A0A5K4EUF5_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB (A0A3Q0KRA8), UniProt , Accession A0A5K4EUF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,167 aa.

						>A0A5K4EUF5_SCHMA|A0A5K4EUF5
MEHEEYARELAAHYKISPQLPYHSIIEELKNVLDSKRLDLQKLYKLKAGVQKLRDAAGKSVSAVIPSSNDFMTGPNSAGPKEGYTLDRKSSRVTTSAVIKSINSDVQDLAEDIRDLETSLLLLKHCQPSFDQQSAVIKSTNRGDSIEQRLTELQKALDIELQVRSGAERLIQTYKSGPRHFLEEARKQYENANNKIGFIRNQMIRVKQMNEGFYQPDTSPLGSRSENISDTAKPNGSINSASSVSSNQEGFLIWKDKVMELAHRLRVERALFVGSKKAVSAVLDNQIHVDKSRKLQALQEARESLHRLYLFQESIKPLLKRPPPTHFPDMISSIVDDPEMAVLLSSPWSNTTAFHGNSSLLIPSPPTAITGSLEVRCLGCQDIVDHFPAEIVNNELSGTSTTRIYSVPSVMTSRTSENHWVDVRCSLLIDHKRVWDSPWRQPNQQCWDSKTTFNIDRGKELEVQVYWKRMFLPSSSTSASGSSALSKSGLSEDSGSGLEWVLAAVNYVRLEELLGGESRSVMLPMLPMGKVFLVLKFSDPLLSKPRCGLHRQKRLFSKRKGNNIPRINELDMNIPLWTRLLKSGQLSKMNRSVIGGSWTLNHSKEFGSSGSVMMHGLEGRFQQLNTSLSGSPVSDQAFNGKSHLNTSKYRESPSAFPTRSVNITDTIIQQRPLVTIIREPDALREKNITLTEKEIKTLRKKSLLTDDINDYSSTSPQHAAATGIGSSFSPDYDVAPVIIEYDTDSNSRKPPTVPRVSDYASPEDLGTTEMISIGQKDADSRTADYINMDVQRSNSGPVVLSTEKENKNVPTSESPRTAPSEIFSELSSNKSTTILSMIDFRTVAVLGRGHFGKVLLSQYHRDNKYYAIKSLKKAEIIFRNEVDTLLTEKRILQIITDAQHPFLINLIACFQTKEHVMFVMEYAQGGDLMSLIQKNVFKEPQAVFYAGCVVLGIEFLHSKKIVYRDLKLDNLLLDSEGFVKMADFGLCKEGMGPDDRTSTFCGTPEFLAPEVLTDSSYTRAVDWWGLGVLIFEMLVGECPFPGESEEEIFDSIVNKSVCYPNYLSMEAKLIMGRLLRRNAAQRLGSSAQDAEEIKRQPFFRKLDFQALLAQKIKPPFVPVVSGPEDVSNFDEEFTREKAVLTPTKQRPPLLDADQLNFSNFDYYSHLV
					

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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	48.8	Very low	82	Confident	192 Å²	192	88.2 Å²	88.2	95%	0.946	40%	0.404	S	S	*	.				0	-72.5	0	-74.3	-169.4	-74.7	0	0	110.3	H3 E4 E5	M1-H3 PolarHBondContact O-N 2.96Å; M1-H3 VanDerWaalsContact O-N 3.15Å; M1-E4 WeakPolarHBondContact O-CA 3.41Å; M1-E4 WeakPolarHBondContact O-CB 3.37Å; M1-E4 PolarHBondContact O-N 2.93Å; M1-E5 PolarHBondContact O-N 3.15Å
2	E	72.8	Confident	82.6	Confident	159 Å²	159	85.8 Å²	85.8	74%	0.743	41%	0.411	S	S	*	.	H	α-helix	trans	-46.2	-49.7	-175.5	-64.1	178.3	176.7	0	0	115.2	E4 E5 Y6	E2-E4 VanDerWaalsContact C-N 3.29Å; E2-E4 PolarHBondContact O-N 3.32Å; E2-E5 PolarHBondContact O-N 3.46Å; E2-Y6 VanDerWaalsContact O-CB 3.32Å; E2-Y6 WeakPolarHBondContact O-CB 3.29Å; E2-Y6 PolarHBondContact O-N 3.3Å
3	H	76.6	Confident	83.2	Confident	82 Å²	82	89.8 Å²	89.8	38%	0.38	43%	0.428	S	S	.	.	H	α-helix	trans	-63.3	-31.2	177.6	-58.5	-66.1	0	0	0	114.4	M1 A7 L123 C126	M1-H3 PolarHBondContact O-N 2.96Å; M1-H3 VanDerWaalsContact O-N 3.15Å; H3-A7 VanDerWaalsContact O-CB 3.3Å; H3-A7 WeakPolarHBondContact O-CB 3.1Å; H3-A7 PolarHBondContact O-N 3.44Å; H3-L123 HydrophobicContact CB-CD2 4.3Å; H3-L123 WeakPolarHBondContact O-CD2 3.43Å; H3-C126 PolarHBondContact CE1-SG 3.31Å; H3-C126 PolarHBondContact NE2-SG 3.41Å; H3-C126 VanDerWaalsContact NE2-SG 3.36Å
4	E	81.7	Confident	83.9	Confident	74 Å²	74	85.9 Å²	85.9	35%	0.346	41%	0.407	S	S	.	.	H	α-helix	trans	-81.5	-31.9	-178.5	-148.8	-164.3	141.3	0	0	111.2	M1 E2 R8 Y22	M1-E4 WeakPolarHBondContact O-CA 3.41Å; M1-E4 WeakPolarHBondContact O-CB 3.37Å; M1-E4 PolarHBondContact O-N 2.93Å; E2-E4 VanDerWaalsContact C-N 3.29Å; E2-E4 PolarHBondContact O-N 3.32Å; E4-R8 VanDerWaalsContact CD-NH1 3.29Å; E4-R8 WeakPolarHBondContact O-CG 3.45Å; E4-R8 PolarHBondContact O-N 3.12Å; E4-R8 PolarHBondContact O-NH1 2.78Å; E4-R8 IonicContact OE1-CZ 3.57Å; E4-R8 VanDerWaalsContact OE1-CZ 3.24Å; E4-R8 IonicContact OE1-NH1 2.87Å; E4-R8 PolarHBondContact OE1-NH1 2.68Å; E4-R8 IonicContact OE1-NH2 2.9Å; E4-R8 PolarHBondContact OE1-NH2 2.84Å; E4-Y22 HydrophobicContact CB-CD2 4.33Å; E4-Y22 HydrophobicContact CG-CD2 3.68Å; E4-Y22 HydrophobicContact CG-CE2 4.42Å; E4-Y22 HydrophobicContact CG-CG 4.32Å
5	E	83.9	Confident	84.4	Confident	136 Å²	136	93.4 Å²	93.4	64%	0.636	44%	0.438	S	S	*	.	H	α-helix	trans	-69.9	-46.5	170.5	-169.6	164.6	-160.9	0	0	110.5	M1 E2 A7 R8 E9	M1-E5 PolarHBondContact O-N 3.15Å; E2-E5 PolarHBondContact O-N 3.46Å; E5-A7 VanDerWaalsContact C-N 3.35Å; E5-A7 PolarHBondContact O-N 2.99Å; E5-R8 WeakPolarHBondContact O-CB 3.43Å; E5-R8 PolarHBondContact O-N 2.88Å; E5-R8 VanDerWaalsContact O-N 3.07Å; E5-E9 PolarHBondContact O-N 3.38Å
6	Y	87.8	Confident	84.8	Confident	85 Å²	85	88.6 Å²	88.6	33%	0.333	42%	0.416	S	S	.	.	H	α-helix	trans	-59.2	-41.9	172.3	-176.7	-112.2	0	0	0	112.4	E2 R8 E9 L10 S119 L123	E2-Y6 VanDerWaalsContact O-CB 3.32Å; E2-Y6 WeakPolarHBondContact O-CB 3.29Å; E2-Y6 PolarHBondContact O-N 3.3Å; Y6-R8 VanDerWaalsContact C-N 3.3Å; Y6-R8 PolarHBondContact O-N 2.68Å; Y6-E9 PolarHBondContact O-N 2.99Å; Y6-L10 VanDerWaalsContact O-CB 3.24Å; Y6-L10 WeakPolarHBondContact O-CB 3.41Å; Y6-L10 PolarHBondContact O-N 3.42Å; Y6-S119 PolarHBondContact OH-OG 3.36Å; Y6-L123 HydrophobicContact CD1-CD1 4.5Å; Y6-L123 HydrophobicContact CD1-CD2 3.96Å; Y6-L123 HydrophobicContact CD1-CG 4.25Å
7	A	89.5	Confident	85.1	Confident	0 Å²	0	87.1 Å²	87.1	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-61.8	-36.5	174	0	0	0	0	0	112.6	H3 E5 A11 Y22 I25 L123	H3-A7 VanDerWaalsContact O-CB 3.3Å; H3-A7 WeakPolarHBondContact O-CB 3.1Å; H3-A7 PolarHBondContact O-N 3.44Å; E5-A7 VanDerWaalsContact C-N 3.35Å; E5-A7 PolarHBondContact O-N 2.99Å; A7-A11 VanDerWaalsContact O-CB 3.25Å; A7-A11 WeakPolarHBondContact O-CB 3.35Å; A7-A11 PolarHBondContact O-N 2.97Å; A7-Y22 HydrophobicContact CB-CD2 3.82Å; A7-Y22 HydrophobicContact CB-CE2 3.56Å; A7-I25 HydrophobicContact CB-CG2 4.17Å; A7-I25 WeakPolarHBondContact O-CG2 3.42Å; A7-L123 HydrophobicContact CB-CD1 4.03Å; A7-L123 HydrophobicContact CB-CD2 3.86Å
8	R	89.7	Confident	85.1	Confident	92 Å²	92	85.2 Å²	85.2	35%	0.347	41%	0.413	S	S	.	.	H	α-helix	trans	-72.4	-38.1	175.7	-74.3	179.4	-178.5	99.3	1.4	112.8	E4 E5 Y6 A11 A12 P18 I25	E4-R8 VanDerWaalsContact CD-NH1 3.29Å; E4-R8 WeakPolarHBondContact O-CG 3.45Å; E4-R8 PolarHBondContact O-N 3.12Å; E4-R8 PolarHBondContact O-NH1 2.78Å; E4-R8 IonicContact OE1-CZ 3.57Å; E4-R8 VanDerWaalsContact OE1-CZ 3.24Å; E4-R8 IonicContact OE1-NH1 2.87Å; E4-R8 PolarHBondContact OE1-NH1 2.68Å; E4-R8 IonicContact OE1-NH2 2.9Å; E4-R8 PolarHBondContact OE1-NH2 2.84Å; E5-R8 WeakPolarHBondContact O-CB 3.43Å; E5-R8 PolarHBondContact O-N 2.88Å; E5-R8 VanDerWaalsContact O-N 3.07Å; Y6-R8 VanDerWaalsContact C-N 3.3Å; Y6-R8 PolarHBondContact O-N 2.68Å; R8-A11 WeakPolarHBondContact O-CB 3.44Å; R8-A11 PolarHBondContact O-N 3.46Å; R8-A12 WeakPolarHBondContact O-CB 3.3Å; R8-A12 PolarHBondContact O-N 3.49Å; R8-P18 HydrophobicContact CB-CB 3.99Å; R8-P18 WeakPolarHBondContact CD-O 3.29Å; R8-P18 HydrophobicContact CG-CB 4.16Å; R8-P18 WeakPolarHBondContact CG-O 3.17Å; R8-P18 PolarHBondContact NE-O 3.07Å; R8-I25 HydrophobicContact CG-CD1 3.98Å
9	E	88.6	Confident	85.1	Confident	136 Å²	136	89.8 Å²	89.8	64%	0.636	43%	0.434	S	S	*	.	H	α-helix	trans	-63.5	-45.6	173.5	-172.9	177.1	-166.9	0	0	110.7	E5 Y6 A12 H13	E5-E9 PolarHBondContact O-N 3.38Å; Y6-E9 PolarHBondContact O-N 2.99Å; E9-A12 PolarHBondContact O-N 2.83Å; E9-H13 PolarHBondContact O-N 2.85Å
10	L	91.7	Very high	85.2	Confident	14 Å²	14	88.2 Å²	88.2	7%	0.073	43%	0.427	C	S	.	.	H	α-helix	trans	-63.9	-39.8	175	-164.3	72.3	0	0	0	112	Y6 H13 Y14 L29 L116 S119 L123	Y6-L10 VanDerWaalsContact O-CB 3.24Å; Y6-L10 WeakPolarHBondContact O-CB 3.41Å; Y6-L10 PolarHBondContact O-N 3.42Å; L10-H13 WeakPolarHBondContact O-CB 3.49Å; L10-H13 PolarHBondContact O-N 3.39Å; L10-Y14 HydrophobicContact CD1-CD2 4.2Å; L10-Y14 HydrophobicContact CD1-CE2 3.72Å; L10-Y14 HydrophobicContact CG-CD2 4.09Å; L10-Y14 HydrophobicContact CG-CE2 4.06Å; L10-Y14 VanDerWaalsContact O-CD2 3.31Å; L10-Y14 WeakPolarHBondContact O-CD2 3.5Å; L10-Y14 PolarHBondContact O-N 3.08Å; L10-L29 HydrophobicContact CD2-CD1 3.78Å; L10-L29 HydrophobicContact CD2-CD2 3.98Å; L10-L29 HydrophobicContact CG-CD1 4.38Å; L10-L29 HydrophobicContact CG-CD2 3.91Å; L10-L116 HydrophobicContact CD2-CD1 4.4Å; L10-S119 VanDerWaalsContact CD2-CB 3.47Å; L10-L123 HydrophobicContact CD2-CD1 3.85Å
11	A	91.2	Very high	85.3	Confident	0 Å²	0	88 Å²	88	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-58.4	-49.4	172.5	0	0	0	0	0	111	A7 R8 H13 Y14 K15 I16 I25	A7-A11 VanDerWaalsContact O-CB 3.25Å; A7-A11 WeakPolarHBondContact O-CB 3.35Å; A7-A11 PolarHBondContact O-N 2.97Å; R8-A11 WeakPolarHBondContact O-CB 3.44Å; R8-A11 PolarHBondContact O-N 3.46Å; A11-H13 VanDerWaalsContact C-N 3.31Å; A11-H13 PolarHBondContact O-N 3.23Å; A11-Y14 CarbonylContact O-C 3.59Å; A11-Y14 PolarHBondContact O-N 3.09Å; A11-K15 PolarHBondContact O-N 2.56Å; A11-I16 CarbonylContact C-O 3.26Å; A11-I16 HydrophobicContact CB-CB 3.93Å; A11-I16 HydrophobicContact CB-CG2 4.09Å; A11-I16 PolarHBondContact O-N 3.06Å; A11-I25 HydrophobicContact CB-CD1 4.39Å; A11-I25 HydrophobicContact CB-CG1 4.43Å; A11-I25 HydrophobicContact CB-CG2 3.87Å
12	A	88.7	Confident	87.1	Confident	59 Å²	59	81 Å²	81	49%	0.488	40%	0.397	S	S	.	.	H	α-helix	trans	-60.3	-39.9	177.1	0	0	0	0	0	112.2	R8 E9 Y14 K15	R8-A12 WeakPolarHBondContact O-CB 3.3Å; R8-A12 PolarHBondContact O-N 3.49Å; E9-A12 PolarHBondContact O-N 2.83Å; A12-Y14 PolarHBondContact O-N 3.36Å; A12-K15 PolarHBondContact O-N 2.94Å
13	H	91.1	Very high	87.7	Confident	139 Å²	139	78.8 Å²	78.8	64%	0.644	39%	0.386	S	S	*	.	H	α-helix	trans	-59.3	-44.3	175.1	-168.5	87.9	0	0	0	112.2	E9 L10 A11 K15	E9-H13 PolarHBondContact O-N 2.85Å; L10-H13 WeakPolarHBondContact O-CB 3.49Å; L10-H13 PolarHBondContact O-N 3.39Å; A11-H13 VanDerWaalsContact C-N 3.31Å; A11-H13 PolarHBondContact O-N 3.23Å; H13-K15 VanDerWaalsContact C-N 3.31Å; H13-K15 PolarHBondContact O-N 2.8Å
14	Y	92.4	Very high	88.2	Confident	34 Å²	34	76.8 Å²	76.8	13%	0.133	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	14.5	177.5	-67.5	-67.3	0	0	0	114.7	L10 A11 A12 I16 L29 V32 K36 D112 L116	L10-Y14 HydrophobicContact CD1-CD2 4.2Å; L10-Y14 HydrophobicContact CD1-CE2 3.72Å; L10-Y14 HydrophobicContact CG-CD2 4.09Å; L10-Y14 HydrophobicContact CG-CE2 4.06Å; L10-Y14 VanDerWaalsContact O-CD2 3.31Å; L10-Y14 WeakPolarHBondContact O-CD2 3.5Å; L10-Y14 PolarHBondContact O-N 3.08Å; A11-Y14 CarbonylContact O-C 3.59Å; A11-Y14 PolarHBondContact O-N 3.09Å; A12-Y14 PolarHBondContact O-N 3.36Å; Y14-I16 PolarHBondContact O-N 2.94Å; Y14-L29 HydrophobicContact CD2-CD2 3.67Å; Y14-L29 HydrophobicContact CE2-CD2 4.49Å; Y14-L29 HydrophobicContact CG-CD2 4.33Å; Y14-V32 HydrophobicContact CD1-CG1 3.75Å; Y14-V32 HydrophobicContact CE1-CG1 4.42Å; Y14-V32 HydrophobicContact CG-CG1 4.08Å; Y14-K36 VanDerWaalsContact CE1-CE 3.47Å; Y14-D112 WeakPolarHBondContact CE1-OD1 3.47Å; Y14-D112 PolarHBondContact OH-OD1 3.23Å; Y14-L116 HydrophobicContact CD2-CD1 4.12Å; Y14-L116 HydrophobicContact CE1-CD2 4.36Å; Y14-L116 HydrophobicContact CE2-CB 4.35Å; Y14-L116 HydrophobicContact CE2-CD1 3.72Å; Y14-L116 HydrophobicContact CE2-CD2 4.33Å; Y14-L116 HydrophobicContact CE2-CG 4.35Å
15	K	91.5	Very high	88.7	Confident	199 Å²	199	73.3 Å²	73.3	87%	0.865	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	22.8	178.5	-52.2	177.8	-178.3	175.4	0	114.9	A11 A12 H13	A11-K15 PolarHBondContact O-N 2.56Å; A12-K15 PolarHBondContact O-N 2.94Å; H13-K15 VanDerWaalsContact C-N 3.31Å; H13-K15 PolarHBondContact O-N 2.8Å
16	I	91.2	Very high	89	Confident	17 Å²	17	67.9 Å²	67.9	9%	0.087	34%	0.34	C	S	.	.			trans	-83.5	143.2	170.5	-60.5	161.7	0	0	0	108	A11 Y14 P18 L20 E28 L29 V32	A11-I16 CarbonylContact C-O 3.26Å; A11-I16 HydrophobicContact CB-CB 3.93Å; A11-I16 HydrophobicContact CB-CG2 4.09Å; A11-I16 PolarHBondContact O-N 3.06Å; Y14-I16 PolarHBondContact O-N 2.94Å; I16-P18 WeakPolarHBondContact O-CD 3.22Å; I16-L20 HydrophobicContact CG2-CD1 3.87Å; I16-E28 HydrophobicContact CB-CB 4.49Å; I16-E28 HydrophobicContact CD1-CB 3.64Å; I16-E28 HydrophobicContact CG1-CB 3.87Å; I16-E28 HydrophobicContact CG2-CB 3.78Å; I16-E28 HydrophobicContact CG2-CG 4.24Å; I16-L29 HydrophobicContact CD1-CB 4.42Å; I16-L29 HydrophobicContact CD1-CD2 3.69Å; I16-L29 HydrophobicContact CD1-CG 3.75Å; I16-V32 HydrophobicContact CD1-CG2 4.08Å; I16-V32 HydrophobicContact CG1-CG2 4.46Å
17	S	88.6	Confident	89	Confident	63 Å²	63	68 Å²	68	44%	0.441	34%	0.344	S	S	.	.			trans	-66.8	119	-180	-179.2	0	0	0	0	111.4	Q19 L20	S17-Q19 PolarHBondContact O-N 3.26Å; S17-Q19 VanDerWaalsContact O-N 3.14Å; S17-L20 WeakPolarHBondContact O-CB 3.48Å; S17-L20 WeakPolarHBondContact O-CG 3.4Å; S17-L20 PolarHBondContact O-N 2.97Å
18	P	85.6	Confident	89.1	Confident	53 Å²	53	72 Å²	72	34%	0.344	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-2.8	-179.8	31.6	-36.5	0	0	0	113.5	R8 I16 L20	R8-P18 HydrophobicContact CB-CB 3.99Å; R8-P18 WeakPolarHBondContact CD-O 3.29Å; R8-P18 HydrophobicContact CG-CB 4.16Å; R8-P18 WeakPolarHBondContact CG-O 3.17Å; R8-P18 PolarHBondContact NE-O 3.07Å; I16-P18 WeakPolarHBondContact O-CD 3.22Å; P18-L20 VanDerWaalsContact C-N 3.33Å
19	Q	85.1	Confident	89.3	Confident	173 Å²	173	67.7 Å²	67.7	81%	0.808	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.8	172.7	-62.3	-72.4	2.4	0	0	112.7	S17	S17-Q19 PolarHBondContact O-N 3.26Å; S17-Q19 VanDerWaalsContact O-N 3.14Å
20	L	87.2	Confident	89.5	Confident	57 Å²	57	65.4 Å²	65.4	30%	0.298	33%	0.334	S	S	.	.	S	Bend	trans	-66	151.6	179.6	-75.3	170.4	0	0	0	111.5	I16 S17 P18 I25 E28	I16-L20 HydrophobicContact CG2-CD1 3.87Å; S17-L20 WeakPolarHBondContact O-CB 3.48Å; S17-L20 WeakPolarHBondContact O-CG 3.4Å; S17-L20 PolarHBondContact O-N 2.97Å; P18-L20 VanDerWaalsContact C-N 3.33Å; L20-I25 HydrophobicContact CB-CD1 4.46Å; L20-I25 HydrophobicContact CB-CG1 3.75Å; L20-I25 WeakPolarHBondContact O-CD1 3.47Å; L20-E28 HydrophobicContact CD1-CG 4.47Å
21	P	87.1	Confident	89.5	Confident	84 Å²	84	69.2 Å²	69.2	55%	0.545	35%	0.354	S	S	.	.			trans	-54.4	145.7	168.6	-23.5	33.7	0	0	0	111	H23 S24 I25	P21-H23 PolarHBondContact O-N 2.96Å; P21-H23 VanDerWaalsContact O-N 3.11Å; P21-S24 WeakPolarHBondContact O-CB 3.44Å; P21-S24 PolarHBondContact O-N 3.25Å; P21-I25 PolarHBondContact O-N 2.88Å
22	Y	87.3	Confident	89.6	Confident	46 Å²	46	70.7 Å²	70.7	18%	0.18	36%	0.363	C	S	.	.	H	α-helix	trans	-50.1	-42.3	-178.5	179	-95.1	0	0	0	112.6	E4 A7 S24 I25 I26 L123	E4-Y22 HydrophobicContact CB-CD2 4.33Å; E4-Y22 HydrophobicContact CG-CD2 3.68Å; E4-Y22 HydrophobicContact CG-CE2 4.42Å; E4-Y22 HydrophobicContact CG-CG 4.32Å; A7-Y22 HydrophobicContact CB-CD2 3.82Å; A7-Y22 HydrophobicContact CB-CE2 3.56Å; Y22-S24 PolarHBondContact O-N 3.23Å; Y22-I25 WeakPolarHBondContact O-CB 3.37Å; Y22-I25 PolarHBondContact O-N 3.1Å; Y22-I26 HydrophobicContact CD1-CG1 4.18Å; Y22-I26 HydrophobicContact CE1-CD1 4.36Å; Y22-I26 HydrophobicContact CE1-CG1 3.84Å; Y22-I26 HydrophobicContact CE2-CD1 4.43Å; Y22-I26 WeakPolarHBondContact O-CG1 3.15Å; Y22-I26 PolarHBondContact O-N 2.97Å; Y22-L123 HydrophobicContact CE2-CD2 4.18Å; Y22-L123 PolarHBondContact OH-O 2.92Å
23	H	85.5	Confident	89.8	Confident	112 Å²	112	68.4 Å²	68.4	52%	0.519	34%	0.343	S	S	.	.	H	α-helix	trans	-58.7	-47.5	176.3	-169.6	-84.1	0	0	0	112.9	P21 I25 I26 E27	P21-H23 PolarHBondContact O-N 2.96Å; P21-H23 VanDerWaalsContact O-N 3.11Å; H23-I25 VanDerWaalsContact C-N 3.34Å; H23-I25 PolarHBondContact O-N 3.1Å; H23-I26 WeakPolarHBondContact O-CB 3.38Å; H23-I26 PolarHBondContact O-N 3.34Å; H23-I26 VanDerWaalsContact O-N 3.12Å; H23-E27 IonicContact CE1-OE1 2.9Å; H23-E27 PolarHBondContact CE1-OE1 3.23Å; H23-E27 VanDerWaalsContact CE1-OE1 3.29Å; H23-E27 IonicContact CE1-OE2 2.84Å; H23-E27 PolarHBondContact CE1-OE2 3.13Å; H23-E27 VanDerWaalsContact CE1-OE2 3.31Å; H23-E27 IonicContact ND1-OE1 3.97Å; H23-E27 IonicContact ND1-OE2 2.69Å; H23-E27 PolarHBondContact ND1-OE2 3.34Å; H23-E27 PolarHBondContact O-N 2.93Å
24	S	87.6	Confident	89.7	Confident	39 Å²	39	65.9 Å²	65.9	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-66	-35.2	178.9	-51.7	0	0	0	0	112.1	P21 Y22 E27 E28	P21-S24 WeakPolarHBondContact O-CB 3.44Å; P21-S24 PolarHBondContact O-N 3.25Å; Y22-S24 PolarHBondContact O-N 3.23Å; S24-E27 PolarHBondContact O-N 3.49Å; S24-E28 PolarHBondContact O-N 2.83Å
25	I	91.3	Very high	89.7	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-46.9	169.7	-68.7	176.7	0	0	0	110.4	A7 R8 A11 L20 P21 Y22 H23 E27 E28 L29	A7-I25 HydrophobicContact CB-CG2 4.17Å; A7-I25 WeakPolarHBondContact O-CG2 3.42Å; R8-I25 HydrophobicContact CG-CD1 3.98Å; A11-I25 HydrophobicContact CB-CD1 4.39Å; A11-I25 HydrophobicContact CB-CG1 4.43Å; A11-I25 HydrophobicContact CB-CG2 3.87Å; L20-I25 HydrophobicContact CB-CD1 4.46Å; L20-I25 HydrophobicContact CB-CG1 3.75Å; L20-I25 WeakPolarHBondContact O-CD1 3.47Å; P21-I25 PolarHBondContact O-N 2.88Å; Y22-I25 WeakPolarHBondContact O-CB 3.37Å; Y22-I25 PolarHBondContact O-N 3.1Å; H23-I25 VanDerWaalsContact C-N 3.34Å; H23-I25 PolarHBondContact O-N 3.1Å; I25-E27 VanDerWaalsContact C-N 3.31Å; I25-E27 PolarHBondContact O-N 2.66Å; I25-E28 PolarHBondContact O-N 3.2Å; I25-L29 HydrophobicContact CG2-CD1 3.7Å; I25-L29 HydrophobicContact CG2-CG 4.36Å; I25-L29 WeakPolarHBondContact O-CB 3.21Å; I25-L29 WeakPolarHBondContact O-CD1 3.37Å; I25-L29 WeakPolarHBondContact O-CG 3.46Å; I25-L29 PolarHBondContact O-N 3.21Å
