01Å; D141-K215 VanDerWaalsContact O-NZ 3.17Å; D141-K215 IonicContact OD1-NZ 2.62Å; D141-K215 PolarHBondContact OD1-NZ 2.68Å; D141-K215 IonicContact OD2-NZ 3.82Å
142	W	70.5	Confident	59.7	Low	59 Å²	59	93.6 Å²	93.6	22%	0.223	54%	0.538	C	S	.	.	G	3₁₀ helix	trans	-121.7	43.6	-176.3	-63	99.9	0	0	0	112.9	Q140 F211 L212 K215 P223 P227 L230	Q140-W142 VanDerWaalsContact C-N 3.28Å; Q140-W142 PolarHBondContact O-N 2.93Å; W142-F211 HydrophobicContact CE3-CE1 4.29Å; W142-L212 HydrophobicContact CZ3-CD2 4.09Å; W142-K215 HydrophobicContact CH2-CB 4.43Å; W142-K215 HydrophobicContact CZ3-CB 4.14Å; W142-K215 HydrophobicContact CZ3-CG 4.03Å; W142-P223 HydrophobicContact CD2-CG 4.25Å; W142-P223 HydrophobicContact CE3-CG 3.94Å; W142-P223 HydrophobicContact CH2-CG 3.64Å; W142-P223 HydrophobicContact CZ2-CG 3.92Å; W142-P223 HydrophobicContact CZ3-CG 3.64Å; W142-P227 HydrophobicContact CB-CB 3.88Å; W142-P227 HydrophobicContact CB-CG 3.93Å; W142-P227 HydrophobicContact CD2-CG 4.09Å; W142-P227 HydrophobicContact CE3-CG 4.41Å; W142-P227 HydrophobicContact CG-CB 4.28Å; W142-P227 HydrophobicContact CG-CG 3.86Å; W142-L230 WeakPolarHBondContact O-CD2 3.36Å; W142-L230 WeakPolarHBondContact O-CG 3.48Å
143	I	68.8	Low	62.1	Low	83 Å²	83	92.2 Å²	92.2	43%	0.426	52%	0.516	S	S	.	.			trans	-125.7	128.5	178.6	-54.8	176.6	0	0	0	109.5	T145	I143-T145 PolarHBondContact O-N 2.61Å; I143-T145 VanDerWaalsContact O-N 3.13Å
144	I	72.6	Confident	64.6	Low	23 Å²	23	90.9 Å²	90.9	12%	0.118	51%	0.508	C	S	.	.			trans	-68.7	110.8	170.6	-61.3	168.8	0	0	0	108.2	N148 R149 Y152 C207 I208 F211 L230	I144-N148 HydrophobicContact CG2-CB 4.35Å; I144-R149 HydrophobicContact CG2-CB 3.83Å; I144-R149 HydrophobicContact CG2-CG 4.41Å; I144-Y152 HydrophobicContact CG1-CE2 4.5Å; I144-Y152 HydrophobicContact CG2-CD2 4.17Å; I144-Y152 HydrophobicContact CG2-CE2 3.85Å; I144-C207 HydrophobicContact CD1-CB 4.21Å; I144-C207 WeakPolarHBondContact CD1-O 3.35Å; I144-I208 HydrophobicContact CD1-CG1 4.35Å; I144-F211 HydrophobicContact CD1-CB 4.08Å; I144-F211 HydrophobicContact CD1-CG 4.4Å; I144-F211 HydrophobicContact CG1-CB 3.76Å; I144-F211 HydrophobicContact CG1-CD1 4.03Å; I144-F211 HydrophobicContact CG1-CD2 3.81Å; I144-F211 HydrophobicContact CG1-CE2 4.4Å; I144-F211 HydrophobicContact CG1-CG 3.59Å; I144-L230 HydrophobicContact CD1-CD2 4.18Å; I144-L230 HydrophobicContact CG1-CD2 3.78Å
145	T	73	Confident	67.4	Low	69 Å²	69	88 Å²	88	42%	0.423	49%	0.485	S	S	.	.			trans	-62.5	149.9	178	61.7	0	0	0	0	111.6	I143 T147 N148 R149	I143-T145 PolarHBondContact O-N 2.61Å; I143-T145 VanDerWaalsContact O-N 3.13Å; T145-T147 PolarHBondContact O-N 3.13Å; T145-N148 PolarHBondContact O-N 3.44Å; T145-N148 PolarHBondContact OG1-N 3.34Å; T145-N148 PolarHBondContact OG1-OD1 2.81Å; T145-R149 PolarHBondContact O-N 2.75Å; T145-R149 VanDerWaalsContact O-N 3.17Å
146	S	64.9	Low	70.2	Confident	111 Å²	111	83.1 Å²	83.1	78%	0.776	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.6	177.6	-50.8	0	0	0	0	113.3	P150	S146-P150 WeakPolarHBondContact O-CD 3.45Å
147	T	74.5	Confident	72.7	Confident	118 Å²	118	83.9 Å²	83.9	72%	0.724	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-37.1	175.6	-41.4	0	0	0	0	112.9	T145	T145-T147 PolarHBondContact O-N 3.13Å
148	N	81.4	Confident	75.3	Confident	45 Å²	45	83.8 Å²	83.8	24%	0.241	43%	0.431	C	S	.	.	H	α-helix	trans	-83.9	-34.8	-175.6	-73.2	27.5	0	0	0	112.2	I144 T145 R151 Y152	I144-N148 HydrophobicContact CG2-CB 4.35Å; T145-N148 PolarHBondContact O-N 3.44Å; T145-N148 PolarHBondContact OG1-N 3.34Å; T145-N148 PolarHBondContact OG1-OD1 2.81Å; N148-R151 WeakPolarHBondContact O-CB 3.29Å; N148-R151 PolarHBondContact O-N 2.93Å; N148-Y152 HydrophobicContact CB-CE1 4.31Å; N148-Y152 HydrophobicContact CB-CE2 3.86Å; N148-Y152 PolarHBondContact ND2-OH 2.9Å; N148-Y152 PolarHBondContact O-N 2.79Å; N148-Y152 VanDerWaalsContact O-N 3.13Å
149	R	84.7	Confident	77.5	Confident	88 Å²	88	82.6 Å²	82.6	33%	0.332	41%	0.412	S	S	.	.	H	α-helix	trans	-54.4	-41.6	-177.2	-166.9	165	167	72.3	-2	114.2	I144 T145 R153 D204	I144-R149 HydrophobicContact CG2-CB 3.83Å; I144-R149 HydrophobicContact CG2-CG 4.41Å; T145-R149 PolarHBondContact O-N 2.75Å; T145-R149 VanDerWaalsContact O-N 3.17Å; R149-R153 WeakPolarHBondContact O-CG 3.29Å; R149-R153 PolarHBondContact O-N 2.83Å; R149-D204 IonicContact CZ-OD1 2.65Å; R149-D204 IonicContact NH1-OD1 2.69Å; R149-D204 PolarHBondContact NH1-OD1 3.45Å; R149-D204 IonicContact NH2-OD1 3.92Å; R149-D204 PolarHBondContact NH2-OD1 3.29Å
150	P	84.7	Confident	79.7	Confident	79 Å²	79	73.3 Å²	73.3	51%	0.513	38%	0.376	S	S	.	.	H	α-helix	trans	-65.1	-38.2	174.1	-22.9	34.8	0	0	0	113.7	S146 R153 L154	S146-P150 WeakPolarHBondContact O-CD 3.45Å; P150-R153 PolarHBondContact O-N 3.36Å; P150-L154 PolarHBondContact O-N 2.85Å
151	R	87.4	Confident	81.4	Confident	86 Å²	86	77.1 Å²	77.1	33%	0.325	38%	0.384	S	S	.	.	H	α-helix	trans	-63.4	-46.7	179.3	-179.9	-177.3	177.2	171.4	-0.3	111.4	I103 N148 R153 L154 L155	I103-R151 VanDerWaalsContact N-NH2 3.17Å; I103-R151 PolarHBondContact O-NH1 3.21Å; N148-R151 WeakPolarHBondContact O-CB 3.29Å; N148-R151 PolarHBondContact O-N 2.93Å; R151-R153 VanDerWaalsContact C-N 3.34Å; R151-R153 PolarHBondContact O-N 3.35Å; R151-L154 PolarHBondContact O-N 3.24Å; R151-L155 PolarHBondContact O-N 3.37Å; R151-L155 VanDerWaalsContact O-N 3.13Å
152	Y	91.6	Very high	82.4	Confident	2 Å²	2	78.1 Å²	78.1	1%	0.008	39%	0.39	C	S	.	.	H	α-helix	trans	-65	-37.6	177.1	-53.7	-25.6	0	0	0	111.9	I144 N148 L155 F156 C207 I210 F211 E214	I144-Y152 HydrophobicContact CG1-CE2 4.5Å; I144-Y152 HydrophobicContact CG2-CD2 4.17Å; I144-Y152 HydrophobicContact CG2-CE2 3.85Å; N148-Y152 HydrophobicContact CB-CE1 4.31Å; N148-Y152 HydrophobicContact CB-CE2 3.86Å; N148-Y152 PolarHBondContact ND2-OH 2.9Å; N148-Y152 PolarHBondContact O-N 2.79Å; N148-Y152 VanDerWaalsContact O-N 3.13Å; Y152-L155 PolarHBondContact O-N 3Å; Y152-F156 PolarHBondContact O-N 3.09Å; Y152-C207 VanDerWaalsContact CB-SG 3.53Å; Y152-C207 HydrophobicContact CD2-CB 4.16Å; Y152-I210 HydrophobicContact CD1-CB 4.11Å; Y152-I210 HydrophobicContact CD1-CG2 3.5Å; Y152-I210 HydrophobicContact CE1-CB 4.4Å; Y152-I210 HydrophobicContact CE1-CG2 3.58Å; Y152-I210 HydrophobicContact CG-CB 4.27Å; Y152-I210 HydrophobicContact CG-CG2 4.17Å; Y152-F211 HydrophobicContact CE2-CB 3.94Å; Y152-F211 HydrophobicContact CE2-CD2 4.42Å; Y152-E214 PolarHBondContact OH-OE2 3.25Å
153	R	90.9	Very high	82.9	Confident	78 Å²	78	84.4 Å²	84.4	29%	0.294	42%	0.419	S	S	.	.	H	α-helix	trans	-67.4	-33.9	175.1	-72.6	-174.2	168.6	-104.3	0.5	113.3	R149 P150 R151 F156 N157 C203 D204 C207	R149-R153 WeakPolarHBondContact O-CG 3.29Å; R149-R153 PolarHBondContact O-N 2.83Å; P150-R153 PolarHBondContact O-N 3.36Å; R151-R153 VanDerWaalsContact C-N 3.34Å; R151-R153 PolarHBondContact O-N 3.35Å; R153-F156 PolarHBondContact O-N 3.09Å; R153-N157 PolarHBondContact O-N 3.29Å; R153-N157 PolarHBondContact O-ND2 3.4Å; R153-C203 PolarHBondContact NH1-SG 3.18Å; R153-C203 VanDerWaalsContact NH1-SG 3.42Å; R153-D204 IonicContact CZ-OD1 3.67Å; R153-D204 IonicContact CZ-OD2 2.93Å; R153-D204 IonicContact NH2-OD1 2.72Å; R153-D204 PolarHBondContact NH2-OD1 3.13Å; R153-D204 IonicContact NH2-OD2 3.44Å; R153-D204 PolarHBondContact NH2-OD2 2.81Å; R153-C207 VanDerWaalsContact CG-SG 3.6Å
154	L	88.3	Confident	83.7	Confident	122 Å²	122	84.5 Å²	84.5	64%	0.639	41%	0.414	S	S	*	.	H	α-helix	trans	-65.1	-44.4	172.4	-178.2	60.8	0	0	0	111.4	P150 R151 F156 N157 Q158	P150-L154 PolarHBondContact O-N 2.85Å; R151-L154 PolarHBondContact O-N 3.24Å; L154-F156 VanDerWaalsContact C-N 3.32Å; L154-F156 PolarHBondContact O-N 2.89Å; L154-N157 PolarHBondContact O-N 3.26Å; L154-Q158 PolarHBondContact O-N 2.79Å
155	L	89.1	Confident	84.3	Confident	36 Å²	36	85.4 Å²	85.4	19%	0.188	43%	0.429	C	S	.	.	H	α-helix	trans	-62.3	-37.6	176.5	-176.8	67.3	0	0	0	112.4	R151 Y152 Q158 H159 Y179 F206 I210	R151-L155 PolarHBondContact O-N 3.37Å; R151-L155 VanDerWaalsContact O-N 3.13Å; Y152-L155 PolarHBondContact O-N 3Å; L155-Q158 PolarHBondContact O-N 3.33Å; L155-H159 PolarHBondContact O-N 2.75Å; L155-H159 PolarHBondContact O-ND1 3.29Å; L155-Y179 WeakPolarHBondContact CD2-OH 3.38Å; L155-F206 HydrophobicContact CB-CE1 4.22Å; L155-F206 HydrophobicContact CD2-CE1 4.04Å; L155-F206 HydrophobicContact CD2-CZ 3.96Å; L155-F206 HydrophobicContact CG-CE1 4.07Å; L155-F206 HydrophobicContact CG-CZ 4.05Å; L155-I210 HydrophobicContact CD2-CD1 4.16Å; L155-I210 HydrophobicContact CD2-CG1 4.37Å
156	F	90.6	Very high	85.1	Confident	4 Å²	4	85.6 Å²	85.6	2%	0.018	42%	0.424	C	S	.	.	H	α-helix	trans	-60.1	-52.4	171.3	179	-91.2	0	0	0	111.4	Y152 R153 L154 Q158 H159 D160 G165 L167 C203 F206	Y152-F156 PolarHBondContact O-N 3.09Å; R153-F156 PolarHBondContact O-N 3.09Å; L154-F156 VanDerWaalsContact C-N 3.32Å; L154-F156 PolarHBondContact O-N 2.89Å; F156-Q158 PolarHBondContact O-N 3.47Å; F156-H159 PolarHBondContact O-N 2.88Å; F156-D160 HydrophobicContact CE1-CB 4.15Å; F156-D160 HydrophobicContact CZ-CB 4.38Å; F156-D160 PolarHBondContact O-N 3.41Å; F156-G165 WeakPolarHBondContact CZ-O 3.17Å; F156-L167 HydrophobicContact CD2-CD1 3.64Å; F156-L167 HydrophobicContact CD2-CG 4.03Å; F156-L167 HydrophobicContact CE2-CB 4.44Å; F156-L167 HydrophobicContact CE2-CD1 3.83Å; F156-L167 HydrophobicContact CE2-CG 3.7Å; F156-L167 HydrophobicContact CZ-CG 4.4Å; F156-C203 HydrophobicContact CD1-CB 3.86Å; F156-C203 VanDerWaalsContact CD1-SG 3.55Å; F156-C203 HydrophobicContact CD2-CB 4.4Å; F156-C203 HydrophobicContact CE1-CB 3.74Å; F156-C203 HydrophobicContact CE2-CB 4.28Å; F156-C203 HydrophobicContact CG-CB 4.2Å; F156-C203 HydrophobicContact CZ-CB 3.96Å; F156-F206 HydrophobicContact CB-CD1 3.71Å; F156-F206 HydrophobicContact CB-CE1 4.01Å; F156-F206 HydrophobicContact CB-CG 4.38Å; F156-F206 HydrophobicContact CD2-CB 3.69Å; F156-F206 AromaticContact CD2-CD1 3.98Å; F156-F206 HydrophobicContact CD2-CD1 3.98Å; F156-F206 HydrophobicContact CD2-CD2 4.38Å; F156-F206 AromaticContact CD2-CG 3.77Å; F156-F206 HydrophobicContact CD2-CG 3.77Å; F156-F206 HydrophobicContact CE2-CB 4.29Å; F156-F206 HydrophobicContact CG-CD1 4.35Å
157	N	88.7	Confident	86.3	Confident	106 Å²	106	80.3 Å²	80.3	57%	0.567	39%	0.387	S	S	*	.	H	α-helix	trans	-61.8	-28.9	-179.5	-69.7	-15.3	0	0	0	113.3	R153 L154 H159	R153-N157 PolarHBondContact O-N 3.29Å; R153-N157 PolarHBondContact O-ND2 3.4Å; L154-N157 PolarHBondContact O-N 3.26Å; N157-H159 VanDerWaalsContact C-N 3.29Å
158	Q	89.1	Confident	87	Confident	131 Å²	131	76.5 Å²	76.5	61%	0.612	36%	0.363	S	S	*	.	H	α-helix	trans	-68.1	-28.2	175.1	-173.2	178.9	10	0	0	112.6	L154 L155 F156	L154-Q158 PolarHBondContact O-N 2.79Å; L155-Q158 PolarHBondContact O-N 3.33Å; F156-Q158 PolarHBondContact O-N 3.47Å
159	H	86.3	Confident	87.2	Confident	56 Å²	56	75.5 Å²	75.5	26%	0.259	36%	0.364	S	S	.	.	H	α-helix	trans	-102.4	-27.9	-175.8	-69.9	90.5	0	0	0	113.8	L155 F156 N157 R161 L167 I175	L155-H159 PolarHBondContact O-N 2.75Å; L155-H159 PolarHBondContact O-ND1 3.29Å; F156-H159 PolarHBondContact O-N 2.88Å; N157-H159 VanDerWaalsContact C-N 3.29Å; H159-R161 PolarHBondContact O-N 3Å; H159-L167 HydrophobicContact CB-CD1 4.34Å; H159-L167 HydrophobicContact CB-CD2 4.01Å; H159-I175 HydrophobicContact CB-CD1 3.47Å; H159-I175 VanDerWaalsContact CB-CD1 3.47Å; H159-I175 HydrophobicContact CB-CG1 4.39Å
160	D	88.8	Confident	87.4	Confident	8 Å²	8	77 Å²	77	4%	0.043	38%	0.382	C	S	.	.			trans	-77.3	65.1	169.6	-173.7	21	0	0	0	110.9	F156 N162 K163 R164 G165 L167	F156-D160 HydrophobicContact CE1-CB 4.15Å; F156-D160 HydrophobicContact CZ-CB 4.38Å; F156-D160 PolarHBondContact O-N 3.41Å; D160-N162 PolarHBondContact O-N 2.64Å; D160-K163 PolarHBondContact O-N 3.28Å; D160-K163 PolarHBondContact OD1-N 2.96Å; D160-K163 VanDerWaalsContact OD2-CA 3.26Å; D160-K163 WeakPolarHBondContact OD2-CA 3.42Å; D160-R164 VanDerWaalsContact CG-N 3.29Å; D160-R164 IonicContact OD1-CZ 2.65Å; D160-R164 PolarHBondContact OD1-N 3.34Å; D160-R164 IonicContact OD1-NE 2.74Å; D160-R164 PolarHBondContact OD1-NE 2.91Å; D160-R164 IonicContact OD1-NH2 3.49Å; D160-R164 PolarHBondContact OD2-N 3.26Å; D160-G165 PolarHBondContact OD2-N 2.8Å; D160-L167 HydrophobicContact CB-CD2 4.08Å
161	R	82.9	Confident	87.6	Confident	218 Å²	218	76.2 Å²	76.2	82%	0.823	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-27.9	-178.8	-66.2	-177	176.8	-169.5	-0.6	113.2	H159	H159-R161 PolarHBondContact O-N 3Å
162	N	80.8	Confident	87.7	Confident	119 Å²	119	72.1 Å²	72.1	64%	0.636	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	0.9	-176.3	-63.5	9.5	0	0	0	113.2	D160 R164	D160-N162 PolarHBondContact O-N 2.64Å; N162-R164 VanDerWaalsContact C-N 3.3Å; N162-R164 HydrophobicContact CB-CG 4.13Å; N162-R164 PolarHBondContact O-N 3.31Å
163	K	82.6	Confident	87.5	Confident	190 Å²	190	78.9 Å²	78.9	83%	0.826	38%	0.382	S	S	*	.			trans	52.7	41	-178.5	-56.8	-176.4	-179	179.9	0	113.9	D160 G165	D160-K163 PolarHBondContact O-N 3.28Å; D160-K163 PolarHBondContact OD1-N 2.96Å; D160-K163 VanDerWaalsContact OD2-CA 3.26Å; D160-K163 WeakPolarHBondContact OD2-CA 3.42Å; K163-G165 VanDerWaalsContact C-N 3.29Å; K163-G165 PolarHBondContact O-N 3.34Å
164	R	84.8	Confident	87.3	Confident	86 Å²	86	78.9 Å²	78.9	33%	0.325	39%	0.394	S	S	.	.			trans	-71.7	-19.2	177.4	-69.2	166.6	-66	-168.7	-1.4	113.6	D160 N162 F166 E171	D160-R164 VanDerWaalsContact CG-N 3.29Å; D160-R164 IonicContact OD1-CZ 2.65Å; D160-R164 PolarHBondContact OD1-N 3.34Å; D160-R164 IonicContact OD1-NE 2.74Å; D160-R164 PolarHBondContact OD1-NE 2.91Å; D160-R164 IonicContact OD1-NH2 3.49Å; D160-R164 PolarHBondContact OD2-N 3.26Å; N162-R164 VanDerWaalsContact C-N 3.3Å; N162-R164 HydrophobicContact CB-CG 4.13Å; N162-R164 PolarHBondContact O-N 3.31Å; R164-F166 VanDerWaalsContact C-N 3.27Å; R164-F166 HydrophobicContact CB-CD1 4.06Å; R164-F166 HydrophobicContact CB-CE1 3.88Å; R164-F166 HydrophobicContact CB-CZ 4.2Å; R164-F166 WeakPolarHBondContact O-CD1 3.35Å; R164-E171 IonicContact CZ-OE1 2.79Å; R164-E171 VanDerWaalsContact CZ-OE1 3.25Å; R164-E171 IonicContact CZ-OE2 3.56Å; R164-E171 IonicContact NH1-OE1 2.69Å; R164-E171 PolarHBondContact NH1-OE1 3.26Å; R164-E171 IonicContact NH1-OE2 3.49Å; R164-E171 PolarHBondContact NH1-OE2 3.24Å; R164-E171 VanDerWaalsContact NH2-CD 3.27Å; R164-E171 IonicContact NH2-OE1 3.33Å; R164-E171 PolarHBondContact NH2-OE1 2.79Å; R164-E171 IonicContact NH2-OE2 3.46Å; R164-E171 PolarHBondContact NH2-OE2 3.2Å
165	G	85.9	Confident	87.3	Confident	42 Å²	42	73.3 Å²	73.3	43%	0.433	37%	0.365	S	S	.	.	S	Bend	trans	82.7	-0.2	-173.8	0	0	0	0	0	114.4	F156 D160 K163	F156-G165 WeakPolarHBondContact CZ-O 3.17Å; D160-G165 PolarHBondContact OD2-N 2.8Å; K163-G165 VanDerWaalsContact C-N 3.29Å; K163-G165 PolarHBondContact O-N 3.34Å
166	F	89.6	Confident	87.3	Confident	73 Å²	73	71.8 Å²	71.8	32%	0.32	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	156.4	173.9	64	-91.8	0	0	0	111.4	R164 T168 N200 L201	R164-F166 VanDerWaalsContact C-N 3.27Å; R164-F166 HydrophobicContact CB-CD1 4.06Å; R164-F166 HydrophobicContact CB-CE1 3.88Å; R164-F166 HydrophobicContact CB-CZ 4.2Å; R164-F166 WeakPolarHBondContact O-CD1 3.35Å; F166-T168 HydrophobicContact CE2-CG2 4.14Å; F166-N200 HydrophobicContact CB-CB 4.34Å; F166-N200 HydrophobicContact CD2-CB 3.73Å; F166-N200 HydrophobicContact CE2-CB 4.41Å; F166-N200 HydrophobicContact CG-CB 4.28Å; F166-L201 WeakPolarHBondContact CA-O 3.35Å
167	L	89.1	Confident	87.1	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134	169.9	-68	169.1	0	0	0	109.2	F156 H159 D160 E171 A172 I175 N200 L201 F206	F156-L167 HydrophobicContact CD2-CD1 3.64Å; F156-L167 HydrophobicContact CD2-CG 4.03Å; F156-L167 HydrophobicContact CE2-CB 4.44Å; F156-L167 HydrophobicContact CE2-CD1 3.83Å; F156-L167 HydrophobicContact CE2-CG 3.7Å; F156-L167 HydrophobicContact CZ-CG 4.4Å; H159-L167 HydrophobicContact CB-CD1 4.34Å; H159-L167 HydrophobicContact CB-CD2 4.01Å; D160-L167 HydrophobicContact CB-CD2 4.08Å; L167-E171 HydrophobicContact CD2-CB 4.45Å; L167-A172 HydrophobicContact CB-CB 4.05Å; L167-I175 HydrophobicContact CD1-CD1 3.76Å; L167-N200 CarbonylContact O-C 3.5Å; L167-N200 VanDerWaalsContact O-CA 3.23Å; L167-N200 WeakPolarHBondContact O-CA 3.45Å; L167-L201 PolarHBondContact N-O 2.87Å; L167-L201 PolarHBondContact O-N 2.94Å; L167-F206 HydrophobicContact CD1-CD2 3.73Å; L167-F206 HydrophobicContact CD1-CE2 3.8Å; L167-F206 HydrophobicContact CD1-CG 4.37Å; L167-F206 HydrophobicContact CD1-CZ 4.5Å
168	T	89.8	Confident	87.1	Confident	37 Å²	37	76 Å²	76	23%	0.227	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	160.1	178.3	63.1	0	0	0	0	112.6	F166 V170 E171 A172 N200	F166-T168 HydrophobicContact CE2-CG2 4.14Å; T168-V170 PolarHBondContact O-N 3.14Å; T168-E171 WeakPolarHBondContact CB-OE2 3.34Å; T168-E171 WeakPolarHBondContact CG2-OE2 3.47Å; T168-E171 PolarHBondContact N-OE2 3.45Å; T168-E171 PolarHBondContact O-N 3.33Å; T168-E171 VanDerWaalsContact O-N 3.07Å; T168-E171 WeakPolarHBondContact OG1-CG 3.33Å; T168-E171 PolarHBondContact OG1-N 2.92Å; T168-E171 PolarHBondContact OG1-OE2 3.27Å; T168-A172 WeakPolarHBondContact O-CB 3.31Å; T168-A172 PolarHBondContact O-N 3.49Å; T168-N200 VanDerWaalsContact CA-OD1 3.3Å; T168-N200 WeakPolarHBondContact CA-OD1 3.32Å
169	G	86.4	Confident	87	Confident	24 Å²	24	71.9 Å²	71.9	25%	0.247	36%	0.359	C	S	.	.	H	α-helix	trans	-51.8	-25.3	175.4	0	0	0	0	0	115.7	R173 G199	G169-R173 WeakPolarHBondContact O-CB 3.49Å; G169-R173 PolarHBondContact O-N 2.82Å; G169-G199 WeakPolarHBondContact CA-O 3.45Å; G169-G199 PolarHBondContact N-O 3.4Å
170	V	88.4	Confident	86.9	Confident	120 Å²	120	72.3 Å²	72.3	73%	0.727	38%	0.379	S	S	*	.	H	α-helix	trans	-82.3	-49.1	175.1	-177.5	0	0	0	0	111.1	T168 R173 S174	T168-V170 PolarHBondContact O-N 3.14Å; V170-R173 PolarHBondContact O-N 3.48Å; V170-S174 PolarHBondContact O-N 3.2Å; V170-S174 VanDerWaalsContact O-N 3.08Å
171	E	89.5	Confident	86.7	Confident	62 Å²	62	73.2 Å²	73.2	29%	0.29	38%	0.384	S	S	.	.	H	α-helix	trans	-63.8	-48.6	-178.3	-66.9	160.2	141.7	0	0	111.1	R164 L167 T168 S174 I175	R164-E171 IonicContact CZ-OE1 2.79Å; R164-E171 VanDerWaalsContact CZ-OE1 3.25Å; R164-E171 IonicContact CZ-OE2 3.56Å; R164-E171 IonicContact NH1-OE1 2.69Å; R164-E171 PolarHBondContact NH1-OE1 3.26Å; R164-E171 IonicContact NH1-OE2 3.49Å; R164-E171 PolarHBondContact NH1-OE2 3.24Å; R164-E171 VanDerWaalsContact NH2-CD 3.27Å; R164-E171 IonicContact NH2-OE1 3.33Å; R164-E171 PolarHBondContact NH2-OE1 2.79Å; R164-E171 IonicContact NH2-OE2 3.46Å; R164-E171 PolarHBondContact NH2-OE2 3.2Å; L167-E171 HydrophobicContact CD2-CB 4.45Å; T168-E171 WeakPolarHBondContact CB-OE2 3.34Å; T168-E171 WeakPolarHBondContact CG2-OE2 3.47Å; T168-E171 PolarHBondContact N-OE2 3.45Å; T168-E171 PolarHBondContact O-N 3.33Å; T168-E171 VanDerWaalsContact O-N 3.07Å; T168-E171 WeakPolarHBondContact OG1-CG 3.33Å; T168-E171 PolarHBondContact OG1-N 2.92Å; T168-E171 PolarHBondContact OG1-OE2 3.27Å; E171-S174 WeakPolarHBondContact O-CB 3.45Å; E171-S174 PolarHBondContact O-N 3.32Å; E171-I175 WeakPolarHBondContact O-CG1 3.46Å; E171-I175 PolarHBondContact O-N 2.95Å
172	A	89	Confident	86.9	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-65.8	-38.8	178.5	0	0	0	0	0	112.1	L167 T168 S174 I175 L176 W190 L201	L167-A172 HydrophobicContact CB-CB 4.05Å; T168-A172 WeakPolarHBondContact O-CB 3.31Å; T168-A172 PolarHBondContact O-N 3.49Å; A172-S174 VanDerWaalsContact C-N 3.27Å; A172-S174 PolarHBondContact O-N 2.86Å; A172-I175 PolarHBondContact O-N 2.94Å; A172-L176 VanDerWaalsContact O-CG 3.28Å; A172-L176 WeakPolarHBondContact O-CG 3.43Å; A172-L176 PolarHBondContact O-N 3.4Å; A172-W190 HydrophobicContact CB-CH2 3.71Å; A172-W190 HydrophobicContact CB-CZ3 3.56Å; A172-L201 HydrophobicContact CB-CD1 4.1Å
173	R	86.7	Confident	87.1	Confident	144 Å²	144	65.9 Å²	65.9	54%	0.543	37%	0.365	S	S	.	.	H	α-helix	trans	-58.1	-39.9	172.6	-179.9	-178.5	-62.6	-95.9	-1.7	112	G169 V170 I175 S177	G169-R173 WeakPolarHBondContact O-CB 3.49Å; G169-R173 PolarHBondContact O-N 2.82Å; V170-R173 PolarHBondContact O-N 3.48Å; R173-I175 PolarHBondContact O-N 3.41Å; R173-S177 VanDerWaalsContact O-CB 3.22Å; R173-S177 WeakPolarHBondContact O-CB 3.18Å; R173-S177 PolarHBondContact O-N 2.94Å
174	S	86.5	Confident	87.4	Confident	78 Å²	78	61.5 Å²	61.5	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-64.8	-22.1	176.3	-163.3	0	0	0	0	113.6	V170 E171 A172 Q178	V170-S174 PolarHBondContact O-N 3.2Å; V170-S174 VanDerWaalsContact O-N 3.08Å; E171-S174 WeakPolarHBondContact O-CB 3.45Å; E171-S174 PolarHBondContact O-N 3.32Å; A172-S174 VanDerWaalsContact C-N 3.27Å; A172-S174 PolarHBondContact O-N 2.86Å; S174-Q178 WeakPolarHBondContact O-CG 3.34Å; S174-Q178 PolarHBondContact O-NE2 3.44Å
175	I	89	Confident	87.5	Confident	5 Å²	5	60.6 Å²	60.6	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-87.9	-53.8	174.6	-56.2	161.4	0	0	0	110.3	H159 L167 E171 A172 R173 S177 Q178 Y179 F206	H159-I175 HydrophobicContact CB-CD1 3.47Å; H159-I175 VanDerWaalsContact CB-CD1 3.47Å; H159-I175 HydrophobicContact CB-CG1 4.39Å; L167-I175 HydrophobicContact CD1-CD1 3.76Å; E171-I175 WeakPolarHBondContact O-CG1 3.46Å; E171-I175 PolarHBondContact O-N 2.95Å; A172-I175 PolarHBondContact O-N 2.94Å; R173-I175 PolarHBondContact O-N 3.41Å; I175-S177 PolarHBondContact O-N 2.86Å; I175-Q178 WeakPolarHBondContact O-CB 3.25Å; I175-Q178 PolarHBondContact O-N 2.8Å; I175-Y179 HydrophobicContact CG2-CE2 4.43Å; I175-Y179 WeakPolarHBondContact O-CD2 3.42Å; I175-F206 HydrophobicContact CD1-CE2 4.03Å; I175-F206 HydrophobicContact CD1-CZ 4.39Å; I175-F206 HydrophobicContact CG2-CE2 4.2Å; I175-F206 HydrophobicContact CG2-CZ 4.06Å
176	L	88.6	Confident	87.6	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-30	-176.6	-59.5	173.2	0	0	0	111.8	A172 Q178 Y179 L186 W190 L201 A209 I210 I213	A172-L176 VanDerWaalsContact O-CG 3.28Å; A172-L176 WeakPolarHBondContact O-CG 3.43Å; A172-L176 PolarHBondContact O-N 3.4Å; L176-Q178 VanDerWaalsContact C-N 3.29Å; L176-Q178 PolarHBondContact O-N 3.05Å; L176-Y179 PolarHBondContact O-N 3.18Å; L176-L186 HydrophobicContact CB-CD2 4.21Å; L176-W190 HydrophobicContact CD1-CE3 3.92Å; L176-W190 HydrophobicContact CD1-CZ3 4.04Å; L176-L201 HydrophobicContact CD1-CD1 4.3Å; L176-A209 HydrophobicContact CD2-CB 4.05Å; L176-I210 HydrophobicContact CD2-CD1 3.68Å; L176-I213 HydrophobicContact CB-CD1 3.93Å; L176-I213 HydrophobicContact CD2-CD1 3.47Å; L176-I213 VanDerWaalsContact CD2-CD1 3.47Å; L176-I213 HydrophobicContact CG-CD1 4.24Å
177	S	87.4	Confident	87.5	Confident	63 Å²	63	57.7 Å²	57.7	44%	0.441	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-70	-17.6	175.2	-168.3	0	0	0	0	114.7	R173 I175 Y179 G180	R173-S177 VanDerWaalsContact O-CB 3.22Å; R173-S177 WeakPolarHBondContact O-CB 3.18Å; R173-S177 PolarHBondContact O-N 2.94Å; I175-S177 PolarHBondContact O-N 2.86Å; S177-Y179 PolarHBondContact O-N 3.49Å; S177-G180 PolarHBondContact O-N 2.9Å
178	Q	87.1	Confident	87.4	Confident	137 Å²	137	60.5 Å²	60.5	64%	0.64	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-71.9	-15.6	177.7	-62.7	172.1	38.1	0	0	112.2	S174 I175 L176 G180	S174-Q178 WeakPolarHBondContact O-CG 3.34Å; S174-Q178 PolarHBondContact O-NE2 3.44Å; I175-Q178 WeakPolarHBondContact O-CB 3.25Å; I175-Q178 PolarHBondContact O-N 2.8Å; L176-Q178 VanDerWaalsContact C-N 3.29Å; L176-Q178 PolarHBondContact O-N 3.05Å; Q178-G180 VanDerWaalsContact C-N 3.26Å; Q178-G180 PolarHBondContact O-N 2.82Å
179	Y	87	Confident	87.3	Confident	43 Å²	43	58.8 Å²	58.8	17%	0.169	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-83	4.8	179.5	-69.3	-98.6	0	0	0	113.7	F102 L155 I175 L176 S177 L181 I210 I213 I217	F102-Y179 HydrophobicContact CE1-CD1 4.27Å; F102-Y179 AromaticContact CE1-CE1 3.79Å; F102-Y179 HydrophobicContact CE1-CE1 3.79Å; F102-Y179 AromaticContact CZ-CD1 3.85Å; F102-Y179 HydrophobicContact CZ-CD1 3.85Å; F102-Y179 AromaticContact CZ-CE1 3.7Å; F102-Y179 HydrophobicContact CZ-CE1 3.7Å; L155-Y179 WeakPolarHBondContact CD2-OH 3.38Å; I175-Y179 HydrophobicContact CG2-CE2 4.43Å; I175-Y179 WeakPolarHBondContact O-CD2 3.42Å; L176-Y179 PolarHBondContact O-N 3.18Å; S177-Y179 PolarHBondContact O-N 3.49Å; Y179-L181 PolarHBondContact O-N 2.88Å; Y179-L181 VanDerWaalsContact O-N 3.07Å; Y179-I210 HydrophobicContact CE2-CD1 3.96Å; Y179-I213 HydrophobicContact CD1-CG2 3.41Å; Y179-I213 VanDerWaalsContact CD1-CG2 3.41Å; Y179-I213 HydrophobicContact CD2-CD1 4.27Å; Y179-I213 HydrophobicContact CD2-CG2 4.48Å; Y179-I213 HydrophobicContact CE1-CG2 4.11Å; Y179-I213 HydrophobicContact CG-CD1 4.27Å; Y179-I213 HydrophobicContact CG-CG2 3.63Å; Y179-I217 HydrophobicContact CD1-CD1 4.05Å
180	G	84.6	Confident	87.4	Confident	66 Å²	66	59 Å²	59	68%	0.68	34%	0.336	S	S	*	.			trans	71.1	0	171.3	0	0	0	0	0	116.6	S177 Q178	S177-G180 PolarHBondContact O-N 2.9Å; Q178-G180 VanDerWaalsContact C-N 3.26Å; Q178-G180 PolarHBondContact O-N 2.82Å
181	L	85.7	Confident	87.3	Confident	27 Å²	27	59 Å²	59	14%	0.141	33%	0.332	C	S	.	.			trans	-70.9	140.4	179.1	-68.2	175.7	0	0	0	111.8	Y179 I185 L186 I189 I213 A216 I217	Y179-L181 PolarHBondContact O-N 2.88Å; Y179-L181 VanDerWaalsContact O-N 3.07Å; L181-I185 HydrophobicContact CB-CG2 4.38Å; L181-I185 HydrophobicContact CD1-CG2 4.22Å; L181-L186 HydrophobicContact CB-CD2 3.83Å; L181-L186 HydrophobicContact CB-CG 3.98Å; L181-L186 HydrophobicContact CD1-CD2 4.21Å; L181-L186 VanDerWaalsContact O-CD1 3.31Å; L181-L186 WeakPolarHBondContact O-CD1 3.39Å; L181-I189 HydrophobicContact CD1-CD1 3.95Å; L181-I213 HydrophobicContact CD1-CB 4.24Å; L181-I213 HydrophobicContact CD1-CG1 3.96Å; L181-I213 HydrophobicContact CD1-CG2 3.97Å; L181-A216 HydrophobicContact CD1-CB 3.98Å; L181-A216 HydrophobicContact CD2-CB 4.44Å; L181-I217 HydrophobicContact CD1-CG1 4.32Å; L181-I217 HydrophobicContact CD2-CG1 4.01Å; L181-I217 HydrophobicContact CG-CG1 4.19Å
182	P	85.6	Confident	87.2	Confident	74 Å²	74	56.7 Å²	56.7	48%	0.481	32%	0.321	S	S	.	.			trans	-53.7	142.4	175.1	-29.2	34.6	0	0	0	114.2	P184 I185 L186	P182-P184 VanDerWaalsContact C-CD 3.4Å; P182-P184 VanDerWaalsContact C-N 3.32Å; P182-P184 VanDerWaalsContact O-N 3.13Å; P182-I185 HydrophobicContact CB-CD1 4.5Å; P182-I185 HydrophobicContact CG-CD1 4.28Å; P182-I185 WeakPolarHBondContact O-CA 3.42Å; P182-I185 WeakPolarHBondContact O-CB 3.25Å; P182-I185 PolarHBondContact O-N 2.84Å; P182-L186 PolarHBondContact O-N 3.02Å
183	N	85.8	Confident	87.2	Confident	108 Å²	108	56.7 Å²	56.7	58%	0.578	32%	0.321	S	S	*	.	H	α-helix	trans	-47.4	-40.2	179.2	-80	-35.6	0	0	0	115.5	I185 L186 A187	N183-I185 VanDerWaalsContact C-N 3.34Å; N183-I185 PolarHBondContact O-N 3.49Å; N183-L186 PolarHBondContact O-N 3.19Å; N183-A187 WeakPolarHBondContact O-CB 3.41Å; N183-A187 PolarHBondContact O-N 3.08Å
184	P	88.4	Confident	87.3	Confident	99 Å²	99	50.5 Å²	50.5	64%	0.643	30%	0.299	S	S	*	.	H	α-helix	trans	-64.3	-36.4	175.6	-23.1	35.1	0	0	0	113.4	P182 A187 H188	P182-P184 VanDerWaalsContact C-CD 3.4Å; P182-P184 VanDerWaalsContact C-N 3.32Å; P182-P184 VanDerWaalsContact O-N 3.13Å; P184-A187 PolarHBondContact O-N 3Å; P184-H188 PolarHBondContact O-N 2.86Å
185	I	86.8	Confident	87.2	Confident	66 Å²	66	50 Å²	50	34%	0.338	29%	0.29	S	S	.	.	H	α-helix	trans	-71.3	-43.2	178.8	-65.3	-179.2	0	0	0	109.8	L181 P182 N183 A187 H188 I189 L222	L181-I185 HydrophobicContact CB-CG2 4.38Å; L181-I185 HydrophobicContact CD1-CG2 4.22Å; P182-I185 HydrophobicContact CB-CD1 4.5Å; P182-I185 HydrophobicContact CG-CD1 4.28Å; P182-I185 WeakPolarHBondContact O-CA 3.42Å; P182-I185 WeakPolarHBondContact O-CB 3.25Å; P182-I185 PolarHBondContact O-N 2.84Å; N183-I185 VanDerWaalsContact C-N 3.34Å; N183-I185 PolarHBondContact O-N 3.49Å; I185-A187 VanDerWaalsContact C-N 3.31Å; I185-A187 PolarHBondContact O-N 2.8Å; I185-H188 PolarHBondContact O-N 2.66Å; I185-I189 HydrophobicContact CG2-CD1 4.18Å; I185-I189 WeakPolarHBondContact O-CG1 3.3Å; I185-I189 PolarHBondContact O-N 3.19Å; I185-L222 HydrophobicContact CG2-CD1 3.7Å
186	L	89.3	Confident	87	Confident	15 Å²	15	53.5 Å²	53.5	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-36.8	173.7	-67.8	178.8	0	0	0	112.6	L176 L181 P182 N183 I189 W190 I213	L176-L186 HydrophobicContact CB-CD2 4.21Å; L181-L186 HydrophobicContact CB-CD2 3.83Å; L181-L186 HydrophobicContact CB-CG 3.98Å; L181-L186 HydrophobicContact CD1-CD2 4.21Å; L181-L186 VanDerWaalsContact O-CD1 3.31Å; L181-L186 WeakPolarHBondContact O-CD1 3.39Å; P182-L186 PolarHBondContact O-N 3.02Å; N183-L186 PolarHBondContact O-N 3.19Å; L186-I189 PolarHBondContact O-N 2.76Å; L186-W190 PolarHBondContact O-N 3.04Å; L186-I213 HydrophobicContact CD2-CD1 3.88Å; L186-I213 HydrophobicContact CD2-CG1 4.4Å
187	A	87.3	Confident	86.9	Confident	40 Å²	40	61.8 Å²	61.8	33%	0.331	35%	0.345	S	S	.	.	H	α-helix	trans	-67.4	-37.9	174.2	0	0	0	0	0	112.5	N183 P184 I185 W190 N191	N183-A187 WeakPolarHBondContact O-CB 3.41Å; N183-A187 PolarHBondContact O-N 3.08Å; P184-A187 PolarHBondContact O-N 3Å; I185-A187 VanDerWaalsContact C-N 3.31Å; I185-A187 PolarHBondContact O-N 2.8Å; A187-W190 WeakPolarHBondContact O-CB 3.34Å; A187-W190 PolarHBondContact O-N 3.32Å; A187-N191 VanDerWaalsContact O-CG 3.25Å; A187-N191 PolarHBondContact O-N 3.05Å; A187-N191 VanDerWaalsContact O-N 3.11Å; A187-N191 PolarHBondContact O-ND2 3.44Å
188	H	87.3	Confident	86.9	Confident	59 Å²	59	63 Å²	63	27%	0.273	35%	0.346	S	S	.	.	H	α-helix	trans	-65.3	-44.5	173.7	-168.9	71.8	0	0	0	111.8	P184 I185 W190 N191 L192 P223	P184-H188 PolarHBondContact O-N 2.86Å; I185-H188 PolarHBondContact O-N 2.66Å; H188-W190 VanDerWaalsContact C-N 3.32Å; H188-W190 PolarHBondContact O-N 2.93Å; H188-N191 PolarHBondContact O-N 3Å; H188-L192 WeakPolarHBondContact O-CG 3.17Å; H188-L192 PolarHBondContact O-N 3.11Å; H188-P223 PolarHBondContact NE2-O 2.74Å
189	I	87.8	Confident	86.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60.1	-41.4	174.3	-67.2	173.8	0	0	0	111.2	L181 I185 L186 N191 L192 A193 A209 L212 I213 A216 L222	L181-I189 HydrophobicContact CD1-CD1 3.95Å; I185-I189 HydrophobicContact CG2-CD1 4.18Å; I185-I189 WeakPolarHBondContact O-CG1 3.3Å; I185-I189 PolarHBondContact O-N 3.19Å; L186-I189 PolarHBondContact O-N 2.76Å; I189-N191 PolarHBondContact O-N 3.22Å; I189-L192 PolarHBondContact O-N 2.99Å; I189-A193 WeakPolarHBondContact O-CB 3.37Å; I189-A193 PolarHBondContact O-N 3.41Å; I189-A209 HydrophobicContact CG2-CB 4.34Å; I189-L212 HydrophobicContact CD1-CB 4.47Å; I189-L212 HydrophobicContact CG1-CB 4.2Å; I189-L212 HydrophobicContact CG2-CB 3.86Å; I189-L212 HydrophobicContact CG2-CD1 4.27Å; I189-I213 HydrophobicContact CD1-CB 4.45Å; I189-I213 HydrophobicContact CD1-CG1 3.6Å; I189-I213 HydrophobicContact CG2-CG1 4.27Å; I189-A216 HydrophobicContact CD1-CB 4.31Å; I189-L222 HydrophobicContact CD1-CD1 3.94Å; I189-L222 HydrophobicContact CD1-CD2 4.24Å; I189-L222 HydrophobicContact CG1-CD1 3.58Å; I189-L222 HydrophobicContact CG1-CD2 3.89Å; I189-L222 HydrophobicContact CG1-CG 4.41Å
190	W	87.9	Confident	87	Confident	30 Å²	30	57.9 Å²	57.9	11%	0.114	33%	0.333	C	S	.	.	H	α-helix	trans	-56.3	-50.6	174.8	-170	-76.2	0	0	0	111.7	A172 L176 L186 A187 H188 L192 A193 D194 L201	A172-W190 HydrophobicContact CB-CH2 3.71Å; A172-W190 HydrophobicContact CB-CZ3 3.56Å; L176-W190 HydrophobicContact CD1-CE3 3.92Å; L176-W190 HydrophobicContact CD1-CZ3 4.04Å; L186-W190 PolarHBondContact O-N 3.04Å; A187-W190 WeakPolarHBondContact O-CB 3.34Å; A187-W190 PolarHBondContact O-N 3.32Å; H188-W190 VanDerWaalsContact C-N 3.32Å; H188-W190 PolarHBondContact O-N 2.93Å; W190-L192 PolarHBondContact O-N 3.43Å; W190-A193 PolarHBondContact O-N 3.45Å; W190-D194 PolarHBondContact NE1-OD2 3.36Å; W190-D194 WeakPolarHBondContact O-CB 3.31Å; W190-D194 PolarHBondContact O-N 2.9Å; W190-L201 HydrophobicContact CE3-CD1 4.1Å; W190-L201 HydrophobicContact CH2-CD1 3.76Å; W190-L201 HydrophobicContact CH2-CD2 4.48Å; W190-L201 HydrophobicContact CH2-CG 3.61Å; W190-L201 HydrophobicContact CZ2-CD1 4.35Å; W190-L201 HydrophobicContact CZ2-CD2 4.28Å; W190-L201 HydrophobicContact CZ2-CG 3.84Å; W190-L201 HydrophobicContact CZ3-CD1 3.64Å; W190-L201 HydrophobicContact CZ3-CG 4.04Å
191	N	87.1	Confident	87.2	Confident	119 Å²	119	54.8 Å²	54.8	64%	0.636	30%	0.3	S	S	*	.	H	α-helix	trans	-64.9	-19.5	-177.9	-67.1	-23.6	0	0	0	114	A187 H188 I189	A187-N191 VanDerWaalsContact O-CG 3.25Å; A187-N191 PolarHBondContact O-N 3.05Å; A187-N191 VanDerWaalsContact O-N 3.11Å; A187-N191 PolarHBondContact O-ND2 3.44Å; H188-N191 PolarHBondContact O-N 3Å; I189-N191 PolarHBondContact O-N 3.22Å
192	L	87.3	Confident	87.4	Confident	13 Å²	13	56.1 Å²	56.1	7%	0.068	31%	0.308	C	S	.	.	H	α-helix	trans	-87.9	-29.9	173	-66.8	169.8	0	0	0	112.8	H188 I189 W190 L212 P223 L226	H188-L192 WeakPolarHBondContact O-CG 3.17Å; H188-L192 PolarHBondContact O-N 3.11Å; I189-L192 PolarHBondContact O-N 2.99Å; W190-L192 PolarHBondContact O-N 3.43Å; L192-L212 HydrophobicContact CB-CD1 3.63Å; L192-L212 HydrophobicContact CD1-CD1 3.97Å; L192-L212 HydrophobicContact CG-CD1 4.49Å; L192-P223 WeakPolarHBondContact CD1-O 3.31Å; L192-L226 HydrophobicContact CB-CD1 4.27Å
193	A	88.5	Confident	87.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-91.4	-33.1	-174.8	0	0	0	0	0	113.7	I189 W190 L195 L201 E205 I208 A209	I189-A193 WeakPolarHBondContact O-CB 3.37Å; I189-A193 PolarHBondContact O-N 3.41Å; W190-A193 PolarHBondContact O-N 3.45Å; A193-L195 PolarHBondContact O-N 2.98Å; A193-L201 HydrophobicContact CB-CD2 4.01Å; A193-E205 VanDerWaalsContact O-CB 3.26Å; A193-E205 WeakPolarHBondContact O-CB 3.47Å; A193-E205 VanDerWaalsContact O-CG 3.29Å; A193-E205 WeakPolarHBondContact O-CG 3.47Å; A193-I208 HydrophobicContact CB-CB 4.47Å; A193-I208 HydrophobicContact CB-CG2 4.21Å; A193-A209 HydrophobicContact CB-CB 3.73Å
194	D	88.8	Confident	87.8	Confident	14 Å²	14	49.8 Å²	49.8	8%	0.075	27%	0.271	C	S	.	.			trans	-76.3	70.9	176.9	-169.2	-10.3	0	0	0	110.4	W190 N196 K197 N198 G199 L201	W190-D194 PolarHBondContact NE1-OD2 3.36Å; W190-D194 WeakPolarHBondContact O-CB 3.31Å; W190-D194 PolarHBondContact O-N 2.9Å; D194-N196 PolarHBondContact O-N 2.66Å; D194-K197 PolarHBondContact O-N 2.82Å; D194-K197 WeakPolarHBondContact OD1-CA 3.37Å; D194-K197 PolarHBondContact OD1-N 3.45Å; D194-N198 PolarHBondContact OD1-N 3.11Å; D194-G199 VanDerWaalsContact OD2-CA 3.31Å; D194-G199 WeakPolarHBondContact OD2-CA 3.41Å; D194-G199 PolarHBondContact OD2-N 2.87Å; D194-G199 VanDerWaalsContact OD2-N 3.1Å; D194-L201 HydrophobicContact CB-CD2 4.07Å
195	L	84.7	Confident	87.9	Confident	69 Å²	69	45.4 Å²	45.4	36%	0.361	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.6	-174.2	-69.8	175.5	0	0	0	112.9	A193 E205 I208 L226 L231 P232	A193-L195 PolarHBondContact O-N 2.98Å; L195-E205 HydrophobicContact CB-CG 4.4Å; L195-E205 HydrophobicContact CD1-CG 4.27Å; L195-E205 HydrophobicContact CG-CG 4.32Å; L195-I208 HydrophobicContact CD1-CD1 3.89Å; L195-I208 HydrophobicContact CG-CD1 4.43Å; L195-L226 HydrophobicContact CD2-CD2 3.63Å; L195-L231 HydrophobicContact CD1-CD2 4.3Å; L195-L231 HydrophobicContact CD2-CD2 3.84Å; L195-P232 HydrophobicContact CD1-CG 4.47Å
196	N	84.9	Confident	88.2	Confident	77 Å²	77	42.2 Å²	42.2	41%	0.412	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-12.2	-174.6	78	70.2	0	0	0	113.5	D194 N198 E205	D194-N196 PolarHBondContact O-N 2.66Å; N196-N198 PolarHBondContact O-N 3.12Å; N196-N198 WeakPolarHBondContact OD1-CB 3.42Å; N196-N198 PolarHBondContact OD1-N 3.43Å; N196-N198 PolarHBondContact OD1-ND2 2.85Å; N196-N198 PolarHBondContact OD1-OD1 2.84Å; N196-E205 VanDerWaalsContact ND2-CD 3.31Å; N196-E205 PolarHBondContact ND2-OE1 3.15Å; N196-E205 PolarHBondContact ND2-OE2 3.47Å; N196-E205 VanDerWaalsContact ND2-OE2 3.16Å
197	K	84.8	Confident	88.3	Confident	179 Å²	179	41.5 Å²	41.5	78%	0.778	22%	0.222	S	C	*	.			trans	62.9	29.8	178.7	-56	-175.5	179.2	-178.2	0	115.4	D194	D194-K197 PolarHBondContact O-N 2.82Å; D194-K197 WeakPolarHBondContact OD1-CA 3.37Å; D194-K197 PolarHBondContact OD1-N 3.45Å
198	N	87.5	Confident	88.4	Confident	89 Å²	89	39.7 Å²	39.7	48%	0.476	21%	0.207	S	C	.	.	S	Bend	trans	-87.1	-5.5	174.9	72.5	8.1	0	0	0	114.1	D194 N196 N200	D194-N198 PolarHBondContact OD1-N 3.11Å; N196-N198 PolarHBondContact O-N 3.12Å; N196-N198 WeakPolarHBondContact OD1-CB 3.42Å; N196-N198 PolarHBondContact OD1-N 3.43Å; N196-N198 PolarHBondContact OD1-ND2 2.85Å; N196-N198 PolarHBondContact OD1-OD1 2.84Å; N198-N200 VanDerWaalsContact C-N 3.34Å; N198-N200 WeakPolarHBondContact OD1-CA 3.4Å; N198-N200 WeakPolarHBondContact OD1-CB 3.47Å; N198-N200 PolarHBondContact OD1-N 3.35Å; N198-N200 PolarHBondContact OD1-O 3.12Å
199	G	85.8	Confident	88.6	Confident	27 Å²	27	36.9 Å²	36.9	28%	0.278	19%	0.194	S	C	.	.	S	Bend	trans	79.2	9.9	-178.2	0	0	0	0	0	115.2	G169 D194	G169-G199 WeakPolarHBondContact CA-O 3.45Å; G169-G199 PolarHBondContact N-O 3.4Å; D194-G199 VanDerWaalsContact OD2-CA 3.31Å; D194-G199 WeakPolarHBondContact OD2-CA 3.41Å; D194-G199 PolarHBondContact OD2-N 2.87Å; D194-G199 VanDerWaalsContact OD2-N 3.1Å
200	N	90.3	Very high	88.8	Confident	45 Å²	45	37 Å²	37	24%	0.241	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	107.9	-178.5	-62.8	-33.5	0	0	0	110.4	F166 L167 T168 N198 N202	F166-N200 HydrophobicContact CB-CB 4.34Å; F166-N200 HydrophobicContact CD2-CB 3.73Å; F166-N200 HydrophobicContact CE2-CB 4.41Å; F166-N200 HydrophobicContact CG-CB 4.28Å; L167-N200 CarbonylContact O-C 3.5Å; L167-N200 VanDerWaalsContact O-CA 3.23Å; L167-N200 WeakPolarHBondContact O-CA 3.45Å; T168-N200 VanDerWaalsContact CA-OD1 3.3Å; T168-N200 WeakPolarHBondContact CA-OD1 3.32Å; N198-N200 VanDerWaalsContact C-N 3.34Å; N198-N200 WeakPolarHBondContact OD1-CA 3.4Å; N198-N200 WeakPolarHBondContact OD1-CB 3.47Å; N198-N200 PolarHBondContact OD1-N 3.35Å; N198-N200 PolarHBondContact OD1-O 3.12Å; N200-N202 PolarHBondContact O-N 2.99Å
201	L	88.9	Confident	88.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	118.9	179.5	-62.2	173.9	0	0	0	110.6	F166 L167 A172 L176 W190 A193 D194 E205 F206 A209	F166-L201 WeakPolarHBondContact CA-O 3.35Å; L167-L201 PolarHBondContact N-O 2.87Å; L167-L201 PolarHBondContact O-N 2.94Å; A172-L201 HydrophobicContact CB-CD1 4.1Å; L176-L201 HydrophobicContact CD1-CD1 4.3Å; W190-L201 HydrophobicContact CE3-CD1 4.1Å; W190-L201 HydrophobicContact CH2-CD1 3.76Å; W190-L201 HydrophobicContact CH2-CD2 4.48Å; W190-L201 HydrophobicContact CH2-CG 3.61Å; W190-L201 HydrophobicContact CZ2-CD1 4.35Å; W190-L201 HydrophobicContact CZ2-CD2 4.28Å; W190-L201 HydrophobicContact CZ2-CG 3.84Å; W190-L201 HydrophobicContact CZ3-CD1 3.64Å; W190-L201 HydrophobicContact CZ3-CG 4.04Å; A193-L201 HydrophobicContact CB-CD2 4.01Å; D194-L201 HydrophobicContact CB-CD2 4.07Å; L201-E205 HydrophobicContact CB-CB 4.22Å; L201-E205 HydrophobicContact CD2-CB 3.85Å; L201-F206 HydrophobicContact CB-CB 4.38Å; L201-A209 HydrophobicContact CD1-CB 4.1Å
202	N	91.2	Very high	88.9	Confident	56 Å²	56	30.6 Å²	30.6	30%	0.299	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	173.9	167.1	80.5	53.3	0	0	0	111.5	N200 D204 E205 F206	N200-N202 PolarHBondContact O-N 2.99Å; N202-D204 VanDerWaalsContact C-N 3.28Å; N202-D204 PolarHBondContact O-N 3.4Å; N202-D204 WeakPolarHBondContact OD1-CB 3.27Å; N202-D204 PolarHBondContact OD1-N 2.65Å; N202-E205 PolarHBondContact N-OE2 2.93Å; N202-E205 WeakPolarHBondContact ND2-CG 3.14Å; N202-E205 PolarHBondContact ND2-OE1 3.28Å; N202-E205 PolarHBondContact ND2-OE2 3.47Å; N202-E205 PolarHBondContact O-N 3.01Å; N202-E205 PolarHBondContact OD1-N 2.82Å; N202-F206 WeakPolarHBondContact O-CB 3.41Å; N202-F206 PolarHBondContact O-N 3.33Å
203	C	89.8	Confident	89	Confident	19 Å²	19	30 Å²	30	13%	0.128	16%	0.158	C	C	.	.	H	α-helix	trans	-56.7	-34.7	-175.7	-167.7	0	0	0	0	114.5	R153 F156 C207	R153-C203 PolarHBondContact NH1-SG 3.18Å; R153-C203 VanDerWaalsContact NH1-SG 3.42Å; F156-C203 HydrophobicContact CD1-CB 3.86Å; F156-C203 VanDerWaalsContact CD1-SG 3.55Å; F156-C203 HydrophobicContact CD2-CB 4.4Å; F156-C203 HydrophobicContact CE1-CB 3.74Å; F156-C203 HydrophobicContact CE2-CB 4.28Å; F156-C203 HydrophobicContact CG-CB 4.2Å; F156-C203 HydrophobicContact CZ-CB 3.96Å; C203-C207 PolarHBondContact O-N 2.94Å; C203-C207 PolarHBondContact O-SG 2.98Å
204	D	89	Confident	88.9	Confident	30 Å²	30	31.9 Å²	31.9	16%	0.16	17%	0.167	C	C	.	.	H	α-helix	trans	-80	-40.9	176.4	-82.9	-65.6	0	0	0	112.8	R149 R153 N202 F206 C207 I208 P232	R149-D204 IonicContact CZ-OD1 2.65Å; R149-D204 IonicContact NH1-OD1 2.69Å; R149-D204 PolarHBondContact NH1-OD1 3.45Å; R149-D204 IonicContact NH2-OD1 3.92Å; R149-D204 PolarHBondContact NH2-OD1 3.29Å; R153-D204 IonicContact CZ-OD1 3.67Å; R153-D204 IonicContact CZ-OD2 2.93Å; R153-D204 IonicContact NH2-OD1 2.72Å; R153-D204 PolarHBondContact NH2-OD1 3.13Å; R153-D204 IonicContact NH2-OD2 3.44Å; R153-D204 PolarHBondContact NH2-OD2 2.81Å; N202-D204 VanDerWaalsContact C-N 3.28Å; N202-D204 PolarHBondContact O-N 3.4Å; N202-D204 WeakPolarHBondContact OD1-CB 3.27Å; N202-D204 PolarHBondContact OD1-N 2.65Å; D204-F206 VanDerWaalsContact C-N 3.29Å; D204-F206 PolarHBondContact O-N 2.85Å; D204-C207 WeakPolarHBondContact O-CA 3.32Å; D204-C207 VanDerWaalsContact O-CB 3.32Å; D204-C207 WeakPolarHBondContact O-CB 3.42Å; D204-C207 PolarHBondContact O-N 3.03Å; D204-C207 VanDerWaalsContact O-N 3.08Å; D204-I208 WeakPolarHBondContact O-CG1 3.47Å; D204-I208 PolarHBondContact O-N 2.77Å; D204-P232 HydrophobicContact CB-CB 4.42Å; D204-P232 HydrophobicContact CB-CG 3.73Å
205	E	91.8	Very high	88.7	Confident	6 Å²	6	32.7 Å²	32.7	3%	0.028	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-38.1	175.5	-67.9	169.3	159.6	0	0	111.2	A193 L195 N196 L201 N202 I208 A209	A193-E205 VanDerWaalsContact O-CB 3.26Å; A193-E205 WeakPolarHBondContact O-CB 3.47Å; A193-E205 VanDerWaalsContact O-CG 3.29Å; A193-E205 WeakPolarHBondContact O-CG 3.47Å; L195-E205 HydrophobicContact CB-CG 4.4Å; L195-E205 HydrophobicContact CD1-CG 4.27Å; L195-E205 HydrophobicContact CG-CG 4.32Å; N196-E205 VanDerWaalsContact ND2-CD 3.31Å; N196-E205 PolarHBondContact ND2-OE1 3.15Å; N196-E205 PolarHBondContact ND2-OE2 3.47Å; N196-E205 VanDerWaalsContact ND2-OE2 3.16Å; L201-E205 HydrophobicContact CB-CB 4.22Å; L201-E205 HydrophobicContact CD2-CB 3.85Å; N202-E205 PolarHBondContact N-OE2 2.93Å; N202-E205 WeakPolarHBondContact ND2-CG 3.14Å; N202-E205 PolarHBondContact ND2-OE1 3.28Å; N202-E205 PolarHBondContact ND2-OE2 3.47Å; N202-E205 PolarHBondContact O-N 3.01Å; N202-E205 PolarHBondContact OD1-N 2.82Å; E205-I208 WeakPolarHBondContact O-CB 3.3Å; E205-I208 PolarHBondContact O-N 3.29Å; E205-A209 PolarHBondContact O-N 2.96Å
206	F	92.4	Very high	88.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-38.7	171.2	-175.6	-94	0	0	0	112.5	L155 F156 L167 I175 L201 N202 D204 I208 A209 I210	L155-F206 HydrophobicContact CB-CE1 4.22Å; L155-F206 HydrophobicContact CD2-CE1 4.04Å; L155-F206 HydrophobicContact CD2-CZ 3.96Å; L155-F206 HydrophobicContact CG-CE1 4.07Å; L155-F206 HydrophobicContact CG-CZ 4.05Å; F156-F206 HydrophobicContact CB-CD1 3.71Å; F156-F206 HydrophobicContact CB-CE1 4.01Å; F156-F206 HydrophobicContact CB-CG 4.38Å; F156-F206 HydrophobicContact CD2-CB 3.69Å; F156-F206 AromaticContact CD2-CD1 3.98Å; F156-F206 HydrophobicContact CD2-CD1 3.98Å; F156-F206 HydrophobicContact CD2-CD2 4.38Å; F156-F206 AromaticContact CD2-CG 3.77Å; F156-F206 HydrophobicContact CD2-CG 3.77Å; F156-F206 HydrophobicContact CE2-CB 4.29Å; F156-F206 HydrophobicContact CG-CD1 4.35Å; L167-F206 HydrophobicContact CD1-CD2 3.73Å; L167-F206 HydrophobicContact CD1-CE2 3.8Å; L167-F206 HydrophobicContact CD1-CG 4.37Å; L167-F206 HydrophobicContact CD1-CZ 4.5Å; I175-F206 HydrophobicContact CD1-CE2 4.03Å; I175-F206 HydrophobicContact CD1-CZ 4.39Å; I175-F206 HydrophobicContact CG2-CE2 4.2Å; I175-F206 HydrophobicContact CG2-CZ 4.06Å; L201-F206 HydrophobicContact CB-CB 4.38Å; N202-F206 WeakPolarHBondContact O-CB 3.41Å; N202-F206 PolarHBondContact O-N 3.33Å; D204-F206 VanDerWaalsContact C-N 3.29Å; D204-F206 PolarHBondContact O-N 2.85Å; F206-I208 VanDerWaalsContact C-N 3.29Å; F206-I208 PolarHBondContact O-N 2.65Å; F206-A209 PolarHBondContact O-N 3.42Å; F206-I210 HydrophobicContact CD1-CG1 4.04Å; F206-I210 HydrophobicContact CE1-CD1 4.18Å; F206-I210 HydrophobicContact CE1-CG1 3.64Å; F206-I210 HydrophobicContact CE2-CD1 4.24Å; F206-I210 HydrophobicContact CE2-CG1 4.36Å; F206-I210 HydrophobicContact CZ-CD1 3.83Å; F206-I210 HydrophobicContact CZ-CG1 3.82Å; F206-I210 WeakPolarHBondContact O-CG1 3.49Å; F206-I210 PolarHBondContact O-N 2.78Å
207	C	91.1	Very high	88.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-35.7	173.3	-71	0	0	0	0	112.4	I144 Y152 R153 C203 D204 F211	I144-C207 HydrophobicContact CD1-CB 4.21Å; I144-C207 WeakPolarHBondContact CD1-O 3.35Å; Y152-C207 VanDerWaalsContact CB-SG 3.53Å; Y152-C207 HydrophobicContact CD2-CB 4.16Å; R153-C207 VanDerWaalsContact CG-SG 3.6Å; C203-C207 PolarHBondContact O-N 2.94Å; C203-C207 PolarHBondContact O-SG 2.98Å; D204-C207 WeakPolarHBondContact O-CA 3.32Å; D204-C207 VanDerWaalsContact O-CB 3.32Å; D204-C207 WeakPolarHBondContact O-CB 3.42Å; D204-C207 PolarHBondContact O-N 3.03Å; D204-C207 VanDerWaalsContact O-N 3.08Å; C207-F211 WeakPolarHBondContact O-CB 3.42Å; C207-F211 PolarHBondContact O-N 3.45Å; C207-F211 VanDerWaalsContact O-N 3.17Å
208	I	89.4	Confident	88.6	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-67.2	-46.2	173	-64	164.7	0	0	0	110.3	I144 A193 L195 D204 E205 F206 I210 F211 L212 L226 L230	I144-I208 HydrophobicContact CD1-CG1 4.35Å; A193-I208 HydrophobicContact CB-CB 4.47Å; A193-I208 HydrophobicContact CB-CG2 4.21Å; L195-I208 HydrophobicContact CD1-CD1 3.89Å; L195-I208 HydrophobicContact CG-CD1 4.43Å; D204-I208 WeakPolarHBondContact O-CG1 3.47Å; D204-I208 PolarHBondContact O-N 2.77Å; E205-I208 WeakPolarHBondContact O-CB 3.3Å; E205-I208 PolarHBondContact O-N 3.29Å; F206-I208 VanDerWaalsContact C-N 3.29Å; F206-I208 PolarHBondContact O-N 2.65Å; I208-I210 PolarHBondContact O-N 2.88Å; I208-F211 PolarHBondContact O-N 3.34Å; I208-L212 HydrophobicContact CG2-CD1 3.89Å; I208-L212 HydrophobicContact CG2-CG 4.37Å; I208-L212 WeakPolarHBondContact O-CG 3.48Å; I208-L212 PolarHBondContact O-N 2.9Å; I208-L226 HydrophobicContact CD1-CD2 4.3Å; I208-L226 HydrophobicContact CG2-CD1 3.67Å; I208-L226 HydrophobicContact CG2-CD2 4.21Å; I208-L230 WeakPolarHBondContact CD1-O 3.3Å; I208-L230 HydrophobicContact CG1-CB 4.48Å
209	A	91.5	Very high	88	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.4	-48	178.3	0	0	0	0	0	112.5	L176 I189 A193 L201 E205 F206 L212 I213	L176-A209 HydrophobicContact CD2-CB 4.05Å; I189-A209 HydrophobicContact CG2-CB 4.34Å; A193-A209 HydrophobicContact CB-CB 3.73Å; L201-A209 HydrophobicContact CD1-CB 4.1Å; E205-A209 PolarHBondContact O-N 2.96Å; F206-A209 PolarHBondContact O-N 3.42Å; A209-L212 PolarHBondContact O-N 3.4Å; A209-I213 WeakPolarHBondContact O-CG1 3.41Å; A209-I213 PolarHBondContact O-N 3.08Å
210	I	91.2	Very high	87.4	Confident	1 Å²	1	26 Å²	26	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-67.4	-38.7	179.6	-58.9	-60.6	0	0	0	111.7	Y152 L155 L176 Y179 F206 I208 L212 I213 E214	Y152-I210 HydrophobicContact CD1-CB 4.11Å; Y152-I210 HydrophobicContact CD1-CG2 3.5Å; Y152-I210 HydrophobicContact CE1-CB 4.4Å; Y152-I210 HydrophobicContact CE1-CG2 3.58Å; Y152-I210 HydrophobicContact CG-CB 4.27Å; Y152-I210 HydrophobicContact CG-CG2 4.17Å; L155-I210 HydrophobicContact CD2-CD1 4.16Å; L155-I210 HydrophobicContact CD2-CG1 4.37Å; L176-I210 HydrophobicContact CD2-CD1 3.68Å; Y179-I210 HydrophobicContact CE2-CD1 3.96Å; F206-I210 HydrophobicContact CD1-CG1 4.04Å; F206-I210 HydrophobicContact CE1-CD1 4.18Å; F206-I210 HydrophobicContact CE1-CG1 3.64Å; F206-I210 HydrophobicContact CE2-CD1 4.24Å; F206-I210 HydrophobicContact CE2-CG1 4.36Å; F206-I210 HydrophobicContact CZ-CD1 3.83Å; F206-I210 HydrophobicContact CZ-CG1 3.82Å; F206-I210 WeakPolarHBondContact O-CG1 3.49Å; F206-I210 PolarHBondContact O-N 2.78Å; I208-I210 PolarHBondContact O-N 2.88Å; I210-L212 PolarHBondContact O-N 2.83Å; I210-I213 PolarHBondContact O-N 3.36Å; I210-E214 PolarHBondContact O-N 2.84Å
211	F	89.5	Confident	86.3	Confident	15 Å²	15	32.7 Å²	32.7	7%	0.066	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-41.7	175.1	-179.5	-104.8	0	0	0	112.6	W142 I144 Y152 C207 I208 I213 E214 K215 L230	W142-F211 HydrophobicContact CE3-CE1 4.29Å; I144-F211 HydrophobicContact CD1-CB 4.08Å; I144-F211 HydrophobicContact CD1-CG 4.4Å; I144-F211 HydrophobicContact CG1-CB 3.76Å; I144-F211 HydrophobicContact CG1-CD1 4.03Å; I144-F211 HydrophobicContact CG1-CD2 3.81Å; I144-F211 HydrophobicContact CG1-CE2 4.4Å; I144-F211 HydrophobicContact CG1-CG 3.59Å; Y152-F211 HydrophobicContact CE2-CB 3.94Å; Y152-F211 HydrophobicContact CE2-CD2 4.42Å; C207-F211 WeakPolarHBondContact O-CB 3.42Å; C207-F211 PolarHBondContact O-N 3.45Å; C207-F211 VanDerWaalsContact O-N 3.17Å; I208-F211 PolarHBondContact O-N 3.34Å; F211-I213 VanDerWaalsContact C-N 3.34Å; F211-E214 PolarHBondContact O-N 3.09Å; F211-K215 HydrophobicContact CE1-CG 4.34Å; F211-K215 HydrophobicContact CZ-CG 4.33Å; F211-K215 PolarHBondContact O-N 3Å; F211-L230 HydrophobicContact CD1-CD1 4.15Å; F211-L230 HydrophobicContact CD1-CD2 3.91Å; F211-L230 HydrophobicContact CE1-CD1 4.24Å; F211-L230 HydrophobicContact CE1-CD2 3.9Å