26	I	90.8	Very high	89.9	Confident	22 Å²	22	59.6 Å²	59.6	11%	0.113	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-32.5	178.4	-62.4	-59.1	0	0	0	112.2	Y22 H23 L29 K30 L120 L123	Y22-I26 HydrophobicContact CD1-CG1 4.18Å; Y22-I26 HydrophobicContact CE1-CD1 4.36Å; Y22-I26 HydrophobicContact CE1-CG1 3.84Å; Y22-I26 HydrophobicContact CE2-CD1 4.43Å; Y22-I26 WeakPolarHBondContact O-CG1 3.15Å; Y22-I26 PolarHBondContact O-N 2.97Å; H23-I26 WeakPolarHBondContact O-CB 3.38Å; H23-I26 PolarHBondContact O-N 3.34Å; H23-I26 VanDerWaalsContact O-N 3.12Å; I26-L29 HydrophobicContact CD1-CD1 4.37Å; I26-K30 VanDerWaalsContact O-CG 3.29Å; I26-K30 WeakPolarHBondContact O-CG 3.42Å; I26-K30 PolarHBondContact O-N 2.9Å; I26-L120 HydrophobicContact CD1-CD2 4.39Å; I26-L120 HydrophobicContact CG2-CD2 4.15Å; I26-L123 HydrophobicContact CD1-CB 3.62Å; I26-L123 HydrophobicContact CD1-CD1 3.58Å; I26-L123 HydrophobicContact CD1-CG 4.12Å
27	E	88.5	Confident	89.9	Confident	89 Å²	89	63.6 Å²	63.6	42%	0.416	33%	0.33	S	S	.	.	H	α-helix	trans	-70.9	-46.4	174	-73.3	-179	132.5	0	0	112.5	H23 S24 I25 L29 K30 N31	H23-E27 IonicContact CE1-OE1 2.9Å; H23-E27 PolarHBondContact CE1-OE1 3.23Å; H23-E27 VanDerWaalsContact CE1-OE1 3.29Å; H23-E27 IonicContact CE1-OE2 2.84Å; H23-E27 PolarHBondContact CE1-OE2 3.13Å; H23-E27 VanDerWaalsContact CE1-OE2 3.31Å; H23-E27 IonicContact ND1-OE1 3.97Å; H23-E27 IonicContact ND1-OE2 2.69Å; H23-E27 PolarHBondContact ND1-OE2 3.34Å; H23-E27 PolarHBondContact O-N 2.93Å; S24-E27 PolarHBondContact O-N 3.49Å; I25-E27 VanDerWaalsContact C-N 3.31Å; I25-E27 PolarHBondContact O-N 2.66Å; E27-L29 VanDerWaalsContact C-N 3.31Å; E27-L29 PolarHBondContact O-N 3.04Å; E27-K30 WeakPolarHBondContact O-CB 3.28Å; E27-K30 PolarHBondContact O-N 3.44Å; E27-N31 PolarHBondContact O-N 3.4Å
28	E	91.6	Very high	89.9	Confident	84 Å²	84	63.9 Å²	63.9	39%	0.393	33%	0.326	S	S	.	.	H	α-helix	trans	-64.9	-35.4	176.8	-71.2	-64.3	-179.4	0	0	112.6	I16 L20 S24 I25 K30 N31 V32	I16-E28 HydrophobicContact CB-CB 4.49Å; I16-E28 HydrophobicContact CD1-CB 3.64Å; I16-E28 HydrophobicContact CG1-CB 3.87Å; I16-E28 HydrophobicContact CG2-CB 3.78Å; I16-E28 HydrophobicContact CG2-CG 4.24Å; L20-E28 HydrophobicContact CD1-CG 4.47Å; S24-E28 PolarHBondContact O-N 2.83Å; I25-E28 PolarHBondContact O-N 3.2Å; E28-K30 VanDerWaalsContact C-N 3.29Å; E28-K30 PolarHBondContact O-N 2.87Å; E28-N31 WeakPolarHBondContact O-CB 3.4Å; E28-N31 PolarHBondContact O-N 2.82Å; E28-N31 VanDerWaalsContact O-N 3.16Å; E28-N31 PolarHBondContact OE2-ND2 3.28Å; E28-V32 WeakPolarHBondContact O-CG2 3.44Å; E28-V32 PolarHBondContact O-N 2.92Å
29	L	93.5	Very high	90.1	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-33.6	172.2	-73.4	166.2	0	0	0	112.3	L10 Y14 I16 I25 I26 E27 L33 L116 L120 L123	L10-L29 HydrophobicContact CD2-CD1 3.78Å; L10-L29 HydrophobicContact CD2-CD2 3.98Å; L10-L29 HydrophobicContact CG-CD1 4.38Å; L10-L29 HydrophobicContact CG-CD2 3.91Å; Y14-L29 HydrophobicContact CD2-CD2 3.67Å; Y14-L29 HydrophobicContact CE2-CD2 4.49Å; Y14-L29 HydrophobicContact CG-CD2 4.33Å; I16-L29 HydrophobicContact CD1-CB 4.42Å; I16-L29 HydrophobicContact CD1-CD2 3.69Å; I16-L29 HydrophobicContact CD1-CG 3.75Å; I25-L29 HydrophobicContact CG2-CD1 3.7Å; I25-L29 HydrophobicContact CG2-CG 4.36Å; I25-L29 WeakPolarHBondContact O-CB 3.21Å; I25-L29 WeakPolarHBondContact O-CD1 3.37Å; I25-L29 WeakPolarHBondContact O-CG 3.46Å; I25-L29 PolarHBondContact O-N 3.21Å; I26-L29 HydrophobicContact CD1-CD1 4.37Å; E27-L29 VanDerWaalsContact C-N 3.31Å; E27-L29 PolarHBondContact O-N 3.04Å; L29-L33 WeakPolarHBondContact O-CB 3.28Å; L29-L33 PolarHBondContact O-N 3.39Å; L29-L116 HydrophobicContact CB-CD1 4.3Å; L29-L116 HydrophobicContact CD2-CD1 3.83Å; L29-L120 HydrophobicContact CB-CD1 4.33Å; L29-L120 HydrophobicContact CB-CD2 3.8Å; L29-L120 HydrophobicContact CB-CG 4.26Å; L29-L120 HydrophobicContact CD1-CD2 4.47Å; L29-L123 HydrophobicContact CD1-CD1 4.28Å
30	K	91.2	Very high	90.4	Very high	88 Å²	88	57.1 Å²	57.1	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-69	-41.6	171.2	-66.7	162.1	-167	156.6	0	111.4	I26 E27 E28 V32 L33 D34 L120	I26-K30 VanDerWaalsContact O-CG 3.29Å; I26-K30 WeakPolarHBondContact O-CG 3.42Å; I26-K30 PolarHBondContact O-N 2.9Å; E27-K30 WeakPolarHBondContact O-CB 3.28Å; E27-K30 PolarHBondContact O-N 3.44Å; E28-K30 VanDerWaalsContact C-N 3.29Å; E28-K30 PolarHBondContact O-N 2.87Å; K30-V32 VanDerWaalsContact C-N 3.32Å; K30-V32 PolarHBondContact O-N 3.43Å; K30-L33 WeakPolarHBondContact O-CB 3.35Å; K30-L33 PolarHBondContact O-N 3.02Å; K30-D34 PolarHBondContact O-N 2.8Å; K30-L120 HydrophobicContact CG-CD1 4.41Å; K30-L120 HydrophobicContact CG-CD2 4.43Å
31	N	91.7	Very high	90.4	Very high	94 Å²	94	59.7 Å²	59.7	50%	0.503	30%	0.303	S	S	.	.	H	α-helix	trans	-58.7	-44.9	176	-63.8	-22	0	0	0	111	E27 E28 D34 S35	E27-N31 PolarHBondContact O-N 3.4Å; E28-N31 WeakPolarHBondContact O-CB 3.4Å; E28-N31 PolarHBondContact O-N 2.82Å; E28-N31 VanDerWaalsContact O-N 3.16Å; E28-N31 PolarHBondContact OE2-ND2 3.28Å; N31-D34 PolarHBondContact O-N 3.09Å; N31-S35 WeakPolarHBondContact O-CB 3.47Å; N31-S35 PolarHBondContact O-N 2.99Å
32	V	93.9	Very high	90.4	Very high	32 Å²	32	58.5 Å²	58.5	19%	0.194	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-43.4	174.9	172.1	0	0	0	0	111.4	Y14 I16 E28 K30 S35 K36 L116	Y14-V32 HydrophobicContact CD1-CG1 3.75Å; Y14-V32 HydrophobicContact CE1-CG1 4.42Å; Y14-V32 HydrophobicContact CG-CG1 4.08Å; I16-V32 HydrophobicContact CD1-CG2 4.08Å; I16-V32 HydrophobicContact CG1-CG2 4.46Å; E28-V32 WeakPolarHBondContact O-CG2 3.44Å; E28-V32 PolarHBondContact O-N 2.92Å; K30-V32 VanDerWaalsContact C-N 3.32Å; K30-V32 PolarHBondContact O-N 3.43Å; V32-S35 PolarHBondContact O-N 3.26Å; V32-K36 HydrophobicContact CG1-CD 4.17Å; V32-K36 VanDerWaalsContact CG1-CE 3.45Å; V32-K36 WeakPolarHBondContact O-CG 2.95Å; V32-K36 PolarHBondContact O-N 2.99Å; V32-L116 HydrophobicContact CB-CD2 4.29Å; V32-L116 HydrophobicContact CG1-CD2 3.81Å
33	L	93.3	Very high	90.4	Very high	11 Å²	11	57.9 Å²	57.9	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-47.6	176.6	173.1	58.5	0	0	0	112.1	L29 K30 K36 R37 I113 L116 E117 L120	L29-L33 WeakPolarHBondContact O-CB 3.28Å; L29-L33 PolarHBondContact O-N 3.39Å; K30-L33 WeakPolarHBondContact O-CB 3.35Å; K30-L33 PolarHBondContact O-N 3.02Å; L33-K36 PolarHBondContact O-N 2.92Å; L33-R37 HydrophobicContact CD1-CG 4.24Å; L33-R37 VanDerWaalsContact O-CG 3.31Å; L33-R37 WeakPolarHBondContact O-CG 3.36Å; L33-R37 PolarHBondContact O-N 3.4Å; L33-I113 HydrophobicContact CD1-CG2 3.91Å; L33-L116 HydrophobicContact CB-CD2 3.76Å; L33-L116 HydrophobicContact CB-CG 4.13Å; L33-L116 HydrophobicContact CD1-CD2 4.49Å; L33-L116 HydrophobicContact CD1-CG 4.5Å; L33-E117 HydrophobicContact CD1-CG 3.65Å; L33-E117 HydrophobicContact CD2-CG 3.73Å; L33-E117 HydrophobicContact CG-CG 4.35Å; L33-L120 HydrophobicContact CB-CD1 4.28Å; L33-L120 HydrophobicContact CD2-CD1 3.81Å
34	D	88.3	Confident	90.5	Very high	86 Å²	86	56.4 Å²	56.4	46%	0.46	28%	0.279	S	S	.	.	H	α-helix	trans	-70	-33.1	-179.5	-72.8	-29.1	0	0	0	112.4	K30 N31 R37 L38	K30-D34 PolarHBondContact O-N 2.8Å; N31-D34 PolarHBondContact O-N 3.09Å; D34-R37 PolarHBondContact O-N 3.47Å; D34-R37 WeakPolarHBondContact OD1-CD 3.49Å; D34-R37 IonicContact OD1-CZ 3.47Å; D34-R37 IonicContact OD1-NE 2.67Å; D34-R37 IonicContact OD1-NH1 3.19Å; D34-R37 PolarHBondContact OD1-NH1 3.36Å; D34-L38 PolarHBondContact O-N 3.11Å
35	S	93.3	Very high	90.1	Very high	65 Å²	65	58.3 Å²	58.3	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-48.4	168.6	-171	0	0	0	0	112.1	N31 V32 R37 L38 D39	N31-S35 WeakPolarHBondContact O-CB 3.47Å; N31-S35 PolarHBondContact O-N 2.99Å; V32-S35 PolarHBondContact O-N 3.26Å; S35-R37 PolarHBondContact O-N 3.02Å; S35-L38 WeakPolarHBondContact O-CB 3.47Å; S35-L38 PolarHBondContact O-N 3.47Å; S35-D39 PolarHBondContact O-N 3.02Å; S35-D39 VanDerWaalsContact O-N 3.08Å
36	K	94.5	Very high	89.8	Confident	35 Å²	35	61.7 Å²	61.7	15%	0.152	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-40.4	178.5	-71.1	173.6	-173.2	-76.8	0	111.9	Y14 V32 L33 L38 D39 L40 L109 D112 I113 L116	Y14-K36 VanDerWaalsContact CE1-CE 3.47Å; V32-K36 HydrophobicContact CG1-CD 4.17Å; V32-K36 VanDerWaalsContact CG1-CE 3.45Å; V32-K36 WeakPolarHBondContact O-CG 2.95Å; V32-K36 PolarHBondContact O-N 2.99Å; L33-K36 PolarHBondContact O-N 2.92Å; K36-L38 VanDerWaalsContact C-N 3.29Å; K36-L38 PolarHBondContact O-N 3.14Å; K36-D39 PolarHBondContact O-N 2.6Å; K36-D39 VanDerWaalsContact O-N 3.17Å; K36-L40 PolarHBondContact O-N 3Å; K36-L109 HydrophobicContact CB-CD1 3.92Å; K36-L109 HydrophobicContact CD-CD1 4.46Å; K36-L109 HydrophobicContact CG-CD1 3.98Å; K36-D112 WeakPolarHBondContact CD-OD1 3.28Å; K36-D112 WeakPolarHBondContact CE-OD1 3.47Å; K36-D112 IonicContact NZ-OD1 3.34Å; K36-D112 PolarHBondContact NZ-OD1 2.94Å; K36-D112 IonicContact NZ-OD2 2.85Å; K36-D112 PolarHBondContact NZ-OD2 3.48Å; K36-I113 HydrophobicContact CB-CD1 3.98Å; K36-I113 HydrophobicContact CB-CG1 3.58Å; K36-I113 HydrophobicContact CD-CG1 4.47Å; K36-L116 HydrophobicContact CD-CD2 4.32Å
37	R	92.4	Very high	89.4	Confident	101 Å²	101	64 Å²	64	38%	0.381	31%	0.31	S	S	.	.	H	α-helix	trans	-58.9	-38.7	174.3	-75.2	164.3	165.4	178.6	-3.5	112.1	L33 D34 S35 Q41 I113 E117	L33-R37 HydrophobicContact CD1-CG 4.24Å; L33-R37 VanDerWaalsContact O-CG 3.31Å; L33-R37 WeakPolarHBondContact O-CG 3.36Å; L33-R37 PolarHBondContact O-N 3.4Å; D34-R37 PolarHBondContact O-N 3.47Å; D34-R37 WeakPolarHBondContact OD1-CD 3.49Å; D34-R37 IonicContact OD1-CZ 3.47Å; D34-R37 IonicContact OD1-NE 2.67Å; D34-R37 IonicContact OD1-NH1 3.19Å; D34-R37 PolarHBondContact OD1-NH1 3.36Å; S35-R37 PolarHBondContact O-N 3.02Å; R37-Q41 WeakPolarHBondContact O-CG 3.25Å; R37-Q41 PolarHBondContact O-N 3.05Å; R37-I113 HydrophobicContact CG-CD1 4.4Å; R37-I113 HydrophobicContact CG-CG2 4.33Å; R37-E117 IonicContact CZ-OE1 3.5Å; R37-E117 VanDerWaalsContact CZ-OE1 3.29Å; R37-E117 IonicContact NE-OE1 3.68Å; R37-E117 PolarHBondContact NE-OE1 3.34Å; R37-E117 IonicContact NH2-OE1 2.74Å; R37-E117 PolarHBondContact NH2-OE1 2.77Å
38	L	87.9	Confident	89	Confident	69 Å²	69	62.2 Å²	62.2	36%	0.361	31%	0.31	S	S	.	.	H	α-helix	trans	-65.7	-42.7	174.3	-176.9	67.3	0	0	0	111.7	D34 S35 K36 Q41 K42	D34-L38 PolarHBondContact O-N 3.11Å; S35-L38 WeakPolarHBondContact O-CB 3.47Å; S35-L38 PolarHBondContact O-N 3.47Å; K36-L38 VanDerWaalsContact C-N 3.29Å; K36-L38 PolarHBondContact O-N 3.14Å; L38-Q41 WeakPolarHBondContact O-CB 3.3Å; L38-Q41 PolarHBondContact O-N 3.44Å; L38-K42 PolarHBondContact O-N 3.32Å; L38-K42 VanDerWaalsContact O-N 3.1Å
39	D	90.1	Very high	88.3	Confident	57 Å²	57	58.9 Å²	58.9	31%	0.305	30%	0.298	S	S	.	.	H	α-helix	trans	-66.4	-36.1	177.4	-70.1	-29.3	0	0	0	112.5	S35 K36 Q41 K42 L43 L109	S35-D39 PolarHBondContact O-N 3.02Å; S35-D39 VanDerWaalsContact O-N 3.08Å; K36-D39 PolarHBondContact O-N 2.6Å; K36-D39 VanDerWaalsContact O-N 3.17Å; D39-Q41 VanDerWaalsContact C-N 3.29Å; D39-Q41 PolarHBondContact O-N 2.86Å; D39-K42 WeakPolarHBondContact O-CB 3.12Å; D39-K42 PolarHBondContact O-N 3.11Å; D39-K42 VanDerWaalsContact O-N 3.1Å; D39-K42 WeakPolarHBondContact OD1-CD 3.04Å; D39-K42 WeakPolarHBondContact OD1-CE 3.2Å; D39-K42 IonicContact OD1-NZ 3.43Å; D39-K42 PolarHBondContact OD1-NZ 2.87Å; D39-L43 PolarHBondContact O-N 3.38Å; D39-L109 HydrophobicContact CB-CD2 3.75Å
40	L	92.1	Very high	87.6	Confident	27 Å²	27	59.5 Å²	59.5	14%	0.141	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-35.8	172.6	-174.9	66.6	0	0	0	111.7	K36 L43 Y44 V106 L109 A110 I113	K36-L40 PolarHBondContact O-N 3Å; L40-L43 PolarHBondContact O-N 3.46Å; L40-Y44 HydrophobicContact CD1-CE2 3.95Å; L40-Y44 HydrophobicContact CD2-CE2 4.03Å; L40-Y44 HydrophobicContact CG-CD2 4.11Å; L40-Y44 HydrophobicContact CG-CE2 3.67Å; L40-Y44 WeakPolarHBondContact O-CD2 3.38Å; L40-Y44 PolarHBondContact O-N 3.14Å; L40-V106 HydrophobicContact CD1-CG1 4.2Å; L40-L109 HydrophobicContact CB-CD2 3.96Å; L40-L109 HydrophobicContact CB-CG 4.4Å; L40-A110 HydrophobicContact CD1-CB 4.23Å; L40-A110 HydrophobicContact CD2-CB 4.33Å; L40-I113 HydrophobicContact CB-CD1 3.84Å; L40-I113 HydrophobicContact CD2-CD1 3.81Å; L40-I113 HydrophobicContact CG-CD1 4.37Å
41	Q	87	Confident	86.7	Confident	112 Å²	112	58.6 Å²	58.6	52%	0.523	30%	0.299	S	S	.	.	H	α-helix	trans	-65.8	-39	171.9	-68.3	-176.6	19.4	0	0	112.4	R37 L38 D39 Y44 K45	R37-Q41 WeakPolarHBondContact O-CG 3.25Å; R37-Q41 PolarHBondContact O-N 3.05Å; L38-Q41 WeakPolarHBondContact O-CB 3.3Å; L38-Q41 PolarHBondContact O-N 3.44Å; D39-Q41 VanDerWaalsContact C-N 3.29Å; D39-Q41 PolarHBondContact O-N 2.86Å; Q41-Y44 PolarHBondContact O-N 2.89Å; Q41-K45 WeakPolarHBondContact O-CG 3.28Å; Q41-K45 PolarHBondContact O-N 3.27Å; Q41-K45 VanDerWaalsContact O-N 3.08Å
42	K	87.6	Confident	85.9	Confident	58 Å²	58	57.5 Å²	57.5	25%	0.252	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-47.9	174.5	-63.6	171.5	-168.4	154.9	0	110.6	L38 D39 Y44 K45 L46 S1015	L38-K42 PolarHBondContact O-N 3.32Å; L38-K42 VanDerWaalsContact O-N 3.1Å; D39-K42 WeakPolarHBondContact O-CB 3.12Å; D39-K42 PolarHBondContact O-N 3.11Å; D39-K42 VanDerWaalsContact O-N 3.1Å; D39-K42 WeakPolarHBondContact OD1-CD 3.04Å; D39-K42 WeakPolarHBondContact OD1-CE 3.2Å; D39-K42 IonicContact OD1-NZ 3.43Å; D39-K42 PolarHBondContact OD1-NZ 2.87Å; K42-Y44 VanDerWaalsContact C-N 3.34Å; K42-Y44 PolarHBondContact O-N 2.95Å; K42-K45 WeakPolarHBondContact O-CB 3.49Å; K42-K45 PolarHBondContact O-N 3.36Å; K42-K45 VanDerWaalsContact O-N 3.12Å; K42-L46 PolarHBondContact O-N 3.09Å; K42-S1015 WeakPolarHBondContact CE-O 3.29Å
43	L	87.1	Confident	84.6	Confident	33 Å²	33	57.5 Å²	57.5	17%	0.173	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-34.5	177.9	-70.9	175.6	0	0	0	113.2	D39 L40 K47 D105 V106 L109	D39-L43 PolarHBondContact O-N 3.38Å; L40-L43 PolarHBondContact O-N 3.46Å; L43-K47 VanDerWaalsContact O-CB 3.27Å; L43-K47 WeakPolarHBondContact O-CB 3.13Å; L43-K47 PolarHBondContact O-N 2.89Å; L43-D105 HydrophobicContact CD1-CB 3.82Å; L43-D105 HydrophobicContact CD2-CB 4.11Å; L43-V106 HydrophobicContact CB-CG2 3.56Å; L43-V106 HydrophobicContact CD1-CG2 4.26Å; L43-V106 HydrophobicContact CG-CG2 4.48Å; L43-L109 HydrophobicContact CD1-CD2 3.92Å
44	Y	86.7	Confident	83.2	Confident	81 Å²	81	63.5 Å²	63.5	32%	0.318	31%	0.31	S	S	.	.	H	α-helix	trans	-66	-39	171.8	-81.7	-52.4	0	0	0	113.3	L40 Q41 K42 K47 A48 V106 R546	L40-Y44 HydrophobicContact CD1-CE2 3.95Å; L40-Y44 HydrophobicContact CD2-CE2 4.03Å; L40-Y44 HydrophobicContact CG-CD2 4.11Å; L40-Y44 HydrophobicContact CG-CE2 3.67Å; L40-Y44 WeakPolarHBondContact O-CD2 3.38Å; L40-Y44 PolarHBondContact O-N 3.14Å; Q41-Y44 PolarHBondContact O-N 2.89Å; K42-Y44 VanDerWaalsContact C-N 3.34Å; K42-Y44 PolarHBondContact O-N 2.95Å; Y44-K47 PolarHBondContact O-N 3.01Å; Y44-A48 WeakPolarHBondContact O-CB 3.34Å; Y44-A48 PolarHBondContact O-N 3.16Å; Y44-V106 HydrophobicContact CD1-CG1 4.47Å; Y44-V106 HydrophobicContact CE1-CG1 3.66Å; Y44-R546 PolarHBondContact OH-NH2 2.83Å
45	K	80.6	Confident	82.2	Confident	79 Å²	79	63.2 Å²	63.2	34%	0.343	31%	0.308	S	S	.	.	H	α-helix	trans	-65.5	-46.3	175.5	-71.5	171.1	169.4	-167.2	0	110.5	Q41 K42 K47 A48 G49 F1000	Q41-K45 WeakPolarHBondContact O-CG 3.28Å; Q41-K45 PolarHBondContact O-N 3.27Å; Q41-K45 VanDerWaalsContact O-N 3.08Å; K42-K45 WeakPolarHBondContact O-CB 3.49Å; K42-K45 PolarHBondContact O-N 3.36Å; K42-K45 VanDerWaalsContact O-N 3.12Å; K45-K47 PolarHBondContact O-N 3.24Å; K45-A48 CarbonylContact O-C 3.58Å; K45-A48 PolarHBondContact O-N 3.36Å; K45-G49 PolarHBondContact O-N 3.21Å; K45-F1000 HydrophobicContact CD-CB 3.73Å; K45-F1000 HydrophobicContact CD-CG 4.3Å
46	L	83.5	Confident	80.7	Confident	73 Å²	73	60.1 Å²	60.1	38%	0.382	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-44.9	173.5	-171.8	66	0	0	0	111.5	K42 A48 G49 V50 I102	K42-L46 PolarHBondContact O-N 3.09Å; L46-A48 PolarHBondContact O-N 2.96Å; L46-G49 CarbonylContact O-C 3.59Å; L46-G49 VanDerWaalsContact O-CA 3.22Å; L46-G49 WeakPolarHBondContact O-CA 3.31Å; L46-G49 PolarHBondContact O-N 3.38Å; L46-V50 WeakPolarHBondContact O-CG2 3.42Å; L46-V50 PolarHBondContact O-N 2.86Å; L46-I102 HydrophobicContact CD2-CD1 3.89Å; L46-I102 HydrophobicContact CD2-CG1 4.03Å; L46-I102 HydrophobicContact CG-CD1 3.81Å; L46-I102 HydrophobicContact CG-CG1 4.44Å
47	K	83.9	Confident	78.9	Confident	71 Å²	71	60.3 Å²	60.3	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-61.3	-40.3	175.2	-178.9	171.2	169.6	171.8	0	113.2	L43 Y44 K45 G49 V50 Q51 I102 N103	L43-K47 VanDerWaalsContact O-CB 3.27Å; L43-K47 WeakPolarHBondContact O-CB 3.13Å; L43-K47 PolarHBondContact O-N 2.89Å; Y44-K47 PolarHBondContact O-N 3.01Å; K45-K47 PolarHBondContact O-N 3.24Å; K47-G49 PolarHBondContact O-N 2.89Å; K47-V50 PolarHBondContact O-N 2.99Å; K47-Q51 WeakPolarHBondContact O-CB 3.46Å; K47-Q51 PolarHBondContact O-N 3.34Å; K47-I102 HydrophobicContact CB-CG2 3.75Å; K47-I102 HydrophobicContact CG-CG2 4.45Å; K47-N103 WeakPolarHBondContact CE-OD1 3.28Å; K47-N103 PolarHBondContact NZ-OD1 2.99Å