212	L	89	Confident	85.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.8	-35.8	174.8	-69.8	172.9	0	0	0	112	W142 I189 L192 I208 A209 I210 A216 L222 L226	W142-L212 HydrophobicContact CZ3-CD2 4.09Å; I189-L212 HydrophobicContact CD1-CB 4.47Å; I189-L212 HydrophobicContact CG1-CB 4.2Å; I189-L212 HydrophobicContact CG2-CB 3.86Å; I189-L212 HydrophobicContact CG2-CD1 4.27Å; L192-L212 HydrophobicContact CB-CD1 3.63Å; L192-L212 HydrophobicContact CD1-CD1 3.97Å; L192-L212 HydrophobicContact CG-CD1 4.49Å; I208-L212 HydrophobicContact CG2-CD1 3.89Å; I208-L212 HydrophobicContact CG2-CG 4.37Å; I208-L212 WeakPolarHBondContact O-CG 3.48Å; I208-L212 PolarHBondContact O-N 2.9Å; A209-L212 PolarHBondContact O-N 3.4Å; I210-L212 PolarHBondContact O-N 2.83Å; L212-A216 WeakPolarHBondContact O-CB 3.34Å; L212-A216 PolarHBondContact O-N 3.48Å; L212-L222 HydrophobicContact CB-CD2 4.11Å; L212-L222 HydrophobicContact CD2-CD2 4.18Å; L212-L226 HydrophobicContact CD1-CD1 4.06Å
213	I	89	Confident	84.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-49.1	171.4	-74.2	-174.6	0	0	0	111.3	L176 Y179 L181 L186 I189 A209 I210 F211 K215 A216 I217	L176-I213 HydrophobicContact CB-CD1 3.93Å; L176-I213 HydrophobicContact CD2-CD1 3.47Å; L176-I213 VanDerWaalsContact CD2-CD1 3.47Å; L176-I213 HydrophobicContact CG-CD1 4.24Å; Y179-I213 HydrophobicContact CD1-CG2 3.41Å; Y179-I213 VanDerWaalsContact CD1-CG2 3.41Å; Y179-I213 HydrophobicContact CD2-CD1 4.27Å; Y179-I213 HydrophobicContact CD2-CG2 4.48Å; Y179-I213 HydrophobicContact CE1-CG2 4.11Å; Y179-I213 HydrophobicContact CG-CD1 4.27Å; Y179-I213 HydrophobicContact CG-CG2 3.63Å; L181-I213 HydrophobicContact CD1-CB 4.24Å; L181-I213 HydrophobicContact CD1-CG1 3.96Å; L181-I213 HydrophobicContact CD1-CG2 3.97Å; L186-I213 HydrophobicContact CD2-CD1 3.88Å; L186-I213 HydrophobicContact CD2-CG1 4.4Å; I189-I213 HydrophobicContact CD1-CB 4.45Å; I189-I213 HydrophobicContact CD1-CG1 3.6Å; I189-I213 HydrophobicContact CG2-CG1 4.27Å; A209-I213 WeakPolarHBondContact O-CG1 3.41Å; A209-I213 PolarHBondContact O-N 3.08Å; I210-I213 PolarHBondContact O-N 3.36Å; F211-I213 VanDerWaalsContact C-N 3.34Å; I213-K215 VanDerWaalsContact C-N 3.29Å; I213-K215 PolarHBondContact O-N 2.86Å; I213-A216 PolarHBondContact O-N 2.91Å; I213-A216 VanDerWaalsContact O-N 3.13Å; I213-I217 HydrophobicContact CG2-CD1 3.6Å; I213-I217 HydrophobicContact CG2-CG1 4.27Å; I213-I217 WeakPolarHBondContact O-CG1 3.46Å; I213-I217 PolarHBondContact O-N 3.06Å
214	E	87	Confident	83.1	Confident	40 Å²	40	38.7 Å²	38.7	19%	0.187	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-37.3	179.4	-74.2	-176.3	172.2	0	0	111.7	Y152 I210 F211 S218	Y152-E214 PolarHBondContact OH-OE2 3.25Å; I210-E214 PolarHBondContact O-N 2.84Å; F211-E214 PolarHBondContact O-N 3.09Å; E214-S218 VanDerWaalsContact O-CB 3.29Å; E214-S218 WeakPolarHBondContact O-CB 3.34Å; E214-S218 PolarHBondContact O-N 3.29Å; E214-S218 PolarHBondContact O-OG 2.83Å
215	K	83.6	Confident	82	Confident	32 Å²	32	42.6 Å²	42.6	14%	0.139	25%	0.25	C	S	.	.	H	α-helix	trans	-65.9	-43.2	171.4	-80.2	-67.9	-168	173.2	0	113.2	D141 W142 F211 I213 S218 G219 S220	D141-K215 VanDerWaalsContact CG-NZ 3.31Å; D141-K215 WeakPolarHBondContact O-CE 3.47Å; D141-K215 PolarHBondContact O-NZ 3.01Å; D141-K215 VanDerWaalsContact O-NZ 3.17Å; D141-K215 IonicContact OD1-NZ 2.62Å; D141-K215 PolarHBondContact OD1-NZ 2.68Å; D141-K215 IonicContact OD2-NZ 3.82Å; W142-K215 HydrophobicContact CH2-CB 4.43Å; W142-K215 HydrophobicContact CZ3-CB 4.14Å; W142-K215 HydrophobicContact CZ3-CG 4.03Å; F211-K215 HydrophobicContact CE1-CG 4.34Å; F211-K215 HydrophobicContact CZ-CG 4.33Å; F211-K215 PolarHBondContact O-N 3Å; I213-K215 VanDerWaalsContact C-N 3.29Å; I213-K215 PolarHBondContact O-N 2.86Å; K215-S218 CarbonylContact O-C 3.6Å; K215-S218 WeakPolarHBondContact O-CB 3.41Å; K215-S218 PolarHBondContact O-N 3.04Å; K215-G219 PolarHBondContact O-N 3.49Å; K215-S220 VanDerWaalsContact O-CB 3.32Å; K215-S220 WeakPolarHBondContact O-CB 3.18Å; K215-S220 PolarHBondContact O-N 3.04Å
216	A	85.3	Confident	80.6	Confident	19 Å²	19	43.9 Å²	43.9	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-41.7	177.8	0	0	0	0	0	112.7	L181 I189 L212 I213 S218 G219 L222	L181-A216 HydrophobicContact CD1-CB 3.98Å; L181-A216 HydrophobicContact CD2-CB 4.44Å; I189-A216 HydrophobicContact CD1-CB 4.31Å; L212-A216 WeakPolarHBondContact O-CB 3.34Å; L212-A216 PolarHBondContact O-N 3.48Å; I213-A216 PolarHBondContact O-N 2.91Å; I213-A216 VanDerWaalsContact O-N 3.13Å; A216-S218 VanDerWaalsContact C-N 3.28Å; A216-S218 PolarHBondContact O-N 2.86Å; A216-G219 PolarHBondContact O-N 3.39Å; A216-G219 VanDerWaalsContact O-N 3.12Å; A216-L222 HydrophobicContact CB-CD1 4.24Å; A216-L222 HydrophobicContact CB-CD2 4.18Å; A216-L222 HydrophobicContact CB-CG 4.17Å
217	I	85.4	Confident	79.1	Confident	89 Å²	89	45.4 Å²	45.4	46%	0.456	27%	0.267	S	S	.	.	H	α-helix	trans	-64.5	-35.9	173.6	-66.5	170.5	0	0	0	110.6	Y179 L181 I213 G219	Y179-I217 HydrophobicContact CD1-CD1 4.05Å; L181-I217 HydrophobicContact CD1-CG1 4.32Å; L181-I217 HydrophobicContact CD2-CG1 4.01Å; L181-I217 HydrophobicContact CG-CG1 4.19Å; I213-I217 HydrophobicContact CG2-CD1 3.6Å; I213-I217 HydrophobicContact CG2-CG1 4.27Å; I213-I217 WeakPolarHBondContact O-CG1 3.46Å; I213-I217 PolarHBondContact O-N 3.06Å; I217-G219 PolarHBondContact O-N 3.43Å
218	S	81.8	Confident	77.4	Confident	91 Å²	91	50.4 Å²	50.4	64%	0.636	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	12.2	173.6	-54.1	0	0	0	0	113.9	E214 K215 A216 S220	E214-S218 VanDerWaalsContact O-CB 3.29Å; E214-S218 WeakPolarHBondContact O-CB 3.34Å; E214-S218 PolarHBondContact O-N 3.29Å; E214-S218 PolarHBondContact O-OG 2.83Å; K215-S218 CarbonylContact O-C 3.6Å; K215-S218 WeakPolarHBondContact O-CB 3.41Å; K215-S218 PolarHBondContact O-N 3.04Å; A216-S218 VanDerWaalsContact C-N 3.28Å; A216-S218 PolarHBondContact O-N 2.86Å; S218-S220 PolarHBondContact O-N 2.95Å
219	G	75.5	Confident	75.8	Confident	64 Å²	64	52.7 Å²	52.7	66%	0.66	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	7.7	177.5	0	0	0	0	0	115.5	K215 A216 I217	K215-G219 PolarHBondContact O-N 3.49Å; A216-G219 PolarHBondContact O-N 3.39Å; A216-G219 VanDerWaalsContact O-N 3.12Å; I217-G219 PolarHBondContact O-N 3.43Å
220	S	72.2	Confident	74.3	Confident	38 Å²	38	53.2 Å²	53.2	27%	0.266	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-75.7	129	174.5	-57.2	0	0	0	0	109.8	K215 S218 L222	K215-S220 VanDerWaalsContact O-CB 3.32Å; K215-S220 WeakPolarHBondContact O-CB 3.18Å; K215-S220 PolarHBondContact O-N 3.04Å; S218-S220 PolarHBondContact O-N 2.95Å; S220-L222 PolarHBondContact O-N 3.48Å
221	Q	68.8	Low	72.6	Confident	185 Å²	185	58 Å²	58	86%	0.864	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-63.2	134.5	174	-64.3	-170.3	17.9	0	0	110
222	L	69.7	Low	70.7	Confident	36 Å²	36	60.2 Å²	60.2	19%	0.188	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-69.5	142.4	-177.7	-76.2	164.9	0	0	0	111.2	I185 I189 L212 A216 S220	I185-L222 HydrophobicContact CG2-CD1 3.7Å; I189-L222 HydrophobicContact CD1-CD1 3.94Å; I189-L222 HydrophobicContact CD1-CD2 4.24Å; I189-L222 HydrophobicContact CG1-CD1 3.58Å; I189-L222 HydrophobicContact CG1-CD2 3.89Å; I189-L222 HydrophobicContact CG1-CG 4.41Å; L212-L222 HydrophobicContact CB-CD2 4.11Å; L212-L222 HydrophobicContact CD2-CD2 4.18Å; A216-L222 HydrophobicContact CB-CD1 4.24Å; A216-L222 HydrophobicContact CB-CD2 4.18Å; A216-L222 HydrophobicContact CB-CG 4.17Å; S220-L222 PolarHBondContact O-N 3.48Å
223	P	68.3	Low	68.3	Low	21 Å²	21	65.5 Å²	65.5	14%	0.136	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-63.6	146.9	174.4	-21.3	34.7	0	0	0	111.5	W142 H188 L192 T225 P227	W142-P223 HydrophobicContact CD2-CG 4.25Å; W142-P223 HydrophobicContact CE3-CG 3.94Å; W142-P223 HydrophobicContact CH2-CG 3.64Å; W142-P223 HydrophobicContact CZ2-CG 3.92Å; W142-P223 HydrophobicContact CZ3-CG 3.64Å; H188-P223 PolarHBondContact NE2-O 2.74Å; L192-P223 WeakPolarHBondContact CD1-O 3.31Å; P223-T225 VanDerWaalsContact C-N 3.28Å; P223-T225 WeakPolarHBondContact CB-O 3.01Å; P223-P227 HydrophobicContact CB-CG 4.27Å; P223-P227 HydrophobicContact CG-CG 3.96Å
224	N	63.5	Low	65.7	Low	143 Å²	143	73 Å²	73	77%	0.765	45%	0.447	S	S	*	.	S	Bend	trans	-78.5	-15.6	170.6	-71.7	-25.7	0	0	0	112.8
225	T	65.3	Low	63.2	Low	112 Å²	112	80.2 Å²	80.2	69%	0.687	48%	0.481	S	S	*	.	S	Bend	trans	-143.7	143.1	176.6	49.5	0	0	0	0	108.6	P223 P227	P223-T225 VanDerWaalsContact C-N 3.28Å; P223-T225 WeakPolarHBondContact CB-O 3.01Å; T225-P227 WeakPolarHBondContact O-CD 3.39Å
226	L	64	Low	60.7	Low	33 Å²	33	84.5 Å²	84.5	17%	0.173	51%	0.512	C	S	.	.			trans	-66.7	124.6	-175.1	-168.1	76.1	0	0	0	111.2	L192 L195 I208 L212 L230 L231	L192-L226 HydrophobicContact CB-CD1 4.27Å; L195-L226 HydrophobicContact CD2-CD2 3.63Å; I208-L226 HydrophobicContact CD1-CD2 4.3Å; I208-L226 HydrophobicContact CG2-CD1 3.67Å; I208-L226 HydrophobicContact CG2-CD2 4.21Å; L212-L226 HydrophobicContact CD1-CD1 4.06Å; L226-L230 HydrophobicContact CD1-CB 4.29Å; L226-L230 HydrophobicContact CD1-CD1 3.64Å; L226-L230 HydrophobicContact CD2-CB 4.01Å; L226-L230 HydrophobicContact CG-CB 4.1Å; L226-L230 HydrophobicContact CG-CD1 4.2Å; L226-L231 HydrophobicContact CD2-CD2 4.29Å
227	P	59.5	Low	57.9	Low	33 Å²	33	95.4 Å²	95.4	21%	0.214	55%	0.549	C	S	.	.			trans	-61.8	137.6	177.2	-25.6	36	0	0	0	112.8	W142 P223 T225 G229 L230	W142-P227 HydrophobicContact CB-CB 3.88Å; W142-P227 HydrophobicContact CB-CG 3.93Å; W142-P227 HydrophobicContact CD2-CG 4.09Å; W142-P227 HydrophobicContact CE3-CG 4.41Å; W142-P227 HydrophobicContact CG-CB 4.28Å; W142-P227 HydrophobicContact CG-CG 3.86Å; P223-P227 HydrophobicContact CB-CG 4.27Å; P223-P227 HydrophobicContact CG-CG 3.96Å; T225-P227 WeakPolarHBondContact O-CD 3.39Å; P227-G229 PolarHBondContact O-N 3.02Å; P227-L230 PolarHBondContact O-N 3.01Å
228	S	55.1	Low	55.2	Low	104 Å²	104	96.5 Å²	96.5	73%	0.727	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-59.5	-15.9	-171.3	-43.4	0	0	0	0	115.6	L230	S228-L230 VanDerWaalsContact C-N 3.28Å; S228-L230 PolarHBondContact O-N 3.4Å
229	G	55.9	Low	52.8	Low	51 Å²	51	102.1 Å²	102.1	53%	0.526	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-75.5	-8.2	174.9	0	0	0	0	0	115.1	P227	P227-G229 PolarHBondContact O-N 3.02Å
230	L	59.8	Low	50.6	Low	11 Å²	11	101.9 Å²	101.9	6%	0.058	57%	0.571	C	S	.	*	G	3₁₀ helix	trans	-98.1	-2.8	179.9	-64.1	177.6	0	0	0	114	W142 I144 I208 F211 L226 P227 S228	W142-L230 WeakPolarHBondContact O-CD2 3.36Å; W142-L230 WeakPolarHBondContact O-CG 3.48Å; I144-L230 HydrophobicContact CD1-CD2 4.18Å; I144-L230 HydrophobicContact CG1-CD2 3.78Å; I208-L230 WeakPolarHBondContact CD1-O 3.3Å; I208-L230 HydrophobicContact CG1-CB 4.48Å; F211-L230 HydrophobicContact CD1-CD1 4.15Å; F211-L230 HydrophobicContact CD1-CD2 3.91Å; F211-L230 HydrophobicContact CE1-CD1 4.24Å; F211-L230 HydrophobicContact CE1-CD2 3.9Å; L226-L230 HydrophobicContact CD1-CB 4.29Å; L226-L230 HydrophobicContact CD1-CD1 3.64Å; L226-L230 HydrophobicContact CD2-CB 4.01Å; L226-L230 HydrophobicContact CG-CB 4.1Å; L226-L230 HydrophobicContact CG-CD1 4.2Å; P227-L230 PolarHBondContact O-N 3.01Å; S228-L230 VanDerWaalsContact C-N 3.28Å; S228-L230 PolarHBondContact O-N 3.4Å
231	L	56.2	Low	48.7	Very low	100 Å²	100	108.5 Å²	108.5	52%	0.524	60%	0.597	S	S	.	*	S	Bend	trans	-78.2	126.8	-177.1	-66.4	172.8	0	0	0	112.1	L195 L226 S233	L195-L231 HydrophobicContact CD1-CD2 4.3Å; L195-L231 HydrophobicContact CD2-CD2 3.84Å; L226-L231 HydrophobicContact CD2-CD2 4.29Å; L231-S233 PolarHBondContact O-N 3.24Å
232	P	50.3	Low	46.9	Very low	62 Å²	62	105.9 Å²	105.9	40%	0.403	59%	0.594	S	S	.	*			trans	-67.4	113.7	176.7	-21.4	34	0	0	0	112.5	L195 D204 N234	L195-P232 HydrophobicContact CD1-CG 4.47Å; D204-P232 HydrophobicContact CB-CB 4.42Å; D204-P232 HydrophobicContact CB-CG 3.73Å; P232-N234 PolarHBondContact O-N 2.88Å
233	S	37.8	Very low	45	Very low	111 Å²	111	109.6 Å²	109.6	78%	0.776	62%	0.623	S	S	*	*			trans	-81.9	108.5	175.1	-175	0	0	0	0	111.4	L231	L231-S233 PolarHBondContact O-N 3.24Å
234	N	33.9	Very low	43.5	Very low	159 Å²	159	114.1 Å²	114.1	85%	0.85	65%	0.652	S	S	*	*			trans	-179.5	102.6	150.1	-97.6	-29.6	0	0	0	112.8	P232	P232-N234 PolarHBondContact O-N 2.88Å
235	Q	34.5	Very low	41.9	Very low	191 Å²	191	112.5 Å²	112.5	89%	0.893	65%	0.652	S	S	*	*			trans	-145.8	152.5	149.2	-84.1	-160.5	-8.4	0	0	110.6
236	P	31.5	Very low	40.5	Very low	121 Å²	121	112.9 Å²	112.9	79%	0.786	65%	0.654	S	S	*	*			trans	-81.9	141.2	-165.7	-11.9	30	0	0	0	114.2	T238	P236-T238 PolarHBondContact O-N 2.87Å
237	R	26.9	Very low	38.9	Very low	248 Å²	248	117.7 Å²	117.7	94%	0.936	69%	0.685	S	S	*	*			trans	-81.6	110.8	173.3	-75.9	-75.3	-155	157.5	6.2	111.8
238	T	29.4	Very low	37.8	Very low	112 Å²	112	120.2 Å²	120.2	69%	0.687	71%	0.709	S	S	*	*			trans	-145	147	160.2	56.8	0	0	0	0	110.5	P236	P236-T238 PolarHBondContact O-N 2.87Å
239	F	30.5	Very low	37	Very low	209 Å²	209	123.3 Å²	123.3	92%	0.917	71%	0.709	S	S	*	*			trans	61	155.5	-178	-56.6	-89.1	0	0	0	116.3
240	G	29.7	Very low	36.1	Very low	59 Å²	59	127.9 Å²	127.9	61%	0.608	72%	0.717	S	S	*	*			cis	171.6	129.4	-15.8	0	0	0	0	0	115.2
241	H	31.7	Very low	35	Very low	177 Å²	177	134.3 Å²	134.3	82%	0.819	75%	0.751	S	S	*	*			trans	75.4	155.7	158.2	-58.9	-80.7	0	0	0	123.6
242	T	32	Very low	34	Very low	131 Å²	131	137 Å²	137	80%	0.804	77%	0.766	S	S	*	*			trans	73.4	129.4	175.4	66.8	0	0	0	0	116.9
243	S	29.4	Very low	33.2	Very low	114 Å²	114	140.4 Å²	140.4	80%	0.797	78%	0.777	S	S	*	*			cis	99.4	150.6	27.1	-63.7	0	0	0	0	113.5
244	P	37.1	Very low	33.2	Very low	116 Å²	116	140 Å²	140	75%	0.753	77%	0.773	S	S	*	*			cis	-138.9	-161.4	6.6	43.6	-23.9	0	0	0	116.8
245	S	30.4	Very low	33.5	Very low	108 Å²	108	139.9 Å²	139.9	76%	0.755	77%	0.766	S	S	*	*			trans	80.7	143.6	151.5	-85.8	0	0	0	0	121.8
246	V	35	Very low	33.7	Very low	121 Å²	121	138.8 Å²	138.8	73%	0.733	76%	0.761	S	S	*	*			cis	-155.4	168.1	-6.4	-141.2	0	0	0	0	113.6
247	T	31.1	Very low	34.1	Very low	133 Å²	133	138.6 Å²	138.6	82%	0.816	75%	0.753	S	S	*	*			trans	71	150.4	153.2	52.2	0	0	0	0	122.8
248	A	36	Very low	34.9	Very low	87 Å²	87	135.3 Å²	135.3	72%	0.719	75%	0.745	S	S	*	*			cis	-175.2	173	-21.5	0	0	0	0	0	113.8
249	K	38.1	Very low	35.6	Very low	169 Å²	169	135.3 Å²	135.3	74%	0.735	75%	0.75	S	S	*	*			trans	100.2	143.6	171.1	-60.3	179.9	154.6	-72.2	0	117.9
250	E	37.7	Very low	36	Very low	146 Å²	146	131 Å²	131	68%	0.682	75%	0.745	S	S	*	*			cis	-162.6	170.1	-14.4	-107.3	149.2	-166.4	0	0	111.6
251	D	35.4	Very low	36.8	Very low	147 Å²	147	136.4 Å²	136.4	79%	0.786	76%	0.759	S	S	*	*			trans	-71.1	-169.1	-154.8	-57.9	-120.2	0	0	0	122.8
252	N	36.2	Very low	37.6	Very low	156 Å²	156	133.1 Å²	133.1	83%	0.834	76%	0.757	S	S	*	*			cis	-160.8	-144.8	19.4	-155.8	-103.8	0	0	0	118.3
253	E	33.8	Very low	37.8	Very low	134 Å²	134	135.7 Å²	135.7	63%	0.626	76%	0.757	S	S	*	*			trans	-114.4	-165.1	-162.5	-141.1	-158.3	-134	0	0	117.1	K255	E253-K255 WeakPolarHBondContact OE1-CE 3.4Å; E253-K255 IonicContact OE1-NZ 3.2Å; E253-K255 PolarHBondContact OE1-NZ 2.92Å; E253-K255 WeakPolarHBondContact OE2-CD 3.2Å; E253-K255 WeakPolarHBondContact OE2-CE 3.49Å; E253-K255 IonicContact OE2-NZ 2.66Å; E253-K255 PolarHBondContact OE2-NZ 3.18Å
254	S	37.9	Very low	38.8	Very low	101 Å²	101	136.7 Å²	136.7	71%	0.706	75%	0.749	S	S	*	*			cis	-170.2	-174.5	18.8	70.8	0	0	0	0	111.5
255	K	40	Very low	39.5	Very low	158 Å²	158	136.4 Å²	136.4	69%	0.687	74%	0.741	S	S	*	*			cis	-166.2	-161.8	-26.6	-101	172.9	179.4	137.7	0	113.3	E253	E253-K255 WeakPolarHBondContact OE1-CE 3.4Å; E253-K255 IonicContact OE1-NZ 3.2Å; E253-K255 PolarHBondContact OE1-NZ 2.92Å; E253-K255 WeakPolarHBondContact OE2-CD 3.2Å; E253-K255 WeakPolarHBondContact OE2-CE 3.49Å; E253-K255 IonicContact OE2-NZ 2.66Å; E253-K255 PolarHBondContact OE2-NZ 3.18Å
256	E	37.9	Very low	40.7	Very low	168 Å²	168	140 Å²	140	79%	0.785	74%	0.743	S	S	*	*			trans	-138.3	165.1	-151.9	-45.8	172.1	66	0	0	123.9
257	N	39.5	Very low	41.6	Very low	116 Å²	116	145.9 Å²	145.9	62%	0.62	75%	0.752	S	S	*	*			trans	67.7	121.4	135.3	-83.9	-50.5	0	0	0	131.2
258	K	43.9	Very low	43	Very low	180 Å²	180	148.4 Å²	148.4	78%	0.783	75%	0.747	S	S	*	*				69.6	122.7	129.6	-72	175.1	-175.8	174.8	0	132.1
259	S	44.2	Very low	44	Very low	112 Å²	112	148.5 Å²	148.5	78%	0.783	73%	0.733	S	S	*	*				95.5	146	120.4	74.8	0	0	0	0	129.5
260	S	39.1	Very low	44.7	Very low	117 Å²	117	146.7 Å²	146.7	82%	0.818	73%	0.731	S	S	*	*			trans	120.2	171.9	152	77.9	0	0	0	0	122.1
261	L	46.7	Very low	45.7	Very low	173 Å²	173	147.5 Å²	147.5	91%	0.906	73%	0.732	S	S	*	*			trans	-157.4	179.3	-151.8	-69.4	173.2	0	0	0	112.6
262	S	48.2	Very low	46.8	Very low	109 Å²	109	147.4 Å²	147.4	76%	0.762	72%	0.721	S	S	*	*			cis	179.4	163.4	-34.1	-171.9	0	0	0	0	109.7
263	F	36.3	Very low	47.8	Very low	185 Å²	185	145.3 Å²	145.3	81%	0.811	71%	0.706	S	S	*	*			trans	-152.6	-95.2	177.7	-153.8	-114	0	0	0	123.5
264	E	49.8	Very low	49.1	Very low	134 Å²	134	141.6 Å²	141.6	63%	0.626	70%	0.704	S	S	*	*			trans	-87.1	152.6	-145.1	-176.6	57.2	-102.6	0	0	119.8	K266	E264-K266 PolarHBondContact OE1-N 3.44Å
265	D	53	Low	50	Low	111 Å²	111	141.8 Å²	141.8	59%	0.594	69%	0.693	S	S	*	*			trans	-154.4	-22.3	179.1	-106.5	-48.4	0	0	0	119.4	R267	D265-R267 PolarHBondContact O-N 2.79Å; D265-R267 VanDerWaalsContact O-N 3.14Å
266	K	54	Low	51	Low	183 Å²	183	136.3 Å²	136.3	80%	0.796	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-69.9	-22.6	-139.8	-146.3	79.9	176.1	-175	0	119.3	E264	E264-K266 PolarHBondContact OE1-N 3.44Å
267	R	55.8	Low	52.4	Low	244 Å²	244	132.4 Å²	132.4	92%	0.921	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-82.4	-28.6	-165.6	-169.1	-179.9	-69.9	-163.3	1.1	115.7	D265 E269	D265-R267 PolarHBondContact O-N 2.79Å; D265-R267 VanDerWaalsContact O-N 3.14Å; R267-E269 PolarHBondContact O-N 3.49Å; R267-E269 VanDerWaalsContact O-N 3.14Å
268	R	59.6	Low	53.3	Low	186 Å²	186	132.9 Å²	132.9	70%	0.702	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-69.3	-10.6	-174.8	-86.3	176.5	-76.7	-126.8	-2	114.2	N270 R272	R268-N270 PolarHBondContact O-N 3.23Å; R268-R272 PolarHBondContact O-N 3.33Å
269	E	56.7	Low	54.2	Low	90 Å²	90	128 Å²	128	42%	0.421	64%	0.644	S	S	.	*	H	α-helix	trans	-68.8	-37.7	-158.7	-160.9	59	-165.8	0	0	115.7	R267 R272 Q273	R267-E269 PolarHBondContact O-N 3.49Å; R267-E269 VanDerWaalsContact O-N 3.14Å; E269-R272 CarbonylContact O-C 3.33Å; E269-R272 WeakPolarHBondContact O-CA 3.37Å; E269-R272 WeakPolarHBondContact O-CB 3.4Å; E269-R272 PolarHBondContact O-N 2.69Å; E269-Q273 PolarHBondContact O-N 2.83Å
270	N	54.1	Low	55.6	Low	130 Å²	130	128 Å²	128	70%	0.695	63%	0.626	S	S	*	*	H	α-helix	trans	-71.5	-39.2	-170.5	-85.7	-115.5	0	0	0	113.5	R268 R272 Q273	R268-N270 PolarHBondContact O-N 3.23Å; N270-R272 VanDerWaalsContact C-N 3.33Å; N270-Q273 PolarHBondContact O-N 2.91Å
271	F	58.4	Low	56.9	Low	164 Å²	164	130.8 Å²	130.8	72%	0.719	62%	0.619	S	S	*	*	H	α-helix	trans	-71.5	-34.1	171.8	-173.6	-95.8	0	0	0	110.9	Q273 G274	F271-Q273 PolarHBondContact O-N 3.33Å; F271-G274 PolarHBondContact O-N 2.87Å
272	R	58.5	Low	57.9	Low	144 Å²	144	129.4 Å²	129.4	54%	0.543	61%	0.606	S	S	.	*	H	α-helix	trans	-56	-48.9	171.8	-127	177.9	-176	169.2	-0.6	111	R268 E269 N270 G274 Q275 A276	R268-R272 PolarHBondContact O-N 3.33Å; E269-R272 CarbonylContact O-C 3.33Å; E269-R272 WeakPolarHBondContact O-CA 3.37Å; E269-R272 WeakPolarHBondContact O-CB 3.4Å; E269-R272 PolarHBondContact O-N 2.69Å; N270-R272 VanDerWaalsContact C-N 3.33Å; R272-G274 VanDerWaalsContact C-N 3.28Å; R272-G274 PolarHBondContact O-N 3.04Å; R272-G274 VanDerWaalsContact O-N 3.16Å; R272-Q275 CarbonylContact O-C 3.47Å; R272-Q275 PolarHBondContact O-N 3.03Å; R272-A276 WeakPolarHBondContact O-CA 3.21Å; R272-A276 WeakPolarHBondContact O-CB 3.48Å; R272-A276 PolarHBondContact O-N 2.79Å
273	Q	55.7	Low	58.8	Low	113 Å²	113	129.9 Å²	129.9	53%	0.528	60%	0.596	S	S	.	*	H	α-helix	trans	-51.6	-39.8	-176.7	-94.7	176	-35.5	0	0	114.2	E269 N270 F271 A276 E277	E269-Q273 PolarHBondContact O-N 2.83Å; N270-Q273 PolarHBondContact O-N 2.91Å; F271-Q273 PolarHBondContact O-N 3.33Å; Q273-A276 PolarHBondContact O-N 3.01Å; Q273-E277 PolarHBondContact O-N 3.24Å
274	G	61.5	Low	60.6	Low	55 Å²	55	124.9 Å²	124.9	57%	0.567	58%	0.575	S	S	*	*	H	α-helix	trans	-69.7	-35.8	178.7	0	0	0	0	0	114.5	F271 R272	F271-G274 PolarHBondContact O-N 2.87Å; R272-G274 VanDerWaalsContact C-N 3.28Å; R272-G274 PolarHBondContact O-N 3.04Å; R272-G274 VanDerWaalsContact O-N 3.16Å
275	Q	57.7	Low	61.4	Low	106 Å²	106	124.5 Å²	124.5	50%	0.495	58%	0.577	S	S	.	*	H	α-helix	trans	-76.9	-35.8	169.5	-108.4	79	104	0	0	111.4	R272 E277 L278 D279	R272-Q275 CarbonylContact O-C 3.47Å; R272-Q275 PolarHBondContact O-N 3.03Å; Q275-E277 PolarHBondContact O-N 3.25Å; Q275-L278 WeakPolarHBondContact O-CB 3.25Å; Q275-L278 PolarHBondContact O-N 2.9Å; Q275-L278 VanDerWaalsContact O-N 3.08Å; Q275-D279 PolarHBondContact O-N 2.95Å
276	A	60.7	Low	62.3	Low	43 Å²	43	122 Å²	122	36%	0.355	57%	0.571	S	S	.	*	H	α-helix	trans	-68.7	-27.2	-171.4	0	0	0	0	0	113.1	R272 Q273 L278 R280	R272-A276 WeakPolarHBondContact O-CA 3.21Å; R272-A276 WeakPolarHBondContact O-CB 3.48Å; R272-A276 PolarHBondContact O-N 2.79Å; Q273-A276 PolarHBondContact O-N 3.01Å; A276-L278 VanDerWaalsContact C-N 3.31Å; A276-R280 WeakPolarHBondContact O-CA 3.48Å; A276-R280 WeakPolarHBondContact O-CB 3.32Å; A276-R280 PolarHBondContact O-N 3.1Å
277	E	67.6	Low	63.3	Low	85 Å²	85	119.5 Å²	119.5	40%	0.397	56%	0.562	S	S	.	*	H	α-helix	trans	-69.9	-29.9	172.4	-174.5	62.1	-164.9	0	0	112	Q273 Q275 R280 R281	Q273-E277 PolarHBondContact O-N 3.24Å; Q275-E277 PolarHBondContact O-N 3.25Å; E277-R280 IonicContact OE1-CZ 2.64Å; E277-R280 IonicContact OE1-NH1 3.25Å; E277-R280 PolarHBondContact OE1-NH1 3.33Å; E277-R280 WeakPolarHBondContact OE2-CD 3.32Å; E277-R280 IonicContact OE2-CZ 3.96Å; E277-R280 IonicContact OE2-NE 3.18Å; E277-R280 IonicContact OE2-NH1 3.6Å; E277-R280 PolarHBondContact OE2-NH1 3Å; E277-R281 PolarHBondContact O-N 2.92Å
278	L	57.7	Low	64.2	Low	126 Å²	126	114.2 Å²	114.2	66%	0.66	55%	0.546	S	S	*	.	H	α-helix	trans	-76.8	-42.8	174.5	-104.2	170.5	0	0	0	112.1	Q275 A276	Q275-L278 WeakPolarHBondContact O-CB 3.25Å; Q275-L278 PolarHBondContact O-N 2.9Å; Q275-L278 VanDerWaalsContact O-N 3.08Å; A276-L278 VanDerWaalsContact C-N 3.31Å
279	D	62.6	Low	64.7	Low	78 Å²	78	112.3 Å²	112.3	42%	0.417	55%	0.547	S	S	.	.	H	α-helix	trans	-71.3	-31.3	173.5	-81.1	-24	0	0	0	111.9	Q275 R281 K282 Q283	Q275-D279 PolarHBondContact O-N 2.95Å; D279-R281 VanDerWaalsContact C-N 3.33Å; D279-R281 PolarHBondContact O-N 3.25Å; D279-K282 CarbonylContact O-C 3.59Å; D279-K282 WeakPolarHBondContact O-CA 3.31Å; D279-K282 WeakPolarHBondContact O-CB 3.44Å; D279-K282 PolarHBondContact O-N 2.87Å; D279-K282 IonicContact OD1-NZ 3.75Å; D279-Q283 WeakPolarHBondContact O-CB 2.94Å; D279-Q283 WeakPolarHBondContact O-CG 3.19Å; D279-Q283 PolarHBondContact O-N 3.46Å
280	R	72.9	Confident	65.8	Low	111 Å²	111	115.8 Å²	115.8	42%	0.419	56%	0.556	S	S	.	*	H	α-helix	trans	-57.3	-43.9	172.4	172.2	-179.3	158.2	-135	-13	111.1	A276 E277 K282 Q283 E284	A276-R280 WeakPolarHBondContact O-CA 3.48Å; A276-R280 WeakPolarHBondContact O-CB 3.32Å; A276-R280 PolarHBondContact O-N 3.1Å; E277-R280 IonicContact OE1-CZ 2.64Å; E277-R280 IonicContact OE1-NH1 3.25Å; E277-R280 PolarHBondContact OE1-NH1 3.33Å; E277-R280 WeakPolarHBondContact OE2-CD 3.32Å; E277-R280 IonicContact OE2-CZ 3.96Å; E277-R280 IonicContact OE2-NE 3.18Å; E277-R280 IonicContact OE2-NH1 3.6Å; E277-R280 PolarHBondContact OE2-NH1 3Å; R280-K282 VanDerWaalsContact C-N 3.26Å; R280-K282 PolarHBondContact O-N 3.43Å; R280-Q283 CarbonylContact O-C 3.54Å; R280-Q283 PolarHBondContact O-N 3.5Å; R280-Q283 VanDerWaalsContact O-N 3.09Å; R280-E284 HydrophobicContact CG-CG 4.14Å; R280-E284 IonicContact CZ-OE1 3.55Å; R280-E284 IonicContact NE-OE1 2.75Å; R280-E284 PolarHBondContact NE-OE1 3.4Å; R280-E284 IonicContact NH2-OE1 3.29Å; R280-E284 PolarHBondContact NH2-OE1 2.92Å; R280-E284 WeakPolarHBondContact O-CB 3.23Å; R280-E284 WeakPolarHBondContact O-CG 3.36Å; R280-E284 PolarHBondContact O-N 3.21Å
281	R	67.4	Low	66.7	Low	176 Å²	176	114.6 Å²	114.6	66%	0.664	55%	0.549	S	S	*	.	H	α-helix	trans	-66.9	-24.4	176.5	-74.9	-174.7	177.3	-178.2	-0.8	113.9	E277 D279	E277-R281 PolarHBondContact O-N 2.92Å; D279-R281 VanDerWaalsContact C-N 3.33Å; D279-R281 PolarHBondContact O-N 3.25Å
282	K	68	Low	67.4	Low	144 Å²	144	111.2 Å²	111.2	63%	0.626	54%	0.538	S	S	*	.	H	α-helix	trans	-77.9	-38.8	168.1	-66.5	175.9	-177.3	164.3	0	111.5	D279 R280 L285 A286	D279-K282 CarbonylContact O-C 3.59Å; D279-K282 WeakPolarHBondContact O-CA 3.31Å; D279-K282 WeakPolarHBondContact O-CB 3.44Å; D279-K282 PolarHBondContact O-N 2.87Å; D279-K282 IonicContact OD1-NZ 3.75Å; R280-K282 VanDerWaalsContact C-N 3.26Å; R280-K282 PolarHBondContact O-N 3.43Å; K282-L285 PolarHBondContact O-N 3.36Å; K282-A286 PolarHBondContact O-N 3.26Å; K282-A286 VanDerWaalsContact O-N 3.09Å
283	Q	67.3	Low	68.3	Low	119 Å²	119	107.7 Å²	107.7	56%	0.556	53%	0.528	S	S	*	.	H	α-helix	trans	-65.9	-45.3	177.1	-74.5	177.6	-31.3	0	0	111.4	D279 R280 L285 A286 E287	D279-Q283 WeakPolarHBondContact O-CB 2.94Å; D279-Q283 WeakPolarHBondContact O-CG 3.19Å; D279-Q283 PolarHBondContact O-N 3.46Å; R280-Q283 CarbonylContact O-C 3.54Å; R280-Q283 PolarHBondContact O-N 3.5Å; R280-Q283 VanDerWaalsContact O-N 3.09Å; Q283-L285 PolarHBondContact O-N 3.21Å; Q283-A286 CarbonylContact O-C 3.5Å; Q283-A286 PolarHBondContact O-N 2.97Å; Q283-E287 VanDerWaalsContact O-CB 3.29Å; Q283-E287 WeakPolarHBondContact O-CB 3.12Å; Q283-E287 WeakPolarHBondContact O-CG 3.23Å; Q283-E287 PolarHBondContact O-N 3.38Å
284	E	74.2	Confident	69.5	Low	81 Å²	81	107 Å²	107	38%	0.379	53%	0.525	S	S	.	.	H	α-helix	trans	-56.2	-36.1	176.3	-75.1	173.8	167.8	0	0	111.9	R280 K288	R280-E284 HydrophobicContact CG-CG 4.14Å; R280-E284 IonicContact CZ-OE1 3.55Å; R280-E284 IonicContact NE-OE1 2.75Å; R280-E284 PolarHBondContact NE-OE1 3.4Å; R280-E284 IonicContact NH2-OE1 3.29Å; R280-E284 PolarHBondContact NH2-OE1 2.92Å; R280-E284 WeakPolarHBondContact O-CB 3.23Å; R280-E284 WeakPolarHBondContact O-CG 3.36Å; R280-E284 PolarHBondContact O-N 3.21Å; E284-K288 WeakPolarHBondContact O-CB 3.46Å; E284-K288 PolarHBondContact O-N 3.33Å
285	L	66.3	Low	70.4	Confident	126 Å²	126	108.5 Å²	108.5	66%	0.66	52%	0.519	S	S	*	.	H	α-helix	trans	-72.9	-41.1	175.2	-160.4	76.3	0	0	0	112.4	K282 Q283 K288 M289	K282-L285 PolarHBondContact O-N 3.36Å; Q283-L285 PolarHBondContact O-N 3.21Å; L285-K288 PolarHBondContact O-N 2.83Å; L285-M289 PolarHBondContact O-N 3.09Å; L285-M289 VanDerWaalsContact O-N 3.16Å
286	A	71.5	Confident	71.5	Confident	57 Å²	57	111.1 Å²	111.1	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-72.9	-34.7	177.5	0	0	0	0	0	113	K282 Q283 M289 R290	K282-A286 PolarHBondContact O-N 3.26Å; K282-A286 VanDerWaalsContact O-N 3.09Å; Q283-A286 CarbonylContact O-C 3.5Å; Q283-A286 PolarHBondContact O-N 2.97Å; A286-M289 PolarHBondContact O-N 2.91Å; A286-R290 WeakPolarHBondContact O-CB 3.32Å; A286-R290 PolarHBondContact O-N 2.59Å
287	E	75	Confident	72.6	Confident	132 Å²	132	112.9 Å²	112.9	62%	0.617	53%	0.527	S	S	*	.	H	α-helix	trans	-66	-42	171.1	-81	-164.6	132.4	0	0	110.3	Q283 M289 R290 L291	Q283-E287 VanDerWaalsContact O-CB 3.29Å; Q283-E287 WeakPolarHBondContact O-CB 3.12Å; Q283-E287 WeakPolarHBondContact O-CG 3.23Å; Q283-E287 PolarHBondContact O-N 3.38Å; E287-M289 VanDerWaalsContact C-N 3.35Å; E287-M289 PolarHBondContact O-N 3.17Å; E287-R290 CarbonylContact O-C 3.56Å; E287-R290 PolarHBondContact O-N 3.13Å; E287-L291 VanDerWaalsContact O-CB 3.24Å; E287-L291 WeakPolarHBondContact O-CB 3.4Å; E287-L291 PolarHBondContact O-N 3.08Å
288	K	74	Confident	73.1	Confident	133 Å²	133	113.3 Å²	113.3	58%	0.578	53%	0.53	S	S	*	.	H	α-helix	trans	-59.6	-46.4	173.4	-172.5	177.6	178.2	-176.5	0	111.5	E284 L285 R290 L291 D292	E284-K288 WeakPolarHBondContact O-CB 3.46Å; E284-K288 PolarHBondContact O-N 3.33Å; L285-K288 PolarHBondContact O-N 2.83Å; K288-R290 VanDerWaalsContact C-N 3.32Å; K288-R290 PolarHBondContact O-N 2.93Å; K288-L291 PolarHBondContact O-N 3.3Å; K288-D292 PolarHBondContact O-N 2.8Å
289	M	70.8	Confident	74.1	Confident	145 Å²	145	112.1 Å²	112.1	71%	0.714	52%	0.524	S	S	*	.	H	α-helix	trans	-62.8	-36.6	175.1	-72.2	-166.5	70.6	0	0	113	L285 A286 E287 E293	L285-M289 PolarHBondContact O-N 3.09Å; L285-M289 VanDerWaalsContact O-N 3.16Å; A286-M289 PolarHBondContact O-N 2.91Å; E287-M289 VanDerWaalsContact C-N 3.35Å; E287-M289 PolarHBondContact O-N 3.17Å; M289-E293 PolarHBondContact O-N 3.32Å
290	R	78.9	Confident	75	Confident	164 Å²	164	113 Å²	113	62%	0.619	53%	0.526	S	S	*	.	H	α-helix	trans	-66.2	-41.5	171.8	-94	-158.4	63.7	-167.6	-5.6	112.5	A286 E287 K288 E293 E294	A286-R290 WeakPolarHBondContact O-CB 3.32Å; A286-R290 PolarHBondContact O-N 2.59Å; E287-R290 CarbonylContact O-C 3.56Å; E287-R290 PolarHBondContact O-N 3.13Å; K288-R290 VanDerWaalsContact C-N 3.32Å; K288-R290 PolarHBondContact O-N 2.93Å; R290-E293 CarbonylContact O-C 3.53Å; R290-E293 PolarHBondContact O-N 3.31Å; R290-E294 IonicContact CZ-OE2 3.97Å; R290-E294 IonicContact NE-OE2 3.26Å; R290-E294 IonicContact NH2-OE2 2.78Å; R290-E294 PolarHBondContact NH2-OE2 3.11Å; R290-E294 WeakPolarHBondContact O-CB 3.42Å; R290-E294 PolarHBondContact O-N 3.47Å
291	L	74.2	Confident	75.6	Confident	104 Å²	104	114.6 Å²	114.6	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-68.9	-40.9	-175.9	-171.2	70	0	0	0	111	E287 K288 E293 E294 I295	E287-L291 VanDerWaalsContact O-CB 3.24Å; E287-L291 WeakPolarHBondContact O-CB 3.4Å; E287-L291 PolarHBondContact O-N 3.08Å; K288-L291 PolarHBondContact O-N 3.3Å; L291-E293 VanDerWaalsContact C-N 3.28Å; L291-E293 PolarHBondContact O-N 3.47Å; L291-E294 PolarHBondContact O-N 3.09Å; L291-I295 HydrophobicContact CG-CD1 4.02Å; L291-I295 VanDerWaalsContact O-CB 3.32Å; L291-I295 WeakPolarHBondContact O-CB 3.44Å; L291-I295 WeakPolarHBondContact O-CD1 3.44Å; L291-I295 WeakPolarHBondContact O-CG1 3.42Å; L291-I295 PolarHBondContact O-N 2.84Å
292	D	73.5	Confident	76.2	Confident	93 Å²	93	111 Å²	111	50%	0.497	53%	0.525	S	S	.	.	H	α-helix	trans	-61.9	-36.4	173.4	-70.8	-26.5	0	0	0	111.3	K288 R296	K288-D292 PolarHBondContact O-N 2.8Å; D292-R296 WeakPolarHBondContact O-CB 3.29Å; D292-R296 PolarHBondContact O-N 2.9Å; D292-R296 VanDerWaalsContact O-N 3.1Å
293	E	77.3	Confident	76.8	Confident	70 Å²	70	107.8 Å²	107.8	33%	0.327	51%	0.512	S	S	.	.	H	α-helix	trans	-74.3	-40.6	174.1	-175.8	59.7	-141.3	0	0	113	M289 R290 L291 I295 R296 L297	M289-E293 PolarHBondContact O-N 3.32Å; R290-E293 CarbonylContact O-C 3.53Å; R290-E293 PolarHBondContact O-N 3.31Å; L291-E293 VanDerWaalsContact C-N 3.28Å; L291-E293 PolarHBondContact O-N 3.47Å; E293-I295 VanDerWaalsContact C-N 3.34Å; E293-I295 PolarHBondContact O-N 3.01Å; E293-R296 WeakPolarHBondContact O-CB 3.25Å; E293-R296 PolarHBondContact O-N 2.83Å; E293-R296 VanDerWaalsContact O-N 3.12Å; E293-R296 IonicContact OE1-CZ 2.69Å; E293-R296 VanDerWaalsContact OE1-CZ 3.26Å; E293-R296 IonicContact OE1-NE 2.75Å; E293-R296 PolarHBondContact OE1-NE 2.87Å; E293-R296 IonicContact OE1-NH2 3.06Å; E293-R296 PolarHBondContact OE1-NH2 3.25Å; E293-R296 IonicContact OE2-CZ 3.16Å; E293-R296 IonicContact OE2-NE 3.06Å; E293-R296 PolarHBondContact OE2-NE 2.74Å; E293-R296 IonicContact OE2-NH2 3.01Å; E293-R296 PolarHBondContact OE2-NH2 3.31Å; E293-L297 HydrophobicContact CG-CD1 4.16Å; E293-L297 WeakPolarHBondContact O-CG 3.44Å; E293-L297 PolarHBondContact O-N 3.29Å
294	E	80.7	Confident	77.5	Confident	98 Å²	98	107.9 Å²	107.9	46%	0.458	51%	0.507	S	S	.	.	H	α-helix	trans	-62.4	-42.3	176.3	-155.7	95.4	-133.7	0	0	110.3	R290 L291 R296 L297 E298	R290-E294 IonicContact CZ-OE2 3.97Å; R290-E294 IonicContact NE-OE2 3.26Å; R290-E294 IonicContact NH2-OE2 2.78Å; R290-E294 PolarHBondContact NH2-OE2 3.11Å; R290-E294 WeakPolarHBondContact O-CB 3.42Å; R290-E294 PolarHBondContact O-N 3.47Å; L291-E294 PolarHBondContact O-N 3.09Å; E294-R296 VanDerWaalsContact C-N 3.34Å; E294-L297 PolarHBondContact O-N 3.04Å; E294-E298 WeakPolarHBondContact O-CB 3.42Å; E294-E298 PolarHBondContact O-N 3.44Å
295	I	79.7	Confident	77.9	Confident	88 Å²	88	109.6 Å²	109.6	45%	0.451	52%	0.516	S	S	.	.	H	α-helix	trans	-63.8	-38.4	172.5	-71.1	167.5	0	0	0	111	L291 E293 N299	L291-I295 HydrophobicContact CG-CD1 4.02Å; L291-I295 VanDerWaalsContact O-CB 3.32Å; L291-I295 WeakPolarHBondContact O-CB 3.44Å; L291-I295 WeakPolarHBondContact O-CD1 3.44Å; L291-I295 WeakPolarHBondContact O-CG1 3.42Å; L291-I295 PolarHBondContact O-N 2.84Å; E293-I295 VanDerWaalsContact C-N 3.34Å; E293-I295 PolarHBondContact O-N 3.01Å; I295-N299 WeakPolarHBondContact CG2-ND2 3.43Å; I295-N299 WeakPolarHBondContact O-CB 3.24Å; I295-N299 PolarHBondContact O-N 2.86Å; I295-N299 PolarHBondContact O-ND2 3.5Å
296	R	81.5	Confident	78.9	Confident	160 Å²	160	109 Å²	109	60%	0.604	51%	0.507	S	S	*	.	H	α-helix	trans	-63.1	-46.5	175.2	-170.2	178.4	76.1	149	2.3	111.4	D292 E293 E294 E300	D292-R296 WeakPolarHBondContact O-CB 3.29Å; D292-R296 PolarHBondContact O-N 2.9Å; D292-R296 VanDerWaalsContact O-N 3.1Å; E293-R296 WeakPolarHBondContact O-CB 3.25Å; E293-R296 PolarHBondContact O-N 2.83Å; E293-R296 VanDerWaalsContact O-N 3.12Å; E293-R296 IonicContact OE1-CZ 2.69Å; E293-R296 VanDerWaalsContact OE1-CZ 3.26Å; E293-R296 IonicContact OE1-NE 2.75Å; E293-R296 PolarHBondContact OE1-NE 2.87Å; E293-R296 IonicContact OE1-NH2 3.06Å; E293-R296 PolarHBondContact OE1-NH2 3.25Å; E293-R296 IonicContact OE2-CZ 3.16Å; E293-R296 IonicContact OE2-NE 3.06Å; E293-R296 PolarHBondContact OE2-NE 2.74Å; E293-R296 IonicContact OE2-NH2 3.01Å; E293-R296 PolarHBondContact OE2-NH2 3.31Å; E294-R296 VanDerWaalsContact C-N 3.34Å; R296-E300 PolarHBondContact O-N 2.95Å
297	L	83.4	Confident	79.3	Confident	80 Å²	80	111 Å²	111	42%	0.419	51%	0.507	S	S	.	.	H	α-helix	trans	-68.6	-40.3	-178.7	-70.6	168.5	0	0	0	112.8	E293 E294 E300 R301	E293-L297 HydrophobicContact CG-CD1 4.16Å; E293-L297 WeakPolarHBondContact O-CG 3.44Å; E293-L297 PolarHBondContact O-N 3.29Å; E294-L297 PolarHBondContact O-N 3.04Å; L297-E300 PolarHBondContact O-N 2.85Å; L297-R301 WeakPolarHBondContact O-CB 3.41Å; L297-R301 PolarHBondContact O-N 3.1Å
298	E	78.1	Confident	79.7	Confident	94 Å²	94	111.1 Å²	111.1	44%	0.439	51%	0.508	S	S	.	.	H	α-helix	trans	-72.3	-34.6	177.7	-170.1	62.8	-163.5	0	0	111.5	E294 R301 L302	E294-E298 WeakPolarHBondContact O-CB 3.42Å; E294-E298 PolarHBondContact O-N 3.44Å; E298-R301 WeakPolarHBondContact O-CB 3.39Å; E298-R301 PolarHBondContact O-N 3.24Å; E298-R301 IonicContact OE1-NH1 2.72Å; E298-R301 PolarHBondContact OE1-NH1 3.25Å; E298-R301 WeakPolarHBondContact OE2-CD 3.47Å; E298-R301 IonicContact OE2-CZ 2.82Å; E298-R301 IonicContact OE2-NE 3.6Å; E298-R301 IonicContact OE2-NH1 3.59Å; E298-R301 PolarHBondContact OE2-NH1 2.74Å; E298-L302 WeakPolarHBondContact O-CB 3.49Å; E298-L302 PolarHBondContact O-N 3.4Å
299	N	78.4	Confident	80.2	Confident	102 Å²	102	112 Å²	112	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-62.7	-41.6	168.5	-81.7	-61.5	0	0	0	111.9	I295 R301 L302 E303	I295-N299 WeakPolarHBondContact CG2-ND2 3.43Å; I295-N299 WeakPolarHBondContact O-CB 3.24Å; I295-N299 PolarHBondContact O-N 2.86Å; I295-N299 PolarHBondContact O-ND2 3.5Å; N299-R301 VanDerWaalsContact C-N 3.31Å; N299-R301 PolarHBondContact O-N 2.82Å; N299-L302 PolarHBondContact O-N 3.43Å; N299-E303 WeakPolarHBondContact O-CB 3.19Å; N299-E303 PolarHBondContact O-N 2.95Å
300	E	81.9	Confident	80.8	Confident	96 Å²	96	111.2 Å²	111.2	45%	0.449	51%	0.51	S	S	.	.	H	α-helix	trans	-65	-35.6	175.1	-154.6	-156.2	154.2	0	0	111.7	R296 L297 R304	R296-E300 PolarHBondContact O-N 2.95Å; L297-E300 PolarHBondContact O-N 2.85Å; E300-R304 WeakPolarHBondContact O-CB 3.36Å; E300-R304 VanDerWaalsContact O-CG 3.25Å; E300-R304 WeakPolarHBondContact O-CG 3.35Å; E300-R304 PolarHBondContact O-N 3.16Å; E300-R304 PolarHBondContact O-NH1 3.24Å; E300-R304 IonicContact OE1-CZ 3.18Å; E300-R304 IonicContact OE1-NE 3.2Å; E300-R304 PolarHBondContact OE1-NE 2.89Å; E300-R304 IonicContact OE1-NH2 2.78Å; E300-R304 PolarHBondContact OE1-NH2 3.35Å; E300-R304 IonicContact OE2-CZ 2.73Å; E300-R304 IonicContact OE2-NH2 2.74Å; E300-R304 PolarHBondContact OE2-NH2 2.94Å
301	R	84.9	Confident	81.3	Confident	144 Å²	144	112.1 Å²	112.1	54%	0.543	51%	0.513	S	S	.	.	H	α-helix	trans	-64.9	-47.9	173.6	-171.7	-168	-174	-177.3	-0.1	111.9	L297 E298 N299 E303 R304 E305	L297-R301 WeakPolarHBondContact O-CB 3.41Å; L297-R301 PolarHBondContact O-N 3.1Å; E298-R301 WeakPolarHBondContact O-CB 3.39Å; E298-R301 PolarHBondContact O-N 3.24Å; E298-R301 IonicContact OE1-NH1 2.72Å; E298-R301 PolarHBondContact OE1-NH1 3.25Å; E298-R301 WeakPolarHBondContact OE2-CD 3.47Å; E298-R301 IonicContact OE2-CZ 2.82Å; E298-R301 IonicContact OE2-NE 3.6Å; E298-R301 IonicContact OE2-NH1 3.59Å; E298-R301 PolarHBondContact OE2-NH1 2.74Å; N299-R301 VanDerWaalsContact C-N 3.31Å; N299-R301 PolarHBondContact O-N 2.82Å; R301-E303 VanDerWaalsContact C-N 3.34Å; R301-E303 PolarHBondContact O-N 3.48Å; R301-R304 PolarHBondContact O-N 2.67Å; R301-E305 PolarHBondContact O-N 2.98Å
302	L	80.1	Confident	81.5	Confident	100 Å²	100	113.1 Å²	113.1	52%	0.524	52%	0.517	S	S	.	.	H	α-helix	trans	-65.2	-38.9	-179.5	-157.6	160.7	0	0	0	110.8	E298 N299 E305 K306	E298-L302 WeakPolarHBondContact O-CB 3.49Å; E298-L302 PolarHBondContact O-N 3.4Å; N299-L302 PolarHBondContact O-N 3.43Å; L302-E305 PolarHBondContact O-N 3.16Å; L302-K306 WeakPolarHBondContact O-CB 3.17Å; L302-K306 PolarHBondContact O-N 2.82Å
303	E	80.4	Confident	82.1	Confident	78 Å²	78	112.4 Å²	112.4	36%	0.364	51%	0.51	S	S	.	.	H	α-helix	trans	-70.1	-35.4	174.2	-164.3	59.2	-142.5	0	0	112.4	N299 R301 K306 Q307	N299-E303 WeakPolarHBondContact O-CB 3.19Å; N299-E303 PolarHBondContact O-N 2.95Å; R301-E303 VanDerWaalsContact C-N 3.34Å; R301-E303 PolarHBondContact O-N 3.48Å; E303-K306 PolarHBondContact O-N 3.42Å; E303-K306 IonicContact OE1-NZ 2.74Å; E303-K306 PolarHBondContact OE1-NZ 3.18Å; E303-K306 IonicContact OE2-NZ 3.2Å; E303-K306 PolarHBondContact OE2-NZ 2.81Å; E303-Q307 WeakPolarHBondContact O-CB 3.39Å; E303-Q307 VanDerWaalsContact O-CG 3.3Å; E303-Q307 WeakPolarHBondContact O-CG 3.37Å; E303-Q307 PolarHBondContact O-N 3.49Å
304	R	82.6	Confident	82.7	Confident	120 Å²	120	115.2 Å²	115.2	45%	0.453	52%	0.521	S	S	.	.	H	α-helix	trans	-62.9	-45	169.9	-75.1	-175.8	-143.2	107.3	-21.6	111.9	E300 R301 Q307 Q308	E300-R304 WeakPolarHBondContact O-CB 3.36Å; E300-R304 VanDerWaalsContact O-CG 3.25Å; E300-R304 WeakPolarHBondContact O-CG 3.35Å; E300-R304 PolarHBondContact O-N 3.16Å; E300-R304 PolarHBondContact O-NH1 3.24Å; E300-R304 IonicContact OE1-CZ 3.18Å; E300-R304 IonicContact OE1-NE 3.2Å; E300-R304 PolarHBondContact OE1-NE 2.89Å; E300-R304 IonicContact OE1-NH2 2.78Å; E300-R304 PolarHBondContact OE1-NH2 3.35Å; E300-R304 IonicContact OE2-CZ 2.73Å; E300-R304 IonicContact OE2-NH2 2.74Å; E300-R304 PolarHBondContact OE2-NH2 2.94Å; R301-R304 PolarHBondContact O-N 2.67Å; R304-Q307 PolarHBondContact O-N 3.2Å; R304-Q308 WeakPolarHBondContact O-CB 3.15Å; R304-Q308 PolarHBondContact O-N 3.41Å
305	E	83.3	Confident	83	Confident	118 Å²	118	116.7 Å²	116.7	55%	0.551	53%	0.528	S	S	*	.	H	α-helix	trans	-63.4	-42.7	177.3	-170.6	-177	154.2	0	0	111.1	R301 L302 Q307 Q308 K309	R301-E305 PolarHBondContact O-N 2.98Å; L302-E305 PolarHBondContact O-N 3.16Å; E305-Q307 PolarHBondContact O-N 2.79Å; E305-Q308 PolarHBondContact O-N 2.85Å; E305-K309 WeakPolarHBondContact O-CB 3.49Å; E305-K309 PolarHBondContact O-N 2.9Å
306	K	85.9	Confident	83.5	Confident	112 Å²	112	120.3 Å²	120.3	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-60.8	-41.6	173.8	174.7	163.5	158.1	-94.6	0	112.2	L302 E303 L310	L302-K306 WeakPolarHBondContact O-CB 3.17Å; L302-K306 PolarHBondContact O-N 2.82Å; E303-K306 PolarHBondContact O-N 3.42Å; E303-K306 IonicContact OE1-NZ 2.74Å; E303-K306 PolarHBondContact OE1-NZ 3.18Å; E303-K306 IonicContact OE2-NZ 3.2Å; E303-K306 PolarHBondContact OE2-NZ 2.81Å; K306-L310 VanDerWaalsContact O-CB 3.32Å; K306-L310 WeakPolarHBondContact O-CB 3.5Å; K306-L310 PolarHBondContact O-N 3.33Å
307	Q	81.5	Confident	83.9	Confident	101 Å²	101	117.9 Å²	117.9	47%	0.472	53%	0.532	S	S	.	.	H	α-helix	trans	-65.8	-40.2	172.1	-74.7	179.3	35	0	0	112.6	E303 R304 E305 L310 R311	E303-Q307 WeakPolarHBondContact O-CB 3.39Å; E303-Q307 VanDerWaalsContact O-CG 3.3Å; E303-Q307 WeakPolarHBondContact O-CG 3.37Å; E303-Q307 PolarHBondContact O-N 3.49Å; R304-Q307 PolarHBondContact O-N 3.2Å; E305-Q307 PolarHBondContact O-N 2.79Å; Q307-L310 PolarHBondContact O-N 3.47Å; Q307-R311 WeakPolarHBondContact O-CG 3.44Å; Q307-R311 PolarHBondContact O-N 3.33Å
308	Q	82.2	Confident	84.2	Confident	133 Å²	133	119.5 Å²	119.5	62%	0.621	54%	0.537	S	S	*	.	H	α-helix	trans	-65.3	-40.9	176.9	-171.5	172.7	5	0	0	111.5	R304 E305 R311 M312	R304-Q308 WeakPolarHBondContact O-CB 3.15Å; R304-Q308 PolarHBondContact O-N 3.41Å; E305-Q308 PolarHBondContact O-N 2.85Å; Q308-R311 PolarHBondContact O-N 2.97Å; Q308-M312 PolarHBondContact O-N 2.86Å
309	K	84	Confident	84.8	Confident	151 Å²	151	117.8 Å²	117.8	66%	0.657	54%	0.539	S	S	*	.	H	α-helix	trans	-66.5	-39.6	174.6	-165	170	-172.1	169.7	0	112.2	E305 M312 E313	E305-K309 WeakPolarHBondContact O-CB 3.49Å; E305-K309 PolarHBondContact O-N 2.9Å; K309-M312 PolarHBondContact O-N 3.24Å; K309-E313 WeakPolarHBondContact O-CB 3.29Å; K309-E313 PolarHBondContact O-N 2.82Å
310	L	84.7	Confident	85.4	Confident	130 Å²	130	114.8 Å²	114.8	68%	0.681	53%	0.529	S	S	*	.	H	α-helix	trans	-65.5	-37.9	173.5	-166.7	76.8	0	0	0	111.9	K306 Q307 K314	K306-L310 VanDerWaalsContact O-CB 3.32Å; K306-L310 WeakPolarHBondContact O-CB 3.5Å; K306-L310 PolarHBondContact O-N 3.33Å; Q307-L310 PolarHBondContact O-N 3.47Å; L310-K314 WeakPolarHBondContact O-CB 3.36Å; L310-K314 PolarHBondContact O-N 2.93Å
311	R	88.6	Confident	85.8	Confident	182 Å²	182	116.1 Å²	116.1	69%	0.687	54%	0.535	S	S	*	.	H	α-helix	trans	-63.3	-50.5	172.2	-75.3	-178.6	-173.4	-156.3	4.4	111.3	Q307 Q308 E313 K314 E315	Q307-R311 WeakPolarHBondContact O-CG 3.44Å; Q307-R311 PolarHBondContact O-N 3.33Å; Q308-R311 PolarHBondContact O-N 2.97Å; R311-E313 PolarHBondContact O-N 2.86Å; R311-K314 PolarHBondContact O-N 3.16Å; R311-E315 WeakPolarHBondContact O-CB 3.39Å; R311-E315 PolarHBondContact O-N 3Å
312	M	79.3	Confident	86.1	Confident	126 Å²	126	111.9 Å²	111.9	62%	0.621	53%	0.531	S	S	*	.	H	α-helix	trans	-60.9	-40.5	178.6	-72.5	-132.9	-58.8	0	0	112.8	Q308 K309 E315 R316	Q308-M312 PolarHBondContact O-N 2.86Å; K309-M312 PolarHBondContact O-N 3.24Å; M312-E315 PolarHBondContact O-N 2.87Å; M312-R316 WeakPolarHBondContact O-CB 3.45Å; M312-R316 PolarHBondContact O-N 2.98Å
313	E	85.6	Confident	86.5	Confident	77 Å²	77	113.9 Å²	113.9	36%	0.36	54%	0.537	S	S	.	.	H	α-helix	trans	-70.9	-34	177.8	-172.1	59.1	-152.1	0	0	111.7	K309 R311 R316 Q317	K309-E313 WeakPolarHBondContact O-CB 3.29Å; K309-E313 PolarHBondContact O-N 2.82Å; R311-E313 PolarHBondContact O-N 2.86Å; E313-R316 IonicContact OE1-NH1 3.44Å; E313-R316 PolarHBondContact OE1-NH1 2.81Å; E313-R316 WeakPolarHBondContact OE2-CD 3.44Å; E313-R316 IonicContact OE2-CZ 2.67Å; E313-R316 IonicContact OE2-NH1 3.27Å; E313-R316 PolarHBondContact OE2-NH1 2.87Å; E313-Q317 WeakPolarHBondContact O-CB 3.4Å; E313-Q317 VanDerWaalsContact O-CG 3.28Å; E313-Q317 WeakPolarHBondContact O-CG 3.3Å; E313-Q317 PolarHBondContact O-N 3.31Å
314	K	90.1	Very high	87.2	Confident	130 Å²	130	117.5 Å²	117.5	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-67.2	-42.1	171.5	-175.9	176.1	179.8	178.7	0	112.3	L310 R311 R316 Q317 Q318	L310-K314 WeakPolarHBondContact O-CB 3.36Å; L310-K314 PolarHBondContact O-N 2.93Å; R311-K314 PolarHBondContact O-N 3.16Å; K314-R316 VanDerWaalsContact C-N 3.35Å; K314-Q317 PolarHBondContact O-N 3.23Å; K314-Q318 WeakPolarHBondContact O-CG 3.4Å; K314-Q318 PolarHBondContact O-N 3.01Å
315	E	87.3	Confident	87.5	Confident	128 Å²	128	118.4 Å²	118.4	60%	0.598	56%	0.561	S	S	*	*	H	α-helix	trans	-63.2	-41.8	175.7	-176.7	171.5	-169.2	0	0	110.9	R311 M312 Q318 A319	R311-E315 WeakPolarHBondContact O-CB 3.39Å; R311-E315 PolarHBondContact O-N 3Å; M312-E315 PolarHBondContact O-N 2.87Å; E315-Q318 PolarHBondContact O-N 2.86Å; E315-A319 WeakPolarHBondContact O-CB 3.26Å; E315-A319 PolarHBondContact O-N 2.63Å
316	R	90.2	Very high	87.9	Confident	165 Å²	165	115.4 Å²	115.4	62%	0.623	56%	0.556	S	S	*	*	H	α-helix	trans	-63	-39.2	172.5	-176.3	-175.3	179	-146	0.9	112.9	M312 E313 K314 A319 A320	M312-R316 WeakPolarHBondContact O-CB 3.45Å; M312-R316 PolarHBondContact O-N 2.98Å; E313-R316 IonicContact OE1-NH1 3.44Å; E313-R316 PolarHBondContact OE1-NH1 2.81Å; E313-R316 WeakPolarHBondContact OE2-CD 3.44Å; E313-R316 IonicContact OE2-CZ 2.67Å; E313-R316 IonicContact OE2-NH1 3.27Å; E313-R316 PolarHBondContact OE2-NH1 2.87Å; K314-R316 VanDerWaalsContact C-N 3.35Å; R316-A319 PolarHBondContact O-N 2.82Å; R316-A320 WeakPolarHBondContact O-CB 3.42Å; R316-A320 PolarHBondContact O-N 3.03Å
317	Q	88.5	Confident	88.1	Confident	108 Å²	108	113 Å²	113	51%	0.505	55%	0.547	S	S	.	.	H	α-helix	trans	-66.1	-44.5	173.7	-75.4	170.8	16.4	0	0	111.3	E313 K314 A319 A320 E321	E313-Q317 WeakPolarHBondContact O-CB 3.4Å; E313-Q317 VanDerWaalsContact O-CG 3.28Å; E313-Q317 WeakPolarHBondContact O-CG 3.3Å; E313-Q317 PolarHBondContact O-N 3.31Å; K314-Q317 PolarHBondContact O-N 3.23Å; Q317-A319 VanDerWaalsContact C-N 3.33Å; Q317-A319 PolarHBondContact O-N 3.43Å; Q317-A320 PolarHBondContact O-N 3.47Å; Q317-E321 WeakPolarHBondContact O-CG 3.39Å; Q317-E321 PolarHBondContact O-N 2.86Å
318	Q	89.8	Confident	88.6	Confident	115 Å²	115	113.9 Å²	113.9	54%	0.537	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-38.5	174.7	-72.2	-178.6	-34.8	0	0	112.1	K314 E315 E321 A322	K314-Q318 WeakPolarHBondContact O-CG 3.4Å; K314-Q318 PolarHBondContact O-N 3.01Å; E315-Q318 PolarHBondContact O-N 2.86Å; Q318-E321 PolarHBondContact O-N 3.39Å; Q318-A322 VanDerWaalsContact O-CB 3.29Å; Q318-A322 WeakPolarHBondContact O-CB 3.48Å; Q318-A322 PolarHBondContact O-N 3.46Å
319	A	91.2	Very high	89	Confident	58 Å²	58	110.9 Å²	110.9	48%	0.479	55%	0.548	S	S	.	.	H	α-helix	trans	-63.8	-43.9	173	0	0	0	0	0	112	E315 R316 Q317 A322 E323	E315-A319 WeakPolarHBondContact O-CB 3.26Å; E315-A319 PolarHBondContact O-N 2.63Å; R316-A319 PolarHBondContact O-N 2.82Å; Q317-A319 VanDerWaalsContact C-N 3.33Å; Q317-A319 PolarHBondContact O-N 3.43Å; A319-A322 PolarHBondContact O-N 3.27Å; A319-E323 VanDerWaalsContact O-CB 3.29Å; A319-E323 WeakPolarHBondContact O-CB 3.28Å; A319-E323 PolarHBondContact O-N 2.95Å
320	A	91.5	Very high	89.4	Confident	39 Å²	39	111 Å²	111	32%	0.322	54%	0.544	S	S	.	.	H	α-helix	trans	-69.6	-30.1	177.8	0	0	0	0	0	113.4	R316 Q317 K324	R316-A320 WeakPolarHBondContact O-CB 3.42Å; R316-A320 PolarHBondContact O-N 3.03Å; Q317-A320 PolarHBondContact O-N 3.47Å; A320-K324 WeakPolarHBondContact O-CG 3.27Å; A320-K324 PolarHBondContact O-N 3.33Å; A320-K324 VanDerWaalsContact O-N 3.11Å
321	E	89.7	Confident	89.7	Confident	124 Å²	124	110 Å²	110	58%	0.579	54%	0.536	S	S	*	.	H	α-helix	trans	-73.2	-42.3	171.4	-73.6	-176.9	167.7	0	0	111.7	Q317 Q318 E323 K324 Q325	Q317-E321 WeakPolarHBondContact O-CG 3.39Å; Q317-E321 PolarHBondContact O-N 2.86Å; Q318-E321 PolarHBondContact O-N 3.39Å; E321-E323 VanDerWaalsContact C-N 3.35Å; E321-K324 PolarHBondContact O-N 3.32Å; E321-Q325 WeakPolarHBondContact O-CG 3.17Å; E321-Q325 PolarHBondContact O-N 2.82Å
322	A	91.4	Very high	89.7	Confident	55 Å²	55	105.3 Å²	105.3	46%	0.455	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-40.6	172.9	0	0	0	0	0	111.8	Q318 A319 Q325 A326	Q318-A322 VanDerWaalsContact O-CB 3.29Å; Q318-A322 WeakPolarHBondContact O-CB 3.48Å; Q318-A322 PolarHBondContact O-N 3.46Å; A319-A322 PolarHBondContact O-N 3.27Å; A322-Q325 PolarHBondContact O-N 2.95Å; A322-A326 WeakPolarHBondContact O-CB 3.34Å; A322-A326 PolarHBondContact O-N 3.47Å
323	E	89.6	Confident	90	Very high	141 Å²	141	104 Å²	104	66%	0.659	52%	0.516	S	S	*	.	H	α-helix	trans	-61.1	-43.3	173.9	-175.7	175.7	-150.2	0	0	111.4	A319 E321 Q325 A326 E327	A319-E323 VanDerWaalsContact O-CB 3.29Å; A319-E323 WeakPolarHBondContact O-CB 3.28Å; A319-E323 PolarHBondContact O-N 2.95Å; E321-E323 VanDerWaalsContact C-N 3.35Å; E323-Q325 PolarHBondContact O-N 3.45Å; E323-A326 PolarHBondContact O-N 2.93Å; E323-E327 VanDerWaalsContact O-CB 3.29Å; E323-E327 WeakPolarHBondContact O-CB 3.26Å; E323-E327 PolarHBondContact O-N 3.32Å
324	K	93	Very high	90.3	Very high	154 Å²	154	102.9 Å²	102.9	67%	0.67	52%	0.521	S	S	*	.	H	α-helix	trans	-63	-37.2	173.7	-76.4	171.7	-178.3	174.6	0	113.2	A320 E321 L328	A320-K324 WeakPolarHBondContact O-CG 3.27Å; A320-K324 PolarHBondContact O-N 3.33Å; A320-K324 VanDerWaalsContact O-N 3.11Å; E321-K324 PolarHBondContact O-N 3.32Å; K324-L328 WeakPolarHBondContact O-CB 3.5Å; K324-L328 PolarHBondContact O-N 2.66Å
325	Q	89.6	Confident	90.4	Very high	139 Å²	139	101.9 Å²	101.9	65%	0.65	52%	0.518	S	S	*	.	H	α-helix	trans	-71.6	-37.1	175.5	-68.3	-179.4	19.7	0	0	112.1	E321 A322 E323 S329	E321-Q325 WeakPolarHBondContact O-CG 3.17Å; E321-Q325 PolarHBondContact O-N 2.82Å; A322-Q325 PolarHBondContact O-N 2.95Å; E323-Q325 PolarHBondContact O-N 3.45Å; Q325-S329 WeakPolarHBondContact O-CB 3.16Å; Q325-S329 PolarHBondContact O-N 3.11Å; Q325-S329 PolarHBondContact O-OG 3.45Å
326	A	92.1	Very high	90.5	Very high	55 Å²	55	102 Å²	102	46%	0.455	51%	0.513	S	S	.	.	H	α-helix	trans	-66.2	-39.9	172.5	0	0	0	0	0	111.8	A322 E323 S329 R330	A322-A326 WeakPolarHBondContact O-CB 3.34Å; A322-A326 PolarHBondContact O-N 3.47Å; E323-A326 PolarHBondContact O-N 2.93Å; A326-S329 WeakPolarHBondContact CA-OG 3.07Å; A326-S329 PolarHBondContact O-OG 2.94Å; A326-S329 VanDerWaalsContact O-OG 3.07Å; A326-R330 VanDerWaalsContact O-CB 3.25Å; A326-R330 WeakPolarHBondContact O-CB 3.36Å; A326-R330 PolarHBondContact O-N 2.9Å
327	E	90.5	Very high	90.3	Very high	63 Å²	63	96.3 Å²	96.3	29%	0.294	49%	0.493	S	S	.	.	H	α-helix	trans	-63.5	-49.3	174	-178.5	60.6	-134.4	0	0	111.1	E323 S329 R330 Q331	E323-E327 VanDerWaalsContact O-CB 3.29Å; E323-E327 WeakPolarHBondContact O-CB 3.26Å; E323-E327 PolarHBondContact O-N 3.32Å; E327-S329 PolarHBondContact O-N 3.17Å; E327-R330 PolarHBondContact O-N 3.38Å; E327-R330 IonicContact OE1-CZ 3.69Å; E327-R330 IonicContact OE1-NH1 2.97Å; E327-R330 IonicContact OE1-NH2 3.18Å; E327-R330 PolarHBondContact OE1-NH2 2.97Å; E327-R330 IonicContact OE2-CZ 2.7Å; E327-R330 IonicContact OE2-NH1 3.8Å; E327-R330 PolarHBondContact OE2-NH1 3.29Å; E327-R330 IonicContact OE2-NH2 3.28Å; E327-R330 PolarHBondContact OE2-NH2 3.36Å; E327-Q331 WeakPolarHBondContact O-CB 3.22Å; E327-Q331 WeakPolarHBondContact O-CG 3.35Å; E327-Q331 PolarHBondContact O-N 2.89Å; E327-Q331 WeakPolarHBondContact OE1-CG 3.5Å; E327-Q331 PolarHBondContact OE1-NE2 3.09Å
328	L	92.6	Very high	90.4	Very high	118 Å²	118	96.7 Å²	96.7	62%	0.618	50%	0.495	S	S	*	.	H	α-helix	trans	-61.7	-41.6	178.9	-179.1	62	0	0	0	112.3	K324 Q331 L332	K324-L328 WeakPolarHBondContact O-CB 3.5Å; K324-L328 PolarHBondContact O-N 2.66Å; L328-Q331 PolarHBondContact O-N 2.92Å; L328-L332 PolarHBondContact O-N 2.65Å
329	S	90.5	Very high	90.5	Very high	70 Å²	70	99.3 Å²	99.3	49%	0.49	50%	0.5	S	S	.	.	H	α-helix	trans	-69.3	-38.4	175.8	53.2	0	0	0	0	112.2	Q325 A326 E327 Q331 L332 E333	Q325-S329 WeakPolarHBondContact O-CB 3.16Å; Q325-S329 PolarHBondContact O-N 3.11Å; Q325-S329 PolarHBondContact O-OG 3.45Å; A326-S329 WeakPolarHBondContact CA-OG 3.07Å; A326-S329 PolarHBondContact O-OG 2.94Å; A326-S329 VanDerWaalsContact O-OG 3.07Å; E327-S329 PolarHBondContact O-N 3.17Å; S329-Q331 VanDerWaalsContact C-N 3.34Å; S329-Q331 PolarHBondContact O-N 2.85Å; S329-L332 PolarHBondContact O-N 3.24Å; S329-E333 WeakPolarHBondContact O-CB 3.35Å; S329-E333 PolarHBondContact O-N 3.04Å
330	R	91.6	Very high	90.4	Very high	154 Å²	154	104.2 Å²	104.2	58%	0.581	51%	0.506	S	S	*	.	H	α-helix	trans	-63.5	-37.1	172.2	-161.9	-177.9	79.6	-111.6	-7.5	112.1	A326 E327 A334	A326-R330 VanDerWaalsContact O-CB 3.25Å; A326-R330 WeakPolarHBondContact O-CB 3.36Å; A326-R330 PolarHBondContact O-N 2.9Å; E327-R330 PolarHBondContact O-N 3.38Å; E327-R330 IonicContact OE1-CZ 3.69Å; E327-R330 IonicContact OE1-NH1 2.97Å; E327-R330 IonicContact OE1-NH2 3.18Å; E327-R330 PolarHBondContact OE1-NH2 2.97Å; E327-R330 IonicContact OE2-CZ 2.7Å; E327-R330 IonicContact OE2-NH1 3.8Å; E327-R330 PolarHBondContact OE2-NH1 3.29Å; E327-R330 IonicContact OE2-NH2 3.28Å; E327-R330 PolarHBondContact OE2-NH2 3.36Å; R330-A334 WeakPolarHBondContact O-CB 3.39Å; R330-A334 PolarHBondContact O-N 2.8Å
331	Q	90.7	Very high	90.4	Very high	109 Å²	109	110.1 Å²	110.1	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-69	-42.2	175	-73.3	-179.7	19.8	0	0	112.4	E327 L328 S329 E333 A334 Q335	E327-Q331 WeakPolarHBondContact O-CB 3.22Å; E327-Q331 WeakPolarHBondContact O-CG 3.35Å; E327-Q331 PolarHBondContact O-N 2.89Å; E327-Q331 WeakPolarHBondContact OE1-CG 3.5Å; E327-Q331 PolarHBondContact OE1-NE2 3.09Å; L328-Q331 PolarHBondContact O-N 2.92Å; S329-Q331 VanDerWaalsContact C-N 3.34Å; S329-Q331 PolarHBondContact O-N 2.85Å; Q331-E333 VanDerWaalsContact C-N 3.35Å; Q331-A334 PolarHBondContact O-N 2.62Å; Q331-Q335 WeakPolarHBondContact O-CB 3.47Å; Q331-Q335 PolarHBondContact O-N 3.47Å
332	L	88.7	Confident	90.6	Very high	84 Å²	84	108.8 Å²	108.8	44%	0.44	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-42.6	175.2	-175.6	65.9	0	0	0	111.4	L328 S329 Q335 R336	L328-L332 PolarHBondContact O-N 2.65Å; S329-L332 PolarHBondContact O-N 3.24Å; L332-Q335 PolarHBondContact O-N 2.85Å; L332-R336 WeakPolarHBondContact O-CG 3.39Å; L332-R336 PolarHBondContact O-N 3.05Å
333	E	85.9	Confident	90.7	Very high	97 Å²	97	108.1 Å²	108.1	45%	0.453	51%	0.509	S	S	.	.	H	α-helix	trans	-72.9	-34.9	178.2	-160.3	56	-145	0	0	112.1	S329 Q331 Q335 R336 E337	S329-E333 WeakPolarHBondContact O-CB 3.35Å; S329-E333 PolarHBondContact O-N 3.04Å; Q331-E333 VanDerWaalsContact C-N 3.35Å; E333-Q335 VanDerWaalsContact C-N 3.35Å; E333-Q335 PolarHBondContact O-N 3.39Å; E333-R336 PolarHBondContact O-N 2.55Å; E333-R336 WeakPolarHBondContact OE2-CD 3.33Å; E333-R336 IonicContact OE2-CZ 2.96Å; E333-R336 IonicContact OE2-NE 3.16Å; E333-R336 IonicContact OE2-NH1 2.74Å; E333-R336 PolarHBondContact OE2-NH1 2.81Å; E333-E337 VanDerWaalsContact O-CB 3.26Å; E333-E337 WeakPolarHBondContact O-CB 3Å; E333-E337 PolarHBondContact O-N 3.06Å
334	A	91.9	Very high	90.8	Very high	55 Å²	55	105.6 Å²	105.6	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-62.1	-39.7	169.8	0	0	0	0	0	112.2	R330 Q331 E337 Q338	R330-A334 WeakPolarHBondContact O-CB 3.39Å; R330-A334 PolarHBondContact O-N 2.8Å; Q331-A334 PolarHBondContact O-N 2.62Å; A334-E337 PolarHBondContact O-N 3.42Å; A334-Q338 VanDerWaalsContact O-CB 3.31Å; A334-Q338 WeakPolarHBondContact O-CB 3.24Å; A334-Q338 PolarHBondContact O-N 3.33Å
335	Q	91.6	Very high	90.7	Very high	108 Å²	108	104.6 Å²	104.6	51%	0.505	50%	0.5	S	S	.	.	H	α-helix	trans	-66.9	-40.7	175.2	-171.1	-172.2	91.6	0	0	111.7	Q331 L332 E333 Q338 R339	Q331-Q335 WeakPolarHBondContact O-CB 3.47Å; Q331-Q335 PolarHBondContact O-N 3.47Å; L332-Q335 PolarHBondContact O-N 2.85Å; E333-Q335 VanDerWaalsContact C-N 3.35Å; E333-Q335 PolarHBondContact O-N 3.39Å; Q335-Q338 PolarHBondContact O-N 2.9Å; Q335-R339 PolarHBondContact O-N 2.9Å
336	R	90.1	Very high	90.9	Very high	132 Å²	132	104.7 Å²	104.7	50%	0.498	50%	0.501	S	S	.	.	H	α-helix	trans	-61.6	-49.1	173.2	-74.3	164.6	170.5	-179.4	-1.2	111.1	L332 E333 Q338 R339 R340	L332-R336 WeakPolarHBondContact O-CG 3.39Å; L332-R336 PolarHBondContact O-N 3.05Å; E333-R336 PolarHBondContact O-N 2.55Å; E333-R336 WeakPolarHBondContact OE2-CD 3.33Å; E333-R336 IonicContact OE2-CZ 2.96Å; E333-R336 IonicContact OE2-NE 3.16Å; E333-R336 IonicContact OE2-NH1 2.74Å; E333-R336 PolarHBondContact OE2-NH1 2.81Å; R336-Q338 VanDerWaalsContact C-N 3.33Å; R336-Q338 PolarHBondContact O-N 3.07Å; R336-R339 CarbonylContact O-C 3.51Å; R336-R339 WeakPolarHBondContact O-CB 3.01Å; R336-R339 PolarHBondContact O-N 3.43Å; R336-R339 VanDerWaalsContact O-N 3.14Å; R336-R340 WeakPolarHBondContact O-CG 3.25Å; R336-R340 PolarHBondContact O-N 2.71Å
337	E	86.4	Confident	90.9	Very high	45 Å²	45	111.3 Å²	111.3	21%	0.21	51%	0.514	C	S	.	.	H	α-helix	trans	-61.5	-39.2	177.4	172.5	59.8	-178.8	0	0	111.9	E333 A334 R339 R340 R341	E333-E337 VanDerWaalsContact O-CB 3.26Å; E333-E337 WeakPolarHBondContact O-CB 3Å; E333-E337 PolarHBondContact O-N 3.06Å; A334-E337 PolarHBondContact O-N 3.42Å; E337-R339 PolarHBondContact O-N 3.22Å; E337-R340 WeakPolarHBondContact O-CB 3.27Å; E337-R340 PolarHBondContact O-N 3.28Å; E337-R340 VanDerWaalsContact O-N 3.17Å; E337-R340 IonicContact OE1-NH2 2.81Å; E337-R340 IonicContact OE2-CZ 2.78Å; E337-R340 IonicContact OE2-NE 3.88Å; E337-R340 PolarHBondContact OE2-NE 2.71Å; E337-R340 IonicContact OE2-NH2 2.8Å; E337-R340 PolarHBondContact OE2-NH2 2.96Å; E337-R341 WeakPolarHBondContact O-CG 3.36Å; E337-R341 PolarHBondContact O-N 3.37Å; E337-R341 IonicContact OE1-CZ 3.69Å; E337-R341 VanDerWaalsContact OE1-CZ 3.26Å; E337-R341 IonicContact OE1-NE 2.68Å; E337-R341 PolarHBondContact OE1-NE 3.07Å; E337-R341 IonicContact OE1-NH2 2.71Å; E337-R341 PolarHBondContact OE1-NH2 2.9Å
338	Q	91	Very high	90.9	Very high	116 Å²	116	113.8 Å²	113.8	54%	0.542	53%	0.527	S	S	.	.	H	α-helix	trans	-63.3	-40.8	173.3	-171.5	172.4	4.8	0	0	111.8	A334 Q335 R336 R341 Q342	A334-Q338 VanDerWaalsContact O-CB 3.31Å; A334-Q338 WeakPolarHBondContact O-CB 3.24Å; A334-Q338 PolarHBondContact O-N 3.33Å; Q335-Q338 PolarHBondContact O-N 2.9Å; R336-Q338 VanDerWaalsContact C-N 3.33Å; R336-Q338 PolarHBondContact O-N 3.07Å; Q338-R341 PolarHBondContact O-N 3.24Å; Q338-Q342 WeakPolarHBondContact O-CB 3.2Å; Q338-Q342 WeakPolarHBondContact O-CG 3.47Å; Q338-Q342 PolarHBondContact O-N 3.29Å
339	R	91	Very high	90.9	Very high	170 Å²	170	114.1 Å²	114.1	64%	0.642	52%	0.524	S	S	*	.	H	α-helix	trans	-63.8	-38.7	170.8	-73.2	-173.5	-179.4	-163.7	2.6	112.3	Q335 R336 E337 A343	Q335-R339 PolarHBondContact O-N 2.9Å; R336-R339 CarbonylContact O-C 3.51Å; R336-R339 WeakPolarHBondContact O-CB 3.01Å; R336-R339 PolarHBondContact O-N 3.43Å; R336-R339 VanDerWaalsContact O-N 3.14Å; E337-R339 PolarHBondContact O-N 3.22Å; R339-A343 WeakPolarHBondContact O-CB 3.47Å; R339-A343 PolarHBondContact O-N 3.29Å
340	R	90.1	Very high	91.1	Very high	161 Å²	161	113.7 Å²	113.7	61%	0.608	52%	0.524	S	S	*	.	H	α-helix	trans	-61.7	-46.9	173.5	-61.1	-157.3	-48	156.5	6.2	111.1	R336 E337 A343 V344	R336-R340 WeakPolarHBondContact O-CG 3.25Å; R336-R340 PolarHBondContact O-N 2.71Å; E337-R340 WeakPolarHBondContact O-CB 3.27Å; E337-R340 PolarHBondContact O-N 3.28Å; E337-R340 VanDerWaalsContact O-N 3.17Å; E337-R340 IonicContact OE1-NH2 2.81Å; E337-R340 IonicContact OE2-CZ 2.78Å; E337-R340 IonicContact OE2-NE 3.88Å; E337-R340 PolarHBondContact OE2-NE 2.71Å; E337-R340 IonicContact OE2-NH2 2.8Å; E337-R340 PolarHBondContact OE2-NH2 2.96Å; R340-A343 PolarHBondContact O-N 2.84Å; R340-V344 WeakPolarHBondContact O-CB 3.37Å; R340-V344 WeakPolarHBondContact O-CG2 3.5Å; R340-V344 PolarHBondContact O-N 3.1Å
341	R	90.6	Very high	91.2	Very high	162 Å²	162	109 Å²	109	61%	0.611	52%	0.518	S	S	*	.	H	α-helix	trans	-59.6	-47.9	177.5	-72.2	175.2	-171.6	-168.3	4.4	111.5	E337 Q338 A343 V344 E345	E337-R341 WeakPolarHBondContact O-CG 3.36Å; E337-R341 PolarHBondContact O-N 3.37Å; E337-R341 IonicContact OE1-CZ 3.69Å; E337-R341 VanDerWaalsContact OE1-CZ 3.26Å; E337-R341 IonicContact OE1-NE 2.68Å; E337-R341 PolarHBondContact OE1-NE 3.07Å; E337-R341 IonicContact OE1-NH2 2.71Å; E337-R341 PolarHBondContact OE1-NH2 2.9Å; Q338-R341 PolarHBondContact O-N 3.24Å; R341-A343 PolarHBondContact O-N 3.34Å; R341-V344 PolarHBondContact O-N 2.86Å; R341-E345 VanDerWaalsContact O-CB 3.32Å; R341-E345 WeakPolarHBondContact O-CB 3.39Å; R341-E345 PolarHBondContact O-N 2.85Å
342	Q	92.8	Very high	91.3	Very high	96 Å²	96	110.7 Å²	110.7	45%	0.449	52%	0.52	S	S	.	.	H	α-helix	trans	-60.6	-42.1	175.3	-73.9	174	-19.9	0	0	112.3	Q338 E345 Q346	Q338-Q342 WeakPolarHBondContact O-CB 3.2Å; Q338-Q342 WeakPolarHBondContact O-CG 3.47Å; Q338-Q342 PolarHBondContact O-N 3.29Å; Q342-E345 PolarHBondContact O-N 2.86Å; Q342-Q346 WeakPolarHBondContact O-CB 3.29Å; Q342-Q346 VanDerWaalsContact O-CG 3.27Å; Q342-Q346 WeakPolarHBondContact O-CG 3.29Å; Q342-Q346 PolarHBondContact O-N 2.87Å
343	A	93.6	Very high	91.4	Very high	42 Å²	42	109.6 Å²	109.6	35%	0.347	51%	0.514	S	S	.	.	H	α-helix	trans	-67.3	-37.6	176.9	0	0	0	0	0	112.8	R339 R340 R341 R347	R339-A343 WeakPolarHBondContact O-CB 3.47Å; R339-A343 PolarHBondContact O-N 3.29Å; R340-A343 PolarHBondContact O-N 2.84Å; R341-A343 PolarHBondContact O-N 3.34Å; A343-R347 WeakPolarHBondContact O-CB 3.47Å; A343-R347 VanDerWaalsContact O-CG 3.22Å; A343-R347 WeakPolarHBondContact O-CG 3.45Å; A343-R347 PolarHBondContact O-N 2.83Å
344	V	92.7	Very high	91.7	Very high	88 Å²	88	110 Å²	110	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-67.8	-43.5	173.3	170.1	0	0	0	0	110.7	R340 R341 R347 M348	R340-V344 WeakPolarHBondContact O-CB 3.37Å; R340-V344 WeakPolarHBondContact O-CG2 3.5Å; R340-V344 PolarHBondContact O-N 3.1Å; R341-V344 PolarHBondContact O-N 2.86Å; V344-R347 PolarHBondContact O-N 3.41Å; V344-M348 HydrophobicContact CG1-CG 4.23Å; V344-M348 WeakPolarHBondContact O-CB 3.49Å; V344-M348 WeakPolarHBondContact O-CG 3.34Å; V344-M348 PolarHBondContact O-N 3.08Å
345	E	91.3	Very high	91.7	Very high	132 Å²	132	111.7 Å²	111.7	62%	0.617	52%	0.517	S	S	*	.	H	α-helix	trans	-63.6	-44.1	177.4	-174.4	178.9	-175.2	0	0	111.8	R341 Q342 M348 K349	R341-E345 VanDerWaalsContact O-CB 3.32Å; R341-E345 WeakPolarHBondContact O-CB 3.39Å; R341-E345 PolarHBondContact O-N 2.85Å; Q342-E345 PolarHBondContact O-N 2.86Å; E345-M348 CarbonylContact O-C 3.49Å; E345-M348 PolarHBondContact O-N 2.68Å; E345-K349 WeakPolarHBondContact O-CB 3.4Å; E345-K349 PolarHBondContact O-N 3.45Å
346	Q	92.9	Very high	91.8	Very high	142 Å²	142	111.9 Å²	111.9	66%	0.664	52%	0.517	S	S	*	.	H	α-helix	trans	-61.3	-43.9	173.7	-75.7	177.1	-0.4	0	0	111.7	Q342 K349 A350	Q342-Q346 WeakPolarHBondContact O-CB 3.29Å; Q342-Q346 VanDerWaalsContact O-CG 3.27Å; Q342-Q346 WeakPolarHBondContact O-CG 3.29Å; Q342-Q346 PolarHBondContact O-N 2.87Å; Q346-K349 PolarHBondContact O-N 3.4Å; Q346-A350 WeakPolarHBondContact O-CB 3.28Å; Q346-A350 PolarHBondContact O-N 2.86Å
347	R	92.7	Very high	91.9	Very high	194 Å²	194	111 Å²	111	73%	0.732	52%	0.518	S	S	*	.	H	α-helix	trans	-62.4	-43.2	173.8	-75.6	172.2	178.9	-167.3	-0.6	112	A343 V344 K349 A350 A351	A343-R347 WeakPolarHBondContact O-CB 3.47Å; A343-R347 VanDerWaalsContact O-CG 3.22Å; A343-R347 WeakPolarHBondContact O-CG 3.45Å; A343-R347 PolarHBondContact O-N 2.83Å; V344-R347 PolarHBondContact O-N 3.41Å; R347-K349 VanDerWaalsContact C-N 3.32Å; R347-K349 PolarHBondContact O-N 2.85Å; R347-A350 PolarHBondContact O-N 2.82Å; R347-A351 VanDerWaalsContact O-CB 3.26Å; R347-A351 WeakPolarHBondContact O-CB 3.36Å; R347-A351 PolarHBondContact O-N 3.39Å
348	M	89.4	Confident	92.2	Very high	115 Å²	115	116.6 Å²	116.6	57%	0.567	54%	0.537	S	S	*	.	H	α-helix	trans	-69	-27.5	177	-72.3	-69.6	-77.5	0	0	112.8	V344 E345 R352	V344-M348 HydrophobicContact CG1-CG 4.23Å; V344-M348 WeakPolarHBondContact O-CB 3.49Å; V344-M348 WeakPolarHBondContact O-CG 3.34Å; V344-M348 PolarHBondContact O-N 3.08Å; E345-M348 CarbonylContact O-C 3.49Å; E345-M348 PolarHBondContact O-N 2.68Å; M348-R352 WeakPolarHBondContact O-CG 3.18Å; M348-R352 PolarHBondContact O-N 3.39Å; M348-R352 PolarHBondContact O-NE 2.8Å
349	K	93.1	Very high	92.2	Very high	125 Å²	125	115.9 Å²	115.9	54%	0.543	53%	0.534	S	S	.	.	H	α-helix	trans	-72.3	-53.5	169.3	-175.6	178.3	177.3	-175.1	0	110.6	E345 Q346 R347 A351 R352 D353	E345-K349 WeakPolarHBondContact O-CB 3.4Å; E345-K349 PolarHBondContact O-N 3.45Å; Q346-K349 PolarHBondContact O-N 3.4Å; R347-K349 VanDerWaalsContact C-N 3.32Å; R347-K349 PolarHBondContact O-N 2.85Å; K349-A351 VanDerWaalsContact C-N 3.28Å; K349-A351 PolarHBondContact O-N 3.02Å; K349-R352 PolarHBondContact O-N 2.85Å; K349-R352 VanDerWaalsContact O-N 3.07Å; K349-D353 WeakPolarHBondContact CE-OD2 3.25Å; K349-D353 WeakPolarHBondContact CG-OD2 3.28Å; K349-D353 PolarHBondContact O-N 2.66Å
350	A	94.2	Very high	92.3	Very high	61 Å²	61	112.3 Å²	112.3	50%	0.504	53%	0.527	S	S	.	.	H	α-helix	trans	-57.7	-38.7	178.8	0	0	0	0	0	112.7	Q346 R347 D353 L354	Q346-A350 WeakPolarHBondContact O-CB 3.28Å; Q346-A350 PolarHBondContact O-N 2.86Å; R347-A350 PolarHBondContact O-N 2.82Å; A350-D353 PolarHBondContact O-N 2.96Å; A350-L354 VanDerWaalsContact O-CB 3.25Å; A350-L354 WeakPolarHBondContact O-CB 3.25Å; A350-L354 PolarHBondContact O-N 3.22Å
351	A	93.7	Very high	92.5	Very high	54 Å²	54	108 Å²	108	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-64.4	-43.9	174.3	0	0	0	0	0	112.4	R347 K349 E355	R347-A351 VanDerWaalsContact O-CB 3.26Å; R347-A351 WeakPolarHBondContact O-CB 3.36Å; R347-A351 PolarHBondContact O-N 3.39Å; K349-A351 VanDerWaalsContact C-N 3.28Å; K349-A351 PolarHBondContact O-N 3.02Å; A351-E355 VanDerWaalsContact O-CB 3.26Å; A351-E355 WeakPolarHBondContact O-CB 3.18Å; A351-E355 PolarHBondContact O-N 2.79Å
352	R	92.6	Very high	92.4	Very high	145 Å²	145	103.7 Å²	103.7	55%	0.547	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-39	175.1	-77.9	177.2	-68.6	162.9	-1.9	112.4	M348 K349 E355 K356	M348-R352 WeakPolarHBondContact O-CG 3.18Å; M348-R352 PolarHBondContact O-N 3.39Å; M348-R352 PolarHBondContact O-NE 2.8Å; K349-R352 PolarHBondContact O-N 2.85Å; K349-R352 VanDerWaalsContact O-N 3.07Å; R352-E355 PolarHBondContact O-N 2.78Å; R352-K356 WeakPolarHBondContact O-CG 2.93Å; R352-K356 PolarHBondContact O-N 2.93Å
353	D	91.8	Very high	92.4	Very high	62 Å²	62	104.2 Å²	104.2	33%	0.332	51%	0.511	S	S	.	.	H	α-helix	trans	-76.1	-34.5	-178.8	-65.2	-28.4	0	0	0	111.5	K349 A350 K356 Q357	K349-D353 WeakPolarHBondContact CE-OD2 3.25Å; K349-D353 WeakPolarHBondContact CG-OD2 3.28Å; K349-D353 PolarHBondContact O-N 2.66Å; A350-D353 PolarHBondContact O-N 2.96Å; D353-K356 IonicContact OD1-NZ 3.28Å; D353-K356 PolarHBondContact OD1-NZ 3.45Å; D353-Q357 PolarHBondContact O-N 3.16Å; D353-Q357 VanDerWaalsContact O-N 3.11Å
354	L	93.1	Very high	92.5	Very high	104 Å²	104	109.5 Å²	109.5	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-63.7	-40.3	168.1	-177.4	69.2	0	0	0	112	A350 Q357 R358	A350-L354 VanDerWaalsContact O-CB 3.25Å; A350-L354 WeakPolarHBondContact O-CB 3.25Å; A350-L354 PolarHBondContact O-N 3.22Å; L354-Q357 WeakPolarHBondContact O-CB 3.32Å; L354-Q357 PolarHBondContact O-N 3.44Å; L354-R358 PolarHBondContact O-N 2.89Å
355	E	90.2	Very high	92.6	Very high	91 Å²	91	110 Å²	110	43%	0.425	52%	0.521	S	S	.	.	H	α-helix	trans	-68.4	-40.5	179.1	-179.2	52	-150.3	0	0	111.9	A351 R352 Q357 R358 Q359	A351-E355 VanDerWaalsContact O-CB 3.26Å; A351-E355 WeakPolarHBondContact O-CB 3.18Å; A351-E355 PolarHBondContact O-N 2.79Å; R352-E355 PolarHBondContact O-N 2.78Å; E355-Q357 VanDerWaalsContact C-N 3.28Å; E355-Q357 PolarHBondContact O-N 2.91Å; E355-R358 WeakPolarHBondContact O-CB 3.4Å; E355-R358 PolarHBondContact O-N 3.45Å; E355-Q359 WeakPolarHBondContact O-CG 3.28Å; E355-Q359 PolarHBondContact O-N 3.19Å; E355-Q359 PolarHBondContact OE1-NE2 2.94Å
356	K	94.1	Very high	92.8	Very high	112 Å²	112	109.8 Å²	109.8	49%	0.487	51%	0.514	S	S	.	.	H	α-helix	trans	-56.1	-43.1	167.6	-69.6	168.3	-165.4	164	0	111.7	R352 D353 R358 Q359 I360	R352-K356 WeakPolarHBondContact O-CG 2.93Å; R352-K356 PolarHBondContact O-N 2.93Å; D353-K356 IonicContact OD1-NZ 3.28Å; D353-K356 PolarHBondContact OD1-NZ 3.45Å; K356-R358 VanDerWaalsContact C-N 3.33Å; K356-R358 PolarHBondContact O-N 3.32Å; K356-Q359 PolarHBondContact O-N 3.16Å; K356-I360 VanDerWaalsContact O-CG1 3.3Å; K356-I360 WeakPolarHBondContact O-CG1 3.03Å; K356-I360 PolarHBondContact O-N 3.49Å
357	Q	93.2	Very high	92.8	Very high	114 Å²	114	106.4 Å²	106.4	53%	0.533	50%	0.503	S	S	.	.	H	α-helix	trans	-64.5	-37.7	179.1	-163.2	66.6	27.7	0	0	111.9	D353 L354 E355 E361	D353-Q357 PolarHBondContact O-N 3.16Å; D353-Q357 VanDerWaalsContact O-N 3.11Å; L354-Q357 WeakPolarHBondContact O-CB 3.32Å; L354-Q357 PolarHBondContact O-N 3.44Å; E355-Q357 VanDerWaalsContact C-N 3.28Å; E355-Q357 PolarHBondContact O-N 2.91Å; Q357-E361 WeakPolarHBondContact O-CB 3.42Å; Q357-E361 PolarHBondContact O-N 3.15Å
358	R	91.5	Very high	93	Very high	162 Å²	162	100.5 Å²	100.5	61%	0.611	49%	0.486	S	S	*	.	H	α-helix	trans	-63.7	-41.4	171.6	-72.7	179.8	172.7	-79	-1	112.1	L354 E355 K356 S362	L354-R358 PolarHBondContact O-N 2.89Å; E355-R358 WeakPolarHBondContact O-CB 3.4Å; E355-R358 PolarHBondContact O-N 3.45Å; K356-R358 VanDerWaalsContact C-N 3.33Å; K356-R358 PolarHBondContact O-N 3.32Å; R358-S362 WeakPolarHBondContact O-CB 3.34Å; R358-S362 PolarHBondContact O-N 3.1Å; R358-S362 PolarHBondContact O-OG 3.48Å
359	Q	92.5	Very high	93.2	Very high	101 Å²	101	97.6 Å²	97.6	47%	0.472	48%	0.481	S	S	.	.	H	α-helix	trans	-64.3	-51.1	177.6	-70.7	170.6	14.9	0	0	110.4	E355 K356 E361 S362 E363	E355-Q359 WeakPolarHBondContact O-CG 3.28Å; E355-Q359 PolarHBondContact O-N 3.19Å; E355-Q359 PolarHBondContact OE1-NE2 2.94Å; K356-Q359 PolarHBondContact O-N 3.16Å; Q359-E361 PolarHBondContact O-N 3.45Å; Q359-S362 PolarHBondContact O-N 2.99Å; Q359-S362 VanDerWaalsContact O-N 3.14Å; Q359-S362 PolarHBondContact O-OG 3.22Å; Q359-E363 WeakPolarHBondContact O-CG 3.18Å; Q359-E363 PolarHBondContact O-N 3.01Å
360	I	92.8	Very high	93.3	Very high	96 Å²	96	96.6 Å²	96.6	49%	0.492	48%	0.48	S	S	.	.	H	α-helix	trans	-56.3	-46.1	176.9	-67.9	164.2	0	0	0	111.7	K356 E363 R364	K356-I360 VanDerWaalsContact O-CG1 3.3Å; K356-I360 WeakPolarHBondContact O-CG1 3.03Å; K356-I360 PolarHBondContact O-N 3.49Å; I360-E363 PolarHBondContact O-N 3.21Å; I360-R364 WeakPolarHBondContact O-CB 3.41Å; I360-R364 PolarHBondContact O-N 2.9Å
361	E	93	Very high	93.4	Very high	70 Å²	70	98.3 Å²	98.3	33%	0.327	48%	0.481	S	S	.	.	H	α-helix	trans	-70.9	-33.4	179.3	-168.1	61.3	-148.8	0	0	112.2	Q357 Q359 R364 I365	Q357-E361 WeakPolarHBondContact O-CB 3.42Å; Q357-E361 PolarHBondContact O-N 3.15Å; Q359-E361 PolarHBondContact O-N 3.45Å; E361-R364 WeakPolarHBondContact O-CB 3.35Å; E361-R364 PolarHBondContact O-N 3.5Å; E361-R364 IonicContact OE1-CZ 3.43Å; E361-R364 IonicContact OE1-NH1 3.63Å; E361-R364 PolarHBondContact OE1-NH1 2.83Å; E361-R364 VanDerWaalsContact OE2-CD 3.31Å; E361-R364 WeakPolarHBondContact OE2-CD 3.45Å; E361-R364 IonicContact OE2-CZ 2.71Å; E361-R364 IonicContact OE2-NH1 3.18Å; E361-R364 PolarHBondContact OE2-NH1 3.27Å; E361-I365 HydrophobicContact CG-CD1 4.15Å; E361-I365 WeakPolarHBondContact O-CB 3.38Å; E361-I365 VanDerWaalsContact O-CG1 3.27Å; E361-I365 WeakPolarHBondContact O-CG1 3.28Å; E361-I365 PolarHBondContact O-N 3.14Å
362	S	90	Very high	93.5	Very high	71 Å²	71	101.4 Å²	101.4	50%	0.497	48%	0.484	S	S	.	.	H	α-helix	trans	-69.7	-35.8	174.1	68.7	0	0	0	0	112.7	R358 Q359 R366	R358-S362 WeakPolarHBondContact O-CB 3.34Å; R358-S362 PolarHBondContact O-N 3.1Å; R358-S362 PolarHBondContact O-OG 3.48Å; Q359-S362 PolarHBondContact O-N 2.99Å; Q359-S362 VanDerWaalsContact O-N 3.14Å; Q359-S362 PolarHBondContact O-OG 3.22Å; S362-R366 VanDerWaalsContact O-CB 3.31Å; S362-R366 WeakPolarHBondContact O-CB 3.5Å; S362-R366 PolarHBondContact O-N 3.06Å
363	E	92.3	Very high	93.5	Very high	108 Å²	108	99.4 Å²	99.4	51%	0.505	48%	0.481	S	S	.	.	H	α-helix	trans	-65.8	-41.9	169.6	-69.5	-147.6	104.1	0	0	112.1	Q359 I360 R366 T367	Q359-E363 WeakPolarHBondContact O-CG 3.18Å; Q359-E363 PolarHBondContact O-N 3.01Å; I360-E363 PolarHBondContact O-N 3.21Å; E363-R366 WeakPolarHBondContact O-CB 3.24Å; E363-R366 PolarHBondContact O-N 3Å; E363-R366 IonicContact OE1-NH2 2.65Å; E363-R366 PolarHBondContact OE1-NH2 2.91Å; E363-T367 WeakPolarHBondContact O-CG2 3.2Å; E363-T367 PolarHBondContact O-N 2.88Å; E363-T367 PolarHBondContact O-OG1 3.16Å
364	R	95.9	Very high	93.7	Very high	152 Å²	152	103.4 Å²	103.4	57%	0.574	49%	0.491	S	S	*	.	H	α-helix	trans	-58.8	-51.5	175.9	-174.7	-171.6	179.8	-160.4	0.3	111.4	I360 E361 R366 T367 D368	I360-R364 WeakPolarHBondContact O-CB 3.41Å; I360-R364 PolarHBondContact O-N 2.9Å; E361-R364 WeakPolarHBondContact O-CB 3.35Å; E361-R364 PolarHBondContact O-N 3.5Å; E361-R364 IonicContact OE1-CZ 3.43Å; E361-R364 IonicContact OE1-NH1 3.63Å; E361-R364 PolarHBondContact OE1-NH1 2.83Å; E361-R364 VanDerWaalsContact OE2-CD 3.31Å; E361-R364 WeakPolarHBondContact OE2-CD 3.45Å; E361-R364 IonicContact OE2-CZ 2.71Å; E361-R364 IonicContact OE2-NH1 3.18Å; E361-R364 PolarHBondContact OE2-NH1 3.27Å; R364-R366 VanDerWaalsContact C-N 3.29Å; R364-R366 PolarHBondContact O-N 2.84Å; R364-T367 WeakPolarHBondContact CA-OG1 3.24Å; R364-T367 PolarHBondContact O-N 3.35Å; R364-T367 VanDerWaalsContact O-N 3.09Å; R364-T367 PolarHBondContact O-OG1 3.22Å; R364-D368 PolarHBondContact O-N 3.48Å
365	I	94.3	Very high	93.8	Very high	100 Å²	100	101.9 Å²	101.9	51%	0.513	48%	0.484	S	S	.	.	H	α-helix	trans	-58.4	-42.2	176	-69	165.3	0	0	0	110.6	E361 T367 D368 A369	E361-I365 HydrophobicContact CG-CD1 4.15Å; E361-I365 WeakPolarHBondContact O-CB 3.38Å; E361-I365 VanDerWaalsContact O-CG1 3.27Å; E361-I365 WeakPolarHBondContact O-CG1 3.28Å; E361-I365 PolarHBondContact O-N 3.14Å; I365-T367 PolarHBondContact O-N 3.03Å; I365-D368 PolarHBondContact O-N 2.84Å; I365-A369 WeakPolarHBondContact O-CB 3.17Å; I365-A369 PolarHBondContact O-N 2.86Å
366	R	94.8	Very high	94.1	Very high	126 Å²	126	102.6 Å²	102.6	48%	0.475	49%	0.487	S	S	.	.	H	α-helix	trans	-60.8	-41.5	174.6	-176.7	-174.7	63.6	72.9	-4.5	112.3	S362 E363 R364 L370	S362-R366 VanDerWaalsContact O-CB 3.31Å; S362-R366 WeakPolarHBondContact O-CB 3.5Å; S362-R366 PolarHBondContact O-N 3.06Å; E363-R366 WeakPolarHBondContact O-CB 3.24Å; E363-R366 PolarHBondContact O-N 3Å; E363-R366 IonicContact OE1-NH2 2.65Å; E363-R366 PolarHBondContact OE1-NH2 2.91Å; R364-R366 VanDerWaalsContact C-N 3.29Å; R364-R366 PolarHBondContact O-N 2.84Å; R366-L370 HydrophobicContact CG-CD1 4.34Å; R366-L370 VanDerWaalsContact O-CG 3.31Å; R366-L370 WeakPolarHBondContact O-CG 3.48Å; R366-L370 PolarHBondContact O-N 2.86Å; R366-L370 VanDerWaalsContact O-N 3.15Å
367	T	94.1	Very high	94.1	Very high	71 Å²	71	102.3 Å²	102.3	44%	0.436	49%	0.488	S	S	.	.	H	α-helix	trans	-71.8	-38.1	178	54.8	0	0	0	0	113.2	E363 R364 I365 L370 L371	E363-T367 WeakPolarHBondContact O-CG2 3.2Å; E363-T367 PolarHBondContact O-N 2.88Å; E363-T367 PolarHBondContact O-OG1 3.16Å; R364-T367 WeakPolarHBondContact CA-OG1 3.24Å; R364-T367 PolarHBondContact O-N 3.35Å; R364-T367 VanDerWaalsContact O-N 3.09Å; R364-T367 PolarHBondContact O-OG1 3.22Å; I365-T367 PolarHBondContact O-N 3.03Å; T367-L370 PolarHBondContact O-N 2.91Å; T367-L371 WeakPolarHBondContact O-CB 3.22Å; T367-L371 PolarHBondContact O-N 2.82Å
368	D	96	Very high	94.2	Very high	70 Å²	70	101.1 Å²	101.1	37%	0.374	48%	0.483	S	S	.	.	H	α-helix	trans	-65.8	-41.7	175.4	172.1	62.8	0	0	0	111.7	R364 I365 L371 K372	R364-D368 PolarHBondContact O-N 3.48Å; I365-D368 PolarHBondContact O-N 2.84Å; D368-L371 PolarHBondContact O-N 2.86Å; D368-K372 WeakPolarHBondContact O-CB 3.45Å; D368-K372 WeakPolarHBondContact O-CG 3.46Å; D368-K372 PolarHBondContact O-N 2.91Å; D368-K372 WeakPolarHBondContact OD1-CE 3.44Å; D368-K372 IonicContact OD1-NZ 3.6Å; D368-K372 PolarHBondContact OD1-NZ 2.81Å; D368-K372 WeakPolarHBondContact OD2-CE 3.21Å; D368-K372 IonicContact OD2-NZ 2.81Å; D368-K372 PolarHBondContact OD2-NZ 2.82Å
369	A	95.1	Very high	94.4	Very high	55 Å²	55	96.6 Å²	96.6	46%	0.455	47%	0.473	S	S	.	.	H	α-helix	trans	-60.4	-45.6	172.8	0	0	0	0	0	112.4	I365 L371 K372 E373	I365-A369 WeakPolarHBondContact O-CB 3.17Å; I365-A369 PolarHBondContact O-N 2.86Å; A369-L371 VanDerWaalsContact C-N 3.34Å; A369-L371 PolarHBondContact O-N 2.71Å; A369-K372 PolarHBondContact O-N 2.89Å; A369-E373 PolarHBondContact O-N 2.8Å
370	L	94.6	Very high	94.6	Very high	103 Å²	103	95.9 Å²	95.9	54%	0.539	47%	0.473	S	S	.	.	H	α-helix	trans	-66.1	-34.2	176.3	-72.7	169.4	0	0	0	112.9	R366 T367 R374	R366-L370 HydrophobicContact CG-CD1 4.34Å; R366-L370 VanDerWaalsContact O-CG 3.31Å; R366-L370 WeakPolarHBondContact O-CG 3.48Å; R366-L370 PolarHBondContact O-N 2.86Å; R366-L370 VanDerWaalsContact O-N 3.15Å; T367-L370 PolarHBondContact O-N 2.91Å; L370-R374 VanDerWaalsContact O-CB 3.32Å; L370-R374 WeakPolarHBondContact O-CB 3.3Å; L370-R374 PolarHBondContact O-N 2.8Å
371	L	95.9	Very high	94.7	Very high	97 Å²	97	96.8 Å²	96.8	51%	0.508	48%	0.478	S	S	.	.	H	α-helix	trans	-71.2	-38.9	176.4	-174.9	141.2	0	0	0	111.6	T367 D368 A369 R374 N375	T367-L371 WeakPolarHBondContact O-CB 3.22Å; T367-L371 PolarHBondContact O-N 2.82Å; D368-L371 PolarHBondContact O-N 2.86Å; A369-L371 VanDerWaalsContact C-N 3.34Å; A369-L371 PolarHBondContact O-N 2.71Å; L371-R374 PolarHBondContact O-N 2.81Å; L371-N375 WeakPolarHBondContact CD2-ND2 3.4Å; L371-N375 WeakPolarHBondContact O-CB 3.35Å; L371-N375 PolarHBondContact O-N 2.78Å; L371-N375 PolarHBondContact O-OD1 3.37Å
372	K	95.9	Very high	94.8	Very high	120 Å²	120	99.6 Å²	99.6	52%	0.522	49%	0.491	S	S	.	.	H	α-helix	trans	-62.1	-45.5	171.9	-75.8	165.4	177.5	167	0	111.9	D368 A369 N375 H376	D368-K372 WeakPolarHBondContact O-CB 3.45Å; D368-K372 WeakPolarHBondContact O-CG 3.46Å; D368-K372 PolarHBondContact O-N 2.91Å; D368-K372 WeakPolarHBondContact OD1-CE 3.44Å; D368-K372 IonicContact OD1-NZ 3.6Å; D368-K372 PolarHBondContact OD1-NZ 2.81Å; D368-K372 WeakPolarHBondContact OD2-CE 3.21Å; D368-K372 IonicContact OD2-NZ 2.81Å; D368-K372 PolarHBondContact OD2-NZ 2.82Å; A369-K372 PolarHBondContact O-N 2.89Å; K372-N375 PolarHBondContact O-N 2.85Å; K372-H376 WeakPolarHBondContact O-CB 3.35Å; K372-H376 PolarHBondContact O-N 3.05Å
373	E	93.3	Very high	95.2	Very high	103 Å²	103	101.9 Å²	101.9	48%	0.481	49%	0.494	S	S	.	.	H	α-helix	trans	-62.6	-45.9	176.2	-171	58.7	-152.4	0	0	111.6	A369 N375 H376 M377	A369-E373 PolarHBondContact O-N 2.8Å; E373-N375 VanDerWaalsContact C-N 3.31Å; E373-N375 PolarHBondContact O-N 3.4Å; E373-H376 PolarHBondContact O-N 3.31Å; E373-M377 HydrophobicContact CG-CE 4.23Å; E373-M377 WeakPolarHBondContact O-CG 3.42Å; E373-M377 PolarHBondContact O-N 2.85Å
374	R	95.1	Very high	95.3	Very high	145 Å²	145	99.5 Å²	99.5	55%	0.547	49%	0.492	S	S	.	.	H	α-helix	trans	-59.7	-39.4	174.4	174	-93.9	158.6	80.7	-4.3	112.3	L370 L371 Q378	L370-R374 VanDerWaalsContact O-CB 3.32Å; L370-R374 WeakPolarHBondContact O-CB 3.3Å; L370-R374 PolarHBondContact O-N 2.8Å; L371-R374 PolarHBondContact O-N 2.81Å; R374-Q378 WeakPolarHBondContact O-CB 3.24Å; R374-Q378 PolarHBondContact O-N 3.13Å
375	N	95.8	Very high	95.3	Very high	72 Å²	72	96.4 Å²	96.4	39%	0.385	49%	0.49	S	S	.	.	H	α-helix	trans	-70.1	-40.8	177.3	-71.3	-6.1	0	0	0	111.4	L371 K372 E373 Q378 T379	L371-N375 WeakPolarHBondContact CD2-ND2 3.4Å; L371-N375 WeakPolarHBondContact O-CB 3.35Å; L371-N375 PolarHBondContact O-N 2.78Å; L371-N375 PolarHBondContact O-OD1 3.37Å; K372-N375 PolarHBondContact O-N 2.85Å; E373-N375 VanDerWaalsContact C-N 3.31Å; E373-N375 PolarHBondContact O-N 3.4Å; N375-Q378 WeakPolarHBondContact O-CB 3.14Å; N375-Q378 PolarHBondContact O-N 3.47Å; N375-T379 PolarHBondContact O-N 3.16Å; N375-T379 PolarHBondContact O-OG1 2.76Å
376	H	96.1	Very high	95.4	Very high	106 Å²	106	94.5 Å²	94.5	49%	0.491	49%	0.49	S	S	.	.	H	α-helix	trans	-61.4	-47.7	175.6	-177.4	49.5	0	0	0	111.8	K372 E373 Q378 T379 L380	K372-H376 WeakPolarHBondContact O-CB 3.35Å; K372-H376 PolarHBondContact O-N 3.05Å; E373-H376 PolarHBondContact O-N 3.31Å; H376-Q378 VanDerWaalsContact C-N 3.28Å; H376-Q378 PolarHBondContact O-N 2.85Å; H376-T379 PolarHBondContact O-N 3.33Å; H376-L380 WeakPolarHBondContact O-CG 3.45Å; H376-L380 PolarHBondContact O-N 3.03Å
377	M	94.1	Very high	95.5	Very high	106 Å²	106	94.3 Å²	94.3	52%	0.522	49%	0.494	S	S	.	.	H	α-helix	trans	-60.2	-36	172.8	-70.7	-171	-66.6	0	0	112.6	E373 L380 L381	E373-M377 HydrophobicContact CG-CE 4.23Å; E373-M377 WeakPolarHBondContact O-CG 3.42Å; E373-M377 PolarHBondContact O-N 2.85Å; M377-L380 PolarHBondContact O-N 3.18Å; M377-L381 WeakPolarHBondContact O-CB 3.29Å; M377-L381 PolarHBondContact O-N 2.91Å
378	Q	95.3	Very high	95.6	Very high	90 Å²	90	98.8 Å²	98.8	42%	0.421	50%	0.502	S	S	.	.	H	α-helix	trans	-67.1	-42.7	176.3	-176.7	171.6	-25.2	0	0	112	R374 N375 H376 L381 E382	R374-Q378 WeakPolarHBondContact O-CB 3.24Å; R374-Q378 PolarHBondContact O-N 3.13Å; N375-Q378 WeakPolarHBondContact O-CB 3.14Å; N375-Q378 PolarHBondContact O-N 3.47Å; H376-Q378 VanDerWaalsContact C-N 3.28Å; H376-Q378 PolarHBondContact O-N 2.85Å; Q378-L381 PolarHBondContact O-N 2.67Å; Q378-E382 WeakPolarHBondContact O-CB 3.31Å; Q378-E382 PolarHBondContact O-N 2.88Å
379	T	95.9	Very high	95.7	Very high	66 Å²	66	98 Å²	98	41%	0.405	51%	0.506	S	S	.	.	H	α-helix	trans	-64.1	-39.4	174.2	-58	0	0	0	0	112.1	N375 H376 E382 Q383	N375-T379 PolarHBondContact O-N 3.16Å; N375-T379 PolarHBondContact O-OG1 2.76Å; H376-T379 PolarHBondContact O-N 3.33Å; T379-E382 PolarHBondContact O-N 2.88Å; T379-Q383 WeakPolarHBondContact O-CG 3.49Å; T379-Q383 PolarHBondContact O-N 3.18Å
380	L	96.4	Very high	95.7	Very high	87 Å²	87	98.9 Å²	98.9	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-39.5	174.2	-72	171.4	0	0	0	112.1	H376 M377 A384	H376-L380 WeakPolarHBondContact O-CG 3.45Å; H376-L380 PolarHBondContact O-N 3.03Å; M377-L380 PolarHBondContact O-N 3.18Å; L380-A384 WeakPolarHBondContact O-CB 3.38Å; L380-A384 PolarHBondContact O-N 2.93Å
381	L	95.4	Very high	95.7	Very high	115 Å²	115	98.6 Å²	98.6	60%	0.602	51%	0.507	S	S	*	.	H	α-helix	trans	-65.9	-41.6	174.7	-179.8	62	0	0	0	111.8	M377 Q378 A384 V385	M377-L381 WeakPolarHBondContact O-CB 3.29Å; M377-L381 PolarHBondContact O-N 2.91Å; Q378-L381 PolarHBondContact O-N 2.67Å; L381-A384 PolarHBondContact O-N 3.17Å; L381-V385 HydrophobicContact CD1-CG2 4.42Å; L381-V385 WeakPolarHBondContact O-CG2 3.26Å; L381-V385 PolarHBondContact O-N 3.48Å
382	E	95.6	Very high	95.7	Very high	129 Å²	129	98.3 Å²	98.3	60%	0.603	51%	0.506	S	S	*	.	H	α-helix	trans	-62.9	-44.5	176.9	-173.7	169.6	-163.9	0	0	111.6	Q378 T379 A384 V385 A386	Q378-E382 WeakPolarHBondContact O-CB 3.31Å; Q378-E382 PolarHBondContact O-N 2.88Å; T379-E382 PolarHBondContact O-N 2.88Å; E382-A384 PolarHBondContact O-N 3.03Å; E382-V385 PolarHBondContact O-N 3Å; E382-A386 WeakPolarHBondContact O-CB 3.28Å; E382-A386 PolarHBondContact O-N 3.46Å
383	Q	96.8	Very high	95.7	Very high	119 Å²	119	99.5 Å²	99.5	56%	0.556	51%	0.513	S	S	*	.	H	α-helix	trans	-60.1	-42.8	171.8	-73	174.7	-4.3	0	0	112.2	T379 A386 H387	T379-Q383 WeakPolarHBondContact O-CG 3.49Å; T379-Q383 PolarHBondContact O-N 3.18Å; Q383-A386 PolarHBondContact O-N 3.37Å; Q383-H387 WeakPolarHBondContact O-CB 3.18Å; Q383-H387 PolarHBondContact O-N 3.07Å
384	A	94.7	Very high	95.7	Very high	57 Å²	57	97.4 Å²	97.4	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-65.8	-36.5	177	0	0	0	0	0	112.7	L380 L381 E382 R388	L380-A384 WeakPolarHBondContact O-CB 3.38Å; L380-A384 PolarHBondContact O-N 2.93Å; L381-A384 PolarHBondContact O-N 3.17Å; E382-A384 PolarHBondContact O-N 3.03Å; A384-R388 WeakPolarHBondContact O-CB 3.37Å; A384-R388 PolarHBondContact O-N 3.42Å
385	V	97	Very high	95.7	Very high	87 Å²	87	92.9 Å²	92.9	53%	0.527	50%	0.503	S	S	.	.	H	α-helix	trans	-68.6	-44.3	174.8	168.4	0	0	0	0	111.2	L381 E382 R388 A389	L381-V385 HydrophobicContact CD1-CG2 4.42Å; L381-V385 WeakPolarHBondContact O-CG2 3.26Å; L381-V385 PolarHBondContact O-N 3.48Å; E382-V385 PolarHBondContact O-N 3Å; V385-R388 WeakPolarHBondContact O-CB 3.33Å; V385-R388 PolarHBondContact O-N 3Å; V385-A389 PolarHBondContact O-N 3.48Å
386	A	96.4	Very high	95.7	Very high	61 Å²	61	93.1 Å²	93.1	50%	0.504	51%	0.511	S	S	.	.	H	α-helix	trans	-62.1	-44.7	176	0	0	0	0	0	111.9	E382 Q383 R388 A389 S390	E382-A386 WeakPolarHBondContact O-CB 3.28Å; E382-A386 PolarHBondContact O-N 3.46Å; Q383-A386 PolarHBondContact O-N 3.37Å; A386-R388 VanDerWaalsContact C-N 3.33Å; A386-R388 PolarHBondContact O-N 3.13Å; A386-A389 WeakPolarHBondContact O-CB 3.42Å; A386-A389 PolarHBondContact O-N 3.44Å; A386-S390 PolarHBondContact O-N 3.11Å
387	H	96.4	Very high	95.7	Very high	122 Å²	122	91.7 Å²	91.7	57%	0.565	51%	0.513	S	S	*	.	H	α-helix	trans	-61.4	-39.9	174	-177.3	-110.3	0	0	0	112	Q383 A389 S390 L391	Q383-H387 WeakPolarHBondContact O-CB 3.18Å; Q383-H387 PolarHBondContact O-N 3.07Å; H387-A389 VanDerWaalsContact C-N 3.34Å; H387-A389 PolarHBondContact O-N 2.99Å; H387-S390 PolarHBondContact O-N 2.84Å; H387-L391 WeakPolarHBondContact O-CG 3.43Å; H387-L391 PolarHBondContact O-N 2.96Å
388	R	96.7	Very high	95.7	Very high	164 Å²	164	92.6 Å²	92.6	62%	0.619	52%	0.516	S	S	*	.	H	α-helix	trans	-63.8	-37.8	174	-161.2	-170.4	88.2	103.1	2	112.4	A384 V385 A386 L392	A384-R388 WeakPolarHBondContact O-CB 3.37Å; A384-R388 PolarHBondContact O-N 3.42Å; V385-R388 WeakPolarHBondContact O-CB 3.33Å; V385-R388 PolarHBondContact O-N 3Å; A386-R388 VanDerWaalsContact C-N 3.33Å; A386-R388 PolarHBondContact O-N 3.13Å; R388-L392 HydrophobicContact CG-CD1 4.43Å; R388-L392 VanDerWaalsContact O-CG 3.3Å; R388-L392 WeakPolarHBondContact O-CG 3.48Å; R388-L392 PolarHBondContact O-N 3.33Å; R388-L392 VanDerWaalsContact O-N 3.15Å
389	A	96.5	Very high	95.7	Very high	55 Å²	55	93.3 Å²	93.3	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-49.1	176.6	0	0	0	0	0	111.3	V385 A386 H387 L391 L392 E393	V385-A389 PolarHBondContact O-N 3.48Å; A386-A389 WeakPolarHBondContact O-CB 3.42Å; A386-A389 PolarHBondContact O-N 3.44Å; H387-A389 VanDerWaalsContact C-N 3.34Å; H387-A389 PolarHBondContact O-N 2.99Å; A389-L391 VanDerWaalsContact C-N 3.33Å; A389-L391 PolarHBondContact O-N 3.02Å; A389-L392 PolarHBondContact O-N 3.14Å; A389-E393 PolarHBondContact O-N 3.47Å
390	S	96.3	Very high	95.8	Very high	72 Å²	72	96.8 Å²	96.8	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-59.1	-40	176.9	178.8	0	0	0	0	112.9	A386 H387 L392 E393 S394	A386-S390 PolarHBondContact O-N 3.11Å; H387-S390 PolarHBondContact O-N 2.84Å; S390-L392 PolarHBondContact O-N 3.47Å; S390-E393 PolarHBondContact O-N 3.08Å; S390-S394 VanDerWaalsContact O-CB 3.32Å; S390-S394 WeakPolarHBondContact O-CB 3.08Å; S390-S394 PolarHBondContact O-N 3.34Å
391	L	95.2	Very high	95.8	Very high	97 Å²	97	98.7 Å²	98.7	51%	0.508	53%	0.532	S	S	.	.	H	α-helix	trans	-65.2	-35.6	174	-73.9	176.1	0	0	0	113.2	H387 A389 A395	H387-L391 WeakPolarHBondContact O-CG 3.43Å; H387-L391 PolarHBondContact O-N 2.96Å; A389-L391 VanDerWaalsContact C-N 3.33Å; A389-L391 PolarHBondContact O-N 3.02Å; L391-A395 WeakPolarHBondContact O-CB 3.29Å; L391-A395 PolarHBondContact O-N 3.43Å
392	L	95.9	Very high	95.7	Very high	91 Å²	91	98.3 Å²	98.3	48%	0.476	53%	0.53	S	S	.	.	H	α-helix	trans	-73	-38.3	176.9	-73.2	168.4	0	0	0	112.1	R388 A389 S390 A395 S396	R388-L392 HydrophobicContact CG-CD1 4.43Å; R388-L392 VanDerWaalsContact O-CG 3.3Å; R388-L392 WeakPolarHBondContact O-CG 3.48Å; R388-L392 PolarHBondContact O-N 3.33Å; R388-L392 VanDerWaalsContact O-N 3.15Å; A389-L392 PolarHBondContact O-N 3.14Å; S390-L392 PolarHBondContact O-N 3.47Å; L392-A395 PolarHBondContact O-N 3.02Å; L392-S396 WeakPolarHBondContact O-CB 3.25Å; L392-S396 PolarHBondContact O-N 3.46Å
393	E	95.2	Very high	95.8	Very high	146 Å²	146	97.3 Å²	97.3	68%	0.682	53%	0.528	S	S	*	.	H	α-helix	trans	-64.2	-45.7	173.9	-176.3	170.4	-150.9	0	0	111.3	A389 S390 A395 S396 S397	A389-E393 PolarHBondContact O-N 3.47Å; S390-E393 PolarHBondContact O-N 3.08Å; E393-A395 PolarHBondContact O-N 3.19Å; E393-S396 PolarHBondContact O-N 3.15Å; E393-S397 PolarHBondContact O-N 2.79Å
394	S	94.1	Very high	95.7	Very high	58 Å²	58	96 Å²	96	41%	0.406	52%	0.522	S	S	.	.	H	α-helix	trans	-59.1	-45.3	173.4	-175.7	0	0	0	0	112.2	S390 S396 S397 Q398	S390-S394 VanDerWaalsContact O-CB 3.32Å; S390-S394 WeakPolarHBondContact O-CB 3.08Å; S390-S394 PolarHBondContact O-N 3.34Å; S394-S396 VanDerWaalsContact C-N 3.35Å; S394-S396 PolarHBondContact O-N 3.26Å; S394-S397 PolarHBondContact O-N 3.35Å; S394-Q398 WeakPolarHBondContact O-CG 3.31Å; S394-Q398 PolarHBondContact O-N 3.27Å
395	A	94.5	Very high	95.7	Very high	50 Å²	50	97.9 Å²	97.9	41%	0.413	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-37.7	175.1	0	0	0	0	0	112.8	L391 L392 E393 Q398 Q399	L391-A395 WeakPolarHBondContact O-CB 3.29Å; L391-A395 PolarHBondContact O-N 3.43Å; L392-A395 PolarHBondContact O-N 3.02Å; E393-A395 PolarHBondContact O-N 3.19Å; A395-Q398 PolarHBondContact O-N 3.02Å; A395-Q399 WeakPolarHBondContact O-CB 3.39Å; A395-Q399 PolarHBondContact O-N 3.34Å
396	S	96.1	Very high	95.7	Very high	78 Å²	78	98 Å²	98	55%	0.545	52%	0.521	S	S	.	.	H	α-helix	trans	-67.5	-40.2	175.9	-166.1	0	0	0	0	112.1	L392 E393 S394 Q399 Q400	L392-S396 WeakPolarHBondContact O-CB 3.25Å; L392-S396 PolarHBondContact O-N 3.46Å; E393-S396 PolarHBondContact O-N 3.15Å; S394-S396 VanDerWaalsContact C-N 3.35Å; S394-S396 PolarHBondContact O-N 3.26Å; S396-Q399 PolarHBondContact O-N 3.37Å; S396-Q400 PolarHBondContact O-N 3.41Å
397	S	95.1	Very high	95.7	Very high	76 Å²	76	98.3 Å²	98.3	53%	0.531	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-44.5	174.1	177.5	0	0	0	0	111.5	E393 S394 Q399 Q400 R401	E393-S397 PolarHBondContact O-N 2.79Å; S394-S397 PolarHBondContact O-N 3.35Å; S397-Q399 PolarHBondContact O-N 2.98Å; S397-Q400 PolarHBondContact O-N 3.48Å; S397-R401 WeakPolarHBondContact O-CB 3.26Å; S397-R401 PolarHBondContact O-N 3.3Å
398	Q	94.6	Very high	95.7	Very high	124 Å²	124	100.2 Å²	100.2	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-61	-41.9	173.5	-72.6	-179.3	-5	0	0	112.2	S394 A395 R401 L402	S394-Q398 WeakPolarHBondContact O-CG 3.31Å; S394-Q398 PolarHBondContact O-N 3.27Å; A395-Q398 PolarHBondContact O-N 3.02Å; Q398-R401 PolarHBondContact O-N 3.42Å; Q398-L402 WeakPolarHBondContact O-CG 3.21Å; Q398-L402 PolarHBondContact O-N 3.31Å
399	Q	95.7	Very high	95.6	Very high	106 Å²	106	97.8 Å²	97.8	50%	0.495	52%	0.521	S	S	.	.	H	α-helix	trans	-64.3	-39.5	176.3	-175.4	60.8	39.8	0	0	112.4	A395 S396 S397 L402 L403	A395-Q399 WeakPolarHBondContact O-CB 3.39Å; A395-Q399 PolarHBondContact O-N 3.34Å; S396-Q399 PolarHBondContact O-N 3.37Å; S397-Q399 PolarHBondContact O-N 2.98Å; Q399-L402 PolarHBondContact O-N 3.44Å; Q399-L403 WeakPolarHBondContact O-CG 3.38Å; Q399-L403 PolarHBondContact O-N 2.82Å; Q399-L403 VanDerWaalsContact O-N 3.16Å
400	Q	96.2	Very high	95.6	Very high	138 Å²	138	99.4 Å²	99.4	65%	0.645	52%	0.522	S	S	*	.	H	α-helix	trans	-64.1	-44.3	174.1	-179.4	175.1	-24.3	0	0	111.4	S396 S397 L402 L403 E404	S396-Q400 PolarHBondContact O-N 3.41Å; S397-Q400 PolarHBondContact O-N 3.48Å; Q400-L402 VanDerWaalsContact C-N 3.31Å; Q400-L402 PolarHBondContact O-N 3.39Å; Q400-L403 PolarHBondContact O-N 2.85Å; Q400-E404 PolarHBondContact O-N 2.97Å
401	R	96.3	Very high	95.6	Very high	128 Å²	128	98.9 Å²	98.9	48%	0.483	52%	0.515	S	S	.	.	H	α-helix	trans	-63.8	-34	177.3	-169.4	173.3	-178.6	128	-0.5	112.5	S397 Q398 L405 E727	S397-R401 WeakPolarHBondContact O-CB 3.26Å; S397-R401 PolarHBondContact O-N 3.3Å; Q398-R401 PolarHBondContact O-N 3.42Å; R401-L405 HydrophobicContact CG-CD1 4.35Å; R401-L405 WeakPolarHBondContact O-CB 3.21Å; R401-L405 VanDerWaalsContact O-CG 3.26Å; R401-L405 WeakPolarHBondContact O-CG 3.25Å; R401-L405 PolarHBondContact O-N 3.07Å; R401-E727 IonicContact NH1-OE1 2.75Å; R401-E727 PolarHBondContact NH1-OE1 3.2Å; R401-E727 VanDerWaalsContact NH1-OE1 3.16Å
402	L	95.1	Very high	95.5	Very high	106 Å²	106	96.3 Å²	96.3	56%	0.555	51%	0.508	S	S	*	.	H	α-helix	trans	-65.4	-44.3	172.2	-74.5	172.9	0	0	0	112.1	Q398 Q399 Q400 E404 L405 D406	Q398-L402 WeakPolarHBondContact O-CG 3.21Å; Q398-L402 PolarHBondContact O-N 3.31Å; Q399-L402 PolarHBondContact O-N 3.44Å; Q400-L402 VanDerWaalsContact C-N 3.31Å; Q400-L402 PolarHBondContact O-N 3.39Å; L402-E404 VanDerWaalsContact C-N 3.32Å; L402-E404 PolarHBondContact O-N 3.47Å; L402-L405 PolarHBondContact O-N 2.91Å; L402-D406 WeakPolarHBondContact O-CB 3.48Å; L402-D406 PolarHBondContact O-N 3.47Å
403	L	95.9	Very high	95.6	Very high	109 Å²	109	96.2 Å²	96.2	57%	0.571	51%	0.505	S	S	*	.	H	α-helix	trans	-65.5	-35.4	176.6	-69	167.1	0	0	0	112.2	Q399 Q400 S407	Q399-L403 WeakPolarHBondContact O-CG 3.38Å; Q399-L403 PolarHBondContact O-N 2.82Å; Q399-L403 VanDerWaalsContact O-N 3.16Å; Q400-L403 PolarHBondContact O-N 2.85Å; L403-S407 WeakPolarHBondContact O-CB 3.23Å; L403-S407 PolarHBondContact O-N 3.33Å
404	E	95.6	Very high	95.6	Very high	90 Å²	90	93.7 Å²	93.7	42%	0.421	50%	0.5	S	S	.	.	H	α-helix	trans	-67.9	-43.4	174.4	-163.2	-166.5	157.2	0	0	112	Q400 L402 S407 R408	Q400-E404 PolarHBondContact O-N 2.97Å; L402-E404 VanDerWaalsContact C-N 3.32Å; L402-E404 PolarHBondContact O-N 3.47Å; E404-S407 PolarHBondContact O-N 2.72Å; E404-R408 WeakPolarHBondContact O-CB 3.17Å; E404-R408 VanDerWaalsContact O-CG 3.3Å; E404-R408 WeakPolarHBondContact O-CG 3.35Å; E404-R408 PolarHBondContact O-N 3.46Å; E404-R408 IonicContact OE1-CZ 3.63Å; E404-R408 IonicContact OE1-NE 2.76Å; E404-R408 PolarHBondContact OE1-NE 3.19Å; E404-R408 IonicContact OE1-NH2 3.85Å; E404-R408 PolarHBondContact OE1-NH2 3.48Å
405	L	95.2	Very high	95.7	Very high	98 Å²	98	96.2 Å²	96.2	51%	0.513	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-38.4	176.2	-73.9	170.4	0	0	0	112.1	R401 L402 R408 L409	R401-L405 HydrophobicContact CG-CD1 4.35Å; R401-L405 WeakPolarHBondContact O-CB 3.21Å; R401-L405 VanDerWaalsContact O-CG 3.26Å; R401-L405 WeakPolarHBondContact O-CG 3.25Å; R401-L405 PolarHBondContact O-N 3.07Å; L402-L405 PolarHBondContact O-N 2.91Å; L405-R408 PolarHBondContact O-N 3.39Å; L405-L409 VanDerWaalsContact O-CB 3.29Å; L405-L409 WeakPolarHBondContact O-CB 3.44Å; L405-L409 PolarHBondContact O-N 2.83Å
406	D	96	Very high	95.8	Very high	89 Å²	89	97.1 Å²	97.1	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-44.8	173.1	-172.5	81.3	0	0	0	111.4	L402 R408 L409 N410	L402-D406 WeakPolarHBondContact O-CB 3.48Å; L402-D406 PolarHBondContact O-N 3.47Å; D406-R408 PolarHBondContact O-N 3.22Å; D406-L409 PolarHBondContact O-N 2.8Å; D406-N410 WeakPolarHBondContact O-CB 3.49Å; D406-N410 PolarHBondContact O-N 2.74Å; D406-N410 PolarHBondContact O-ND2 2.89Å; D406-N410 PolarHBondContact OD2-ND2 3.46Å
407	S	96.1	Very high	95.9	Very high	68 Å²	68	96.5 Å²	96.5	48%	0.476	50%	0.496	S	S	.	.	H	α-helix	trans	-59.8	-45	174.3	-173.4	0	0	0	0	112.5	L403 E404 L409 N410 V411	L403-S407 WeakPolarHBondContact O-CB 3.23Å; L403-S407 PolarHBondContact O-N 3.33Å; E404-S407 PolarHBondContact O-N 2.72Å; S407-L409 PolarHBondContact O-N 3.06Å; S407-N410 PolarHBondContact O-N 2.94Å; S407-V411 WeakPolarHBondContact O-CG2 3.33Å; S407-V411 PolarHBondContact O-N 2.95Å
408	R	96.6	Very high	95.9	Very high	162 Å²	162	96.2 Å²	96.2	61%	0.611	49%	0.494	S	S	*	.	H	α-helix	trans	-62.7	-40.8	175.2	-71.7	169.4	177.8	-125.4	10	112	E404 L405 D406 V411 A412	E404-R408 WeakPolarHBondContact O-CB 3.17Å; E404-R408 VanDerWaalsContact O-CG 3.3Å; E404-R408 WeakPolarHBondContact O-CG 3.35Å; E404-R408 PolarHBondContact O-N 3.46Å; E404-R408 IonicContact OE1-CZ 3.63Å; E404-R408 IonicContact OE1-NE 2.76Å; E404-R408 PolarHBondContact OE1-NE 3.19Å; E404-R408 IonicContact OE1-NH2 3.85Å; E404-R408 PolarHBondContact OE1-NH2 3.48Å; L405-R408 PolarHBondContact O-N 3.39Å; D406-R408 PolarHBondContact O-N 3.22Å; R408-V411 PolarHBondContact O-N 3.1Å; R408-A412 WeakPolarHBondContact O-CB 3.28Å; R408-A412 PolarHBondContact O-N 3.23Å
409	L	95.5	Very high	96	Very high	112 Å²	112	96.2 Å²	96.2	59%	0.586	49%	0.494	S	S	*	.	H	α-helix	trans	-65.5	-43.4	177.2	179.1	62	0	0	0	111.8	L405 D406 S407 A412 Q413	L405-L409 VanDerWaalsContact O-CB 3.29Å; L405-L409 WeakPolarHBondContact O-CB 3.44Å; L405-L409 PolarHBondContact O-N 2.83Å; D406-L409 PolarHBondContact O-N 2.8Å; S407-L409 PolarHBondContact O-N 3.06Å; L409-A412 PolarHBondContact O-N 2.91Å; L409-Q413 WeakPolarHBondContact O-CB 3.38Å; L409-Q413 PolarHBondContact O-N 2.71Å
410	N	95.9	Very high	96.1	Very high	89 Å²	89	95.9 Å²	95.9	48%	0.476	49%	0.491	S	S	.	.	H	α-helix	trans	-62.3	-43.4	176.5	-76.7	-59.3	0	0	0	111.8	D406 S407 Q413 T414	D406-N410 WeakPolarHBondContact O-CB 3.49Å; D406-N410 PolarHBondContact O-N 2.74Å; D406-N410 PolarHBondContact O-ND2 2.89Å; D406-N410 PolarHBondContact OD2-ND2 3.46Å; S407-N410 PolarHBondContact O-N 2.94Å; N410-Q413 PolarHBondContact O-N 2.73Å; N410-T414 WeakPolarHBondContact O-CG2 3.01Å; N410-T414 PolarHBondContact O-N 2.74Å; N410-T414 PolarHBondContact O-OG1 2.78Å
411	V	96.2	Very high	96.1	Very high	62 Å²	62	93.2 Å²	93.2	38%	0.376	48%	0.484	S	S	.	.	H	α-helix	trans	-60.3	-53.3	174.1	172.1	0	0	0	0	110.7	S407 R408 Q413 T414 E415	S407-V411 WeakPolarHBondContact O-CG2 3.33Å; S407-V411 PolarHBondContact O-N 2.95Å; R408-V411 PolarHBondContact O-N 3.1Å; V411-Q413 VanDerWaalsContact C-N 3.26Å; V411-Q413 PolarHBondContact O-N 3.06Å; V411-T414 PolarHBondContact O-N 3.08Å; V411-T414 PolarHBondContact O-OG1 3.15Å; V411-E415 HydrophobicContact CG1-CG 4.45Å; V411-E415 PolarHBondContact O-N 3.44Å
412	A	94.6	Very high	96.1	Very high	43 Å²	43	89.8 Å²	89.8	36%	0.355	48%	0.479	S	S	.	.	H	α-helix	trans	-58.5	-36.4	179.5	0	0	0	0	0	112.7	R408 L409 E415 V416	R408-A412 WeakPolarHBondContact O-CB 3.28Å; R408-A412 PolarHBondContact O-N 3.23Å; L409-A412 PolarHBondContact O-N 2.91Å; A412-E415 PolarHBondContact O-N 3.06Å; A412-V416 VanDerWaalsContact O-CB 3.31Å; A412-V416 WeakPolarHBondContact O-CB 3.47Å; A412-V416 VanDerWaalsContact O-CG2 3.25Å; A412-V416 WeakPolarHBondContact O-CG2 3.47Å; A412-V416 PolarHBondContact O-N 3.41Å
413	Q	96	Very high	96.1	Very high	89 Å²	89	88.2 Å²	88.2	42%	0.416	47%	0.471	S	S	.	.	H	α-helix	trans	-64.3	-44.3	174	-178.6	62	43.4	0	0	111.7	L409 N410 V411 V416 D417	L409-Q413 WeakPolarHBondContact O-CB 3.38Å; L409-Q413 PolarHBondContact O-N 2.71Å; N410-Q413 PolarHBondContact O-N 2.73Å; V411-Q413 VanDerWaalsContact C-N 3.26Å; V411-Q413 PolarHBondContact O-N 3.06Å; Q413-V416 PolarHBondContact O-N 2.64Å; Q413-D417 VanDerWaalsContact NE2-CG 3.31Å; Q413-D417 PolarHBondContact NE2-OD1 3.14Å; Q413-D417 PolarHBondContact NE2-OD2 3.09Å; Q413-D417 PolarHBondContact O-N 3.19Å
414	T	96.2	Very high	96.1	Very high	92 Å²	92	87.1 Å²	87.1	56%	0.564	47%	0.466	S	S	*	.	H	α-helix	trans	-66.3	-36	176.6	58.5	0	0	0	0	113.2	N410 V411 D417 S418	N410-T414 WeakPolarHBondContact O-CG2 3.01Å; N410-T414 PolarHBondContact O-N 2.74Å; N410-T414 PolarHBondContact O-OG1 2.78Å; V411-T414 PolarHBondContact O-N 3.08Å; V411-T414 PolarHBondContact O-OG1 3.15Å; T414-D417 PolarHBondContact O-N 3.11Å; T414-S418 VanDerWaalsContact O-CB 3.3Å; T414-S418 WeakPolarHBondContact O-CB 3.46Å; T414-S418 PolarHBondContact O-N 3.26Å
415	E	96.4	Very high	96.1	Very high	111 Å²	111	88 Å²	88	52%	0.519	47%	0.47	S	S	.	.	H	α-helix	trans	-65.2	-45.1	172.7	-69.4	178	168	0	0	111.2	V411 A412 D417 S418 H419	V411-E415 HydrophobicContact CG1-CG 4.45Å; V411-E415 PolarHBondContact O-N 3.44Å; A412-E415 PolarHBondContact O-N 3.06Å; E415-D417 VanDerWaalsContact C-N 3.35Å; E415-D417 PolarHBondContact O-N 3.26Å; E415-S418 WeakPolarHBondContact O-CB 3.48Å; E415-S418 PolarHBondContact O-N 3.4Å; E415-H419 WeakPolarHBondContact O-CB 3.48Å; E415-H419 PolarHBondContact O-N 2.99Å