48	A	79.4	Confident	76.8	Confident	51 Å²	51	58.1 Å²	58.1	42%	0.421	30%	0.304	S	S	.	.	H	α-helix	trans	-70.4	-19.5	174.1	0	0	0	0	0	112.6	Y44 K45 L46 K52	Y44-A48 WeakPolarHBondContact O-CB 3.34Å; Y44-A48 PolarHBondContact O-N 3.16Å; K45-A48 CarbonylContact O-C 3.58Å; K45-A48 PolarHBondContact O-N 3.36Å; L46-A48 PolarHBondContact O-N 2.96Å; A48-K52 WeakPolarHBondContact O-CE 3.48Å; A48-K52 WeakPolarHBondContact O-CG 3.24Å
49	G	77.5	Confident	74.8	Confident	14 Å²	14	60.4 Å²	60.4	14%	0.144	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	12.7	171.3	0	0	0	0	0	115.3	K45 L46 K47 E1046	K45-G49 PolarHBondContact O-N 3.21Å; L46-G49 CarbonylContact O-C 3.59Å; L46-G49 VanDerWaalsContact O-CA 3.22Å; L46-G49 WeakPolarHBondContact O-CA 3.31Å; L46-G49 PolarHBondContact O-N 3.38Å; K47-G49 PolarHBondContact O-N 2.89Å; G49-E1046 VanDerWaalsContact C-CG 3.49Å; G49-E1046 VanDerWaalsContact C-OE2 3.26Å; G49-E1046 VanDerWaalsContact CA-CD 3.41Å; G49-E1046 WeakPolarHBondContact CA-OE1 3.07Å; G49-E1046 PolarHBondContact N-OE1 3.47Å; G49-E1046 WeakPolarHBondContact O-CG 3.34Å
50	V	78.2	Confident	72.5	Confident	13 Å²	13	60.4 Å²	60.4	8%	0.079	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	7	162.3	-167.5	0	0	0	0	111.7	L46 K47 L53 T95 V98 I99 I102 E1046	L46-V50 WeakPolarHBondContact O-CG2 3.42Å; L46-V50 PolarHBondContact O-N 2.86Å; K47-V50 PolarHBondContact O-N 2.99Å; V50-L53 HydrophobicContact CG1-CD1 4.49Å; V50-T95 HydrophobicContact CG1-CG2 3.75Å; V50-V98 HydrophobicContact CG1-CB 4.27Å; V50-V98 HydrophobicContact CG1-CG1 3.92Å; V50-V98 HydrophobicContact CG2-CG1 4.12Å; V50-I99 HydrophobicContact CB-CG1 4.23Å; V50-I99 HydrophobicContact CG1-CD1 4.39Å; V50-I99 HydrophobicContact CG1-CG1 3.67Å; V50-I99 WeakPolarHBondContact O-CD1 3.47Å; V50-I102 HydrophobicContact CB-CD1 4.15Å; V50-I102 HydrophobicContact CG2-CD1 3.67Å; V50-E1046 VanDerWaalsContact CA-CD 3.46Å; V50-E1046 WeakPolarHBondContact CA-OE2 3.24Å; V50-E1046 PolarHBondContact N-OE1 2.86Å; V50-E1046 PolarHBondContact N-OE2 3.24Å
51	Q	72.8	Confident	70	Confident	69 Å²	69	64.6 Å²	64.6	32%	0.322	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-32.2	-179.8	-177	53.3	71.5	0	0	113.6	K47 L53 D55 E1046	K47-Q51 WeakPolarHBondContact O-CB 3.46Å; K47-Q51 PolarHBondContact O-N 3.34Å; Q51-L53 VanDerWaalsContact C-N 3.32Å; Q51-D55 PolarHBondContact NE2-OD1 3.5Å; Q51-D55 VanDerWaalsContact O-CG 3.25Å; Q51-D55 PolarHBondContact O-N 3.4Å; Q51-D55 VanDerWaalsContact O-N 3.11Å; Q51-E1046 PolarHBondContact N-OE1 2.72Å; Q51-E1046 PolarHBondContact N-OE2 2.71Å
52	K	74.2	Confident	67.4	Low	71 Å²	71	62.9 Å²	62.9	31%	0.309	34%	0.343	S	S	.	.	H	α-helix	trans	-70.1	-19	171.5	-51.1	171.6	-171.4	-169	0	113.2	A48 D55 A56 S1044 E1045 E1046	A48-K52 WeakPolarHBondContact O-CE 3.48Å; A48-K52 WeakPolarHBondContact O-CG 3.24Å; K52-D55 CarbonylContact O-C 2.97Å; K52-D55 PolarHBondContact O-N 3.46Å; K52-A56 PolarHBondContact O-N 3.18Å; K52-S1044 PolarHBondContact O-OG 3.44Å; K52-E1045 HydrophobicContact CD-CB 4.26Å; K52-E1045 HydrophobicContact CD-CG 4.38Å; K52-E1045 WeakPolarHBondContact CD-OE1 3.4Å; K52-E1045 IonicContact NZ-OE1 2.7Å; K52-E1045 PolarHBondContact NZ-OE1 3.5Å; K52-E1045 IonicContact NZ-OE2 3.17Å; K52-E1045 PolarHBondContact NZ-OE2 3.46Å; K52-E1046 VanDerWaalsContact C-CB 3.46Å; K52-E1046 VanDerWaalsContact CA-OE1 3.29Å; K52-E1046 WeakPolarHBondContact CA-OE1 3.45Å; K52-E1046 HydrophobicContact CB-CB 3.72Å; K52-E1046 HydrophobicContact CB-CG 3.94Å; K52-E1046 WeakPolarHBondContact CB-OE1 3.44Å; K52-E1046 WeakPolarHBondContact CG-OE1 3.37Å; K52-E1046 PolarHBondContact N-OE1 2.58Å; K52-E1046 PolarHBondContact N-OE2 2.98Å
53	L	65.6	Low	64.8	Low	31 Å²	31	64.3 Å²	64.3	16%	0.162	37%	0.365	C	S	.	.	H	α-helix	trans	-73.2	-54.3	177	-100.4	169.3	0	0	0	106.4	V50 Q51 D55 A56 A57 T95 E1046 E1047 D1050	V50-L53 HydrophobicContact CG1-CD1 4.49Å; Q51-L53 VanDerWaalsContact C-N 3.32Å; L53-D55 PolarHBondContact O-N 2.86Å; L53-A56 PolarHBondContact O-N 2.82Å; L53-A57 VanDerWaalsContact O-CB 3.29Å; L53-A57 WeakPolarHBondContact O-CB 3.47Å; L53-A57 PolarHBondContact O-N 3.49Å; L53-T95 HydrophobicContact CB-CG2 4.37Å; L53-T95 HydrophobicContact CD1-CG2 4.35Å; L53-E1046 VanDerWaalsContact CA-OE2 3.26Å; L53-E1046 WeakPolarHBondContact CA-OE2 3.43Å; L53-E1046 HydrophobicContact CB-CB 3.88Å; L53-E1046 HydrophobicContact CB-CG 4.24Å; L53-E1046 WeakPolarHBondContact CB-OE2 3.19Å; L53-E1046 VanDerWaalsContact CD2-C 3.43Å; L53-E1046 HydrophobicContact CD2-CB 4.37Å; L53-E1046 WeakPolarHBondContact CD2-O 3.5Å; L53-E1046 HydrophobicContact CG-CB 3.61Å; L53-E1046 HydrophobicContact CG-CG 3.9Å; L53-E1046 VanDerWaalsContact CG-O 3.32Å; L53-E1046 WeakPolarHBondContact CG-O 3.3Å; L53-E1046 VanDerWaalsContact CG-OE2 3.29Å; L53-E1046 WeakPolarHBondContact CG-OE2 3.46Å; L53-E1046 PolarHBondContact N-OE2 3.48Å; L53-E1047 HydrophobicContact CD2-CG 4.17Å; L53-D1050 HydrophobicContact CD2-CB 3.83Å
54	R	65.6	Low	62.2	Low	138 Å²	138	69.1 Å²	69.1	52%	0.521	40%	0.396	S	S	.	.	H	α-helix	trans	-55.8	-31.4	171.8	-172.1	176.5	-175.8	-163.3	8.1	111.3	I99	R54-I99 HydrophobicContact CB-CD1 4.47Å
55	D	66.9	Low	59.6	Low	79 Å²	79	73 Å²	73	42%	0.422	42%	0.42	S	S	.	.	H	α-helix	trans	-84.3	-24.4	175.6	-69.1	1.4	0	0	0	114.4	Q51 K52 L53 K59	Q51-D55 PolarHBondContact NE2-OD1 3.5Å; Q51-D55 VanDerWaalsContact O-CG 3.25Å; Q51-D55 PolarHBondContact O-N 3.4Å; Q51-D55 VanDerWaalsContact O-N 3.11Å; K52-D55 CarbonylContact O-C 2.97Å; K52-D55 PolarHBondContact O-N 3.46Å; L53-D55 PolarHBondContact O-N 2.86Å; D55-K59 WeakPolarHBondContact O-CD 3.22Å; D55-K59 VanDerWaalsContact O-CG 3.25Å; D55-K59 WeakPolarHBondContact O-CG 3.45Å
56	A	60.5	Low	57.4	Low	0 Å²	0	74.9 Å²	74.9	0%	0	44%	0.441	C	S	.	.	H	α-helix	trans	-86.2	-41	173.2	0	0	0	0	0	114	K52 L53 G58 K59 S60 E1043 S1044 E1047	K52-A56 PolarHBondContact O-N 3.18Å; L53-A56 PolarHBondContact O-N 2.82Å; A56-G58 PolarHBondContact O-N 3Å; A56-K59 PolarHBondContact O-N 3.39Å; A56-S60 PolarHBondContact O-N 2.89Å; A56-E1043 HydrophobicContact CB-CB 4.4Å; A56-S1044 VanDerWaalsContact CB-CB 3.47Å; A56-S1044 WeakPolarHBondContact CB-OG 3.43Å; A56-E1047 HydrophobicContact CB-CB 4.35Å; A56-E1047 VanDerWaalsContact CB-CD 3.49Å; A56-E1047 HydrophobicContact CB-CG 3.71Å
57	A	56.5	Low	54.8	Low	39 Å²	39	76.9 Å²	76.9	32%	0.322	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-1.4	169.2	0	0	0	0	0	112.2	L53 R92 E1047	L53-A57 VanDerWaalsContact O-CB 3.29Å; L53-A57 WeakPolarHBondContact O-CB 3.47Å; L53-A57 PolarHBondContact O-N 3.49Å; A57-R92 PolarHBondContact O-NH2 3.25Å; A57-E1047 VanDerWaalsContact CA-OE1 3.3Å; A57-E1047 WeakPolarHBondContact CA-OE1 3.34Å; A57-E1047 PolarHBondContact N-OE1 2.91Å
58	G	50.3	Low	52.5	Low	56 Å²	56	79 Å²	79	58%	0.577	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-10.3	166.1	0	0	0	0	0	116.2	A56	A56-G58 PolarHBondContact O-N 3Å
59	K	45.3	Very low	50.2	Low	117 Å²	117	83.8 Å²	83.8	51%	0.509	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-33.7	-178.6	-76.1	168.4	-172.6	172.1	0	114.2	D55 A56 V61 S62	D55-K59 WeakPolarHBondContact O-CD 3.22Å; D55-K59 VanDerWaalsContact O-CG 3.25Å; D55-K59 WeakPolarHBondContact O-CG 3.45Å; A56-K59 PolarHBondContact O-N 3.39Å; K59-V61 PolarHBondContact O-N 3.02Å; K59-S62 PolarHBondContact O-OG 3.41Å
60	S	40.4	Very low	48.2	Very low	57 Å²	57	89.8 Å²	89.8	40%	0.399	53%	0.531	S	S	.	.	S	Bend	trans	-69	37.6	-173.8	-167.6	0	0	0	0	116.8	A56 E1043	A56-S60 PolarHBondContact O-N 2.89Å; S60-E1043 VanDerWaalsContact CA-CD 3.46Å; S60-E1043 VanDerWaalsContact CA-OE1 3.31Å; S60-E1043 WeakPolarHBondContact CA-OE1 3.46Å; S60-E1043 WeakPolarHBondContact CA-OE2 3.05Å; S60-E1043 WeakPolarHBondContact CB-OE1 3.46Å; S60-E1043 WeakPolarHBondContact CB-OE2 3.29Å; S60-E1043 PolarHBondContact N-OE2 3.03Å; S60-E1043 PolarHBondContact OG-OE1 3.45Å
61	V	40.2	Very low	46	Very low	114 Å²	114	97.2 Å²	97.2	69%	0.691	56%	0.563	S	S	*	*	S	Bend	trans	-147.5	41.4	179.2	-158.5	0	0	0	0	111.3	K59	K59-V61 PolarHBondContact O-N 3.02Å
62	S	33.2	Very low	44.2	Very low	77 Å²	77	101 Å²	101	54%	0.538	58%	0.583	S	S	.	*	S	Bend	trans	-154	24.3	-177.3	59.4	0	0	0	0	118.3	K59	K59-S62 PolarHBondContact O-OG 3.41Å
63	A	33.4	Very low	42.3	Very low	88 Å²	88	103.9 Å²	103.9	73%	0.727	61%	0.606	S	S	*	*			trans	-143.5	159.6	167.9	0	0	0	0	0	110.7
64	V	32.3	Very low	40.8	Very low	134 Å²	134	106 Å²	106	81%	0.812	64%	0.635	S	S	*	*			trans	72.6	78.3	-178.3	-164.1	0	0	0	0	116.1
65	I	30.8	Very low	39.5	Very low	161 Å²	161	104.5 Å²	104.5	83%	0.826	64%	0.644	S	S	*	*			trans	-145.3	106.5	133.7	-54.1	176.9	0	0	0	108.8
66	P	34.6	Very low	38	Very low	120 Å²	120	107.8 Å²	107.8	78%	0.779	66%	0.661	S	S	*	*			trans	-89.8	133.6	156.1	-1.6	21.5	0	0	0	109.3
67	S	29.6	Very low	36.8	Very low	114 Å²	114	113.4 Å²	113.4	80%	0.797	70%	0.7	S	S	*	*			trans	-110	126.5	-178.2	54.3	0	0	0	0	112.1
68	S	35.9	Very low	35.9	Very low	116 Å²	116	116.6 Å²	116.6	81%	0.811	73%	0.726	S	S	*	*			trans	-148	118	159.6	49.7	0	0	0	0	109.6
69	N	29.9	Very low	35.1	Very low	152 Å²	152	117.6 Å²	117.6	81%	0.813	74%	0.737	S	S	*	*			trans	-67	152.2	161.2	-63.8	-33	0	0	0	108
70	D	35.5	Very low	34.7	Very low	139 Å²	139	118.2 Å²	118.2	74%	0.743	75%	0.753	S	S	*	*				-165.6	142	95.5	-93.4	-21.8	0	0	0	114.7
71	F	32.6	Very low	34.4	Very low	169 Å²	169	125.6 Å²	125.6	74%	0.741	78%	0.778	S	S	*	*			trans	59.2	108.7	147.4	-76.9	-101.2	0	0	0	123.4
72	M	35.2	Very low	34.2	Very low	150 Å²	150	129.1 Å²	129.1	74%	0.739	79%	0.787	S	S	*	*				92.7	107.4	122.6	-85.8	-169.8	152.2	0	0	123.4
73	T	34.4	Very low	34.1	Very low	131 Å²	131	128.6 Å²	128.6	80%	0.804	79%	0.794	S	S	*	*				70.7	126.2	128.8	56.4	0	0	0	0	122.3
74	G	32.8	Very low	34.1	Very low	74 Å²	74	135.1 Å²	135.1	76%	0.763	80%	0.801	S	S	*	*			trans	130.5	94.3	147.8	0	0	0	0	0	115.8
75	P	40.2	Very low	34	Very low	108 Å²	108	135.6 Å²	135.6	70%	0.701	81%	0.805	S	S	*	*			trans	-105.4	156.8	-175.8	38.5	-32.7	0	0	0	114.3
76	N	34.2	Very low	34.3	Very low	148 Å²	148	136.2 Å²	136.2	79%	0.791	81%	0.809	S	S	*	*				170.1	149	113.4	-89.3	-32.4	0	0	0	116.3
77	S	36.4	Very low	34.4	Very low	118 Å²	118	135 Å²	135	83%	0.825	80%	0.796	S	S	*	*			trans	69.8	145.9	158.1	74.1	0	0	0	0	119.6
78	A	36.9	Very low	34.9	Very low	105 Å²	105	140.9 Å²	140.9	87%	0.868	80%	0.8	S	S	*	*			cis	-168.8	154.1	-23.6	0	0	0	0	0	109.5
79	G	33.9	Very low	35.2	Very low	78 Å²	78	142.9 Å²	142.9	80%	0.804	79%	0.794	S	S	*	*			trans	129.2	117.6	164.9	0	0	0	0	0	116.3
80	P	35.9	Very low	35.7	Very low	129 Å²	129	139.3 Å²	139.3	84%	0.838	78%	0.781	S	S	*	*			trans	-104.6	164.2	-169.7	39.3	-35.2	0	0	0	115.6
81	K	35.3	Very low	36.2	Very low	212 Å²	212	136.2 Å²	136.2	92%	0.922	77%	0.771	S	S	*	*			trans	-138.4	142.9	157.6	-75.8	-168.8	176.6	-179	0	111.1
82	E	34.2	Very low	36.9	Very low	189 Å²	189	136.3 Å²	136.3	88%	0.883	77%	0.766	S	S	*	*			trans	-82.2	154.7	-170.3	-58.8	169.7	137	0	0	113.2
83	G	31.4	Very low	37.6	Very low	66 Å²	66	134.2 Å²	134.2	68%	0.68	76%	0.761	S	S	*	*			trans	-147.1	120.2	174.1	0	0	0	0	0	111.9
84	Y	33.8	Very low	38.9	Very low	224 Å²	224	131.6 Å²	131.6	88%	0.878	75%	0.745	S	S	*	*			trans	-76.1	127.3	-179.6	-80.7	-97	0	0	0	112
85	T	31.2	Very low	40.6	Very low	145 Å²	145	129.4 Å²	129.4	89%	0.89	72%	0.717	S	S	*	*			trans	-98.3	105	176.4	40.3	0	0	0	0	111.1
86	L	36	Very low	42.1	Very low	174 Å²	174	126.7 Å²	126.7	91%	0.911	70%	0.701	S	S	*	*			trans	-100.5	130.6	176.5	-102	162.7	0	0	0	113.2
87	D	36.5	Very low	44.1	Very low	94 Å²	94	122.3 Å²	122.3	50%	0.503	69%	0.685	S	S	.	*			trans	-57.1	119.4	-154.8	-165.8	-6.5	0	0	0	118.4	K89 S90	D87-K89 PolarHBondContact O-N 3.36Å; D87-K89 VanDerWaalsContact O-N 3.08Å; D87-K89 WeakPolarHBondContact OD1-CB 3.26Å; D87-K89 WeakPolarHBondContact OD1-CG 3.49Å; D87-K89 PolarHBondContact OD1-N 3.15Å; D87-S90 PolarHBondContact O-N 3.48Å
88	R	40.4	Very low	46	Very low	238 Å²	238	120 Å²	120	90%	0.898	67%	0.666	S	S	*	*	H	α-helix	trans	-58.5	-14.8	171.3	-92.4	177.7	163.9	163	-6.4	114.7
89	K	43.2	Very low	48.1	Very low	158 Å²	158	116 Å²	116	69%	0.687	63%	0.629	S	S	*	*	H	α-helix	trans	-73.7	-31.1	178.4	-67.5	170.9	-176.3	167.4	0	113	D87 R92	D87-K89 PolarHBondContact O-N 3.36Å; D87-K89 VanDerWaalsContact O-N 3.08Å; D87-K89 WeakPolarHBondContact OD1-CB 3.26Å; D87-K89 WeakPolarHBondContact OD1-CG 3.49Å; D87-K89 PolarHBondContact OD1-N 3.15Å; K89-R92 PolarHBondContact O-N 3.35Å
90	S	39.1	Very low	50.5	Low	77 Å²	77	119.5 Å²	119.5	54%	0.538	62%	0.623	S	S	.	*	H	α-helix	trans	-64.1	-44.8	-174.8	-163.6	0	0	0	0	112.3	D87 R92 V93 T94	D87-S90 PolarHBondContact O-N 3.48Å; S90-R92 VanDerWaalsContact C-N 3.29Å; S90-R92 PolarHBondContact O-N 3.17Å; S90-V93 PolarHBondContact O-N 3.3Å; S90-T94 PolarHBondContact O-N 3.23Å
91	S	46.9	Very low	52.8	Low	74 Å²	74	116.4 Å²	116.4	52%	0.517	60%	0.604	S	S	.	*	H	α-helix	trans	-58.4	-31	-179.5	168.8	0	0	0	0	114.4	T94 T95	S91-T94 PolarHBondContact O-OG1 2.86Å; S91-T95 PolarHBondContact O-OG1 3.14Å
92	R	47.6	Very low	55.2	Low	171 Å²	171	106.6 Å²	106.6	65%	0.645	56%	0.562	S	S	*	*	H	α-helix	trans	-78.2	-23.6	176.4	-80.5	-174.4	170.4	173.9	-0	114	A57 K89 S90	A57-R92 PolarHBondContact O-NH2 3.25Å; K89-R92 PolarHBondContact O-N 3.35Å; S90-R92 VanDerWaalsContact C-N 3.29Å; S90-R92 PolarHBondContact O-N 3.17Å
93	V	48.8	Very low	57.6	Low	105 Å²	105	100.3 Å²	100.3	64%	0.636	53%	0.534	S	S	*	.	H	α-helix	trans	-77.3	-41.1	177.2	179.5	0	0	0	0	109.8	S90 S96 A97	S90-V93 PolarHBondContact O-N 3.3Å; V93-S96 PolarHBondContact O-N 3.47Å; V93-A97 PolarHBondContact O-N 3.45Å; V93-A97 VanDerWaalsContact O-N 3.17Å
94	T	62.9	Low	60.2	Low	77 Å²	77	99.8 Å²	99.8	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-63.8	-50.2	-179.4	52.8	0	0	0	0	112.7	S90 S91 S96 A97 V98	S90-T94 PolarHBondContact O-N 3.23Å; S91-T94 PolarHBondContact O-OG1 2.86Å; T94-S96 PolarHBondContact O-N 3.01Å; T94-A97 WeakPolarHBondContact O-CB 3.08Å; T94-A97 PolarHBondContact O-N 3.18Å; T94-V98 PolarHBondContact O-N 3.43Å
95	T	67.6	Low	62.9	Low	28 Å²	28	92.1 Å²	92.1	17%	0.172	49%	0.494	C	S	.	.	H	α-helix	trans	-58.9	-36.5	178.5	-37.7	0	0	0	0	112.2	V50 L53 S91 A97 V98 I99	V50-T95 HydrophobicContact CG1-CG2 3.75Å; L53-T95 HydrophobicContact CB-CG2 4.37Å; L53-T95 HydrophobicContact CD1-CG2 4.35Å; S91-T95 PolarHBondContact O-OG1 3.14Å; T95-A97 VanDerWaalsContact C-N 3.32Å; T95-A97 PolarHBondContact O-N 3.14Å; T95-V98 PolarHBondContact O-N 3.43Å; T95-I99 HydrophobicContact CG2-CD1 4.32Å; T95-I99 VanDerWaalsContact O-CG1 3.31Å; T95-I99 WeakPolarHBondContact O-CG1 3.44Å; T95-I99 PolarHBondContact O-N 3.22Å
96	S	71.4	Confident	65.7	Low	51 Å²	51	85.4 Å²	85.4	36%	0.357	45%	0.453	S	S	.	.	H	α-helix	trans	-72	-24.2	177.3	-170.3	0	0	0	0	113.6	V93 T94 K100	V93-S96 PolarHBondContact O-N 3.47Å; T94-S96 PolarHBondContact O-N 3.01Å; S96-K100 WeakPolarHBondContact O-CG 3.36Å; S96-K100 PolarHBondContact O-N 3.19Å
97	A	76	Confident	68.1	Low	56 Å²	56	83 Å²	83	46%	0.463	44%	0.437	S	S	.	.	H	α-helix	trans	-75.2	-44.6	172.2	0	0	0	0	0	110.7	V93 T94 T95 I99 K100 S101	V93-A97 PolarHBondContact O-N 3.45Å; V93-A97 VanDerWaalsContact O-N 3.17Å; T94-A97 WeakPolarHBondContact O-CB 3.08Å; T94-A97 PolarHBondContact O-N 3.18Å; T95-A97 VanDerWaalsContact C-N 3.32Å; T95-A97 PolarHBondContact O-N 3.14Å; A97-I99 PolarHBondContact O-N 3.4Å; A97-K100 WeakPolarHBondContact O-CA 3.22Å; A97-K100 WeakPolarHBondContact O-CB 3.22Å; A97-K100 PolarHBondContact O-N 3Å; A97-S101 PolarHBondContact O-N 3.43Å
98	V	77.5	Confident	70.6	Confident	70 Å²	70	82.5 Å²	82.5	42%	0.424	44%	0.435	S	S	.	.	H	α-helix	trans	-60.3	-45.5	176.8	179.2	0	0	0	0	111.4	V50 T94 T95 K100 S101 I102	V50-V98 HydrophobicContact CG1-CB 4.27Å; V50-V98 HydrophobicContact CG1-CG1 3.92Å; V50-V98 HydrophobicContact CG2-CG1 4.12Å; T94-V98 PolarHBondContact O-N 3.43Å; T95-V98 PolarHBondContact O-N 3.43Å; V98-K100 VanDerWaalsContact C-N 3.25Å; V98-K100 PolarHBondContact O-N 3.12Å; V98-S101 WeakPolarHBondContact O-CB 3.37Å; V98-S101 PolarHBondContact O-N 2.91Å; V98-S101 VanDerWaalsContact O-N 3.17Å; V98-I102 HydrophobicContact CG1-CD1 3.68Å; V98-I102 HydrophobicContact CG1-CG1 4.35Å; V98-I102 WeakPolarHBondContact O-CG1 3.49Å; V98-I102 PolarHBondContact O-N 3.03Å
99	I	81	Confident	73.1	Confident	19 Å²	19	72.5 Å²	72.5	10%	0.097	40%	0.399	C	S	.	.	H	α-helix	trans	-59.8	-35.6	174.4	-66.9	169.9	0	0	0	111.6	V50 R54 T95 A97 N103	V50-I99 HydrophobicContact CB-CG1 4.23Å; V50-I99 HydrophobicContact CG1-CD1 4.39Å; V50-I99 HydrophobicContact CG1-CG1 3.67Å; V50-I99 WeakPolarHBondContact O-CD1 3.47Å; R54-I99 HydrophobicContact CB-CD1 4.47Å; T95-I99 HydrophobicContact CG2-CD1 4.32Å; T95-I99 VanDerWaalsContact O-CG1 3.31Å; T95-I99 WeakPolarHBondContact O-CG1 3.44Å; T95-I99 PolarHBondContact O-N 3.22Å; A97-I99 PolarHBondContact O-N 3.4Å; I99-N103 VanDerWaalsContact CG2-ND2 3.35Å; I99-N103 WeakPolarHBondContact CG2-ND2 3.38Å; I99-N103 WeakPolarHBondContact O-CB 3.43Å; I99-N103 PolarHBondContact O-N 3.12Å; I99-N103 VanDerWaalsContact O-N 3.09Å; I99-N103 PolarHBondContact O-ND2 3.13Å
100	K	83.1	Confident	75.3	Confident	152 Å²	152	65.6 Å²	65.6	66%	0.661	37%	0.371	S	S	*	.	H	α-helix	trans	-68.1	-44	175.8	-78.7	178	175.5	-172.3	0	111.6	S96 A97 V98 N103 S104	S96-K100 WeakPolarHBondContact O-CG 3.36Å; S96-K100 PolarHBondContact O-N 3.19Å; A97-K100 WeakPolarHBondContact O-CA 3.22Å; A97-K100 WeakPolarHBondContact O-CB 3.22Å; A97-K100 PolarHBondContact O-N 3Å; V98-K100 VanDerWaalsContact C-N 3.25Å; V98-K100 PolarHBondContact O-N 3.12Å; K100-N103 PolarHBondContact O-N 3.04Å; K100-S104 PolarHBondContact O-N 3.39Å; K100-S104 VanDerWaalsContact O-N 3.08Å