416	V	97.2	Very high	96.2	Very high	69 Å²	69	88.6 Å²	88.6	42%	0.418	47%	0.471	S	S	.	.	H	α-helix	trans	-61	-40.7	175.8	161.2	0	0	0	0	111.9	A412 Q413 H419 K420	A412-V416 VanDerWaalsContact O-CB 3.31Å; A412-V416 WeakPolarHBondContact O-CB 3.47Å; A412-V416 VanDerWaalsContact O-CG2 3.25Å; A412-V416 WeakPolarHBondContact O-CG2 3.47Å; A412-V416 PolarHBondContact O-N 3.41Å; Q413-V416 PolarHBondContact O-N 2.64Å; V416-H419 PolarHBondContact O-N 2.9Å; V416-K420 VanDerWaalsContact CG1-CE 3.47Å; V416-K420 WeakPolarHBondContact O-CG 3.4Å; V416-K420 PolarHBondContact O-N 3.23Å
417	D	96.3	Very high	96.2	Very high	65 Å²	65	90.7 Å²	90.7	35%	0.348	47%	0.473	S	S	.	.	H	α-helix	trans	-73.5	-35.1	177.8	-70.8	-29.1	0	0	0	112.6	Q413 T414 E415 H419 K420 T421	Q413-D417 VanDerWaalsContact NE2-CG 3.31Å; Q413-D417 PolarHBondContact NE2-OD1 3.14Å; Q413-D417 PolarHBondContact NE2-OD2 3.09Å; Q413-D417 PolarHBondContact O-N 3.19Å; T414-D417 PolarHBondContact O-N 3.11Å; E415-D417 VanDerWaalsContact C-N 3.35Å; E415-D417 PolarHBondContact O-N 3.26Å; D417-H419 VanDerWaalsContact C-N 3.35Å; D417-K420 WeakPolarHBondContact O-CB 3.15Å; D417-K420 PolarHBondContact O-N 3.44Å; D417-K420 WeakPolarHBondContact OD1-CD 3.39Å; D417-K420 WeakPolarHBondContact OD1-CE 3.32Å; D417-K420 IonicContact OD1-NZ 3.86Å; D417-K420 PolarHBondContact OD1-NZ 3.14Å; D417-T421 PolarHBondContact O-N 2.78Å; D417-T421 PolarHBondContact O-OG1 2.88Å
418	S	95.7	Very high	96.2	Very high	70 Å²	70	91.3 Å²	91.3	49%	0.49	48%	0.477	S	S	.	.	H	α-helix	trans	-61.9	-39.9	168.7	-176.4	0	0	0	0	112.3	T414 E415 T421 S422	T414-S418 VanDerWaalsContact O-CB 3.3Å; T414-S418 WeakPolarHBondContact O-CB 3.46Å; T414-S418 PolarHBondContact O-N 3.26Å; E415-S418 WeakPolarHBondContact O-CB 3.48Å; E415-S418 PolarHBondContact O-N 3.4Å; S418-T421 PolarHBondContact O-N 3.42Å; S418-T421 PolarHBondContact O-OG1 3.26Å; S418-S422 WeakPolarHBondContact O-CB 3.35Å; S418-S422 PolarHBondContact O-N 2.98Å
419	H	97	Very high	96.2	Very high	124 Å²	124	88.6 Å²	88.6	57%	0.574	47%	0.47	S	S	*	.	H	α-helix	trans	-67.2	-36.7	172.9	-71.7	178.3	0	0	0	112	E415 V416 D417 I423	E415-H419 WeakPolarHBondContact O-CB 3.48Å; E415-H419 PolarHBondContact O-N 2.99Å; V416-H419 PolarHBondContact O-N 2.9Å; D417-H419 VanDerWaalsContact C-N 3.35Å; H419-I423 WeakPolarHBondContact O-CB 3.22Å; H419-I423 WeakPolarHBondContact O-CD1 3.45Å; H419-I423 WeakPolarHBondContact O-CG1 3.35Å; H419-I423 PolarHBondContact O-N 2.92Å
420	K	97.2	Very high	96.3	Very high	99 Å²	99	89.3 Å²	89.3	43%	0.43	46%	0.464	S	S	.	.	H	α-helix	trans	-63.4	-43.7	173.8	-71.8	168.4	-161.5	158.5	0	112.4	V416 D417 I423 N424	V416-K420 VanDerWaalsContact CG1-CE 3.47Å; V416-K420 WeakPolarHBondContact O-CG 3.4Å; V416-K420 PolarHBondContact O-N 3.23Å; D417-K420 WeakPolarHBondContact O-CB 3.15Å; D417-K420 PolarHBondContact O-N 3.44Å; D417-K420 WeakPolarHBondContact OD1-CD 3.39Å; D417-K420 WeakPolarHBondContact OD1-CE 3.32Å; D417-K420 IonicContact OD1-NZ 3.86Å; D417-K420 PolarHBondContact OD1-NZ 3.14Å; K420-I423 PolarHBondContact O-N 3.4Å; K420-N424 WeakPolarHBondContact O-CB 3.39Å; K420-N424 VanDerWaalsContact O-CG 3.3Å; K420-N424 PolarHBondContact O-N 3.35Å; K420-N424 PolarHBondContact O-ND2 2.93Å
421	T	96.5	Very high	96.3	Very high	83 Å²	83	88 Å²	88	51%	0.509	46%	0.457	S	S	.	.	H	α-helix	trans	-65.4	-46.1	177.9	52.5	0	0	0	0	111	D417 S418 I423 N424 E425	D417-T421 PolarHBondContact O-N 2.78Å; D417-T421 PolarHBondContact O-OG1 2.88Å; S418-T421 PolarHBondContact O-N 3.42Å; S418-T421 PolarHBondContact O-OG1 3.26Å; T421-I423 PolarHBondContact O-N 3.39Å; T421-N424 PolarHBondContact O-N 2.85Å; T421-N424 VanDerWaalsContact O-N 3.11Å; T421-E425 PolarHBondContact O-N 2.79Å
422	S	96.8	Very high	96.4	Very high	55 Å²	55	86.5 Å²	86.5	39%	0.385	45%	0.451	S	S	.	.	H	α-helix	trans	-56.9	-44.8	174	-178.9	0	0	0	0	112.9	S418 N424 E425 M426	S418-S422 WeakPolarHBondContact O-CB 3.35Å; S418-S422 PolarHBondContact O-N 2.98Å; S422-N424 VanDerWaalsContact C-N 3.34Å; S422-N424 PolarHBondContact O-N 2.85Å; S422-E425 PolarHBondContact O-N 3.19Å; S422-M426 WeakPolarHBondContact O-CG 3.42Å; S422-M426 PolarHBondContact O-N 2.93Å
423	I	95.7	Very high	96.5	Very high	73 Å²	73	91.7 Å²	91.7	37%	0.374	46%	0.463	S	S	.	.	H	α-helix	trans	-62.2	-39.9	175.3	-74	165.7	0	0	0	111.7	H419 K420 T421 M426 R427	H419-I423 WeakPolarHBondContact O-CB 3.22Å; H419-I423 WeakPolarHBondContact O-CD1 3.45Å; H419-I423 WeakPolarHBondContact O-CG1 3.35Å; H419-I423 PolarHBondContact O-N 2.92Å; K420-I423 PolarHBondContact O-N 3.4Å; T421-I423 PolarHBondContact O-N 3.39Å; I423-M426 HydrophobicContact CG1-CE 4.18Å; I423-M426 PolarHBondContact O-N 3.47Å; I423-R427 VanDerWaalsContact O-CG 3.27Å; I423-R427 WeakPolarHBondContact O-CG 3.47Å; I423-R427 PolarHBondContact O-N 2.75Å
424	N	95.3	Very high	96.5	Very high	87 Å²	87	92 Å²	92	47%	0.465	46%	0.464	S	S	.	.	H	α-helix	trans	-72.2	-34.7	178.3	-71.5	-21.6	0	0	0	112.6	K420 T421 S422 R427 S428	K420-N424 WeakPolarHBondContact O-CB 3.39Å; K420-N424 VanDerWaalsContact O-CG 3.3Å; K420-N424 PolarHBondContact O-N 3.35Å; K420-N424 PolarHBondContact O-ND2 2.93Å; T421-N424 PolarHBondContact O-N 2.85Å; T421-N424 VanDerWaalsContact O-N 3.11Å; S422-N424 VanDerWaalsContact C-N 3.34Å; S422-N424 PolarHBondContact O-N 2.85Å; N424-R427 PolarHBondContact O-N 2.74Å; N424-R427 PolarHBondContact OD1-NH1 2.65Å; N424-S428 WeakPolarHBondContact O-CB 3.38Å; N424-S428 PolarHBondContact O-N 3.02Å
425	E	96.5	Very high	96.5	Very high	108 Å²	108	93.2 Å²	93.2	51%	0.505	46%	0.459	S	S	.	.	H	α-helix	trans	-62.2	-45.1	168.7	-78.4	-170.6	-141.3	0	0	112.2	T421 S422 R427 S428 K429	T421-E425 PolarHBondContact O-N 2.79Å; S422-E425 PolarHBondContact O-N 3.19Å; E425-R427 VanDerWaalsContact C-N 3.32Å; E425-R427 PolarHBondContact O-N 3.29Å; E425-S428 PolarHBondContact O-N 2.87Å; E425-K429 WeakPolarHBondContact O-CB 3.46Å; E425-K429 WeakPolarHBondContact O-CD 3.14Å; E425-K429 WeakPolarHBondContact O-CG 3.4Å; E425-K429 PolarHBondContact O-N 3.1Å; E425-K429 IonicContact OE2-NZ 3.35Å; E425-K429 PolarHBondContact OE2-NZ 3.42Å
426	M	95.8	Very high	96.6	Very high	110 Å²	110	92 Å²	92	54%	0.542	46%	0.456	S	S	.	.	H	α-helix	trans	-63.8	-38	177.9	-73.6	-172.1	-72.4	0	0	111.9	S422 I423 K429 R430	S422-M426 WeakPolarHBondContact O-CG 3.42Å; S422-M426 PolarHBondContact O-N 2.93Å; I423-M426 HydrophobicContact CG1-CE 4.18Å; I423-M426 PolarHBondContact O-N 3.47Å; M426-K429 PolarHBondContact O-N 2.88Å; M426-R430 WeakPolarHBondContact O-CB 3.43Å; M426-R430 PolarHBondContact O-N 3.18Å
427	R	95.9	Very high	96.5	Very high	134 Å²	134	93.3 Å²	93.3	51%	0.506	46%	0.459	S	S	.	.	H	α-helix	trans	-60.9	-50.4	170.6	-73.5	164	175	172.5	-5.4	111.5	I423 N424 E425 K429 R430 D431	I423-R427 VanDerWaalsContact O-CG 3.27Å; I423-R427 WeakPolarHBondContact O-CG 3.47Å; I423-R427 PolarHBondContact O-N 2.75Å; N424-R427 PolarHBondContact O-N 2.74Å; N424-R427 PolarHBondContact OD1-NH1 2.65Å; E425-R427 VanDerWaalsContact C-N 3.32Å; E425-R427 PolarHBondContact O-N 3.29Å; R427-K429 VanDerWaalsContact C-N 3.31Å; R427-K429 PolarHBondContact O-N 3.07Å; R427-R430 WeakPolarHBondContact O-CB 3.31Å; R427-R430 PolarHBondContact O-N 2.83Å; R427-R430 VanDerWaalsContact O-N 3.14Å; R427-D431 WeakPolarHBondContact O-CB 3.47Å; R427-D431 PolarHBondContact O-N 3.49Å; R427-D431 VanDerWaalsContact O-OD1 3.12Å
428	S	96.4	Very high	96.5	Very high	81 Å²	81	97.2 Å²	97.2	57%	0.566	47%	0.469	S	S	*	.	H	α-helix	trans	-57.9	-42	177.9	-175.3	0	0	0	0	112.7	N424 E425 D431 A432	N424-S428 WeakPolarHBondContact O-CB 3.38Å; N424-S428 PolarHBondContact O-N 3.02Å; E425-S428 PolarHBondContact O-N 2.87Å; S428-D431 PolarHBondContact O-N 3.2Å; S428-A432 PolarHBondContact O-N 2.97Å
429	K	97.2	Very high	96.5	Very high	105 Å²	105	97.3 Å²	97.3	46%	0.457	46%	0.464	S	S	.	.	H	α-helix	trans	-64.5	-43.1	175	-71.7	159.8	-177.1	156.7	0	112.1	E425 M426 R427 A432 Y433	E425-K429 WeakPolarHBondContact O-CB 3.46Å; E425-K429 WeakPolarHBondContact O-CD 3.14Å; E425-K429 WeakPolarHBondContact O-CG 3.4Å; E425-K429 PolarHBondContact O-N 3.1Å; E425-K429 IonicContact OE2-NZ 3.35Å; E425-K429 PolarHBondContact OE2-NZ 3.42Å; M426-K429 PolarHBondContact O-N 2.88Å; R427-K429 VanDerWaalsContact C-N 3.31Å; R427-K429 PolarHBondContact O-N 3.07Å; K429-A432 PolarHBondContact O-N 2.84Å; K429-Y433 VanDerWaalsContact O-CD2 3.29Å; K429-Y433 WeakPolarHBondContact O-CD2 3.38Å; K429-Y433 PolarHBondContact O-N 3.38Å; K429-Y433 VanDerWaalsContact O-N 3.09Å
430	R	97.3	Very high	96.5	Very high	127 Å²	127	96.7 Å²	96.7	48%	0.479	46%	0.463	S	S	.	.	H	α-helix	trans	-59.9	-48.5	172.3	178.2	-157.8	65.9	170.2	-0.5	111.2	M426 R427 A432 Y433 E434	M426-R430 WeakPolarHBondContact O-CB 3.43Å; M426-R430 PolarHBondContact O-N 3.18Å; R427-R430 WeakPolarHBondContact O-CB 3.31Å; R427-R430 PolarHBondContact O-N 2.83Å; R427-R430 VanDerWaalsContact O-N 3.14Å; R430-A432 PolarHBondContact O-N 3.21Å; R430-Y433 PolarHBondContact O-N 3.4Å; R430-Y433 VanDerWaalsContact O-N 3.09Å; R430-E434 WeakPolarHBondContact CD-OE1 3.32Å; R430-E434 HydrophobicContact CG-CG 4.2Å; R430-E434 VanDerWaalsContact CG-OE1 3.25Å; R430-E434 WeakPolarHBondContact CG-OE1 3.3Å; R430-E434 IonicContact NE-OE1 3Å; R430-E434 WeakPolarHBondContact O-CB 3.42Å; R430-E434 WeakPolarHBondContact O-CG 3.48Å; R430-E434 PolarHBondContact O-N 3.3Å
431	D	97	Very high	96.4	Very high	60 Å²	60	95.4 Å²	95.4	32%	0.321	46%	0.464	S	S	.	.	H	α-helix	trans	-67.7	-22.7	-176.2	-60.1	-6	0	0	0	112	R427 S428 R435	R427-D431 WeakPolarHBondContact O-CB 3.47Å; R427-D431 PolarHBondContact O-N 3.49Å; R427-D431 VanDerWaalsContact O-OD1 3.12Å; S428-D431 PolarHBondContact O-N 3.2Å; D431-R435 PolarHBondContact O-N 3.12Å
432	A	96.6	Very high	96.4	Very high	31 Å²	31	98.4 Å²	98.4	26%	0.256	47%	0.472	S	S	.	.	H	α-helix	trans	-70.8	-55.6	165.6	0	0	0	0	0	111.9	S428 K429 R430 E434 R435 D436	S428-A432 PolarHBondContact O-N 2.97Å; K429-A432 PolarHBondContact O-N 2.84Å; R430-A432 PolarHBondContact O-N 3.21Å; A432-E434 VanDerWaalsContact C-N 3.29Å; A432-E434 PolarHBondContact O-N 3.03Å; A432-R435 WeakPolarHBondContact O-CA 3.31Å; A432-R435 VanDerWaalsContact O-CB 3.27Å; A432-R435 WeakPolarHBondContact O-CB 3.5Å; A432-R435 PolarHBondContact O-N 3.03Å; A432-D436 VanDerWaalsContact O-CG 3.31Å; A432-D436 PolarHBondContact O-N 2.89Å
433	Y	96.6	Very high	96.4	Very high	152 Å²	152	102.2 Å²	102.2	60%	0.596	48%	0.483	S	S	*	.	H	α-helix	trans	-60.3	-36.2	178.5	-58.8	-36.5	0	0	0	113	K429 R430 R435 D436 I437	K429-Y433 VanDerWaalsContact O-CD2 3.29Å; K429-Y433 WeakPolarHBondContact O-CD2 3.38Å; K429-Y433 PolarHBondContact O-N 3.38Å; K429-Y433 VanDerWaalsContact O-N 3.09Å; R430-Y433 PolarHBondContact O-N 3.4Å; R430-Y433 VanDerWaalsContact O-N 3.09Å; Y433-R435 PolarHBondContact O-N 3.23Å; Y433-D436 PolarHBondContact O-N 3.03Å; Y433-I437 VanDerWaalsContact O-CB 3.29Å; Y433-I437 WeakPolarHBondContact O-CB 3.29Å; Y433-I437 WeakPolarHBondContact O-CD1 3.47Å; Y433-I437 WeakPolarHBondContact O-CG1 3.48Å; Y433-I437 PolarHBondContact O-N 2.98Å
434	E	96.4	Very high	96.4	Very high	96 Å²	96	102 Å²	102	45%	0.449	49%	0.485	S	S	.	.	H	α-helix	trans	-66.7	-19.9	173.4	-75.5	-178.4	-164.4	0	0	113	R430 A432 R438	R430-E434 WeakPolarHBondContact CD-OE1 3.32Å; R430-E434 HydrophobicContact CG-CG 4.2Å; R430-E434 VanDerWaalsContact CG-OE1 3.25Å; R430-E434 WeakPolarHBondContact CG-OE1 3.3Å; R430-E434 IonicContact NE-OE1 3Å; R430-E434 WeakPolarHBondContact O-CB 3.42Å; R430-E434 WeakPolarHBondContact O-CG 3.48Å; R430-E434 PolarHBondContact O-N 3.3Å; A432-E434 VanDerWaalsContact C-N 3.29Å; A432-E434 PolarHBondContact O-N 3.03Å; E434-R438 WeakPolarHBondContact O-CG 3.45Å; E434-R438 PolarHBondContact O-NE 3.19Å; E434-R438 PolarHBondContact O-NH2 3.31Å
435	R	97.2	Very high	96.4	Very high	118 Å²	118	102.6 Å²	102.6	45%	0.445	49%	0.485	S	S	.	.	H	α-helix	trans	-81.1	-53.9	168.2	-167.8	-173.2	-56.2	94.7	5.8	110.3	D431 A432 Y433 I437 R438 D439	D431-R435 PolarHBondContact O-N 3.12Å; A432-R435 WeakPolarHBondContact O-CA 3.31Å; A432-R435 VanDerWaalsContact O-CB 3.27Å; A432-R435 WeakPolarHBondContact O-CB 3.5Å; A432-R435 PolarHBondContact O-N 3.03Å; Y433-R435 PolarHBondContact O-N 3.23Å; R435-I437 PolarHBondContact O-N 3.39Å; R435-R438 WeakPolarHBondContact O-CA 3.45Å; R435-R438 WeakPolarHBondContact O-CB 3.28Å; R435-R438 PolarHBondContact O-N 3Å; R435-D439 PolarHBondContact O-N 3.43Å
436	D	97.1	Very high	96.3	Very high	86 Å²	86	100 Å²	100	46%	0.46	48%	0.482	S	S	.	.	H	α-helix	trans	-56.5	-38	-177.9	-54.7	-15.7	0	0	0	111.9	A432 Y433 M440	A432-D436 VanDerWaalsContact O-CG 3.31Å; A432-D436 PolarHBondContact O-N 2.89Å; Y433-D436 PolarHBondContact O-N 3.03Å; D436-M440 WeakPolarHBondContact O-CB 3.49Å; D436-M440 PolarHBondContact O-N 2.87Å
437	I	95.3	Very high	96.2	Very high	96 Å²	96	97.5 Å²	97.5	49%	0.492	48%	0.48	S	S	.	.	H	α-helix	trans	-66	-38.7	174.4	-71	166.3	0	0	0	112.1	Y433 R435 T441	Y433-I437 VanDerWaalsContact O-CB 3.29Å; Y433-I437 WeakPolarHBondContact O-CB 3.29Å; Y433-I437 WeakPolarHBondContact O-CD1 3.47Å; Y433-I437 WeakPolarHBondContact O-CG1 3.48Å; Y433-I437 PolarHBondContact O-N 2.98Å; R435-I437 PolarHBondContact O-N 3.39Å; I437-T441 VanDerWaalsContact O-CB 3.3Å; I437-T441 WeakPolarHBondContact O-CB 3.4Å; I437-T441 PolarHBondContact O-N 2.93Å; I437-T441 PolarHBondContact O-OG1 3.04Å
438	R	96.6	Very high	96.2	Very high	146 Å²	146	96 Å²	96	55%	0.551	48%	0.477	S	S	*	.	H	α-helix	trans	-67.8	-50.1	175.5	-79.4	179	-73.2	130	-4.6	110.6	E434 R435 M440 T441 E442	E434-R438 WeakPolarHBondContact O-CG 3.45Å; E434-R438 PolarHBondContact O-NE 3.19Å; E434-R438 PolarHBondContact O-NH2 3.31Å; R435-R438 WeakPolarHBondContact O-CA 3.45Å; R435-R438 WeakPolarHBondContact O-CB 3.28Å; R435-R438 PolarHBondContact O-N 3Å; R438-M440 VanDerWaalsContact C-N 3.27Å; R438-M440 PolarHBondContact O-N 3.32Å; R438-T441 WeakPolarHBondContact O-CA 3.13Å; R438-T441 WeakPolarHBondContact O-CB 3.34Å; R438-T441 PolarHBondContact O-N 2.97Å; R438-E442 PolarHBondContact O-N 3.32Å
439	D	96.5	Very high	96.1	Very high	72 Å²	72	94.9 Å²	94.9	39%	0.385	47%	0.472	S	S	.	.	H	α-helix	trans	-62.4	-35.8	-178	-61.4	10.8	0	0	0	111.2	R435 Q443	R435-D439 PolarHBondContact O-N 3.43Å; D439-Q443 WeakPolarHBondContact O-CG 3.18Å; D439-Q443 PolarHBondContact O-N 3.43Å; D439-Q443 VanDerWaalsContact O-N 3.16Å; D439-Q443 PolarHBondContact O-NE2 2.9Å
440	M	96	Very high	96	Very high	112 Å²	112	96 Å²	96	55%	0.552	48%	0.479	S	S	*	.	H	α-helix	trans	-73.8	-35.3	172.6	-175.7	174.1	61	0	0	112.5	D436 R438 Q443 V444	D436-M440 WeakPolarHBondContact O-CB 3.49Å; D436-M440 PolarHBondContact O-N 2.87Å; R438-M440 VanDerWaalsContact C-N 3.27Å; R438-M440 PolarHBondContact O-N 3.32Å; M440-Q443 PolarHBondContact O-N 2.83Å; M440-V444 WeakPolarHBondContact O-CB 3.41Å; M440-V444 WeakPolarHBondContact O-CG2 3.46Å; M440-V444 PolarHBondContact O-N 3.17Å
441	T	96.4	Very high	95.8	Very high	72 Å²	72	95 Å²	95	44%	0.442	48%	0.482	S	S	.	.	H	α-helix	trans	-64.7	-43	174.4	-60.5	0	0	0	0	110.9	I437 R438 V444 E445	I437-T441 VanDerWaalsContact O-CB 3.3Å; I437-T441 WeakPolarHBondContact O-CB 3.4Å; I437-T441 PolarHBondContact O-N 2.93Å; I437-T441 PolarHBondContact O-OG1 3.04Å; R438-T441 WeakPolarHBondContact O-CA 3.13Å; R438-T441 WeakPolarHBondContact O-CB 3.34Å; R438-T441 PolarHBondContact O-N 2.97Å; T441-V444 PolarHBondContact O-N 3.36Å; T441-E445 PolarHBondContact O-N 3.11Å
442	E	96.2	Very high	95.7	Very high	146 Å²	146	94.5 Å²	94.5	68%	0.682	48%	0.482	S	S	*	.	H	α-helix	trans	-61.8	-44.4	175.4	-174.8	171.1	-177.8	0	0	111.5	R438 V444 E445 A446	R438-E442 PolarHBondContact O-N 3.32Å; E442-V444 VanDerWaalsContact C-N 3.31Å; E442-V444 PolarHBondContact O-N 3.26Å; E442-E445 PolarHBondContact O-N 3.47Å; E442-A446 WeakPolarHBondContact O-CB 3.47Å; E442-A446 PolarHBondContact O-N 3.24Å
443	Q	96	Very high	95.5	Very high	134 Å²	134	97.8 Å²	97.8	63%	0.626	49%	0.491	S	S	*	.	H	α-helix	trans	-59.9	-38.3	172.8	-75.9	169.7	71.6	0	0	112.8	D439 M440 A447	D439-Q443 WeakPolarHBondContact O-CG 3.18Å; D439-Q443 PolarHBondContact O-N 3.43Å; D439-Q443 VanDerWaalsContact O-N 3.16Å; D439-Q443 PolarHBondContact O-NE2 2.9Å; M440-Q443 PolarHBondContact O-N 2.83Å; Q443-A447 VanDerWaalsContact O-CB 3.29Å; Q443-A447 WeakPolarHBondContact O-CB 3.37Å; Q443-A447 PolarHBondContact O-N 3.2Å
444	V	95.2	Very high	95.2	Very high	69 Å²	69	97.1 Å²	97.1	42%	0.418	49%	0.488	S	S	.	.	H	α-helix	trans	-68.4	-41.7	176.8	165.1	0	0	0	0	111.8	M440 T441 E442 A447 K448	M440-V444 WeakPolarHBondContact O-CB 3.41Å; M440-V444 WeakPolarHBondContact O-CG2 3.46Å; M440-V444 PolarHBondContact O-N 3.17Å; T441-V444 PolarHBondContact O-N 3.36Å; E442-V444 VanDerWaalsContact C-N 3.31Å; E442-V444 PolarHBondContact O-N 3.26Å; V444-A447 PolarHBondContact O-N 3.4Å; V444-K448 HydrophobicContact CG1-CD 4.12Å; V444-K448 WeakPolarHBondContact O-CB 3.32Å; V444-K448 WeakPolarHBondContact O-CD 3.34Å; V444-K448 VanDerWaalsContact O-CG 3.24Å; V444-K448 WeakPolarHBondContact O-CG 3.3Å; V444-K448 PolarHBondContact O-N 3.42Å
445	E	95.4	Very high	94.9	Very high	99 Å²	99	97.2 Å²	97.2	46%	0.463	49%	0.488	S	S	.	.	H	α-helix	trans	-69.4	-36.3	174.9	-64.7	-47.2	131.4	0	0	112.4	T441 E442 K448 A449	T441-E445 PolarHBondContact O-N 3.11Å; E442-E445 PolarHBondContact O-N 3.47Å; E445-K448 PolarHBondContact O-N 3.49Å; E445-K448 IonicContact OE1-NZ 2.67Å; E445-K448 PolarHBondContact OE1-NZ 3.44Å; E445-K448 VanDerWaalsContact OE2-CD 3.29Å; E445-K448 WeakPolarHBondContact OE2-CD 3.35Å; E445-K448 IonicContact OE2-NZ 3.42Å; E445-A449 WeakPolarHBondContact O-CB 3.33Å; E445-A449 PolarHBondContact O-N 3.07Å
446	A	95.4	Very high	94.7	Very high	53 Å²	53	98 Å²	98	44%	0.438	49%	0.491	S	S	.	.	H	α-helix	trans	-62.4	-47.1	171.9	0	0	0	0	0	111.8	E442 K448 A449 E450	E442-A446 WeakPolarHBondContact O-CB 3.47Å; E442-A446 PolarHBondContact O-N 3.24Å; A446-K448 VanDerWaalsContact C-N 3.34Å; A446-K448 PolarHBondContact O-N 3.03Å; A446-A449 WeakPolarHBondContact O-CB 3.37Å; A446-A449 PolarHBondContact O-N 3.41Å; A446-A449 VanDerWaalsContact O-N 3.13Å; A446-E450 PolarHBondContact O-N 3.43Å
447	A	94.1	Very high	94.3	Very high	59 Å²	59	97.2 Å²	97.2	49%	0.488	49%	0.485	S	S	.	.	H	α-helix	trans	-64.5	-35.5	176.7	0	0	0	0	0	112.7	Q443 V444 L451	Q443-A447 VanDerWaalsContact O-CB 3.29Å; Q443-A447 WeakPolarHBondContact O-CB 3.37Å; Q443-A447 PolarHBondContact O-N 3.2Å; V444-A447 PolarHBondContact O-N 3.4Å; A447-L451 WeakPolarHBondContact O-CB 3.18Å; A447-L451 PolarHBondContact O-N 2.93Å
448	K	94.9	Very high	94	Very high	103 Å²	103	100.2 Å²	100.2	45%	0.448	49%	0.494	S	S	.	.	H	α-helix	trans	-63.9	-44.6	169.7	-75.9	164.4	178.1	177.3	0	111.4	V444 E445 A446 E450 L451 T452	V444-K448 HydrophobicContact CG1-CD 4.12Å; V444-K448 WeakPolarHBondContact O-CB 3.32Å; V444-K448 WeakPolarHBondContact O-CD 3.34Å; V444-K448 VanDerWaalsContact O-CG 3.24Å; V444-K448 WeakPolarHBondContact O-CG 3.3Å; V444-K448 PolarHBondContact O-N 3.42Å; E445-K448 PolarHBondContact O-N 3.49Å; E445-K448 IonicContact OE1-NZ 2.67Å; E445-K448 PolarHBondContact OE1-NZ 3.44Å; E445-K448 VanDerWaalsContact OE2-CD 3.29Å; E445-K448 WeakPolarHBondContact OE2-CD 3.35Å; E445-K448 IonicContact OE2-NZ 3.42Å; A446-K448 VanDerWaalsContact C-N 3.34Å; A446-K448 PolarHBondContact O-N 3.03Å; K448-E450 PolarHBondContact O-N 3.14Å; K448-L451 PolarHBondContact O-N 2.93Å; K448-T452 WeakPolarHBondContact O-CG2 3.49Å; K448-T452 PolarHBondContact O-N 3.42Å
449	A	95.1	Very high	93.6	Very high	56 Å²	56	99 Å²	99	46%	0.463	50%	0.495	S	S	.	.	H	α-helix	trans	-59.7	-47.7	178.2	0	0	0	0	0	111.1	E445 A446 L451 T452 H453	E445-A449 WeakPolarHBondContact O-CB 3.33Å; E445-A449 PolarHBondContact O-N 3.07Å; A446-A449 WeakPolarHBondContact O-CB 3.37Å; A446-A449 PolarHBondContact O-N 3.41Å; A446-A449 VanDerWaalsContact O-N 3.13Å; A449-L451 PolarHBondContact O-N 2.87Å; A449-T452 PolarHBondContact O-N 3.3Å; A449-T452 PolarHBondContact O-OG1 3.4Å; A449-H453 PolarHBondContact O-N 3.35Å
450	E	94.4	Very high	93.1	Very high	130 Å²	130	101 Å²	101	61%	0.607	50%	0.502	S	S	*	.	H	α-helix	trans	-58.2	-45.1	172.1	-73.5	-165.2	-175.1	0	0	112.4	A446 K448 T452 H453 W454	A446-E450 PolarHBondContact O-N 3.43Å; K448-E450 PolarHBondContact O-N 3.14Å; E450-T452 VanDerWaalsContact C-N 3.31Å; E450-T452 PolarHBondContact O-N 3.1Å; E450-H453 WeakPolarHBondContact O-CA 3.32Å; E450-H453 VanDerWaalsContact O-CB 3.32Å; E450-H453 WeakPolarHBondContact O-CB 3.33Å; E450-H453 PolarHBondContact O-N 2.95Å; E450-W454 PolarHBondContact O-N 3.33Å
451	L	93.3	Very high	92.3	Very high	104 Å²	104	99.3 Å²	99.3	55%	0.545	50%	0.495	S	S	.	.	H	α-helix	trans	-58.5	-43.7	177.6	-179.4	60.5	0	0	0	111.4	A447 K448 A449 H453 W454 Q455	A447-L451 WeakPolarHBondContact O-CB 3.18Å; A447-L451 PolarHBondContact O-N 2.93Å; K448-L451 PolarHBondContact O-N 2.93Å; A449-L451 PolarHBondContact O-N 2.87Å; L451-H453 VanDerWaalsContact C-N 3.32Å; L451-H453 PolarHBondContact O-N 3.37Å; L451-W454 PolarHBondContact O-N 2.97Å; L451-Q455 WeakPolarHBondContact O-CB 3.31Å; L451-Q455 VanDerWaalsContact O-CG 3.27Å; L451-Q455 WeakPolarHBondContact O-CG 3.48Å; L451-Q455 PolarHBondContact O-N 3.23Å
452	T	94.1	Very high	91.6	Very high	50 Å²	50	99 Å²	99	31%	0.307	50%	0.495	S	S	.	.	H	α-helix	trans	-66.8	-32.1	175	71.9	0	0	0	0	112.6	K448 A449 E450 R456	K448-T452 WeakPolarHBondContact O-CG2 3.49Å; K448-T452 PolarHBondContact O-N 3.42Å; A449-T452 PolarHBondContact O-N 3.3Å; A449-T452 PolarHBondContact O-OG1 3.4Å; E450-T452 VanDerWaalsContact C-N 3.31Å; E450-T452 PolarHBondContact O-N 3.1Å; T452-R456 WeakPolarHBondContact O-CG 3.43Å; T452-R456 PolarHBondContact O-N 3.08Å; T452-R456 VanDerWaalsContact O-N 3.09Å; T452-R456 PolarHBondContact O-NH1 3.38Å; T452-R456 PolarHBondContact OG1-NH1 3.27Å; T452-R456 PolarHBondContact OG1-NH2 3.21Å
453	H	93	Very high	90.9	Very high	100 Å²	100	98 Å²	98	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-60.9	-55.4	173.8	175.9	-80.1	0	0	0	110.3	A449 E450 L451 Q455 R456 E457	A449-H453 PolarHBondContact O-N 3.35Å; E450-H453 WeakPolarHBondContact O-CA 3.32Å; E450-H453 VanDerWaalsContact O-CB 3.32Å; E450-H453 WeakPolarHBondContact O-CB 3.33Å; E450-H453 PolarHBondContact O-N 2.95Å; L451-H453 VanDerWaalsContact C-N 3.32Å; L451-H453 PolarHBondContact O-N 3.37Å; H453-Q455 VanDerWaalsContact C-N 3.28Å; H453-Q455 PolarHBondContact O-N 3.35Å; H453-R456 PolarHBondContact O-N 2.76Å; H453-R456 VanDerWaalsContact O-N 3.17Å; H453-E457 IonicContact CE1-OE2 2.83Å; H453-E457 PolarHBondContact CE1-OE2 2.87Å; H453-E457 IonicContact ND1-OE2 2.77Å; H453-E457 PolarHBondContact O-N 3.46Å
454	W	89.9	Confident	89.9	Confident	139 Å²	139	99.6 Å²	99.6	53%	0.527	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-30	179.6	-67.1	113.3	0	0	0	113.3	E450 L451 E457 K458	E450-W454 PolarHBondContact O-N 3.33Å; L451-W454 PolarHBondContact O-N 2.97Å; W454-E457 VanDerWaalsContact CE3-OE2 3.29Å; W454-E457 WeakPolarHBondContact CZ3-OE2 3.44Å; W454-K458 VanDerWaalsContact O-CB 3.26Å; W454-K458 WeakPolarHBondContact O-CB 3.44Å; W454-K458 PolarHBondContact O-N 3.26Å
455	Q	91.7	Very high	88.7	Confident	97 Å²	97	103.2 Å²	103.2	45%	0.453	51%	0.509	S	S	.	.	H	α-helix	trans	-63.9	-50.6	171	-76.9	171.8	-39.4	0	0	111.9	L451 H453 E457 K458 E459	L451-Q455 WeakPolarHBondContact O-CB 3.31Å; L451-Q455 VanDerWaalsContact O-CG 3.27Å; L451-Q455 WeakPolarHBondContact O-CG 3.48Å; L451-Q455 PolarHBondContact O-N 3.23Å; H453-Q455 VanDerWaalsContact C-N 3.28Å; H453-Q455 PolarHBondContact O-N 3.35Å; Q455-E457 VanDerWaalsContact C-N 3.33Å; Q455-E457 PolarHBondContact O-N 2.8Å; Q455-K458 WeakPolarHBondContact O-CB 3.35Å; Q455-K458 PolarHBondContact O-N 3.12Å; Q455-E459 WeakPolarHBondContact O-CG 3.4Å; Q455-E459 PolarHBondContact O-N 3.24Å
456	R	92	Very high	87.8	Confident	134 Å²	134	102.7 Å²	102.7	51%	0.506	52%	0.522	S	S	.	.	H	α-helix	trans	-61.1	-40.7	177	-67.4	178.5	-157.8	93	-2.8	111.9	T452 H453 E459 Q460	T452-R456 WeakPolarHBondContact O-CG 3.43Å; T452-R456 PolarHBondContact O-N 3.08Å; T452-R456 VanDerWaalsContact O-N 3.09Å; T452-R456 PolarHBondContact O-NH1 3.38Å; T452-R456 PolarHBondContact OG1-NH1 3.27Å; T452-R456 PolarHBondContact OG1-NH2 3.21Å; H453-R456 PolarHBondContact O-N 2.76Å; H453-R456 VanDerWaalsContact O-N 3.17Å; R456-E459 PolarHBondContact O-N 3.48Å; R456-Q460 WeakPolarHBondContact O-CG 3.4Å; R456-Q460 PolarHBondContact O-N 3.38Å
457	E	89.4	Confident	86.7	Confident	70 Å²	70	103.6 Å²	103.6	33%	0.327	53%	0.529	S	S	.	.	H	α-helix	trans	-65.3	-43.2	177.6	-170.2	179	165.9	0	0	111.6	H453 W454 Q455 E459 Q460 L461	H453-E457 IonicContact CE1-OE2 2.83Å; H453-E457 PolarHBondContact CE1-OE2 2.87Å; H453-E457 IonicContact ND1-OE2 2.77Å; H453-E457 PolarHBondContact O-N 3.46Å; W454-E457 VanDerWaalsContact CE3-OE2 3.29Å; W454-E457 WeakPolarHBondContact CZ3-OE2 3.44Å; Q455-E457 VanDerWaalsContact C-N 3.33Å; Q455-E457 PolarHBondContact O-N 2.8Å; E457-E459 VanDerWaalsContact C-N 3.31Å; E457-E459 PolarHBondContact O-N 2.77Å; E457-Q460 PolarHBondContact O-N 2.73Å; E457-L461 HydrophobicContact CG-CD1 4.22Å; E457-L461 WeakPolarHBondContact O-CB 3.47Å; E457-L461 WeakPolarHBondContact O-CG 3.28Å; E457-L461 PolarHBondContact O-N 3.07Å
458	K	87.5	Confident	85.1	Confident	159 Å²	159	104.1 Å²	104.1	69%	0.691	54%	0.54	S	S	*	.	H	α-helix	trans	-58.5	-41.6	173.2	-178.8	-170.9	173.9	-168.7	0	111.9	W454 Q455 L461 S462	W454-K458 VanDerWaalsContact O-CB 3.26Å; W454-K458 WeakPolarHBondContact O-CB 3.44Å; W454-K458 PolarHBondContact O-N 3.26Å; Q455-K458 WeakPolarHBondContact O-CB 3.35Å; Q455-K458 PolarHBondContact O-N 3.12Å; K458-L461 PolarHBondContact O-N 3.28Å; K458-S462 VanDerWaalsContact O-CB 3.3Å; K458-S462 WeakPolarHBondContact O-CB 3.43Å; K458-S462 PolarHBondContact O-N 3Å
459	E	88.4	Confident	83.4	Confident	122 Å²	122	104 Å²	104	57%	0.57	55%	0.547	S	S	*	.	H	α-helix	trans	-64.6	-44.8	176.3	-73.2	168.3	-177	0	0	111.8	Q455 R456 E457 L461 S462 L463	Q455-E459 WeakPolarHBondContact O-CG 3.4Å; Q455-E459 PolarHBondContact O-N 3.24Å; R456-E459 PolarHBondContact O-N 3.48Å; E457-E459 VanDerWaalsContact C-N 3.31Å; E457-E459 PolarHBondContact O-N 2.77Å; E459-L461 PolarHBondContact O-N 2.95Å; E459-S462 WeakPolarHBondContact O-CB 3.42Å; E459-S462 PolarHBondContact O-N 3.13Å; E459-L463 WeakPolarHBondContact O-CG 3.4Å; E459-L463 PolarHBondContact O-N 3.27Å
460	Q	86.1	Confident	81.6	Confident	114 Å²	114	106.8 Å²	106.8	53%	0.533	56%	0.555	S	S	.	*	H	α-helix	trans	-61.3	-41.1	174.8	-70.8	178.1	26.9	0	0	112.7	R456 E457 L463 R464	R456-Q460 WeakPolarHBondContact O-CG 3.4Å; R456-Q460 PolarHBondContact O-N 3.38Å; E457-Q460 PolarHBondContact O-N 2.73Å; Q460-L463 PolarHBondContact O-N 2.87Å; Q460-R464 PolarHBondContact O-N 3.5Å
461	L	80	Confident	79.9	Confident	75 Å²	75	107.3 Å²	107.3	39%	0.393	56%	0.559	S	S	.	*	H	α-helix	trans	-67.1	-40.3	175.1	-70.1	170.5	0	0	0	111.6	E457 K458 E459 L463 R464 M465	E457-L461 HydrophobicContact CG-CD1 4.22Å; E457-L461 WeakPolarHBondContact O-CB 3.47Å; E457-L461 WeakPolarHBondContact O-CG 3.28Å; E457-L461 PolarHBondContact O-N 3.07Å; K458-L461 PolarHBondContact O-N 3.28Å; E459-L461 PolarHBondContact O-N 2.95Å; L461-L463 VanDerWaalsContact C-N 3.34Å; L461-L463 PolarHBondContact O-N 3.35Å; L461-R464 PolarHBondContact O-N 2.92Å; L461-M465 WeakPolarHBondContact O-CG 3.46Å; L461-M465 PolarHBondContact O-N 3.45Å
462	S	81.1	Confident	78.3	Confident	65 Å²	65	108.5 Å²	108.5	46%	0.455	57%	0.566	S	S	.	*	H	α-helix	trans	-61.5	-41	174.6	-167.2	0	0	0	0	112.1	K458 E459 M465 A466	K458-S462 VanDerWaalsContact O-CB 3.3Å; K458-S462 WeakPolarHBondContact O-CB 3.43Å; K458-S462 PolarHBondContact O-N 3Å; E459-S462 WeakPolarHBondContact O-CB 3.42Å; E459-S462 PolarHBondContact O-N 3.13Å; S462-M465 PolarHBondContact O-N 2.98Å; S462-A466 PolarHBondContact O-N 3.18Å
463	L	81.9	Confident	76.9	Confident	126 Å²	126	109.6 Å²	109.6	66%	0.66	57%	0.574	S	S	*	*	H	α-helix	trans	-65.2	-40.2	174.2	-73.3	165.5	0	0	0	112.1	E459 Q460 L461 A466 A467	E459-L463 WeakPolarHBondContact O-CG 3.4Å; E459-L463 PolarHBondContact O-N 3.27Å; Q460-L463 PolarHBondContact O-N 2.87Å; L461-L463 VanDerWaalsContact C-N 3.34Å; L461-L463 PolarHBondContact O-N 3.35Å; L463-A466 PolarHBondContact O-N 3.29Å; L463-A467 WeakPolarHBondContact O-CB 3.48Å; L463-A467 PolarHBondContact O-N 3.19Å
464	R	76.2	Confident	75.6	Confident	167 Å²	167	107.7 Å²	107.7	63%	0.63	57%	0.569	S	S	*	*	H	α-helix	trans	-63.7	-40.4	174.2	-78.7	-178.3	175.2	147.9	0.8	113	Q460 L461 A467	Q460-R464 PolarHBondContact O-N 3.5Å; L461-R464 PolarHBondContact O-N 2.92Å; R464-A467 PolarHBondContact O-N 3.44Å
465	M	69.3	Low	74.4	Confident	145 Å²	145	107 Å²	107	71%	0.714	57%	0.573	S	S	*	*	H	α-helix	trans	-64.5	-41.5	174.6	-69.7	-170.7	-63.3	0	0	111.7	L461 S462 A467 G468	L461-M465 WeakPolarHBondContact O-CG 3.46Å; L461-M465 PolarHBondContact O-N 3.45Å; S462-M465 PolarHBondContact O-N 2.98Å; M465-A467 PolarHBondContact O-N 3.3Å; M465-G468 PolarHBondContact O-N 3.02Å
466	A	77	Confident	73.5	Confident	89 Å²	89	109.3 Å²	109.3	74%	0.736	58%	0.584	S	S	*	*	H	α-helix	trans	-65.9	-25.3	176	0	0	0	0	0	113.4	S462 L463 G468	S462-A466 PolarHBondContact O-N 3.18Å; L463-A466 PolarHBondContact O-N 3.29Å; A466-G468 VanDerWaalsContact C-N 3.28Å; A466-G468 PolarHBondContact O-N 3.28Å
467	A	70.5	Confident	72.6	Confident	71 Å²	71	108.5 Å²	108.5	59%	0.587	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	0.5	179.6	0	0	0	0	0	115	L463 R464 M465 V469	L463-A467 WeakPolarHBondContact O-CB 3.48Å; L463-A467 PolarHBondContact O-N 3.19Å; R464-A467 PolarHBondContact O-N 3.44Å; M465-A467 PolarHBondContact O-N 3.3Å; A467-V469 VanDerWaalsContact C-N 3.32Å; A467-V469 HydrophobicContact CB-CG2 4.27Å; A467-V469 PolarHBondContact O-N 2.92Å
468	G	61.9	Low	71.9	Confident	70 Å²	70	112.5 Å²	112.5	72%	0.722	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.5	26.8	170.8	0	0	0	0	0	115.6	M465 A466	M465-G468 PolarHBondContact O-N 3.02Å; A466-G468 VanDerWaalsContact C-N 3.28Å; A466-G468 PolarHBondContact O-N 3.28Å
469	V	58.1	Low	71.5	Confident	100 Å²	100	111.6 Å²	111.6	61%	0.606	60%	0.595	S	S	*	*			trans	-68.4	149.6	-179.9	-175.8	0	0	0	0	111.1	A467 M471	A467-V469 VanDerWaalsContact C-N 3.32Å; A467-V469 HydrophobicContact CB-CG2 4.27Å; A467-V469 PolarHBondContact O-N 2.92Å; V469-M471 PolarHBondContact O-N 3.43Å
470	D	57.4	Low	71.2	Confident	115 Å²	115	109.5 Å²	109.5	62%	0.615	59%	0.591	S	S	*	*			trans	-44.7	124.5	-177.8	-175.4	-4.7	0	0	0	113.2	N472 P473	D470-N472 VanDerWaalsContact C-N 3.33Å; D470-N472 PolarHBondContact O-N 3.07Å; D470-N472 PolarHBondContact OD1-N 2.99Å; D470-P473 WeakPolarHBondContact O-CD 3.39Å
471	M	59.3	Low	71.1	Confident	141 Å²	141	109.3 Å²	109.3	70%	0.695	59%	0.593	S	S	*	*	S	Bend	trans	-78.7	-10.4	-173.4	-73.6	-70.9	-141.1	0	0	114.2	V469 V474 M475	V469-M471 PolarHBondContact O-N 3.43Å; M471-V474 WeakPolarHBondContact O-CB 3.4Å; M471-V474 PolarHBondContact O-N 3.04Å; M471-V474 VanDerWaalsContact O-N 3.16Å; M471-V474 HydrophobicContact SD-CB 4.23Å; M471-V474 HydrophobicContact SD-CG1 4.29Å; M471-V474 HydrophobicContact SD-CG2 4.15Å; M471-M475 PolarHBondContact O-N 3.28Å
472	N	60	Low	71.2	Confident	129 Å²	129	108.6 Å²	108.6	69%	0.69	59%	0.587	S	S	*	*	H	α-helix	trans	-60.5	-52.3	-176.2	-153.7	12.6	0	0	0	113.5	D470 V474 M475	D470-N472 VanDerWaalsContact C-N 3.33Å; D470-N472 PolarHBondContact O-N 3.07Å; D470-N472 PolarHBondContact OD1-N 2.99Å; N472-V474 PolarHBondContact O-N 3.36Å; N472-M475 PolarHBondContact O-N 3.18Å
473	P	64.6	Low	71.4	Confident	73 Å²	73	109.2 Å²	109.2	47%	0.474	59%	0.592	S	S	.	*	H	α-helix	trans	-64.8	-25.4	173	26.5	-36.2	0	0	0	113.6	D470 M475 E476 Q477	D470-P473 WeakPolarHBondContact O-CD 3.39Å; P473-M475 VanDerWaalsContact C-N 3.26Å; P473-M475 PolarHBondContact O-N 2.74Å; P473-E476 PolarHBondContact O-N 3.48Å; P473-Q477 PolarHBondContact O-N 3.29Å; P473-Q477 VanDerWaalsContact O-N 3.08Å
474	V	64.4	Low	71.6	Confident	60 Å²	60	107.8 Å²	107.8	36%	0.364	58%	0.583	S	S	.	*	H	α-helix	trans	-64.1	-32.5	179.3	-174.5	0	0	0	0	111.1	M471 N472 Y478	M471-V474 WeakPolarHBondContact O-CB 3.4Å; M471-V474 PolarHBondContact O-N 3.04Å; M471-V474 VanDerWaalsContact O-N 3.16Å; M471-V474 HydrophobicContact SD-CB 4.23Å; M471-V474 HydrophobicContact SD-CG1 4.29Å; M471-V474 HydrophobicContact SD-CG2 4.15Å; N472-V474 PolarHBondContact O-N 3.36Å; V474-Y478 VanDerWaalsContact O-CB 3.31Å; V474-Y478 WeakPolarHBondContact O-CB 3.38Å; V474-Y478 PolarHBondContact O-N 2.95Å
475	M	65.3	Low	72.2	Confident	125 Å²	125	106.7 Å²	106.7	62%	0.616	58%	0.579	S	S	*	*	H	α-helix	trans	-71.9	-30.1	179	-165.8	168.2	-66.9	0	0	113.3	M471 N472 P473 K479	M471-M475 PolarHBondContact O-N 3.28Å; N472-M475 PolarHBondContact O-N 3.18Å; P473-M475 VanDerWaalsContact C-N 3.26Å; P473-M475 PolarHBondContact O-N 2.74Å; M475-K479 WeakPolarHBondContact O-CG 3.39Å; M475-K479 PolarHBondContact O-N 2.9Å; M475-K479 VanDerWaalsContact O-N 3.15Å
476	E	72.2	Confident	73.2	Confident	146 Å²	146	104.1 Å²	104.1	68%	0.682	57%	0.565	S	S	*	*	H	α-helix	trans	-79.8	-36.7	175.6	-157.6	166.8	-121.3	0	0	111.6	P473 Y478 K479 T480	P473-E476 PolarHBondContact O-N 3.48Å; E476-Y478 VanDerWaalsContact C-N 3.33Å; E476-Y478 PolarHBondContact O-N 2.99Å; E476-K479 PolarHBondContact O-N 3.13Å; E476-T480 PolarHBondContact O-N 3.35Å; E476-T480 PolarHBondContact O-OG1 3.07Å
477	Q	73.8	Confident	73.8	Confident	117 Å²	117	102.4 Å²	102.4	55%	0.547	55%	0.551	S	S	.	*	H	α-helix	trans	-59.7	-41.8	166.3	-71.1	-177.3	-5.5	0	0	111.7	P473 T480 L481	P473-Q477 PolarHBondContact O-N 3.29Å; P473-Q477 VanDerWaalsContact O-N 3.08Å; Q477-T480 WeakPolarHBondContact O-CB 3.33Å; Q477-T480 PolarHBondContact O-N 2.98Å; Q477-L481 WeakPolarHBondContact O-CB 3.1Å; Q477-L481 PolarHBondContact O-N 3.13Å
478	Y	74.5	Confident	74.8	Confident	153 Å²	153	106.6 Å²	106.6	60%	0.6	55%	0.552	S	S	*	*	H	α-helix	trans	-61.5	-45.5	176.7	-179.6	-96.5	0	0	0	112.3	V474 E476 T480 L481 Q482	V474-Y478 VanDerWaalsContact O-CB 3.31Å; V474-Y478 WeakPolarHBondContact O-CB 3.38Å; V474-Y478 PolarHBondContact O-N 2.95Å; E476-Y478 VanDerWaalsContact C-N 3.33Å; E476-Y478 PolarHBondContact O-N 2.99Å; Y478-T480 VanDerWaalsContact C-N 3.3Å; Y478-T480 PolarHBondContact O-N 3.15Å; Y478-L481 PolarHBondContact O-N 3.01Å; Y478-Q482 VanDerWaalsContact O-CB 3.31Å; Y478-Q482 WeakPolarHBondContact O-CB 3.34Å; Y478-Q482 PolarHBondContact O-N 3.4Å
479	K	79.8	Confident	76.2	Confident	141 Å²	141	106.1 Å²	106.1	61%	0.613	53%	0.532	S	S	*	.	H	α-helix	trans	-59.8	-40.5	173.5	-73.7	174.4	-179.2	173.9	0	112.2	M475 E476 Q482 S483	M475-K479 WeakPolarHBondContact O-CG 3.39Å; M475-K479 PolarHBondContact O-N 2.9Å; M475-K479 VanDerWaalsContact O-N 3.15Å; E476-K479 PolarHBondContact O-N 3.13Å; K479-Q482 PolarHBondContact O-N 3.47Å; K479-S483 PolarHBondContact O-N 2.94Å
480	T	82.2	Confident	77.8	Confident	77 Å²	77	107.7 Å²	107.7	47%	0.472	53%	0.53	S	S	.	.	H	α-helix	trans	-66.4	-46.7	178.3	-54.3	0	0	0	0	111.3	E476 Q477 Y478 Q482 S483 M484	E476-T480 PolarHBondContact O-N 3.35Å; E476-T480 PolarHBondContact O-OG1 3.07Å; Q477-T480 WeakPolarHBondContact O-CB 3.33Å; Q477-T480 PolarHBondContact O-N 2.98Å; Y478-T480 VanDerWaalsContact C-N 3.3Å; Y478-T480 PolarHBondContact O-N 3.15Å; T480-Q482 VanDerWaalsContact C-N 3.33Å; T480-Q482 PolarHBondContact O-N 2.97Å; T480-S483 PolarHBondContact O-N 2.79Å; T480-M484 HydrophobicContact CG2-SD 4.41Å; T480-M484 WeakPolarHBondContact O-CG 3.42Å; T480-M484 PolarHBondContact O-N 3.11Å
481	L	82.6	Confident	79.5	Confident	110 Å²	110	105.6 Å²	105.6	58%	0.576	52%	0.522	S	S	*	.	H	α-helix	trans	-61.2	-38.6	174.4	-82.8	161	0	0	0	112.6	Q477 Y478 M484 R485	Q477-L481 WeakPolarHBondContact O-CB 3.1Å; Q477-L481 PolarHBondContact O-N 3.13Å; Y478-L481 PolarHBondContact O-N 3.01Å; L481-M484 PolarHBondContact O-N 3.34Å; L481-R485 VanDerWaalsContact O-CB 3.29Å; L481-R485 WeakPolarHBondContact O-CB 3.45Å; L481-R485 PolarHBondContact O-N 3.13Å
482	Q	82.1	Confident	81	Confident	61 Å²	61	102.8 Å²	102.8	29%	0.285	51%	0.509	S	S	.	.	H	α-helix	trans	-65.6	-44.8	175.7	-176.8	66.1	14.3	0	0	111.3	Y478 K479 T480 M484 R485 E486	Y478-Q482 VanDerWaalsContact O-CB 3.31Å; Y478-Q482 WeakPolarHBondContact O-CB 3.34Å; Y478-Q482 PolarHBondContact O-N 3.4Å; K479-Q482 PolarHBondContact O-N 3.47Å; T480-Q482 VanDerWaalsContact C-N 3.33Å; T480-Q482 PolarHBondContact O-N 2.97Å; Q482-M484 PolarHBondContact O-N 2.99Å; Q482-R485 WeakPolarHBondContact O-CB 3.36Å; Q482-R485 PolarHBondContact O-N 2.91Å; Q482-E486 WeakPolarHBondContact CG-OE1 3.33Å; Q482-E486 PolarHBondContact NE2-OE1 2.98Å; Q482-E486 WeakPolarHBondContact O-CG 3.45Å; Q482-E486 PolarHBondContact O-N 2.85Å
483	S	85.2	Confident	82.5	Confident	78 Å²	78	101.3 Å²	101.3	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-60.5	-44.1	173.4	-176.6	0	0	0	0	112.1	K479 T480 R485 E486 A487	K479-S483 PolarHBondContact O-N 2.94Å; T480-S483 PolarHBondContact O-N 2.79Å; S483-R485 VanDerWaalsContact C-N 3.33Å; S483-R485 PolarHBondContact O-N 2.64Å; S483-E486 PolarHBondContact O-N 3.29Å; S483-A487 WeakPolarHBondContact O-CB 3.44Å; S483-A487 PolarHBondContact O-N 3.5Å
484	M	87.3	Confident	83.8	Confident	96 Å²	96	104 Å²	104	47%	0.473	50%	0.504	S	S	.	.	H	α-helix	trans	-62.8	-36.9	173.6	-71.7	175.7	67.3	0	0	112.8	T480 L481 Q482 R488	T480-M484 HydrophobicContact CG2-SD 4.41Å; T480-M484 WeakPolarHBondContact O-CG 3.42Å; T480-M484 PolarHBondContact O-N 3.11Å; L481-M484 PolarHBondContact O-N 3.34Å; Q482-M484 PolarHBondContact O-N 2.99Å; M484-R488 WeakPolarHBondContact O-CB 3.27Å; M484-R488 WeakPolarHBondContact O-CG 3.37Å; M484-R488 PolarHBondContact O-N 3.01Å
485	R	88.7	Confident	85.2	Confident	143 Å²	143	106.4 Å²	106.4	54%	0.54	51%	0.514	S	S	.	.	H	α-helix	trans	-65.8	-44.1	175.7	-179.3	-179.3	177.8	-80.8	-3.2	111.2	L481 Q482 S483 R488 I489	L481-R485 VanDerWaalsContact O-CB 3.29Å; L481-R485 WeakPolarHBondContact O-CB 3.45Å; L481-R485 PolarHBondContact O-N 3.13Å; Q482-R485 WeakPolarHBondContact O-CB 3.36Å; Q482-R485 PolarHBondContact O-N 2.91Å; S483-R485 VanDerWaalsContact C-N 3.33Å; S483-R485 PolarHBondContact O-N 2.64Å; R485-R488 PolarHBondContact O-N 2.81Å; R485-I489 HydrophobicContact CG-CD1 4.13Å; R485-I489 VanDerWaalsContact O-CG1 3.29Å; R485-I489 WeakPolarHBondContact O-CG1 3.27Å; R485-I489 PolarHBondContact O-N 3.26Å
486	E	89.4	Confident	86.5	Confident	92 Å²	92	108.5 Å²	108.5	43%	0.43	52%	0.515	S	S	.	.	H	α-helix	trans	-67.1	-37.8	177	-72.4	170.6	-157.6	0	0	112.2	Q482 S483 I489 K490	Q482-E486 WeakPolarHBondContact CG-OE1 3.33Å; Q482-E486 PolarHBondContact NE2-OE1 2.98Å; Q482-E486 WeakPolarHBondContact O-CG 3.45Å; Q482-E486 PolarHBondContact O-N 2.85Å; S483-E486 PolarHBondContact O-N 3.29Å; E486-I489 PolarHBondContact O-N 3.33Å; E486-K490 WeakPolarHBondContact O-CG 3.49Å; E486-K490 PolarHBondContact O-N 2.93Å; E486-K490 VanDerWaalsContact O-N 3.15Å
487	A	90.3	Very high	87.5	Confident	53 Å²	53	106.9 Å²	106.9	44%	0.438	51%	0.511	S	S	.	.	H	α-helix	trans	-61.6	-48.6	170.6	0	0	0	0	0	111.8	S483 I489 K490 T491	S483-A487 WeakPolarHBondContact O-CB 3.44Å; S483-A487 PolarHBondContact O-N 3.5Å; A487-I489 VanDerWaalsContact C-N 3.32Å; A487-I489 PolarHBondContact O-N 3.35Å; A487-K490 PolarHBondContact O-N 3Å; A487-T491 PolarHBondContact O-N 3.21Å; A487-T491 PolarHBondContact O-OG1 3.25Å
488	R	91.4	Very high	88.3	Confident	159 Å²	159	107.4 Å²	107.4	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-61.2	-36.7	176.7	-76.5	-178	177.9	-161.6	0.3	112.7	M484 R485 T491 I492	M484-R488 WeakPolarHBondContact O-CB 3.27Å; M484-R488 WeakPolarHBondContact O-CG 3.37Å; M484-R488 PolarHBondContact O-N 3.01Å; R485-R488 PolarHBondContact O-N 2.81Å; R488-T491 PolarHBondContact O-N 3.04Å; R488-I492 VanDerWaalsContact O-CG1 3.28Å; R488-I492 WeakPolarHBondContact O-CG1 3.3Å; R488-I492 PolarHBondContact O-N 2.78Å
489	I	91.8	Very high	89.1	Confident	59 Å²	59	105.8 Å²	105.8	30%	0.303	51%	0.513	S	S	.	.	H	α-helix	trans	-61.6	-47.3	174.7	-73.3	164.7	0	0	0	110.6	R485 E486 A487 T491 I492 E493	R485-I489 HydrophobicContact CG-CD1 4.13Å; R485-I489 VanDerWaalsContact O-CG1 3.29Å; R485-I489 WeakPolarHBondContact O-CG1 3.27Å; R485-I489 PolarHBondContact O-N 3.26Å; E486-I489 PolarHBondContact O-N 3.33Å; A487-I489 VanDerWaalsContact C-N 3.32Å; A487-I489 PolarHBondContact O-N 3.35Å; I489-T491 VanDerWaalsContact C-N 3.31Å; I489-T491 PolarHBondContact O-N 2.98Å; I489-I492 PolarHBondContact O-N 2.99Å; I489-I492 VanDerWaalsContact O-N 3.1Å; I489-E493 WeakPolarHBondContact O-CG 3.41Å; I489-E493 PolarHBondContact O-N 2.95Å
490	K	92.2	Very high	89.7	Confident	133 Å²	133	103.1 Å²	103.1	58%	0.578	51%	0.505	S	S	*	.	H	α-helix	trans	-60	-39.6	175.9	-70.2	172.6	-179.2	173.5	0	112.4	E486 A487 E493 Q494	E486-K490 WeakPolarHBondContact O-CG 3.49Å; E486-K490 PolarHBondContact O-N 2.93Å; E486-K490 VanDerWaalsContact O-N 3.15Å; A487-K490 PolarHBondContact O-N 3Å; K490-E493 PolarHBondContact O-N 2.85Å; K490-Q494 VanDerWaalsContact O-CG 3.31Å; K490-Q494 WeakPolarHBondContact O-CG 3.4Å; K490-Q494 PolarHBondContact O-N 2.95Å
491	T	91.4	Very high	90.1	Very high	71 Å²	71	105 Å²	105	44%	0.436	51%	0.509	S	S	.	.	H	α-helix	trans	-64.9	-39.8	174.1	-51	0	0	0	0	112.2	A487 R488 I489 E493 Q494 L495	A487-T491 PolarHBondContact O-N 3.21Å; A487-T491 PolarHBondContact O-OG1 3.25Å; R488-T491 PolarHBondContact O-N 3.04Å; I489-T491 VanDerWaalsContact C-N 3.31Å; I489-T491 PolarHBondContact O-N 2.98Å; T491-E493 VanDerWaalsContact C-N 3.35Å; T491-Q494 PolarHBondContact O-N 3.32Å; T491-L495 HydrophobicContact CG2-CD1 4.25Å; T491-L495 WeakPolarHBondContact O-CB 3.27Å; T491-L495 VanDerWaalsContact O-CG 3.31Å; T491-L495 WeakPolarHBondContact O-CG 3.28Å; T491-L495 PolarHBondContact O-N 3.26Å
492	I	91.5	Very high	90.5	Very high	83 Å²	83	104.4 Å²	104.4	43%	0.426	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-38.5	175.4	-70.3	163.1	0	0	0	111.1	R488 I489 L495 R496	R488-I492 VanDerWaalsContact O-CG1 3.28Å; R488-I492 WeakPolarHBondContact O-CG1 3.3Å; R488-I492 PolarHBondContact O-N 2.78Å; I489-I492 PolarHBondContact O-N 2.99Å; I489-I492 VanDerWaalsContact O-N 3.1Å; I492-L495 PolarHBondContact O-N 2.88Å; I492-R496 WeakPolarHBondContact O-CB 3.38Å; I492-R496 VanDerWaalsContact O-CG 3.26Å; I492-R496 WeakPolarHBondContact O-CG 3.38Å; I492-R496 PolarHBondContact O-N 2.91Å
493	E	92.4	Very high	90.9	Very high	97 Å²	97	106 Å²	106	45%	0.453	52%	0.516	S	S	.	.	H	α-helix	trans	-66.4	-42.3	174.8	-71.4	169.3	170.8	0	0	112	I489 K490 T491 L495 R496 N497	I489-E493 WeakPolarHBondContact O-CG 3.41Å; I489-E493 PolarHBondContact O-N 2.95Å; K490-E493 PolarHBondContact O-N 2.85Å; T491-E493 VanDerWaalsContact C-N 3.35Å; E493-L495 PolarHBondContact O-N 3.01Å; E493-R496 PolarHBondContact O-N 3.5Å; E493-N497 VanDerWaalsContact O-CG 3.3Å; E493-N497 PolarHBondContact O-N 3.5Å
494	Q	92	Very high	91.2	Very high	130 Å²	130	107 Å²	107	61%	0.607	51%	0.512	S	S	*	.	H	α-helix	trans	-59.6	-44.8	172.2	-73.7	170.5	-23.1	0	0	112.1	K490 T491 N497 K498	K490-Q494 VanDerWaalsContact O-CG 3.31Å; K490-Q494 WeakPolarHBondContact O-CG 3.4Å; K490-Q494 PolarHBondContact O-N 2.95Å; T491-Q494 PolarHBondContact O-N 3.32Å; Q494-N497 PolarHBondContact O-N 2.97Å; Q494-K498 WeakPolarHBondContact O-CB 3.36Å; Q494-K498 PolarHBondContact O-N 2.88Å
495	L	92.7	Very high	91.3	Very high	110 Å²	110	106.1 Å²	106.1	58%	0.576	51%	0.509	S	S	*	.	H	α-helix	trans	-66.1	-38.5	177.2	-71.5	170.2	0	0	0	112.3	T491 I492 E493 K498 L499	T491-L495 HydrophobicContact CG2-CD1 4.25Å; T491-L495 WeakPolarHBondContact O-CB 3.27Å; T491-L495 VanDerWaalsContact O-CG 3.31Å; T491-L495 WeakPolarHBondContact O-CG 3.28Å; T491-L495 PolarHBondContact O-N 3.26Å; I492-L495 PolarHBondContact O-N 2.88Å; E493-L495 PolarHBondContact O-N 3.01Å; L495-K498 PolarHBondContact O-N 2.89Å; L495-L499 WeakPolarHBondContact O-CB 3.25Å; L495-L499 PolarHBondContact O-N 3.03Å
496	R	93.3	Very high	91.3	Very high	169 Å²	169	105.5 Å²	105.5	64%	0.638	51%	0.514	S	S	*	.	H	α-helix	trans	-63.3	-43.1	173.9	-77.8	169.3	172.7	-179.4	-3.5	112.3	I492 E493 L499 N500	I492-R496 WeakPolarHBondContact O-CB 3.38Å; I492-R496 VanDerWaalsContact O-CG 3.26Å; I492-R496 WeakPolarHBondContact O-CG 3.38Å; I492-R496 PolarHBondContact O-N 2.91Å; E493-R496 PolarHBondContact O-N 3.5Å; R496-L499 PolarHBondContact O-N 3.18Å; R496-N500 PolarHBondContact O-N 3.15Å
497	N	92.6	Very high	91.3	Very high	112 Å²	112	104.4 Å²	104.4	60%	0.599	51%	0.514	S	S	*	.	H	α-helix	trans	-63.6	-43.3	176.5	-70.1	-10.1	0	0	0	111.1	E493 Q494 L499 N500 E501	E493-N497 VanDerWaalsContact O-CG 3.3Å; E493-N497 PolarHBondContact O-N 3.5Å; Q494-N497 PolarHBondContact O-N 2.97Å; N497-L499 VanDerWaalsContact C-N 3.34Å; N497-L499 PolarHBondContact O-N 3.3Å; N497-N500 PolarHBondContact O-N 3.48Å; N497-E501 PolarHBondContact O-N 3.48Å
498	K	91.9	Very high	91.2	Very high	129 Å²	129	107.4 Å²	107.4	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-67.3	-31.9	176.7	-166	171.2	-174.4	177.6	0	113.2	Q494 L495 L502	Q494-K498 WeakPolarHBondContact O-CB 3.36Å; Q494-K498 PolarHBondContact O-N 2.88Å; L495-K498 PolarHBondContact O-N 2.89Å; K498-L502 WeakPolarHBondContact O-CB 3.29Å; K498-L502 WeakPolarHBondContact O-CG 3.4Å; K498-L502 PolarHBondContact O-N 3.06Å
499	L	90.9	Very high	91.1	Very high	119 Å²	119	105.8 Å²	105.8	62%	0.623	52%	0.518	S	S	*	.	H	α-helix	trans	-67.5	-42.8	172.8	-176	64.2	0	0	0	111.4	L495 R496 N497 L502 D503	L495-L499 WeakPolarHBondContact O-CB 3.25Å; L495-L499 PolarHBondContact O-N 3.03Å; R496-L499 PolarHBondContact O-N 3.18Å; N497-L499 VanDerWaalsContact C-N 3.34Å; N497-L499 PolarHBondContact O-N 3.3Å; L499-L502 PolarHBondContact O-N 3.03Å; L499-D503 WeakPolarHBondContact O-CB 3.39Å; L499-D503 PolarHBondContact O-N 3.08Å
500	N	92.1	Very high	91	Very high	85 Å²	85	104.8 Å²	104.8	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-63.9	-39.4	174.6	-172.8	9.8	0	0	0	111.8	R496 N497 D503 Q504	R496-N500 PolarHBondContact O-N 3.15Å; N497-N500 PolarHBondContact O-N 3.48Å; N500-D503 PolarHBondContact O-N 3.37Å; N500-Q504 WeakPolarHBondContact O-CB 3.48Å; N500-Q504 VanDerWaalsContact O-CG 3.28Å; N500-Q504 WeakPolarHBondContact O-CG 3.33Å; N500-Q504 PolarHBondContact O-N 3.24Å; N500-Q504 PolarHBondContact OD1-NE2 3.23Å
501	E	90.8	Very high	90.9	Very high	116 Å²	116	104.5 Å²	104.5	54%	0.542	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-42.3	172.5	-175.8	179.5	-162	0	0	112.1	N497 N505	N497-E501 PolarHBondContact O-N 3.48Å; E501-N505 WeakPolarHBondContact O-CB 3.39Å; E501-N505 PolarHBondContact O-N 3.39Å; E501-N505 PolarHBondContact O-ND2 3.45Å
502	L	91	Very high	90.8	Very high	98 Å²	98	106 Å²	106	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-65.8	-41.1	174.8	-78	165.2	0	0	0	112.5	K498 L499 N505 M506	K498-L502 WeakPolarHBondContact O-CB 3.29Å; K498-L502 WeakPolarHBondContact O-CG 3.4Å; K498-L502 PolarHBondContact O-N 3.06Å; L499-L502 PolarHBondContact O-N 3.03Å; L502-N505 PolarHBondContact O-N 2.87Å; L502-M506 WeakPolarHBondContact O-CB 3.29Å; L502-M506 PolarHBondContact O-N 3.28Å
503	D	89.9	Confident	90.6	Very high	94 Å²	94	107.3 Å²	107.3	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-65.2	-41.3	177.7	-171.3	63.2	0	0	0	112	L499 N500 M506 T507	L499-D503 WeakPolarHBondContact O-CB 3.39Å; L499-D503 PolarHBondContact O-N 3.08Å; N500-D503 PolarHBondContact O-N 3.37Å; D503-M506 PolarHBondContact O-N 3.37Å; D503-T507 VanDerWaalsContact O-CB 3.29Å; D503-T507 WeakPolarHBondContact O-CB 3.5Å; D503-T507 PolarHBondContact O-N 3.29Å; D503-T507 PolarHBondContact O-OG1 2.76Å
504	Q	91.4	Very high	90.4	Very high	99 Å²	99	105 Å²	105	46%	0.463	53%	0.53	S	S	.	.	H	α-helix	trans	-64.5	-42.2	172.3	-73.3	174.1	43.3	0	0	112.3	N500 T507 Q508	N500-Q504 WeakPolarHBondContact O-CB 3.48Å; N500-Q504 VanDerWaalsContact O-CG 3.28Å; N500-Q504 WeakPolarHBondContact O-CG 3.33Å; N500-Q504 PolarHBondContact O-N 3.24Å; N500-Q504 PolarHBondContact OD1-NE2 3.23Å; Q504-T507 PolarHBondContact O-N 3.2Å; Q504-Q508 WeakPolarHBondContact O-CB 3.41Å; Q504-Q508 VanDerWaalsContact O-CG 3.3Å; Q504-Q508 WeakPolarHBondContact O-CG 3.34Å; Q504-Q508 PolarHBondContact O-N 2.99Å
505	N	90	Very high	90.3	Very high	77 Å²	77	102.3 Å²	102.3	41%	0.412	52%	0.522	S	S	.	.	H	α-helix	trans	-65.3	-41.9	175.7	-81.6	-64.3	0	0	0	111.9	E501 L502 T507 Q508 Q509	E501-N505 WeakPolarHBondContact O-CB 3.39Å; E501-N505 PolarHBondContact O-N 3.39Å; E501-N505 PolarHBondContact O-ND2 3.45Å; L502-N505 PolarHBondContact O-N 2.87Å; N505-T507 VanDerWaalsContact C-N 3.35Å; N505-Q508 PolarHBondContact O-N 2.99Å; N505-Q509 WeakPolarHBondContact O-CG 3.46Å; N505-Q509 PolarHBondContact O-N 3.2Å
506	M	88.1	Confident	90.1	Very high	131 Å²	131	104 Å²	104	65%	0.645	52%	0.521	S	S	*	.	H	α-helix	trans	-63.9	-41.1	175.7	-167.3	-176.4	-54.8	0	0	111.3	L502 D503 Q509 G510	L502-M506 WeakPolarHBondContact O-CB 3.29Å; L502-M506 PolarHBondContact O-N 3.28Å; D503-M506 PolarHBondContact O-N 3.37Å; M506-Q509 PolarHBondContact O-N 3.13Å; M506-G510 PolarHBondContact O-N 3.2Å
507	T	89.3	Confident	90	Very high	68 Å²	68	102.5 Å²	102.5	42%	0.417	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-44.4	174.1	-63.2	0	0	0	0	111.6	D503 Q504 N505 G510 H511	D503-T507 VanDerWaalsContact O-CB 3.29Å; D503-T507 WeakPolarHBondContact O-CB 3.5Å; D503-T507 PolarHBondContact O-N 3.29Å; D503-T507 PolarHBondContact O-OG1 2.76Å; Q504-T507 PolarHBondContact O-N 3.2Å; N505-T507 VanDerWaalsContact C-N 3.35Å; T507-G510 PolarHBondContact O-N 2.93Å; T507-H511 PolarHBondContact O-N 3Å; T507-H511 PolarHBondContact O-ND1 2.87Å