101	S	84.4	Confident	77.6	Confident	64 Å²	64	66.2 Å²	66.2	45%	0.448	37%	0.365	S	S	.	.	H	α-helix	trans	-56.7	-57.6	175.6	-160.8	0	0	0	0	110.8	A97 V98 N103 S104 D105	A97-S101 PolarHBondContact O-N 3.43Å; V98-S101 WeakPolarHBondContact O-CB 3.37Å; V98-S101 PolarHBondContact O-N 2.91Å; V98-S101 VanDerWaalsContact O-N 3.17Å; S101-N103 PolarHBondContact O-N 3.22Å; S101-N103 VanDerWaalsContact O-N 3.1Å; S101-S104 WeakPolarHBondContact O-CA 3.35Å; S101-S104 VanDerWaalsContact O-CB 3.27Å; S101-S104 WeakPolarHBondContact O-CB 3.45Å; S101-S104 PolarHBondContact O-N 2.86Å; S101-D105 VanDerWaalsContact C-OD2 3.28Å; S101-D105 PolarHBondContact O-N 3.43Å; S101-D105 VanDerWaalsContact O-OD2 3.1Å
102	I	85.6	Confident	79.8	Confident	6 Å²	6	64.8 Å²	64.8	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-59.5	-31.9	-178.8	-59.5	162.5	0	0	0	111.6	L46 K47 V50 V98 D105 V106	L46-I102 HydrophobicContact CD2-CD1 3.89Å; L46-I102 HydrophobicContact CD2-CG1 4.03Å; L46-I102 HydrophobicContact CG-CD1 3.81Å; L46-I102 HydrophobicContact CG-CG1 4.44Å; K47-I102 HydrophobicContact CB-CG2 3.75Å; K47-I102 HydrophobicContact CG-CG2 4.45Å; V50-I102 HydrophobicContact CB-CD1 4.15Å; V50-I102 HydrophobicContact CG2-CD1 3.67Å; V98-I102 HydrophobicContact CG1-CD1 3.68Å; V98-I102 HydrophobicContact CG1-CG1 4.35Å; V98-I102 WeakPolarHBondContact O-CG1 3.49Å; V98-I102 PolarHBondContact O-N 3.03Å; I102-D105 WeakPolarHBondContact CA-OD2 3.32Å; I102-V106 HydrophobicContact CG2-CG2 4.11Å; I102-V106 VanDerWaalsContact O-CB 3.23Å; I102-V106 WeakPolarHBondContact O-CB 3.46Å; I102-V106 WeakPolarHBondContact O-CG2 3.38Å; I102-V106 PolarHBondContact O-N 3.02Å
103	N	84.1	Confident	81.9	Confident	58 Å²	58	57.1 Å²	57.1	31%	0.31	32%	0.324	S	S	.	.	H	α-helix	trans	-69.5	-33.4	174.1	-78.9	-46.6	0	0	0	113.3	K47 I99 K100 S101 Q107	K47-N103 WeakPolarHBondContact CE-OD1 3.28Å; K47-N103 PolarHBondContact NZ-OD1 2.99Å; I99-N103 VanDerWaalsContact CG2-ND2 3.35Å; I99-N103 WeakPolarHBondContact CG2-ND2 3.38Å; I99-N103 WeakPolarHBondContact O-CB 3.43Å; I99-N103 PolarHBondContact O-N 3.12Å; I99-N103 VanDerWaalsContact O-N 3.09Å; I99-N103 PolarHBondContact O-ND2 3.13Å; K100-N103 PolarHBondContact O-N 3.04Å; S101-N103 PolarHBondContact O-N 3.22Å; S101-N103 VanDerWaalsContact O-N 3.1Å; N103-Q107 WeakPolarHBondContact O-CB 3.46Å; N103-Q107 PolarHBondContact O-N 3.17Å
104	S	87.7	Confident	83.7	Confident	55 Å²	55	55.9 Å²	55.9	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-65.5	-55.4	169.7	-156.5	0	0	0	0	109.3	K100 S101 V106 Q107 D108	K100-S104 PolarHBondContact O-N 3.39Å; K100-S104 VanDerWaalsContact O-N 3.08Å; S101-S104 WeakPolarHBondContact O-CA 3.35Å; S101-S104 VanDerWaalsContact O-CB 3.27Å; S101-S104 WeakPolarHBondContact O-CB 3.45Å; S101-S104 PolarHBondContact O-N 2.86Å; S104-V106 VanDerWaalsContact C-N 3.25Å; S104-V106 PolarHBondContact O-N 3.31Å; S104-V106 VanDerWaalsContact O-N 3.14Å; S104-Q107 CarbonylContact O-C 3.56Å; S104-Q107 WeakPolarHBondContact O-CA 3.33Å; S104-Q107 WeakPolarHBondContact O-CB 3.5Å; S104-Q107 PolarHBondContact O-N 3.24Å; S104-D108 VanDerWaalsContact C-OD2 3.29Å; S104-D108 PolarHBondContact O-N 2.75Å; S104-D108 VanDerWaalsContact O-OD2 3.08Å; S104-D108 PolarHBondContact OG-OD2 3.08Å
105	D	89.5	Confident	84.9	Confident	62 Å²	62	56.4 Å²	56.4	33%	0.332	31%	0.308	S	S	.	.	H	α-helix	trans	-56.2	-39.6	-176.8	-47.5	-36.6	0	0	0	112	L43 S101 I102 L109	L43-D105 HydrophobicContact CD1-CB 3.82Å; L43-D105 HydrophobicContact CD2-CB 4.11Å; S101-D105 VanDerWaalsContact C-OD2 3.28Å; S101-D105 PolarHBondContact O-N 3.43Å; S101-D105 VanDerWaalsContact O-OD2 3.1Å; I102-D105 WeakPolarHBondContact CA-OD2 3.32Å; D105-L109 WeakPolarHBondContact O-CB 3.32Å; D105-L109 PolarHBondContact O-N 2.82Å
106	V	89.5	Confident	86	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.03	30%	0.3	C	S	.	.	H	α-helix	trans	-68.9	-30.4	174.4	167.1	0	0	0	0	113.1	L40 L43 Y44 I102 S104 A110	L40-V106 HydrophobicContact CD1-CG1 4.2Å; L43-V106 HydrophobicContact CB-CG2 3.56Å; L43-V106 HydrophobicContact CD1-CG2 4.26Å; L43-V106 HydrophobicContact CG-CG2 4.48Å; Y44-V106 HydrophobicContact CD1-CG1 4.47Å; Y44-V106 HydrophobicContact CE1-CG1 3.66Å; I102-V106 HydrophobicContact CG2-CG2 4.11Å; I102-V106 VanDerWaalsContact O-CB 3.23Å; I102-V106 WeakPolarHBondContact O-CB 3.46Å; I102-V106 WeakPolarHBondContact O-CG2 3.38Å; I102-V106 PolarHBondContact O-N 3.02Å; S104-V106 VanDerWaalsContact C-N 3.25Å; S104-V106 PolarHBondContact O-N 3.31Å; S104-V106 VanDerWaalsContact O-N 3.14Å; V106-A110 WeakPolarHBondContact O-CB 3.49Å; V106-A110 PolarHBondContact O-N 3.32Å
107	Q	87.7	Confident	86.9	Confident	122 Å²	122	55.7 Å²	55.7	57%	0.57	30%	0.297	S	S	*	.	H	α-helix	trans	-77.6	-50.8	176.6	179.8	170	-25.6	0	0	110.2	N103 S104 L109 A110 E111	N103-Q107 WeakPolarHBondContact O-CB 3.46Å; N103-Q107 PolarHBondContact O-N 3.17Å; S104-Q107 CarbonylContact O-C 3.56Å; S104-Q107 WeakPolarHBondContact O-CA 3.33Å; S104-Q107 WeakPolarHBondContact O-CB 3.5Å; S104-Q107 PolarHBondContact O-N 3.24Å; Q107-L109 PolarHBondContact O-N 3.3Å; Q107-A110 CarbonylContact O-C 3.57Å; Q107-A110 PolarHBondContact O-N 3.15Å; Q107-A110 VanDerWaalsContact O-N 3.14Å; Q107-E111 PolarHBondContact O-N 2.97Å
108	D	88.6	Confident	87.1	Confident	85 Å²	85	54.6 Å²	54.6	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-48.8	-177.8	-56.5	-31.3	0	0	0	110.7	S104 A110 E111 D112	S104-D108 VanDerWaalsContact C-OD2 3.29Å; S104-D108 PolarHBondContact O-N 2.75Å; S104-D108 VanDerWaalsContact O-OD2 3.08Å; S104-D108 PolarHBondContact OG-OD2 3.08Å; D108-A110 VanDerWaalsContact C-N 3.34Å; D108-A110 PolarHBondContact O-N 2.92Å; D108-E111 WeakPolarHBondContact O-CB 3.11Å; D108-E111 PolarHBondContact O-N 3.33Å; D108-D112 PolarHBondContact O-N 3.36Å; D108-D112 VanDerWaalsContact O-N 3.09Å
109	L	92.8	Very high	87.5	Confident	28 Å²	28	51.7 Å²	51.7	15%	0.147	27%	0.267	C	S	.	.	H	α-helix	trans	-68.4	-30.4	176.8	-174.6	61.2	0	0	0	113.1	K36 D39 L40 L43 D105 Q107 I113	K36-L109 HydrophobicContact CB-CD1 3.92Å; K36-L109 HydrophobicContact CD-CD1 4.46Å; K36-L109 HydrophobicContact CG-CD1 3.98Å; D39-L109 HydrophobicContact CB-CD2 3.75Å; L40-L109 HydrophobicContact CB-CD2 3.96Å; L40-L109 HydrophobicContact CB-CG 4.4Å; L43-L109 HydrophobicContact CD1-CD2 3.92Å; D105-L109 WeakPolarHBondContact O-CB 3.32Å; D105-L109 PolarHBondContact O-N 2.82Å; Q107-L109 PolarHBondContact O-N 3.3Å; L109-I113 HydrophobicContact CG-CD1 4.11Å; L109-I113 WeakPolarHBondContact O-CB 3.46Å; L109-I113 WeakPolarHBondContact O-CD1 3.27Å; L109-I113 WeakPolarHBondContact O-CG1 3.47Å; L109-I113 PolarHBondContact O-N 3.46Å; L109-I113 VanDerWaalsContact O-N 3.07Å
110	A	88.8	Confident	87.8	Confident	13 Å²	13	51.7 Å²	51.7	11%	0.107	27%	0.267	C	S	.	.	H	α-helix	trans	-76.2	-23.2	175	0	0	0	0	0	112.7	L40 V106 Q107 D108 R114	L40-A110 HydrophobicContact CD1-CB 4.23Å; L40-A110 HydrophobicContact CD2-CB 4.33Å; V106-A110 WeakPolarHBondContact O-CB 3.49Å; V106-A110 PolarHBondContact O-N 3.32Å; Q107-A110 CarbonylContact O-C 3.57Å; Q107-A110 PolarHBondContact O-N 3.15Å; Q107-A110 VanDerWaalsContact O-N 3.14Å; D108-A110 VanDerWaalsContact C-N 3.34Å; D108-A110 PolarHBondContact O-N 2.92Å; A110-R114 VanDerWaalsContact O-CG 3.25Å; A110-R114 WeakPolarHBondContact O-CG 3.48Å; A110-R114 PolarHBondContact O-N 3.25Å; A110-R114 PolarHBondContact O-NE 3.08Å
111	E	88.8	Confident	87.5	Confident	89 Å²	89	49.2 Å²	49.2	42%	0.416	26%	0.261	S	S	.	.	H	α-helix	trans	-68.6	-57	168.4	-153.8	130.9	142.1	0	0	110.4	Q107 D108 I113 R114 D115	Q107-E111 PolarHBondContact O-N 2.97Å; D108-E111 WeakPolarHBondContact O-CB 3.11Å; D108-E111 PolarHBondContact O-N 3.33Å; E111-I113 VanDerWaalsContact C-N 3.3Å; E111-I113 PolarHBondContact O-N 2.68Å; E111-R114 WeakPolarHBondContact O-CA 3.44Å; E111-R114 WeakPolarHBondContact O-CB 3.16Å; E111-R114 PolarHBondContact O-N 2.83Å; E111-R114 IonicContact OE2-CZ 2.78Å; E111-R114 IonicContact OE2-NH2 3.29Å; E111-R114 PolarHBondContact OE2-NH2 2.93Å; E111-D115 PolarHBondContact O-N 3.3Å
112	D	92.1	Very high	87.2	Confident	45 Å²	45	50.6 Å²	50.6	24%	0.241	26%	0.263	C	S	.	.	H	α-helix	trans	-51.4	-43.6	176.8	-174.7	-18	0	0	0	113	Y14 K36 D108 R114 D115 L116	Y14-D112 WeakPolarHBondContact CE1-OD1 3.47Å; Y14-D112 PolarHBondContact OH-OD1 3.23Å; K36-D112 WeakPolarHBondContact CD-OD1 3.28Å; K36-D112 WeakPolarHBondContact CE-OD1 3.47Å; K36-D112 IonicContact NZ-OD1 3.34Å; K36-D112 PolarHBondContact NZ-OD1 2.94Å; K36-D112 IonicContact NZ-OD2 2.85Å; K36-D112 PolarHBondContact NZ-OD2 3.48Å; D108-D112 PolarHBondContact O-N 3.36Å; D108-D112 VanDerWaalsContact O-N 3.09Å; D112-R114 PolarHBondContact O-N 3Å; D112-D115 PolarHBondContact O-N 3.5Å; D112-L116 WeakPolarHBondContact O-CB 3.47Å; D112-L116 PolarHBondContact O-N 3.29Å
113	I	92.5	Very high	86.9	Confident	10 Å²	10	50.4 Å²	50.4	5%	0.051	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-42.5	172.8	-72.8	164	0	0	0	112.6	L33 K36 R37 L40 L109 E111 E117	L33-I113 HydrophobicContact CD1-CG2 3.91Å; K36-I113 HydrophobicContact CB-CD1 3.98Å; K36-I113 HydrophobicContact CB-CG1 3.58Å; K36-I113 HydrophobicContact CD-CG1 4.47Å; R37-I113 HydrophobicContact CG-CD1 4.4Å; R37-I113 HydrophobicContact CG-CG2 4.33Å; L40-I113 HydrophobicContact CB-CD1 3.84Å; L40-I113 HydrophobicContact CD2-CD1 3.81Å; L40-I113 HydrophobicContact CG-CD1 4.37Å; L109-I113 HydrophobicContact CG-CD1 4.11Å; L109-I113 WeakPolarHBondContact O-CB 3.46Å; L109-I113 WeakPolarHBondContact O-CD1 3.27Å; L109-I113 WeakPolarHBondContact O-CG1 3.47Å; L109-I113 PolarHBondContact O-N 3.46Å; L109-I113 VanDerWaalsContact O-N 3.07Å; E111-I113 VanDerWaalsContact C-N 3.3Å; E111-I113 PolarHBondContact O-N 2.68Å; I113-E117 HydrophobicContact CG2-CG 4.41Å; I113-E117 VanDerWaalsContact O-CB 3.31Å; I113-E117 WeakPolarHBondContact O-CB 3.5Å; I113-E117 VanDerWaalsContact O-CG 3.25Å; I113-E117 WeakPolarHBondContact O-CG 3.49Å; I113-E117 PolarHBondContact O-N 3.39Å
114	R	86.9	Confident	86.1	Confident	79 Å²	79	55.4 Å²	55.4	30%	0.298	28%	0.281	S	S	.	.	H	α-helix	trans	-67.8	-39.7	179.4	-76	174.1	-70.1	164.4	6.4	111.1	A110 E111 D112 E117 T118 L541	A110-R114 VanDerWaalsContact O-CG 3.25Å; A110-R114 WeakPolarHBondContact O-CG 3.48Å; A110-R114 PolarHBondContact O-N 3.25Å; A110-R114 PolarHBondContact O-NE 3.08Å; E111-R114 WeakPolarHBondContact O-CA 3.44Å; E111-R114 WeakPolarHBondContact O-CB 3.16Å; E111-R114 PolarHBondContact O-N 2.83Å; E111-R114 IonicContact OE2-CZ 2.78Å; E111-R114 IonicContact OE2-NH2 3.29Å; E111-R114 PolarHBondContact OE2-NH2 2.93Å; D112-R114 PolarHBondContact O-N 3Å; R114-E117 PolarHBondContact O-N 3.05Å; R114-T118 WeakPolarHBondContact O-CB 3.41Å; R114-T118 PolarHBondContact O-N 2.83Å; R114-T118 PolarHBondContact O-OG1 3.36Å; R114-L541 HydrophobicContact CB-CD1 4.45Å; R114-L541 HydrophobicContact CG-CD1 3.75Å
115	D	86.3	Confident	84.4	Confident	88 Å²	88	59.6 Å²	59.6	47%	0.471	29%	0.294	S	S	.	.	H	α-helix	trans	-68.3	-42.3	-179.4	-63.7	-13.4	0	0	0	110.4	E111 D112 T118 S119	E111-D115 PolarHBondContact O-N 3.3Å; D112-D115 PolarHBondContact O-N 3.5Å; D115-T118 PolarHBondContact O-N 2.89Å; D115-S119 VanDerWaalsContact O-CB 3.31Å; D115-S119 WeakPolarHBondContact O-CB 3.38Å; D115-S119 PolarHBondContact O-N 2.96Å; D115-S119 PolarHBondContact O-OG 3.41Å
116	L	91.6	Very high	82.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.3	-40.3	173.1	-177.8	51.8	0	0	0	112.8	L10 Y14 L29 V32 L33 K36 D112 S119 L120	L10-L116 HydrophobicContact CD2-CD1 4.4Å; Y14-L116 HydrophobicContact CD2-CD1 4.12Å; Y14-L116 HydrophobicContact CE1-CD2 4.36Å; Y14-L116 HydrophobicContact CE2-CB 4.35Å; Y14-L116 HydrophobicContact CE2-CD1 3.72Å; Y14-L116 HydrophobicContact CE2-CD2 4.33Å; Y14-L116 HydrophobicContact CE2-CG 4.35Å; L29-L116 HydrophobicContact CB-CD1 4.3Å; L29-L116 HydrophobicContact CD2-CD1 3.83Å; V32-L116 HydrophobicContact CB-CD2 4.29Å; V32-L116 HydrophobicContact CG1-CD2 3.81Å; L33-L116 HydrophobicContact CB-CD2 3.76Å; L33-L116 HydrophobicContact CB-CG 4.13Å; L33-L116 HydrophobicContact CD1-CD2 4.49Å; L33-L116 HydrophobicContact CD1-CG 4.5Å; K36-L116 HydrophobicContact CD-CD2 4.32Å; D112-L116 WeakPolarHBondContact O-CB 3.47Å; D112-L116 PolarHBondContact O-N 3.29Å; L116-S119 PolarHBondContact O-N 3.46Å; L116-L120 HydrophobicContact CD1-CD1 4Å; L116-L120 HydrophobicContact CD1-CG 4.18Å; L116-L120 HydrophobicContact CG-CD1 4.13Å; L116-L120 WeakPolarHBondContact O-CB 3.28Å; L116-L120 PolarHBondContact O-N 3.19Å
117	E	90.5	Very high	79.5	Confident	63 Å²	63	65.2 Å²	65.2	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-43.8	173.2	-80.4	177.6	174.3	0	0	111.7	L33 R37 I113 R114 L121	L33-E117 HydrophobicContact CD1-CG 3.65Å; L33-E117 HydrophobicContact CD2-CG 3.73Å; L33-E117 HydrophobicContact CG-CG 4.35Å; R37-E117 IonicContact CZ-OE1 3.5Å; R37-E117 VanDerWaalsContact CZ-OE1 3.29Å; R37-E117 IonicContact NE-OE1 3.68Å; R37-E117 PolarHBondContact NE-OE1 3.34Å; R37-E117 IonicContact NH2-OE1 2.74Å; R37-E117 PolarHBondContact NH2-OE1 2.77Å; I113-E117 HydrophobicContact CG2-CG 4.41Å; I113-E117 VanDerWaalsContact O-CB 3.31Å; I113-E117 WeakPolarHBondContact O-CB 3.5Å; I113-E117 VanDerWaalsContact O-CG 3.25Å; I113-E117 WeakPolarHBondContact O-CG 3.49Å; I113-E117 PolarHBondContact O-N 3.39Å; R114-E117 PolarHBondContact O-N 3.05Å; E117-L121 WeakPolarHBondContact O-CB 3.35Å; E117-L121 PolarHBondContact O-N 3.18Å
118	T	81	Confident	76.8	Confident	34 Å²	34	64.5 Å²	64.5	21%	0.209	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-44	177.9	-55.9	0	0	0	0	111.2	R114 D115 L121 L122 D539	R114-T118 WeakPolarHBondContact O-CB 3.41Å; R114-T118 PolarHBondContact O-N 2.83Å; R114-T118 PolarHBondContact O-OG1 3.36Å; D115-T118 PolarHBondContact O-N 2.89Å; T118-L121 WeakPolarHBondContact O-CB 3.4Å; T118-L121 PolarHBondContact O-N 3.04Å; T118-L122 HydrophobicContact CG2-CD1 4.37Å; T118-L122 PolarHBondContact O-N 3.39Å; T118-D539 WeakPolarHBondContact CG2-OD1 3.08Å
119	S	85.3	Confident	73.9	Confident	9 Å²	9	66 Å²	66	6%	0.063	35%	0.346	C	S	.	.	H	α-helix	trans	-64.5	-43.9	177.9	-54.9	0	0	0	0	112	Y6 L10 D115 L116 L121 L122 L123	Y6-S119 PolarHBondContact OH-OG 3.36Å; L10-S119 VanDerWaalsContact CD2-CB 3.47Å; D115-S119 VanDerWaalsContact O-CB 3.31Å; D115-S119 WeakPolarHBondContact O-CB 3.38Å; D115-S119 PolarHBondContact O-N 2.96Å; D115-S119 PolarHBondContact O-OG 3.41Å; L116-S119 PolarHBondContact O-N 3.46Å; S119-L121 VanDerWaalsContact C-N 3.3Å; S119-L121 PolarHBondContact O-N 2.73Å; S119-L122 PolarHBondContact O-N 2.91Å; S119-L123 WeakPolarHBondContact O-CB 3.32Å; S119-L123 VanDerWaalsContact O-CG 3.26Å; S119-L123 WeakPolarHBondContact O-CG 3.48Å; S119-L123 PolarHBondContact O-N 2.85Å
120	L	86.6	Confident	70.8	Confident	19 Å²	19	73.5 Å²	73.5	10%	0.099	38%	0.378	C	S	.	.	H	α-helix	trans	-64.9	-32.8	173.1	-83	166.3	0	0	0	112.5	I26 L29 K30 L33 L116 K124	I26-L120 HydrophobicContact CD1-CD2 4.39Å; I26-L120 HydrophobicContact CG2-CD2 4.15Å; L29-L120 HydrophobicContact CB-CD1 4.33Å; L29-L120 HydrophobicContact CB-CD2 3.8Å; L29-L120 HydrophobicContact CB-CG 4.26Å; L29-L120 HydrophobicContact CD1-CD2 4.47Å; K30-L120 HydrophobicContact CG-CD1 4.41Å; K30-L120 HydrophobicContact CG-CD2 4.43Å; L33-L120 HydrophobicContact CB-CD1 4.28Å; L33-L120 HydrophobicContact CD2-CD1 3.81Å; L116-L120 HydrophobicContact CD1-CD1 4Å; L116-L120 HydrophobicContact CD1-CG 4.18Å; L116-L120 HydrophobicContact CG-CD1 4.13Å; L116-L120 WeakPolarHBondContact O-CB 3.28Å; L116-L120 PolarHBondContact O-N 3.19Å; L120-K124 VanDerWaalsContact O-CB 3.22Å; L120-K124 WeakPolarHBondContact O-CB 3.44Å; L120-K124 PolarHBondContact O-N 3.21Å
121	L	78.1	Confident	68	Low	100 Å²	100	79.8 Å²	79.8	52%	0.524	41%	0.41	S	S	.	.	H	α-helix	trans	-67	-44.2	175.6	-165.6	71.8	0	0	0	111.3	E117 T118 S119 K124 H125	E117-L121 WeakPolarHBondContact O-CB 3.35Å; E117-L121 PolarHBondContact O-N 3.18Å; T118-L121 WeakPolarHBondContact O-CB 3.4Å; T118-L121 PolarHBondContact O-N 3.04Å; S119-L121 VanDerWaalsContact C-N 3.3Å; S119-L121 PolarHBondContact O-N 2.73Å; L121-K124 PolarHBondContact O-N 2.88Å; L121-H125 PolarHBondContact O-N 3.29Å; L121-H125 VanDerWaalsContact O-N 3.16Å; L121-H125 PolarHBondContact O-ND1 2.77Å
122	L	76.6	Confident	65.3	Low	93 Å²	93	84.9 Å²	84.9	49%	0.487	43%	0.434	S	S	.	.	H	α-helix	trans	-58.3	-49.2	172.9	-76.8	159	0	0	0	111.1	T118 S119 K124 H125	T118-L122 HydrophobicContact CG2-CD1 4.37Å; T118-L122 PolarHBondContact O-N 3.39Å; S119-L122 PolarHBondContact O-N 2.91Å; L122-K124 VanDerWaalsContact C-N 3.29Å; L122-K124 PolarHBondContact O-N 3.25Å; L122-H125 PolarHBondContact O-N 3.01Å
123	L	80.1	Confident	62.3	Low	1 Å²	1	91.3 Å²	91.3	1%	0.005	46%	0.462	C	S	.	.	H	α-helix	trans	-66.6	-26.5	179.8	-68	172	0	0	0	113.7	H3 Y6 A7 L10 Y22 I26 L29 S119	H3-L123 HydrophobicContact CB-CD2 4.3Å; H3-L123 WeakPolarHBondContact O-CD2 3.43Å; Y6-L123 HydrophobicContact CD1-CD1 4.5Å; Y6-L123 HydrophobicContact CD1-CD2 3.96Å; Y6-L123 HydrophobicContact CD1-CG 4.25Å; A7-L123 HydrophobicContact CB-CD1 4.03Å; A7-L123 HydrophobicContact CB-CD2 3.86Å; L10-L123 HydrophobicContact CD2-CD1 3.85Å; Y22-L123 HydrophobicContact CE2-CD2 4.18Å; Y22-L123 PolarHBondContact OH-O 2.92Å; I26-L123 HydrophobicContact CD1-CB 3.62Å; I26-L123 HydrophobicContact CD1-CD1 3.58Å; I26-L123 HydrophobicContact CD1-CG 4.12Å; L29-L123 HydrophobicContact CD1-CD1 4.28Å; S119-L123 WeakPolarHBondContact O-CB 3.32Å; S119-L123 VanDerWaalsContact O-CG 3.26Å; S119-L123 WeakPolarHBondContact O-CG 3.48Å; S119-L123 PolarHBondContact O-N 2.85Å
124	K	67.9	Low	59.2	Low	163 Å²	163	96.4 Å²	96.4	71%	0.709	50%	0.499	S	S	*	.	H	α-helix	trans	-81.5	-28.7	177.7	-170.1	174.7	-177.9	-179	0	113.7	L120 L121 L122 C126	L120-K124 VanDerWaalsContact O-CB 3.22Å; L120-K124 WeakPolarHBondContact O-CB 3.44Å; L120-K124 PolarHBondContact O-N 3.21Å; L121-K124 PolarHBondContact O-N 2.88Å; L122-K124 VanDerWaalsContact C-N 3.29Å; L122-K124 PolarHBondContact O-N 3.25Å; K124-C126 VanDerWaalsContact C-N 3.27Å; K124-C126 PolarHBondContact O-N 2.98Å
125	H	51.6	Low	56.6	Low	144 Å²	144	97.3 Å²	97.3	67%	0.667	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-6.9	-179	-79.3	82.1	0	0	0	114.3	L121 L122	L121-H125 PolarHBondContact O-N 3.29Å; L121-H125 VanDerWaalsContact O-N 3.16Å; L121-H125 PolarHBondContact O-ND1 2.77Å; L122-H125 PolarHBondContact O-N 3.01Å
126	C	41.7	Very low	53.9	Low	55 Å²	55	99.4 Å²	99.4	37%	0.372	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	29.1	-176	-65.9	0	0	0	0	114	H3 K124 P128	H3-C126 PolarHBondContact CE1-SG 3.31Å; H3-C126 PolarHBondContact NE2-SG 3.41Å; H3-C126 VanDerWaalsContact NE2-SG 3.36Å; K124-C126 VanDerWaalsContact C-N 3.27Å; K124-C126 PolarHBondContact O-N 2.98Å; C126-P128 WeakPolarHBondContact O-CD 3.49Å
127	Q	34.2	Very low	50.9	Low	130 Å²	130	106 Å²	106	61%	0.607	57%	0.573	S	S	*	*			trans	-87.5	108.5	167.2	-75.4	-93.8	-68.3	0	0	110.2
128	P	31.3	Very low	48.1	Very low	106 Å²	106	111 Å²	111	69%	0.688	59%	0.593	S	S	*	*			trans	-76.7	129	164.3	8.4	9.3	0	0	0	108.2	C126 F130	C126-P128 WeakPolarHBondContact O-CD 3.49Å; P128-F130 PolarHBondContact O-N 3.38Å
129	S	26.7	Very low	45.6	Very low	117 Å²	117	115.3 Å²	115.3	82%	0.818	63%	0.625	S	S	*	*			trans	-55.3	106.5	-177.7	51.3	0	0	0	0	113.3
130	F	29	Very low	43.2	Very low	186 Å²	186	119.7 Å²	119.7	82%	0.816	65%	0.651	S	S	*	*			trans	-134.8	96.7	161.3	-99.7	-89.6	0	0	0	108.3	P128	P128-F130 PolarHBondContact O-N 3.38Å
131	D	28.2	Very low	41	Very low	145 Å²	145	123.8 Å²	123.8	78%	0.775	67%	0.674	S	S	*	*			trans	168.8	79.5	136.4	-85.7	-14.2	0	0	0	110.8
132	Q	32.9	Very low	39.1	Very low	195 Å²	195	129.2 Å²	129.2	91%	0.911	69%	0.687	S	S	*	*			trans	-136.2	67.3	157.4	-77.4	-166.5	-6.4	0	0	109.7	S134	Q132-S134 PolarHBondContact O-N 3.17Å
133	Q	29.2	Very low	37.4	Very low	180 Å²	180	126.7 Å²	126.7	84%	0.841	68%	0.683	S	S	*	*			trans	-82.7	75.5	165.6	-70.3	-170.7	8.8	0	0	111
134	S	28.5	Very low	36	Very low	118 Å²	118	131.2 Å²	131.2	83%	0.825	71%	0.707	S	S	*	*			trans	177.2	61.5	153.4	59.7	0	0	0	0	114.8	Q132	Q132-S134 PolarHBondContact O-N 3.17Å
135	A	31	Very low	35.8	Very low	97 Å²	97	127.1 Å²	127.1	80%	0.802	70%	0.7	S	S	*	*			trans	-159.2	82.9	161.6	0	0	0	0	0	112.7
136	V	28.9	Very low	36.7	Very low	132 Å²	132	122.3 Å²	122.3	80%	0.8	68%	0.678	S	S	*	*			trans	-44.9	141.3	164.9	166.4	0	0	0	0	113
137	I	30.5	Very low	38.3	Very low	140 Å²	140	126 Å²	126	72%	0.718	69%	0.69	S	S	*	*			trans	86.5	87.5	169.4	-58.7	148.6	0	0	0	118.2
138	K	31.2	Very low	40.3	Very low	166 Å²	166	125.5 Å²	125.5	72%	0.722	69%	0.688	S	S	*	*				156.3	127.8	118.2	-93.2	154.7	-173.5	179.1	0	113.6	T140	K138-T140 PolarHBondContact O-N 2.9Å
139	S	28.5	Very low	42.5	Very low	126 Å²	126	127.2 Å²	127.2	88%	0.881	68%	0.681	S	S	*	*	S	Bend	trans	-89.8	73	-178.9	52.6	0	0	0	0	112.6
140	T	34.7	Very low	45.2	Very low	100 Å²	100	123.5 Å²	123.5	61%	0.613	65%	0.651	S	S	*	*			trans	-145.4	1.1	179.9	38.5	0	0	0	0	116.1	K138 R142	K138-T140 PolarHBondContact O-N 2.9Å; T140-R142 PolarHBondContact O-N 2.87Å
141	N	39.7	Very low	47.8	Very low	106 Å²	106	117.7 Å²	117.7	57%	0.567	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	29.1	-152.2	-64.4	14.3	0	0	0	118.1
142	R	37.8	Very low	50.3	Low	214 Å²	214	115.6 Å²	115.6	81%	0.808	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-31.9	171.9	-87.1	-168.9	178.7	-171.7	0.9	114.3	T140	T140-R142 PolarHBondContact O-N 2.87Å
143	G	42.3	Very low	52.8	Low	39 Å²	39	107.6 Å²	107.6	40%	0.402	58%	0.58	S	S	.	*	H	α-helix	trans	-68.3	-50.8	177.3	0	0	0	0	0	112.1	S145 I146 E147	G143-S145 PolarHBondContact O-N 2.86Å; G143-S145 VanDerWaalsContact O-N 3.11Å; G143-I146 WeakPolarHBondContact O-CB 3.38Å; G143-I146 PolarHBondContact O-N 3.16Å; G143-E147 PolarHBondContact O-N 2.81Å
144	D	49.6	Very low	55.5	Low	96 Å²	96	102.7 Å²	102.7	51%	0.513	56%	0.557	S	S	.	*	H	α-helix	trans	-54.9	-35.1	-176.2	-54.6	8.1	0	0	0	113	E147 Q148	D144-E147 PolarHBondContact O-N 3.01Å; D144-Q148 VanDerWaalsContact O-CB 3.27Å; D144-Q148 WeakPolarHBondContact O-CB 3.49Å; D144-Q148 PolarHBondContact O-N 2.97Å
145	S	64.9	Low	58.4	Low	78 Å²	78	103.3 Å²	103.3	55%	0.545	55%	0.545	S	S	.	.	H	α-helix	trans	-70.1	-31.4	177.9	-176.9	0	0	0	0	113.2	G143 R149	G143-S145 PolarHBondContact O-N 2.86Å; G143-S145 VanDerWaalsContact O-N 3.11Å; S145-R149 WeakPolarHBondContact O-CB 3.38Å; S145-R149 PolarHBondContact O-N 3.25Å
146	I	70.8	Confident	60.8	Low	43 Å²	43	100.4 Å²	100.4	22%	0.221	52%	0.521	C	S	.	.	H	α-helix	trans	-75.7	-43.3	175.4	-64.3	179.2	0	0	0	109.3	G143 R149 L150 V206 N210	G143-I146 WeakPolarHBondContact O-CB 3.38Å; G143-I146 PolarHBondContact O-N 3.16Å; I146-R149 PolarHBondContact O-N 3.17Å; I146-L150 HydrophobicContact CG2-CD1 4.38Å; I146-L150 WeakPolarHBondContact O-CG 3.43Å; I146-L150 PolarHBondContact O-N 3.27Å; I146-V206 HydrophobicContact CG2-CG1 3.66Å; I146-N210 HydrophobicContact CG2-CB 4.19Å
147	E	74	Confident	63.5	Low	133 Å²	133	94.8 Å²	94.8	62%	0.621	49%	0.486	S	S	*	.	H	α-helix	trans	-66.3	-40.4	178.9	-170.9	168.4	-160.8	0	0	112.5	G143 D144 R149 L150 T151	G143-E147 PolarHBondContact O-N 2.81Å; D144-E147 PolarHBondContact O-N 3.01Å; E147-R149 VanDerWaalsContact C-N 3.32Å; E147-R149 PolarHBondContact O-N 2.97Å; E147-L150 PolarHBondContact O-N 2.86Å; E147-T151 WeakPolarHBondContact O-CB 3.22Å; E147-T151 PolarHBondContact O-N 2.75Å; E147-T151 PolarHBondContact O-OG1 3.23Å
148	Q	75.8	Confident	66.1	Low	119 Å²	119	91.4 Å²	91.4	56%	0.556	47%	0.47	S	S	*	.	H	α-helix	trans	-58.7	-45.1	170.7	-178	179.8	-17.3	0	0	110.9	D144 T151 E152	D144-Q148 VanDerWaalsContact O-CB 3.27Å; D144-Q148 WeakPolarHBondContact O-CB 3.49Å; D144-Q148 PolarHBondContact O-N 2.97Å; Q148-T151 WeakPolarHBondContact O-CB 3.27Å; Q148-T151 PolarHBondContact O-N 3.49Å; Q148-T151 VanDerWaalsContact O-N 3.13Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.26Å; Q148-E152 PolarHBondContact NE2-OE1 3.24Å; Q148-E152 WeakPolarHBondContact O-CG 3.37Å; Q148-E152 PolarHBondContact O-N 3.33Å
149	R	78.5	Confident	68.7	Low	142 Å²	142	88.2 Å²	88.2	54%	0.536	46%	0.459	S	S	.	.	H	α-helix	trans	-69.4	-33.4	-179.6	-164.1	167.9	-174.7	171.5	-0.1	112.9	S145 I146 E147 T151 L153 V206	S145-R149 WeakPolarHBondContact O-CB 3.38Å; S145-R149 PolarHBondContact O-N 3.25Å; I146-R149 PolarHBondContact O-N 3.17Å; E147-R149 VanDerWaalsContact C-N 3.32Å; E147-R149 PolarHBondContact O-N 2.97Å; R149-T151 VanDerWaalsContact C-N 3.35Å; R149-L153 WeakPolarHBondContact O-CB 3.35Å; R149-L153 VanDerWaalsContact O-CG 3.26Å; R149-L153 WeakPolarHBondContact O-CG 3.3Å; R149-L153 PolarHBondContact O-N 2.83Å; R149-V206 HydrophobicContact CB-CG1 4.46Å; R149-V206 HydrophobicContact CG-CG2 4.33Å
150	L	83.3	Confident	71.4	Confident	38 Å²	38	83.3 Å²	83.3	20%	0.199	42%	0.422	C	S	.	.	H	α-helix	trans	-64.8	-39.8	168.6	-73.6	173.9	0	0	0	111.4	I146 E147 L153 Q154 V206 K207	I146-L150 HydrophobicContact CG2-CD1 4.38Å; I146-L150 WeakPolarHBondContact O-CG 3.43Å; I146-L150 PolarHBondContact O-N 3.27Å; E147-L150 PolarHBondContact O-N 2.86Å; L150-L153 PolarHBondContact O-N 2.75Å; L150-Q154 WeakPolarHBondContact O-CB 3.45Å; L150-Q154 PolarHBondContact O-N 3.21Å; L150-V206 HydrophobicContact CD1-CG1 4.46Å; L150-V206 HydrophobicContact CD2-CB 3.83Å; L150-V206 HydrophobicContact CD2-CG1 3.67Å; L150-V206 HydrophobicContact CG-CB 4.37Å; L150-V206 HydrophobicContact CG-CG1 3.64Å; L150-K207 HydrophobicContact CD1-CG 4.38Å; L150-K207 HydrophobicContact CD2-CG 4.01Å
151	T	83.5	Confident	73.9	Confident	64 Å²	64	80.9 Å²	80.9	39%	0.393	41%	0.406	S	S	.	.	H	α-helix	trans	-65.7	-40.9	177.2	-57.9	0	0	0	0	111.8	E147 Q148 R149 Q154 K155	E147-T151 WeakPolarHBondContact O-CB 3.22Å; E147-T151 PolarHBondContact O-N 2.75Å; E147-T151 PolarHBondContact O-OG1 3.23Å; Q148-T151 WeakPolarHBondContact O-CB 3.27Å; Q148-T151 PolarHBondContact O-N 3.49Å; Q148-T151 VanDerWaalsContact O-N 3.13Å; R149-T151 VanDerWaalsContact C-N 3.35Å; T151-Q154 PolarHBondContact O-N 2.69Å; T151-K155 WeakPolarHBondContact O-CG 3.1Å; T151-K155 PolarHBondContact O-N 3.2Å
152	E	81.8	Confident	76.2	Confident	101 Å²	101	82.8 Å²	82.8	47%	0.472	41%	0.411	S	S	.	.	H	α-helix	trans	-65.1	-43.9	174.4	-72.9	169.6	-169.5	0	0	112.2	Q148 K155 A156	Q148-E152 WeakPolarHBondContact CG-OE1 3.26Å; Q148-E152 PolarHBondContact NE2-OE1 3.24Å; Q148-E152 WeakPolarHBondContact O-CG 3.37Å; Q148-E152 PolarHBondContact O-N 3.33Å; E152-K155 PolarHBondContact O-N 2.71Å; E152-A156 PolarHBondContact O-N 3.1Å
153	L	84.7	Confident	78.5	Confident	28 Å²	28	75.4 Å²	75.4	15%	0.147	39%	0.39	C	S	.	.	H	α-helix	trans	-66	-37.2	175.3	-71.8	170	0	0	0	112.4	R149 L150 A156 L157 I199 Q202 M203 V206	R149-L153 WeakPolarHBondContact O-CB 3.35Å; R149-L153 VanDerWaalsContact O-CG 3.26Å; R149-L153 WeakPolarHBondContact O-CG 3.3Å; R149-L153 PolarHBondContact O-N 2.83Å; L150-L153 PolarHBondContact O-N 2.75Å; L153-A156 PolarHBondContact O-N 2.85Å; L153-L157 WeakPolarHBondContact O-CB 3.5Å; L153-L157 PolarHBondContact O-N 3.23Å; L153-I199 HydrophobicContact CB-CG2 4.41Å; L153-I199 HydrophobicContact CD2-CG2 4.31Å; L153-I199 VanDerWaalsContact O-CG2 3.24Å; L153-I199 WeakPolarHBondContact O-CG2 3.39Å; L153-Q202 HydrophobicContact CD1-CB 3.87Å; L153-Q202 HydrophobicContact CD2-CB 3.69Å; L153-Q202 HydrophobicContact CD2-CG 4.42Å; L153-Q202 HydrophobicContact CG-CB 4.46Å; L153-M203 HydrophobicContact CB-CG 3.6Å; L153-M203 HydrophobicContact CB-SD 4.46Å; L153-M203 HydrophobicContact CD1-CG 4.1Å; L153-M203 HydrophobicContact CG-CG 4.43Å; L153-V206 HydrophobicContact CD1-CB 4.42Å; L153-V206 HydrophobicContact CD1-CG2 3.8Å
154	Q	86.7	Confident	80.9	Confident	76 Å²	76	77.3 Å²	77.3	36%	0.355	39%	0.385	S	S	.	.	H	α-helix	trans	-62.9	-46.6	174.1	-175.6	61.9	58.2	0	0	111.1	L150 T151 A156 L157 D158 M203	L150-Q154 WeakPolarHBondContact O-CB 3.45Å; L150-Q154 PolarHBondContact O-N 3.21Å; T151-Q154 PolarHBondContact O-N 2.69Å; Q154-A156 VanDerWaalsContact C-N 3.31Å; Q154-A156 PolarHBondContact O-N 2.83Å; Q154-L157 WeakPolarHBondContact O-CB 3.45Å; Q154-L157 PolarHBondContact O-N 3.17Å; Q154-L157 VanDerWaalsContact O-N 3.11Å; Q154-D158 PolarHBondContact NE2-OD1 3.47Å; Q154-D158 PolarHBondContact O-N 2.84Å; Q154-M203 HydrophobicContact CB-CE 4.35Å; Q154-M203 VanDerWaalsContact OE1-CE 3.28Å
155	K	87.5	Confident	82.6	Confident	132 Å²	132	74.9 Å²	74.9	57%	0.574	38%	0.375	S	S	*	.	H	α-helix	trans	-57.7	-42.5	174.5	-73.3	172	-179.3	176.9	0	112.2	T151 E152 D158 I159	T151-K155 WeakPolarHBondContact O-CG 3.1Å; T151-K155 PolarHBondContact O-N 3.2Å; E152-K155 PolarHBondContact O-N 2.71Å; K155-D158 PolarHBondContact O-N 2.77Å; K155-I159 WeakPolarHBondContact O-CG1 3.33Å; K155-I159 PolarHBondContact O-N 3.46Å; K155-I159 VanDerWaalsContact O-N 3.14Å
156	A	82.2	Confident	83.6	Confident	35 Å²	35	72.2 Å²	72.2	29%	0.289	36%	0.36	S	S	.	.	H	α-helix	trans	-64.7	-39.3	175.9	0	0	0	0	0	112.4	E152 L153 Q154 I159 E160 I199	E152-A156 PolarHBondContact O-N 3.1Å; L153-A156 PolarHBondContact O-N 2.85Å; Q154-A156 VanDerWaalsContact C-N 3.31Å; Q154-A156 PolarHBondContact O-N 2.83Å; A156-I159 PolarHBondContact O-N 3.01Å; A156-E160 PolarHBondContact O-N 3.43Å; A156-E160 VanDerWaalsContact O-N 3.16Å; A156-I199 HydrophobicContact CB-CD1 3.96Å; A156-I199 HydrophobicContact CB-CG1 4.45Å; A156-I199 HydrophobicContact CB-CG2 4.46Å
157	L	86.1	Confident	84.4	Confident	14 Å²	14	70.2 Å²	70.2	7%	0.073	35%	0.35	C	S	.	.	H	α-helix	trans	-62.4	-44.3	176	-179.4	59.6	0	0	0	111.3	L153 Q154 I159 E160 L161 I196 I199 R200 M203	L153-L157 WeakPolarHBondContact O-CB 3.5Å; L153-L157 PolarHBondContact O-N 3.23Å; Q154-L157 WeakPolarHBondContact O-CB 3.45Å; Q154-L157 PolarHBondContact O-N 3.17Å; Q154-L157 VanDerWaalsContact O-N 3.11Å; L157-I159 PolarHBondContact O-N 3.15Å; L157-E160 PolarHBondContact O-N 2.97Å; L157-L161 HydrophobicContact CD1-CD1 4.25Å; L157-L161 HydrophobicContact CD1-CG 4.34Å; L157-L161 HydrophobicContact CG-CD1 3.96Å; L157-L161 HydrophobicContact CG-CG 4.5Å; L157-L161 WeakPolarHBondContact O-CB 3.47Å; L157-L161 VanDerWaalsContact O-CG 3.26Å; L157-L161 WeakPolarHBondContact O-CG 3.33Å; L157-L161 PolarHBondContact O-N 3.49Å; L157-I196 HydrophobicContact CD1-CB 4.42Å; L157-I196 HydrophobicContact CD1-CG1 4.32Å; L157-I196 HydrophobicContact CD1-CG2 3.92Å; L157-I199 HydrophobicContact CB-CG2 3.8Å; L157-R200 HydrophobicContact CD1-CG 4.18Å; L157-R200 HydrophobicContact CD2-CG 4.49Å; L157-M203 HydrophobicContact CD2-SD 3.81Å
158	D	85.5	Confident	85.2	Confident	70 Å²	70	67.7 Å²	67.7	37%	0.374	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-40.5	-179.9	-62.4	-23.1	0	0	0	111.6	Q154 K155 L161 Q162	Q154-D158 PolarHBondContact NE2-OD1 3.47Å; Q154-D158 PolarHBondContact O-N 2.84Å; K155-D158 PolarHBondContact O-N 2.77Å; D158-L161 PolarHBondContact O-N 3.4Å; D158-Q162 WeakPolarHBondContact O-CG 3.43Å; D158-Q162 PolarHBondContact O-N 2.89Å
159	I	84.4	Confident	85.8	Confident	98 Å²	98	69.1 Å²	69.1	50%	0.503	34%	0.339	S	S	.	.	H	α-helix	trans	-60.8	-51	174.7	-68.6	164.4	0	0	0	110.9	K155 A156 L157 L161 Q162 V163	K155-I159 WeakPolarHBondContact O-CG1 3.33Å; K155-I159 PolarHBondContact O-N 3.46Å; K155-I159 VanDerWaalsContact O-N 3.14Å; A156-I159 PolarHBondContact O-N 3.01Å; L157-I159 PolarHBondContact O-N 3.15Å; I159-L161 VanDerWaalsContact C-N 3.32Å; I159-L161 PolarHBondContact O-N 3.07Å; I159-Q162 WeakPolarHBondContact O-CB 3.32Å; I159-Q162 PolarHBondContact O-N 2.84Å; I159-Q162 VanDerWaalsContact O-N 3.11Å; I159-V163 WeakPolarHBondContact O-CG2 3.37Å; I159-V163 PolarHBondContact O-N 3.24Å
160	E	86.1	Confident	86.2	Confident	23 Å²	23	64.5 Å²	64.5	11%	0.107	33%	0.325	C	S	.	.	H	α-helix	trans	-70.2	-28.7	-177.9	-64.6	-64	162	0	0	112.6	A156 L157 V163 R164 K195 I196 I199	A156-E160 PolarHBondContact O-N 3.43Å; A156-E160 VanDerWaalsContact O-N 3.16Å; L157-E160 PolarHBondContact O-N 2.97Å; E160-V163 PolarHBondContact O-N 2.92Å; E160-R164 WeakPolarHBondContact O-CB 3.43Å; E160-R164 PolarHBondContact O-N 2.99Å; E160-K195 HydrophobicContact CG-CB 3.99Å; E160-K195 HydrophobicContact CG-CD 3.99Å; E160-K195 WeakPolarHBondContact OE1-CD 3.4Å; E160-K195 WeakPolarHBondContact OE1-CE 3.17Å; E160-K195 IonicContact OE1-NZ 3.61Å; E160-K195 PolarHBondContact OE1-NZ 2.66Å; E160-K195 VanDerWaalsContact OE2-CD 3.24Å; E160-K195 WeakPolarHBondContact OE2-CD 3.4Å; E160-K195 IonicContact OE2-NZ 2.62Å; E160-K195 PolarHBondContact OE2-NZ 3.36Å; E160-I196 HydrophobicContact CB-CD1 4.46Å; E160-I196 HydrophobicContact CB-CG1 3.8Å; E160-I199 HydrophobicContact CB-CD1 4.44Å; E160-I199 HydrophobicContact CG-CD1 3.9Å
161	L	87.2	Confident	86.5	Confident	50 Å²	50	64.4 Å²	64.4	26%	0.262	32%	0.324	S	S	.	.	H	α-helix	trans	-63	-39.7	168.4	-76	168.8	0	0	0	112.1	L157 D158 I159 S165 I196	L157-L161 HydrophobicContact CD1-CD1 4.25Å; L157-L161 HydrophobicContact CD1-CG 4.34Å; L157-L161 HydrophobicContact CG-CD1 3.96Å; L157-L161 HydrophobicContact CG-CG 4.5Å; L157-L161 WeakPolarHBondContact O-CB 3.47Å; L157-L161 VanDerWaalsContact O-CG 3.26Å; L157-L161 WeakPolarHBondContact O-CG 3.33Å; L157-L161 PolarHBondContact O-N 3.49Å; D158-L161 PolarHBondContact O-N 3.4Å; I159-L161 VanDerWaalsContact C-N 3.32Å; I159-L161 PolarHBondContact O-N 3.07Å; L161-S165 PolarHBondContact O-N 2.92Å; L161-I196 HydrophobicContact CD2-CD1 3.93Å; L161-I196 HydrophobicContact CG-CD1 4.32Å
162	Q	87.6	Confident	86.6	Confident	145 Å²	145	67.6 Å²	67.6	68%	0.678	33%	0.334	S	S	*	.	H	α-helix	trans	-66	-43.1	172.7	-70.8	-179.1	8.3	0	0	111.9	D158 I159 R164 S165 G166	D158-Q162 WeakPolarHBondContact O-CG 3.43Å; D158-Q162 PolarHBondContact O-N 2.89Å; I159-Q162 WeakPolarHBondContact O-CB 3.32Å; I159-Q162 PolarHBondContact O-N 2.84Å; I159-Q162 VanDerWaalsContact O-N 3.11Å; Q162-R164 VanDerWaalsContact C-N 3.34Å; Q162-R164 PolarHBondContact O-N 3.14Å; Q162-S165 PolarHBondContact O-N 3.14Å; Q162-G166 PolarHBondContact O-N 2.86Å