508	Q	89.7	Confident	89.8	Confident	117 Å²	117	102.1 Å²	102.1	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-44.5	175.9	-74.2	173.2	51.9	0	0	112	Q504 N505 G510 H511 E512	Q504-Q508 WeakPolarHBondContact O-CB 3.41Å; Q504-Q508 VanDerWaalsContact O-CG 3.3Å; Q504-Q508 WeakPolarHBondContact O-CG 3.34Å; Q504-Q508 PolarHBondContact O-N 2.99Å; N505-Q508 PolarHBondContact O-N 2.99Å; Q508-G510 VanDerWaalsContact C-N 3.3Å; Q508-G510 PolarHBondContact O-N 2.63Å; Q508-H511 PolarHBondContact O-N 3.29Å; Q508-E512 PolarHBondContact O-N 2.98Å
509	Q	88.8	Confident	89.8	Confident	125 Å²	125	102.3 Å²	102.3	58%	0.584	51%	0.514	S	S	*	.	H	α-helix	trans	-61.9	-37	173.8	-73.1	-177.4	-1.5	0	0	112.1	N505 M506 E512 L513	N505-Q509 WeakPolarHBondContact O-CG 3.46Å; N505-Q509 PolarHBondContact O-N 3.2Å; M506-Q509 PolarHBondContact O-N 3.13Å; Q509-E512 PolarHBondContact O-N 2.87Å; Q509-L513 WeakPolarHBondContact O-CB 3.45Å; Q509-L513 VanDerWaalsContact O-CG 3.26Å; Q509-L513 WeakPolarHBondContact O-CG 3.43Å; Q509-L513 PolarHBondContact O-N 2.94Å
510	G	89	Confident	89.7	Confident	38 Å²	38	101.2 Å²	101.2	39%	0.392	51%	0.508	S	S	.	.	H	α-helix	trans	-60.8	-44.3	172.2	0	0	0	0	0	112.9	M506 T507 Q508 L513 A514	M506-G510 PolarHBondContact O-N 3.2Å; T507-G510 PolarHBondContact O-N 2.93Å; Q508-G510 VanDerWaalsContact C-N 3.3Å; Q508-G510 PolarHBondContact O-N 2.63Å; G510-L513 PolarHBondContact O-N 3.37Å; G510-A514 WeakPolarHBondContact O-CB 3.21Å; G510-A514 PolarHBondContact O-N 3.34Å
511	H	90.4	Very high	89.6	Confident	126 Å²	126	99.8 Å²	99.8	58%	0.583	50%	0.5	S	S	*	.	H	α-helix	trans	-66.3	-38.5	175.2	-74.4	77.4	0	0	0	112.4	T507 Q508 T515	T507-H511 PolarHBondContact O-N 3Å; T507-H511 PolarHBondContact O-ND1 2.87Å; Q508-H511 PolarHBondContact O-N 3.29Å; H511-T515 WeakPolarHBondContact O-CB 3.27Å; H511-T515 PolarHBondContact O-N 3.09Å; H511-T515 PolarHBondContact O-OG1 3.36Å
512	E	88.7	Confident	89.5	Confident	102 Å²	102	98.8 Å²	98.8	48%	0.477	50%	0.499	S	S	.	.	H	α-helix	trans	-63	-46.2	171.9	-87.9	-152.6	-131.9	0	0	112.1	Q508 Q509 T515 R516	Q508-E512 PolarHBondContact O-N 2.98Å; Q509-E512 PolarHBondContact O-N 2.87Å; E512-T515 PolarHBondContact O-N 3.43Å; E512-R516 WeakPolarHBondContact O-CB 3.42Å; E512-R516 VanDerWaalsContact O-CG 3.24Å; E512-R516 WeakPolarHBondContact O-CG 3.37Å; E512-R516 PolarHBondContact O-N 2.94Å; E512-R516 IonicContact OE2-CZ 3.35Å; E512-R516 IonicContact OE2-NE 2.73Å; E512-R516 PolarHBondContact OE2-NE 3.13Å; E512-R516 IonicContact OE2-NH2 3.83Å; E512-R516 PolarHBondContact OE2-NH2 2.86Å
513	L	87.9	Confident	89.3	Confident	111 Å²	111	96.2 Å²	96.2	58%	0.581	49%	0.489	S	S	*	.	H	α-helix	trans	-64.3	-40.9	178.9	-73.6	171.1	0	0	0	111.5	Q509 G510 R516 R517	Q509-L513 WeakPolarHBondContact O-CB 3.45Å; Q509-L513 VanDerWaalsContact O-CG 3.26Å; Q509-L513 WeakPolarHBondContact O-CG 3.43Å; Q509-L513 PolarHBondContact O-N 2.94Å; G510-L513 PolarHBondContact O-N 3.37Å; L513-R516 PolarHBondContact O-N 3.31Å; L513-R517 VanDerWaalsContact O-CB 3.31Å; L513-R517 WeakPolarHBondContact O-CB 3.37Å; L513-R517 PolarHBondContact O-N 3.43Å
514	A	87.3	Confident	89.3	Confident	50 Å²	50	97.5 Å²	97.5	41%	0.413	49%	0.492	S	S	.	.	H	α-helix	trans	-61.5	-43.7	171.4	0	0	0	0	0	111.8	G510 R516 R517 N518	G510-A514 WeakPolarHBondContact O-CB 3.21Å; G510-A514 PolarHBondContact O-N 3.34Å; A514-R516 VanDerWaalsContact C-N 3.34Å; A514-R516 PolarHBondContact O-N 3.02Å; A514-R517 PolarHBondContact O-N 2.98Å; A514-N518 VanDerWaalsContact O-CG 3.3Å; A514-N518 PolarHBondContact O-N 3.05Å; A514-N518 PolarHBondContact O-OD1 3.43Å
515	T	90.6	Very high	89.3	Confident	73 Å²	73	96.4 Å²	96.4	45%	0.448	49%	0.489	S	S	.	.	H	α-helix	trans	-64.2	-37.9	176.7	-57.3	0	0	0	0	112.2	H511 E512 K519	H511-T515 WeakPolarHBondContact O-CB 3.27Å; H511-T515 PolarHBondContact O-N 3.09Å; H511-T515 PolarHBondContact O-OG1 3.36Å; E512-T515 PolarHBondContact O-N 3.43Å; T515-K519 WeakPolarHBondContact O-CG 3.44Å; T515-K519 PolarHBondContact O-N 3.23Å
516	R	89.5	Confident	89.4	Confident	144 Å²	144	99.3 Å²	99.3	54%	0.543	50%	0.495	S	S	.	.	H	α-helix	trans	-69.8	-39.8	174.3	-68.7	170	-167.2	-152.8	8.3	111.1	E512 L513 A514 K519 I520	E512-R516 WeakPolarHBondContact O-CB 3.42Å; E512-R516 VanDerWaalsContact O-CG 3.24Å; E512-R516 WeakPolarHBondContact O-CG 3.37Å; E512-R516 PolarHBondContact O-N 2.94Å; E512-R516 IonicContact OE2-CZ 3.35Å; E512-R516 IonicContact OE2-NE 2.73Å; E512-R516 PolarHBondContact OE2-NE 3.13Å; E512-R516 IonicContact OE2-NH2 3.83Å; E512-R516 PolarHBondContact OE2-NH2 2.86Å; L513-R516 PolarHBondContact O-N 3.31Å; A514-R516 VanDerWaalsContact C-N 3.34Å; A514-R516 PolarHBondContact O-N 3.02Å; R516-K519 PolarHBondContact O-N 3.12Å; R516-I520 WeakPolarHBondContact O-CG1 3.38Å; R516-I520 PolarHBondContact O-N 3.23Å
517	R	89.3	Confident	89.4	Confident	139 Å²	139	97.5 Å²	97.5	53%	0.525	49%	0.49	S	S	.	.	H	α-helix	trans	-61.3	-51.4	176.4	-179.5	66.9	-154.4	-165.6	4.9	111	L513 A514 K519 I520 D521	L513-R517 VanDerWaalsContact O-CB 3.31Å; L513-R517 WeakPolarHBondContact O-CB 3.37Å; L513-R517 PolarHBondContact O-N 3.43Å; A514-R517 PolarHBondContact O-N 2.98Å; R517-K519 VanDerWaalsContact C-N 3.28Å; R517-K519 PolarHBondContact O-N 3.45Å; R517-I520 WeakPolarHBondContact O-CA 2.99Å; R517-I520 WeakPolarHBondContact O-CB 3.41Å; R517-I520 PolarHBondContact O-N 3.17Å; R517-D521 WeakPolarHBondContact CG-OD2 3.23Å; R517-D521 IonicContact CZ-OD1 2.76Å; R517-D521 VanDerWaalsContact CZ-OD1 3.22Å; R517-D521 IonicContact CZ-OD2 2.62Å; R517-D521 VanDerWaalsContact NE-CG 3.34Å; R517-D521 IonicContact NE-OD1 3.88Å; R517-D521 PolarHBondContact NE-OD1 3.35Å; R517-D521 IonicContact NE-OD2 3.25Å; R517-D521 PolarHBondContact NE-OD2 2.83Å; R517-D521 IonicContact NH2-OD1 3.31Å; R517-D521 PolarHBondContact NH2-OD1 3.11Å; R517-D521 IonicContact NH2-OD2 2.61Å; R517-D521 PolarHBondContact O-N 3.49Å
518	N	89.7	Confident	89.5	Confident	104 Å²	104	97.4 Å²	97.4	56%	0.556	49%	0.49	S	S	*	.	H	α-helix	trans	-56.1	-42.3	176.6	-66.3	3.8	0	0	0	111.6	A514 I520 D521 D522	A514-N518 VanDerWaalsContact O-CG 3.3Å; A514-N518 PolarHBondContact O-N 3.05Å; A514-N518 PolarHBondContact O-OD1 3.43Å; N518-I520 VanDerWaalsContact C-N 3.33Å; N518-I520 PolarHBondContact O-N 3.07Å; N518-D521 PolarHBondContact O-N 2.93Å; N518-D522 VanDerWaalsContact O-CB 3.31Å; N518-D522 WeakPolarHBondContact O-CB 3.45Å; N518-D522 PolarHBondContact O-N 3.3Å
519	K	91	Very high	89.7	Confident	132 Å²	132	98.1 Å²	98.1	57%	0.574	49%	0.488	S	S	*	.	H	α-helix	trans	-65.5	-30.8	175.2	-74.3	174.6	179.9	179.2	0	114	T515 R516 R517 S523	T515-K519 WeakPolarHBondContact O-CG 3.44Å; T515-K519 PolarHBondContact O-N 3.23Å; R516-K519 PolarHBondContact O-N 3.12Å; R517-K519 VanDerWaalsContact C-N 3.28Å; R517-K519 PolarHBondContact O-N 3.45Å; K519-S523 WeakPolarHBondContact O-CB 3.47Å; K519-S523 PolarHBondContact O-N 3.06Å; K519-S523 PolarHBondContact O-OG 3.48Å
520	I	90.1	Very high	89.7	Confident	97 Å²	97	95.9 Å²	95.9	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-72	-48.2	173.8	-71.3	163.7	0	0	0	109.3	R516 R517 N518 S523 Q524	R516-I520 WeakPolarHBondContact O-CG1 3.38Å; R516-I520 PolarHBondContact O-N 3.23Å; R517-I520 WeakPolarHBondContact O-CA 2.99Å; R517-I520 WeakPolarHBondContact O-CB 3.41Å; R517-I520 PolarHBondContact O-N 3.17Å; N518-I520 VanDerWaalsContact C-N 3.33Å; N518-I520 PolarHBondContact O-N 3.07Å; I520-S523 CarbonylContact O-C 3.54Å; I520-S523 WeakPolarHBondContact O-CA 3.39Å; I520-S523 WeakPolarHBondContact O-CB 3.37Å; I520-S523 PolarHBondContact O-N 2.94Å; I520-Q524 PolarHBondContact O-N 2.73Å
521	D	88.8	Confident	89.8	Confident	55 Å²	55	98.9 Å²	98.9	29%	0.294	49%	0.488	S	S	.	.	H	α-helix	trans	-60.9	-50.5	178.5	-68.4	-36.2	0	0	0	110.7	R517 N518 S523 Q524 D525	R517-D521 WeakPolarHBondContact CG-OD2 3.23Å; R517-D521 IonicContact CZ-OD1 2.76Å; R517-D521 VanDerWaalsContact CZ-OD1 3.22Å; R517-D521 IonicContact CZ-OD2 2.62Å; R517-D521 VanDerWaalsContact NE-CG 3.34Å; R517-D521 IonicContact NE-OD1 3.88Å; R517-D521 PolarHBondContact NE-OD1 3.35Å; R517-D521 IonicContact NE-OD2 3.25Å; R517-D521 PolarHBondContact NE-OD2 2.83Å; R517-D521 IonicContact NH2-OD1 3.31Å; R517-D521 PolarHBondContact NH2-OD1 3.11Å; R517-D521 IonicContact NH2-OD2 2.61Å; R517-D521 PolarHBondContact O-N 3.49Å; N518-D521 PolarHBondContact O-N 2.93Å; D521-S523 PolarHBondContact O-N 2.77Å; D521-Q524 PolarHBondContact O-N 2.87Å; D521-Q524 VanDerWaalsContact O-N 3.08Å; D521-D525 VanDerWaalsContact O-CB 3.3Å; D521-D525 WeakPolarHBondContact O-CB 3.21Å; D521-D525 PolarHBondContact O-N 2.96Å
522	D	90.2	Very high	89.8	Confident	94 Å²	94	97.8 Å²	97.8	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-46.9	-36.6	169.7	-78.5	-30.1	0	0	0	112.7	N518 R526	N518-D522 VanDerWaalsContact O-CB 3.31Å; N518-D522 WeakPolarHBondContact O-CB 3.45Å; N518-D522 PolarHBondContact O-N 3.3Å; D522-R526 WeakPolarHBondContact O-CG 3.14Å; D522-R526 PolarHBondContact O-N 2.93Å; D522-R526 PolarHBondContact O-NH1 3.38Å
523	S	86.2	Confident	90	Very high	45 Å²	45	97.7 Å²	97.7	32%	0.315	49%	0.488	S	S	.	.	H	α-helix	trans	-81.8	-40.1	-176.8	-59.8	0	0	0	0	112.3	K519 I520 D521 D525 R526 V527	K519-S523 WeakPolarHBondContact O-CB 3.47Å; K519-S523 PolarHBondContact O-N 3.06Å; K519-S523 PolarHBondContact O-OG 3.48Å; I520-S523 CarbonylContact O-C 3.54Å; I520-S523 WeakPolarHBondContact O-CA 3.39Å; I520-S523 WeakPolarHBondContact O-CB 3.37Å; I520-S523 PolarHBondContact O-N 2.94Å; D521-S523 PolarHBondContact O-N 2.77Å; S523-D525 VanDerWaalsContact C-N 3.28Å; S523-R526 PolarHBondContact O-N 2.93Å; S523-R526 PolarHBondContact OG-NH1 3.26Å; S523-R526 PolarHBondContact OG-NH2 2.9Å; S523-V527 WeakPolarHBondContact O-CG2 3.29Å; S523-V527 PolarHBondContact O-N 2.99Å
524	Q	90.4	Very high	90.1	Very high	120 Å²	120	97.7 Å²	97.7	56%	0.561	49%	0.488	S	S	*	.	H	α-helix	trans	-62.6	-39.5	170.9	-172.5	164.4	-29.4	0	0	110.3	I520 D521 R526 V527 T528	I520-Q524 PolarHBondContact O-N 2.73Å; D521-Q524 PolarHBondContact O-N 2.87Å; D521-Q524 VanDerWaalsContact O-N 3.08Å; Q524-R526 PolarHBondContact O-N 2.92Å; Q524-V527 PolarHBondContact O-N 3.46Å; Q524-T528 PolarHBondContact O-N 3Å; Q524-T528 PolarHBondContact O-OG1 2.81Å
525	D	90.6	Very high	90.3	Very high	77 Å²	77	99.2 Å²	99.2	41%	0.412	49%	0.493	S	S	.	.	H	α-helix	trans	-61.6	-39.2	174.6	-130	42.1	0	0	0	112.8	D521 S523 R529	D521-D525 VanDerWaalsContact O-CB 3.3Å; D521-D525 WeakPolarHBondContact O-CB 3.21Å; D521-D525 PolarHBondContact O-N 2.96Å; S523-D525 VanDerWaalsContact C-N 3.28Å; D525-R529 VanDerWaalsContact CB-NH1 3.33Å; D525-R529 WeakPolarHBondContact O-CG 3.24Å; D525-R529 PolarHBondContact O-N 2.94Å; D525-R529 VanDerWaalsContact O-N 3.13Å; D525-R529 PolarHBondContact O-NH1 2.93Å; D525-R529 IonicContact OD2-CZ 3.68Å; D525-R529 IonicContact OD2-NH1 2.8Å; D525-R529 PolarHBondContact OD2-NH1 3.37Å; D525-R529 IonicContact OD2-NH2 2.61Å; D525-R529 PolarHBondContact OD2-NH2 3.17Å
526	R	91.1	Very high	90.4	Very high	138 Å²	138	101.1 Å²	101.1	52%	0.521	50%	0.5	S	S	.	.	H	α-helix	trans	-67.5	-43	172.5	-72.4	-173.5	-45.1	-81.6	3.3	111.3	D522 S523 Q524 R529 T530	D522-R526 WeakPolarHBondContact O-CG 3.14Å; D522-R526 PolarHBondContact O-N 2.93Å; D522-R526 PolarHBondContact O-NH1 3.38Å; S523-R526 PolarHBondContact O-N 2.93Å; S523-R526 PolarHBondContact OG-NH1 3.26Å; S523-R526 PolarHBondContact OG-NH2 2.9Å; Q524-R526 PolarHBondContact O-N 2.92Å; R526-R529 PolarHBondContact O-N 3.16Å; R526-T530 PolarHBondContact O-N 3.13Å; R526-T530 PolarHBondContact O-OG1 3.25Å; R526-T530 VanDerWaalsContact O-OG1 3.12Å
527	V	89.7	Confident	90.5	Very high	92 Å²	92	99.1 Å²	99.1	56%	0.558	50%	0.5	S	S	*	.	H	α-helix	trans	-61.7	-43.6	176.5	171.1	0	0	0	0	111.4	S523 Q524 T530 M531	S523-V527 WeakPolarHBondContact O-CG2 3.29Å; S523-V527 PolarHBondContact O-N 2.99Å; Q524-V527 PolarHBondContact O-N 3.46Å; V527-T530 PolarHBondContact O-N 2.87Å; V527-M531 WeakPolarHBondContact O-CB 3.43Å; V527-M531 PolarHBondContact O-N 3.31Å
528	T	91.5	Very high	90.5	Very high	67 Å²	67	100 Å²	100	41%	0.411	50%	0.503	S	S	.	.	H	α-helix	trans	-62.6	-44.9	177.4	-58.1	0	0	0	0	111.7	Q524 M531 L532	Q524-T528 PolarHBondContact O-N 3Å; Q524-T528 PolarHBondContact O-OG1 2.81Å; T528-M531 WeakPolarHBondContact O-CB 3.41Å; T528-M531 PolarHBondContact O-N 2.83Å; T528-L532 HydrophobicContact CG2-CD1 4.39Å; T528-L532 WeakPolarHBondContact O-CG 3.3Å; T528-L532 PolarHBondContact O-N 2.94Å
529	R	92.6	Very high	90.6	Very high	132 Å²	132	100 Å²	100	50%	0.498	50%	0.499	S	S	.	.	H	α-helix	trans	-59	-50.5	174	-71.5	178.7	-167	90.6	-0.8	111.5	D525 R526 M531 L532 D533	D525-R529 VanDerWaalsContact CB-NH1 3.33Å; D525-R529 WeakPolarHBondContact O-CG 3.24Å; D525-R529 PolarHBondContact O-N 2.94Å; D525-R529 VanDerWaalsContact O-N 3.13Å; D525-R529 PolarHBondContact O-NH1 2.93Å; D525-R529 IonicContact OD2-CZ 3.68Å; D525-R529 IonicContact OD2-NH1 2.8Å; D525-R529 PolarHBondContact OD2-NH1 3.37Å; D525-R529 IonicContact OD2-NH2 2.61Å; D525-R529 PolarHBondContact OD2-NH2 3.17Å; R526-R529 PolarHBondContact O-N 3.16Å; R529-M531 VanDerWaalsContact C-N 3.26Å; R529-M531 PolarHBondContact O-N 2.93Å; R529-L532 WeakPolarHBondContact O-CB 3.47Å; R529-L532 PolarHBondContact O-N 3.25Å; R529-L532 VanDerWaalsContact O-N 3.09Å; R529-D533 VanDerWaalsContact O-CG 3.25Å; R529-D533 PolarHBondContact O-N 3.26Å
530	T	89.9	Confident	90.6	Very high	77 Å²	77	95.7 Å²	95.7	47%	0.472	49%	0.486	S	S	.	.	H	α-helix	trans	-62.8	-31.3	177.9	-56.7	0	0	0	0	112.8	R526 V527 L534	R526-T530 PolarHBondContact O-N 3.13Å; R526-T530 PolarHBondContact O-OG1 3.25Å; R526-T530 VanDerWaalsContact O-OG1 3.12Å; V527-T530 PolarHBondContact O-N 2.87Å; T530-L534 HydrophobicContact CG2-CD1 4.22Å; T530-L534 WeakPolarHBondContact O-CB 3.26Å; T530-L534 WeakPolarHBondContact O-CG 3.32Å; T530-L534 PolarHBondContact O-N 3.1Å
531	M	89.4	Confident	90.5	Very high	102 Å²	102	95.1 Å²	95.1	50%	0.502	49%	0.486	S	S	.	.	H	α-helix	trans	-66.5	-43.5	172.9	-170.2	-172.1	-61.2	0	0	111.5	V527 T528 R529 L534 V535	V527-M531 WeakPolarHBondContact O-CB 3.43Å; V527-M531 PolarHBondContact O-N 3.31Å; T528-M531 WeakPolarHBondContact O-CB 3.41Å; T528-M531 PolarHBondContact O-N 2.83Å; R529-M531 VanDerWaalsContact C-N 3.26Å; R529-M531 PolarHBondContact O-N 2.93Å; M531-L534 PolarHBondContact O-N 3.34Å; M531-V535 WeakPolarHBondContact O-CG2 3.3Å; M531-V535 PolarHBondContact O-N 3.48Å
532	L	91.7	Very high	90.5	Very high	103 Å²	103	95.1 Å²	95.1	54%	0.539	49%	0.485	S	S	.	.	H	α-helix	trans	-63.6	-46.8	174.7	-67.2	168.3	0	0	0	111.1	T528 R529 L534 V535 D536	T528-L532 HydrophobicContact CG2-CD1 4.39Å; T528-L532 WeakPolarHBondContact O-CG 3.3Å; T528-L532 PolarHBondContact O-N 2.94Å; R529-L532 WeakPolarHBondContact O-CB 3.47Å; R529-L532 PolarHBondContact O-N 3.25Å; R529-L532 VanDerWaalsContact O-N 3.09Å; L532-L534 PolarHBondContact O-N 3.43Å; L532-V535 PolarHBondContact O-N 3.42Å; L532-D536 PolarHBondContact O-N 2.62Å
533	D	92.3	Very high	90.3	Very high	100 Å²	100	95.8 Å²	95.8	54%	0.535	49%	0.485	S	S	.	.	H	α-helix	trans	-54.8	-39.9	174.7	-63.3	-38.8	0	0	0	111.7	R529 L537	R529-D533 VanDerWaalsContact O-CG 3.25Å; R529-D533 PolarHBondContact O-N 3.26Å; D533-L537 WeakPolarHBondContact O-CB 3.26Å; D533-L537 PolarHBondContact O-N 2.8Å
534	L	90.9	Very high	90.4	Very high	110 Å²	110	99.3 Å²	99.3	58%	0.576	49%	0.494	S	S	*	.	H	α-helix	trans	-72.4	-35.1	176.9	-75	170.3	0	0	0	113	T530 M531 L532 R538	T530-L534 HydrophobicContact CG2-CD1 4.22Å; T530-L534 WeakPolarHBondContact O-CB 3.26Å; T530-L534 WeakPolarHBondContact O-CG 3.32Å; T530-L534 PolarHBondContact O-N 3.1Å; M531-L534 PolarHBondContact O-N 3.34Å; L532-L534 PolarHBondContact O-N 3.43Å; L534-R538 VanDerWaalsContact O-CB 3.23Å; L534-R538 WeakPolarHBondContact O-CB 3.43Å; L534-R538 PolarHBondContact O-N 3.48Å
535	V	91.4	Very high	90	Very high	83 Å²	83	97.2 Å²	97.2	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-67.4	-45.2	174.1	168.2	0	0	0	0	110.6	M531 L532 R538 H539	M531-V535 WeakPolarHBondContact O-CG2 3.3Å; M531-V535 PolarHBondContact O-N 3.48Å; L532-V535 PolarHBondContact O-N 3.42Å; V535-R538 WeakPolarHBondContact O-CB 3.4Å; V535-R538 PolarHBondContact O-N 3.22Å; V535-H539 WeakPolarHBondContact O-CB 3.36Å; V535-H539 PolarHBondContact O-N 3.22Å
536	D	91.9	Very high	89.6	Confident	113 Å²	113	98.6 Å²	98.6	60%	0.604	49%	0.49	S	S	*	.	H	α-helix	trans	-66.1	-40.2	176.6	-79.5	-10.6	0	0	0	111.8	L532 H539 S540	L532-D536 PolarHBondContact O-N 2.62Å; D536-H539 PolarHBondContact O-N 2.85Å; D536-S540 WeakPolarHBondContact O-CB 3.23Å; D536-S540 PolarHBondContact O-N 3.16Å
537	L	92.1	Very high	89.2	Confident	102 Å²	102	94.8 Å²	94.8	53%	0.534	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-43.5	173	-177.3	61	0	0	0	111.4	D533 H539 S540 V541	D533-L537 WeakPolarHBondContact O-CB 3.26Å; D533-L537 PolarHBondContact O-N 2.8Å; L537-H539 VanDerWaalsContact C-N 3.33Å; L537-H539 PolarHBondContact O-N 3.24Å; L537-S540 PolarHBondContact O-N 2.98Å; L537-V541 WeakPolarHBondContact O-CG2 3.37Å; L537-V541 PolarHBondContact O-N 2.9Å
538	R	89.9	Confident	88.5	Confident	156 Å²	156	98.8 Å²	98.8	59%	0.589	49%	0.494	S	S	*	.	H	α-helix	trans	-59.3	-45	174.1	-171.2	-161.1	172.9	-63.1	-15	110.5	L534 V535 V541 E542	L534-R538 VanDerWaalsContact O-CB 3.23Å; L534-R538 WeakPolarHBondContact O-CB 3.43Å; L534-R538 PolarHBondContact O-N 3.48Å; V535-R538 WeakPolarHBondContact O-CB 3.4Å; V535-R538 PolarHBondContact O-N 3.22Å; R538-V541 PolarHBondContact O-N 3.32Å; R538-E542 IonicContact CZ-OE2 3.1Å; R538-E542 IonicContact NH1-OE2 3.5Å; R538-E542 PolarHBondContact NH1-OE2 3.05Å; R538-E542 IonicContact NH2-OE2 2.7Å; R538-E542 PolarHBondContact NH2-OE2 3.21Å; R538-E542 WeakPolarHBondContact O-CB 3.36Å; R538-E542 PolarHBondContact O-N 2.85Å
539	H	90.3	Very high	87.7	Confident	105 Å²	105	101.6 Å²	101.6	49%	0.486	50%	0.501	S	S	.	.	H	α-helix	trans	-65.9	-39.8	178.3	-166.4	77.3	0	0	0	111.8	V535 D536 L537 V541 E542 Q543	V535-H539 WeakPolarHBondContact O-CB 3.36Å; V535-H539 PolarHBondContact O-N 3.22Å; D536-H539 PolarHBondContact O-N 2.85Å; L537-H539 VanDerWaalsContact C-N 3.33Å; L537-H539 PolarHBondContact O-N 3.24Å; H539-V541 PolarHBondContact O-N 2.71Å; H539-E542 PolarHBondContact O-N 3.44Å; H539-Q543 PolarHBondContact CD2-NE2 3.21Å; H539-Q543 PolarHBondContact NE2-NE2 3.1Å; H539-Q543 WeakPolarHBondContact O-CB 3.48Å; H539-Q543 WeakPolarHBondContact O-CG 3.49Å; H539-Q543 PolarHBondContact O-N 2.85Å
540	S	91.6	Very high	86.7	Confident	41 Å²	41	100.8 Å²	100.8	29%	0.287	51%	0.506	S	S	.	.	H	α-helix	trans	-62.5	-39.3	173.4	-166.7	0	0	0	0	112.4	D536 L537 K544	D536-S540 WeakPolarHBondContact O-CB 3.23Å; D536-S540 PolarHBondContact O-N 3.16Å; L537-S540 PolarHBondContact O-N 2.98Å; S540-K544 WeakPolarHBondContact O-CB 3.32Å; S540-K544 WeakPolarHBondContact O-CD 3.43Å; S540-K544 WeakPolarHBondContact O-CG 3.44Å; S540-K544 PolarHBondContact O-N 3.32Å; S540-K544 PolarHBondContact OG-NZ 3.34Å
541	V	88.2	Confident	85.7	Confident	85 Å²	85	105.4 Å²	105.4	52%	0.515	52%	0.519	S	S	.	.	H	α-helix	trans	-70	-41.2	175	171.1	0	0	0	0	111.3	L537 R538 H539 K544 M545	L537-V541 WeakPolarHBondContact O-CG2 3.37Å; L537-V541 PolarHBondContact O-N 2.9Å; R538-V541 PolarHBondContact O-N 3.32Å; H539-V541 PolarHBondContact O-N 2.71Å; V541-K544 PolarHBondContact O-N 3.43Å; V541-M545 WeakPolarHBondContact O-CB 3.34Å; V541-M545 PolarHBondContact O-N 3.13Å
542	E	87.5	Confident	84.3	Confident	55 Å²	55	111.9 Å²	111.9	26%	0.257	54%	0.538	S	S	.	.	H	α-helix	trans	-59.9	-49.8	174.5	-165.1	85	-103.5	0	0	110.8	R538 H539 K544 M545 Q546	R538-E542 IonicContact CZ-OE2 3.1Å; R538-E542 IonicContact NH1-OE2 3.5Å; R538-E542 PolarHBondContact NH1-OE2 3.05Å; R538-E542 IonicContact NH2-OE2 2.7Å; R538-E542 PolarHBondContact NH2-OE2 3.21Å; R538-E542 WeakPolarHBondContact O-CB 3.36Å; R538-E542 PolarHBondContact O-N 2.85Å; H539-E542 PolarHBondContact O-N 3.44Å; E542-K544 PolarHBondContact O-N 3.48Å; E542-M545 PolarHBondContact O-N 2.89Å; E542-M545 WeakPolarHBondContact OE1-CE 3.23Å; E542-Q546 WeakPolarHBondContact O-CG 3.34Å; E542-Q546 PolarHBondContact O-N 3.21Å
543	Q	86.5	Confident	82.4	Confident	109 Å²	109	116 Å²	116	51%	0.509	55%	0.552	S	S	.	*	H	α-helix	trans	-59.2	-45	174.5	-74.2	-173.1	14.8	0	0	112.1	H539 M545 Q546 A547	H539-Q543 PolarHBondContact CD2-NE2 3.21Å; H539-Q543 PolarHBondContact NE2-NE2 3.1Å; H539-Q543 WeakPolarHBondContact O-CB 3.48Å; H539-Q543 WeakPolarHBondContact O-CG 3.49Å; H539-Q543 PolarHBondContact O-N 2.85Å; Q543-M545 PolarHBondContact O-N 2.91Å; Q543-Q546 PolarHBondContact O-N 3.25Å; Q543-A547 WeakPolarHBondContact O-CB 3.49Å; Q543-A547 PolarHBondContact O-N 3.01Å
544	K	88.9	Confident	80	Confident	118 Å²	118	114.9 Å²	114.9	51%	0.513	55%	0.551	S	S	.	*	H	α-helix	trans	-62.9	-41.4	176.4	-76.8	163.2	-177.3	148.9	0	111.5	S540 V541 E542 A547 Y548	S540-K544 WeakPolarHBondContact O-CB 3.32Å; S540-K544 WeakPolarHBondContact O-CD 3.43Å; S540-K544 WeakPolarHBondContact O-CG 3.44Å; S540-K544 PolarHBondContact O-N 3.32Å; S540-K544 PolarHBondContact OG-NZ 3.34Å; V541-K544 PolarHBondContact O-N 3.43Å; E542-K544 PolarHBondContact O-N 3.48Å; K544-A547 PolarHBondContact O-N 3Å; K544-Y548 WeakPolarHBondContact O-CD2 3.44Å; K544-Y548 PolarHBondContact O-N 3.08Å
545	M	83	Confident	77.5	Confident	77 Å²	77	116 Å²	116	38%	0.379	56%	0.563	S	S	.	*	H	α-helix	trans	-63.6	-42.2	175.1	177.4	176.1	52.2	0	0	111.5	V541 E542 Q543 Y548 K549	V541-M545 WeakPolarHBondContact O-CB 3.34Å; V541-M545 PolarHBondContact O-N 3.13Å; E542-M545 PolarHBondContact O-N 2.89Å; E542-M545 WeakPolarHBondContact OE1-CE 3.23Å; Q543-M545 PolarHBondContact O-N 2.91Å; M545-Y548 PolarHBondContact O-N 2.99Å; M545-K549 HydrophobicContact CG-CD 4.24Å; M545-K549 WeakPolarHBondContact O-CG 3.49Å; M545-K549 PolarHBondContact O-N 3.17Å
546	Q	80.6	Confident	75.1	Confident	105 Å²	105	119.2 Å²	119.2	49%	0.491	58%	0.578	S	S	.	*	H	α-helix	trans	-62	-46	173.8	-70.1	176.7	17.2	0	0	110.9	E542 Q543 Y548 K549 L550	E542-Q546 WeakPolarHBondContact O-CG 3.34Å; E542-Q546 PolarHBondContact O-N 3.21Å; Q543-Q546 PolarHBondContact O-N 3.25Å; Q546-Y548 VanDerWaalsContact C-N 3.33Å; Q546-Y548 PolarHBondContact O-N 3.44Å; Q546-K549 WeakPolarHBondContact O-CB 3.36Å; Q546-K549 PolarHBondContact O-N 2.97Å; Q546-K549 VanDerWaalsContact O-N 3.07Å; Q546-L550 WeakPolarHBondContact O-CD1 3.35Å; Q546-L550 PolarHBondContact O-N 3.23Å
547	A	82.3	Confident	72.5	Confident	59 Å²	59	121.9 Å²	121.9	49%	0.488	59%	0.591	S	S	.	*	H	α-helix	trans	-59.7	-39.3	174.9	0	0	0	0	0	112.7	Q543 K544 K551	Q543-A547 WeakPolarHBondContact O-CB 3.49Å; Q543-A547 PolarHBondContact O-N 3.01Å; K544-A547 PolarHBondContact O-N 3Å; A547-K551 WeakPolarHBondContact O-CB 3.48Å; A547-K551 PolarHBondContact O-N 3.42Å
548	Y	76.3	Confident	69.7	Low	175 Å²	175	122 Å²	122	69%	0.686	60%	0.601	S	S	*	*	H	α-helix	trans	-67.1	-36.6	172.3	-83.5	-65.6	0	0	0	113	K544 M545 Q546 K551 R552	K544-Y548 WeakPolarHBondContact O-CD2 3.44Å; K544-Y548 PolarHBondContact O-N 3.08Å; M545-Y548 PolarHBondContact O-N 2.99Å; Q546-Y548 VanDerWaalsContact C-N 3.33Å; Q546-Y548 PolarHBondContact O-N 3.44Å; Y548-K551 PolarHBondContact O-N 2.91Å; Y548-R552 PolarHBondContact O-N 2.55Å
549	K	74.3	Confident	67	Low	127 Å²	127	121.4 Å²	121.4	55%	0.552	61%	0.614	S	S	*	*	H	α-helix	trans	-65	-46	173.8	-74.5	171.3	178.5	176	0	111.2	M545 Q546 R552 K553	M545-K549 HydrophobicContact CG-CD 4.24Å; M545-K549 WeakPolarHBondContact O-CG 3.49Å; M545-K549 PolarHBondContact O-N 3.17Å; Q546-K549 WeakPolarHBondContact O-CB 3.36Å; Q546-K549 PolarHBondContact O-N 2.97Å; Q546-K549 VanDerWaalsContact O-N 3.07Å; K549-R552 PolarHBondContact O-N 2.91Å; K549-K553 WeakPolarHBondContact O-CB 3.33Å; K549-K553 PolarHBondContact O-N 3.01Å; K549-K553 VanDerWaalsContact O-N 3.16Å
550	L	72.7	Confident	64.4	Low	115 Å²	115	121.5 Å²	121.5	60%	0.602	63%	0.626	S	S	*	*	H	α-helix	trans	-61.9	-46.2	173	-86.7	78	0	0	0	111.2	Q546 R552 K553 S554	Q546-L550 WeakPolarHBondContact O-CD1 3.35Å; Q546-L550 PolarHBondContact O-N 3.23Å; L550-R552 PolarHBondContact O-N 3.33Å; L550-K553 CarbonylContact O-C 3.37Å; L550-K553 PolarHBondContact O-N 3.31Å; L550-S554 PolarHBondContact O-N 3.48Å
551	K	68.3	Low	61.4	Low	173 Å²	173	125.6 Å²	125.6	75%	0.752	65%	0.65	S	S	*	*	H	α-helix	trans	-68.8	-14.2	-178.7	-161.8	165.8	-174.1	173.2	0	114.2	A547 Y548	A547-K551 WeakPolarHBondContact O-CB 3.48Å; A547-K551 PolarHBondContact O-N 3.42Å; Y548-K551 PolarHBondContact O-N 2.91Å
552	R	59.5	Low	58.9	Low	238 Å²	238	127.6 Å²	127.6	90%	0.898	67%	0.668	S	S	*	*	H	α-helix	trans	-88.9	-22.3	164.7	-80.2	-168.2	178.2	-171.9	1.6	114.1	Y548 K549 L550	Y548-R552 PolarHBondContact O-N 2.55Å; K549-R552 PolarHBondContact O-N 2.91Å; L550-R552 PolarHBondContact O-N 3.33Å
553	K	51	Low	56	Low	190 Å²	190	131.1 Å²	131.1	83%	0.826	69%	0.693	S	S	*	*	H	α-helix	trans	-101.5	-9.7	-176.1	-160.7	162.2	-174.9	170.7	0	113.9	K549 L550	K549-K553 WeakPolarHBondContact O-CB 3.33Å; K549-K553 PolarHBondContact O-N 3.01Å; K549-K553 VanDerWaalsContact O-N 3.16Å; L550-K553 CarbonylContact O-C 3.37Å; L550-K553 PolarHBondContact O-N 3.31Å
554	S	43.7	Very low	53.5	Low	76 Å²	76	132.1 Å²	132.1	53%	0.531	71%	0.707	S	S	.	*			trans	-134.8	77.4	-178.5	-58.7	0	0	0	0	111.9	L550 D556	L550-S554 PolarHBondContact O-N 3.48Å; S554-D556 PolarHBondContact O-N 2.65Å; S554-D556 VanDerWaalsContact O-N 3.14Å
555	T	38.2	Very low	51.1	Low	134 Å²	134	132.8 Å²	132.8	82%	0.822	72%	0.715	S	S	*	*			trans	-75.8	68.8	144.7	49.3	0	0	0	0	108.7
556	D	39.3	Very low	48.7	Very low	151 Å²	151	137.7 Å²	137.7	81%	0.807	74%	0.737	S	S	*	*	S	Bend	trans	-173.8	146.5	150.4	-99.4	-27.6	0	0	0	112.4	S554	S554-D556 PolarHBondContact O-N 2.65Å; S554-D556 VanDerWaalsContact O-N 3.14Å
557	L	38.9	Very low	46.7	Very low	169 Å²	169	138.2 Å²	138.2	89%	0.885	75%	0.752	S	S	*	*			trans	49.2	94.8	163	-148.3	64	0	0	0	120.2
558	S	32.9	Very low	45.2	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	76%	0.759	S	S	*	*			trans	-75.7	149.5	161.5	53.2	0	0	0	0	113.8
559	T	32.9	Very low	45	Very low	142 Å²	142	138 Å²	138	87%	0.871	75%	0.754	S	S	*	*			trans	-154	149.5	146.5	-73.4	0	0	0	0	110.6
560	S	36.8	Very low	45.4	Very low	107 Å²	107	135.4 Å²	135.4	75%	0.748	74%	0.743	S	S	*	*			trans	-89.4	158.9	-157.8	-48.5	0	0	0	0	117
561	T	28.1	Very low	46.2	Very low	128 Å²	128	132.3 Å²	132.3	79%	0.785	73%	0.726	S	S	*	*			trans	-35.1	150.8	157.3	47.8	0	0	0	0	118.1
562	S	34.5	Very low	47.3	Very low	126 Å²	126	127.2 Å²	127.2	88%	0.881	71%	0.706	S	S	*	*			trans	-163.2	163	132	-82.1	0	0	0	0	112.2
563	T	27.3	Very low	48.9	Very low	129 Å²	129	116.8 Å²	116.8	79%	0.791	67%	0.667	S	S	*	*			trans	-124.7	136.2	-162.4	-32.9	0	0	0	0	113
564	T	33.5	Very low	50.9	Low	131 Å²	131	109.9 Å²	109.9	80%	0.804	64%	0.638	S	S	*	*			trans	-150.8	101.7	169	-51.5	0	0	0	0	107.6
565	I	39.8	Very low	53.2	Low	131 Å²	131	106.4 Å²	106.4	67%	0.672	61%	0.613	S	S	*	*				74.8	104	85.8	-63.7	167.7	0	0	0	114
566	E	31.8	Very low	55.7	Low	181 Å²	181	103.3 Å²	103.3	85%	0.846	59%	0.59	S	S	*	*			trans	47.3	117.3	139.6	-57.9	175.1	160.1	0	0	122
567	S	38.7	Very low	58.2	Low	115 Å²	115	101.3 Å²	101.3	80%	0.804	58%	0.575	S	S	*	*			trans	-142.7	119.4	143.1	56.9	0	0	0	0	110.1	Q569	S567-Q569 PolarHBondContact O-N 3.01Å
568	T	51.2	Low	60.8	Low	103 Å²	103	97.8 Å²	97.8	63%	0.632	56%	0.557	S	S	*	*			trans	-85.9	100.9	-176.4	41.9	0	0	0	0	111.2
569	Q	71.2	Confident	63.7	Low	128 Å²	128	93.9 Å²	93.9	60%	0.598	53%	0.527	S	S	*	.			trans	-69.6	132	174.9	-170.1	170.2	-14.1	0	0	110.9	S567 V599	S567-Q569 PolarHBondContact O-N 3.01Å; Q569-V599 HydrophobicContact CB-CB 4.46Å; Q569-V599 HydrophobicContact CB-CG2 4.32Å; Q569-V599 HydrophobicContact CG-CG2 4.15Å; Q569-V599 WeakPolarHBondContact O-CG2 3.11Å; Q569-V599 PolarHBondContact O-N 3.08Å; Q569-V599 VanDerWaalsContact O-N 3.08Å
570	K	83	Confident	66.6	Low	72 Å²	72	92.2 Å²	92.2	31%	0.313	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	156.6	172.8	-61.6	-161.5	-172.9	-169.5	0	111.4	D596 V597 F598	K570-D596 HydrophobicContact CD-CB 3.89Å; K570-D596 VanDerWaalsContact CD-OD2 3.24Å; K570-D596 WeakPolarHBondContact CD-OD2 3.35Å; K570-D596 IonicContact NZ-OD2 3.18Å; K570-D596 PolarHBondContact NZ-OD2 2.61Å; K570-V597 CarbonylContact C-O 3.59Å; K570-V597 WeakPolarHBondContact CA-O 3.5Å; K570-F598 HydrophobicContact CD-CE1 4.35Å; K570-F598 HydrophobicContact CG-CD1 4.24Å; K570-F598 HydrophobicContact CG-CE1 4.37Å
571	E	88.6	Confident	69.2	Low	50 Å²	50	88.6 Å²	88.6	23%	0.234	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.4	173.1	-66.7	-172	147	0	0	111.1	Y573 V597 V599 K628	E571-Y573 HydrophobicContact CB-CD2 4.33Å; E571-Y573 HydrophobicContact CB-CE2 3.94Å; E571-V597 PolarHBondContact N-O 2.67Å; E571-V597 PolarHBondContact O-N 3.41Å; E571-V599 HydrophobicContact CG-CG2 3.61Å; E571-K628 WeakPolarHBondContact OE1-CE 3.44Å; E571-K628 IonicContact OE1-NZ 2.65Å; E571-K628 PolarHBondContact OE1-NZ 3.09Å; E571-K628 VanDerWaalsContact OE2-CE 3.24Å; E571-K628 WeakPolarHBondContact OE2-CE 3.32Å; E571-K628 IonicContact OE2-NZ 3.9Å; E571-K628 PolarHBondContact OE2-NZ 3.25Å
572	L	91.2	Very high	72.1	Confident	65 Å²	65	92.9 Å²	92.9	34%	0.34	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.1	-176.5	-170	63.7	0	0	0	111	L594 K629	L572-L594 HydrophobicContact CD1-CB 4.17Å; L572-K629 HydrophobicContact CD2-CD 4.09Å; L572-K629 HydrophobicContact CG-CB 4.47Å; L572-K629 WeakPolarHBondContact O-CB 3.46Å; L572-K629 PolarHBondContact O-N 2.99Å
573	Y	93.5	Very high	74.6	Confident	19 Å²	19	92.2 Å²	92.2	8%	0.075	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	160.9	177.7	-80.7	-115.2	0	0	0	110.8	E571 L594 I595 V597 L610 V626 R627 K628	E571-Y573 HydrophobicContact CB-CD2 4.33Å; E571-Y573 HydrophobicContact CB-CE2 3.94Å; Y573-L594 CarbonylContact O-C 3.56Å; Y573-L594 WeakPolarHBondContact O-CA 3.45Å; Y573-I595 PolarHBondContact N-O 3.19Å; Y573-I595 PolarHBondContact O-N 3.44Å; Y573-V597 HydrophobicContact CD1-CG2 4.4Å; Y573-V597 HydrophobicContact CD2-CB 3.77Å; Y573-V597 HydrophobicContact CD2-CG2 3.41Å; Y573-V597 VanDerWaalsContact CD2-CG2 3.41Å; Y573-V597 HydrophobicContact CE2-CB 3.94Å; Y573-V597 HydrophobicContact CE2-CG1 4.28Å; Y573-V597 HydrophobicContact CE2-CG2 3.9Å; Y573-V597 HydrophobicContact CG-CG2 3.71Å; Y573-L610 HydrophobicContact CD1-CD1 4.15Å; Y573-L610 HydrophobicContact CE1-CD1 3.77Å; Y573-V626 HydrophobicContact CD1-CB 4.01Å; Y573-V626 HydrophobicContact CD1-CG2 3.54Å; Y573-V626 HydrophobicContact CE1-CG2 4.16Å; Y573-V626 HydrophobicContact CG-CG2 4.42Å; Y573-R627 CarbonylContact C-O 3.1Å; Y573-R627 VanDerWaalsContact CA-O 3.22Å; Y573-R627 WeakPolarHBondContact CA-O 3.44Å; Y573-R627 WeakPolarHBondContact CB-O 3.41Å; Y573-R627 VanDerWaalsContact CD1-C 3.41Å; Y573-R627 WeakPolarHBondContact CD1-O 3.46Å; Y573-K628 HydrophobicContact CD1-CB 4.24Å; Y573-K628 HydrophobicContact CD2-CG 4.49Å; Y573-K628 HydrophobicContact CE1-CB 3.84Å; Y573-K628 HydrophobicContact CE2-CB 4.11Å; Y573-K628 HydrophobicContact CE2-CD 4.29Å; Y573-K628 HydrophobicContact CE2-CG 3.99Å
574	E	93.2	Very high	77.4	Confident	46 Å²	46	92.6 Å²	92.6	22%	0.215	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.6	179.2	-176.9	-171	176	0	0	109.6	M576 T593 L594 V626 R627	E574-M576 PolarHBondContact O-N 3.05Å; E574-T593 WeakPolarHBondContact CA-O 3.33Å; E574-L594 HydrophobicContact CB-CD2 4Å; E574-L594 HydrophobicContact CG-CD2 4.14Å; E574-V626 CarbonylContact O-C 3.55Å; E574-V626 VanDerWaalsContact O-CA 3.29Å; E574-V626 WeakPolarHBondContact O-CA 3.03Å; E574-R627 HydrophobicContact CB-CG 4.11Å; E574-R627 PolarHBondContact N-O 3.41Å; E574-R627 PolarHBondContact O-N 2.84Å; E574-R627 IonicContact OE1-CZ 3.26Å; E574-R627 IonicContact OE1-NH2 2.89Å; E574-R627 PolarHBondContact OE1-NH2 3.37Å; E574-R627 IonicContact OE2-CZ 2.7Å; E574-R627 IonicContact OE2-NE 3.22Å; E574-R627 PolarHBondContact OE2-NE 3.26Å; E574-R627 IonicContact OE2-NH2 2.93Å; E574-R627 PolarHBondContact OE2-NH2 3.06Å
575	A	93.5	Very high	80.1	Confident	3 Å²	3	90.5 Å²	90.5	3%	0.025	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	122.2	178.2	0	0	0	0	0	111.9	F589 T590 G592 T593 I595	A575-F589 HydrophobicContact CB-CD2 3.4Å; A575-F589 HydrophobicContact CB-CE2 3.58Å; A575-F589 HydrophobicContact CB-CG 4.34Å; A575-T590 WeakPolarHBondContact CB-O 3.26Å; A575-G592 PolarHBondContact O-N 3.4Å; A575-T593 PolarHBondContact N-O 3.04Å; A575-I595 HydrophobicContact CB-CD1 4.45Å
576	M	90.7	Very high	82.6	Confident	68 Å²	68	85.6 Å²	85.6	34%	0.335	44%	0.44	S	S	.	.	S	Bend	trans	-86.2	-24.1	175	-68.1	-179.2	62.6	0	0	112.9	E574 T591 Y625 R627	E574-M576 PolarHBondContact O-N 3.05Å; M576-T591 WeakPolarHBondContact O-CG2 3.5Å; M576-Y625 PolarHBondContact N-O 3.27Å; M576-R627 HydrophobicContact CG-CB 4.16Å; M576-R627 HydrophobicContact CG-CG 4.02Å; M576-R627 HydrophobicContact SD-CB 3.79Å; M576-R627 HydrophobicContact SD-CG 4.24Å
577	F	91.8	Very high	85.5	Confident	110 Å²	110	77.3 Å²	77.3	48%	0.482	40%	0.402	S	S	.	.	S	Bend	trans	-143.2	159.4	-178.2	-53.8	-72.4	0	0	0	110.9	F579 F589 T591 Y625	F577-F579 PolarHBondContact O-N 2.62Å; F577-F589 WeakPolarHBondContact O-CE2 3.34Å; F577-T591 WeakPolarHBondContact CA-OG1 3.44Å; F577-Y625 HydrophobicContact CB-CD1 3.74Å; F577-Y625 HydrophobicContact CB-CE1 3.98Å; F577-Y625 HydrophobicContact CB-CG 4.46Å
578	D	93.2	Very high	88.1	Confident	95 Å²	95	75 Å²	75	51%	0.508	39%	0.385	S	S	.	.			trans	-72.4	124.4	174.4	-70.3	13.7	0	0	0	110.7	T590 T591 Y625	D578-T590 WeakPolarHBondContact OD1-CA 3.16Å; D578-T591 PolarHBondContact N-OG1 2.99Å; D578-T591 WeakPolarHBondContact OD1-CB 3.29Å; D578-T591 PolarHBondContact OD1-N 3.16Å; D578-T591 PolarHBondContact OD1-OG1 3.39Å; D578-Y625 WeakPolarHBondContact O-CE1 3.39Å
579	F	93.4	Very high	90.2	Very high	23 Å²	23	70.8 Å²	70.8	10%	0.101	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-115.2	132.6	175.6	-173.8	-107.6	0	0	0	111.1	F577 E586 L587 S588 F589 W609 F621 P622 Y625	F577-F579 PolarHBondContact O-N 2.62Å; F579-E586 HydrophobicContact CE1-CB 4.24Å; F579-L587 WeakPolarHBondContact CD1-O 3.26Å; F579-S588 CarbonylContact O-C 3.45Å; F579-S588 VanDerWaalsContact O-CA 3.29Å; F579-S588 WeakPolarHBondContact O-CA 3.49Å; F579-F589 HydrophobicContact CB-CD1 4.38Å; F579-F589 HydrophobicContact CB-CD2 4.03Å; F579-F589 HydrophobicContact CB-CE1 3.99Å; F579-F589 HydrophobicContact CB-CE2 3.6Å; F579-F589 HydrophobicContact CB-CG 4.41Å; F579-F589 HydrophobicContact CB-CZ 3.58Å; F579-F589 HydrophobicContact CD1-CE1 4.23Å; F579-F589 HydrophobicContact CG-CE1 4.45Å; F579-F589 HydrophobicContact CG-CZ 4.28Å; F579-F589 PolarHBondContact N-O 3.48Å; F579-F589 PolarHBondContact O-N 3.29Å; F579-F589 VanDerWaalsContact O-O 3.07Å; F579-W609 HydrophobicContact CZ-CH2 4.48Å; F579-W609 HydrophobicContact CZ-CZ3 4.33Å; F579-F621 HydrophobicContact CD1-CB 4.12Å; F579-F621 HydrophobicContact CE1-CB 4.17Å; F579-P622 HydrophobicContact CD2-CG 4.18Å; F579-P622 VanDerWaalsContact CE2-CD 3.46Å; F579-P622 HydrophobicContact CE2-CG 3.72Å; F579-P622 HydrophobicContact CZ-CG 4.22Å; F579-Y625 HydrophobicContact CB-CD1 3.78Å; F579-Y625 HydrophobicContact CB-CE1 4.27Å; F579-Y625 AromaticContact CD2-CD1 4Å; F579-Y625 HydrophobicContact CD2-CD1 4Å; F579-Y625 HydrophobicContact CD2-CE1 4.01Å; F579-Y625 HydrophobicContact CD2-CG 4.39Å; F579-Y625 HydrophobicContact CG-CD1 4.32Å
580	T	93.9	Very high	91.3	Very high	106 Å²	106	68.6 Å²	68.6	65%	0.65	35%	0.354	S	S	*	.			trans	-120.2	114.8	177.8	-60.1	0	0	0	0	109.6	R582	T580-R582 PolarHBondContact O-N 2.86Å
581	A	90.6	Very high	91.7	Very high	31 Å²	31	69 Å²	69	26%	0.256	36%	0.362	S	S	.	.			trans	-56	131.6	175.2	0	0	0	0	0	112	E586 S588	A581-E586 WeakPolarHBondContact CA-OE2 3.4Å; A581-E586 HydrophobicContact CB-CB 3.61Å; A581-E586 WeakPolarHBondContact CB-O 3.49Å; A581-S588 VanDerWaalsContact CB-OG 3.25Å; A581-S588 WeakPolarHBondContact CB-OG 3.46Å; A581-S588 PolarHBondContact N-OG 2.89Å
582	R	88.9	Confident	91.7	Very high	218 Å²	218	68.6 Å²	68.6	82%	0.823	37%	0.372	S	S	*	.	S	Bend	trans	-102.6	-24.6	171.8	-58.2	-177.5	178.5	-153.6	-1.6	111.3	T580 E586	T580-R582 PolarHBondContact O-N 2.86Å; R582-E586 WeakPolarHBondContact CA-OE2 3.37Å; R582-E586 PolarHBondContact N-OE2 3.18Å
583	H	87.2	Confident	91.8	Very high	112 Å²	112	67 Å²	67	52%	0.519	37%	0.365	S	S	.	.	S	Bend	trans	-119.2	152.4	179.4	-60.1	-65.6	0	0	0	111.4	D585 E586	H583-D585 WeakPolarHBondContact CB-OD1 3.32Å; H583-D585 PolarHBondContact O-N 3.32Å; H583-E586 HydrophobicContact CB-CG 4.14Å; H583-E586 IonicContact CD2-OE1 3.56Å; H583-E586 PolarHBondContact N-OE2 3.37Å; H583-E586 WeakPolarHBondContact O-CB 3.44Å; H583-E586 PolarHBondContact O-N 3.2Å; H583-E586 VanDerWaalsContact O-N 3.1Å
584	P	87	Confident	91.8	Very high	138 Å²	138	70 Å²	70	90%	0.896	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-11.6	-171	30.8	-36.7	0	0	0	114.3
585	D	89.6	Confident	91.8	Very high	86 Å²	86	67.8 Å²	67.8	46%	0.46	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-3.9	173.3	55.4	-42.5	0	0	0	113.2	H583 G619 L620	H583-D585 WeakPolarHBondContact CB-OD1 3.32Å; H583-D585 PolarHBondContact O-N 3.32Å; D585-G619 CarbonylContact O-C 3.53Å; D585-G619 WeakPolarHBondContact O-CA 3.46Å; D585-L620 PolarHBondContact O-N 2.72Å
586	E	93.1	Very high	91.7	Very high	29 Å²	29	70.5 Å²	70.5	14%	0.136	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-92.9	151.6	175.8	-69.2	174.8	164.3	0	0	112.7	F579 A581 R582 H583 W609 L620	F579-E586 HydrophobicContact CE1-CB 4.24Å; A581-E586 WeakPolarHBondContact CA-OE2 3.4Å; A581-E586 HydrophobicContact CB-CB 3.61Å; A581-E586 WeakPolarHBondContact CB-O 3.49Å; R582-E586 WeakPolarHBondContact CA-OE2 3.37Å; R582-E586 PolarHBondContact N-OE2 3.18Å; H583-E586 HydrophobicContact CB-CG 4.14Å; H583-E586 IonicContact CD2-OE1 3.56Å; H583-E586 PolarHBondContact N-OE2 3.37Å; H583-E586 WeakPolarHBondContact O-CB 3.44Å; H583-E586 PolarHBondContact O-N 3.2Å; H583-E586 VanDerWaalsContact O-N 3.1Å; E586-W609 HydrophobicContact CG-CH2 4.49Å; E586-W609 HydrophobicContact CG-CZ3 4.16Å; E586-W609 VanDerWaalsContact OE1-CH2 3.32Å; E586-W609 WeakPolarHBondContact OE1-CH2 3.32Å; E586-L620 CarbonylContact C-O 3.59Å; E586-L620 VanDerWaalsContact CA-O 3.23Å; E586-L620 WeakPolarHBondContact CA-O 3.32Å
587	L	91.7	Very high	91.8	Very high	7 Å²	7	67.5 Å²	67.5	4%	0.037	37%	0.371	C	S	.	.			trans	-113.2	102.1	-172	-171.6	62.8	0	0	0	112.6	F579 F589 I614 K617 L620 F621	F579-L587 WeakPolarHBondContact CD1-O 3.26Å; L587-F589 WeakPolarHBondContact O-CD1 3.33Å; L587-F589 WeakPolarHBondContact O-CE1 3.38Å; L587-I614 HydrophobicContact CD1-CB 4.5Å; L587-I614 HydrophobicContact CD2-CB 4.26Å; L587-I614 HydrophobicContact CD2-CD1 3.76Å; L587-I614 HydrophobicContact CD2-CG1 3.75Å; L587-I614 HydrophobicContact CG-CD1 3.92Å; L587-I614 HydrophobicContact CG-CG1 4.32Å; L587-K617 HydrophobicContact CD1-CB 3.59Å; L587-L620 PolarHBondContact N-O 3.19Å; L587-F621 HydrophobicContact CB-CD1 4.16Å; L587-F621 HydrophobicContact CD2-CD1 4.17Å; L587-F621 HydrophobicContact CD2-CE1 4.13Å
588	S	93.8	Very high	91.7	Very high	66 Å²	66	63.9 Å²	63.9	46%	0.462	36%	0.356	S	S	.	.			trans	-68	139.5	176.6	-55.9	0	0	0	0	113.7	F579 A581	F579-S588 CarbonylContact O-C 3.45Å; F579-S588 VanDerWaalsContact O-CA 3.29Å; F579-S588 WeakPolarHBondContact O-CA 3.49Å; A581-S588 VanDerWaalsContact CB-OG 3.25Å; A581-S588 WeakPolarHBondContact CB-OG 3.46Å; A581-S588 PolarHBondContact N-OG 2.89Å
589	F	94.3	Very high	91.1	Very high	14 Å²	14	62.6 Å²	62.6	6%	0.061	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-155.4	163.4	174.5	52.5	-103.5	0	0	0	112.8	A575 F577 F579 L587 T593 I595 I614 F621 V626	A575-F589 HydrophobicContact CB-CD2 3.4Å; A575-F589 HydrophobicContact CB-CE2 3.58Å; A575-F589 HydrophobicContact CB-CG 4.34Å; F577-F589 WeakPolarHBondContact O-CE2 3.34Å; F579-F589 HydrophobicContact CB-CD1 4.38Å; F579-F589 HydrophobicContact CB-CD2 4.03Å; F579-F589 HydrophobicContact CB-CE1 3.99Å; F579-F589 HydrophobicContact CB-CE2 3.6Å; F579-F589 HydrophobicContact CB-CG 4.41Å; F579-F589 HydrophobicContact CB-CZ 3.58Å; F579-F589 HydrophobicContact CD1-CE1 4.23Å; F579-F589 HydrophobicContact CG-CE1 4.45Å; F579-F589 HydrophobicContact CG-CZ 4.28Å; F579-F589 PolarHBondContact N-O 3.48Å; F579-F589 PolarHBondContact O-N 3.29Å; F579-F589 VanDerWaalsContact O-O 3.07Å; L587-F589 WeakPolarHBondContact O-CD1 3.33Å; L587-F589 WeakPolarHBondContact O-CE1 3.38Å; F589-T593 HydrophobicContact CB-CG2 4.14Å; F589-I595 HydrophobicContact CD1-CD1 3.58Å; F589-I595 HydrophobicContact CD2-CD1 4.26Å; F589-I595 HydrophobicContact CE1-CD1 3.61Å; F589-I595 HydrophobicContact CE2-CD1 4.29Å; F589-I595 HydrophobicContact CG-CD1 3.92Å; F589-I595 HydrophobicContact CZ-CD1 3.98Å; F589-I614 HydrophobicContact CB-CD1 3.68Å; F589-I614 HydrophobicContact CD1-CD1 3.8Å; F589-I614 HydrophobicContact CG-CD1 4.12Å; F589-F621 HydrophobicContact CE1-CB 3.6Å; F589-F621 HydrophobicContact CE1-CD1 4.15Å; F589-F621 AromaticContact CE1-CD2 3.98Å; F589-F621 HydrophobicContact CE1-CD2 3.98Å; F589-F621 AromaticContact CE1-CG 3.65Å; F589-F621 HydrophobicContact CE1-CG 3.65Å; F589-F621 HydrophobicContact CZ-CB 4.12Å; F589-F621 HydrophobicContact CZ-CD2 4.19Å; F589-F621 HydrophobicContact CZ-CG 4.24Å; F589-V626 HydrophobicContact CE2-CG1 4.37Å; F589-V626 HydrophobicContact CZ-CG1 3.94Å
590	T	94.3	Very high	90.4	Very high	83 Å²	83	67 Å²	67	51%	0.509	38%	0.375	S	S	.	.			trans	-104.8	159	171.7	54	0	0	0	0	111.5	A575 D578 G592 T593	A575-T590 WeakPolarHBondContact CB-O 3.26Å; D578-T590 WeakPolarHBondContact OD1-CA 3.16Å; T590-G592 PolarHBondContact O-N 3.15Å; T590-T593 PolarHBondContact N-OG1 3.39Å; T590-T593 WeakPolarHBondContact O-CB 3.29Å; T590-T593 PolarHBondContact O-N 2.89Å; T590-T593 PolarHBondContact O-OG1 2.99Å; T590-T593 PolarHBondContact OG1-OG1 3.13Å
591	T	91.9	Very high	89.6	Confident	79 Å²	79	63.6 Å²	63.6	49%	0.485	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	134.3	173.4	-53.4	0	0	0	0	111.2	M576 F577 D578 T593	M576-T591 WeakPolarHBondContact O-CG2 3.5Å; F577-T591 WeakPolarHBondContact CA-OG1 3.44Å; D578-T591 PolarHBondContact N-OG1 2.99Å; D578-T591 WeakPolarHBondContact OD1-CB 3.29Å; D578-T591 PolarHBondContact OD1-N 3.16Å; D578-T591 PolarHBondContact OD1-OG1 3.39Å; T591-T593 VanDerWaalsContact C-N 3.33Å
592	G	89.4	Confident	89	Confident	43 Å²	43	66.9 Å²	66.9	44%	0.443	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-2.4	-174.9	0	0	0	0	0	115.7	A575 T590	A575-G592 PolarHBondContact O-N 3.4Å; T590-G592 PolarHBondContact O-N 3.15Å
593	T	93.2	Very high	88.5	Confident	32 Å²	32	60.1 Å²	60.1	20%	0.196	36%	0.356	C	S	.	.			trans	-66.3	137.2	172.2	-55.2	0	0	0	0	110.5	E574 A575 F589 T590 T591 I614	E574-T593 WeakPolarHBondContact CA-O 3.33Å; A575-T593 PolarHBondContact N-O 3.04Å; F589-T593 HydrophobicContact CB-CG2 4.14Å; T590-T593 PolarHBondContact N-OG1 3.39Å; T590-T593 WeakPolarHBondContact O-CB 3.29Å; T590-T593 PolarHBondContact O-N 2.89Å; T590-T593 PolarHBondContact O-OG1 2.99Å; T590-T593 PolarHBondContact OG1-OG1 3.13Å; T591-T593 VanDerWaalsContact C-N 3.33Å; T593-I614 HydrophobicContact CG2-CD1 3.98Å; T593-I614 HydrophobicContact CG2-CG1 4.43Å; T593-I614 HydrophobicContact CG2-CG2 3.93Å
594	L	92.5	Very high	88.1	Confident	80 Å²	80	62.5 Å²	62.5	42%	0.419	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.5	173.5	-63.1	178.1	0	0	0	110.9	L572 Y573 E574 K629	L572-L594 HydrophobicContact CD1-CB 4.17Å; Y573-L594 CarbonylContact O-C 3.56Å; Y573-L594 WeakPolarHBondContact O-CA 3.45Å; E574-L594 HydrophobicContact CB-CD2 4Å; E574-L594 HydrophobicContact CG-CD2 4.14Å; L594-K629 HydrophobicContact CD2-CD 3.81Å
595	I	93.1	Very high	87.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	127.6	-167.9	-47	-176.8	0	0	0	110.4	Y573 A575 F589 V597 I614 F621 V626	Y573-I595 PolarHBondContact N-O 3.19Å; Y573-I595 PolarHBondContact O-N 3.44Å; A575-I595 HydrophobicContact CB-CD1 4.45Å; F589-I595 HydrophobicContact CD1-CD1 3.58Å; F589-I595 HydrophobicContact CD2-CD1 4.26Å; F589-I595 HydrophobicContact CE1-CD1 3.61Å; F589-I595 HydrophobicContact CE2-CD1 4.29Å; F589-I595 HydrophobicContact CG-CD1 3.92Å; F589-I595 HydrophobicContact CZ-CD1 3.98Å; I595-V597 PolarHBondContact O-N 2.69Å; I595-I614 HydrophobicContact CB-CD1 4.41Å; I595-I614 HydrophobicContact CB-CG1 4.15Å; I595-I614 HydrophobicContact CD1-CD1 3.79Å; I595-I614 HydrophobicContact CD1-CG1 4.48Å; I595-I614 HydrophobicContact CG1-CD1 3.63Å; I595-I614 HydrophobicContact CG1-CG1 3.85Å; I595-I614 HydrophobicContact CG2-CD1 4.18Å; I595-I614 HydrophobicContact CG2-CG1 3.84Å; I595-F621 HydrophobicContact CB-CZ 4.47Å; I595-F621 HydrophobicContact CD1-CE2 4.43Å; I595-F621 HydrophobicContact CD1-CZ 4.37Å; I595-F621 HydrophobicContact CG2-CE1 3.7Å; I595-F621 HydrophobicContact CG2-CE2 4.46Å; I595-F621 HydrophobicContact CG2-CZ 3.5Å; I595-V626 HydrophobicContact CD1-CG1 3.76Å
596	D	92.9	Very high	87.5	Confident	61 Å²	61	55.4 Å²	55.4	33%	0.326	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	96	177.2	-104.4	14.7	0	0	0	109.6	K570 G612 Q613	K570-D596 HydrophobicContact CD-CB 3.89Å; K570-D596 VanDerWaalsContact CD-OD2 3.24Å; K570-D596 WeakPolarHBondContact CD-OD2 3.35Å; K570-D596 IonicContact NZ-OD2 3.18Å; K570-D596 PolarHBondContact NZ-OD2 2.61Å; D596-G612 CarbonylContact O-C 3.57Å; D596-G612 WeakPolarHBondContact O-CA 3.35Å; D596-Q613 HydrophobicContact CB-CB 4.02Å; D596-Q613 PolarHBondContact N-O 3.03Å; D596-Q613 PolarHBondContact O-N 3.13Å
597	V	91.8	Very high	87	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.03	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	135.7	177.2	174.1	0	0	0	0	110.5	K570 E571 Y573 I595 L610 F621	K570-V597 CarbonylContact C-O 3.59Å; K570-V597 WeakPolarHBondContact CA-O 3.5Å; E571-V597 PolarHBondContact N-O 2.67Å; E571-V597 PolarHBondContact O-N 3.41Å; Y573-V597 HydrophobicContact CD1-CG2 4.4Å; Y573-V597 HydrophobicContact CD2-CB 3.77Å; Y573-V597 HydrophobicContact CD2-CG2 3.41Å; Y573-V597 VanDerWaalsContact CD2-CG2 3.41Å; Y573-V597 HydrophobicContact CE2-CB 3.94Å; Y573-V597 HydrophobicContact CE2-CG1 4.28Å; Y573-V597 HydrophobicContact CE2-CG2 3.9Å; Y573-V597 HydrophobicContact CG-CG2 3.71Å; I595-V597 PolarHBondContact O-N 2.69Å; V597-L610 HydrophobicContact CG1-CB 4.46Å; V597-L610 HydrophobicContact CG1-CD2 4.35Å; V597-L610 HydrophobicContact CG2-CD1 4.2Å; V597-F621 HydrophobicContact CG2-CE2 4.45Å; V597-F621 HydrophobicContact CG2-CZ 3.88Å
598	F	89.2	Confident	86.8	Confident	34 Å²	34	61.8 Å²	61.8	15%	0.149	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.4	173.3	-65.5	-92.6	0	0	0	110.2	K570 N600 Y611 Q613 V618	K570-F598 HydrophobicContact CD-CE1 4.35Å; K570-F598 HydrophobicContact CG-CD1 4.24Å; K570-F598 HydrophobicContact CG-CE1 4.37Å; F598-N600 VanDerWaalsContact C-N 3.28Å; F598-N600 PolarHBondContact O-N 2.7Å; F598-Y611 HydrophobicContact CB-CD1 4.44Å; F598-Y611 AromaticContact CD2-CD1 3.68Å; F598-Y611 HydrophobicContact CD2-CD1 3.68Å; F598-Y611 AromaticContact CD2-CE1 3.92Å; F598-Y611 HydrophobicContact CD2-CE1 3.92Å; F598-Y611 HydrophobicContact CE2-CD1 4.31Å; F598-Y611 HydrophobicContact CE2-CE1 4.12Å; F598-Y611 HydrophobicContact CG-CD1 4.33Å; F598-Y611 PolarHBondContact N-O 3.48Å; F598-Q613 HydrophobicContact CE2-CB 4.1Å; F598-Q613 HydrophobicContact CZ-CB 4.48Å; F598-V618 HydrophobicContact CE2-CG1 4.23Å
599	V	81.4	Confident	86.7	Confident	67 Å²	67	63 Å²	63	41%	0.406	38%	0.381	S	S	.	.	S	Bend	trans	-62.7	-39.4	178.5	-179.5	0	0	0	0	111	Q569 E571	Q569-V599 HydrophobicContact CB-CB 4.46Å; Q569-V599 HydrophobicContact CB-CG2 4.32Å; Q569-V599 HydrophobicContact CG-CG2 4.15Å; Q569-V599 WeakPolarHBondContact O-CG2 3.11Å; Q569-V599 PolarHBondContact O-N 3.08Å; Q569-V599 VanDerWaalsContact O-N 3.08Å; E571-V599 HydrophobicContact CG-CG2 3.61Å
600	N	77.7	Confident	86.6	Confident	116 Å²	116	63.5 Å²	63.5	62%	0.62	39%	0.385	S	S	*	.	S	Bend	trans	-109.8	88.8	170.9	-64.9	-34.2	0	0	0	108.1	F598	F598-N600 VanDerWaalsContact C-N 3.28Å; F598-N600 PolarHBondContact O-N 2.7Å
601	A	77.6	Confident	86.6	Confident	35 Å²	35	61.3 Å²	61.3	29%	0.289	37%	0.368	S	S	.	.			trans	-65	139	177.3	0	0	0	0	0	111.2	I603 V605 Y611	A601-I603 PolarHBondContact O-N 2.77Å; A601-V605 HydrophobicContact CB-CG2 3.62Å; A601-Y611 HydrophobicContact CB-CD1 4.13Å; A601-Y611 HydrophobicContact CB-CG 4.3Å
602	P	77.6	Confident	86.6	Confident	99 Å²	99	57.5 Å²	57.5	64%	0.643	34%	0.344	S	S	*	.	S	Bend	trans	-76.2	0.1	177.9	32.5	-36.6	0	0	0	113.8	Y611	P602-Y611 HydrophobicContact CG-CD1 4.46Å; P602-Y611 HydrophobicContact CG-CE1 3.79Å
603	I	80.3	Confident	86.8	Confident	76 Å²	76	57.8 Å²	57.8	39%	0.39	33%	0.334	S	S	.	.	S	Bend	trans	-125	157.2	174.8	62.5	171.2	0	0	0	109.4	A601 V605 Y611 L620	A601-I603 PolarHBondContact O-N 2.77Å; I603-V605 HydrophobicContact CG1-CG2 4.15Å; I603-V605 PolarHBondContact O-N 3.42Å; I603-Y611 HydrophobicContact CD1-CD2 3.52Å; I603-Y611 HydrophobicContact CD1-CE2 3.64Å; I603-Y611 HydrophobicContact CD1-CG 4.28Å; I603-Y611 HydrophobicContact CG1-CD2 3.97Å; I603-Y611 HydrophobicContact CG1-CE2 4.17Å; I603-Y611 HydrophobicContact CG1-CG 4.27Å; I603-L620 HydrophobicContact CD1-CD1 4.24Å; I603-L620 HydrophobicContact CD1-CD2 4.07Å; I603-L620 HydrophobicContact CD1-CG 4.12Å
604	N	78	Confident	86.7	Confident	162 Å²	162	57.1 Å²	57.1	87%	0.866	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-73.6	116.1	173.9	-167.2	-53.2	0	0	0	109.2
605	V	83.2	Confident	86.3	Confident	41 Å²	41	60.6 Å²	60.6	25%	0.248	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-102.2	126.9	-177.3	-174.5	0	0	0	0	109.2	A601 I603 W609 L620	A601-V605 HydrophobicContact CB-CG2 3.62Å; I603-V605 HydrophobicContact CG1-CG2 4.15Å; I603-V605 PolarHBondContact O-N 3.42Å; V605-W609 HydrophobicContact CG1-CB 3.71Å; V605-W609 WeakPolarHBondContact CG1-O 3.36Å; V605-L620 HydrophobicContact CG1-CD2 3.89Å; V605-L620 HydrophobicContact CG2-CD2 4.1Å
606	G	79.9	Confident	85.8	Confident	34 Å²	34	67.4 Å²	67.4	35%	0.351	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-69.2	154.8	177.7	0	0	0	0	0	112.9	G608 W609	G606-G608 PolarHBondContact O-N 2.93Å; G606-W609 WeakPolarHBondContact O-CB 3.33Å; G606-W609 PolarHBondContact O-N 3.31Å; G606-W609 VanDerWaalsContact O-N 3.11Å
607	P	83.6	Confident	85.6	Confident	136 Å²	136	71.7 Å²	71.7	88%	0.883	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	136.3	178.9	25.4	-34.5	0	0	0	111.6	W609	P607-W609 VanDerWaalsContact C-N 3.32Å
608	G	87.5	Confident	85.6	Confident	34 Å²	34	74.7 Å²	74.7	35%	0.351	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	6.9	-175.5	0	0	0	0	0	115	G606 P622 E623	G606-G608 PolarHBondContact O-N 2.93Å; G608-P622 WeakPolarHBondContact O-CA 3.46Å; G608-E623 WeakPolarHBondContact O-CB 3.32Å; G608-E623 PolarHBondContact O-N 3.34Å
609	W	91.5	Very high	85.8	Confident	91 Å²	91	73.1 Å²	73.1	35%	0.345	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	153	168.5	-67.8	79	0	0	0	110.6	F579 E586 V605 G606 P607 L620 F621 P622	F579-W609 HydrophobicContact CZ-CH2 4.48Å; F579-W609 HydrophobicContact CZ-CZ3 4.33Å; E586-W609 HydrophobicContact CG-CH2 4.49Å; E586-W609 HydrophobicContact CG-CZ3 4.16Å; E586-W609 VanDerWaalsContact OE1-CH2 3.32Å; E586-W609 WeakPolarHBondContact OE1-CH2 3.32Å; V605-W609 HydrophobicContact CG1-CB 3.71Å; V605-W609 WeakPolarHBondContact CG1-O 3.36Å; G606-W609 WeakPolarHBondContact O-CB 3.33Å; G606-W609 PolarHBondContact O-N 3.31Å; G606-W609 VanDerWaalsContact O-N 3.11Å; P607-W609 VanDerWaalsContact C-N 3.32Å; W609-L620 HydrophobicContact CE3-CB 3.92Å; W609-L620 HydrophobicContact CZ3-CB 4.25Å; W609-F621 CarbonylContact C-O 3.55Å; W609-F621 WeakPolarHBondContact CA-O 3.39Å; W609-P622 HydrophobicContact CE3-CG 4.47Å; W609-P622 HydrophobicContact CH2-CG 4.3Å; W609-P622 HydrophobicContact CZ3-CG 4.22Å
610	L	91.9	Very high	86.3	Confident	26 Å²	26	71.1 Å²	71.1	14%	0.136	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	154.1	171.1	-65.1	176.4	0	0	0	109.6	Y573 V597 L620 F621 E623 V626	Y573-L610 HydrophobicContact CD1-CD1 4.15Å; Y573-L610 HydrophobicContact CE1-CD1 3.77Å; V597-L610 HydrophobicContact CG1-CB 4.46Å; V597-L610 HydrophobicContact CG1-CD2 4.35Å; V597-L610 HydrophobicContact CG2-CD1 4.2Å; L610-L620 WeakPolarHBondContact O-CA 3.32Å; L610-F621 HydrophobicContact CB-CD2 4.25Å; L610-F621 HydrophobicContact CB-CE2 3.71Å; L610-F621 HydrophobicContact CB-CZ 3.98Å; L610-F621 HydrophobicContact CD1-CE2 4.16Å; L610-F621 PolarHBondContact N-O 3.19Å; L610-F621 PolarHBondContact O-N 3.17Å; L610-E623 HydrophobicContact CD1-CB 4.25Å; L610-E623 HydrophobicContact CD1-CG 4.08Å; L610-E623 HydrophobicContact CG-CB 4.03Å; L610-E623 HydrophobicContact CG-CG 4.21Å; L610-V626 HydrophobicContact CD1-CG2 3.78Å
611	Y	93.6	Very high	87	Confident	36 Å²	36	65.6 Å²	65.6	14%	0.141	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.4	173.8	-177.3	-100	0	0	0	109.5	F598 A601 P602 I603 V618 L620	F598-Y611 HydrophobicContact CB-CD1 4.44Å; F598-Y611 AromaticContact CD2-CD1 3.68Å; F598-Y611 HydrophobicContact CD2-CD1 3.68Å; F598-Y611 AromaticContact CD2-CE1 3.92Å; F598-Y611 HydrophobicContact CD2-CE1 3.92Å; F598-Y611 HydrophobicContact CE2-CD1 4.31Å; F598-Y611 HydrophobicContact CE2-CE1 4.12Å; F598-Y611 HydrophobicContact CG-CD1 4.33Å; F598-Y611 PolarHBondContact N-O 3.48Å; A601-Y611 HydrophobicContact CB-CD1 4.13Å; A601-Y611 HydrophobicContact CB-CG 4.3Å; P602-Y611 HydrophobicContact CG-CD1 4.46Å; P602-Y611 HydrophobicContact CG-CE1 3.79Å; I603-Y611 HydrophobicContact CD1-CD2 3.52Å; I603-Y611 HydrophobicContact CD1-CE2 3.64Å; I603-Y611 HydrophobicContact CD1-CG 4.28Å; I603-Y611 HydrophobicContact CG1-CD2 3.97Å; I603-Y611 HydrophobicContact CG1-CE2 4.17Å; I603-Y611 HydrophobicContact CG1-CG 4.27Å; Y611-V618 HydrophobicContact CE1-CB 4.48Å; Y611-V618 HydrophobicContact CE2-CB 4.43Å; Y611-V618 WeakPolarHBondContact OH-CG2 3.46Å; Y611-L620 HydrophobicContact CD2-CD2 4.21Å; Y611-L620 HydrophobicContact CD2-CG 4.33Å
612	G	92.3	Very high	87.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	-179.1	-173.9	0	0	0	0	0	114.5	D596 V618 G619	D596-G612 CarbonylContact O-C 3.57Å; D596-G612 WeakPolarHBondContact O-CA 3.35Å; G612-V618 VanDerWaalsContact O-CA 3.24Å; G612-V618 WeakPolarHBondContact O-CA 3.22Å; G612-G619 PolarHBondContact N-O 2.82Å; G612-G619 VanDerWaalsContact N-O 3.09Å; G612-G619 PolarHBondContact O-N 3.24Å
613	Q	93.4	Very high	88.4	Confident	48 Å²	48	64.3 Å²	64.3	22%	0.224	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.6	-176.5	-172.9	178.5	-8.1	0	0	111.5	D596 F598 D616 K617 V618	D596-Q613 HydrophobicContact CB-CB 4.02Å; D596-Q613 PolarHBondContact N-O 3.03Å; D596-Q613 PolarHBondContact O-N 3.13Å; F598-Q613 HydrophobicContact CE2-CB 4.1Å; F598-Q613 HydrophobicContact CZ-CB 4.48Å; Q613-D616 PolarHBondContact NE2-OD1 3.01Å; Q613-D616 VanDerWaalsContact NE2-OD1 3.1Å; Q613-K617 CarbonylContact C-O 3.46Å; Q613-K617 VanDerWaalsContact CA-O 3.27Å; Q613-K617 WeakPolarHBondContact CA-O 3.47Å; Q613-V618 HydrophobicContact CB-CG1 3.97Å; Q613-V618 HydrophobicContact CG-CG1 4Å
614	I	91.4	Very high	89	Confident	18 Å²	18	65.7 Å²	65.7	9%	0.092	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	122.3	169.7	-57.1	169.3	0	0	0	107.5	L587 F589 T593 I595 D616 K617	L587-I614 HydrophobicContact CD1-CB 4.5Å; L587-I614 HydrophobicContact CD2-CB 4.26Å; L587-I614 HydrophobicContact CD2-CD1 3.76Å; L587-I614 HydrophobicContact CD2-CG1 3.75Å; L587-I614 HydrophobicContact CG-CD1 3.92Å; L587-I614 HydrophobicContact CG-CG1 4.32Å; F589-I614 HydrophobicContact CB-CD1 3.68Å; F589-I614 HydrophobicContact CD1-CD1 3.8Å; F589-I614 HydrophobicContact CG-CD1 4.12Å; T593-I614 HydrophobicContact CG2-CD1 3.98Å; T593-I614 HydrophobicContact CG2-CG1 4.43Å; T593-I614 HydrophobicContact CG2-CG2 3.93Å; I595-I614 HydrophobicContact CB-CD1 4.41Å; I595-I614 HydrophobicContact CB-CG1 4.15Å; I595-I614 HydrophobicContact CD1-CD1 3.79Å; I595-I614 HydrophobicContact CD1-CG1 4.48Å; I595-I614 HydrophobicContact CG1-CD1 3.63Å; I595-I614 HydrophobicContact CG1-CG1 3.85Å; I595-I614 HydrophobicContact CG2-CD1 4.18Å; I595-I614 HydrophobicContact CG2-CG1 3.84Å; I614-D616 VanDerWaalsContact C-N 3.3Å; I614-D616 PolarHBondContact O-N 3.17Å; I614-K617 PolarHBondContact N-O 3.04Å; I614-K617 WeakPolarHBondContact O-CB 3.31Å; I614-K617 PolarHBondContact O-N 3.47Å
615	N	83.6	Confident	89.7	Confident	154 Å²	154	61.9 Å²	61.9	82%	0.824	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	52.5	175	-58.7	-32	0	0	0	112.9	K617	N615-K617 PolarHBondContact O-N 2.93Å
616	D	83.2	Confident	90.2	Very high	142 Å²	142	60.5 Å²	60.5	76%	0.759	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	3.5	-178	-56.9	-35.1	0	0	0	117.5	Q613 I614	Q613-D616 PolarHBondContact NE2-OD1 3.01Å; Q613-D616 VanDerWaalsContact NE2-OD1 3.1Å; I614-D616 VanDerWaalsContact C-N 3.3Å; I614-D616 PolarHBondContact O-N 3.17Å
617	K	89.5	Confident	90.7	Very high	151 Å²	151	64.7 Å²	64.7	66%	0.657	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	135.1	160.3	-65.6	-172.8	176.8	-173.8	0	109.8	L587 Q613 I614 N615	L587-K617 HydrophobicContact CD1-CB 3.59Å; Q613-K617 CarbonylContact C-O 3.46Å; Q613-K617 VanDerWaalsContact CA-O 3.27Å; Q613-K617 WeakPolarHBondContact CA-O 3.47Å; I614-K617 PolarHBondContact N-O 3.04Å; I614-K617 WeakPolarHBondContact O-CB 3.31Å; I614-K617 PolarHBondContact O-N 3.47Å; N615-K617 PolarHBondContact O-N 2.93Å
618	V	91.6	Very high	90.9	Very high	68 Å²	68	62.5 Å²	62.5	41%	0.412	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	151.6	168.6	-68.3	0	0	0	0	109.8	F598 Y611 G612 Q613	F598-V618 HydrophobicContact CE2-CG1 4.23Å; Y611-V618 HydrophobicContact CE1-CB 4.48Å; Y611-V618 HydrophobicContact CE2-CB 4.43Å; Y611-V618 WeakPolarHBondContact OH-CG2 3.46Å; G612-V618 VanDerWaalsContact O-CA 3.24Å; G612-V618 WeakPolarHBondContact O-CA 3.22Å; Q613-V618 HydrophobicContact CB-CG1 3.97Å; Q613-V618 HydrophobicContact CG-CG1 4Å
619	G	92.1	Very high	90.7	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.6	177.4	174	0	0	0	0	0	114.1	D585 G612	D585-G619 CarbonylContact O-C 3.53Å; D585-G619 WeakPolarHBondContact O-CA 3.46Å; G612-G619 PolarHBondContact N-O 2.82Å; G612-G619 VanDerWaalsContact N-O 3.09Å; G612-G619 PolarHBondContact O-N 3.24Å
620	L	92.4	Very high	89.6	Confident	25 Å²	25	65.8 Å²	65.8	13%	0.131	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	145.3	178.1	-69.9	168.2	0	0	0	111.7	D585 E586 L587 I603 V605 W609 L610 Y611	D585-L620 PolarHBondContact O-N 2.72Å; E586-L620 CarbonylContact C-O 3.59Å; E586-L620 VanDerWaalsContact CA-O 3.23Å; E586-L620 WeakPolarHBondContact CA-O 3.32Å; L587-L620 PolarHBondContact N-O 3.19Å; I603-L620 HydrophobicContact CD1-CD1 4.24Å; I603-L620 HydrophobicContact CD1-CD2 4.07Å; I603-L620 HydrophobicContact CD1-CG 4.12Å; V605-L620 HydrophobicContact CG1-CD2 3.89Å; V605-L620 HydrophobicContact CG2-CD2 4.1Å; W609-L620 HydrophobicContact CE3-CB 3.92Å; W609-L620 HydrophobicContact CZ3-CB 4.25Å; L610-L620 WeakPolarHBondContact O-CA 3.32Å; Y611-L620 HydrophobicContact CD2-CD2 4.21Å; Y611-L620 HydrophobicContact CD2-CG 4.33Å
621	F	93.8	Very high	87.8	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	157.9	168.7	50.6	-89.5	0	0	0	110.8	F579 L587 F589 I595 V597 W609 L610 V626	F579-F621 HydrophobicContact CD1-CB 4.12Å; F579-F621 HydrophobicContact CE1-CB 4.17Å; L587-F621 HydrophobicContact CB-CD1 4.16Å; L587-F621 HydrophobicContact CD2-CD1 4.17Å; L587-F621 HydrophobicContact CD2-CE1 4.13Å; F589-F621 HydrophobicContact CE1-CB 3.6Å; F589-F621 HydrophobicContact CE1-CD1 4.15Å; F589-F621 AromaticContact CE1-CD2 3.98Å; F589-F621 HydrophobicContact CE1-CD2 3.98Å; F589-F621 AromaticContact CE1-CG 3.65Å; F589-F621 HydrophobicContact CE1-CG 3.65Å; F589-F621 HydrophobicContact CZ-CB 4.12Å; F589-F621 HydrophobicContact CZ-CD2 4.19Å; F589-F621 HydrophobicContact CZ-CG 4.24Å; I595-F621 HydrophobicContact CB-CZ 4.47Å; I595-F621 HydrophobicContact CD1-CE2 4.43Å; I595-F621 HydrophobicContact CD1-CZ 4.37Å; I595-F621 HydrophobicContact CG2-CE1 3.7Å; I595-F621 HydrophobicContact CG2-CE2 4.46Å; I595-F621 HydrophobicContact CG2-CZ 3.5Å; V597-F621 HydrophobicContact CG2-CE2 4.45Å; V597-F621 HydrophobicContact CG2-CZ 3.88Å; W609-F621 CarbonylContact C-O 3.55Å; W609-F621 WeakPolarHBondContact CA-O 3.39Å; L610-F621 HydrophobicContact CB-CD2 4.25Å; L610-F621 HydrophobicContact CB-CE2 3.71Å; L610-F621 HydrophobicContact CB-CZ 3.98Å; L610-F621 HydrophobicContact CD1-CE2 4.16Å; L610-F621 PolarHBondContact N-O 3.19Å; L610-F621 PolarHBondContact O-N 3.17Å; F621-V626 HydrophobicContact CD2-CG1 3.94Å; F621-V626 HydrophobicContact CD2-CG2 4.4Å; F621-V626 HydrophobicContact CE2-CB 4.48Å; F621-V626 HydrophobicContact CE2-CG1 3.73Å; F621-V626 HydrophobicContact CE2-CG2 3.92Å
622	P	92.8	Very high	85.6	Confident	17 Å²	17	72.2 Å²	72.2	11%	0.11	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	135.9	178.9	-19.1	32.1	0	0	0	111.8	F579 G608 W609 T624 Y625	F579-P622 HydrophobicContact CD2-CG 4.18Å; F579-P622 VanDerWaalsContact CE2-CD 3.46Å; F579-P622 HydrophobicContact CE2-CG 3.72Å; F579-P622 HydrophobicContact CZ-CG 4.22Å; G608-P622 WeakPolarHBondContact O-CA 3.46Å; W609-P622 HydrophobicContact CE3-CG 4.47Å; W609-P622 HydrophobicContact CH2-CG 4.3Å; W609-P622 HydrophobicContact CZ3-CG 4.22Å; P622-T624 PolarHBondContact O-N 2.62Å; P622-Y625 HydrophobicContact CB-CD2 3.83Å; P622-Y625 HydrophobicContact CB-CE2 4.48Å; P622-Y625 HydrophobicContact CG-CD2 4.03Å; P622-Y625 HydrophobicContact CG-CE2 4.4Å; P622-Y625 PolarHBondContact O-N 3.27Å; P622-Y625 VanDerWaalsContact O-N 3.1Å
623	E	91.9	Very high	83.5	Confident	90 Å²	90	82.6 Å²	82.6	42%	0.421	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-56.5	-35.9	174.9	-177.8	172.7	-160.8	0	0	111.6	G608 L610 Y625 V626	G608-E623 WeakPolarHBondContact O-CB 3.32Å; G608-E623 PolarHBondContact O-N 3.34Å; L610-E623 HydrophobicContact CD1-CB 4.25Å; L610-E623 HydrophobicContact CD1-CG 4.08Å; L610-E623 HydrophobicContact CG-CB 4.03Å; L610-E623 HydrophobicContact CG-CG 4.21Å; E623-Y625 PolarHBondContact O-N 3.31Å; E623-Y625 VanDerWaalsContact O-N 3.16Å; E623-V626 VanDerWaalsContact O-CG2 3.25Å; E623-V626 WeakPolarHBondContact O-CG2 3.46Å; E623-V626 PolarHBondContact O-N 2.77Å
624	T	91.4	Very high	81.3	Confident	105 Å²	105	87.4 Å²	87.4	64%	0.644	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-69	-8.1	179.7	54.8	0	0	0	0	115	P622	P622-T624 PolarHBondContact O-N 2.62Å
625	Y	93.3	Very high	79.2	Confident	82 Å²	82	91 Å²	91	32%	0.322	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-93.5	-2.3	176.9	-84.7	-116.1	0	0	0	113.1	M576 F577 D578 F579 P622 E623	M576-Y625 PolarHBondContact N-O 3.27Å; F577-Y625 HydrophobicContact CB-CD1 3.74Å; F577-Y625 HydrophobicContact CB-CE1 3.98Å; F577-Y625 HydrophobicContact CB-CG 4.46Å; D578-Y625 WeakPolarHBondContact O-CE1 3.39Å; F579-Y625 HydrophobicContact CB-CD1 3.78Å; F579-Y625 HydrophobicContact CB-CE1 4.27Å; F579-Y625 AromaticContact CD2-CD1 4Å; F579-Y625 HydrophobicContact CD2-CD1 4Å; F579-Y625 HydrophobicContact CD2-CE1 4.01Å; F579-Y625 HydrophobicContact CD2-CG 4.39Å; F579-Y625 HydrophobicContact CG-CD1 4.32Å; P622-Y625 HydrophobicContact CB-CD2 3.83Å; P622-Y625 HydrophobicContact CB-CE2 4.48Å; P622-Y625 HydrophobicContact CG-CD2 4.03Å; P622-Y625 HydrophobicContact CG-CE2 4.4Å; P622-Y625 PolarHBondContact O-N 3.27Å; P622-Y625 VanDerWaalsContact O-N 3.1Å; E623-Y625 PolarHBondContact O-N 3.31Å; E623-Y625 VanDerWaalsContact O-N 3.16Å
626	V	92.8	Very high	77.9	Confident	12 Å²	12	89.1 Å²	89.1	7%	0.073	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	159.1	-174.4	-62.1	0	0	0	0	112.1	Y573 E574 F589 I595 L610 F621 E623	Y573-V626 HydrophobicContact CD1-CB 4.01Å; Y573-V626 HydrophobicContact CD1-CG2 3.54Å; Y573-V626 HydrophobicContact CE1-CG2 4.16Å; Y573-V626 HydrophobicContact CG-CG2 4.42Å; E574-V626 CarbonylContact O-C 3.55Å; E574-V626 VanDerWaalsContact O-CA 3.29Å; E574-V626 WeakPolarHBondContact O-CA 3.03Å; F589-V626 HydrophobicContact CE2-CG1 4.37Å; F589-V626 HydrophobicContact CZ-CG1 3.94Å; I595-V626 HydrophobicContact CD1-CG1 3.76Å; L610-V626 HydrophobicContact CD1-CG2 3.78Å; F621-V626 HydrophobicContact CD2-CG1 3.94Å; F621-V626 HydrophobicContact CD2-CG2 4.4Å; F621-V626 HydrophobicContact CE2-CB 4.48Å; F621-V626 HydrophobicContact CE2-CG1 3.73Å; F621-V626 HydrophobicContact CE2-CG2 3.92Å; E623-V626 VanDerWaalsContact O-CG2 3.25Å; E623-V626 WeakPolarHBondContact O-CG2 3.46Å; E623-V626 PolarHBondContact O-N 2.77Å
627	R	90.4	Very high	76.2	Confident	123 Å²	123	91.5 Å²	91.5	46%	0.464	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.4	165.3	61.4	-179.1	-178	-161.1	-3.7	110.9	Y573 E574 M576 K629	Y573-R627 CarbonylContact C-O 3.1Å; Y573-R627 VanDerWaalsContact CA-O 3.22Å; Y573-R627 WeakPolarHBondContact CA-O 3.44Å; Y573-R627 WeakPolarHBondContact CB-O 3.41Å; Y573-R627 VanDerWaalsContact CD1-C 3.41Å; Y573-R627 WeakPolarHBondContact CD1-O 3.46Å; E574-R627 HydrophobicContact CB-CG 4.11Å; E574-R627 PolarHBondContact N-O 3.41Å; E574-R627 PolarHBondContact O-N 2.84Å; E574-R627 IonicContact OE1-CZ 3.26Å; E574-R627 IonicContact OE1-NH2 2.89Å; E574-R627 PolarHBondContact OE1-NH2 3.37Å; E574-R627 IonicContact OE2-CZ 2.7Å; E574-R627 IonicContact OE2-NE 3.22Å; E574-R627 PolarHBondContact OE2-NE 3.26Å; E574-R627 IonicContact OE2-NH2 2.93Å; E574-R627 PolarHBondContact OE2-NH2 3.06Å; M576-R627 HydrophobicContact CG-CB 4.16Å; M576-R627 HydrophobicContact CG-CG 4.02Å; M576-R627 HydrophobicContact SD-CB 3.79Å; M576-R627 HydrophobicContact SD-CG 4.24Å; R627-K629 PolarHBondContact O-N 3.23Å
628	K	89.4	Confident	74.6	Confident	90 Å²	90	86.8 Å²	86.8	39%	0.391	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	124.7	170.8	-172.9	165.6	-179.7	160.4	0	109.1	E571 Y573 V630	E571-K628 WeakPolarHBondContact OE1-CE 3.44Å; E571-K628 IonicContact OE1-NZ 2.65Å; E571-K628 PolarHBondContact OE1-NZ 3.09Å; E571-K628 VanDerWaalsContact OE2-CE 3.24Å; E571-K628 WeakPolarHBondContact OE2-CE 3.32Å; E571-K628 IonicContact OE2-NZ 3.9Å; E571-K628 PolarHBondContact OE2-NZ 3.25Å; Y573-K628 HydrophobicContact CD1-CB 4.24Å; Y573-K628 HydrophobicContact CD2-CG 4.49Å; Y573-K628 HydrophobicContact CE1-CB 3.84Å; Y573-K628 HydrophobicContact CE2-CB 4.11Å; Y573-K628 HydrophobicContact CE2-CD 4.29Å; Y573-K628 HydrophobicContact CE2-CG 3.99Å; K628-V630 PolarHBondContact O-N 3.47Å
629	K	81.7	Confident	72.5	Confident	79 Å²	79	87.9 Å²	87.9	34%	0.343	46%	0.456	S	S	.	.			trans	-84.1	112.2	-177.1	-174.3	174.9	173.3	-174.7	0	109.9	L572 L594 R627 D631	L572-K629 HydrophobicContact CD2-CD 4.09Å; L572-K629 HydrophobicContact CG-CB 4.47Å; L572-K629 WeakPolarHBondContact O-CB 3.46Å; L572-K629 PolarHBondContact O-N 2.99Å; L594-K629 HydrophobicContact CD2-CD 3.81Å; R627-K629 PolarHBondContact O-N 3.23Å; K629-D631 WeakPolarHBondContact CE-OD1 3.19Å
630	V	69.9	Low	70.3	Confident	115 Å²	115	95.3 Å²	95.3	70%	0.697	49%	0.488	S	S	*	.			trans	-108.6	117.1	176.8	-175.5	0	0	0	0	108.6	K628 G632	K628-V630 PolarHBondContact O-N 3.47Å; V630-G632 PolarHBondContact O-N 3Å
631	D	53.6	Low	67.9	Low	146 Å²	146	96.9 Å²	96.9	78%	0.781	51%	0.511	S	S	*	.			trans	-77.5	73.7	177.5	-70.7	-36	0	0	0	110.6	K629	K629-D631 WeakPolarHBondContact CE-OD1 3.19Å
632	G	46.3	Very low	65.4	Low	51 Å²	51	102.2 Å²	102.2	53%	0.526	54%	0.543	S	S	.	.	S	Bend	trans	-151.8	168.7	-179.2	0	0	0	0	0	112.3	V630 I634	V630-G632 PolarHBondContact O-N 3Å; G632-I634 PolarHBondContact O-N 3.38Å
633	K	50	Low	62.9	Low	217 Å²	217	109.1 Å²	109.1	94%	0.943	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-65.3	129.3	179.2	-74.1	178.9	177.8	174.4	0	110.7	D635	K633-D635 PolarHBondContact O-N 2.95Å
634	I	47.1	Very low	60.2	Low	150 Å²	150	113.1 Å²	113.1	77%	0.769	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-61.5	130.6	173.2	-58.8	168	0	0	0	109.5	G632	G632-I634 PolarHBondContact O-N 3.38Å
635	D	46.2	Very low	57.5	Low	93 Å²	93	114.8 Å²	114.8	50%	0.497	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-76.9	126.1	173	-167.9	-31.6	0	0	0	110	K633 F637	K633-D635 PolarHBondContact O-N 2.95Å; D635-F637 PolarHBondContact O-N 3.43Å; D635-F637 VanDerWaalsContact O-N 3.13Å; D635-F637 PolarHBondContact OD1-N 2.89Å
636	P	56	Low	54.5	Low	115 Å²	115	116.3 Å²	116.3	75%	0.747	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-15.7	173.8	-24.2	35.2	0	0	0	115.4
637	F	47.2	Very low	51.7	Low	191 Å²	191	122.9 Å²	122.9	84%	0.838	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	-12.2	-174.8	-70.5	-85.5	0	0	0	115.3	D635	D635-F637 PolarHBondContact O-N 3.43Å; D635-F637 VanDerWaalsContact O-N 3.13Å; D635-F637 PolarHBondContact OD1-N 2.89Å
638	D	56.6	Low	48.7	Very low	53 Å²	53	123 Å²	123	28%	0.283	66%	0.66	S	S	.	*			trans	-126.3	83.3	165.7	-173.3	5.8	0	0	0	111.4	F640 G641 V642	D638-F640 PolarHBondContact O-N 3.3Å; D638-F640 PolarHBondContact OD1-N 2.65Å; D638-G641 PolarHBondContact OD1-N 3.15Å; D638-G641 WeakPolarHBondContact OD2-CA 3.47Å; D638-G641 PolarHBondContact OD2-N 2.93Å; D638-V642 PolarHBondContact OD2-N 3.4Å
639	P	46.8	Very low	45.7	Very low	91 Å²	91	123.7 Å²	123.7	59%	0.591	68%	0.675	S	S	*	*	S	Bend	trans	-74.4	3.8	175.6	30.9	-34.8	0	0	0	114.1
640	F	47.3	Very low	43.3	Very low	156 Å²	156	126.2 Å²	126.2	68%	0.684	70%	0.697	S	S	*	*	S	Bend	trans	-122.2	-23.7	-175.1	-59.6	-64.7	0	0	0	114.4	D638 V642	D638-F640 PolarHBondContact O-N 3.3Å; D638-F640 PolarHBondContact OD1-N 2.65Å; F640-V642 HydrophobicContact CB-CG2 3.62Å; F640-V642 WeakPolarHBondContact O-CG2 3.4Å
641	G	41.2	Very low	41.5	Very low	58 Å²	58	125.4 Å²	125.4	60%	0.598	70%	0.696	S	S	*	*			trans	75.8	25	169	0	0	0	0	0	115.7	D638 H643	D638-G641 PolarHBondContact OD1-N 3.15Å; D638-G641 WeakPolarHBondContact OD2-CA 3.47Å; D638-G641 PolarHBondContact OD2-N 2.93Å; G641-H643 PolarHBondContact O-N 3.2Å; G641-H643 VanDerWaalsContact O-N 3.16Å
642	V	42.2	Very low	40.3	Very low	113 Å²	113	124.4 Å²	124.4	69%	0.685	70%	0.701	S	S	*	*			trans	-93.4	42.1	-158.7	-154.8	0	0	0	0	113.8	D638 F640	D638-V642 PolarHBondContact OD2-N 3.4Å; F640-V642 HydrophobicContact CB-CG2 3.62Å; F640-V642 WeakPolarHBondContact O-CG2 3.4Å
643	H	38.8	Very low	40	Very low	162 Å²	162	128.2 Å²	128.2	75%	0.75	71%	0.708	S	S	*	*			trans	-132.4	121.7	-172.1	-71.8	-24.9	0	0	0	116	G641	G641-H643 PolarHBondContact O-N 3.2Å; G641-H643 VanDerWaalsContact O-N 3.16Å
644	K	36.1	Very low	39	Very low	173 Å²	173	126.2 Å²	126.2	75%	0.752	70%	0.704	S	S	*	*			trans	72.4	99.3	163.9	-60	-177.6	179.2	179.9	0	118.9
645	I	35.5	Very low	38.2	Very low	140 Å²	140	126.2 Å²	126.2	72%	0.718	70%	0.703	S	S	*	*				-121.7	113.5	122.9	-58.9	-179.5	0	0	0	107.8
646	T	28.5	Very low	37.5	Very low	115 Å²	115	127.6 Å²	127.6	71%	0.706	72%	0.715	S	S	*	*			trans	-133.5	112	172	49.7	0	0	0	0	108.8
647	N	34.1	Very low	36.5	Very low	149 Å²	149	128.4 Å²	128.4	80%	0.797	72%	0.718	S	S	*	*			trans	-144.1	116.4	167.5	-96	-35	0	0	0	109.6
648	T	28.7	Very low	35.8	Very low	125 Å²	125	124.8 Å²	124.8	77%	0.767	71%	0.712	S	S	*	*			trans	17.7	124.8	140	-15.2	0	0	0	0	116.2
649	C	26	Very low	34.8	Very low	105 Å²	105	128.7 Å²	128.7	71%	0.709	74%	0.737	S	S	*	*				-160.3	-179.2	56.1	-67.2	0	0	0	0	114.3
650	V	30.7	Very low	34.3	Very low	132 Å²	132	130.4 Å²	130.4	80%	0.8	74%	0.74	S	S	*	*			trans	82.7	133.9	159.6	-46.4	0	0	0	0	121.2
651	S	32.4	Very low	33.7	Very low	98 Å²	98	128.4 Å²	128.4	69%	0.685	74%	0.743	S	S	*	*			trans	61.8	130.4	156.3	-55.8	0	0	0	0	118.2
652	S	29.2	Very low	33.3	Very low	125 Å²	125	131.6 Å²	131.6	87%	0.874	75%	0.751	S	S	*	*			cis	54.7	60.7	9.6	-74.5	0	0	0	0	115.8
653	I	39.1	Very low	33.1	Very low	131 Å²	131	132.7 Å²	132.7	67%	0.672	76%	0.758	S	S	*	*			trans	-156.7	130.4	142	-98.9	148.8	0	0	0	107	M655	I653-M655 HydrophobicContact CG2-CE 4.32Å; I653-M655 HydrophobicContact CG2-CG 4.17Å
654	M	28.7	Very low	33	Very low	175 Å²	175	131.9 Å²	131.9	86%	0.862	76%	0.758	S	S	*	*			trans	-74.7	126	168.4	-70.3	176.3	172.2	0	0	109
655	M	30.9	Very low	33	Very low	150 Å²	150	130.8 Å²	130.8	74%	0.739	76%	0.76	S	S	*	*			trans	-109.2	108.5	166.4	-81.6	-68.2	-175.2	0	0	109.1	I653 T657	I653-M655 HydrophobicContact CG2-CE 4.32Å; I653-M655 HydrophobicContact CG2-CG 4.17Å; M655-T657 PolarHBondContact O-N 3.04Å
656	T	31.4	Very low	33	Very low	123 Å²	123	130.2 Å²	130.2	76%	0.755	76%	0.763	S	S	*	*			trans	-75.9	106.6	177.7	48.2	0	0	0	0	110.8	T658	T656-T658 PolarHBondContact O-N 3Å; T656-T658 VanDerWaalsContact O-N 3.15Å
657	T	35.3	Very low	33.2	Very low	132 Å²	132	130.2 Å²	130.2	81%	0.81	77%	0.765	S	S	*	*			trans	-80.4	87.3	171.4	38.3	0	0	0	0	110.8	M655 T659	M655-T657 PolarHBondContact O-N 3.04Å; T657-T659 PolarHBondContact O-N 3.13Å
658	T	32	Very low	33.2	Very low	115 Å²	115	130.4 Å²	130.4	71%	0.706	77%	0.766	S	S	*	*			trans	-67.7	101.1	176.2	-54.6	0	0	0	0	111.4	T656 I660	T656-T658 PolarHBondContact O-N 3Å; T656-T658 VanDerWaalsContact O-N 3.15Å; T658-I660 HydrophobicContact CG2-CG1 4.01Å; T658-I660 PolarHBondContact O-N 3.46Å
659	T	37	Very low	33.3	Very low	134 Å²	134	129.4 Å²	129.4	82%	0.822	76%	0.76	S	S	*	*			trans	-71.6	105.5	170.2	-46	0	0	0	0	109.8	T657 P661	T657-T659 PolarHBondContact O-N 3.13Å; T659-P661 VanDerWaalsContact O-CD 3.29Å; T659-P661 WeakPolarHBondContact O-CD 3.31Å
660	I	34.9	Very low	33.6	Very low	127 Å²	127	133.6 Å²	133.6	65%	0.651	77%	0.767	S	S	*	*			trans	-90.8	111.3	178.1	-58	176.4	0	0	0	109.9	T658 T662	T658-I660 HydrophobicContact CG2-CG1 4.01Å; T658-I660 PolarHBondContact O-N 3.46Å; I660-T662 PolarHBondContact O-N 3.37Å
661	P	35.2	Very low	33.7	Very low	115 Å²	115	132.6 Å²	132.6	75%	0.747	77%	0.765	S	S	*	*			trans	-71.6	113.2	168.6	29.7	-32.3	0	0	0	109.2	T659 T663	T659-P661 VanDerWaalsContact O-CD 3.29Å; T659-P661 WeakPolarHBondContact O-CD 3.31Å; P661-T663 PolarHBondContact O-N 2.85Å
662	T	33.6	Very low	33.6	Very low	125 Å²	125	132.4 Å²	132.4	77%	0.767	77%	0.77	S	S	*	*			trans	-91.5	98.9	-177.4	-58	0	0	0	0	110.8	I660	I660-T662 PolarHBondContact O-N 3.37Å
663	T	36.5	Very low	33.8	Very low	136 Å²	136	134 Å²	134	83%	0.834	77%	0.767	S	S	*	*			trans	-113.1	141.2	167.7	-53.7	0	0	0	0	109.9	P661	P661-T663 PolarHBondContact O-N 2.85Å
664	I	37.2	Very low	33.3	Very low	145 Å²	145	135 Å²	135	74%	0.744	77%	0.774	S	S	*	*			trans	-86.5	126.4	-163.5	-62.6	157.1	0	0	0	111.3
665	N	36	Very low	33.6	Very low	150 Å²	150	132.9 Å²	132.9	80%	0.802	77%	0.771	S	S	*	*				-170.1	153.4	126.2	-98.4	-40.2	0	0	0	115.1
666	T	34.9	Very low	33.6	Very low	128 Å²	128	133 Å²	133	79%	0.785	77%	0.774	S	S	*	*			trans	-37.8	158.3	-172.1	44	0	0	0	0	121.4
667	P	33.3	Very low	33.7	Very low	114 Å²	114	135 Å²	135	74%	0.74	78%	0.781	S	S	*	*			trans	-102.8	163.4	-168.9	40.4	-36.5	0	0	0	116
668	N	34.6	Very low	33.5	Very low	153 Å²	153	133.7 Å²	133.7	82%	0.818	78%	0.776	S	S	*	*			trans	-163.1	115.4	145.2	-116.1	-40.1	0	0	0	115
669	T	31.4	Very low	33.5	Very low	105 Å²	105	135.4 Å²	135.4	64%	0.644	78%	0.78	S	S	*	*			trans	43.9	145.6	134.4	-41.3	0	0	0	0	123.1
670	F	31.2	Very low	33.5	Very low	193 Å²	193	134.5 Å²	134.5	85%	0.846	78%	0.775	S	S	*	*			trans	87.1	139.3	173.8	-64.7	-86	0	0	0	116.9
671	S	33.8	Very low	33.3	Very low	110 Å²	110	136.9 Å²	136.9	77%	0.769	78%	0.783	S	S	*	*			cis	-169.1	154.8	-28.4	-108.8	0	0	0	0	108.7
672	A	29.1	Very low	33.4	Very low	94 Å²	94	137.6 Å²	137.6	78%	0.777	79%	0.788	S	S	*	*			trans	-84.9	149.4	-173.4	0	0	0	0	0	114.7
673	I	33.4	Very low	33.3	Very low	160 Å²	160	135.1 Å²	135.1	82%	0.821	78%	0.781	S	S	*	*			trans	-131.9	116.8	154.9	-60.7	-178.4	0	0	0	108.4
674	N	29.7	Very low	33.2	Very low	151 Å²	151	135.2 Å²	135.2	81%	0.807	78%	0.776	S	S	*	*			trans	-100.3	137.1	165	-89.2	-16.4	0	0	0	109
675	T	34.6	Very low	33	Very low	130 Å²	130	134.1 Å²	134.1	80%	0.798	77%	0.771	S	S	*	*			trans	-139.9	105.5	159.2	50.4	0	0	0	0	110.2
676	N	31	Very low	32.9	Very low	153 Å²	153	134.7 Å²	134.7	82%	0.818	77%	0.774	S	S	*	*			trans	-71	155.6	165.8	-63.9	-32.4	0	0	0	109.8
677	N	33.6	Very low	32.6	Very low	166 Å²	166	136 Å²	136	89%	0.888	78%	0.776	S	S	*	*			trans	-145.5	140.2	154	-128.8	-11.9	0	0	0	110.4
678	S	29.5	Very low	32.5	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	78%	0.778	S	S	*	*			trans	-151.1	122.2	-171.6	177.9	0	0	0	0	110.9
679	L	32.9	Very low	32.2	Very low	151 Å²	151	132.9 Å²	132.9	79%	0.791	77%	0.767	S	S	*	*			trans	-155.8	101.5	166	-89.1	115	0	0	0	106.5
680	T	36.6	Very low	32.2	Very low	115 Å²	115	132.5 Å²	132.5	71%	0.706	77%	0.769	S	S	*	*				76.5	122.7	85.2	58.7	0	0	0	0	114.7
681	E	30.4	Very low	31.9	Very low	177 Å²	177	131.5 Å²	131.5	83%	0.827	77%	0.767	S	S	*	*			trans	-67	173.7	171.5	-55	-177	135.5	0	0	112.7
682	P	37.3	Very low	31.8	Very low	130 Å²	130	132.2 Å²	132.2	84%	0.844	77%	0.767	S	S	*	*				-134.8	159.4	98.2	38.9	-30.7	0	0	0	114.6
683	A	31.2	Very low	31.6	Very low	74 Å²	74	132.9 Å²	132.9	61%	0.612	76%	0.762	S	S	*	*			trans	-86.4	158.1	176.7	0	0	0	0	0	113.3
684	N	34.5	Very low	31.3	Very low	138 Å²	138	130.8 Å²	130.8	74%	0.738	76%	0.758	S	S	*	*				-169.3	145.5	122.6	-108.4	40.1	0	0	0	112.6
685	D	34.5	Very low	31.1	Very low	121 Å²	121	130.1 Å²	130.1	65%	0.647	76%	0.76	S	S	*	*			trans	35.3	103.3	146.3	-45	-30.3	0	0	0	120.1
686	N	32.6	Very low	30.7	Very low	162 Å²	162	129.7 Å²	129.7	87%	0.866	76%	0.757	S	S	*	*				-166.2	139.4	84.2	-101.8	-77.9	0	0	0	113
687	L	28.9	Very low	30.5	Very low	155 Å²	155	131.2 Å²	131.2	81%	0.812	76%	0.756	S	S	*	*			trans	-104	112.6	-178	179.5	77.2	0	0	0	110.5	A689	L687-A689 HydrophobicContact CD1-CB 4.39Å
688	V	31.3	Very low	30.2	Very low	130 Å²	130	131.4 Å²	131.4	79%	0.788	76%	0.757	S	S	*	*			trans	-128.4	87.5	159.7	-177.1	0	0	0	0	108.3	S690	V688-S690 PolarHBondContact O-N 2.88Å
689	A	28.8	Very low	30.1	Very low	72 Å²	72	132.9 Å²	132.9	60%	0.595	76%	0.757	S	S	*	*			trans	-85.1	103.5	172.4	0	0	0	0	0	109.4	L687 E691	L687-A689 HydrophobicContact CD1-CB 4.39Å; A689-E691 PolarHBondContact O-N 2.82Å
690	S	30.4	Very low	29.9	Very low	97 Å²	97	132.2 Å²	132.2	68%	0.678	75%	0.754	S	S	*	*			trans	-81.6	60.8	174.3	-61.4	0	0	0	0	111.6	V688 T692	V688-S690 PolarHBondContact O-N 2.88Å; S690-T692 PolarHBondContact O-N 2.88Å
691	E	26.5	Very low	29.6	Very low	173 Å²	173	133.7 Å²	133.7	81%	0.808	76%	0.756	S	S	*	*			trans	-71.2	75.5	166.4	-75.5	-168.4	125.7	0	0	110.1	A689 T693	A689-E691 PolarHBondContact O-N 2.82Å; E691-T693 VanDerWaalsContact C-N 3.34Å; E691-T693 PolarHBondContact O-N 3.14Å; E691-T693 VanDerWaalsContact O-N 3.09Å
692	T	30.3	Very low	29.5	Very low	124 Å²	124	131 Å²	131	76%	0.761	75%	0.752	S	S	*	*			trans	-82	80.2	171.4	52.6	0	0	0	0	110.4	S690 P694	S690-T692 PolarHBondContact O-N 2.88Å; T692-P694 VanDerWaalsContact O-CD 3.3Å; T692-P694 WeakPolarHBondContact O-CD 3.37Å
693	T	25.2	Very low	29.4	Very low	109 Å²	109	131 Å²	131	67%	0.669	74%	0.739	S	S	*	*			trans	-64	117.8	167.3	51.1	0	0	0	0	110.3	E691 T695	E691-T693 VanDerWaalsContact C-N 3.34Å; E691-T693 PolarHBondContact O-N 3.14Å; E691-T693 VanDerWaalsContact O-N 3.09Å; T693-T695 PolarHBondContact O-N 3.37Å
694	P	28.2	Very low	29.5	Very low	116 Å²	116	132.9 Å²	132.9	75%	0.753	75%	0.745	S	S	*	*			trans	-81.4	85.1	177	32.9	-32.5	0	0	0	110.2	T692 T696	T692-P694 VanDerWaalsContact O-CD 3.3Å; T692-P694 WeakPolarHBondContact O-CD 3.37Å; P694-T696 PolarHBondContact O-N 2.91Å
695	T	24.8	Very low	29.4	Very low	136 Å²	136	134 Å²	134	83%	0.834	75%	0.751	S	S	*	*			trans	-73.4	70.7	172.7	-50.3	0	0	0	0	110.6	T693	T693-T695 PolarHBondContact O-N 3.37Å
696	T	26.7	Very low	29.5	Very low	122 Å²	122	135.3 Å²	135.3	75%	0.748	76%	0.758	S	S	*	*			trans	-120.2	125	-179.3	-47	0	0	0	0	110.3	P694	P694-T696 PolarHBondContact O-N 2.91Å
697	K	26.9	Very low	30.2	Very low	184 Å²	184	132.5 Å²	132.5	80%	0.8	74%	0.743	S	S	*	*			trans	-55.9	137	-171.8	-58.8	167.9	-177.4	177	0	112.2	N699	K697-N699 PolarHBondContact O-N 3.35Å
698	L	27.3	Very low	31.7	Very low	170 Å²	170	130.5 Å²	130.5	89%	0.89	73%	0.727	S	S	*	*			trans	-57.3	122.5	156.7	-95.5	154.4	0	0	0	108.5
699	N	27.8	Very low	33.4	Very low	135 Å²	135	130.7 Å²	130.7	72%	0.722	72%	0.715	S	S	*	*			trans	-89.8	113.4	169.4	-75.2	-28.2	0	0	0	108.2	K697 I701	K697-N699 PolarHBondContact O-N 3.35Å; N699-I701 PolarHBondContact O-N 2.88Å
700	D	27.9	Very low	35.2	Very low	136 Å²	136	127.6 Å²	127.6	73%	0.727	69%	0.69	S	S	*	*			trans	-66.5	102.7	167.3	-77	-55.6	0	0	0	109.7	T702	D700-T702 VanDerWaalsContact C-N 3.33Å; D700-T702 PolarHBondContact O-N 3.43Å; D700-T702 VanDerWaalsContact O-N 3.16Å
701	I	29.3	Very low	37.3	Very low	147 Å²	147	127.8 Å²	127.8	75%	0.754	68%	0.68	S	S	*	*			trans	-84.3	82.6	169.2	-56	-178.1	0	0	0	108	N699 F703	N699-I701 PolarHBondContact O-N 2.88Å; I701-F703 PolarHBondContact O-N 2.92Å
702	T	29.2	Very low	39.8	Very low	121 Å²	121	119.6 Å²	119.6	74%	0.742	64%	0.642	S	S	*	*			trans	-64.7	119.4	172	-58.5	0	0	0	0	110.2	D700	D700-T702 VanDerWaalsContact C-N 3.33Å; D700-T702 PolarHBondContact O-N 3.43Å; D700-T702 VanDerWaalsContact O-N 3.16Å
703	F	34.8	Very low	41.7	Very low	130 Å²	130	117.7 Å²	117.7	57%	0.57	63%	0.625	S	S	*	*			trans	-61.3	127.8	173.3	-74.6	-81.8	0	0	0	111	I701 N705	I701-F703 PolarHBondContact O-N 2.92Å; F703-N705 PolarHBondContact O-N 3.01Å
704	P	33.3	Very low	43.9	Very low	113 Å²	113	119 Å²	119	73%	0.734	62%	0.623	S	S	*	*			trans	-80.2	108.2	-176.9	30.2	-33.8	0	0	0	112.3	N706	P704-N706 PolarHBondContact O-N 2.85Å
705	N	31.9	Very low	46.4	Very low	162 Å²	162	117.5 Å²	117.5	87%	0.866	61%	0.609	S	S	*	*	S	Bend	trans	42.5	60.4	158.8	-68.3	-8.1	0	0	0	117	F703	F703-N705 PolarHBondContact O-N 3.01Å
706	N	37.8	Very low	48.9	Very low	148 Å²	148	111.8 Å²	111.8	79%	0.791	57%	0.572	S	S	*	*			trans	-151.1	108.7	156.4	-96.8	-41.3	0	0	0	108.9	P704 F708	P704-N706 PolarHBondContact O-N 2.85Å; N706-F708 PolarHBondContact O-N 2.91Å; N706-F708 VanDerWaalsContact O-N 3.13Å
707	D	47.6	Very low	51.3	Low	103 Å²	103	108.4 Å²	108.4	55%	0.551	55%	0.549	S	S	*	.			trans	-68.6	107.9	175.6	-71.6	-53.3	0	0	0	110	Y709 K744	D707-Y709 HydrophobicContact CB-CD2 4.13Å; D707-Y709 HydrophobicContact CB-CE2 3.41Å; D707-Y709 VanDerWaalsContact CB-CE2 3.41Å; D707-Y709 WeakPolarHBondContact O-CD2 3.36Å; D707-Y709 PolarHBondContact O-N 3.5Å; D707-K744 VanDerWaalsContact OD1-CE 3.22Å; D707-K744 WeakPolarHBondContact OD1-CE 3.33Å; D707-K744 IonicContact OD1-NZ 2.55Å
708	F	59.7	Low	53.4	Low	112 Å²	112	101.3 Å²	101.3	49%	0.491	52%	0.521	S	S	.	.			trans	-90.2	104.3	-179.3	-148.5	-83.2	0	0	0	110.5	N706 I745	N706-F708 PolarHBondContact O-N 2.91Å; N706-F708 VanDerWaalsContact O-N 3.13Å; F708-I745 HydrophobicContact CD1-CD1 4Å; F708-I745 PolarHBondContact O-N 3.28Å
709	Y	67.1	Low	55.3	Low	135 Å²	135	98 Å²	98	53%	0.529	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.5	177.3	-65.2	-86.3	0	0	0	111.1	D707 V743 K744	D707-Y709 HydrophobicContact CB-CD2 4.13Å; D707-Y709 HydrophobicContact CB-CE2 3.41Å; D707-Y709 VanDerWaalsContact CB-CE2 3.41Å; D707-Y709 WeakPolarHBondContact O-CD2 3.36Å; D707-Y709 PolarHBondContact O-N 3.5Å; Y709-V743 CarbonylContact C-O 3.58Å; Y709-V743 WeakPolarHBondContact CA-O 3.37Å; Y709-K744 HydrophobicContact CD1-CB 4.18Å; Y709-K744 HydrophobicContact CE1-CB 4.03Å; Y709-K744 HydrophobicContact CE1-CD 4.31Å; Y709-K744 HydrophobicContact CE1-CG 4.34Å
710	G	66.1	Low	56.6	Low	7 Å²	7	97.3 Å²	97.3	7%	0.072	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.5	173.8	0	0	0	0	0	112.6	V743	G710-V743 PolarHBondContact N-O 2.79Å; G710-V743 PolarHBondContact O-N 3.3Å
711	E	74.5	Confident	57.9	Low	100 Å²	100	92.6 Å²	92.6	47%	0.467	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.1	169.6	-171.7	-174.9	144.3	0	0	109	Q713 K778	E711-Q713 PolarHBondContact O-N 2.7Å; E711-Q713 PolarHBondContact OE1-NE2 2.93Å; E711-K778 PolarHBondContact O-N 2.83Å
712	V	78.8	Confident	59.1	Low	1 Å²	1	92.8 Å²	92.8	1%	0.006	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	122.1	-176.7	-179.3	0	0	0	0	109.8	Q714 L737 T738 D741 V743 L777	V712-Q714 WeakPolarHBondContact CG1-O 3.36Å; V712-L737 HydrophobicContact CG1-CB 4.08Å; V712-L737 HydrophobicContact CG2-CB 4.27Å; V712-L737 HydrophobicContact CG2-CD1 4.15Å; V712-T738 WeakPolarHBondContact CB-O 3.46Å; V712-T738 WeakPolarHBondContact CG1-O 3.26Å; V712-D741 WeakPolarHBondContact CG2-O 3.34Å; V712-V743 HydrophobicContact CG2-CG2 3.62Å; V712-L777 HydrophobicContact CG2-CD2 3.97Å
713	Q	71.6	Confident	60.5	Low	85 Å²	85	90.7 Å²	90.7	40%	0.397	48%	0.475	S	S	.	.			trans	-93.6	-15.7	179.1	-60.8	-66	-95.5	0	0	113.4	E711 C776 K778	E711-Q713 PolarHBondContact O-N 2.7Å; E711-Q713 PolarHBondContact OE1-NE2 2.93Å; Q713-C776 PolarHBondContact N-O 3.4Å; Q713-K778 HydrophobicContact CG-CB 3.66Å; Q713-K778 HydrophobicContact CG-CD 4.23Å
714	Q	70.4	Confident	61.8	Low	135 Å²	135	89.8 Å²	89.8	63%	0.631	48%	0.481	S	S	*	.	S	Bend	trans	-151.3	136.1	-175.7	-171.1	175.9	9.4	0	0	110.2	V712 W716	V712-Q714 WeakPolarHBondContact CG1-O 3.36Å; Q714-W716 PolarHBondContact O-N 3Å
715	N	80.3	Confident	63.4	Low	86 Å²	86	87.6 Å²	87.6	46%	0.46	46%	0.463	S	S	.	.			trans	-57.1	134.7	172	-68.4	-1.5	0	0	0	110	L737 T738 V739	N715-L737 CarbonylContact C-O 3.35Å; N715-L737 WeakPolarHBondContact CA-O 3.42Å; N715-T738 VanDerWaalsContact OD1-CA 3.32Å; N715-T738 WeakPolarHBondContact OD1-CA 3.1Å; N715-V739 WeakPolarHBondContact OD1-CG2 3.3Å; N715-V739 PolarHBondContact OD1-N 3.22Å
716	W	77.8	Confident	65	Low	15 Å²	15	81.1 Å²	81.1	6%	0.057	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-133.8	140.1	178.7	-177.5	74.3	0	0	0	111.9	Q714 F734 L735 T736 L737 W755 W771 F772 P773	Q714-W716 PolarHBondContact O-N 3Å; W716-F734 HydrophobicContact CH2-CB 3.76Å; W716-F734 AromaticContact CH2-CD1 3.77Å; W716-F734 HydrophobicContact CH2-CD1 3.77Å; W716-F734 AromaticContact CH2-CG 3.93Å; W716-F734 HydrophobicContact CH2-CG 3.93Å; W716-F734 HydrophobicContact CZ3-CB 4.24Å; W716-L735 WeakPolarHBondContact CZ3-O 3.36Å; W716-T736 CarbonylContact O-C 3.58Å; W716-T736 WeakPolarHBondContact O-CA 3.48Å; W716-T736 WeakPolarHBondContact O-CG2 3.33Å; W716-L737 HydrophobicContact CB-CB 4.32Å; W716-L737 HydrophobicContact CE3-CG 4.45Å; W716-L737 PolarHBondContact N-O 2.87Å; W716-L737 PolarHBondContact O-N 2.93Å; W716-W755 AromaticContact CH2-CZ3 3.98Å; W716-W755 HydrophobicContact CH2-CZ3 3.98Å; W716-W755 HydrophobicContact CZ2-CH2 4.05Å; W716-W755 AromaticContact CZ2-CZ3 3.95Å; W716-W755 HydrophobicContact CZ2-CZ3 3.95Å; W716-W771 WeakPolarHBondContact CH2-O 3.45Å; W716-W771 VanDerWaalsContact CZ3-O 3.28Å; W716-W771 WeakPolarHBondContact CZ3-O 3.26Å; W716-F772 HydrophobicContact CD2-CB 4.45Å; W716-F772 HydrophobicContact CE3-CB 3.65Å; W716-F772 HydrophobicContact CH2-CB 4.3Å; W716-F772 HydrophobicContact CZ3-CB 3.55Å; W716-P773 HydrophobicContact CD2-CG 4.33Å; W716-P773 HydrophobicContact CZ2-CG 4.04Å
717	N	77.1	Confident	66.2	Low	52 Å²	52	81.8 Å²	81.8	28%	0.278	43%	0.428	S	S	.	.			trans	-150.9	150.5	175.2	-175.8	-30.1	0	0	0	106.4	S719 M720 T736	N717-S719 PolarHBondContact O-N 3.19Å; N717-S719 VanDerWaalsContact O-N 3.14Å; N717-S719 PolarHBondContact OD1-N 3.37Å; N717-S719 VanDerWaalsContact OD1-N 3.11Å; N717-S719 PolarHBondContact OD1-OG 3.45Å; N717-M720 HydrophobicContact CB-CG 4.16Å; N717-M720 HydrophobicContact CB-SD 4.18Å; N717-M720 PolarHBondContact O-N 3.2Å; N717-T736 HydrophobicContact CB-CG2 4.27Å
718	V	71	Confident	67.1	Low	35 Å²	35	83.6 Å²	83.6	21%	0.212	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-55.8	-28.8	173.7	71.5	0	0	0	0	112	M720 S721 L725 F734	V718-M720 PolarHBondContact O-N 2.92Å; V718-S721 PolarHBondContact O-OG 3.15Å; V718-S721 VanDerWaalsContact O-OG 3.1Å; V718-L725 HydrophobicContact CG2-CD1 4.42Å; V718-L725 HydrophobicContact CG2-CD2 4.19Å; V718-F734 HydrophobicContact CB-CB 4.43Å; V718-F734 HydrophobicContact CB-CD2 4.06Å; V718-F734 HydrophobicContact CG2-CD2 3.6Å; V718-F734 HydrophobicContact CG2-CE2 3.96Å; V718-F734 HydrophobicContact CG2-CG 4.43Å
719	S	67	Low	67.5	Low	99 Å²	99	79.3 Å²	79.3	69%	0.692	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-68.8	-7.6	174.1	-52.7	0	0	0	0	115	N717	N717-S719 PolarHBondContact O-N 3.19Å; N717-S719 VanDerWaalsContact O-N 3.14Å; N717-S719 PolarHBondContact OD1-N 3.37Å; N717-S719 VanDerWaalsContact OD1-N 3.11Å; N717-S719 PolarHBondContact OD1-OG 3.45Å
720	M	56.2	Low	67.8	Low	121 Å²	121	78.2 Å²	78.2	60%	0.596	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-113.5	7.7	-174.6	-60	179.1	74.9	0	0	113.4	N717 V718	N717-M720 HydrophobicContact CB-CG 4.16Å; N717-M720 HydrophobicContact CB-SD 4.18Å; N717-M720 PolarHBondContact O-N 3.2Å; V718-M720 PolarHBondContact O-N 2.92Å
721	S	54.9	Low	68	Low	38 Å²	38	82.7 Å²	82.7	27%	0.266	45%	0.448	S	S	.	.			trans	-91.1	113.4	-170.7	60.4	0	0	0	0	114.3	V718	V718-S721 PolarHBondContact O-OG 3.15Å; V718-S721 VanDerWaalsContact O-OG 3.1Å
722	T	53	Low	68	Low	151 Å²	151	84 Å²	84	93%	0.926	46%	0.458	S	S	*	.			trans	-79	-4.9	154.6	-27.5	0	0	0	0	112.1
723	I	60.4	Low	68.2	Low	76 Å²	76	87.5 Å²	87.5	39%	0.39	48%	0.475	S	S	.	.	S	Bend	trans	-83.3	135.9	-178.2	-60.3	173	0	0	0	109.7	L725 W755 P773	I723-L725 PolarHBondContact O-N 3.46Å; I723-W755 HydrophobicContact CG2-CZ2 4.21Å; I723-P773 HydrophobicContact CD1-CB 4.21Å; I723-P773 HydrophobicContact CD1-CG 4.2Å
724	T	61	Low	68.8	Low	111 Å²	111	84.6 Å²	84.6	68%	0.681	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-57.9	121.6	176	-41.3	0	0	0	0	111.2
725	L	67.8	Low	69.4	Low	68 Å²	68	78.5 Å²	78.5	36%	0.356	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-70	139.8	176.5	-61	177	0	0	0	110.7	V718 I723 E727 F734 W755	V718-L725 HydrophobicContact CG2-CD1 4.42Å; V718-L725 HydrophobicContact CG2-CD2 4.19Å; I723-L725 PolarHBondContact O-N 3.46Å; L725-E727 PolarHBondContact O-N 2.95Å; L725-F734 HydrophobicContact CD2-CE2 4.01Å; L725-F734 HydrophobicContact CD2-CZ 3.93Å; L725-W755 HydrophobicContact CD2-CH2 4.33Å
726	P	65.1	Low	69.6	Low	26 Å²	26	77.9 Å²	77.9	17%	0.169	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-69.1	126.7	177.6	-21.3	35.4	0	0	0	111.6	N728 I729 W755	P726-N728 PolarHBondContact O-N 3.29Å; P726-I729 HydrophobicContact CB-CB 4.35Å; P726-I729 HydrophobicContact CB-CD1 3.97Å; P726-I729 HydrophobicContact CB-CG1 4.3Å; P726-I729 HydrophobicContact CG-CD1 4.02Å; P726-I729 PolarHBondContact O-N 3.07Å; P726-W755 HydrophobicContact CG-CD2 3.84Å; P726-W755 VanDerWaalsContact CG-CE2 3.49Å; P726-W755 HydrophobicContact CG-CG 4.06Å; P726-W755 HydrophobicContact CG-CZ2 3.94Å
727	E	62	Low	69.9	Low	161 Å²	161	77.2 Å²	77.2	75%	0.752	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-18.2	-177.5	-66.3	166.8	-170.4	0	0	113.7	R401 L725	R401-E727 IonicContact NH1-OE1 2.75Å; R401-E727 PolarHBondContact NH1-OE1 3.2Å; R401-E727 VanDerWaalsContact NH1-OE1 3.16Å; L725-E727 PolarHBondContact O-N 2.95Å
728	N	68	Low	70.1	Confident	141 Å²	141	77.3 Å²	77.3	75%	0.754	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	4.7	-179.4	-64.4	-23.1	0	0	0	114.8	P726	P726-N728 PolarHBondContact O-N 3.29Å
729	I	68	Low	70.4	Confident	22 Å²	22	79.2 Å²	79.2	11%	0.113	44%	0.444	C	S	.	.	S	Bend	trans	-123	120.6	-177.6	-66	167.3	0	0	0	109.8	P726 Q733 F734 W771	P726-I729 HydrophobicContact CB-CB 4.35Å; P726-I729 HydrophobicContact CB-CD1 3.97Å; P726-I729 HydrophobicContact CB-CG1 4.3Å; P726-I729 HydrophobicContact CG-CD1 4.02Å; P726-I729 PolarHBondContact O-N 3.07Å; I729-Q733 HydrophobicContact CG2-CB 4.08Å; I729-F734 HydrophobicContact CB-CE1 4.36Å; I729-F734 HydrophobicContact CB-CZ 4.31Å; I729-F734 HydrophobicContact CG2-CD1 4.17Å; I729-F734 HydrophobicContact CG2-CE1 3.52Å; I729-F734 HydrophobicContact CG2-CE2 4.49Å; I729-F734 HydrophobicContact CG2-CZ 3.7Å; I729-W771 HydrophobicContact CD1-CB 4.32Å; I729-W771 HydrophobicContact CD1-CD2 3.57Å; I729-W771 HydrophobicContact CD1-CE3 4.17Å; I729-W771 HydrophobicContact CD1-CG 3.63Å; I729-W771 HydrophobicContact CD1-CZ2 4.3Å; I729-W771 HydrophobicContact CG1-CD2 4.49Å; I729-W771 HydrophobicContact CG1-CG 4.33Å; I729-W771 HydrophobicContact CG2-CB 4.3Å; I729-W771 VanDerWaalsContact CG2-CD1 3.46Å; I729-W771 HydrophobicContact CG2-CG 4.02Å
730	L	73.6	Confident	70.8	Confident	113 Å²	113	80.4 Å²	80.4	59%	0.592	44%	0.442	S	S	*	.			trans	-73.9	152.4	178.5	-64.4	173.1	0	0	0	111.5	D732 Q733	L730-D732 WeakPolarHBondContact CB-OD1 3.31Å; L730-D732 PolarHBondContact O-N 2.9Å; L730-Q733 HydrophobicContact CB-CG 4.44Å; L730-Q733 WeakPolarHBondContact O-CB 3.49Å; L730-Q733 PolarHBondContact O-N 3.11Å
731	T	69	Low	71.9	Confident	101 Å²	101	76.2 Å²	76.2	62%	0.62	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.2	-172.8	45.5	0	0	0	0	115.2	F734	T731-F734 HydrophobicContact CG2-CE2 4.15Å
732	D	76	Confident	73	Confident	127 Å²	127	81.4 Å²	81.4	68%	0.679	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-12.7	171.7	62.5	-22.7	0	0	0	113.3	L730	L730-D732 WeakPolarHBondContact CB-OD1 3.31Å; L730-D732 PolarHBondContact O-N 2.9Å
733	Q	81.2	Confident	74.4	Confident	74 Å²	74	74.2 Å²	74.2	35%	0.346	40%	0.398	S	S	.	.	S	Bend	trans	-93.6	10.7	179.1	-59.7	177.9	38.7	0	0	113.6	I729 L730 G770 W771	I729-Q733 HydrophobicContact CG2-CB 4.08Å; L730-Q733 HydrophobicContact CB-CG 4.44Å; L730-Q733 WeakPolarHBondContact O-CB 3.49Å; L730-Q733 PolarHBondContact O-N 3.11Å; Q733-G770 CarbonylContact O-C 3.53Å; Q733-G770 WeakPolarHBondContact O-CA 3.33Å; Q733-W771 PolarHBondContact O-N 2.84Å
734	F	84.6	Confident	75.6	Confident	24 Å²	24	73.3 Å²	73.3	11%	0.105	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-94.5	138.7	-179.6	-69.6	-51.6	0	0	0	112.6	W716 V718 L725 I729 T731 W755 W771	W716-F734 HydrophobicContact CH2-CB 3.76Å; W716-F734 AromaticContact CH2-CD1 3.77Å; W716-F734 HydrophobicContact CH2-CD1 3.77Å; W716-F734 AromaticContact CH2-CG 3.93Å; W716-F734 HydrophobicContact CH2-CG 3.93Å; W716-F734 HydrophobicContact CZ3-CB 4.24Å; V718-F734 HydrophobicContact CB-CB 4.43Å; V718-F734 HydrophobicContact CB-CD2 4.06Å; V718-F734 HydrophobicContact CG2-CD2 3.6Å; V718-F734 HydrophobicContact CG2-CE2 3.96Å; V718-F734 HydrophobicContact CG2-CG 4.43Å; L725-F734 HydrophobicContact CD2-CE2 4.01Å; L725-F734 HydrophobicContact CD2-CZ 3.93Å; I729-F734 HydrophobicContact CB-CE1 4.36Å; I729-F734 HydrophobicContact CB-CZ 4.31Å; I729-F734 HydrophobicContact CG2-CD1 4.17Å; I729-F734 HydrophobicContact CG2-CE1 3.52Å; I729-F734 HydrophobicContact CG2-CE2 4.49Å; I729-F734 HydrophobicContact CG2-CZ 3.7Å; T731-F734 HydrophobicContact CG2-CE2 4.15Å; F734-W755 HydrophobicContact CD1-CH2 4.45Å; F734-W755 AromaticContact CD1-CZ3 3.8Å; F734-W755 HydrophobicContact CD1-CZ3 3.8Å; F734-W755 HydrophobicContact CE1-CE3 4.18Å; F734-W755 AromaticContact CE1-CH2 3.86Å; F734-W755 HydrophobicContact CE1-CH2 3.86Å; F734-W755 AromaticContact CE1-CZ3 3.46Å; F734-W755 HydrophobicContact CE1-CZ3 3.46Å; F734-W755 VanDerWaalsContact CE1-CZ3 3.46Å; F734-W755 HydrophobicContact CZ-CH2 4.45Å; F734-W755 HydrophobicContact CZ-CZ3 4.45Å; F734-W771 WeakPolarHBondContact CA-O 3.39Å; F734-W771 HydrophobicContact CD1-CB 3.92Å; F734-W771 HydrophobicContact CE1-CB 4.18Å
735	L	84.4	Confident	76.7	Confident	7 Å²	7	69.7 Å²	69.7	4%	0.037	37%	0.367	C	S	.	.			trans	-105.3	101.1	-174	-171.8	61.3	0	0	0	112.5	W716 L737 I760 N768 W771 F772	W716-L735 WeakPolarHBondContact CZ3-O 3.36Å; L735-L737 HydrophobicContact CD2-CD2 4.27Å; L735-L737 HydrophobicContact CG-CD2 4.15Å; L735-L737 WeakPolarHBondContact O-CG 3.27Å; L735-L737 PolarHBondContact O-N 3.36Å; L735-I760 HydrophobicContact CD1-CD1 3.95Å; L735-I760 HydrophobicContact CD1-CG1 4.03Å; L735-I760 HydrophobicContact CD2-CG1 4.46Å; L735-I760 HydrophobicContact CD2-CG2 4.24Å; L735-I760 HydrophobicContact CG-CD1 4.26Å; L735-I760 HydrophobicContact CG-CG1 4.48Å; L735-N768 HydrophobicContact CD1-CB 3.72Å; L735-W771 PolarHBondContact N-O 2.69Å; L735-F772 HydrophobicContact CB-CD1 4.45Å; L735-F772 HydrophobicContact CD2-CD1 4.29Å
736	T	84	Confident	77.3	Confident	74 Å²	74	69 Å²	69	45%	0.454	37%	0.366	S	S	.	.			trans	-53.4	130.6	172.5	-55.8	0	0	0	0	111.1	W716 N717 I760	W716-T736 CarbonylContact O-C 3.58Å; W716-T736 WeakPolarHBondContact O-CA 3.48Å; W716-T736 WeakPolarHBondContact O-CG2 3.33Å; N717-T736 HydrophobicContact CB-CG2 4.27Å; T736-I760 WeakPolarHBondContact O-CD1 3.34Å
737	L	82.7	Confident	78	Confident	1 Å²	1	73 Å²	73	1%	0.005	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-120.2	141.6	179.2	-55.6	-177.3	0	0	0	110.8	V712 N715 W716 L735 V743 I760 F772 C776	V712-L737 HydrophobicContact CG1-CB 4.08Å; V712-L737 HydrophobicContact CG2-CB 4.27Å; V712-L737 HydrophobicContact CG2-CD1 4.15Å; N715-L737 CarbonylContact C-O 3.35Å; N715-L737 WeakPolarHBondContact CA-O 3.42Å; W716-L737 HydrophobicContact CB-CB 4.32Å; W716-L737 HydrophobicContact CE3-CG 4.45Å; W716-L737 PolarHBondContact N-O 2.87Å; W716-L737 PolarHBondContact O-N 2.93Å; L735-L737 HydrophobicContact CD2-CD2 4.27Å; L735-L737 HydrophobicContact CG-CD2 4.15Å; L735-L737 WeakPolarHBondContact O-CG 3.27Å; L735-L737 PolarHBondContact O-N 3.36Å; L737-V743 HydrophobicContact CD1-CG2 4.35Å; L737-V743 HydrophobicContact CD2-CG2 3.6Å; L737-I760 HydrophobicContact CD2-CG2 4.25Å; L737-F772 HydrophobicContact CD1-CB 3.96Å; L737-F772 HydrophobicContact CD1-CD1 4.49Å; L737-F772 HydrophobicContact CD1-CD2 3.75Å; L737-F772 HydrophobicContact CD1-CE2 4.4Å; L737-F772 HydrophobicContact CD1-CG 3.8Å; L737-F772 HydrophobicContact CG-CB 4.38Å; L737-F772 HydrophobicContact CG-CG 4.47Å; L737-C776 HydrophobicContact CD1-CB 4.16Å
738	T	81.5	Confident	78.9	Confident	53 Å²	53	68 Å²	68	33%	0.325	36%	0.357	S	S	.	.			trans	-116.9	159.8	163.8	73.8	0	0	0	0	110.8	V712 N715 D740 D741	V712-T738 WeakPolarHBondContact CB-O 3.46Å; V712-T738 WeakPolarHBondContact CG1-O 3.26Å; N715-T738 VanDerWaalsContact OD1-CA 3.32Å; N715-T738 WeakPolarHBondContact OD1-CA 3.1Å; T738-D740 PolarHBondContact O-N 2.86Å; T738-D740 VanDerWaalsContact O-N 3.13Å; T738-D741 WeakPolarHBondContact CA-OD2 3.46Å; T738-D741 WeakPolarHBondContact CB-OD2 3.49Å; T738-D741 PolarHBondContact N-OD2 3.43Å; T738-D741 WeakPolarHBondContact O-CB 3.34Å; T738-D741 PolarHBondContact O-N 2.86Å; T738-D741 VanDerWaalsContact OG1-CG 3.29Å; T738-D741 PolarHBondContact OG1-OD2 3.4Å
739	V	79	Confident	79.1	Confident	76 Å²	76	62.9 Å²	62.9	46%	0.461	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.6	177.6	171.6	0	0	0	0	113	N715	N715-V739 WeakPolarHBondContact OD1-CG2 3.3Å; N715-V739 PolarHBondContact OD1-N 3.22Å
740	D	75.4	Confident	78.9	Confident	124 Å²	124	69.2 Å²	69.2	66%	0.663	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.1	175.9	-78.4	3.5	0	0	0	113.7	T738 K763	T738-D740 PolarHBondContact O-N 2.86Å; T738-D740 VanDerWaalsContact O-N 3.13Å; D740-K763 IonicContact OD2-NZ 2.89Å
741	D	78.4	Confident	78.3	Confident	32 Å²	32	69.7 Å²	69.7	17%	0.171	37%	0.367	C	S	.	.			trans	-88.8	138.5	-171.7	-66.3	-52.8	0	0	0	113.3	V712 T738 I760	V712-D741 WeakPolarHBondContact CG2-O 3.34Å; T738-D741 WeakPolarHBondContact CA-OD2 3.46Å; T738-D741 WeakPolarHBondContact CB-OD2 3.49Å; T738-D741 PolarHBondContact N-OD2 3.43Å; T738-D741 WeakPolarHBondContact O-CB 3.34Å; T738-D741 PolarHBondContact O-N 2.86Å; T738-D741 VanDerWaalsContact OG1-CG 3.29Å; T738-D741 PolarHBondContact OG1-OD2 3.4Å; D741-I760 HydrophobicContact CB-CG2 4.35Å