163	V	87.3	Confident	86.7	Confident	60 Å²	60	67.4 Å²	67.4	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-59.4	-45	175.5	176.6	0	0	0	0	110.7	I159 E160 S165 G166 A167 A192	I159-V163 WeakPolarHBondContact O-CG2 3.37Å; I159-V163 PolarHBondContact O-N 3.24Å; E160-V163 PolarHBondContact O-N 2.92Å; V163-S165 PolarHBondContact O-N 2.78Å; V163-G166 PolarHBondContact O-N 3.27Å; V163-A167 WeakPolarHBondContact O-CB 3.47Å; V163-A167 PolarHBondContact O-N 3.14Å; V163-A192 HydrophobicContact CB-CB 4.35Å; V163-A192 HydrophobicContact CG1-CB 4.03Å
164	R	91.1	Very high	86.6	Confident	78 Å²	78	68 Å²	68	29%	0.294	34%	0.341	S	S	.	.	H	α-helix	trans	-58.2	-47.3	175.2	-171.3	-171.5	69.4	175.3	3.1	111.8	E160 Q162 G166 A167 E168 Y189 A192 N193 I196	E160-R164 WeakPolarHBondContact O-CB 3.43Å; E160-R164 PolarHBondContact O-N 2.99Å; Q162-R164 VanDerWaalsContact C-N 3.34Å; Q162-R164 PolarHBondContact O-N 3.14Å; R164-G166 VanDerWaalsContact C-N 3.33Å; R164-G166 PolarHBondContact O-N 2.9Å; R164-A167 PolarHBondContact O-N 3.35Å; R164-E168 WeakPolarHBondContact O-CB 3.4Å; R164-E168 PolarHBondContact O-N 2.9Å; R164-Y189 HydrophobicContact CG-CD2 3.85Å; R164-Y189 HydrophobicContact CG-CE2 3.68Å; R164-A192 HydrophobicContact CB-CB 3.93Å; R164-N193 WeakPolarHBondContact CD-OD1 3.23Å; R164-I196 HydrophobicContact CB-CD1 4.1Å
165	S	85.9	Confident	86.2	Confident	45 Å²	45	72.9 Å²	72.9	32%	0.315	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-35.4	176.5	174.2	0	0	0	0	113.2	L161 Q162 V163 R169	L161-S165 PolarHBondContact O-N 2.92Å; Q162-S165 PolarHBondContact O-N 3.14Å; V163-S165 PolarHBondContact O-N 2.78Å; S165-R169 WeakPolarHBondContact O-CG 3.43Å; S165-R169 PolarHBondContact O-N 2.6Å; S165-R169 PolarHBondContact O-NE 2.78Å; S165-R169 VanDerWaalsContact O-NE 3.13Å; S165-R169 PolarHBondContact OG-NH2 3.21Å
166	G	85.4	Confident	85.7	Confident	23 Å²	23	72.4 Å²	72.4	24%	0.237	37%	0.374	C	S	.	.	H	α-helix	trans	-66.4	-49.9	173.9	0	0	0	0	0	111.6	Q162 V163 R164 E168 R169 L170	Q162-G166 PolarHBondContact O-N 2.86Å; V163-G166 PolarHBondContact O-N 3.27Å; R164-G166 VanDerWaalsContact C-N 3.33Å; R164-G166 PolarHBondContact O-N 2.9Å; G166-E168 VanDerWaalsContact C-N 3.33Å; G166-E168 PolarHBondContact O-N 3.44Å; G166-R169 PolarHBondContact O-N 3.22Å; G166-L170 WeakPolarHBondContact O-CG 3.46Å; G166-L170 PolarHBondContact O-N 2.8Å
167	A	88.4	Confident	85.2	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.008	38%	0.376	C	S	.	.	H	α-helix	trans	-61.6	-39.5	178	0	0	0	0	0	112.4	V163 R164 L170 I171 Q188 Y189	V163-A167 WeakPolarHBondContact O-CB 3.47Å; V163-A167 PolarHBondContact O-N 3.14Å; R164-A167 PolarHBondContact O-N 3.35Å; A167-L170 PolarHBondContact O-N 3.03Å; A167-I171 VanDerWaalsContact O-CG1 3.29Å; A167-I171 WeakPolarHBondContact O-CG1 3.29Å; A167-I171 PolarHBondContact O-N 2.9Å; A167-Q188 HydrophobicContact CB-CB 3.87Å; A167-Y189 HydrophobicContact CB-CD2 4.44Å
168	E	89.8	Confident	84.7	Confident	80 Å²	80	74.9 Å²	74.9	37%	0.374	39%	0.394	S	S	.	.	H	α-helix	trans	-62.3	-44.7	175.4	-173	164	-152	0	0	112.6	R164 G166 L170 I171 Q172 Y189	R164-E168 WeakPolarHBondContact O-CB 3.4Å; R164-E168 PolarHBondContact O-N 2.9Å; G166-E168 VanDerWaalsContact C-N 3.33Å; G166-E168 PolarHBondContact O-N 3.44Å; E168-L170 VanDerWaalsContact C-N 3.34Å; E168-L170 PolarHBondContact O-N 3.46Å; E168-I171 PolarHBondContact O-N 2.97Å; E168-Q172 WeakPolarHBondContact O-CG 3.35Å; E168-Q172 PolarHBondContact O-N 2.93Å; E168-Y189 HydrophobicContact CB-CD2 4.04Å; E168-Y189 HydrophobicContact CB-CE2 3.94Å; E168-Y189 HydrophobicContact CG-CE2 4.28Å
169	R	89.2	Confident	84.2	Confident	149 Å²	149	81 Å²	81	56%	0.562	41%	0.412	S	S	*	.	H	α-helix	trans	-60.5	-41.3	172.5	-79.3	179.1	-83.9	180	-9.8	111.9	S165 G166 Q172 T173	S165-R169 WeakPolarHBondContact O-CG 3.43Å; S165-R169 PolarHBondContact O-N 2.6Å; S165-R169 PolarHBondContact O-NE 2.78Å; S165-R169 VanDerWaalsContact O-NE 3.13Å; S165-R169 PolarHBondContact OG-NH2 3.21Å; G166-R169 PolarHBondContact O-N 3.22Å; R169-Q172 PolarHBondContact O-N 3.45Å; R169-T173 PolarHBondContact O-N 3.46Å; R169-T173 PolarHBondContact O-OG1 2.97Å
170	L	86.3	Confident	83.8	Confident	45 Å²	45	81.5 Å²	81.5	24%	0.236	41%	0.412	C	S	.	.	H	α-helix	trans	-64.3	-39.3	174.9	-66.6	171.4	0	0	0	112.4	G166 A167 E168 Q172 T173 Y174 A185	G166-L170 WeakPolarHBondContact O-CG 3.46Å; G166-L170 PolarHBondContact O-N 2.8Å; A167-L170 PolarHBondContact O-N 3.03Å; E168-L170 VanDerWaalsContact C-N 3.34Å; E168-L170 PolarHBondContact O-N 3.46Å; L170-Q172 VanDerWaalsContact C-N 3.33Å; L170-Q172 PolarHBondContact O-N 2.67Å; L170-T173 PolarHBondContact O-N 2.86Å; L170-Y174 HydrophobicContact CB-CD2 4.43Å; L170-Y174 HydrophobicContact CD2-CE2 4.03Å; L170-Y174 WeakPolarHBondContact O-CB 3.4Å; L170-Y174 VanDerWaalsContact O-CD2 3.29Å; L170-Y174 WeakPolarHBondContact O-CD2 3.26Å; L170-Y174 PolarHBondContact O-N 3.26Å; L170-A185 HydrophobicContact CB-CB 3.69Å
171	I	89.1	Confident	83.2	Confident	36 Å²	36	83.3 Å²	83.3	19%	0.185	42%	0.419	C	S	.	.	H	α-helix	trans	-62.3	-40.7	174.5	-68.1	164.8	0	0	0	110.9	A167 E168 K175 L182 A185 R186 Y189	A167-I171 VanDerWaalsContact O-CG1 3.29Å; A167-I171 WeakPolarHBondContact O-CG1 3.29Å; A167-I171 PolarHBondContact O-N 2.9Å; E168-I171 PolarHBondContact O-N 2.97Å; I171-K175 PolarHBondContact O-N 3.36Å; I171-K175 VanDerWaalsContact O-N 3.16Å; I171-L182 HydrophobicContact CG2-CD1 4.31Å; I171-A185 HydrophobicContact CG1-CB 3.79Å; I171-R186 HydrophobicContact CD1-CG 4.06Å; I171-R186 HydrophobicContact CG1-CG 4.12Å; I171-Y189 HydrophobicContact CD1-CD2 4.27Å; I171-Y189 HydrophobicContact CD1-CG 4.02Å
172	Q	85.5	Confident	82.9	Confident	131 Å²	131	82.5 Å²	82.5	61%	0.612	42%	0.415	S	S	*	.	H	α-helix	trans	-65.5	-46	174.7	-69.3	173.4	-4	0	0	111.5	E168 R169 L170 K175	E168-Q172 WeakPolarHBondContact O-CG 3.35Å; E168-Q172 PolarHBondContact O-N 2.93Å; R169-Q172 PolarHBondContact O-N 3.45Å; L170-Q172 VanDerWaalsContact C-N 3.33Å; L170-Q172 PolarHBondContact O-N 2.67Å; Q172-K175 WeakPolarHBondContact O-CB 3.18Å; Q172-K175 PolarHBondContact O-N 3.14Å
173	T	84.2	Confident	82.6	Confident	97 Å²	97	81.3 Å²	81.3	60%	0.595	41%	0.41	S	S	*	.	H	α-helix	trans	-62.1	-43.1	178.3	-57.2	0	0	0	0	112.7	R169 L170	R169-T173 PolarHBondContact O-N 3.46Å; R169-T173 PolarHBondContact O-OG1 2.97Å; L170-T173 PolarHBondContact O-N 2.86Å
174	Y	83.7	Confident	82.3	Confident	41 Å²	41	81.9 Å²	81.9	16%	0.161	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	12.6	-177.4	-66.7	-65	0	0	0	114.3	L170 S176 G177 F181	L170-Y174 HydrophobicContact CB-CD2 4.43Å; L170-Y174 HydrophobicContact CD2-CE2 4.03Å; L170-Y174 WeakPolarHBondContact O-CB 3.4Å; L170-Y174 VanDerWaalsContact O-CD2 3.29Å; L170-Y174 WeakPolarHBondContact O-CD2 3.26Å; L170-Y174 PolarHBondContact O-N 3.26Å; Y174-S176 PolarHBondContact O-N 3.01Å; Y174-S176 VanDerWaalsContact O-N 3.1Å; Y174-G177 PolarHBondContact O-N 3.35Å; Y174-F181 HydrophobicContact CD1-CB 3.8Å; Y174-F181 HydrophobicContact CD1-CD2 4.29Å; Y174-F181 HydrophobicContact CD1-CG 4.32Å; Y174-F181 HydrophobicContact CD2-CB 3.77Å; Y174-F181 HydrophobicContact CE1-CB 3.95Å; Y174-F181 AromaticContact CE1-CD2 3.86Å; Y174-F181 HydrophobicContact CE1-CD2 3.86Å; Y174-F181 HydrophobicContact CE1-CG 4Å; Y174-F181 HydrophobicContact CE2-CB 3.92Å; Y174-F181 HydrophobicContact CE2-CG 4.29Å; Y174-F181 HydrophobicContact CG-CB 3.71Å; Y174-F181 AromaticContact CZ-CG 3.99Å
175	K	78.6	Confident	82.1	Confident	178 Å²	178	78.3 Å²	78.3	77%	0.774	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.8	179.3	-166.5	176.5	-178.4	-178.5	0	113.1	I171 Q172	I171-K175 PolarHBondContact O-N 3.36Å; I171-K175 VanDerWaalsContact O-N 3.16Å; Q172-K175 WeakPolarHBondContact O-CB 3.18Å; Q172-K175 PolarHBondContact O-N 3.14Å
176	S	76.6	Confident	82.2	Confident	121 Å²	121	82.9 Å²	82.9	85%	0.846	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	9.7	173.8	48.8	0	0	0	0	113.7	Y174	Y174-S176 PolarHBondContact O-N 3.01Å; Y174-S176 VanDerWaalsContact O-N 3.1Å
177	G	70.6	Confident	82.2	Confident	33 Å²	33	85.1 Å²	85.1	34%	0.34	41%	0.409	S	S	.	.	S	Bend	trans	-94.7	-171.9	-174.5	0	0	0	0	0	115.1	Y174 R179	Y174-G177 PolarHBondContact O-N 3.35Å; G177-R179 PolarHBondContact O-N 3.29Å
178	P	75.4	Confident	81.9	Confident	68 Å²	68	87.9 Å²	87.9	44%	0.442	42%	0.422	S	S	.	.			trans	-59.9	127.5	177.9	-22.6	33.4	0	0	0	112	H180 F181 L182	P178-H180 PolarHBondContact O-N 3.04Å; P178-F181 HydrophobicContact CB-CD2 4.02Å; P178-F181 HydrophobicContact CG-CD2 4.03Å; P178-F181 HydrophobicContact CG-CE2 4.39Å; P178-F181 PolarHBondContact O-N 2.82Å; P178-L182 PolarHBondContact O-N 3.03Å
179	R	75.3	Confident	81.9	Confident	199 Å²	199	87.5 Å²	87.5	75%	0.751	42%	0.417	S	S	*	.	H	α-helix	trans	-48.7	-36.5	-174.9	-84.6	-170.4	171.8	108	-1.8	114.8	G177 F181 L182 E183	G177-R179 PolarHBondContact O-N 3.29Å; R179-F181 PolarHBondContact O-N 3.36Å; R179-L182 WeakPolarHBondContact O-CB 3.38Å; R179-L182 PolarHBondContact O-N 2.76Å; R179-E183 WeakPolarHBondContact O-CB 3.43Å; R179-E183 WeakPolarHBondContact O-CG 3.28Å; R179-E183 PolarHBondContact O-N 2.9Å
180	H	76	Confident	81.6	Confident	109 Å²	109	84.8 Å²	84.8	51%	0.505	41%	0.411	S	S	.	.	H	α-helix	trans	-65.6	-37.1	-177.8	75.3	-88.3	0	0	0	113.1	P178 E183 E184	P178-H180 PolarHBondContact O-N 3.04Å; H180-E183 PolarHBondContact O-N 2.97Å; H180-E184 PolarHBondContact O-N 3.27Å
181	F	73.4	Confident	81.1	Confident	61 Å²	61	85.5 Å²	85.5	27%	0.268	42%	0.415	S	S	.	.	H	α-helix	trans	-69.6	-38.2	174.9	-70.8	-58.7	0	0	0	111.4	Y174 P178 R179 A185	Y174-F181 HydrophobicContact CD1-CB 3.8Å; Y174-F181 HydrophobicContact CD1-CD2 4.29Å; Y174-F181 HydrophobicContact CD1-CG 4.32Å; Y174-F181 HydrophobicContact CD2-CB 3.77Å; Y174-F181 HydrophobicContact CE1-CB 3.95Å; Y174-F181 AromaticContact CE1-CD2 3.86Å; Y174-F181 HydrophobicContact CE1-CD2 3.86Å; Y174-F181 HydrophobicContact CE1-CG 4Å; Y174-F181 HydrophobicContact CE2-CB 3.92Å; Y174-F181 HydrophobicContact CE2-CG 4.29Å; Y174-F181 HydrophobicContact CG-CB 3.71Å; Y174-F181 AromaticContact CZ-CG 3.99Å; P178-F181 HydrophobicContact CB-CD2 4.02Å; P178-F181 HydrophobicContact CG-CD2 4.03Å; P178-F181 HydrophobicContact CG-CE2 4.39Å; P178-F181 PolarHBondContact O-N 2.82Å; R179-F181 PolarHBondContact O-N 3.36Å; F181-A185 VanDerWaalsContact O-CB 3.25Å; F181-A185 WeakPolarHBondContact O-CB 3.44Å; F181-A185 PolarHBondContact O-N 3.14Å
182	L	82.2	Confident	80.8	Confident	33 Å²	33	83.8 Å²	83.8	17%	0.173	41%	0.407	C	S	.	.	H	α-helix	trans	-63.9	-42	173.6	-174.7	79.8	0	0	0	111.6	I171 P178 R179 R186	I171-L182 HydrophobicContact CG2-CD1 4.31Å; P178-L182 PolarHBondContact O-N 3.03Å; R179-L182 WeakPolarHBondContact O-CB 3.38Å; R179-L182 PolarHBondContact O-N 2.76Å; L182-R186 WeakPolarHBondContact O-CB 3.41Å; L182-R186 VanDerWaalsContact O-CG 3.23Å; L182-R186 WeakPolarHBondContact O-CG 3.5Å; L182-R186 PolarHBondContact O-N 3.32Å
183	E	81	Confident	80.5	Confident	120 Å²	120	78.7 Å²	78.7	56%	0.561	38%	0.383	S	S	*	.	H	α-helix	trans	-66.4	-43	178	-76.5	167.8	-167.7	0	0	111.7	R179 H180 R186 K187	R179-E183 WeakPolarHBondContact O-CB 3.43Å; R179-E183 WeakPolarHBondContact O-CG 3.28Å; R179-E183 PolarHBondContact O-N 2.9Å; H180-E183 PolarHBondContact O-N 2.97Å; E183-R186 PolarHBondContact O-N 3.15Å; E183-K187 WeakPolarHBondContact O-CB 3.36Å; E183-K187 PolarHBondContact O-N 2.81Å
184	E	81.6	Confident	80.1	Confident	71 Å²	71	75.9 Å²	75.9	33%	0.332	37%	0.365	S	S	.	.	H	α-helix	trans	-69.3	-39.1	176.2	-167.3	60.4	-149.9	0	0	112	H180 R186 K187 Q188	H180-E184 PolarHBondContact O-N 3.27Å; E184-R186 PolarHBondContact O-N 2.78Å; E184-K187 VanDerWaalsContact CD-NZ 3.27Å; E184-K187 PolarHBondContact O-N 3.26Å; E184-K187 IonicContact OE1-NZ 2.64Å; E184-K187 PolarHBondContact OE1-NZ 3.01Å; E184-K187 IonicContact OE2-NZ 3.58Å; E184-K187 PolarHBondContact OE2-NZ 3.31Å; E184-Q188 WeakPolarHBondContact O-CG 3.46Å; E184-Q188 PolarHBondContact O-N 2.87Å
185	A	86	Confident	79.7	Confident	3 Å²	3	78.9 Å²	78.9	3%	0.025	38%	0.378	C	S	.	.	H	α-helix	trans	-63.1	-40.7	174.4	0	0	0	0	0	112.1	L170 I171 F181 Q188 Y189	L170-A185 HydrophobicContact CB-CB 3.69Å; I171-A185 HydrophobicContact CG1-CB 3.79Å; F181-A185 VanDerWaalsContact O-CB 3.25Å; F181-A185 WeakPolarHBondContact O-CB 3.44Å; F181-A185 PolarHBondContact O-N 3.14Å; A185-Q188 PolarHBondContact O-N 2.87Å; A185-Y189 WeakPolarHBondContact O-CB 3.19Å; A185-Y189 PolarHBondContact O-N 2.94Å
186	R	88.5	Confident	79.8	Confident	141 Å²	141	70.7 Å²	70.7	53%	0.532	34%	0.343	S	S	.	.	H	α-helix	trans	-60.9	-43.3	172	-76.8	170.9	178.1	-87.7	-1.3	112.2	I171 L182 E183 E184 Y189 E190	I171-R186 HydrophobicContact CD1-CG 4.06Å; I171-R186 HydrophobicContact CG1-CG 4.12Å; L182-R186 WeakPolarHBondContact O-CB 3.41Å; L182-R186 VanDerWaalsContact O-CG 3.23Å; L182-R186 WeakPolarHBondContact O-CG 3.5Å; L182-R186 PolarHBondContact O-N 3.32Å; E183-R186 PolarHBondContact O-N 3.15Å; E184-R186 PolarHBondContact O-N 2.78Å; R186-Y189 WeakPolarHBondContact O-CB 3.42Å; R186-Y189 PolarHBondContact O-N 2.82Å; R186-E190 WeakPolarHBondContact O-CB 3.47Å; R186-E190 PolarHBondContact O-N 3.5Å
187	K	85	Confident	79.5	Confident	71 Å²	71	66.3 Å²	66.3	31%	0.309	32%	0.317	S	S	.	.	H	α-helix	trans	-66.4	-36.6	177.9	177.4	176.4	152.9	-125.4	0	112.7	E183 E184 N191	E183-K187 WeakPolarHBondContact O-CB 3.36Å; E183-K187 PolarHBondContact O-N 2.81Å; E184-K187 VanDerWaalsContact CD-NZ 3.27Å; E184-K187 PolarHBondContact O-N 3.26Å; E184-K187 IonicContact OE1-NZ 2.64Å; E184-K187 PolarHBondContact OE1-NZ 3.01Å; E184-K187 IonicContact OE2-NZ 3.58Å; E184-K187 PolarHBondContact OE2-NZ 3.31Å; K187-N191 WeakPolarHBondContact O-CB 3.48Å; K187-N191 VanDerWaalsContact O-CG 3.25Å; K187-N191 PolarHBondContact O-N 3.49Å; K187-N191 PolarHBondContact O-ND2 3.38Å
188	Q	82.8	Confident	79.7	Confident	59 Å²	59	68.4 Å²	68.4	28%	0.276	32%	0.317	S	S	.	.	H	α-helix	trans	-65.5	-42.9	171.9	-73.1	-179.6	3	0	0	111.7	A167 E184 A185 N191 A192	A167-Q188 HydrophobicContact CB-CB 3.87Å; E184-Q188 WeakPolarHBondContact O-CG 3.46Å; E184-Q188 PolarHBondContact O-N 2.87Å; A185-Q188 PolarHBondContact O-N 2.87Å; Q188-N191 PolarHBondContact O-N 2.89Å; Q188-A192 WeakPolarHBondContact O-CB 2.93Å; Q188-A192 PolarHBondContact O-N 2.8Å
189	Y	90.2	Very high	79.7	Confident	71 Å²	71	65.9 Å²	65.9	28%	0.278	30%	0.3	S	S	.	.	H	α-helix	trans	-62.3	-44.6	176.7	-175.9	-89.8	0	0	0	112.4	R164 A167 E168 I171 A185 R186 A192 N193	R164-Y189 HydrophobicContact CG-CD2 3.85Å; R164-Y189 HydrophobicContact CG-CE2 3.68Å; A167-Y189 HydrophobicContact CB-CD2 4.44Å; E168-Y189 HydrophobicContact CB-CD2 4.04Å; E168-Y189 HydrophobicContact CB-CE2 3.94Å; E168-Y189 HydrophobicContact CG-CE2 4.28Å; I171-Y189 HydrophobicContact CD1-CD2 4.27Å; I171-Y189 HydrophobicContact CD1-CG 4.02Å; A185-Y189 WeakPolarHBondContact O-CB 3.19Å; A185-Y189 PolarHBondContact O-N 2.94Å; R186-Y189 WeakPolarHBondContact O-CB 3.42Å; R186-Y189 PolarHBondContact O-N 2.82Å; Y189-A192 PolarHBondContact O-N 3.47Å; Y189-N193 WeakPolarHBondContact CE1-ND2 3.32Å; Y189-N193 PolarHBondContact O-N 3.06Å; Y189-N193 VanDerWaalsContact O-N 3.11Å
190	E	81.6	Confident	79.8	Confident	92 Å²	92	62.7 Å²	62.7	43%	0.43	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-48.2	176.2	-169.9	175.3	-174.3	0	0	111.5	R186 A192 N193 N194 P365	R186-E190 WeakPolarHBondContact O-CB 3.47Å; R186-E190 PolarHBondContact O-N 3.5Å; E190-A192 VanDerWaalsContact C-N 3.34Å; E190-A192 PolarHBondContact O-N 2.93Å; E190-N193 PolarHBondContact O-N 2.92Å; E190-N194 VanDerWaalsContact O-CG 3.22Å; E190-N194 PolarHBondContact O-N 3.29Å; E190-N194 VanDerWaalsContact O-N 3.13Å; E190-N194 PolarHBondContact O-OD1 3.16Å; E190-P365 HydrophobicContact CG-CG 4.39Å
191	N	76.9	Confident	79.5	Confident	60 Å²	60	59.5 Å²	59.5	32%	0.321	27%	0.274	S	S	.	.	H	α-helix	trans	-59.4	-40.7	176.4	-77.1	-23.6	0	0	0	113	K187 Q188 N194 K195	K187-N191 WeakPolarHBondContact O-CB 3.48Å; K187-N191 VanDerWaalsContact O-CG 3.25Å; K187-N191 PolarHBondContact O-N 3.49Å; K187-N191 PolarHBondContact O-ND2 3.38Å; Q188-N191 PolarHBondContact O-N 2.89Å; N191-N194 PolarHBondContact O-N 2.9Å; N191-K195 WeakPolarHBondContact O-CG 3.38Å; N191-K195 PolarHBondContact O-N 3.28Å
192	A	81.6	Confident	79.5	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-43	178.6	0	0	0	0	0	111.7	V163 R164 Q188 Y189 E190 N194 K195 I196	V163-A192 HydrophobicContact CB-CB 4.35Å; V163-A192 HydrophobicContact CG1-CB 4.03Å; R164-A192 HydrophobicContact CB-CB 3.93Å; Q188-A192 WeakPolarHBondContact O-CB 2.93Å; Q188-A192 PolarHBondContact O-N 2.8Å; Y189-A192 PolarHBondContact O-N 3.47Å; E190-A192 VanDerWaalsContact C-N 3.34Å; E190-A192 PolarHBondContact O-N 2.93Å; A192-N194 PolarHBondContact O-N 3.38Å; A192-K195 PolarHBondContact O-N 2.82Å; A192-I196 WeakPolarHBondContact O-CB 3.49Å; A192-I196 WeakPolarHBondContact O-CD1 3.43Å; A192-I196 VanDerWaalsContact O-CG1 3.25Å; A192-I196 WeakPolarHBondContact O-CG1 3.35Å; A192-I196 PolarHBondContact O-N 3.43Å
193	N	80.4	Confident	79.2	Confident	23 Å²	23	58.2 Å²	58.2	12%	0.123	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-44.9	175.8	-78.7	-27	0	0	0	112.4	R164 Y189 E190 K195 I196 G197	R164-N193 WeakPolarHBondContact CD-OD1 3.23Å; Y189-N193 WeakPolarHBondContact CE1-ND2 3.32Å; Y189-N193 PolarHBondContact O-N 3.06Å; Y189-N193 VanDerWaalsContact O-N 3.11Å; E190-N193 PolarHBondContact O-N 2.92Å; N193-K195 VanDerWaalsContact C-N 3.3Å; N193-K195 PolarHBondContact O-N 3.01Å; N193-I196 PolarHBondContact O-N 3.47Å; N193-G197 PolarHBondContact O-N 2.96Å