742	H	77.4	Confident	77.7	Confident	148 Å²	148	69.9 Å²	69.9	69%	0.685	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	111.9	170.5	-71.4	-33.1	0	0	0	110.4
743	V	83	Confident	77.3	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.4	-177.8	-165.9	0	0	0	0	110.3	Y709 G710 V712 L737 I760 F772 L777	Y709-V743 CarbonylContact C-O 3.58Å; Y709-V743 WeakPolarHBondContact CA-O 3.37Å; G710-V743 PolarHBondContact N-O 2.79Å; G710-V743 PolarHBondContact O-N 3.3Å; V712-V743 HydrophobicContact CG2-CG2 3.62Å; L737-V743 HydrophobicContact CD1-CG2 4.35Å; L737-V743 HydrophobicContact CD2-CG2 3.6Å; V743-I760 HydrophobicContact CB-CG2 4.2Å; V743-I760 HydrophobicContact CG1-CG2 4.21Å; V743-I760 HydrophobicContact CG2-CG2 3.77Å; V743-F772 HydrophobicContact CG1-CD1 4.48Å; V743-F772 HydrophobicContact CG1-CE1 3.56Å; V743-F772 HydrophobicContact CG1-CZ 3.62Å; V743-L777 HydrophobicContact CG2-CD2 4.44Å
744	K	85	Confident	76.9	Confident	57 Å²	57	71.8 Å²	71.8	25%	0.248	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.9	169.9	176.5	178.2	157.5	-149.7	0	109.7	D707 Y709 G758 E759	D707-K744 VanDerWaalsContact OD1-CE 3.22Å; D707-K744 WeakPolarHBondContact OD1-CE 3.33Å; D707-K744 IonicContact OD1-NZ 2.55Å; Y709-K744 HydrophobicContact CD1-CB 4.18Å; Y709-K744 HydrophobicContact CE1-CB 4.03Å; Y709-K744 HydrophobicContact CE1-CD 4.31Å; Y709-K744 HydrophobicContact CE1-CG 4.34Å; K744-G758 CarbonylContact O-C 3.51Å; K744-G758 WeakPolarHBondContact O-CA 3.33Å; K744-E759 HydrophobicContact CB-CG 3.94Å; K744-E759 HydrophobicContact CD-CG 4.32Å; K744-E759 WeakPolarHBondContact CD-OE1 3.35Å; K744-E759 WeakPolarHBondContact CE-OE1 3.27Å; K744-E759 HydrophobicContact CG-CG 4.34Å; K744-E759 PolarHBondContact N-O 2.68Å; K744-E759 IonicContact NZ-OE1 3.84Å; K744-E759 PolarHBondContact NZ-OE1 3.01Å; K744-E759 PolarHBondContact O-N 2.65Å
745	I	84	Confident	76.8	Confident	34 Å²	34	71 Å²	71	17%	0.174	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	133.1	-178.2	-53.8	-178.9	0	0	0	109.5	F708 Y756 L777	F708-I745 HydrophobicContact CD1-CD1 4Å; F708-I745 PolarHBondContact O-N 3.28Å; I745-Y756 HydrophobicContact CD1-CD1 4.44Å; I745-Y756 HydrophobicContact CD1-CD2 4.1Å; I745-Y756 HydrophobicContact CD1-CE2 4.34Å; I745-Y756 HydrophobicContact CD1-CG 4.18Å; I745-Y756 HydrophobicContact CG2-CD1 4.11Å; I745-Y756 HydrophobicContact CG2-CG 4.27Å; I745-L777 HydrophobicContact CD1-CD1 3.79Å; I745-L777 HydrophobicContact CG1-CD1 4.27Å
746	T	81.3	Confident	76.9	Confident	54 Å²	54	73.4 Å²	73.4	33%	0.331	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-33	-177.2	-56.4	0	0	0	0	112.6	F757	T746-F757 PolarHBondContact N-O 2.93Å
747	K	80	Confident	77.1	Confident	110 Å²	110	71.9 Å²	71.9	48%	0.478	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	156.4	172.3	-47.1	-173.1	176.9	-167	0	111.5	F757	K747-F757 HydrophobicContact CB-CB 3.93Å; K747-F757 HydrophobicContact CG-CB 4.44Å; K747-F757 PolarHBondContact N-O 2.8Å; K747-F757 PolarHBondContact O-N 3.25Å
748	E	80.2	Confident	77.2	Confident	57 Å²	57	71.9 Å²	71.9	27%	0.266	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	149.9	169.9	-177.1	174.6	-172.7	0	0	108.7	K753 Y756	E748-K753 VanDerWaalsContact CD-NZ 3.31Å; E748-K753 WeakPolarHBondContact OE1-CB 3.26Å; E748-K753 WeakPolarHBondContact OE1-CG 3.25Å; E748-K753 IonicContact OE1-NZ 3.18Å; E748-K753 PolarHBondContact OE1-NZ 2.8Å; E748-K753 IonicContact OE2-NZ 3.44Å; E748-K753 PolarHBondContact OE2-NZ 3.3Å; E748-Y756 HydrophobicContact CB-CD1 4.17Å; E748-Y756 HydrophobicContact CB-CE1 4.32Å; E748-Y756 HydrophobicContact CG-CD1 4.06Å; E748-Y756 HydrophobicContact CG-CE1 3.86Å
749	N	72.1	Confident	77.6	Confident	32 Å²	32	70.9 Å²	70.9	17%	0.171	35%	0.351	C	S	.	.			trans	-87.8	109.4	174.2	-175.1	-8.6	0	0	0	111	N751 N752 K753 W755 W771	N749-N751 PolarHBondContact O-N 3.47Å; N749-N751 PolarHBondContact OD1-N 3.01Å; N749-N751 VanDerWaalsContact OD1-N 3.15Å; N749-N752 PolarHBondContact O-N 3.41Å; N749-K753 PolarHBondContact O-N 2.84Å; N749-K753 VanDerWaalsContact O-N 3.13Å; N749-W755 HydrophobicContact CB-CB 4.01Å; N749-W755 WeakPolarHBondContact CB-O 3.37Å; N749-W755 PolarHBondContact N-O 2.85Å; N749-W771 HydrophobicContact CB-CH2 4.18Å; N749-W771 HydrophobicContact CB-CZ3 3.82Å
750	D	65.1	Low	78	Confident	156 Å²	156	67.9 Å²	67.9	83%	0.834	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-31.9	-179.7	-66.8	-48.4	0	0	0	113.7	N752	D750-N752 PolarHBondContact O-N 2.89Å
751	N	59.2	Low	78.3	Confident	123 Å²	123	66.3 Å²	66.3	66%	0.658	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-15.4	-169	-75.1	-1.5	0	0	0	115	N749	N749-N751 PolarHBondContact O-N 3.47Å; N749-N751 PolarHBondContact OD1-N 3.01Å; N749-N751 VanDerWaalsContact OD1-N 3.15Å
752	N	57.6	Low	78.1	Confident	105 Å²	105	67.5 Å²	67.5	56%	0.561	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-161.5	-5.3	177.2	-122.8	11.8	0	0	0	117.1	N749 D750 E754	N749-N752 PolarHBondContact O-N 3.41Å; D750-N752 PolarHBondContact O-N 2.89Å; N752-E754 HydrophobicContact CB-CB 4.33Å; N752-E754 HydrophobicContact CB-CG 4.09Å; N752-E754 PolarHBondContact ND2-OE2 3.45Å; N752-E754 PolarHBondContact O-N 2.75Å
753	K	66.7	Low	77.8	Confident	131 Å²	131	69.5 Å²	69.5	57%	0.57	34%	0.341	S	S	*	.	S	Bend	trans	60.3	0.7	-169	-50.5	-169.5	152.7	-75.1	0	116.2	E748 N749 W755 A774	E748-K753 VanDerWaalsContact CD-NZ 3.31Å; E748-K753 WeakPolarHBondContact OE1-CB 3.26Å; E748-K753 WeakPolarHBondContact OE1-CG 3.25Å; E748-K753 IonicContact OE1-NZ 3.18Å; E748-K753 PolarHBondContact OE1-NZ 2.8Å; E748-K753 IonicContact OE2-NZ 3.44Å; E748-K753 PolarHBondContact OE2-NZ 3.3Å; N749-K753 PolarHBondContact O-N 2.84Å; N749-K753 VanDerWaalsContact O-N 3.13Å; K753-W755 VanDerWaalsContact C-N 3.28Å; K753-W755 PolarHBondContact O-N 2.83Å; K753-A774 VanDerWaalsContact O-CB 3.27Å; K753-A774 WeakPolarHBondContact O-CB 3.33Å
754	E	74.1	Confident	77.3	Confident	110 Å²	110	73.6 Å²	73.6	51%	0.514	37%	0.369	S	S	.	.			trans	-77.2	-9.7	-178.8	-70.4	173.6	150.1	0	0	114.1	N752 P773 A774	N752-E754 HydrophobicContact CB-CB 4.33Å; N752-E754 HydrophobicContact CB-CG 4.09Å; N752-E754 PolarHBondContact ND2-OE2 3.45Å; N752-E754 PolarHBondContact O-N 2.75Å; E754-P773 CarbonylContact O-C 3.56Å; E754-P773 WeakPolarHBondContact O-CA 3.32Å; E754-A774 PolarHBondContact O-N 3.27Å
755	W	81.3	Confident	76.8	Confident	8 Å²	8	73.3 Å²	73.3	3%	0.03	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.2	-175.1	-68.5	83.4	0	0	0	111.5	W716 I723 L725 P726 F734 N749 K753 W771 F772 P773	W716-W755 AromaticContact CH2-CZ3 3.98Å; W716-W755 HydrophobicContact CH2-CZ3 3.98Å; W716-W755 HydrophobicContact CZ2-CH2 4.05Å; W716-W755 AromaticContact CZ2-CZ3 3.95Å; W716-W755 HydrophobicContact CZ2-CZ3 3.95Å; I723-W755 HydrophobicContact CG2-CZ2 4.21Å; L725-W755 HydrophobicContact CD2-CH2 4.33Å; P726-W755 HydrophobicContact CG-CD2 3.84Å; P726-W755 VanDerWaalsContact CG-CE2 3.49Å; P726-W755 HydrophobicContact CG-CG 4.06Å; P726-W755 HydrophobicContact CG-CZ2 3.94Å; F734-W755 HydrophobicContact CD1-CH2 4.45Å; F734-W755 AromaticContact CD1-CZ3 3.8Å; F734-W755 HydrophobicContact CD1-CZ3 3.8Å; F734-W755 HydrophobicContact CE1-CE3 4.18Å; F734-W755 AromaticContact CE1-CH2 3.86Å; F734-W755 HydrophobicContact CE1-CH2 3.86Å; F734-W755 AromaticContact CE1-CZ3 3.46Å; F734-W755 HydrophobicContact CE1-CZ3 3.46Å; F734-W755 VanDerWaalsContact CE1-CZ3 3.46Å; F734-W755 HydrophobicContact CZ-CH2 4.45Å; F734-W755 HydrophobicContact CZ-CZ3 4.45Å; N749-W755 HydrophobicContact CB-CB 4.01Å; N749-W755 WeakPolarHBondContact CB-O 3.37Å; N749-W755 PolarHBondContact N-O 2.85Å; K753-W755 VanDerWaalsContact C-N 3.28Å; K753-W755 PolarHBondContact O-N 2.83Å; W755-W771 HydrophobicContact CB-CE3 4.1Å; W755-W771 HydrophobicContact CB-CZ3 4.47Å; W755-W771 HydrophobicContact CE3-CB 4.2Å; W755-F772 WeakPolarHBondContact CA-O 3.42Å; W755-F772 VanDerWaalsContact CE3-C 3.45Å; W755-P773 HydrophobicContact CE3-CG 4.38Å; W755-P773 HydrophobicContact CH2-CG 3.88Å; W755-P773 HydrophobicContact CZ2-CG 4.25Å; W755-P773 HydrophobicContact CZ3-CG 3.94Å
756	Y	86.6	Confident	76.5	Confident	57 Å²	57	76.3 Å²	76.3	22%	0.224	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	147	172.1	-64	-55.8	0	0	0	110	I745 E748 W771 F772 A774 L777	I745-Y756 HydrophobicContact CD1-CD1 4.44Å; I745-Y756 HydrophobicContact CD1-CD2 4.1Å; I745-Y756 HydrophobicContact CD1-CE2 4.34Å; I745-Y756 HydrophobicContact CD1-CG 4.18Å; I745-Y756 HydrophobicContact CG2-CD1 4.11Å; I745-Y756 HydrophobicContact CG2-CG 4.27Å; E748-Y756 HydrophobicContact CB-CD1 4.17Å; E748-Y756 HydrophobicContact CB-CE1 4.32Å; E748-Y756 HydrophobicContact CG-CD1 4.06Å; E748-Y756 HydrophobicContact CG-CE1 3.86Å; Y756-W771 VanDerWaalsContact C-CE3 3.43Å; Y756-W771 CarbonylContact O-C 3.57Å; Y756-W771 VanDerWaalsContact O-CA 3.29Å; Y756-W771 WeakPolarHBondContact O-CA 3.31Å; Y756-F772 HydrophobicContact CD2-CE2 4Å; Y756-F772 HydrophobicContact CD2-CZ 4.42Å; Y756-F772 HydrophobicContact CG-CE2 4.42Å; Y756-F772 HydrophobicContact CG-CZ 4.47Å; Y756-F772 PolarHBondContact N-O 2.9Å; Y756-F772 WeakPolarHBondContact O-CD1 3.21Å; Y756-F772 PolarHBondContact O-N 2.87Å; Y756-A774 HydrophobicContact CD2-CB 3.75Å; Y756-A774 HydrophobicContact CE2-CB 3.35Å; Y756-L777 HydrophobicContact CD2-CD1 4.23Å
757	F	87.8	Confident	76.5	Confident	42 Å²	42	77 Å²	77	18%	0.184	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.5	166.6	-170.7	-89.1	0	0	0	108.4	T746 K747 K769 G770 W771	T746-F757 PolarHBondContact N-O 2.93Å; K747-F757 HydrophobicContact CB-CB 3.93Å; K747-F757 HydrophobicContact CG-CB 4.44Å; K747-F757 PolarHBondContact N-O 2.8Å; K747-F757 PolarHBondContact O-N 3.25Å; F757-K769 HydrophobicContact CE1-CB 4.13Å; F757-K769 HydrophobicContact CZ-CB 4.01Å; F757-G770 WeakPolarHBondContact CA-O 3.4Å; F757-G770 VanDerWaalsContact CD2-C 3.47Å; F757-G770 VanDerWaalsContact CE2-CA 3.48Å; F757-W771 HydrophobicContact CB-CD2 3.93Å; F757-W771 HydrophobicContact CB-CE3 3.79Å; F757-W771 HydrophobicContact CB-CH2 4.04Å; F757-W771 HydrophobicContact CB-CZ2 4.19Å; F757-W771 HydrophobicContact CB-CZ3 3.83Å; F757-W771 AromaticContact CD2-CD1 3.72Å; F757-W771 AromaticContact CD2-CD2 3.82Å; F757-W771 HydrophobicContact CD2-CD2 3.82Å; F757-W771 AromaticContact CD2-CE2 3.68Å; F757-W771 AromaticContact CD2-CG 3.86Å; F757-W771 HydrophobicContact CD2-CG 3.86Å; F757-W771 HydrophobicContact CD2-CZ2 4.3Å; F757-W771 AromaticContact CD2-NE1 3.62Å; F757-W771 HydrophobicContact CG-CD2 4.39Å
758	G	86.7	Confident	76.6	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	-178.5	-178.3	0	0	0	0	0	113.8	K744 K769 G770	K744-G758 CarbonylContact O-C 3.51Å; K744-G758 WeakPolarHBondContact O-CA 3.33Å; G758-K769 VanDerWaalsContact O-CA 3.29Å; G758-K769 WeakPolarHBondContact O-CA 3.2Å; G758-G770 PolarHBondContact N-O 2.73Å; G758-G770 PolarHBondContact O-N 2.79Å; G758-G770 VanDerWaalsContact O-N 3.13Å
759	E	89.1	Confident	77	Confident	33 Å²	33	78.2 Å²	78.2	15%	0.154	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.9	174.8	60.7	-170	-170	0	0	110.4	K744 V767 N768 K769	K744-E759 HydrophobicContact CB-CG 3.94Å; K744-E759 HydrophobicContact CD-CG 4.32Å; K744-E759 WeakPolarHBondContact CD-OE1 3.35Å; K744-E759 WeakPolarHBondContact CE-OE1 3.27Å; K744-E759 HydrophobicContact CG-CG 4.34Å; K744-E759 PolarHBondContact N-O 2.68Å; K744-E759 IonicContact NZ-OE1 3.84Å; K744-E759 PolarHBondContact NZ-OE1 3.01Å; K744-E759 PolarHBondContact O-N 2.65Å; E759-V767 HydrophobicContact CB-CG1 3.9Å; E759-N768 WeakPolarHBondContact CA-O 3.34Å; E759-K769 HydrophobicContact CB-CD 4.09Å; E759-K769 HydrophobicContact CB-CG 3.89Å; E759-K769 VanDerWaalsContact OE2-CE 3.23Å; E759-K769 WeakPolarHBondContact OE2-CE 3.38Å; E759-K769 IonicContact OE2-NZ 2.66Å; E759-K769 PolarHBondContact OE2-NZ 2.82Å
760	I	87.3	Confident	77.8	Confident	12 Å²	12	76.7 Å²	76.7	6%	0.062	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.3	166.2	63	-174.7	0	0	0	108.4	L735 T736 L737 D741 V743 V767 N768	L735-I760 HydrophobicContact CD1-CD1 3.95Å; L735-I760 HydrophobicContact CD1-CG1 4.03Å; L735-I760 HydrophobicContact CD2-CG1 4.46Å; L735-I760 HydrophobicContact CD2-CG2 4.24Å; L735-I760 HydrophobicContact CG-CD1 4.26Å; L735-I760 HydrophobicContact CG-CG1 4.48Å; T736-I760 WeakPolarHBondContact O-CD1 3.34Å; L737-I760 HydrophobicContact CD2-CG2 4.25Å; D741-I760 HydrophobicContact CB-CG2 4.35Å; V743-I760 HydrophobicContact CB-CG2 4.2Å; V743-I760 HydrophobicContact CG1-CG2 4.21Å; V743-I760 HydrophobicContact CG2-CG2 3.77Å; I760-V767 CarbonylContact O-C 3.59Å; I760-V767 WeakPolarHBondContact O-CA 3.38Å; I760-N768 HydrophobicContact CD1-CB 4.37Å; I760-N768 HydrophobicContact CG1-CB 3.93Å; I760-N768 PolarHBondContact N-O 2.7Å; I760-N768 PolarHBondContact O-N 2.81Å
761	T	82.5	Confident	78.9	Confident	91 Å²	91	70.9 Å²	70.9	56%	0.558	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.5	171.2	-53.1	0	0	0	0	108	I766 V767	T761-I766 WeakPolarHBondContact CA-O 3.22Å; T761-V767 HydrophobicContact CG2-CG2 4.33Å
762	D	73.2	Confident	80.2	Confident	57 Å²	57	65 Å²	65	31%	0.305	34%	0.337	S	S	.	.			trans	-73.9	176.9	-179.2	96.1	-43.8	0	0	0	112.3	S764 G765 I766	D762-S764 PolarHBondContact O-N 3.5Å; D762-S764 VanDerWaalsContact O-N 3.16Å; D762-S764 WeakPolarHBondContact OD1-CA 3.48Å; D762-S764 PolarHBondContact OD1-N 3.14Å; D762-S764 PolarHBondContact OD1-OG 3.37Å; D762-S764 WeakPolarHBondContact OD2-CB 3.34Å; D762-S764 PolarHBondContact OD2-N 2.92Å; D762-S764 VanDerWaalsContact OD2-N 3.13Å; D762-S764 PolarHBondContact OD2-OG 2.83Å; D762-G765 PolarHBondContact O-N 3.44Å; D762-G765 PolarHBondContact OD1-N 3.47Å; D762-I766 PolarHBondContact N-O 2.85Å; D762-I766 WeakPolarHBondContact OD1-CB 3.49Å; D762-I766 PolarHBondContact OD1-N 3.17Å
763	K	71.7	Confident	81.5	Confident	191 Å²	191	60.1 Å²	60.1	83%	0.83	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-1.5	179.3	-67.5	164.1	-176.5	162.3	0	113.6	D740	D740-K763 IonicContact OD2-NZ 2.89Å
764	S	72	Confident	82.2	Confident	85 Å²	85	54.9 Å²	54.9	59%	0.594	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-4.5	171.7	72.4	0	0	0	0	114.3	D762	D762-S764 PolarHBondContact O-N 3.5Å; D762-S764 VanDerWaalsContact O-N 3.16Å; D762-S764 WeakPolarHBondContact OD1-CA 3.48Å; D762-S764 PolarHBondContact OD1-N 3.14Å; D762-S764 PolarHBondContact OD1-OG 3.37Å; D762-S764 WeakPolarHBondContact OD2-CB 3.34Å; D762-S764 PolarHBondContact OD2-N 2.92Å; D762-S764 VanDerWaalsContact OD2-N 3.13Å; D762-S764 PolarHBondContact OD2-OG 2.83Å
765	G	75	Confident	82.4	Confident	51 Å²	51	54.2 Å²	54.2	53%	0.526	30%	0.298	S	S	.	.	S	Bend	trans	92.3	7.4	179.9	0	0	0	0	0	114.8	D762	D762-G765 PolarHBondContact O-N 3.44Å; D762-G765 PolarHBondContact OD1-N 3.47Å
766	I	76.6	Confident	82.1	Confident	97 Å²	97	54 Å²	54	50%	0.497	30%	0.298	S	S	.	.			trans	-78.3	128	174.9	-61.1	174.3	0	0	0	108.8	T761 D762	T761-I766 WeakPolarHBondContact CA-O 3.22Å; D762-I766 PolarHBondContact N-O 2.85Å; D762-I766 WeakPolarHBondContact OD1-CB 3.49Å; D762-I766 PolarHBondContact OD1-N 3.17Å
767	V	82	Confident	81.6	Confident	68 Å²	68	52.4 Å²	52.4	41%	0.412	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	103.5	178.7	-175.1	0	0	0	0	109.7	E759 I760 T761 K769	E759-V767 HydrophobicContact CB-CG1 3.9Å; I760-V767 CarbonylContact O-C 3.59Å; I760-V767 WeakPolarHBondContact O-CA 3.38Å; T761-V767 HydrophobicContact CG2-CG2 4.33Å; V767-K769 HydrophobicContact CG1-CG 4.19Å
768	N	82.4	Confident	80.6	Confident	78 Å²	78	56.2 Å²	56.2	42%	0.417	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	138.7	174.2	-65.6	-40.2	0	0	0	109.7	L735 E759 I760	L735-N768 HydrophobicContact CD1-CB 3.72Å; E759-N768 WeakPolarHBondContact CA-O 3.34Å; I760-N768 HydrophobicContact CD1-CB 4.37Å; I760-N768 HydrophobicContact CG1-CB 3.93Å; I760-N768 PolarHBondContact N-O 2.7Å; I760-N768 PolarHBondContact O-N 2.81Å
769	K	89.1	Confident	78.9	Confident	115 Å²	115	61.7 Å²	61.7	50%	0.5	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146	-177.4	-48.6	-161	-173	-156.4	0	111.6	F757 G758 E759 V767	F757-K769 HydrophobicContact CE1-CB 4.13Å; F757-K769 HydrophobicContact CZ-CB 4.01Å; G758-K769 VanDerWaalsContact O-CA 3.29Å; G758-K769 WeakPolarHBondContact O-CA 3.2Å; E759-K769 HydrophobicContact CB-CD 4.09Å; E759-K769 HydrophobicContact CB-CG 3.89Å; E759-K769 VanDerWaalsContact OE2-CE 3.23Å; E759-K769 WeakPolarHBondContact OE2-CE 3.38Å; E759-K769 IonicContact OE2-NZ 2.66Å; E759-K769 PolarHBondContact OE2-NZ 2.82Å; V767-K769 HydrophobicContact CG1-CG 4.19Å
770	G	87.8	Confident	76.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-179	178.5	0	0	0	0	0	113.8	Q733 F757 G758	Q733-G770 CarbonylContact O-C 3.53Å; Q733-G770 WeakPolarHBondContact O-CA 3.33Å; F757-G770 WeakPolarHBondContact CA-O 3.4Å; F757-G770 VanDerWaalsContact CD2-C 3.47Å; F757-G770 VanDerWaalsContact CE2-CA 3.48Å; G758-G770 PolarHBondContact N-O 2.73Å; G758-G770 PolarHBondContact O-N 2.79Å; G758-G770 VanDerWaalsContact O-N 3.13Å
771	W	87.5	Confident	74.4	Confident	34 Å²	34	68.1 Å²	68.1	13%	0.129	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	144.9	176.8	-66.8	102.1	0	0	0	112.1	W716 I729 Q733 F734 L735 N749 W755 Y756 F757	W716-W771 WeakPolarHBondContact CH2-O 3.45Å; W716-W771 VanDerWaalsContact CZ3-O 3.28Å; W716-W771 WeakPolarHBondContact CZ3-O 3.26Å; I729-W771 HydrophobicContact CD1-CB 4.32Å; I729-W771 HydrophobicContact CD1-CD2 3.57Å; I729-W771 HydrophobicContact CD1-CE3 4.17Å; I729-W771 HydrophobicContact CD1-CG 3.63Å; I729-W771 HydrophobicContact CD1-CZ2 4.3Å; I729-W771 HydrophobicContact CG1-CD2 4.49Å; I729-W771 HydrophobicContact CG1-CG 4.33Å; I729-W771 HydrophobicContact CG2-CB 4.3Å; I729-W771 VanDerWaalsContact CG2-CD1 3.46Å; I729-W771 HydrophobicContact CG2-CG 4.02Å; Q733-W771 PolarHBondContact O-N 2.84Å; F734-W771 WeakPolarHBondContact CA-O 3.39Å; F734-W771 HydrophobicContact CD1-CB 3.92Å; F734-W771 HydrophobicContact CE1-CB 4.18Å; L735-W771 PolarHBondContact N-O 2.69Å; N749-W771 HydrophobicContact CB-CH2 4.18Å; N749-W771 HydrophobicContact CB-CZ3 3.82Å; W755-W771 HydrophobicContact CB-CE3 4.1Å; W755-W771 HydrophobicContact CB-CZ3 4.47Å; W755-W771 HydrophobicContact CE3-CB 4.2Å; Y756-W771 VanDerWaalsContact C-CE3 3.43Å; Y756-W771 CarbonylContact O-C 3.57Å; Y756-W771 VanDerWaalsContact O-CA 3.29Å; Y756-W771 WeakPolarHBondContact O-CA 3.31Å; F757-W771 HydrophobicContact CB-CD2 3.93Å; F757-W771 HydrophobicContact CB-CE3 3.79Å; F757-W771 HydrophobicContact CB-CH2 4.04Å; F757-W771 HydrophobicContact CB-CZ2 4.19Å; F757-W771 HydrophobicContact CB-CZ3 3.83Å; F757-W771 AromaticContact CD2-CD1 3.72Å; F757-W771 AromaticContact CD2-CD2 3.82Å; F757-W771 HydrophobicContact CD2-CD2 3.82Å; F757-W771 AromaticContact CD2-CE2 3.68Å; F757-W771 AromaticContact CD2-CG 3.86Å; F757-W771 HydrophobicContact CD2-CG 3.86Å; F757-W771 HydrophobicContact CD2-CZ2 4.3Å; F757-W771 AromaticContact CD2-NE1 3.62Å; F757-W771 HydrophobicContact CG-CD2 4.39Å
772	F	86.9	Confident	72.1	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	158.5	171.9	59.7	-89.4	0	0	0	110.9	W716 L735 L737 V743 W755 Y756 L777	W716-F772 HydrophobicContact CD2-CB 4.45Å; W716-F772 HydrophobicContact CE3-CB 3.65Å; W716-F772 HydrophobicContact CH2-CB 4.3Å; W716-F772 HydrophobicContact CZ3-CB 3.55Å; L735-F772 HydrophobicContact CB-CD1 4.45Å; L735-F772 HydrophobicContact CD2-CD1 4.29Å; L737-F772 HydrophobicContact CD1-CB 3.96Å; L737-F772 HydrophobicContact CD1-CD1 4.49Å; L737-F772 HydrophobicContact CD1-CD2 3.75Å; L737-F772 HydrophobicContact CD1-CE2 4.4Å; L737-F772 HydrophobicContact CD1-CG 3.8Å; L737-F772 HydrophobicContact CG-CB 4.38Å; L737-F772 HydrophobicContact CG-CG 4.47Å; V743-F772 HydrophobicContact CG1-CD1 4.48Å; V743-F772 HydrophobicContact CG1-CE1 3.56Å; V743-F772 HydrophobicContact CG1-CZ 3.62Å; W755-F772 WeakPolarHBondContact CA-O 3.42Å; W755-F772 VanDerWaalsContact CE3-C 3.45Å; Y756-F772 HydrophobicContact CD2-CE2 4Å; Y756-F772 HydrophobicContact CD2-CZ 4.42Å; Y756-F772 HydrophobicContact CG-CE2 4.42Å; Y756-F772 HydrophobicContact CG-CZ 4.47Å; Y756-F772 PolarHBondContact N-O 2.9Å; Y756-F772 WeakPolarHBondContact O-CD1 3.21Å; Y756-F772 PolarHBondContact O-N 2.87Å; F772-L777 HydrophobicContact CE2-CD1 3.57Å; F772-L777 HydrophobicContact CE2-CG 3.87Å; F772-L777 HydrophobicContact CZ-CD1 3.96Å
773	P	84.3	Confident	70	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.013	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	137.9	-179.9	-21.7	34	0	0	0	113.2	W716 I723 E754 W755 C775 C776	W716-P773 HydrophobicContact CD2-CG 4.33Å; W716-P773 HydrophobicContact CZ2-CG 4.04Å; I723-P773 HydrophobicContact CD1-CB 4.21Å; I723-P773 HydrophobicContact CD1-CG 4.2Å; E754-P773 CarbonylContact O-C 3.56Å; E754-P773 WeakPolarHBondContact O-CA 3.32Å; W755-P773 HydrophobicContact CE3-CG 4.38Å; W755-P773 HydrophobicContact CH2-CG 3.88Å; W755-P773 HydrophobicContact CZ2-CG 4.25Å; W755-P773 HydrophobicContact CZ3-CG 3.94Å; P773-C775 PolarHBondContact O-N 3.37Å; P773-C776 WeakPolarHBondContact O-CB 3.47Å; P773-C776 PolarHBondContact O-N 3.45Å; P773-C776 VanDerWaalsContact O-N 3.11Å
774	A	81.7	Confident	67.8	Low	21 Å²	21	74 Å²	74	17%	0.174	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-60.3	-28	178.5	0	0	0	0	0	113.3	K753 E754 Y756 C776 L777	K753-A774 VanDerWaalsContact O-CB 3.27Å; K753-A774 WeakPolarHBondContact O-CB 3.33Å; E754-A774 PolarHBondContact O-N 3.27Å; Y756-A774 HydrophobicContact CD2-CB 3.75Å; Y756-A774 HydrophobicContact CE2-CB 3.35Å; A774-C776 PolarHBondContact O-N 3.48Å; A774-L777 PolarHBondContact O-N 3.48Å
775	C	78.2	Confident	65.8	Low	96 Å²	96	75.7 Å²	75.7	65%	0.649	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-69.3	-13.1	177.7	60.7	0	0	0	0	114.5	P773 L777	P773-C775 PolarHBondContact O-N 3.37Å; C775-L777 VanDerWaalsContact C-N 3.26Å; C775-L777 PolarHBondContact O-N 3.4Å
776	C	75.4	Confident	63.6	Low	5 Å²	5	78 Å²	78	3%	0.034	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-75.8	-13.7	176.1	-62.1	0	0	0	0	113.1	Q713 L737 P773 A774	Q713-C776 PolarHBondContact N-O 3.4Å; L737-C776 HydrophobicContact CD1-CB 4.16Å; P773-C776 WeakPolarHBondContact O-CB 3.47Å; P773-C776 PolarHBondContact O-N 3.45Å; P773-C776 VanDerWaalsContact O-N 3.11Å; A774-C776 PolarHBondContact O-N 3.48Å
777	L	76.6	Confident	61.3	Low	22 Å²	22	80 Å²	80	12%	0.115	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.7	-178.8	-62.8	-176.4	0	0	0	112.5	V712 V743 I745 Y756 F772 A774 C775	V712-L777 HydrophobicContact CG2-CD2 3.97Å; V743-L777 HydrophobicContact CG2-CD2 4.44Å; I745-L777 HydrophobicContact CD1-CD1 3.79Å; I745-L777 HydrophobicContact CG1-CD1 4.27Å; Y756-L777 HydrophobicContact CD2-CD1 4.23Å; F772-L777 HydrophobicContact CE2-CD1 3.57Å; F772-L777 HydrophobicContact CE2-CG 3.87Å; F772-L777 HydrophobicContact CZ-CD1 3.96Å; A774-L777 PolarHBondContact O-N 3.48Å; C775-L777 VanDerWaalsContact C-N 3.26Å; C775-L777 PolarHBondContact O-N 3.4Å
778	K	66.1	Low	58.8	Low	123 Å²	123	83.4 Å²	83.4	54%	0.535	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.8	169.3	-168.4	164	179.1	178.4	0	111	E711 Q713 S780	E711-K778 PolarHBondContact O-N 2.83Å; Q713-K778 HydrophobicContact CG-CB 3.66Å; Q713-K778 HydrophobicContact CG-CD 4.23Å; K778-S780 PolarHBondContact O-N 2.84Å; K778-S780 VanDerWaalsContact O-N 3.1Å
779	P	50.8	Low	56.3	Low	115 Å²	115	85.7 Å²	85.7	75%	0.747	48%	0.478	S	S	*	.			trans	-63.1	112.4	173.8	-22.6	33.8	0	0	0	111.3
780	S	43.2	Very low	53.7	Low	63 Å²	63	86.9 Å²	86.9	44%	0.441	49%	0.486	S	S	.	.			trans	-116.8	79	-179.6	-166.5	0	0	0	0	110.8	K778 K782	K778-S780 PolarHBondContact O-N 2.84Å; K778-S780 VanDerWaalsContact O-N 3.1Å; S780-K782 PolarHBondContact O-N 3.31Å
781	T	38.9	Very low	51	Low	117 Å²	117	93.9 Å²	93.9	72%	0.718	52%	0.523	S	S	*	.			trans	-77.4	99.5	175.7	52.4	0	0	0	0	110.4	S783	T781-S783 PolarHBondContact O-N 2.98Å
782	K	35	Very low	48.3	Very low	199 Å²	199	95.7 Å²	95.7	87%	0.865	55%	0.552	S	S	*	*			trans	-65.4	95.5	168.8	-73.6	-178.8	179.3	172.8	0	109.9	S780 N784	S780-K782 PolarHBondContact O-N 3.31Å; K782-N784 PolarHBondContact O-N 2.95Å; K782-N784 VanDerWaalsContact O-N 3.15Å
783	S	29	Very low	45.8	Very low	90 Å²	90	103.6 Å²	103.6	63%	0.629	59%	0.594	S	S	*	*			trans	-70.2	105.4	-179.4	54	0	0	0	0	111.4	T781 T785	T781-S783 PolarHBondContact O-N 2.98Å; S783-T785 PolarHBondContact O-N 2.79Å
784	N	25.5	Very low	43.2	Very low	172 Å²	172	110.5 Å²	110.5	92%	0.92	63%	0.631	S	S	*	*			trans	-74	76.2	170.4	-113.3	-8.5	0	0	0	110.3	K782	K782-N784 PolarHBondContact O-N 2.95Å; K782-N784 VanDerWaalsContact O-N 3.15Å
785	T	30.1	Very low	40.9	Very low	122 Å²	122	116.1 Å²	116.1	75%	0.748	66%	0.656	S	S	*	*			trans	-116.9	87.6	173.3	45.5	0	0	0	0	109.8	S783	S783-T785 PolarHBondContact O-N 2.79Å
786	S	28.2	Very low	38.8	Very low	98 Å²	98	116.1 Å²	116.1	69%	0.685	66%	0.657	S	S	*	*			trans	-72.6	153.5	165.5	52	0	0	0	0	111.2
787	N	28.6	Very low	36.8	Very low	140 Å²	140	121.2 Å²	121.2	75%	0.749	69%	0.693	S	S	*	*			trans	92.2	124	159.5	-60.2	-26.2	0	0	0	120.4
788	I	30.5	Very low	34.7	Very low	139 Å²	139	126.3 Å²	126.3	71%	0.713	73%	0.73	S	S	*	*			trans	87.5	92.7	142.8	-65.5	162.1	0	0	0	117.7
789	N	30	Very low	33	Very low	127 Å²	127	125.6 Å²	125.6	68%	0.679	74%	0.741	S	S	*	*				65.7	142.9	122.9	-59.2	-11.7	0	0	0	120.3
790	Q	34.3	Very low	32	Very low	140 Å²	140	128 Å²	128	65%	0.654	75%	0.747	S	S	*	*			cis	-163.7	156.7	-3.3	-119.7	173.7	33.4	0	0	111.4
791	N	30.6	Very low	31.4	Very low	146 Å²	146	130.1 Å²	130.1	78%	0.781	76%	0.762	S	S	*	*			trans	54.8	131.3	149.9	-53.1	-22.6	0	0	0	120.8
792	G	31.3	Very low	30.9	Very low	73 Å²	73	130 Å²	130	75%	0.753	77%	0.766	S	S	*	*			trans	172.3	40.1	164.6	0	0	0	0	0	122.2
793	L	34.3	Very low	30.8	Very low	165 Å²	165	125.5 Å²	125.5	86%	0.864	76%	0.76	S	S	*	*			trans	51.4	105.3	158.4	-59.4	166.2	0	0	0	118.3
794	N	29.5	Very low	31.2	Very low	148 Å²	148	131.3 Å²	131.3	79%	0.791	77%	0.774	S	S	*	*				86.5	154.5	63.3	-169.2	32.1	0	0	0	115.1
795	I	33.3	Very low	31.9	Very low	139 Å²	139	130.9 Å²	130.9	71%	0.713	77%	0.766	S	S	*	*			trans	100.2	88.1	171	-52.7	176.5	0	0	0	117.3
796	S	33.7	Very low	33	Very low	96 Å²	96	128 Å²	128	67%	0.671	75%	0.749	S	S	*	*				60.6	98.1	123.3	-48.9	0	0	0	0	122.8
797	S	32.6	Very low	34.9	Very low	111 Å²	111	130.2 Å²	130.2	78%	0.776	75%	0.753	S	S	*	*				31.4	126.6	119.4	64	0	0	0	0	121.4
798	S	32.6	Very low	37.4	Very low	129 Å²	129	127.4 Å²	127.4	90%	0.902	74%	0.738	S	S	*	*				-170.4	164.8	107.6	41.1	0	0	0	0	112
799	S	31.2	Very low	40.1	Very low	108 Å²	108	125.2 Å²	125.2	76%	0.755	73%	0.727	S	S	*	*			trans	-92.8	143.2	-170	53.2	0	0	0	0	114.1
800	N	30	Very low	43.1	Very low	166 Å²	166	120.6 Å²	120.6	89%	0.888	70%	0.701	S	S	*	*				-161.2	165.4	128.4	-109.9	-21.3	0	0	0	112.8
801	S	31.2	Very low	45.9	Very low	107 Å²	107	114.3 Å²	114.3	75%	0.748	67%	0.672	S	S	*	*			trans	-111.5	140.1	-171.1	49.7	0	0	0	0	113.3
802	S	28.5	Very low	48.9	Very low	114 Å²	114	107.4 Å²	107.4	80%	0.797	64%	0.635	S	S	*	*			trans	-171.9	151.4	157.5	43.6	0	0	0	0	111.8
803	S	31.8	Very low	52	Low	105 Å²	105	105 Å²	105	73%	0.734	61%	0.605	S	S	*	*			trans	48.5	116.3	171.4	56.5	0	0	0	0	119.1	Q805	S803-Q805 PolarHBondContact O-N 2.78Å
804	K	36.9	Very low	54.9	Low	213 Å²	213	97.2 Å²	97.2	93%	0.926	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-69.8	117	154.5	-70.3	-174.4	175.5	-173.1	0	108.8
805	Q	40	Very low	57.9	Low	163 Å²	163	93.9 Å²	93.9	76%	0.762	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-70.1	150.3	159.9	-76	-170.3	-36	0	0	109.5	S803	S803-Q805 PolarHBondContact O-N 2.78Å
806	P	55.1	Low	60.6	Low	60 Å²	60	93.8 Å²	93.8	39%	0.39	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-70.2	139	169.6	30.6	-33.5	0	0	0	109.8	I808 C837 I847	P806-I808 PolarHBondContact O-N 2.89Å; P806-C837 HydrophobicContact CB-CB 4.37Å; P806-I847 HydrophobicContact CG-CD1 4.14Å
807	D	66.4	Low	63.5	Low	145 Å²	145	93 Å²	93	78%	0.775	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-60.4	130	173.8	-70.9	-57.5	0	0	0	110.5
808	I	82.3	Confident	66.3	Low	81 Å²	81	89 Å²	89	42%	0.415	50%	0.499	S	S	.	.			trans	-96.2	115.9	-179.3	-63.6	154.9	0	0	0	108	P806 R835	P806-I808 PolarHBondContact O-N 2.89Å; I808-R835 HydrophobicContact CG1-CB 4.36Å; I808-R835 HydrophobicContact CG2-CB 3.99Å
809	L	87.2	Confident	69.1	Low	94 Å²	94	90.9 Å²	90.9	49%	0.492	49%	0.493	S	S	.	.			trans	-74.3	-42	-178.1	-60.2	174.9	0	0	0	111.8	V836 C837 I839	L809-V836 PolarHBondContact N-O 2.94Å; L809-C837 WeakPolarHBondContact CD1-O 3.47Å; L809-I839 HydrophobicContact CD1-CD1 4Å; L809-I839 HydrophobicContact CD1-CG1 3.96Å
810	F	92.1	Very high	71.9	Confident	30 Å²	30	86.7 Å²	86.7	13%	0.132	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	168.8	173.1	53.1	-94.6	0	0	0	111.2	C812 V836 I839 W844 K864	F810-C812 HydrophobicContact CD2-CB 4.5Å; F810-C812 HydrophobicContact CE2-CB 4.35Å; F810-V836 HydrophobicContact CD2-CB 4.27Å; F810-V836 HydrophobicContact CD2-CG2 3.91Å; F810-V836 HydrophobicContact CE2-CB 4.11Å; F810-V836 HydrophobicContact CE2-CG2 3.61Å; F810-V836 HydrophobicContact CZ-CB 4.34Å; F810-V836 HydrophobicContact CZ-CG1 4.33Å; F810-V836 HydrophobicContact CZ-CG2 4.21Å; F810-V836 WeakPolarHBondContact O-CB 3.38Å; F810-V836 PolarHBondContact O-N 3.07Å; F810-I839 HydrophobicContact CE1-CD1 3.93Å; F810-I839 HydrophobicContact CZ-CD1 4.46Å; F810-W844 HydrophobicContact CE2-CE3 4.03Å; F810-W844 HydrophobicContact CE2-CH2 4.14Å; F810-W844 AromaticContact CE2-CZ3 3.58Å; F810-W844 HydrophobicContact CE2-CZ3 3.58Å; F810-W844 HydrophobicContact CZ-CD2 4.48Å; F810-W844 AromaticContact CZ-CE3 3.99Å; F810-W844 HydrophobicContact CZ-CE3 3.99Å; F810-W844 AromaticContact CZ-CH2 3.88Å; F810-W844 HydrophobicContact CZ-CH2 3.88Å; F810-W844 HydrophobicContact CZ-CZ2 4.36Å; F810-W844 AromaticContact CZ-CZ3 3.68Å; F810-W844 HydrophobicContact CZ-CZ3 3.68Å; F810-K864 HydrophobicContact CD1-CD 4.05Å; F810-K864 HydrophobicContact CD2-CB 4.27Å; F810-K864 HydrophobicContact CD2-CD 3.69Å; F810-K864 HydrophobicContact CD2-CG 3.62Å; F810-K864 HydrophobicContact CE1-CD 4.09Å; F810-K864 HydrophobicContact CE2-CB 4.13Å; F810-K864 HydrophobicContact CE2-CD 3.76Å; F810-K864 HydrophobicContact CE2-CG 3.89Å; F810-K864 HydrophobicContact CG-CD 3.84Å; F810-K864 VanDerWaalsContact CG-CE 3.41Å; F810-K864 HydrophobicContact CG-CG 4.11Å; F810-K864 HydrophobicContact CZ-CD 3.96Å
811	S	92.7	Very high	74.6	Confident	8 Å²	8	86.9 Å²	86.9	6%	0.056	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	145.2	169.2	-58.7	0	0	0	0	111.5	I834 L865	S811-I834 CarbonylContact C-O 3.48Å; S811-I834 WeakPolarHBondContact CA-O 3.32Å; S811-L865 PolarHBondContact O-N 2.87Å
812	C	94.8	Very high	77.3	Confident	0 Å²	0	86 Å²	86	0%	0	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	163.8	171.9	65.1	0	0	0	0	111.2	F810 L833 I834 V836 V862 R863 L865	F810-C812 HydrophobicContact CD2-CB 4.5Å; F810-C812 HydrophobicContact CE2-CB 4.35Å; C812-L833 CarbonylContact O-C 3.59Å; C812-L833 WeakPolarHBondContact O-CA 3.41Å; C812-I834 PolarHBondContact N-O 3.22Å; C812-I834 PolarHBondContact O-N 2.83Å; C812-V836 HydrophobicContact CB-CG2 4.42Å; C812-V836 VanDerWaalsContact SG-CG2 3.54Å; C812-V862 HydrophobicContact CB-CB 4.11Å; C812-V862 HydrophobicContact CB-CG2 4.16Å; C812-R863 CarbonylContact C-O 3.6Å; C812-R863 WeakPolarHBondContact CA-O 3.45Å; C812-R863 VanDerWaalsContact CB-O 3.28Å; C812-R863 WeakPolarHBondContact CB-O 3.45Å; C812-L865 VanDerWaalsContact C-CD1 3.46Å
813	I	95.6	Very high	79.9	Confident	23 Å²	23	86.8 Å²	86.8	12%	0.118	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.8	178.4	-173.1	166.8	0	0	0	111	L815 D832 V862 R863 L865 M873	I813-L815 PolarHBondContact O-N 3.23Å; I813-D832 CarbonylContact C-O 3.53Å; I813-D832 VanDerWaalsContact CA-O 3.25Å; I813-D832 WeakPolarHBondContact CA-O 3.34Å; I813-V862 CarbonylContact O-C 3.5Å; I813-V862 VanDerWaalsContact O-CA 3.28Å; I813-V862 WeakPolarHBondContact O-CA 3.3Å; I813-R863 HydrophobicContact CG2-CB 4.12Å; I813-R863 PolarHBondContact N-O 2.92Å; I813-R863 PolarHBondContact O-N 3.36Å; I813-L865 HydrophobicContact CB-CD1 3.76Å; I813-L865 HydrophobicContact CG2-CD1 3.68Å; I813-M873 HydrophobicContact CD1-CE 3.89Å; I813-M873 HydrophobicContact CD1-SD 4.27Å
814	A	95.2	Very high	82.5	Confident	2 Å²	2	84 Å²	84	2%	0.017	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	122.8	176.9	0	0	0	0	0	111.7	L828 S829 G831 D832 I834	A814-L828 HydrophobicContact CB-CB 4.04Å; A814-L828 HydrophobicContact CB-CD1 4.19Å; A814-S829 VanDerWaalsContact CB-O 3.32Å; A814-S829 WeakPolarHBondContact CB-O 3.49Å; A814-G831 PolarHBondContact O-N 3.45Å; A814-D832 HydrophobicContact CB-CB 4.16Å; A814-D832 PolarHBondContact N-O 3.3Å; A814-I834 HydrophobicContact CB-CD1 4.22Å
815	L	91.9	Very high	85.1	Confident	77 Å²	77	75.5 Å²	75.5	40%	0.403	41%	0.41	S	S	.	.	S	Bend	trans	-87.2	-30	174	-63	-177.5	0	0	0	112.1	I813 Y861 R863	I813-L815 PolarHBondContact O-N 3.23Å; L815-Y861 PolarHBondContact N-O 2.65Å; L815-R863 HydrophobicContact CD1-CB 4.08Å; L815-R863 HydrophobicContact CD2-CB 3.91Å; L815-R863 HydrophobicContact CG-CB 3.99Å
816	Y	91.9	Very high	87.7	Confident	137 Å²	137	67.8 Å²	67.8	54%	0.537	37%	0.374	S	S	.	.	S	Bend	trans	-131.3	150.2	-175.4	-59.2	-70.3	0	0	0	109.8	Y861	Y816-Y861 PolarHBondContact N-O 2.69Å
817	P	92.8	Very high	89.5	Confident	79 Å²	79	68.6 Å²	68.6	51%	0.513	38%	0.375	S	S	.	.			trans	-70.4	142.1	173.5	31.8	-32.8	0	0	0	109.7	L828 V830 Y861	P817-L828 CarbonylContact C-O 3.55Å; P817-L828 WeakPolarHBondContact CA-O 3.45Å; P817-V830 HydrophobicContact CB-CG2 4.45Å; P817-V830 HydrophobicContact CG-CG2 4.42Å; P817-Y861 WeakPolarHBondContact O-CD1 3.44Å; P817-Y861 VanDerWaalsContact O-CE1 3.28Å; P817-Y861 WeakPolarHBondContact O-CE1 3.48Å
818	Y	92.6	Very high	90.8	Very high	29 Å²	29	61.8 Å²	61.8	11%	0.114	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-132.4	124.8	175.6	-179.9	-107.2	0	0	0	109.3	D825 N827 L828 W843 F857 P858 Y861	Y818-D825 HydrophobicContact CE1-CB 4.44Å; Y818-D825 PolarHBondContact OH-OD2 2.82Å; Y818-D825 VanDerWaalsContact OH-OD2 3.09Å; Y818-N827 CarbonylContact O-C 3.5Å; Y818-N827 VanDerWaalsContact O-CA 3.26Å; Y818-N827 WeakPolarHBondContact O-CA 3.18Å; Y818-L828 PolarHBondContact N-O 3.47Å; Y818-L828 PolarHBondContact O-N 2.93Å; Y818-W843 VanDerWaalsContact OH-CH2 3.24Å; Y818-W843 WeakPolarHBondContact OH-CH2 3.42Å; Y818-W843 WeakPolarHBondContact OH-CZ3 3.28Å; Y818-F857 HydrophobicContact CD1-CB 4.41Å; Y818-P858 HydrophobicContact CD2-CG 3.96Å; Y818-P858 HydrophobicContact CE2-CG 3.63Å; Y818-Y861 HydrophobicContact CD2-CD1 4.27Å; Y818-Y861 HydrophobicContact CD2-CE1 4.15Å; Y818-Y861 HydrophobicContact CG-CD1 4.48Å
819	E	91.8	Very high	91.3	Very high	168 Å²	168	60.4 Å²	60.4	79%	0.785	34%	0.336	S	S	*	.			trans	-129.2	127.9	177.9	-66.7	-177.3	171.6	0	0	108.8
820	S	88.3	Confident	91.5	Very high	20 Å²	20	60.6 Å²	60.6	14%	0.14	34%	0.341	C	S	.	.			trans	-133.4	147.5	178.6	-175.3	0	0	0	0	110.9	V822 D825 N827	S820-V822 PolarHBondContact OG-N 3.37Å; S820-V822 VanDerWaalsContact OG-N 3.17Å; S820-D825 WeakPolarHBondContact CB-OD2 3.46Å; S820-D825 PolarHBondContact OG-OD2 2.89Å; S820-N827 PolarHBondContact N-OD1 3.44Å; S820-N827 PolarHBondContact O-OD1 2.96Å
821	N	87.5	Confident	91.5	Very high	169 Å²	169	61.2 Å²	61.2	90%	0.904	36%	0.355	S	S	*	.			trans	-101	6	174.3	-64.5	-9.5	0	0	0	111.8
822	V	87	Confident	91.6	Very high	88 Å²	88	61.3 Å²	61.3	53%	0.533	36%	0.356	S	S	.	.	S	Bend	trans	-84.7	124.1	-178.3	-178.1	0	0	0	0	110.1	S820 G824 D825	S820-V822 PolarHBondContact OG-N 3.37Å; S820-V822 VanDerWaalsContact OG-N 3.17Å; V822-G824 PolarHBondContact O-N 3.42Å; V822-G824 VanDerWaalsContact O-N 3.08Å; V822-D825 PolarHBondContact O-N 3Å; V822-D825 VanDerWaalsContact O-N 3.13Å
823	P	83.1	Confident	91.6	Very high	132 Å²	132	62.1 Å²	62.1	86%	0.857	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	112.4	176.5	-23	34.5	0	0	0	111.7
824	G	86.4	Confident	91.6	Very high	47 Å²	47	61 Å²	61	49%	0.485	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	120.1	-14.1	-176.3	0	0	0	0	0	114	V822 G855 L856	V822-G824 PolarHBondContact O-N 3.42Å; V822-G824 VanDerWaalsContact O-N 3.08Å; G824-G855 CarbonylContact O-C 3.44Å; G824-G855 WeakPolarHBondContact O-CA 3.25Å; G824-L856 PolarHBondContact O-N 2.96Å
825	D	93.2	Very high	91.5	Very high	33 Å²	33	63.7 Å²	63.7	18%	0.176	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-79.8	157.7	172.8	-73.6	6.1	0	0	0	112	Y818 S820 V822 L856	Y818-D825 HydrophobicContact CE1-CB 4.44Å; Y818-D825 PolarHBondContact OH-OD2 2.82Å; Y818-D825 VanDerWaalsContact OH-OD2 3.09Å; S820-D825 WeakPolarHBondContact CB-OD2 3.46Å; S820-D825 PolarHBondContact OG-OD2 2.89Å; V822-D825 PolarHBondContact O-N 3Å; V822-D825 VanDerWaalsContact O-N 3.13Å; D825-L856 CarbonylContact C-O 3.59Å; D825-L856 VanDerWaalsContact CA-O 3.27Å; D825-L856 WeakPolarHBondContact CA-O 3.37Å
826	L	92.8	Very high	91.6	Very high	2 Å²	2	60 Å²	60	1%	0.01	34%	0.344	C	S	.	.			trans	-115.3	106.8	-177.5	-176.8	63.7	0	0	0	110.9	L828 I834 C848 L853 L856 F857	L826-L828 HydrophobicContact CD2-CD2 4.11Å; L826-L828 HydrophobicContact CG-CD2 3.98Å; L826-L828 WeakPolarHBondContact O-CG 3.34Å; L826-L828 PolarHBondContact O-N 3.22Å; L826-I834 HydrophobicContact CD2-CG2 3.98Å; L826-C848 HydrophobicContact CD1-CB 3.95Å; L826-C848 HydrophobicContact CD2-CB 3.98Å; L826-C848 HydrophobicContact CG-CB 4.24Å; L826-L853 HydrophobicContact CD1-CB 3.8Å; L826-L853 WeakPolarHBondContact CD1-O 3.29Å; L826-L856 PolarHBondContact N-O 2.87Å; L826-F857 HydrophobicContact CB-CD1 4.34Å; L826-F857 HydrophobicContact CD2-CD1 3.89Å; L826-F857 HydrophobicContact CD2-CE1 4.28Å
827	N	93.5	Very high	91.7	Very high	76 Å²	76	54.3 Å²	54.3	41%	0.406	32%	0.324	S	S	.	.			trans	-67.9	127.9	177.6	-66.7	-13.2	0	0	0	111.4	Y818 S820	Y818-N827 CarbonylContact O-C 3.5Å; Y818-N827 VanDerWaalsContact O-CA 3.26Å; Y818-N827 WeakPolarHBondContact O-CA 3.18Å; S820-N827 PolarHBondContact N-OD1 3.44Å; S820-N827 PolarHBondContact O-OD1 2.96Å
828	L	93.5	Very high	91.6	Very high	3 Å²	3	53 Å²	53	2%	0.016	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-113.8	138.5	-175.8	-52.2	-177.3	0	0	0	111.3	A814 P817 Y818 L826 I834 F857 V862	A814-L828 HydrophobicContact CB-CB 4.04Å; A814-L828 HydrophobicContact CB-CD1 4.19Å; P817-L828 CarbonylContact C-O 3.55Å; P817-L828 WeakPolarHBondContact CA-O 3.45Å; Y818-L828 PolarHBondContact N-O 3.47Å; Y818-L828 PolarHBondContact O-N 2.93Å; L826-L828 HydrophobicContact CD2-CD2 4.11Å; L826-L828 HydrophobicContact CG-CD2 3.98Å; L826-L828 WeakPolarHBondContact O-CG 3.34Å; L826-L828 PolarHBondContact O-N 3.22Å; L828-I834 HydrophobicContact CD1-CD1 4.4Å; L828-I834 HydrophobicContact CD2-CD1 3.94Å; L828-I834 HydrophobicContact CD2-CG1 3.81Å; L828-F857 HydrophobicContact CD1-CB 3.96Å; L828-F857 HydrophobicContact CD1-CD2 3.99Å; L828-F857 HydrophobicContact CD1-CG 4.05Å; L828-F857 HydrophobicContact CG-CB 4.36Å; L828-V862 HydrophobicContact CD1-CG1 3.9Å
829	S	93.2	Very high	91.5	Very high	52 Å²	52	55.7 Å²	55.7	36%	0.364	33%	0.33	S	S	.	.			trans	-106.6	149.2	165.4	-60.2	0	0	0	0	109.9	A814 G831 D832 R850	A814-S829 VanDerWaalsContact CB-O 3.32Å; A814-S829 WeakPolarHBondContact CB-O 3.49Å; S829-G831 PolarHBondContact O-N 2.8Å; S829-D832 PolarHBondContact N-OD2 3.28Å; S829-D832 VanDerWaalsContact O-CB 3.28Å; S829-D832 WeakPolarHBondContact O-CB 3.29Å; S829-D832 VanDerWaalsContact O-CG 3.32Å; S829-D832 PolarHBondContact O-N 3.38Å; S829-R850 PolarHBondContact OG-NH2 3.11Å
830	V	92.6	Very high	91.1	Very high	97 Å²	97	52.5 Å²	52.5	59%	0.588	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	125.5	179.2	-178.2	0	0	0	0	110	P817	P817-V830 HydrophobicContact CB-CG2 4.45Å; P817-V830 HydrophobicContact CG-CG2 4.42Å
831	G	91.4	Very high	90.9	Very high	43 Å²	43	58.8 Å²	58.8	44%	0.443	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	-4	-175.6	0	0	0	0	0	115.5	A814 S829 L833	A814-G831 PolarHBondContact O-N 3.45Å; S829-G831 PolarHBondContact O-N 2.8Å; G831-L833 PolarHBondContact O-N 2.88Å
832	D	94.3	Very high	91.1	Very high	11 Å²	11	56.5 Å²	56.5	6%	0.059	33%	0.334	C	S	.	.			trans	-60.5	130.1	173.1	-82.5	-13.8	0	0	0	111.3	I813 A814 S829 I834 R850	I813-D832 CarbonylContact C-O 3.53Å; I813-D832 VanDerWaalsContact CA-O 3.25Å; I813-D832 WeakPolarHBondContact CA-O 3.34Å; A814-D832 HydrophobicContact CB-CB 4.16Å; A814-D832 PolarHBondContact N-O 3.3Å; S829-D832 PolarHBondContact N-OD2 3.28Å; S829-D832 VanDerWaalsContact O-CB 3.28Å; S829-D832 WeakPolarHBondContact O-CB 3.29Å; S829-D832 VanDerWaalsContact O-CG 3.32Å; S829-D832 PolarHBondContact O-N 3.38Å; D832-I834 HydrophobicContact CB-CD1 4.26Å; D832-I834 WeakPolarHBondContact O-CD1 3.2Å; D832-R850 WeakPolarHBondContact OD1-CD 3.36Å; D832-R850 IonicContact OD1-CZ 3.87Å; D832-R850 IonicContact OD1-NE 3.98Å; D832-R850 PolarHBondContact OD1-NE 2.9Å; D832-R850 IonicContact OD1-NH2 2.65Å; D832-R850 IonicContact OD2-CZ 3.74Å; D832-R850 IonicContact OD2-NE 3.31Å; D832-R850 PolarHBondContact OD2-NE 3.01Å; D832-R850 IonicContact OD2-NH2 2.62Å; D832-R850 PolarHBondContact OD2-NH2 3.46Å
833	L	95.1	Very high	91.3	Very high	16 Å²	16	57.3 Å²	57.3	8%	0.084	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.8	168.6	-173	73.1	0	0	0	109.1	C812 G831 E849 L865	C812-L833 CarbonylContact O-C 3.59Å; C812-L833 WeakPolarHBondContact O-CA 3.41Å; G831-L833 PolarHBondContact O-N 2.88Å; L833-E849 HydrophobicContact CB-CB 3.99Å; L833-E849 HydrophobicContact CD2-CB 4.34Å; L833-E849 HydrophobicContact CD2-CG 4.27Å; L833-E849 HydrophobicContact CG-CB 4.47Å; L833-E849 WeakPolarHBondContact O-CB 3.45Å; L833-E849 PolarHBondContact O-N 2.81Å; L833-L865 HydrophobicContact CD1-CD1 4.22Å; L833-L865 HydrophobicContact CD1-CD2 3.93Å
834	I	94.7	Very high	91.8	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.9	178.6	-49.2	96.1	0	0	0	109.5	S811 C812 A814 L826 L828 D832 I847 C848 F857 V862	S811-I834 CarbonylContact C-O 3.48Å; S811-I834 WeakPolarHBondContact CA-O 3.32Å; C812-I834 PolarHBondContact N-O 3.22Å; C812-I834 PolarHBondContact O-N 2.83Å; A814-I834 HydrophobicContact CB-CD1 4.22Å; L826-I834 HydrophobicContact CD2-CG2 3.98Å; L828-I834 HydrophobicContact CD1-CD1 4.4Å; L828-I834 HydrophobicContact CD2-CD1 3.94Å; L828-I834 HydrophobicContact CD2-CG1 3.81Å; D832-I834 HydrophobicContact CB-CD1 4.26Å; D832-I834 WeakPolarHBondContact O-CD1 3.2Å; I834-I847 WeakPolarHBondContact CA-O 3.07Å; I834-I847 WeakPolarHBondContact CG2-O 3.39Å; I834-C848 HydrophobicContact CG1-CB 4.34Å; I834-F857 HydrophobicContact CB-CZ 4.49Å; I834-F857 HydrophobicContact CG2-CD1 4.49Å; I834-F857 HydrophobicContact CG2-CE1 3.66Å; I834-F857 HydrophobicContact CG2-CZ 3.92Å; I834-V862 HydrophobicContact CD1-CG1 4.07Å
835	R	94.5	Very high	92.2	Very high	58 Å²	58	52.4 Å²	52.4	22%	0.219	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	113.2	171.9	-62.2	-174.4	-170.6	-96.9	-9	108.6	I808 G846 I847 E849 E874	I808-R835 HydrophobicContact CG1-CB 4.36Å; I808-R835 HydrophobicContact CG2-CB 3.99Å; R835-G846 CarbonylContact O-C 3.56Å; R835-G846 WeakPolarHBondContact O-CA 3.29Å; R835-I847 PolarHBondContact N-O 3.42Å; R835-I847 PolarHBondContact O-N 3.28Å; R835-E849 IonicContact CZ-OE2 3.62Å; R835-E849 IonicContact NE-OE2 2.87Å; R835-E849 PolarHBondContact NE-OE2 2.91Å; R835-E849 IonicContact NH2-OE2 3.91Å; R835-E849 PolarHBondContact NH2-OE2 3.38Å; R835-E874 IonicContact CZ-OE1 2.94Å; R835-E874 IonicContact NH1-OE1 3.83Å; R835-E874 PolarHBondContact NH1-OE1 2.74Å; R835-E874 IonicContact NH2-OE1 3.71Å; R835-E874 PolarHBondContact NH2-OE1 2.78Å
836	V	94.5	Very high	92.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	128.8	-176.2	-172.2	0	0	0	0	109.8	L809 F810 C812 I839 W844 F857	L809-V836 PolarHBondContact N-O 2.94Å; F810-V836 HydrophobicContact CD2-CB 4.27Å; F810-V836 HydrophobicContact CD2-CG2 3.91Å; F810-V836 HydrophobicContact CE2-CB 4.11Å; F810-V836 HydrophobicContact CE2-CG2 3.61Å; F810-V836 HydrophobicContact CZ-CB 4.34Å; F810-V836 HydrophobicContact CZ-CG1 4.33Å; F810-V836 HydrophobicContact CZ-CG2 4.21Å; F810-V836 WeakPolarHBondContact O-CB 3.38Å; F810-V836 PolarHBondContact O-N 3.07Å; C812-V836 HydrophobicContact CB-CG2 4.42Å; C812-V836 VanDerWaalsContact SG-CG2 3.54Å; V836-I839 HydrophobicContact CG1-CG1 4.39Å; V836-W844 HydrophobicContact CG1-CB 4.14Å; V836-W844 HydrophobicContact CG1-CG 4.49Å; V836-W844 HydrophobicContact CG2-CE3 4.17Å; V836-F857 HydrophobicContact CG2-CZ 4.22Å
837	C	92.1	Very high	92.4	Very high	17 Å²	17	53 Å²	53	12%	0.115	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-26	179.8	-63.8	0	0	0	0	113	P806 L809 E845	P806-C837 HydrophobicContact CB-CB 4.37Å; L809-C837 WeakPolarHBondContact CD1-O 3.47Å; C837-E845 PolarHBondContact N-O 2.81Å
838	V	91.9	Very high	92.4	Very high	51 Å²	51	49.4 Å²	49.4	31%	0.309	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.4	177.3	-157.2	0	0	0	0	110.2	K840 E845	V838-K840 HydrophobicContact CG1-CG 4.27Å; V838-E845 HydrophobicContact CB-CB 3.82Å; V838-E845 HydrophobicContact CG2-CB 4.04Å; V838-E845 PolarHBondContact N-O 2.91Å; V838-E845 PolarHBondContact O-N 3.44Å
839	I	90.2	Very high	92.2	Very high	87 Å²	87	51.2 Å²	51.2	45%	0.446	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.4	173.8	-62.7	165.5	0	0	0	107	L809 F810 V836	L809-I839 HydrophobicContact CD1-CD1 4Å; L809-I839 HydrophobicContact CD1-CG1 3.96Å; F810-I839 HydrophobicContact CE1-CD1 3.93Å; F810-I839 HydrophobicContact CZ-CD1 4.46Å; V836-I839 HydrophobicContact CG1-CG1 4.39Å
840	K	84.4	Confident	92.1	Very high	101 Å²	101	55.3 Å²	55.3	44%	0.439	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	79.1	178.2	-66	166.2	177	165.9	0	107.8	V838 D842 W843 E845 L856	V838-K840 HydrophobicContact CG1-CG 4.27Å; K840-D842 PolarHBondContact O-N 3.21Å; K840-W843 CarbonylContact C-O 3.53Å; K840-W843 WeakPolarHBondContact CA-O 3.43Å; K840-W843 WeakPolarHBondContact CB-O 3.36Å; K840-W843 PolarHBondContact N-O 3.43Å; K840-W843 PolarHBondContact O-N 2.93Å; K840-E845 IonicContact NZ-OE2 2.66Å; K840-E845 PolarHBondContact NZ-OE2 2.85Å; K840-L856 HydrophobicContact CD-CD2 4.2Å
841	D	83.8	Confident	91.9	Very high	151 Å²	151	53 Å²	53	81%	0.807	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	-122.5	-173.6	-49.6	-48	0	0	0	111.6	W843 W844	D841-W843 PolarHBondContact O-N 3.42Å; D841-W844 PolarHBondContact O-NE1 3.02Å
842	D	90.1	Very high	91.9	Very high	121 Å²	121	57.2 Å²	57.2	65%	0.647	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-0.7	178.5	-72.8	-42.3	0	0	0	114.5	K840 A859	K840-D842 PolarHBondContact O-N 3.21Å; D842-A859 VanDerWaalsContact O-CB 3.29Å; D842-A859 WeakPolarHBondContact O-CB 3.42Å; D842-A859 PolarHBondContact O-N 3.33Å
843	W	91.8	Very high	91.8	Very high	105 Å²	105	62 Å²	62	40%	0.398	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.9	177.5	-70.7	74.9	0	0	0	111.2	Y818 K840 D841 L856 F857 P858	Y818-W843 VanDerWaalsContact OH-CH2 3.24Å; Y818-W843 WeakPolarHBondContact OH-CH2 3.42Å; Y818-W843 WeakPolarHBondContact OH-CZ3 3.28Å; K840-W843 CarbonylContact C-O 3.53Å; K840-W843 WeakPolarHBondContact CA-O 3.43Å; K840-W843 WeakPolarHBondContact CB-O 3.36Å; K840-W843 PolarHBondContact N-O 3.43Å; K840-W843 PolarHBondContact O-N 2.93Å; D841-W843 PolarHBondContact O-N 3.42Å; W843-L856 HydrophobicContact CE3-CB 4.18Å; W843-F857 WeakPolarHBondContact CA-O 3.47Å; W843-P858 HydrophobicContact CE3-CG 4.4Å; W843-P858 HydrophobicContact CH2-CG 4.16Å; W843-P858 HydrophobicContact CZ2-CG 4.33Å; W843-P858 HydrophobicContact CZ3-CG 4.18Å
844	W	94.7	Very high	91.6	Very high	42 Å²	42	66.3 Å²	66.3	16%	0.159	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.2	-178.2	-63.8	-4.1	0	0	0	110.3	F810 V836 D841 L856 F857 A859 V862	F810-W844 HydrophobicContact CE2-CE3 4.03Å; F810-W844 HydrophobicContact CE2-CH2 4.14Å; F810-W844 AromaticContact CE2-CZ3 3.58Å; F810-W844 HydrophobicContact CE2-CZ3 3.58Å; F810-W844 HydrophobicContact CZ-CD2 4.48Å; F810-W844 AromaticContact CZ-CE3 3.99Å; F810-W844 HydrophobicContact CZ-CE3 3.99Å; F810-W844 AromaticContact CZ-CH2 3.88Å; F810-W844 HydrophobicContact CZ-CH2 3.88Å; F810-W844 HydrophobicContact CZ-CZ2 4.36Å; F810-W844 AromaticContact CZ-CZ3 3.68Å; F810-W844 HydrophobicContact CZ-CZ3 3.68Å; V836-W844 HydrophobicContact CG1-CB 4.14Å; V836-W844 HydrophobicContact CG1-CG 4.49Å; V836-W844 HydrophobicContact CG2-CE3 4.17Å; D841-W844 PolarHBondContact O-NE1 3.02Å; W844-L856 CarbonylContact O-C 3.58Å; W844-L856 WeakPolarHBondContact O-CA 3.19Å; W844-F857 HydrophobicContact CB-CE1 4.19Å; W844-F857 HydrophobicContact CB-CE2 3.86Å; W844-F857 HydrophobicContact CB-CZ 3.66Å; W844-F857 HydrophobicContact CE3-CE2 4.16Å; W844-F857 HydrophobicContact CE3-CZ 4.41Å; W844-F857 PolarHBondContact N-O 2.86Å; W844-F857 VanDerWaalsContact O-CD1 3.25Å; W844-F857 WeakPolarHBondContact O-CD1 3.45Å; W844-F857 WeakPolarHBondContact O-CE1 3.48Å; W844-F857 PolarHBondContact O-N 3.28Å; W844-A859 HydrophobicContact CD2-CB 3.86Å; W844-A859 VanDerWaalsContact CE2-CB 3.42Å; W844-A859 HydrophobicContact CE3-CB 4.5Å; W844-A859 HydrophobicContact CG-CB 4.18Å; W844-A859 HydrophobicContact CH2-CB 4.38Å; W844-A859 HydrophobicContact CZ2-CB 3.73Å; W844-V862 HydrophobicContact CE3-CG2 3.8Å; W844-V862 HydrophobicContact CH2-CG2 4.47Å; W844-V862 HydrophobicContact CZ3-CG2 3.55Å