194	N	74.5	Confident	78.8	Confident	38 Å²	38	56.3 Å²	56.3	20%	0.203	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-39.7	-179.7	-60.1	-4.6	0	0	0	111.3	E190 N191 A192 F198 T367	E190-N194 VanDerWaalsContact O-CG 3.22Å; E190-N194 PolarHBondContact O-N 3.29Å; E190-N194 VanDerWaalsContact O-N 3.13Å; E190-N194 PolarHBondContact O-OD1 3.16Å; N191-N194 PolarHBondContact O-N 2.9Å; A192-N194 PolarHBondContact O-N 3.38Å; N194-F198 PolarHBondContact O-N 3.29Å; N194-F198 VanDerWaalsContact O-N 3.1Å; N194-T367 HydrophobicContact CB-CG2 4.46Å; N194-T367 WeakPolarHBondContact CB-OG1 3.49Å; N194-T367 PolarHBondContact OD1-OG1 3.49Å
195	K	76.2	Confident	78.1	Confident	104 Å²	104	55 Å²	55	45%	0.452	25%	0.253	S	S	.	.	H	α-helix	trans	-69.8	-40.7	174.4	-70.2	176.5	174.3	-179.4	0	113.1	E160 N191 A192 N193 G197 F198 I199	E160-K195 HydrophobicContact CG-CB 3.99Å; E160-K195 HydrophobicContact CG-CD 3.99Å; E160-K195 WeakPolarHBondContact OE1-CD 3.4Å; E160-K195 WeakPolarHBondContact OE1-CE 3.17Å; E160-K195 IonicContact OE1-NZ 3.61Å; E160-K195 PolarHBondContact OE1-NZ 2.66Å; E160-K195 VanDerWaalsContact OE2-CD 3.24Å; E160-K195 WeakPolarHBondContact OE2-CD 3.4Å; E160-K195 IonicContact OE2-NZ 2.62Å; E160-K195 PolarHBondContact OE2-NZ 3.36Å; N191-K195 WeakPolarHBondContact O-CG 3.38Å; N191-K195 PolarHBondContact O-N 3.28Å; A192-K195 PolarHBondContact O-N 2.82Å; N193-K195 VanDerWaalsContact C-N 3.3Å; N193-K195 PolarHBondContact O-N 3.01Å; K195-G197 VanDerWaalsContact C-N 3.27Å; K195-G197 PolarHBondContact O-N 3.43Å; K195-F198 PolarHBondContact O-N 3Å; K195-I199 WeakPolarHBondContact O-CD1 3.28Å; K195-I199 VanDerWaalsContact O-CG1 3.26Å; K195-I199 WeakPolarHBondContact O-CG1 3.28Å; K195-I199 PolarHBondContact O-N 3.2Å
196	I	79.8	Confident	77.5	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-56.6	-44	174.1	-73.5	161.5	0	0	0	110.2	L157 E160 L161 R164 A192 N193 I199 R200	L157-I196 HydrophobicContact CD1-CB 4.42Å; L157-I196 HydrophobicContact CD1-CG1 4.32Å; L157-I196 HydrophobicContact CD1-CG2 3.92Å; E160-I196 HydrophobicContact CB-CD1 4.46Å; E160-I196 HydrophobicContact CB-CG1 3.8Å; L161-I196 HydrophobicContact CD2-CD1 3.93Å; L161-I196 HydrophobicContact CG-CD1 4.32Å; R164-I196 HydrophobicContact CB-CD1 4.1Å; A192-I196 WeakPolarHBondContact O-CB 3.49Å; A192-I196 WeakPolarHBondContact O-CD1 3.43Å; A192-I196 VanDerWaalsContact O-CG1 3.25Å; A192-I196 WeakPolarHBondContact O-CG1 3.35Å; A192-I196 PolarHBondContact O-N 3.43Å; N193-I196 PolarHBondContact O-N 3.47Å; I196-I199 PolarHBondContact O-N 3.1Å; I196-R200 WeakPolarHBondContact O-CB 3.47Å; I196-R200 VanDerWaalsContact O-CG 3.28Å; I196-R200 WeakPolarHBondContact O-CG 3.41Å; I196-R200 PolarHBondContact O-N 3.14Å
197	G	69.9	Low	76.9	Confident	29 Å²	29	54 Å²	54	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-59.4	-49.6	174	0	0	0	0	0	112.5	N193 K195 I199 R200 N201	N193-G197 PolarHBondContact O-N 2.96Å; K195-G197 VanDerWaalsContact C-N 3.27Å; K195-G197 PolarHBondContact O-N 3.43Å; G197-I199 PolarHBondContact O-N 3.16Å; G197-R200 PolarHBondContact O-N 3.35Å; G197-N201 WeakPolarHBondContact O-CB 3.27Å; G197-N201 PolarHBondContact O-N 3.18Å
198	F	75.1	Confident	76	Confident	77 Å²	77	55.3 Å²	55.3	34%	0.338	26%	0.26	S	S	.	.	H	α-helix	trans	-58.4	-46.6	176.8	-178.9	-95.6	0	0	0	112.9	N194 K195 N201 Q202 L514 L542	N194-F198 PolarHBondContact O-N 3.29Å; N194-F198 VanDerWaalsContact O-N 3.1Å; K195-F198 PolarHBondContact O-N 3Å; F198-N201 PolarHBondContact O-N 3.44Å; F198-Q202 HydrophobicContact CD1-CG 4.19Å; F198-Q202 HydrophobicContact CE1-CG 3.84Å; F198-Q202 HydrophobicContact CZ-CG 4.13Å; F198-Q202 WeakPolarHBondContact O-CG 3.45Å; F198-Q202 PolarHBondContact O-N 2.9Å; F198-L514 HydrophobicContact CD2-CD1 4.32Å; F198-L542 HydrophobicContact CD2-CD1 4.19Å
199	I	75.8	Confident	75	Confident	16 Å²	16	58.5 Å²	58.5	8%	0.082	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-42.8	-178.7	-64.3	160.6	0	0	0	110.6	L153 A156 L157 E160 K195 I196 G197 N201 Q202 M203	L153-I199 HydrophobicContact CB-CG2 4.41Å; L153-I199 HydrophobicContact CD2-CG2 4.31Å; L153-I199 VanDerWaalsContact O-CG2 3.24Å; L153-I199 WeakPolarHBondContact O-CG2 3.39Å; A156-I199 HydrophobicContact CB-CD1 3.96Å; A156-I199 HydrophobicContact CB-CG1 4.45Å; A156-I199 HydrophobicContact CB-CG2 4.46Å; L157-I199 HydrophobicContact CB-CG2 3.8Å; E160-I199 HydrophobicContact CB-CD1 4.44Å; E160-I199 HydrophobicContact CG-CD1 3.9Å; K195-I199 WeakPolarHBondContact O-CD1 3.28Å; K195-I199 VanDerWaalsContact O-CG1 3.26Å; K195-I199 WeakPolarHBondContact O-CG1 3.28Å; K195-I199 PolarHBondContact O-N 3.2Å; I196-I199 PolarHBondContact O-N 3.1Å; G197-I199 PolarHBondContact O-N 3.16Å; I199-N201 VanDerWaalsContact C-N 3.34Å; I199-N201 PolarHBondContact O-N 3.34Å; I199-Q202 WeakPolarHBondContact O-CB 3.41Å; I199-Q202 PolarHBondContact O-N 3.08Å; I199-Q202 VanDerWaalsContact O-N 3.11Å; I199-M203 HydrophobicContact CG2-SD 4.49Å; I199-M203 WeakPolarHBondContact O-CG 3.3Å; I199-M203 PolarHBondContact O-N 3.4Å
200	R	78	Confident	73.6	Confident	132 Å²	132	59.8 Å²	59.8	50%	0.498	29%	0.288	S	S	.	.	H	α-helix	trans	-58.7	-44.1	173	-74.6	172.7	171.8	-166.8	-6	111.9	L157 I196 G197 Q202 M203 I204	L157-R200 HydrophobicContact CD1-CG 4.18Å; L157-R200 HydrophobicContact CD2-CG 4.49Å; I196-R200 WeakPolarHBondContact O-CB 3.47Å; I196-R200 VanDerWaalsContact O-CG 3.28Å; I196-R200 WeakPolarHBondContact O-CG 3.41Å; I196-R200 PolarHBondContact O-N 3.14Å; G197-R200 PolarHBondContact O-N 3.35Å; R200-Q202 VanDerWaalsContact C-N 3.27Å; R200-Q202 PolarHBondContact O-N 2.61Å; R200-M203 PolarHBondContact O-N 3.19Å; R200-I204 WeakPolarHBondContact O-CG1 3.34Å; R200-I204 PolarHBondContact O-N 3.23Å
201	N	69.7	Low	72.1	Confident	42 Å²	42	62.4 Å²	62.4	23%	0.225	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-26.3	176.2	-74.1	-13.3	0	0	0	113.3	G197 F198 I199 R205 E511	G197-N201 WeakPolarHBondContact O-CB 3.27Å; G197-N201 PolarHBondContact O-N 3.18Å; F198-N201 PolarHBondContact O-N 3.44Å; I199-N201 VanDerWaalsContact C-N 3.34Å; I199-N201 PolarHBondContact O-N 3.34Å; N201-R205 PolarHBondContact O-N 3.18Å; N201-R205 PolarHBondContact O-NE 2.94Å; N201-E511 PolarHBondContact ND2-O 3.01Å
202	Q	72.4	Confident	70.2	Confident	43 Å²	43	62.7 Å²	62.7	20%	0.201	32%	0.318	C	S	.	.	H	α-helix	trans	-74.7	-42.8	169.4	-67.9	-74.2	32.3	0	0	111.6	L153 F198 I199 R200 I204 R205 V206	L153-Q202 HydrophobicContact CD1-CB 3.87Å; L153-Q202 HydrophobicContact CD2-CB 3.69Å; L153-Q202 HydrophobicContact CD2-CG 4.42Å; L153-Q202 HydrophobicContact CG-CB 4.46Å; F198-Q202 HydrophobicContact CD1-CG 4.19Å; F198-Q202 HydrophobicContact CE1-CG 3.84Å; F198-Q202 HydrophobicContact CZ-CG 4.13Å; F198-Q202 WeakPolarHBondContact O-CG 3.45Å; F198-Q202 PolarHBondContact O-N 2.9Å; I199-Q202 WeakPolarHBondContact O-CB 3.41Å; I199-Q202 PolarHBondContact O-N 3.08Å; I199-Q202 VanDerWaalsContact O-N 3.11Å; R200-Q202 VanDerWaalsContact C-N 3.27Å; R200-Q202 PolarHBondContact O-N 2.61Å; Q202-I204 VanDerWaalsContact C-N 3.33Å; Q202-I204 PolarHBondContact O-N 2.92Å; Q202-R205 PolarHBondContact O-N 3.2Å; Q202-V206 WeakPolarHBondContact O-CG2 3.32Å; Q202-V206 PolarHBondContact O-N 3.11Å
203	M	77.1	Confident	67.7	Low	24 Å²	24	71 Å²	71	12%	0.118	35%	0.354	C	S	.	.	H	α-helix	trans	-61.3	-41.4	176.2	-68.7	178.2	78.1	0	0	112	L153 Q154 L157 I199 R200 V206 K207	L153-M203 HydrophobicContact CB-CG 3.6Å; L153-M203 HydrophobicContact CB-SD 4.46Å; L153-M203 HydrophobicContact CD1-CG 4.1Å; L153-M203 HydrophobicContact CG-CG 4.43Å; Q154-M203 HydrophobicContact CB-CE 4.35Å; Q154-M203 VanDerWaalsContact OE1-CE 3.28Å; L157-M203 HydrophobicContact CD2-SD 3.81Å; I199-M203 HydrophobicContact CG2-SD 4.49Å; I199-M203 WeakPolarHBondContact O-CG 3.3Å; I199-M203 PolarHBondContact O-N 3.4Å; R200-M203 PolarHBondContact O-N 3.19Å; M203-V206 PolarHBondContact O-N 2.93Å; M203-K207 WeakPolarHBondContact O-CB 3.4Å; M203-K207 WeakPolarHBondContact O-CG 3.47Å; M203-K207 PolarHBondContact O-N 3.31Å
204	I	71.7	Confident	65.2	Low	80 Å²	80	80.2 Å²	80.2	41%	0.41	39%	0.389	S	S	.	.	H	α-helix	trans	-60.2	-46	174.5	-68.6	165.7	0	0	0	110.4	R200 Q202 V206 K207 Q208	R200-I204 WeakPolarHBondContact O-CG1 3.34Å; R200-I204 PolarHBondContact O-N 3.23Å; Q202-I204 VanDerWaalsContact C-N 3.33Å; Q202-I204 PolarHBondContact O-N 2.92Å; I204-V206 PolarHBondContact O-N 3.41Å; I204-K207 PolarHBondContact O-N 3.38Å; I204-Q208 HydrophobicContact CG2-CG 4.34Å; I204-Q208 WeakPolarHBondContact O-CB 3.45Å; I204-Q208 VanDerWaalsContact O-CG 3.28Å; I204-Q208 WeakPolarHBondContact O-CG 3.31Å; I204-Q208 PolarHBondContact O-N 2.96Å
205	R	67.5	Low	62.8	Low	42 Å²	42	87.3 Å²	87.3	16%	0.158	42%	0.421	C	S	.	.	H	α-helix	trans	-61.1	-44.4	176	-84.3	-178.1	-76.3	-174.7	-12.9	113	N201 Q202 K207 Q208 M209 L514	N201-R205 PolarHBondContact O-N 3.18Å; N201-R205 PolarHBondContact O-NE 2.94Å; Q202-R205 PolarHBondContact O-N 3.2Å; R205-K207 VanDerWaalsContact C-N 3.34Å; R205-K207 PolarHBondContact O-N 2.98Å; R205-Q208 PolarHBondContact O-N 3.3Å; R205-M209 WeakPolarHBondContact O-CG 3.37Å; R205-M209 PolarHBondContact O-N 3.47Å; R205-L514 PolarHBondContact NH1-O 3.47Å; R205-L514 VanDerWaalsContact NH1-O 3.08Å; R205-L514 PolarHBondContact NH2-O 3.35Å
206	V	73.5	Confident	60.5	Low	8 Å²	8	88.1 Å²	88.1	5%	0.048	44%	0.436	C	S	.	.	H	α-helix	trans	-67.6	-34.4	179.1	178.8	0	0	0	0	111.4	I146 R149 L150 L153 Q202 M203 I204 N210	I146-V206 HydrophobicContact CG2-CG1 3.66Å; R149-V206 HydrophobicContact CB-CG1 4.46Å; R149-V206 HydrophobicContact CG-CG2 4.33Å; L150-V206 HydrophobicContact CD1-CG1 4.46Å; L150-V206 HydrophobicContact CD2-CB 3.83Å; L150-V206 HydrophobicContact CD2-CG1 3.67Å; L150-V206 HydrophobicContact CG-CB 4.37Å; L150-V206 HydrophobicContact CG-CG1 3.64Å; L153-V206 HydrophobicContact CD1-CB 4.42Å; L153-V206 HydrophobicContact CD1-CG2 3.8Å; Q202-V206 WeakPolarHBondContact O-CG2 3.32Å; Q202-V206 PolarHBondContact O-N 3.11Å; M203-V206 PolarHBondContact O-N 2.93Å; I204-V206 PolarHBondContact O-N 3.41Å; V206-N210 PolarHBondContact O-N 2.79Å
207	K	75.2	Confident	58	Low	116 Å²	116	94.5 Å²	94.5	50%	0.504	47%	0.47	S	S	.	.	H	α-helix	trans	-66.6	-44.4	169.7	-73.6	-175	176.4	-170.6	0	112.5	L150 M203 I204 R205 M209 N210 E211	L150-K207 HydrophobicContact CD1-CG 4.38Å; L150-K207 HydrophobicContact CD2-CG 4.01Å; M203-K207 WeakPolarHBondContact O-CB 3.4Å; M203-K207 WeakPolarHBondContact O-CG 3.47Å; M203-K207 PolarHBondContact O-N 3.31Å; I204-K207 PolarHBondContact O-N 3.38Å; R205-K207 VanDerWaalsContact C-N 3.34Å; R205-K207 PolarHBondContact O-N 2.98Å; K207-M209 VanDerWaalsContact C-N 3.3Å; K207-M209 PolarHBondContact O-N 2.73Å; K207-N210 WeakPolarHBondContact O-CA 3.49Å; K207-N210 VanDerWaalsContact O-CB 3.23Å; K207-N210 WeakPolarHBondContact O-CB 3.29Å; K207-N210 PolarHBondContact O-N 3.19Å; K207-E211 PolarHBondContact O-N 2.86Å; K207-E211 VanDerWaalsContact O-N 3.09Å
208	Q	65.3	Low	56	Low	99 Å²	99	98.9 Å²	98.9	46%	0.463	49%	0.492	S	S	.	.	H	α-helix	trans	-62.9	-35.3	176.7	-74.6	172.1	-18.8	0	0	112.3	I204 R205 N210 E211 G212	I204-Q208 HydrophobicContact CG2-CG 4.34Å; I204-Q208 WeakPolarHBondContact O-CB 3.45Å; I204-Q208 VanDerWaalsContact O-CG 3.28Å; I204-Q208 WeakPolarHBondContact O-CG 3.31Å; I204-Q208 PolarHBondContact O-N 2.96Å; R205-Q208 PolarHBondContact O-N 3.3Å; Q208-N210 PolarHBondContact O-N 3.47Å; Q208-E211 PolarHBondContact O-N 2.81Å; Q208-G212 PolarHBondContact O-N 2.68Å
209	M	62.7	Low	53.8	Low	125 Å²	125	100.8 Å²	100.8	62%	0.616	52%	0.515	S	S	*	.	H	α-helix	trans	-63.5	-25.6	170.8	-76.3	177.5	164.1	0	0	113.3	R205 K207	R205-M209 WeakPolarHBondContact O-CG 3.37Å; R205-M209 PolarHBondContact O-N 3.47Å; K207-M209 VanDerWaalsContact C-N 3.3Å; K207-M209 PolarHBondContact O-N 2.73Å
210	N	60.5	Low	51.7	Low	99 Å²	99	105.5 Å²	105.5	53%	0.529	55%	0.546	S	S	.	.	H	α-helix	trans	-81.5	-31.1	174.5	-162.2	55.6	0	0	0	112.6	I146 V206 K207 Q208	I146-N210 HydrophobicContact CG2-CB 4.19Å; V206-N210 PolarHBondContact O-N 2.79Å; K207-N210 WeakPolarHBondContact O-CA 3.49Å; K207-N210 VanDerWaalsContact O-CB 3.23Å; K207-N210 WeakPolarHBondContact O-CB 3.29Å; K207-N210 PolarHBondContact O-N 3.19Å; Q208-N210 PolarHBondContact O-N 3.47Å
211	E	49.6	Very low	49.3	Very low	147 Å²	147	108 Å²	108	69%	0.687	57%	0.568	S	S	*	*	H	α-helix	trans	-90.9	-15.8	-177.4	-68.8	174.6	176.3	0	0	113.4	K207 Q208 F213	K207-E211 PolarHBondContact O-N 2.86Å; K207-E211 VanDerWaalsContact O-N 3.09Å; Q208-E211 PolarHBondContact O-N 2.81Å; E211-F213 PolarHBondContact O-N 2.77Å
212	G	38.4	Very low	47.2	Very low	66 Å²	66	109 Å²	109	68%	0.68	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	11.4	-176	0	0	0	0	0	117.3	Q208	Q208-G212 PolarHBondContact O-N 2.68Å
213	F	29.2	Very low	44.9	Very low	176 Å²	176	112.3 Å²	112.3	77%	0.772	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	26.8	-175.8	-117	-82.3	0	0	0	115	E211	E211-F213 PolarHBondContact O-N 2.77Å
214	Y	26.8	Very low	42.5	Very low	216 Å²	216	123.1 Å²	123.1	85%	0.847	66%	0.656	S	S	*	*			trans	-136.2	103	163.4	-82.2	-84.3	0	0	0	111
215	Q	24	Very low	40.3	Very low	187 Å²	187	124 Å²	124	87%	0.874	67%	0.67	S	S	*	*			trans	-83.2	137.6	155	-75.7	-172.7	-23.2	0	0	109
216	P	28.9	Very low	38.3	Very low	120 Å²	120	129.6 Å²	129.6	78%	0.779	70%	0.697	S	S	*	*			trans	-121	137.3	144.8	9.2	11.1	0	0	0	111.1
217	D	26.8	Very low	36	Very low	140 Å²	140	136 Å²	136	75%	0.749	73%	0.731	S	S	*	*			trans	-57	146.9	-172.3	-61.3	-62.4	0	0	0	116.8
218	T	28.3	Very low	33.9	Very low	122 Å²	122	138.8 Å²	138.8	75%	0.748	75%	0.75	S	S	*	*			trans	24.5	119.4	141.3	65.6	0	0	0	0	120.2
219	S	28.7	Very low	32.1	Very low	117 Å²	117	138.2 Å²	138.2	82%	0.818	76%	0.757	S	S	*	*				142.3	150.4	112	66	0	0	0	0	113.8
220	P	31.1	Very low	30.5	Very low	115 Å²	115	138.5 Å²	138.5	75%	0.747	76%	0.761	S	S	*	*			trans	-118.6	128.6	-162.8	36.5	-21.4	0	0	0	114.1
221	L	27.6	Very low	29	Very low	183 Å²	183	140 Å²	140	96%	0.958	77%	0.774	S	S	*	*			trans	-163.8	144	167.4	-107.8	136.2	0	0	0	114.3
222	G	25.5	Very low	28.2	Very low	63 Å²	63	137.4 Å²	137.4	65%	0.649	78%	0.778	S	S	*	*			trans	90.7	84.7	133.6	0	0	0	0	0	119
223	S	25.1	Very low	27.8	Very low	114 Å²	114	144.2 Å²	144.2	80%	0.797	79%	0.789	S	S	*	*			trans	-20.1	135.3	144	54.2	0	0	0	0	117.9
224	R	26.8	Very low	28.2	Very low	251 Å²	251	140.7 Å²	140.7	95%	0.947	78%	0.783	S	S	*	*				-166.7	162.7	114.7	-107.4	169.1	93.6	156.5	3.4	113.7
225	S	24.5	Very low	28.2	Very low	99 Å²	99	138.3 Å²	138.3	69%	0.692	79%	0.785	S	S	*	*			trans	-95.4	-179.9	-172.5	-162.2	0	0	0	0	112.5
226	E	26.8	Very low	28.5	Very low	158 Å²	158	133.2 Å²	133.2	74%	0.738	78%	0.783	S	S	*	*			trans	86.9	107.5	157.3	-71.5	157.3	-149.5	0	0	119.7
227	N	24.9	Very low	28.4	Very low	143 Å²	143	133 Å²	133	77%	0.765	79%	0.785	S	S	*	*				40.3	127.2	117.3	-54	-20.9	0	0	0	119.6
228	I	31.4	Very low	28.4	Very low	174 Å²	174	133.2 Å²	133.2	89%	0.892	78%	0.784	S	S	*	*				-167.4	153.5	117.6	-97.3	151.4	0	0	0	109.3
229	S	27.2	Very low	28.4	Very low	88 Å²	88	134.7 Å²	134.7	62%	0.615	79%	0.787	S	S	*	*			trans	-101.4	171.8	-172.6	59.7	0	0	0	0	114.3
230	D	29.2	Very low	28.2	Very low	130 Å²	130	135 Å²	135	70%	0.695	79%	0.79	S	S	*	*			trans	86.2	127.2	145.2	-66.9	-47.7	0	0	0	123.2
231	T	29.4	Very low	28	Very low	132 Å²	132	133.9 Å²	133.9	81%	0.81	79%	0.79	S	S	*	*			trans	69.6	113.4	148.4	59.7	0	0	0	0	120.2
232	A	30.9	Very low	28.1	Very low	92 Å²	92	129.5 Å²	129.5	76%	0.76	78%	0.775	S	S	*	*				165.1	117.4	84.8	0	0	0	0	0	115.5
233	K	30.6	Very low	28.3	Very low	208 Å²	208	130.8 Å²	130.8	90%	0.904	77%	0.774	S	S	*	*			trans	66.2	162.9	140.5	-81.2	-168.9	174	179.1	0	121
234	P	38.3	Very low	28.8	Very low	102 Å²	102	130.1 Å²	130.1	66%	0.662	77%	0.765	S	S	*	*			trans	-119.6	168.6	-140.9	43.3	-34.9	0	0	0	115.8
235	N	27.2	Very low	29.3	Very low	166 Å²	166	121.5 Å²	121.5	89%	0.888	74%	0.743	S	S	*	*			trans	164.5	140.9	130.9	-84.6	-21.9	0	0	0	110.4
236	G	28.7	Very low	30.1	Very low	81 Å²	81	120.1 Å²	120.1	84%	0.835	73%	0.734	S	S	*	*			trans	146.2	114.5	172.1	0	0	0	0	0	113.5
237	S	27.1	Very low	31.1	Very low	116 Å²	116	116.1 Å²	116.1	81%	0.811	72%	0.717	S	S	*	*			trans	-74.6	170.4	-176.1	-166.5	0	0	0	0	113.7
238	I	26.9	Very low	32.8	Very low	143 Å²	143	114 Å²	114	73%	0.733	70%	0.703	S	S	*	*			trans	79.9	92.3	167.2	-45.6	165.2	0	0	0	115.4
239	N	27.6	Very low	34.4	Very low	153 Å²	153	111.8 Å²	111.8	82%	0.818	69%	0.688	S	S	*	*			trans	161.1	111.5	137.1	-84.6	-31.2	0	0	0	111
240	S	24.6	Very low	36.6	Very low	124 Å²	124	109 Å²	109	87%	0.867	67%	0.674	S	S	*	*			trans	-140.9	72	-178.8	61.6	0	0	0	0	112.6
241	A	28.6	Very low	39.1	Very low	91 Å²	91	103.3 Å²	103.3	75%	0.752	64%	0.643	S	S	*	*	S	Bend	trans	-152.6	-14.7	173.2	0	0	0	0	0	115.2
242	S	29.1	Very low	41.5	Very low	92 Å²	92	101.1 Å²	101.1	64%	0.643	63%	0.626	S	S	*	*	S	Bend	trans	-100.4	-5.5	-165.5	49.2	0	0	0	0	116.4	S245	S242-S245 PolarHBondContact O-OG 3.26Å