845	E	94.5	Very high	91.6	Very high	34 Å²	34	66.5 Å²	66.5	16%	0.159	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.3	177.7	-158.8	-175.8	136.7	0	0	108.9	C837 V838 K840 K854 G855 L856	C837-E845 PolarHBondContact N-O 2.81Å; V838-E845 HydrophobicContact CB-CB 3.82Å; V838-E845 HydrophobicContact CG2-CB 4.04Å; V838-E845 PolarHBondContact N-O 2.91Å; V838-E845 PolarHBondContact O-N 3.44Å; K840-E845 IonicContact NZ-OE2 2.66Å; K840-E845 PolarHBondContact NZ-OE2 2.85Å; E845-K854 WeakPolarHBondContact OE1-CE 3.39Å; E845-K854 IonicContact OE1-NZ 2.77Å; E845-K854 PolarHBondContact OE1-NZ 3.31Å; E845-G855 WeakPolarHBondContact CA-O 3.49Å; E845-L856 HydrophobicContact CB-CD2 3.87Å; E845-L856 HydrophobicContact CG-CD2 4.09Å; E845-L856 HydrophobicContact CG-CG 4.43Å
846	G	93.9	Very high	91.6	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	179	-174.3	0	0	0	0	0	113.3	R835 K854 G855	R835-G846 CarbonylContact O-C 3.56Å; R835-G846 WeakPolarHBondContact O-CA 3.29Å; G846-K854 VanDerWaalsContact O-CA 3.25Å; G846-K854 WeakPolarHBondContact O-CA 3.37Å; G846-K854 WeakPolarHBondContact O-CG 3.33Å; G846-G855 PolarHBondContact N-O 3.2Å; G846-G855 PolarHBondContact O-N 2.82Å
847	I	95.4	Very high	91.6	Very high	48 Å²	48	66 Å²	66	25%	0.246	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.6	179.9	-56.4	171.3	0	0	0	108.4	P806 I834 R835 L853 K854	P806-I847 HydrophobicContact CG-CD1 4.14Å; I834-I847 WeakPolarHBondContact CA-O 3.07Å; I834-I847 WeakPolarHBondContact CG2-O 3.39Å; R835-I847 PolarHBondContact N-O 3.42Å; R835-I847 PolarHBondContact O-N 3.28Å; I847-L853 WeakPolarHBondContact CA-O 3.32Å; I847-K854 HydrophobicContact CG1-CB 4.06Å; I847-K854 HydrophobicContact CG1-CG 3.87Å
848	C	93.5	Very high	91.7	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	127.6	176.2	173	0	0	0	0	110.3	L826 I834 R850 T851 K852 L853	L826-C848 HydrophobicContact CD1-CB 3.95Å; L826-C848 HydrophobicContact CD2-CB 3.98Å; L826-C848 HydrophobicContact CG-CB 4.24Å; I834-C848 HydrophobicContact CG1-CB 4.34Å; C848-R850 PolarHBondContact O-N 2.93Å; C848-T851 WeakPolarHBondContact CB-OG1 3.32Å; C848-K852 VanDerWaalsContact O-CA 3.23Å; C848-K852 WeakPolarHBondContact O-CA 3.34Å; C848-K852 PolarHBondContact O-N 2.82Å; C848-L853 PolarHBondContact N-O 3.49Å
849	E	89.8	Confident	91.7	Very high	42 Å²	42	64 Å²	64	20%	0.196	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-26.8	-176.5	-159	70.9	-90.8	0	0	112.3	L833 R835 K852 L877	L833-E849 HydrophobicContact CB-CB 3.99Å; L833-E849 HydrophobicContact CD2-CB 4.34Å; L833-E849 HydrophobicContact CD2-CG 4.27Å; L833-E849 HydrophobicContact CG-CB 4.47Å; L833-E849 WeakPolarHBondContact O-CB 3.45Å; L833-E849 PolarHBondContact O-N 2.81Å; R835-E849 IonicContact CZ-OE2 3.62Å; R835-E849 IonicContact NE-OE2 2.87Å; R835-E849 PolarHBondContact NE-OE2 2.91Å; R835-E849 IonicContact NH2-OE2 3.91Å; R835-E849 PolarHBondContact NH2-OE2 3.38Å; E849-K852 WeakPolarHBondContact O-CD 3.06Å; E849-K852 WeakPolarHBondContact O-CE 3.45Å; E849-K852 PolarHBondContact O-NZ 3.48Å; E849-K852 IonicContact OE1-NZ 2.79Å; E849-K852 PolarHBondContact OE1-NZ 2.87Å; E849-L877 HydrophobicContact CG-CD1 4.46Å
850	R	90.5	Very high	91.9	Very high	137 Å²	137	65.2 Å²	65.2	52%	0.517	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-47.9	177.4	178.4	-179.1	57.4	87.8	6	112.7	S829 D832 C848	S829-R850 PolarHBondContact OG-NH2 3.11Å; D832-R850 WeakPolarHBondContact OD1-CD 3.36Å; D832-R850 IonicContact OD1-CZ 3.87Å; D832-R850 IonicContact OD1-NE 3.98Å; D832-R850 PolarHBondContact OD1-NE 2.9Å; D832-R850 IonicContact OD1-NH2 2.65Å; D832-R850 IonicContact OD2-CZ 3.74Å; D832-R850 IonicContact OD2-NE 3.31Å; D832-R850 PolarHBondContact OD2-NE 3.01Å; D832-R850 IonicContact OD2-NH2 2.62Å; D832-R850 PolarHBondContact OD2-NH2 3.46Å; C848-R850 PolarHBondContact O-N 2.93Å
851	T	89.5	Confident	92.3	Very high	48 Å²	48	64.2 Å²	64.2	29%	0.294	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-16.8	-174.2	63.3	0	0	0	0	113.4	C848 L853	C848-T851 WeakPolarHBondContact CB-OG1 3.32Å; T851-L853 PolarHBondContact O-N 2.93Å; T851-L853 PolarHBondContact OG1-N 3.44Å
852	K	91.3	Very high	92.8	Very high	133 Å²	133	57.7 Å²	57.7	58%	0.578	27%	0.273	S	S	*	.			trans	54.8	12.1	-167.9	-53	-52.6	-167.1	-155.8	0	114.5	C848 E849	C848-K852 VanDerWaalsContact O-CA 3.23Å; C848-K852 WeakPolarHBondContact O-CA 3.34Å; C848-K852 PolarHBondContact O-N 2.82Å; E849-K852 WeakPolarHBondContact O-CD 3.06Å; E849-K852 WeakPolarHBondContact O-CE 3.45Å; E849-K852 PolarHBondContact O-NZ 3.48Å; E849-K852 IonicContact OE1-NZ 2.79Å; E849-K852 PolarHBondContact OE1-NZ 2.87Å
853	L	91.1	Very high	93	Very high	112 Å²	112	56.9 Å²	56.9	59%	0.586	26%	0.261	S	S	*	.			trans	-80.1	146.7	173.8	-62.6	177.2	0	0	0	110.3	L826 I847 C848 T851	L826-L853 HydrophobicContact CD1-CB 3.8Å; L826-L853 WeakPolarHBondContact CD1-O 3.29Å; I847-L853 WeakPolarHBondContact CA-O 3.32Å; C848-L853 PolarHBondContact N-O 3.49Å; T851-L853 PolarHBondContact O-N 2.93Å; T851-L853 PolarHBondContact OG1-N 3.44Å
854	K	92.3	Very high	93.1	Very high	105 Å²	105	57.4 Å²	57.4	46%	0.457	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.3	169.2	-165.8	-164.9	-169.2	-152.6	0	109.3	E845 G846 I847	E845-K854 WeakPolarHBondContact OE1-CE 3.39Å; E845-K854 IonicContact OE1-NZ 2.77Å; E845-K854 PolarHBondContact OE1-NZ 3.31Å; G846-K854 VanDerWaalsContact O-CA 3.25Å; G846-K854 WeakPolarHBondContact O-CA 3.37Å; G846-K854 WeakPolarHBondContact O-CG 3.33Å; I847-K854 HydrophobicContact CG1-CB 4.06Å; I847-K854 HydrophobicContact CG1-CG 3.87Å
855	G	93.3	Very high	92.7	Very high	5 Å²	5	55.9 Å²	55.9	5%	0.052	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	-176.9	172.9	0	0	0	0	0	113.7	G824 E845 G846	G824-G855 CarbonylContact O-C 3.44Å; G824-G855 WeakPolarHBondContact O-CA 3.25Å; E845-G855 WeakPolarHBondContact CA-O 3.49Å; G846-G855 PolarHBondContact N-O 3.2Å; G846-G855 PolarHBondContact O-N 2.82Å
856	L	94.3	Very high	92	Very high	47 Å²	47	56.5 Å²	56.5	25%	0.246	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	141.5	179	-69.4	164.3	0	0	0	111.7	G824 D825 L826 K840 W843 W844 E845	G824-L856 PolarHBondContact O-N 2.96Å; D825-L856 CarbonylContact C-O 3.59Å; D825-L856 VanDerWaalsContact CA-O 3.27Å; D825-L856 WeakPolarHBondContact CA-O 3.37Å; L826-L856 PolarHBondContact N-O 2.87Å; K840-L856 HydrophobicContact CD-CD2 4.2Å; W843-L856 HydrophobicContact CE3-CB 4.18Å; W844-L856 CarbonylContact O-C 3.58Å; W844-L856 WeakPolarHBondContact O-CA 3.19Å; E845-L856 HydrophobicContact CB-CD2 3.87Å; E845-L856 HydrophobicContact CG-CD2 4.09Å; E845-L856 HydrophobicContact CG-CG 4.43Å
857	F	94.8	Very high	90.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.1	174.4	59.8	-86.8	0	0	0	111.3	Y818 L826 L828 I834 V836 W843 W844 V862	Y818-F857 HydrophobicContact CD1-CB 4.41Å; L826-F857 HydrophobicContact CB-CD1 4.34Å; L826-F857 HydrophobicContact CD2-CD1 3.89Å; L826-F857 HydrophobicContact CD2-CE1 4.28Å; L828-F857 HydrophobicContact CD1-CB 3.96Å; L828-F857 HydrophobicContact CD1-CD2 3.99Å; L828-F857 HydrophobicContact CD1-CG 4.05Å; L828-F857 HydrophobicContact CG-CB 4.36Å; I834-F857 HydrophobicContact CB-CZ 4.49Å; I834-F857 HydrophobicContact CG2-CD1 4.49Å; I834-F857 HydrophobicContact CG2-CE1 3.66Å; I834-F857 HydrophobicContact CG2-CZ 3.92Å; V836-F857 HydrophobicContact CG2-CZ 4.22Å; W843-F857 WeakPolarHBondContact CA-O 3.47Å; W844-F857 HydrophobicContact CB-CE1 4.19Å; W844-F857 HydrophobicContact CB-CE2 3.86Å; W844-F857 HydrophobicContact CB-CZ 3.66Å; W844-F857 HydrophobicContact CE3-CE2 4.16Å; W844-F857 HydrophobicContact CE3-CZ 4.41Å; W844-F857 PolarHBondContact N-O 2.86Å; W844-F857 VanDerWaalsContact O-CD1 3.25Å; W844-F857 WeakPolarHBondContact O-CD1 3.45Å; W844-F857 WeakPolarHBondContact O-CE1 3.48Å; W844-F857 PolarHBondContact O-N 3.28Å; F857-V862 HydrophobicContact CD2-CG1 3.85Å; F857-V862 HydrophobicContact CD2-CG2 4.49Å; F857-V862 HydrophobicContact CE2-CB 4.38Å; F857-V862 HydrophobicContact CE2-CG1 3.63Å; F857-V862 HydrophobicContact CE2-CG2 3.82Å
858	P	94.1	Very high	89.6	Confident	11 Å²	11	66.8 Å²	66.8	7%	0.071	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	131.6	-180	-20.1	33.4	0	0	0	112.9	Y818 W843 N860 Y861	Y818-P858 HydrophobicContact CD2-CG 3.96Å; Y818-P858 HydrophobicContact CE2-CG 3.63Å; W843-P858 HydrophobicContact CE3-CG 4.4Å; W843-P858 HydrophobicContact CH2-CG 4.16Å; W843-P858 HydrophobicContact CZ2-CG 4.33Å; W843-P858 HydrophobicContact CZ3-CG 4.18Å; P858-N860 WeakPolarHBondContact CB-OD1 3.25Å; P858-N860 PolarHBondContact O-N 3.14Å; P858-Y861 HydrophobicContact CB-CD2 3.8Å; P858-Y861 HydrophobicContact CB-CE2 4.38Å; P858-Y861 HydrophobicContact CB-CG 4.48Å; P858-Y861 HydrophobicContact CG-CD2 4.21Å; P858-Y861 PolarHBondContact O-N 3.4Å; P858-Y861 VanDerWaalsContact O-N 3.09Å
859	A	93.2	Very high	88.6	Confident	15 Å²	15	70 Å²	70	12%	0.124	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-59.5	-32.3	-178.9	0	0	0	0	0	113.2	D842 W844 Y861 V862	D842-A859 VanDerWaalsContact O-CB 3.29Å; D842-A859 WeakPolarHBondContact O-CB 3.42Å; D842-A859 PolarHBondContact O-N 3.33Å; W844-A859 HydrophobicContact CD2-CB 3.86Å; W844-A859 VanDerWaalsContact CE2-CB 3.42Å; W844-A859 HydrophobicContact CE3-CB 4.5Å; W844-A859 HydrophobicContact CG-CB 4.18Å; W844-A859 HydrophobicContact CH2-CB 4.38Å; W844-A859 HydrophobicContact CZ2-CB 3.73Å; A859-Y861 VanDerWaalsContact C-N 3.27Å; A859-Y861 PolarHBondContact O-N 2.89Å; A859-V862 VanDerWaalsContact O-CG2 3.28Å; A859-V862 WeakPolarHBondContact O-CG2 3.44Å; A859-V862 PolarHBondContact O-N 3.14Å
860	N	93.3	Very high	87.5	Confident	113 Å²	113	68.9 Å²	68.9	60%	0.604	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-75.6	-7.4	179	63.8	-35.4	0	0	0	114.4	P858	P858-N860 WeakPolarHBondContact CB-OD1 3.25Å; P858-N860 PolarHBondContact O-N 3.14Å
861	Y	93.4	Very high	86.3	Confident	79 Å²	79	71.3 Å²	71.3	31%	0.31	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-89.7	-6.5	175.2	-81.4	-119.2	0	0	0	112.9	L815 Y816 P817 Y818 P858 A859	L815-Y861 PolarHBondContact N-O 2.65Å; Y816-Y861 PolarHBondContact N-O 2.69Å; P817-Y861 WeakPolarHBondContact O-CD1 3.44Å; P817-Y861 VanDerWaalsContact O-CE1 3.28Å; P817-Y861 WeakPolarHBondContact O-CE1 3.48Å; Y818-Y861 HydrophobicContact CD2-CD1 4.27Å; Y818-Y861 HydrophobicContact CD2-CE1 4.15Å; Y818-Y861 HydrophobicContact CG-CD1 4.48Å; P858-Y861 HydrophobicContact CB-CD2 3.8Å; P858-Y861 HydrophobicContact CB-CE2 4.38Å; P858-Y861 HydrophobicContact CB-CG 4.48Å; P858-Y861 HydrophobicContact CG-CD2 4.21Å; P858-Y861 PolarHBondContact O-N 3.4Å; P858-Y861 VanDerWaalsContact O-N 3.09Å; A859-Y861 VanDerWaalsContact C-N 3.27Å; A859-Y861 PolarHBondContact O-N 2.89Å
862	V	94.8	Very high	85.1	Confident	14 Å²	14	72.9 Å²	72.9	9%	0.085	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	159.8	-175.8	-60.9	0	0	0	0	113.3	C812 I813 L828 I834 W844 F857 A859	C812-V862 HydrophobicContact CB-CB 4.11Å; C812-V862 HydrophobicContact CB-CG2 4.16Å; I813-V862 CarbonylContact O-C 3.5Å; I813-V862 VanDerWaalsContact O-CA 3.28Å; I813-V862 WeakPolarHBondContact O-CA 3.3Å; L828-V862 HydrophobicContact CD1-CG1 3.9Å; I834-V862 HydrophobicContact CD1-CG1 4.07Å; W844-V862 HydrophobicContact CE3-CG2 3.8Å; W844-V862 HydrophobicContact CH2-CG2 4.47Å; W844-V862 HydrophobicContact CZ3-CG2 3.55Å; F857-V862 HydrophobicContact CD2-CG1 3.85Å; F857-V862 HydrophobicContact CD2-CG2 4.49Å; F857-V862 HydrophobicContact CE2-CB 4.38Å; F857-V862 HydrophobicContact CE2-CG1 3.63Å; F857-V862 HydrophobicContact CE2-CG2 3.82Å; A859-V862 VanDerWaalsContact O-CG2 3.28Å; A859-V862 WeakPolarHBondContact O-CG2 3.44Å; A859-V862 PolarHBondContact O-N 3.14Å
863	R	94	Very high	83.7	Confident	104 Å²	104	70 Å²	70	39%	0.392	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.2	168.4	-174.9	178.8	70.5	92.5	-1.9	109.7	C812 I813 L815 L865 E869	C812-R863 CarbonylContact C-O 3.6Å; C812-R863 WeakPolarHBondContact CA-O 3.45Å; C812-R863 VanDerWaalsContact CB-O 3.28Å; C812-R863 WeakPolarHBondContact CB-O 3.45Å; I813-R863 HydrophobicContact CG2-CB 4.12Å; I813-R863 PolarHBondContact N-O 2.92Å; I813-R863 PolarHBondContact O-N 3.36Å; L815-R863 HydrophobicContact CD1-CB 4.08Å; L815-R863 HydrophobicContact CD2-CB 3.91Å; L815-R863 HydrophobicContact CG-CB 3.99Å; R863-L865 PolarHBondContact O-N 3.07Å; R863-E869 IonicContact CZ-OE1 3.1Å; R863-E869 IonicContact NH1-OE1 2.69Å; R863-E869 PolarHBondContact NH1-OE1 3.22Å; R863-E869 IonicContact NH1-OE2 2.82Å; R863-E869 IonicContact NH2-OE1 2.73Å; R863-E869 PolarHBondContact NH2-OE1 3.47Å
864	K	92.7	Very high	82.1	Confident	116 Å²	116	67.8 Å²	67.8	50%	0.504	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	131.1	171.4	178.4	164.8	-178.6	163.1	0	110.4	F810	F810-K864 HydrophobicContact CD1-CD 4.05Å; F810-K864 HydrophobicContact CD2-CB 4.27Å; F810-K864 HydrophobicContact CD2-CD 3.69Å; F810-K864 HydrophobicContact CD2-CG 3.62Å; F810-K864 HydrophobicContact CE1-CD 4.09Å; F810-K864 HydrophobicContact CE2-CB 4.13Å; F810-K864 HydrophobicContact CE2-CD 3.76Å; F810-K864 HydrophobicContact CE2-CG 3.89Å; F810-K864 HydrophobicContact CG-CD 3.84Å; F810-K864 VanDerWaalsContact CG-CE 3.41Å; F810-K864 HydrophobicContact CG-CG 4.11Å; F810-K864 HydrophobicContact CZ-CD 3.96Å
865	L	87.6	Confident	80.2	Confident	10 Å²	10	69.7 Å²	69.7	5%	0.052	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-81.1	150.1	173.1	-83.8	73.5	0	0	0	110.4	S811 C812 I813 L833 R863 E869 M873	S811-L865 PolarHBondContact O-N 2.87Å; C812-L865 VanDerWaalsContact C-CD1 3.46Å; I813-L865 HydrophobicContact CB-CD1 3.76Å; I813-L865 HydrophobicContact CG2-CD1 3.68Å; L833-L865 HydrophobicContact CD1-CD1 4.22Å; L833-L865 HydrophobicContact CD1-CD2 3.93Å; R863-L865 PolarHBondContact O-N 3.07Å; L865-E869 HydrophobicContact CB-CB 4.21Å; L865-E869 HydrophobicContact CD2-CB 3.96Å; L865-E869 HydrophobicContact CG-CB 4.05Å; L865-M873 HydrophobicContact CD2-SD 3.95Å
866	S	79.4	Confident	78.3	Confident	48 Å²	48	77.8 Å²	77.8	34%	0.336	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-72	161.5	159.6	61.2	0	0	0	0	111.8	E868 E869 T870	S866-E868 PolarHBondContact O-N 3.31Å; S866-E869 WeakPolarHBondContact CB-OE2 3.2Å; S866-E869 PolarHBondContact N-OE2 3.27Å; S866-E869 PolarHBondContact O-N 3.39Å; S866-E869 WeakPolarHBondContact OG-CB 3.48Å; S866-E869 VanDerWaalsContact OG-CG 3.27Å; S866-E869 WeakPolarHBondContact OG-CG 3.45Å; S866-E869 PolarHBondContact OG-N 2.86Å; S866-E869 PolarHBondContact OG-OE2 3.4Å; S866-T870 PolarHBondContact O-N 2.98Å; S866-T870 VanDerWaalsContact O-N 3.08Å; S866-T870 PolarHBondContact O-OG1 3.46Å
867	S	69.5	Low	76	Confident	102 Å²	102	80.5 Å²	80.5	71%	0.713	40%	0.395	S	S	*	.	H	α-helix	trans	-61.9	-22.5	174.6	-47.6	0	0	0	0	113.3
868	E	68.9	Low	73.3	Confident	161 Å²	161	87.6 Å²	87.6	75%	0.752	43%	0.433	S	S	*	.	H	α-helix	trans	-79.7	-51.5	176.6	-62.7	179.4	166.3	0	0	111	S866 T870 R871 S872	S866-E868 PolarHBondContact O-N 3.31Å; E868-T870 PolarHBondContact O-N 2.88Å; E868-R871 PolarHBondContact O-N 3.48Å; E868-S872 PolarHBondContact O-N 2.94Å
869	E	72.3	Confident	70.8	Confident	67 Å²	67	93.9 Å²	93.9	31%	0.313	47%	0.465	S	S	.	.	H	α-helix	trans	-57.5	-35.7	175.9	-72.7	167.2	108.5	0	0	112.6	R863 L865 S866 S872 M873	R863-E869 IonicContact CZ-OE1 3.1Å; R863-E869 IonicContact NH1-OE1 2.69Å; R863-E869 PolarHBondContact NH1-OE1 3.22Å; R863-E869 IonicContact NH1-OE2 2.82Å; R863-E869 IonicContact NH2-OE1 2.73Å; R863-E869 PolarHBondContact NH2-OE1 3.47Å; L865-E869 HydrophobicContact CB-CB 4.21Å; L865-E869 HydrophobicContact CD2-CB 3.96Å; L865-E869 HydrophobicContact CG-CB 4.05Å; S866-E869 WeakPolarHBondContact CB-OE2 3.2Å; S866-E869 PolarHBondContact N-OE2 3.27Å; S866-E869 PolarHBondContact O-N 3.39Å; S866-E869 WeakPolarHBondContact OG-CB 3.48Å; S866-E869 VanDerWaalsContact OG-CG 3.27Å; S866-E869 WeakPolarHBondContact OG-CG 3.45Å; S866-E869 PolarHBondContact OG-N 2.86Å; S866-E869 PolarHBondContact OG-OE2 3.4Å; E869-S872 PolarHBondContact O-N 2.83Å; E869-M873 PolarHBondContact O-N 3.46Å
870	T	66.9	Low	67.9	Low	19 Å²	19	98.1 Å²	98.1	12%	0.117	49%	0.493	C	S	.	.	H	α-helix	trans	-61	-48.2	-178.9	-56.1	0	0	0	0	110.8	S866 E868 S872 M873 E874	S866-T870 PolarHBondContact O-N 2.98Å; S866-T870 VanDerWaalsContact O-N 3.08Å; S866-T870 PolarHBondContact O-OG1 3.46Å; E868-T870 PolarHBondContact O-N 2.88Å; T870-S872 PolarHBondContact O-N 3.2Å; T870-M873 PolarHBondContact O-N 2.72Å; T870-E874 WeakPolarHBondContact O-CG 3.32Å; T870-E874 PolarHBondContact O-N 3.28Å
871	R	66.5	Low	64.8	Low	189 Å²	189	96.3 Å²	96.3	71%	0.713	50%	0.502	S	S	*	.	H	α-helix	trans	-61.8	-44.2	179.4	-71.4	-178.9	173.1	-171.9	-2.5	112.4	E868 M873 E874 E875	E868-R871 PolarHBondContact O-N 3.48Å; R871-M873 PolarHBondContact O-N 2.81Å; R871-E874 PolarHBondContact O-N 2.97Å; R871-E875 WeakPolarHBondContact O-CB 3.2Å; R871-E875 PolarHBondContact O-N 2.8Å
872	S	64.2	Low	61.8	Low	80 Å²	80	97.8 Å²	97.8	56%	0.559	52%	0.523	S	S	*	.	H	α-helix	trans	-70.7	-12.5	179.7	-59.2	0	0	0	0	114.5	E868 E869 T870	E868-S872 PolarHBondContact O-N 2.94Å; E869-S872 PolarHBondContact O-N 2.83Å; T870-S872 PolarHBondContact O-N 3.2Å
873	M	61.4	Low	58.9	Low	74 Å²	74	102.9 Å²	102.9	37%	0.365	56%	0.555	S	S	.	*	H	α-helix	trans	-93	-36.8	169.5	-76	-167.4	161.9	0	0	112.6	I813 L865 E869 T870 R871 K876	I813-M873 HydrophobicContact CD1-CE 3.89Å; I813-M873 HydrophobicContact CD1-SD 4.27Å; L865-M873 HydrophobicContact CD2-SD 3.95Å; E869-M873 PolarHBondContact O-N 3.46Å; T870-M873 PolarHBondContact O-N 2.72Å; R871-M873 PolarHBondContact O-N 2.81Å; M873-K876 PolarHBondContact O-N 2.7Å
874	E	57.1	Low	56	Low	65 Å²	65	104.5 Å²	104.5	30%	0.304	57%	0.571	S	S	.	*	H	α-helix	trans	-62.5	-47.5	174	-69.8	174.9	140.5	0	0	111.1	R835 T870 R871 K876 L877	R835-E874 IonicContact CZ-OE1 2.94Å; R835-E874 IonicContact NH1-OE1 3.83Å; R835-E874 PolarHBondContact NH1-OE1 2.74Å; R835-E874 IonicContact NH2-OE1 3.71Å; R835-E874 PolarHBondContact NH2-OE1 2.78Å; T870-E874 WeakPolarHBondContact O-CG 3.32Å; T870-E874 PolarHBondContact O-N 3.28Å; R871-E874 PolarHBondContact O-N 2.97Å; E874-K876 PolarHBondContact O-N 2.71Å; E874-L877 PolarHBondContact O-N 3.23Å; E874-L877 VanDerWaalsContact O-N 3.07Å
875	E	53.6	Low	53.1	Low	145 Å²	145	106.1 Å²	106.1	68%	0.678	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-13.4	177.7	-169.1	170.5	-140.2	0	0	113.9	R871	R871-E875 WeakPolarHBondContact O-CB 3.2Å; R871-E875 PolarHBondContact O-N 2.8Å
876	K	52.2	Low	50.5	Low	174 Å²	174	114.2 Å²	114.2	76%	0.757	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-7.6	179.3	-152.4	-172.9	175.9	-171.1	0	114.1	M873 E874	M873-K876 PolarHBondContact O-N 2.7Å; E874-K876 PolarHBondContact O-N 2.71Å
877	L	46.7	Very low	48.3	Very low	105 Å²	105	119.8 Å²	119.8	55%	0.55	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.8	-21.4	-175.7	-72.7	169.2	0	0	0	114.1	E849 E874 I879	E849-L877 HydrophobicContact CG-CD1 4.46Å; E874-L877 PolarHBondContact O-N 3.23Å; E874-L877 VanDerWaalsContact O-N 3.07Å; L877-I879 VanDerWaalsContact C-N 3.28Å; L877-I879 PolarHBondContact O-N 3.36Å
878	D	37.6	Very low	46.8	Very low	149 Å²	149	121.8 Å²	121.8	80%	0.797	65%	0.648	S	S	*	*	S	Bend	trans	-81.5	1.2	179.6	-71.9	-35.4	0	0	0	114.3
879	I	40.6	Very low	45.3	Very low	143 Å²	143	121.6 Å²	121.6	73%	0.733	65%	0.647	S	S	*	*	S	Bend	trans	-117.2	49.5	-174.7	-39.4	-177.7	0	0	0	112.4	L877	L877-I879 VanDerWaalsContact C-N 3.28Å; L877-I879 PolarHBondContact O-N 3.36Å
880	S	34.1	Very low	43.5	Very low	103 Å²	103	124 Å²	124	72%	0.72	66%	0.662	S	S	*	*			trans	-149.1	12.6	168.8	67.6	0	0	0	0	115.8	S882	S880-S882 PolarHBondContact O-N 3.46Å; S880-S882 VanDerWaalsContact O-N 3.14Å
881	G	27.2	Very low	41.9	Very low	76 Å²	76	129.1 Å²	129.1	78%	0.784	69%	0.689	S	S	*	*			trans	-82.5	80.2	-177.1	0	0	0	0	0	114.7
882	S	30.8	Very low	40.2	Very low	109 Å²	109	126 Å²	126	76%	0.762	69%	0.691	S	S	*	*			trans	-163.3	151.5	165.2	-88.1	0	0	0	0	115.5	S880	S880-S882 PolarHBondContact O-N 3.46Å; S880-S882 VanDerWaalsContact O-N 3.14Å
883	T	34.2	Very low	38.9	Very low	122 Å²	122	130 Å²	130	75%	0.748	70%	0.704	S	S	*	*			trans	69.9	93.8	167	52.5	0	0	0	0	120.7
884	N	32.5	Very low	37.5	Very low	138 Å²	138	133.7 Å²	133.7	74%	0.738	73%	0.726	S	S	*	*				66.2	122.9	124.7	-57.5	-6.5	0	0	0	122.9
885	N	31	Very low	37.1	Very low	150 Å²	150	136 Å²	136	80%	0.802	75%	0.746	S	S	*	*				32.5	136.9	126.1	-49.1	-8.3	0	0	0	118.9
886	Q	33.7	Very low	36.2	Very low	180 Å²	180	134.5 Å²	134.5	84%	0.841	75%	0.749	S	S	*	*			cis	-163.7	174.4	46	-169.1	162.6	-25.2	0	0	112.4
887	M	33.9	Very low	35.4	Very low	164 Å²	164	130.9 Å²	130.9	81%	0.808	75%	0.746	S	S	*	*			trans	-53.1	158.9	171.5	-67.3	133.4	168	0	0	113
888	D	37.1	Very low	34.7	Very low	145 Å²	145	133.9 Å²	133.9	78%	0.775	76%	0.761	S	S	*	*				-164.3	-171.8	60.5	-128.6	-47.4	0	0	0	117.5
889	H	38.5	Very low	34.6	Very low	157 Å²	157	132.8 Å²	132.8	73%	0.727	77%	0.765	S	S	*	*			trans	-84.2	154.9	-156.1	-91.8	-81.7	0	0	0	121.3
890	N	33.9	Very low	34	Very low	117 Å²	117	135 Å²	135	63%	0.626	77%	0.77	S	S	*	*			trans	87.3	125.8	131.1	-79.3	25.4	0	0	0	127.1
891	D	33.4	Very low	34.1	Very low	126 Å²	126	138 Å²	138	67%	0.674	78%	0.776	S	S	*	*				86.9	106	119.7	-65.5	-6.3	0	0	0	126.2
892	T	31	Very low	34.4	Very low	123 Å²	123	140.3 Å²	140.3	76%	0.755	78%	0.775	S	S	*	*				87.8	150.8	119.6	-47.5	0	0	0	0	121.8
893	I	37.6	Very low	34.6	Very low	164 Å²	164	140.8 Å²	140.8	84%	0.841	78%	0.775	S	S	*	*			trans	108.2	142.1	163.2	-53.9	-175.3	0	0	0	116.6
894	N	31.7	Very low	34.5	Very low	153 Å²	153	143.1 Å²	143.1	82%	0.818	78%	0.781	S	S	*	*			trans	-91.4	164.5	-161.8	-93.1	-48.2	0	0	0	116.2
895	P	47.3	Very low	34.7	Very low	112 Å²	112	141 Å²	141	73%	0.727	78%	0.777	S	S	*	*			trans	-85.1	175.8	177.6	37.8	-38.5	0	0	0	113.7
896	P	36.4	Very low	34.8	Very low	115 Å²	115	138.8 Å²	138.8	75%	0.747	77%	0.774	S	S	*	*				-157.9	162.7	108.1	40.8	-22.2	0	0	0	119.7
897	S	34.2	Very low	35.2	Very low	98 Å²	98	135.8 Å²	135.8	69%	0.685	77%	0.77	S	S	*	*			trans	65.6	126.6	136.3	67.3	0	0	0	0	126.2
898	L	31.4	Very low	35.3	Very low	168 Å²	168	136.7 Å²	136.7	88%	0.88	77%	0.769	S	S	*	*			trans	63	125.2	131	-77.1	162.6	0	0	0	123.8
899	S	36.1	Very low	35.1	Very low	126 Å²	126	136.1 Å²	136.1	88%	0.881	77%	0.765	S	S	*	*			trans	-166.5	176.3	131.2	53.8	0	0	0	0	112.1
900	K	29.3	Very low	34.9	Very low	190 Å²	190	134.5 Å²	134.5	83%	0.826	76%	0.76	S	S	*	*			trans	-152.9	135.2	-158.1	-169.6	-175.4	-170.4	-179.7	0	112.4
901	I	35	Very low	34.8	Very low	166 Å²	166	136.9 Å²	136.9	85%	0.851	77%	0.767	S	S	*	*			trans	-139.4	155.7	174.9	-60.2	-176.2	0	0	0	110.9
902	T	32.7	Very low	34.9	Very low	124 Å²	124	134.4 Å²	134.4	76%	0.761	76%	0.764	S	S	*	*			trans	-139.4	168.1	-168.3	25.7	0	0	0	0	113.5
903	P	35.5	Very low	35.1	Very low	119 Å²	119	135.5 Å²	135.5	77%	0.773	77%	0.765	S	S	*	*			trans	-115	-177.6	-151.8	43.8	-37.8	0	0	0	118.1
904	I	33.2	Very low	34.8	Very low	170 Å²	170	134 Å²	134	87%	0.872	76%	0.758	S	S	*	*			trans	-149.9	156	179	-59.7	176.4	0	0	0	109.6
905	S	35.5	Very low	35.2	Very low	93 Å²	93	133.2 Å²	133.2	65%	0.65	75%	0.754	S	S	*	*			cis	-176.6	120.2	-42.5	-170.7	0	0	0	0	113.2
906	S	33.3	Very low	34.5	Very low	104 Å²	104	134.6 Å²	134.6	73%	0.727	76%	0.755	S	S	*	*			trans	69.3	-179.6	143.3	-49.5	0	0	0	0	120.6
907	P	41.5	Very low	34.2	Very low	117 Å²	117	134.9 Å²	134.9	76%	0.76	76%	0.759	S	S	*	*				-141.8	-157.6	-72.9	44.9	-27.2	0	0	0	115.6
908	K	36.3	Very low	33.9	Very low	184 Å²	184	138.9 Å²	138.9	80%	0.8	77%	0.769	S	S	*	*			trans	90.8	148.4	171.9	-66.8	-166.3	160.3	-172.1	0	116.4
909	L	33.4	Very low	33.9	Very low	132 Å²	132	135.3 Å²	135.3	69%	0.691	76%	0.763	S	S	*	*			cis	-170	-179.8	-3.3	-112.6	-177.1	0	0	0	108.8
910	M	35	Very low	33.8	Very low	123 Å²	123	134.4 Å²	134.4	61%	0.606	76%	0.757	S	S	*	*			cis	-164	143.6	-5.9	-167.1	149.3	172.5	0	0	110.2
911	E	30.7	Very low	34	Very low	167 Å²	167	132.3 Å²	132.3	78%	0.78	75%	0.754	S	S	*	*			trans	51.5	159.6	148	-74	175.1	-168.8	0	0	123.9
912	A	36.1	Very low	33.7	Very low	74 Å²	74	131.8 Å²	131.8	61%	0.612	75%	0.753	S	S	*	*			cis	-164.8	162.3	-13.6	0	0	0	0	0	113.1
913	N	35.3	Very low	33.7	Very low	146 Å²	146	132 Å²	132	78%	0.781	76%	0.759	S	S	*	*			trans	50.5	160	145.6	-74.2	-9.6	0	0	0	123.5
914	L	31.8	Very low	33.5	Very low	133 Å²	133	131.8 Å²	131.8	70%	0.696	76%	0.76	S	S	*	*			cis	-171.5	171	-40.2	-146.2	71.5	0	0	0	109.1
915	N	38.4	Very low	33.5	Very low	137 Å²	137	128.7 Å²	128.7	73%	0.733	75%	0.754	S	S	*	*			trans	76.3	131.3	167.9	-50.2	-43.4	0	0	0	117
916	N	33.3	Very low	33.1	Very low	140 Å²	140	131.3 Å²	131.3	75%	0.749	76%	0.76	S	S	*	*			cis	100.4	105.9	19	-175.7	31.4	0	0	0	115.3
917	C	30.5	Very low	33.1	Very low	122 Å²	122	133.3 Å²	133.3	82%	0.824	77%	0.768	S	S	*	*				-165.3	154.8	129	-139.7	0	0	0	0	112.4
918	M	26.9	Very low	32.5	Very low	181 Å²	181	132.6 Å²	132.6	89%	0.892	77%	0.767	S	S	*	*			trans	-103.4	155.5	166.6	-53.7	-177.6	-161	0	0	110.5
919	A	32.4	Very low	32.3	Very low	93 Å²	93	128.7 Å²	128.7	77%	0.769	76%	0.762	S	S	*	*			trans	-167.5	144.3	139.3	0	0	0	0	0	112.5
920	S	34.8	Very low	32.3	Very low	107 Å²	107	128.1 Å²	128.1	75%	0.748	76%	0.764	S	S	*	*			trans	41.4	112.7	149.6	-56.7	0	0	0	0	120.1
921	L	31.9	Very low	32	Very low	147 Å²	147	127.8 Å²	127.8	77%	0.77	77%	0.774	S	S	*	*			cis	107.7	115.2	47.8	-87.7	166.5	0	0	0	111.9
922	L	29.7	Very low	32.2	Very low	155 Å²	155	125.2 Å²	125.2	81%	0.812	78%	0.775	S	S	*	*			trans	50.5	108.4	147.4	-58.1	173	0	0	0	120.5
923	S	32.5	Very low	32	Very low	129 Å²	129	127.9 Å²	127.9	90%	0.902	79%	0.789	S	S	*	*			trans	-158.6	154.3	131.9	-85.7	0	0	0	0	111.7
924	S	31.4	Very low	31.8	Very low	114 Å²	114	124.5 Å²	124.5	80%	0.797	79%	0.789	S	S	*	*			trans	-87.3	160.5	-151.6	-53.7	0	0	0	0	117.6
925	S	31.8	Very low	31.9	Very low	105 Å²	105	123 Å²	123	73%	0.734	79%	0.785	S	S	*	*			trans	92.9	130.8	140.5	76	0	0	0	0	121.4
926	N	28.4	Very low	31.8	Very low	147 Å²	147	123.3 Å²	123.3	79%	0.786	79%	0.785	S	S	*	*			trans	50.6	108.8	151.3	-59.3	-8	0	0	0	119.8
927	T	32.3	Very low	32.2	Very low	146 Å²	146	121.7 Å²	121.7	90%	0.896	78%	0.78	S	S	*	*				-169.8	173.2	96.8	21.7	0	0	0	0	112.8
928	S	29.3	Very low	32.4	Very low	103 Å²	103	119.1 Å²	119.1	72%	0.72	76%	0.762	S	S	*	*			trans	-79.4	162.2	-171.6	51.4	0	0	0	0	116.3
929	S	31.7	Very low	33.8	Very low	102 Å²	102	117.3 Å²	117.3	71%	0.713	76%	0.762	S	S	*	*			trans	103	141.6	141.3	77	0	0	0	0	121
930	T	33.4	Very low	34.9	Very low	119 Å²	119	120.4 Å²	120.4	73%	0.73	76%	0.76	S	S	*	*			trans	60.4	75.3	155.7	47.5	0	0	0	0	120.7
931	S	30.5	Very low	36.6	Very low	117 Å²	117	119 Å²	119	82%	0.818	75%	0.749	S	S	*	*				23.5	112.9	121.1	60.4	0	0	0	0	119.9
932	S	33.5	Very low	39	Very low	113 Å²	113	115 Å²	115	79%	0.79	73%	0.726	S	S	*	*			trans	-151.5	145.8	147.5	58.6	0	0	0	0	110.4
933	S	31.3	Very low	41.9	Very low	130 Å²	130	113 Å²	113	91%	0.909	71%	0.711	S	S	*	*			trans	47	125.7	168.5	-60.2	0	0	0	0	119.7
934	G	31.6	Very low	44.5	Very low	75 Å²	75	108.1 Å²	108.1	77%	0.773	68%	0.679	S	S	*	*			trans	-172	117.6	169.7	0	0	0	0	0	115.2
935	V	33.4	Very low	47.3	Very low	101 Å²	101	112 Å²	112	61%	0.612	68%	0.676	S	S	*	*			trans	-61.4	136.8	161.2	173.5	0	0	0	0	108.6	V937	V935-V937 HydrophobicContact CG1-CG2 4.34Å; V935-V937 PolarHBondContact O-N 3.18Å
936	I	36.5	Very low	50	Low	143 Å²	143	107.7 Å²	107.7	73%	0.733	65%	0.645	S	S	*	*			trans	-69	101	171	-56.6	177.3	0	0	0	108.4
937	V	41.8	Very low	52.9	Low	106 Å²	106	108.3 Å²	108.3	64%	0.642	65%	0.647	S	S	*	*			trans	-98.1	112.7	165.5	178.9	0	0	0	0	106.7	V935 T939	V935-V937 HydrophobicContact CG1-CG2 4.34Å; V935-V937 PolarHBondContact O-N 3.18Å; V937-T939 PolarHBondContact O-N 2.73Å
938	C	36.1	Very low	55.5	Low	68 Å²	68	104 Å²	104	46%	0.459	63%	0.626	S	S	.	*			trans	-66.6	119.9	174.7	-67.5	0	0	0	0	109.4	Q940	C938-Q940 WeakPolarHBondContact CB-O 3.36Å; C938-Q940 PolarHBondContact O-N 3.2Å
939	T	55.3	Low	58.5	Low	144 Å²	144	103.4 Å²	103.4	88%	0.883	62%	0.62	S	S	*	*	S	Bend	trans	-80.7	-3	178.7	47.9	0	0	0	0	113.4	V937	V937-T939 PolarHBondContact O-N 2.73Å
940	Q	56.5	Low	61.3	Low	158 Å²	158	102.1 Å²	102.1	74%	0.738	60%	0.6	S	S	*	*	S	Bend	trans	-113.2	145.1	161.3	-69.4	-173.4	-9	0	0	109.5	C938 E942	C938-Q940 WeakPolarHBondContact CB-O 3.36Å; C938-Q940 PolarHBondContact O-N 3.2Å; Q940-E942 PolarHBondContact O-N 3.26Å
941	P	70.4	Confident	64.1	Low	77 Å²	77	104.6 Å²	104.6	50%	0.5	60%	0.6	S	S	.	*			trans	-69.5	111.1	175.7	29.7	-34.2	0	0	0	110.1	F943 Q967	P941-F943 HydrophobicContact CB-CE2 3.8Å; P941-F943 HydrophobicContact CB-CZ 3.88Å; P941-F943 HydrophobicContact CG-CE2 3.92Å; P941-F943 HydrophobicContact CG-CZ 4.25Å; P941-F943 VanDerWaalsContact O-CD2 3.31Å; P941-F943 WeakPolarHBondContact O-CD2 3.35Å; P941-F943 WeakPolarHBondContact O-CE2 2.93Å; P941-Q967 HydrophobicContact CB-CG 4.28Å
942	E	82.4	Confident	66.9	Low	62 Å²	62	100.5 Å²	100.5	29%	0.29	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.4	134.8	174.9	-176.6	176.1	-137.9	0	0	109.8	Q940 Q967 L968 R971	Q940-E942 PolarHBondContact O-N 3.26Å; E942-Q967 CarbonylContact O-C 3.52Å; E942-Q967 WeakPolarHBondContact O-CA 3.38Å; E942-L968 HydrophobicContact CB-CB 4.31Å; E942-L968 HydrophobicContact CG-CB 4.43Å; E942-L968 HydrophobicContact CG-CD1 4.19Å; E942-L968 PolarHBondContact O-N 3.37Å; E942-R971 IonicContact OE1-CZ 3.19Å; E942-R971 IonicContact OE1-NE 2.66Å; E942-R971 PolarHBondContact OE1-NE 3.43Å; E942-R971 IonicContact OE1-NH2 3.56Å; E942-R971 PolarHBondContact OE1-NH2 2.66Å; E942-R971 IonicContact OE2-CZ 2.69Å; E942-R971 IonicContact OE2-NE 3.22Å; E942-R971 PolarHBondContact OE2-NE 2.73Å; E942-R971 IonicContact OE2-NH2 2.67Å; E942-R971 PolarHBondContact OE2-NH2 2.78Å
943	F	88.8	Confident	69.4	Low	113 Å²	113	101.1 Å²	101.1	50%	0.496	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.4	130.2	-178.7	-62.5	-84.1	0	0	0	111.3	P941 V965 Q967 Q982	P941-F943 HydrophobicContact CB-CE2 3.8Å; P941-F943 HydrophobicContact CB-CZ 3.88Å; P941-F943 HydrophobicContact CG-CE2 3.92Å; P941-F943 HydrophobicContact CG-CZ 4.25Å; P941-F943 VanDerWaalsContact O-CD2 3.31Å; P941-F943 WeakPolarHBondContact O-CD2 3.35Å; P941-F943 WeakPolarHBondContact O-CE2 2.93Å; F943-V965 HydrophobicContact CB-CG1 4.01Å; F943-V965 HydrophobicContact CD1-CG1 3.88Å; F943-V965 HydrophobicContact CG-CG1 4.35Å; F943-Q967 HydrophobicContact CD1-CB 3.88Å; F943-Q967 HydrophobicContact CD1-CG 4.2Å; F943-Q967 HydrophobicContact CE1-CB 3.78Å; F943-Q967 HydrophobicContact CE1-CG 3.88Å; F943-Q967 HydrophobicContact CZ-CG 4.4Å; F943-Q982 HydrophobicContact CD1-CG 4.4Å; F943-Q982 HydrophobicContact CE1-CG 4.09Å
944	A	87.3	Confident	71.9	Confident	28 Å²	28	98 Å²	98	23%	0.231	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.2	142.6	173.6	0	0	0	0	0	110.7	V965 V966 L968	A944-V965 CarbonylContact O-C 3.6Å; A944-V965 WeakPolarHBondContact O-CA 3.49Å; A944-V966 PolarHBondContact N-O 2.75Å; A944-V966 PolarHBondContact O-N 3.06Å; A944-L968 HydrophobicContact CB-CD1 4.06Å; A944-L968 HydrophobicContact CB-CD2 4.09Å; A944-L968 HydrophobicContact CB-CG 4.03Å
945	R	90.8	Very high	74.2	Confident	194 Å²	194	100 Å²	100	73%	0.732	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.6	130.1	172.5	-158.4	-169.5	-46.2	-120.6	2.3	109.1	I947	R945-I947 PolarHBondContact O-N 3.49Å
946	V	88.6	Confident	76.7	Confident	15 Å²	15	99 Å²	99	9%	0.091	57%	0.57	C	S	.	*			trans	-69.9	126.5	176.4	179.3	0	0	0	0	109.2	A948 L960 Q961 P962 G963 Q964 V966	V946-A948 WeakPolarHBondContact CG1-O 3.47Å; V946-L960 HydrophobicContact CG1-CB 3.85Å; V946-L960 HydrophobicContact CG2-CB 4Å; V946-L960 HydrophobicContact CG2-CD1 4.3Å; V946-L960 HydrophobicContact CG2-CD2 4.09Å; V946-L960 HydrophobicContact CG2-CG 4.36Å; V946-Q961 VanDerWaalsContact CB-O 3.3Å; V946-Q961 WeakPolarHBondContact CB-O 3.35Å; V946-Q961 VanDerWaalsContact CG1-O 3.25Å; V946-Q961 WeakPolarHBondContact CG1-O 3.47Å; V946-P962 WeakPolarHBondContact O-CA 3.14Å; V946-G963 PolarHBondContact O-N 3.48Å; V946-Q964 HydrophobicContact CB-CB 4.42Å; V946-Q964 HydrophobicContact CG2-CB 4.08Å; V946-Q964 WeakPolarHBondContact CG2-O 3.39Å; V946-Q964 PolarHBondContact N-O 2.69Å; V946-V966 HydrophobicContact CG2-CG2 3.95Å
947	I	89.8	Confident	79.2	Confident	160 Å²	160	94.4 Å²	94.4	82%	0.821	55%	0.546	S	S	*	.			trans	-105	-17	179.1	61.3	172.7	0	0	0	113.9	R945	R945-I947 PolarHBondContact O-N 3.49Å
948	A	87.2	Confident	81.4	Confident	57 Å²	57	92.5 Å²	92.5	47%	0.471	53%	0.532	S	S	.	.	S	Bend	trans	-142.3	146.1	-177.6	0	0	0	0	0	110.6	V946	V946-A948 WeakPolarHBondContact CG1-O 3.47Å
949	P	92.1	Very high	84	Confident	89 Å²	89	92.4 Å²	92.4	58%	0.578	53%	0.529	S	S	*	.			trans	-70.8	140.3	179.2	29.8	-34.3	0	0	0	111.3	L960	P949-L960 WeakPolarHBondContact CA-O 3.37Å
950	Y	91	Very high	85.7	Confident	75 Å²	75	87.4 Å²	87.4	29%	0.294	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-140.5	133	173.9	175.6	-100.9	0	0	0	110.6	Q957 L958 T959 L960	Y950-Q957 HydrophobicContact CE1-CB 4.29Å; Y950-Q957 PolarHBondContact OH-NE2 3.12Å; Y950-Q957 PolarHBondContact OH-OE1 3.42Å; Y950-L958 WeakPolarHBondContact CD1-O 3.24Å; Y950-T959 CarbonylContact O-C 3.46Å; Y950-T959 WeakPolarHBondContact O-CA 3.29Å; Y950-L960 PolarHBondContact N-O 3.16Å; Y950-L960 PolarHBondContact O-N 3.49Å
951	K	91.7	Very high	87.2	Confident	171 Å²	171	84.6 Å²	84.6	74%	0.743	48%	0.484	S	S	*	.			trans	-106.9	125.6	178.9	-169.8	174.8	-176.8	176.9	0	109.7	T953	K951-T953 PolarHBondContact O-N 2.87Å
952	A	88.4	Confident	88.2	Confident	32 Å²	32	84.4 Å²	84.4	26%	0.264	48%	0.482	S	S	.	.			trans	-62.1	130.6	-179.6	0	0	0	0	0	111.8	Q957 T959	A952-Q957 HydrophobicContact CB-CB 3.83Å; A952-Q957 WeakPolarHBondContact CB-O 3.45Å; A952-T959 WeakPolarHBondContact CB-OG1 3.34Å; A952-T959 PolarHBondContact N-OG1 3.1Å
953	T	87.4	Confident	88.3	Confident	126 Å²	126	83.9 Å²	83.9	77%	0.773	49%	0.494	S	S	*	.	S	Bend	trans	-97.4	-14.4	175.9	-47.9	0	0	0	0	111.8	K951	K951-T953 PolarHBondContact O-N 2.87Å
954	S	82.3	Confident	88.4	Confident	65 Å²	65	81.9 Å²	81.9	46%	0.455	49%	0.486	S	S	.	.	S	Bend	trans	-146.7	160.7	-179.4	64.7	0	0	0	0	111.5	G956 Q957	S954-G956 PolarHBondContact O-N 3.34Å; S954-G956 VanDerWaalsContact O-N 3.12Å; S954-Q957 PolarHBondContact O-N 2.9Å; S954-Q957 VanDerWaalsContact O-N 3.11Å; S954-Q957 PolarHBondContact OG-OE1 3.01Å
955	A	81.6	Confident	88.6	Confident	116 Å²	116	82.1 Å²	82.1	96%	0.959	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.9	-176	0	0	0	0	0	115	Q957	A955-Q957 VanDerWaalsContact C-N 3.34Å
956	G	84.5	Confident	88.5	Confident	80 Å²	80	73.6 Å²	73.6	83%	0.825	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	9.7	174.5	0	0	0	0	0	114.4	S954	S954-G956 PolarHBondContact O-N 3.34Å; S954-G956 VanDerWaalsContact O-N 3.12Å
957	Q	89.5	Confident	88.6	Confident	47 Å²	47	75.1 Å²	75.1	22%	0.22	46%	0.46	C	S	.	.	S	Bend	trans	-120.6	136.3	-177.2	-70.1	164.6	-32.7	0	0	110.3	Y950 A952 S954 A955 W976	Y950-Q957 HydrophobicContact CE1-CB 4.29Å; Y950-Q957 PolarHBondContact OH-NE2 3.12Å; Y950-Q957 PolarHBondContact OH-OE1 3.42Å; A952-Q957 HydrophobicContact CB-CB 3.83Å; A952-Q957 WeakPolarHBondContact CB-O 3.45Å; S954-Q957 PolarHBondContact O-N 2.9Å; S954-Q957 VanDerWaalsContact O-N 3.11Å; S954-Q957 PolarHBondContact OG-OE1 3.01Å; A955-Q957 VanDerWaalsContact C-N 3.34Å; Q957-W976 HydrophobicContact CG-CZ3 3.95Å
958	L	87.5	Confident	88.6	Confident	65 Å²	65	68.2 Å²	68.2	34%	0.34	43%	0.425	S	S	.	.			trans	-75.7	143.1	169.2	-66.9	174.5	0	0	0	110.2	Y950 L960 V966 G979 L981	Y950-L958 WeakPolarHBondContact CD1-O 3.24Å; L958-L960 HydrophobicContact CB-CD2 3.67Å; L958-L960 HydrophobicContact CB-CG 4.24Å; L958-L960 HydrophobicContact CD1-CD2 4.24Å; L958-V966 HydrophobicContact CD1-CG1 4.16Å; L958-G979 WeakPolarHBondContact CD1-O 3.41Å; L958-L981 HydrophobicContact CD1-CB 4.13Å; L958-L981 HydrophobicContact CD2-CB 4.2Å
959	T	91.3	Very high	88.4	Confident	67 Å²	67	72 Å²	72	41%	0.411	43%	0.427	S	S	.	.			trans	-86.4	129.1	160.5	-68.3	0	0	0	0	107.7	Y950 A952	Y950-T959 CarbonylContact O-C 3.46Å; Y950-T959 WeakPolarHBondContact O-CA 3.29Å; A952-T959 WeakPolarHBondContact CB-OG1 3.34Å; A952-T959 PolarHBondContact N-OG1 3.1Å
960	L	90.9	Very high	88	Confident	38 Å²	38	72.6 Å²	72.6	20%	0.199	42%	0.42	C	S	.	.	B	Isolated β-bridge	trans	-123.9	140.1	-170	-55.3	177.8	0	0	0	110.1	V946 P949 Y950 L958 V966 L981	V946-L960 HydrophobicContact CG1-CB 3.85Å; V946-L960 HydrophobicContact CG2-CB 4Å; V946-L960 HydrophobicContact CG2-CD1 4.3Å; V946-L960 HydrophobicContact CG2-CD2 4.09Å; V946-L960 HydrophobicContact CG2-CG 4.36Å; P949-L960 WeakPolarHBondContact CA-O 3.37Å; Y950-L960 PolarHBondContact N-O 3.16Å; Y950-L960 PolarHBondContact O-N 3.49Å; L958-L960 HydrophobicContact CB-CD2 3.67Å; L958-L960 HydrophobicContact CB-CG 4.24Å; L958-L960 HydrophobicContact CD1-CD2 4.24Å; L960-V966 HydrophobicContact CD2-CG2 3.72Å; L960-L981 HydrophobicContact CD2-CD1 3.93Å
961	Q	88.7	Confident	87.7	Confident	100 Å²	100	75 Å²	75	47%	0.467	43%	0.429	S	S	.	.			trans	-124.2	145.5	172.3	-65.1	-64.8	-10.9	0	0	110.1	V946 G963 Q964	V946-Q961 VanDerWaalsContact CB-O 3.3Å; V946-Q961 WeakPolarHBondContact CB-O 3.35Å; V946-Q961 VanDerWaalsContact CG1-O 3.25Å; V946-Q961 WeakPolarHBondContact CG1-O 3.47Å; Q961-G963 PolarHBondContact O-N 3.49Å; Q961-Q964 HydrophobicContact CB-CG 4.26Å; Q961-Q964 WeakPolarHBondContact O-CB 3.5Å; Q961-Q964 WeakPolarHBondContact O-CG 3.48Å; Q961-Q964 PolarHBondContact O-N 2.72Å
962	P	89.9	Confident	87	Confident	72 Å²	72	69.1 Å²	69.1	47%	0.468	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	140.3	177.4	-27.7	35.7	0	0	0	112.9	V946 Q964	V946-P962 WeakPolarHBondContact O-CA 3.14Å; P962-Q964 VanDerWaalsContact C-N 3.3Å; P962-Q964 PolarHBondContact O-N 3.06Å
963	G	85.7	Confident	86.4	Confident	52 Å²	52	74.2 Å²	74.2	54%	0.536	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-20.2	-177.7	0	0	0	0	0	115.3	V946 Q961	V946-G963 PolarHBondContact O-N 3.48Å; Q961-G963 PolarHBondContact O-N 3.49Å
964	Q	91.4	Very high	85.8	Confident	70 Å²	70	77 Å²	77	33%	0.327	44%	0.441	S	S	.	.			trans	-63.3	153.8	174.7	-67.8	-177.6	-37.9	0	0	111.9	V946 Q961 P962 L981	V946-Q964 HydrophobicContact CB-CB 4.42Å; V946-Q964 HydrophobicContact CG2-CB 4.08Å; V946-Q964 WeakPolarHBondContact CG2-O 3.39Å; V946-Q964 PolarHBondContact N-O 2.69Å; Q961-Q964 HydrophobicContact CB-CG 4.26Å; Q961-Q964 WeakPolarHBondContact O-CB 3.5Å; Q961-Q964 WeakPolarHBondContact O-CG 3.48Å; Q961-Q964 PolarHBondContact O-N 2.72Å; P962-Q964 VanDerWaalsContact C-N 3.3Å; P962-Q964 PolarHBondContact O-N 3.06Å; Q964-L981 HydrophobicContact CB-CD1 3.91Å; Q964-L981 HydrophobicContact CG-CD1 4.48Å
965	V	90.4	Very high	85.8	Confident	34 Å²	34	76.8 Å²	76.8	21%	0.206	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135	177.4	-179.5	0	0	0	0	109.8	F943 A944 Q982 F984	F943-V965 HydrophobicContact CB-CG1 4.01Å; F943-V965 HydrophobicContact CD1-CG1 3.88Å; F943-V965 HydrophobicContact CG-CG1 4.35Å; A944-V965 CarbonylContact O-C 3.6Å; A944-V965 WeakPolarHBondContact O-CA 3.49Å; V965-Q982 HydrophobicContact CB-CB 4.37Å; V965-Q982 HydrophobicContact CG1-CB 4.46Å; V965-Q982 PolarHBondContact O-N 3.04Å; V965-F984 HydrophobicContact CB-CE2 4.04Å; V965-F984 HydrophobicContact CG2-CE2 4.01Å
966	V	89.6	Confident	85.9	Confident	14 Å²	14	78.7 Å²	78.7	9%	0.085	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.3	175.1	-179.8	0	0	0	0	108.3	A944 V946 L958 L960 L968 E980 L981	A944-V966 PolarHBondContact N-O 2.75Å; A944-V966 PolarHBondContact O-N 3.06Å; V946-V966 HydrophobicContact CG2-CG2 3.95Å; L958-V966 HydrophobicContact CD1-CG1 4.16Å; L960-V966 HydrophobicContact CD2-CG2 3.72Å; V966-L968 HydrophobicContact CG1-CD2 4.28Å; V966-L968 PolarHBondContact O-N 3.38Å; V966-E980 CarbonylContact C-O 3.55Å; V966-E980 WeakPolarHBondContact CA-O 3.47Å; V966-L981 HydrophobicContact CG2-CD1 3.87Å
967	Q	90.2	Very high	86.1	Confident	48 Å²	48	81.2 Å²	81.2	22%	0.224	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	115.9	168.6	-175.3	179.8	-18.5	0	0	108.6	P941 E942 F943 G979 E980 Q982	P941-Q967 HydrophobicContact CB-CG 4.28Å; E942-Q967 CarbonylContact O-C 3.52Å; E942-Q967 WeakPolarHBondContact O-CA 3.38Å; F943-Q967 HydrophobicContact CD1-CB 3.88Å; F943-Q967 HydrophobicContact CD1-CG 4.2Å; F943-Q967 HydrophobicContact CE1-CB 3.78Å; F943-Q967 HydrophobicContact CE1-CG 3.88Å; F943-Q967 HydrophobicContact CZ-CG 4.4Å; Q967-G979 CarbonylContact O-C 3.56Å; Q967-G979 WeakPolarHBondContact O-CA 3.49Å; Q967-E980 PolarHBondContact N-O 3.43Å; Q967-E980 PolarHBondContact O-N 3.08Å; Q967-Q982 HydrophobicContact CB-CG 4.14Å
968	L	88.6	Confident	86.1	Confident	14 Å²	14	83.9 Å²	83.9	7%	0.073	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.8	177.7	-59.4	-175.1	0	0	0	109.8	E942 A944 V966 W977	E942-L968 HydrophobicContact CB-CB 4.31Å; E942-L968 HydrophobicContact CG-CB 4.43Å; E942-L968 HydrophobicContact CG-CD1 4.19Å; E942-L968 PolarHBondContact O-N 3.37Å; A944-L968 HydrophobicContact CB-CD1 4.06Å; A944-L968 HydrophobicContact CB-CD2 4.09Å; A944-L968 HydrophobicContact CB-CG 4.03Å; V966-L968 HydrophobicContact CG1-CD2 4.28Å; V966-L968 PolarHBondContact O-N 3.38Å; L968-W977 HydrophobicContact CD1-CE3 3.84Å; L968-W977 HydrophobicContact CD1-CZ3 4.15Å; L968-W977 HydrophobicContact CD2-CB 4.26Å; L968-W977 HydrophobicContact CD2-CE3 3.89Å
969	R	83.8	Confident	86.1	Confident	138 Å²	138	81.8 Å²	81.8	52%	0.521	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-36	174.6	-67.4	-179.1	172.1	-149	1.3	111.5	E978 E980	R969-E978 PolarHBondContact N-O 2.98Å; R969-E980 IonicContact CZ-OE2 2.72Å; R969-E980 IonicContact NE-OE2 3.2Å; R969-E980 PolarHBondContact NE-OE2 3.36Å; R969-E980 IonicContact NH2-OE1 2.62Å; R969-E980 IonicContact NH2-OE2 3.37Å; R969-E980 PolarHBondContact NH2-OE2 3.4Å
970	K	83.7	Confident	86	Confident	100 Å²	100	82.6 Å²	82.6	44%	0.435	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	123.9	-176.2	-168.6	-176.6	-177.8	179.7	0	112	E978	K970-E978 HydrophobicContact CB-CB 3.85Å; K970-E978 WeakPolarHBondContact CD-OE2 3.46Å; K970-E978 PolarHBondContact N-O 3.44Å; K970-E978 VanDerWaalsContact N-O 3.08Å; K970-E978 PolarHBondContact O-N 3.19Å
971	R	84.9	Confident	85.9	Confident	125 Å²	125	82.8 Å²	82.8	47%	0.472	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.5	174	-66.6	168.1	172.4	-101.3	15.9	109.9	E942 W977	E942-R971 IonicContact OE1-CZ 3.19Å; E942-R971 IonicContact OE1-NE 2.66Å; E942-R971 PolarHBondContact OE1-NE 3.43Å; E942-R971 IonicContact OE1-NH2 3.56Å; E942-R971 PolarHBondContact OE1-NH2 2.66Å; E942-R971 IonicContact OE2-CZ 2.69Å; E942-R971 IonicContact OE2-NE 3.22Å; E942-R971 PolarHBondContact OE2-NE 2.73Å; E942-R971 IonicContact OE2-NH2 2.67Å; E942-R971 PolarHBondContact OE2-NH2 2.78Å; R971-W977 HydrophobicContact CG-CD2 4.37Å; R971-W977 HydrophobicContact CG-CG 4.3Å
972	S	77.7	Confident	85.8	Confident	49 Å²	49	81 Å²	81	34%	0.343	42%	0.416	S	S	.	.			trans	-85.9	140.3	167.4	-167.8	0	0	0	0	110.6	K974 G975 W976	S972-K974 PolarHBondContact O-N 3.03Å; S972-K974 PolarHBondContact OG-N 3.32Å; S972-G975 PolarHBondContact O-N 3.09Å; S972-W976 WeakPolarHBondContact CB-O 3.39Å; S972-W976 PolarHBondContact N-O 3.16Å
973	P	74.6	Confident	84.8	Confident	139 Å²	139	82.8 Å²	82.8	90%	0.903	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.8	169.9	27.9	-35.1	0	0	0	112.8	G975	P973-G975 PolarHBondContact O-N 3.49Å
974	K	75.5	Confident	83.4	Confident	183 Å²	183	88.1 Å²	88.1	80%	0.796	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	24.3	174.6	-59.6	-168	177.4	-171.2	0	113.8	S972 W976	S972-K974 PolarHBondContact O-N 3.03Å; S972-K974 PolarHBondContact OG-N 3.32Å; K974-W976 PolarHBondContact O-N 3.01Å
975	G	82.4	Confident	81	Confident	61 Å²	61	89.5 Å²	89.5	63%	0.629	45%	0.451	S	S	*	.	S	Bend	trans	74.9	-17.6	176.6	0	0	0	0	0	116.9	S972 P973	S972-G975 PolarHBondContact O-N 3.09Å; P973-G975 PolarHBondContact O-N 3.49Å
976	W	84	Confident	78.3	Confident	156 Å²	156	91.9 Å²	91.9	59%	0.591	48%	0.482	S	S	*	.			trans	-88.2	125.7	176.8	-71.8	86.5	0	0	0	111.7	Q957 S972 K974	Q957-W976 HydrophobicContact CG-CZ3 3.95Å; S972-W976 WeakPolarHBondContact CB-O 3.39Å; S972-W976 PolarHBondContact N-O 3.16Å; K974-W976 PolarHBondContact O-N 3.01Å
977	W	89	Confident	75.5	Confident	134 Å²	134	96.2 Å²	96.2	51%	0.508	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.6	178.2	-56.6	-15.6	0	0	0	111.1	L968 R971	L968-W977 HydrophobicContact CD1-CE3 3.84Å; L968-W977 HydrophobicContact CD1-CZ3 4.15Å; L968-W977 HydrophobicContact CD2-CB 4.26Å; L968-W977 HydrophobicContact CD2-CE3 3.89Å; R971-W977 HydrophobicContact CG-CD2 4.37Å; R971-W977 HydrophobicContact CG-CG 4.3Å
978	E	87.7	Confident	72.8	Confident	102 Å²	102	101 Å²	101	48%	0.477	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	129.1	171.4	-162.8	-171.7	141.1	0	0	108.3	R969 K970	R969-E978 PolarHBondContact N-O 2.98Å; K970-E978 HydrophobicContact CB-CB 3.85Å; K970-E978 WeakPolarHBondContact CD-OE2 3.46Å; K970-E978 PolarHBondContact N-O 3.44Å; K970-E978 VanDerWaalsContact N-O 3.08Å; K970-E978 PolarHBondContact O-N 3.19Å
979	G	89.1	Confident	70.2	Confident	22 Å²	22	107.5 Å²	107.5	23%	0.227	57%	0.574	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-167.5	177.5	-179	0	0	0	0	0	112	L958 Q967	L958-G979 WeakPolarHBondContact CD1-O 3.41Å; Q967-G979 CarbonylContact O-C 3.56Å; Q967-G979 WeakPolarHBondContact O-CA 3.49Å
980	E	89.4	Confident	67.7	Low	83 Å²	83	108.1 Å²	108.1	39%	0.388	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.7	130.9	-174	-176.9	166.5	-147.6	0	0	110.2	V966 Q967 R969 Q982	V966-E980 CarbonylContact C-O 3.55Å; V966-E980 WeakPolarHBondContact CA-O 3.47Å; Q967-E980 PolarHBondContact N-O 3.43Å; Q967-E980 PolarHBondContact O-N 3.08Å; R969-E980 IonicContact CZ-OE2 2.72Å; R969-E980 IonicContact NE-OE2 3.2Å; R969-E980 PolarHBondContact NE-OE2 3.36Å; R969-E980 IonicContact NH2-OE1 2.62Å; R969-E980 IonicContact NH2-OE2 3.37Å; R969-E980 PolarHBondContact NH2-OE2 3.4Å; E980-Q982 PolarHBondContact O-N 2.76Å
981	L	88.8	Confident	65.4	Low	43 Å²	43	111 Å²	111	23%	0.225	61%	0.607	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.5	115.1	-178.2	-169.3	67.7	0	0	0	109.7	L958 L960 Q964 V966 V983	L958-L981 HydrophobicContact CD1-CB 4.13Å; L958-L981 HydrophobicContact CD2-CB 4.2Å; L960-L981 HydrophobicContact CD2-CD1 3.93Å; Q964-L981 HydrophobicContact CB-CD1 3.91Å; Q964-L981 HydrophobicContact CG-CD1 4.48Å; V966-L981 HydrophobicContact CG2-CD1 3.87Å; L981-V983 PolarHBondContact O-N 3Å
982	Q	84.9	Confident	63.3	Low	63 Å²	63	112.2 Å²	112.2	29%	0.294	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.4	104.3	-178.2	-75.5	-66.1	-9.8	0	0	110.5	F943 V965 Q967 E980 F984	F943-Q982 HydrophobicContact CD1-CG 4.4Å; F943-Q982 HydrophobicContact CE1-CG 4.09Å; V965-Q982 HydrophobicContact CB-CB 4.37Å; V965-Q982 HydrophobicContact CG1-CB 4.46Å; V965-Q982 PolarHBondContact O-N 3.04Å; Q967-Q982 HydrophobicContact CB-CG 4.14Å; E980-Q982 PolarHBondContact O-N 2.76Å; Q982-F984 HydrophobicContact CB-CE2 4.25Å; Q982-F984 PolarHBondContact O-N 2.88Å
983	V	70.3	Confident	61.5	Low	109 Å²	109	117.1 Å²	117.1	66%	0.661	64%	0.644	S	S	*	*			trans	-83.4	96.5	174.3	-177.3	0	0	0	0	108.5	L981 S985	L981-V983 PolarHBondContact O-N 3Å; V983-S985 VanDerWaalsContact C-N 3.28Å; V983-S985 PolarHBondContact O-N 3.09Å
984	F	56	Low	59.9	Low	163 Å²	163	116.9 Å²	116.9	72%	0.715	64%	0.635	S	S	*	*			trans	-69.4	85.8	170.5	-71.9	-77.9	0	0	0	110.3	V965 Q982 G986	V965-F984 HydrophobicContact CB-CE2 4.04Å; V965-F984 HydrophobicContact CG2-CE2 4.01Å; Q982-F984 HydrophobicContact CB-CE2 4.25Å; Q982-F984 PolarHBondContact O-N 2.88Å; F984-G986 PolarHBondContact O-N 3.01Å; F984-G986 VanDerWaalsContact O-N 3.13Å
985	S	41	Very low	58.2	Low	100 Å²	100	116.6 Å²	116.6	70%	0.699	64%	0.636	S	S	*	*			trans	-59.9	110.9	172.3	-62.6	0	0	0	0	109.9	V983 S987	V983-S985 VanDerWaalsContact C-N 3.28Å; V983-S985 PolarHBondContact O-N 3.09Å; S985-S987 PolarHBondContact O-N 3.06Å
986	G	32.2	Very low	56.1	Low	84 Å²	84	125.4 Å²	125.4	87%	0.866	67%	0.669	S	S	*	*			trans	-66.2	117.2	-170.1	0	0	0	0	0	113.6	F984	F984-G986 PolarHBondContact O-N 3.01Å; F984-G986 VanDerWaalsContact O-N 3.13Å
987	S	32.3	Very low	54.7	Low	104 Å²	104	123.9 Å²	123.9	73%	0.727	67%	0.673	S	S	*	*			trans	-155.2	58.5	170.3	65.2	0	0	0	0	112.9	S985	S985-S987 PolarHBondContact O-N 3.06Å
988	N	32.3	Very low	52.8	Low	150 Å²	150	123.3 Å²	123.3	80%	0.802	68%	0.682	S	S	*	*	S	Bend	trans	-165.2	120.6	152	-98.9	-36.9	0	0	0	111.1
989	L	33.9	Very low	50.9	Low	150 Å²	150	124.5 Å²	124.5	79%	0.785	69%	0.693	S	S	*	*			trans	34	109.2	160.4	-58	115.3	0	0	0	117.6
990	N	32.7	Very low	48.7	Very low	151 Å²	151	130.5 Å²	130.5	81%	0.807	72%	0.721	S	S	*	*				52.7	130.8	55	-68.6	-5.7	0	0	0	115
991	L	34.9	Very low	46.1	Very low	161 Å²	161	133.5 Å²	133.5	84%	0.843	74%	0.741	S	S	*	*			trans	78.1	125.6	-163.8	-81.3	64.8	0	0	0	113.1
992	I	41.3	Very low	43.3	Very low	149 Å²	149	139.5 Å²	139.5	76%	0.764	78%	0.776	S	S	*	*			cis	-125.6	132.7	5.5	-66.6	93.5	0	0	0	110.5
993	D	39.4	Very low	40.3	Very low	152 Å²	152	145 Å²	145	81%	0.813	81%	0.81	S	S	*	*			trans	-111.2	130.1	153.2	-78.6	-52.3	0	0	0	107.9
994	N	41.1	Very low	38	Very low	135 Å²	135	147.8 Å²	147.8	72%	0.722	82%	0.822	S	S	*	*			trans	156.7	128.5	130.4	-83	-16	0	0	0	113.8
995	E	39	Very low	36.5	Very low	176 Å²	176	146.5 Å²	146.5	82%	0.822	83%	0.831	S	S	*	*			trans	67.4	134.6	144.6	-60.3	176.6	145.2	0	0	120.3
996	D	38	Very low	36.1	Very low	246 Å²	246	150.7 Å²	150.7	100%	1.316	84%	0.843	S	S	*	*			trans	57.8	0	176.8	-63.7	-13.5	0	0	0	120.3

Retrieved 996 of 996 residues in 199.3 ms (Link to these results)

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