243	S	30	Very low	43.8	Very low	89 Å²	89	102 Å²	102	62%	0.622	62%	0.617	S	S	*	*	S	Bend	trans	-94.6	-12.7	-175.2	54.3	0	0	0	0	115.2
244	V	34.4	Very low	46.5	Very low	100 Å²	100	92.9 Å²	92.9	61%	0.606	58%	0.577	S	S	*	*	H	α-helix	trans	-83.8	-26.8	-177.9	-178.6	0	0	0	0	111.9
245	S	38.4	Very low	48.7	Very low	71 Å²	71	90.2 Å²	90.2	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-71.2	-39	-174.5	30.3	0	0	0	0	114.3	S242 Q248 E249	S242-S245 PolarHBondContact O-OG 3.26Å; S245-Q248 PolarHBondContact O-N 3.35Å; S245-E249 PolarHBondContact O-N 2.76Å
246	S	39.9	Very low	51.4	Low	70 Å²	70	87.4 Å²	87.4	49%	0.49	54%	0.54	S	S	.	.	H	α-helix	trans	-67.9	-40.1	-174.4	54	0	0	0	0	113.8	Q248 E249 G250	S246-Q248 VanDerWaalsContact C-N 3.31Å; S246-Q248 PolarHBondContact O-N 2.78Å; S246-E249 PolarHBondContact O-N 3Å; S246-G250 PolarHBondContact O-N 3.29Å
247	N	49.3	Very low	54.1	Low	73 Å²	73	88.7 Å²	88.7	39%	0.39	52%	0.522	S	S	.	.	H	α-helix	trans	-68.5	-30.1	178.9	-74.2	-14.7	0	0	0	112.6	F251	N247-F251 PolarHBondContact O-N 3Å
248	Q	59.7	Low	57.1	Low	100 Å²	100	83.1 Å²	83.1	47%	0.467	48%	0.484	S	S	.	.	H	α-helix	trans	-76.1	-35	178.8	-165.5	170.7	13.1	0	0	111.9	S245 S246 F251 L252	S245-Q248 PolarHBondContact O-N 3.35Å; S246-Q248 VanDerWaalsContact C-N 3.31Å; S246-Q248 PolarHBondContact O-N 2.78Å; Q248-F251 PolarHBondContact O-N 3.13Å; Q248-L252 WeakPolarHBondContact O-CG 3.43Å; Q248-L252 PolarHBondContact O-N 2.64Å
249	E	66	Low	59.9	Low	126 Å²	126	77.2 Å²	77.2	59%	0.589	45%	0.453	S	S	*	.	H	α-helix	trans	-66.9	-44.3	175.9	-172.4	166.4	-152.1	0	0	112	S245 S246 F251 L252 I253	S245-E249 PolarHBondContact O-N 2.76Å; S246-E249 PolarHBondContact O-N 3Å; E249-F251 VanDerWaalsContact C-N 3.28Å; E249-F251 PolarHBondContact O-N 3.25Å; E249-L252 PolarHBondContact O-N 3.31Å; E249-L252 VanDerWaalsContact O-N 3.16Å; E249-I253 HydrophobicContact CG-CD1 4.02Å; E249-I253 WeakPolarHBondContact O-CG1 3.38Å; E249-I253 PolarHBondContact O-N 2.69Å; E249-I253 VanDerWaalsContact O-N 3.07Å
250	G	73.8	Confident	62.6	Low	31 Å²	31	71.5 Å²	71.5	32%	0.32	42%	0.422	S	S	.	.	H	α-helix	trans	-59	-36.4	175.8	0	0	0	0	0	113.7	S246 W254	S246-G250 PolarHBondContact O-N 3.29Å; G250-W254 WeakPolarHBondContact O-CB 3.46Å; G250-W254 PolarHBondContact O-N 2.88Å; G250-W254 VanDerWaalsContact O-N 3.14Å
251	F	80.5	Confident	65.8	Low	9 Å²	9	65.9 Å²	65.9	4%	0.039	38%	0.382	C	S	.	.	H	α-helix	trans	-64.2	-46.9	173.8	178.7	-123.8	0	0	0	112.8	N247 Q248 E249 W254 K255 T325 F327 M330 I331	N247-F251 PolarHBondContact O-N 3Å; Q248-F251 PolarHBondContact O-N 3.13Å; E249-F251 VanDerWaalsContact C-N 3.28Å; E249-F251 PolarHBondContact O-N 3.25Å; F251-W254 HydrophobicContact CD2-CE3 4.12Å; F251-W254 AromaticContact CE2-CE3 3.99Å; F251-W254 HydrophobicContact CE2-CE3 3.99Å; F251-W254 AromaticContact CE2-CZ3 3.96Å; F251-W254 HydrophobicContact CE2-CZ3 3.96Å; F251-W254 PolarHBondContact O-N 3.45Å; F251-K255 HydrophobicContact CE1-CD 4.34Å; F251-K255 HydrophobicContact CZ-CD 4.24Å; F251-K255 VanDerWaalsContact O-CB 3.31Å; F251-K255 WeakPolarHBondContact O-CB 3.45Å; F251-K255 PolarHBondContact O-N 3.4Å; F251-T325 HydrophobicContact CB-CG2 3.6Å; F251-T325 HydrophobicContact CD2-CG2 3.69Å; F251-T325 HydrophobicContact CG-CG2 3.86Å; F251-F327 HydrophobicContact CD1-CD2 4.36Å; F251-M330 HydrophobicContact CE1-CG 4.4Å; F251-M330 HydrophobicContact CE1-SD 3.65Å; F251-M330 HydrophobicContact CZ-CB 4Å; F251-M330 HydrophobicContact CZ-CG 3.77Å; F251-M330 HydrophobicContact CZ-SD 3.6Å; F251-M330 VanDerWaalsContact CZ-SD 3.6Å; F251-I331 HydrophobicContact CD2-CG1 4.4Å; F251-I331 HydrophobicContact CE2-CG1 3.84Å
252	L	79.2	Confident	68.7	Low	87 Å²	87	61.6 Å²	61.6	46%	0.455	35%	0.346	S	S	.	.	H	α-helix	trans	-63.1	-43.7	-178.2	-69.8	167.1	0	0	0	111.1	Q248 E249 W254 K255 D256	Q248-L252 WeakPolarHBondContact O-CG 3.43Å; Q248-L252 PolarHBondContact O-N 2.64Å; E249-L252 PolarHBondContact O-N 3.31Å; E249-L252 VanDerWaalsContact O-N 3.16Å; L252-W254 PolarHBondContact O-N 3.41Å; L252-K255 PolarHBondContact O-N 3.2Å; L252-D256 PolarHBondContact O-N 3.21Å
253	I	80	Confident	71.5	Confident	110 Å²	110	59.9 Å²	59.9	56%	0.564	33%	0.328	S	S	*	.	H	α-helix	trans	-62.3	-43.7	176.6	-64.7	166.7	0	0	0	111.4	E249 K257	E249-I253 HydrophobicContact CG-CD1 4.02Å; E249-I253 WeakPolarHBondContact O-CG1 3.38Å; E249-I253 PolarHBondContact O-N 2.69Å; E249-I253 VanDerWaalsContact O-N 3.07Å; I253-K257 WeakPolarHBondContact O-CB 3.31Å; I253-K257 PolarHBondContact O-N 2.87Å
254	W	87.4	Confident	74.3	Confident	17 Å²	17	57.2 Å²	57.2	6%	0.064	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-46.5	175.3	172.6	89.2	0	0	0	111.5	G250 F251 L252 K257 V258 L318 P322 P323 I331 I334 V335	G250-W254 WeakPolarHBondContact O-CB 3.46Å; G250-W254 PolarHBondContact O-N 2.88Å; G250-W254 VanDerWaalsContact O-N 3.14Å; F251-W254 HydrophobicContact CD2-CE3 4.12Å; F251-W254 AromaticContact CE2-CE3 3.99Å; F251-W254 HydrophobicContact CE2-CE3 3.99Å; F251-W254 AromaticContact CE2-CZ3 3.96Å; F251-W254 HydrophobicContact CE2-CZ3 3.96Å; F251-W254 PolarHBondContact O-N 3.45Å; L252-W254 PolarHBondContact O-N 3.41Å; W254-K257 PolarHBondContact O-N 3.26Å; W254-V258 HydrophobicContact CD2-CG2 4.12Å; W254-V258 HydrophobicContact CZ2-CG2 3.95Å; W254-V258 WeakPolarHBondContact O-CG2 3.43Å; W254-V258 PolarHBondContact O-N 2.98Å; W254-L318 PolarHBondContact NE1-O 2.99Å; W254-P322 HydrophobicContact CH2-CB 4.45Å; W254-P322 HydrophobicContact CZ2-CB 3.85Å; W254-P323 HydrophobicContact CB-CG 3.72Å; W254-P323 VanDerWaalsContact CD1-CD 3.45Å; W254-P323 HydrophobicContact CD2-CG 4.42Å; W254-P323 HydrophobicContact CG-CG 3.94Å; W254-I331 HydrophobicContact CH2-CG1 4.42Å; W254-I331 HydrophobicContact CH2-CG2 4.09Å; W254-I331 HydrophobicContact CZ3-CG1 4.23Å; W254-I334 HydrophobicContact CH2-CB 4.5Å; W254-I334 HydrophobicContact CH2-CG2 4.26Å; W254-I334 HydrophobicContact CZ3-CD1 4.09Å; W254-V335 HydrophobicContact CH2-CG2 4.36Å; W254-V335 HydrophobicContact CZ2-CG2 4.47Å
255	K	85.3	Confident	76.9	Confident	45 Å²	45	52.5 Å²	52.5	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-55.1	-179.9	179.9	174.6	-179.3	174.3	0	110.7	F251 L252 K257 V258 M259 M330 I334	F251-K255 HydrophobicContact CE1-CD 4.34Å; F251-K255 HydrophobicContact CZ-CD 4.24Å; F251-K255 VanDerWaalsContact O-CB 3.31Å; F251-K255 WeakPolarHBondContact O-CB 3.45Å; F251-K255 PolarHBondContact O-N 3.4Å; L252-K255 PolarHBondContact O-N 3.2Å; K255-K257 VanDerWaalsContact C-N 3.25Å; K255-K257 PolarHBondContact O-N 3.48Å; K255-V258 PolarHBondContact O-N 2.62Å; K255-V258 VanDerWaalsContact O-N 3.07Å; K255-M259 HydrophobicContact CG-CG 4.13Å; K255-M259 WeakPolarHBondContact O-CG 3.44Å; K255-M259 PolarHBondContact O-N 2.75Å; K255-M330 PolarHBondContact NZ-SD 3.08Å; K255-I334 HydrophobicContact CD-CD1 4.25Å; K255-I334 HydrophobicContact CG-CD1 4.06Å
256	D	82.4	Confident	79.3	Confident	107 Å²	107	52 Å²	52	57%	0.572	26%	0.263	S	S	*	.	H	α-helix	trans	-57.4	-40.7	-179.1	-72.6	-11.1	0	0	0	111.2	L252 M259 E260	L252-D256 PolarHBondContact O-N 3.21Å; D256-M259 PolarHBondContact O-N 3.38Å; D256-E260 WeakPolarHBondContact O-CB 3.46Å; D256-E260 PolarHBondContact O-N 2.65Å
257	K	86.5	Confident	81.5	Confident	108 Å²	108	51.4 Å²	51.4	47%	0.47	26%	0.256	S	S	.	.	H	α-helix	trans	-64.7	-40.3	175.9	-169.2	175.2	-174.3	177.9	0	113.5	I253 W254 K255 L261 L318	I253-K257 WeakPolarHBondContact O-CB 3.31Å; I253-K257 PolarHBondContact O-N 2.87Å; W254-K257 PolarHBondContact O-N 3.26Å; K255-K257 VanDerWaalsContact C-N 3.25Å; K255-K257 PolarHBondContact O-N 3.48Å; K257-L261 HydrophobicContact CG-CD1 4.3Å; K257-L261 WeakPolarHBondContact O-CB 3.48Å; K257-L261 WeakPolarHBondContact O-CG 3.49Å; K257-L261 PolarHBondContact O-N 2.78Å; K257-L261 VanDerWaalsContact O-N 3.09Å; K257-L318 HydrophobicContact CD-CD1 3.9Å; K257-L318 HydrophobicContact CD-CD2 4.31Å; K257-L318 HydrophobicContact CG-CD1 3.96Å
258	V	89.1	Confident	83.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.6	-45.1	176.5	169.3	0	0	0	0	110.9	W254 K255 E260 L261 A262 I315 L318 L319 I334	W254-V258 HydrophobicContact CD2-CG2 4.12Å; W254-V258 HydrophobicContact CZ2-CG2 3.95Å; W254-V258 WeakPolarHBondContact O-CG2 3.43Å; W254-V258 PolarHBondContact O-N 2.98Å; K255-V258 PolarHBondContact O-N 2.62Å; K255-V258 VanDerWaalsContact O-N 3.07Å; V258-E260 PolarHBondContact O-N 2.62Å; V258-L261 PolarHBondContact O-N 2.88Å; V258-A262 WeakPolarHBondContact O-CB 3.34Å; V258-A262 PolarHBondContact O-N 2.86Å; V258-I315 HydrophobicContact CG1-CD1 4.47Å; V258-L318 HydrophobicContact CG2-CB 4.18Å; V258-L319 HydrophobicContact CG1-CD2 4.07Å; V258-I334 HydrophobicContact CG1-CG2 3.76Å
259	M	86.2	Confident	84.8	Confident	19 Å²	19	44.7 Å²	44.7	9%	0.094	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-41.7	179.9	-61.5	-65.6	-66.7	0	0	111.8	K255 D256 A262 H263 L360 L361	K255-M259 HydrophobicContact CG-CG 4.13Å; K255-M259 WeakPolarHBondContact O-CG 3.44Å; K255-M259 PolarHBondContact O-N 2.75Å; D256-M259 PolarHBondContact O-N 3.38Å; M259-A262 PolarHBondContact O-N 2.9Å; M259-H263 WeakPolarHBondContact O-CB 3.49Å; M259-H263 PolarHBondContact O-N 3.02Å; M259-L360 VanDerWaalsContact CE-C 3.48Å; M259-L360 VanDerWaalsContact CE-CA 3.5Å; M259-L360 HydrophobicContact CE-CB 4.04Å; M259-L360 HydrophobicContact CE-CD2 4.33Å; M259-L360 HydrophobicContact SD-CD2 3.8Å; M259-L361 HydrophobicContact CE-CB 3.72Å; M259-L361 WeakPolarHBondContact CE-O 3.41Å
260	E	85.1	Confident	85.8	Confident	33 Å²	33	41.8 Å²	41.8	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-42.7	176.6	-177.5	75.5	168.7	0	0	112.1	D256 V258 H263 R264 P363 R509	D256-E260 WeakPolarHBondContact O-CB 3.46Å; D256-E260 PolarHBondContact O-N 2.65Å; V258-E260 PolarHBondContact O-N 2.62Å; E260-H263 PolarHBondContact O-N 2.81Å; E260-R264 PolarHBondContact O-N 3.33Å; E260-R264 IonicContact OE1-CZ 2.63Å; E260-R264 VanDerWaalsContact OE1-CZ 3.3Å; E260-R264 IonicContact OE1-NH1 2.73Å; E260-R264 PolarHBondContact OE1-NH1 2.84Å; E260-R264 IonicContact OE1-NH2 2.59Å; E260-R264 PolarHBondContact OE1-NH2 2.75Å; E260-P363 VanDerWaalsContact OE2-CB 3.23Å; E260-P363 WeakPolarHBondContact OE2-CB 3.34Å; E260-P363 VanDerWaalsContact OE2-CG 3.25Å; E260-P363 WeakPolarHBondContact OE2-CG 3.29Å; E260-R509 IonicContact OE1-CZ 3.24Å; E260-R509 IonicContact OE1-NE 2.88Å; E260-R509 IonicContact OE1-NH2 2.94Å; E260-R509 PolarHBondContact OE1-NH2 2.94Å; E260-R509 IonicContact OE2-NH2 2.69Å; E260-R509 PolarHBondContact OE2-NH2 3.42Å
261	L	91	Very high	86.3	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-68.6	-39.5	174.7	-76	170.2	0	0	0	112.4	K257 V258 H263 R264 L265 F311 I315 L318 L526	K257-L261 HydrophobicContact CG-CD1 4.3Å; K257-L261 WeakPolarHBondContact O-CB 3.48Å; K257-L261 WeakPolarHBondContact O-CG 3.49Å; K257-L261 PolarHBondContact O-N 2.78Å; K257-L261 VanDerWaalsContact O-N 3.09Å; V258-L261 PolarHBondContact O-N 2.88Å; L261-H263 VanDerWaalsContact C-N 3.3Å; L261-H263 PolarHBondContact O-N 2.93Å; L261-R264 PolarHBondContact O-N 3.19Å; L261-L265 WeakPolarHBondContact O-CB 3.38Å; L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 2.91Å; L261-F311 HydrophobicContact CD2-CD1 4.48Å; L261-I315 HydrophobicContact CB-CB 4.36Å; L261-I315 HydrophobicContact CB-CD1 3.76Å; L261-I315 HydrophobicContact CB-CG1 4.07Å; L261-I315 HydrophobicContact CD1-CB 4.29Å; L261-I315 HydrophobicContact CD1-CG1 4.29Å; L261-L318 HydrophobicContact CD1-CD1 3.52Å; L261-L526 HydrophobicContact CD2-CD1 3.83Å; L261-L526 HydrophobicContact CD2-CD2 4.39Å
262	A	89.7	Confident	86.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-37.9	174.2	0	0	0	0	0	111.4	V258 M259 R266 I315 M340 L343 L360	V258-A262 WeakPolarHBondContact O-CB 3.34Å; V258-A262 PolarHBondContact O-N 2.86Å; M259-A262 PolarHBondContact O-N 2.9Å; A262-R266 WeakPolarHBondContact O-CB 3.47Å; A262-R266 PolarHBondContact O-N 2.78Å; A262-I315 HydrophobicContact CB-CD1 4.32Å; A262-M340 HydrophobicContact CB-SD 3.97Å; A262-L343 HydrophobicContact CB-CD1 4.06Å; A262-L360 HydrophobicContact CB-CD1 4.27Å
263	H	87.3	Confident	87	Confident	56 Å²	56	42.3 Å²	42.3	26%	0.259	22%	0.217	S	C	.	.	H	α-helix	trans	-63	-48.5	172.3	-176.4	75.9	0	0	0	112.4	M259 E260 L261 L265 R266 V267 P363	M259-H263 WeakPolarHBondContact O-CB 3.49Å; M259-H263 PolarHBondContact O-N 3.02Å; E260-H263 PolarHBondContact O-N 2.81Å; L261-H263 VanDerWaalsContact C-N 3.3Å; L261-H263 PolarHBondContact O-N 2.93Å; H263-L265 PolarHBondContact O-N 3.46Å; H263-R266 WeakPolarHBondContact O-CB 3.41Å; H263-R266 PolarHBondContact O-N 2.86Å; H263-V267 WeakPolarHBondContact O-CG2 3.43Å; H263-V267 PolarHBondContact O-N 2.81Å; H263-P363 HydrophobicContact CB-CG 3.78Å
264	R	88.7	Confident	87	Confident	33 Å²	33	38.9 Å²	38.9	13%	0.125	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-40.6	176.7	-72.6	-163.1	174.3	78.1	11.5	112.5	E260 L261 R266 V267 E268 F311 E460 Y507	E260-R264 PolarHBondContact O-N 3.33Å; E260-R264 IonicContact OE1-CZ 2.63Å; E260-R264 VanDerWaalsContact OE1-CZ 3.3Å; E260-R264 IonicContact OE1-NH1 2.73Å; E260-R264 PolarHBondContact OE1-NH1 2.84Å; E260-R264 IonicContact OE1-NH2 2.59Å; E260-R264 PolarHBondContact OE1-NH2 2.75Å; L261-R264 PolarHBondContact O-N 3.19Å; R264-R266 VanDerWaalsContact C-N 3.35Å; R264-R266 PolarHBondContact O-N 3.12Å; R264-V267 PolarHBondContact O-N 2.88Å; R264-E268 WeakPolarHBondContact O-CB 3.33Å; R264-E268 PolarHBondContact O-N 3.12Å; R264-F311 HydrophobicContact CB-CD2 4.27Å; R264-F311 HydrophobicContact CB-CE1 4.46Å; R264-F311 HydrophobicContact CB-CE2 4.07Å; R264-F311 HydrophobicContact CB-CZ 4.18Å; R264-E460 IonicContact CZ-OE1 3.3Å; R264-E460 IonicContact NH2-OE1 2.98Å; R264-E460 PolarHBondContact NH2-OE1 2.92Å; R264-Y507 VanDerWaalsContact NE-CG 3.34Å
265	L	90.1	Very high	86.8	Confident	1 Å²	1	39 Å²	39	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-57.8	-44.4	172.5	-80	167.5	0	0	0	112.6	L261 H263 R269 L308 F311 Q312 I315 L343	L261-L265 WeakPolarHBondContact O-CB 3.38Å; L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 2.91Å; H263-L265 PolarHBondContact O-N 3.46Å; L265-R269 VanDerWaalsContact O-CB 3.27Å; L265-R269 WeakPolarHBondContact O-CB 3.27Å; L265-R269 PolarHBondContact O-N 3.17Å; L265-L308 HydrophobicContact CD2-CD1 3.94Å; L265-F311 HydrophobicContact CD2-CB 3.46Å; L265-F311 VanDerWaalsContact CD2-CB 3.46Å; L265-F311 HydrophobicContact CG-CB 3.75Å; L265-Q312 HydrophobicContact CD2-CG 3.66Å; L265-I315 HydrophobicContact CD1-CB 4.36Å; L265-I315 HydrophobicContact CD1-CD1 3.96Å; L265-I315 HydrophobicContact CD1-CG2 3.8Å; L265-L343 HydrophobicContact CB-CB 4.33Å; L265-L343 HydrophobicContact CB-CD1 4.32Å; L265-L343 HydrophobicContact CB-CD2 4.11Å; L265-L343 HydrophobicContact CB-CG 4.48Å; L265-L343 HydrophobicContact CD1-CB 4.39Å
266	R	87.6	Confident	86.7	Confident	61 Å²	61	40.8 Å²	40.8	23%	0.23	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-45.6	179.1	-171.3	-170.8	-66.7	118.2	-13.7	111.6	A262 H263 R264 A270 E339 L343	A262-R266 WeakPolarHBondContact O-CB 3.47Å; A262-R266 PolarHBondContact O-N 2.78Å; H263-R266 WeakPolarHBondContact O-CB 3.41Å; H263-R266 PolarHBondContact O-N 2.86Å; R264-R266 VanDerWaalsContact C-N 3.35Å; R264-R266 PolarHBondContact O-N 3.12Å; R266-A270 PolarHBondContact O-N 3.15Å; R266-E339 IonicContact CZ-OE1 3.04Å; R266-E339 IonicContact CZ-OE2 3.38Å; R266-E339 IonicContact NE-OE1 3.14Å; R266-E339 PolarHBondContact NE-OE1 2.86Å; R266-E339 IonicContact NE-OE2 2.71Å; R266-E339 VanDerWaalsContact NH2-CD 3.28Å; R266-E339 IonicContact NH2-OE1 3.51Å; R266-E339 PolarHBondContact NH2-OE1 2.99Å; R266-E339 IonicContact NH2-OE2 3.24Å; R266-E339 PolarHBondContact NH2-OE2 2.63Å; R266-L343 HydrophobicContact CB-CD2 4.02Å
267	V	86.9	Confident	86.7	Confident	58 Å²	58	42.8 Å²	42.8	35%	0.352	22%	0.223	S	C	.	.	H	α-helix	trans	-65.7	-51.4	177.5	174.6	0	0	0	0	110.7	H263 R264 R269 A270 L271	H263-V267 WeakPolarHBondContact O-CG2 3.43Å; H263-V267 PolarHBondContact O-N 2.81Å; R264-V267 PolarHBondContact O-N 2.88Å; V267-R269 VanDerWaalsContact C-N 3.34Å; V267-R269 PolarHBondContact O-N 2.82Å; V267-A270 WeakPolarHBondContact O-CB 3.37Å; V267-A270 PolarHBondContact O-N 2.91Å; V267-A270 VanDerWaalsContact O-N 3.1Å; V267-L271 HydrophobicContact CG1-CD1 4.05Å; V267-L271 HydrophobicContact CG1-CG 4.38Å; V267-L271 WeakPolarHBondContact O-CG 3.37Å; V267-L271 PolarHBondContact O-N 2.85Å
268	E	89.9	Confident	86.4	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.028	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-35.8	-176.1	-162.3	64.6	-121.2	0	0	112.4	R264 A270 L271 F272 S304 R307 L308 F311	R264-E268 WeakPolarHBondContact O-CB 3.33Å; R264-E268 PolarHBondContact O-N 3.12Å; E268-A270 VanDerWaalsContact C-N 3.33Å; E268-A270 PolarHBondContact O-N 2.99Å; E268-L271 PolarHBondContact O-N 2.99Å; E268-F272 WeakPolarHBondContact O-CB 3.46Å; E268-F272 PolarHBondContact O-N 2.77Å; E268-S304 WeakPolarHBondContact OE1-CA 3.47Å; E268-S304 WeakPolarHBondContact OE1-CB 3.47Å; E268-S304 PolarHBondContact OE1-OG 3.4Å; E268-R307 HydrophobicContact CG-CB 3.7Å; E268-R307 WeakPolarHBondContact OE2-CD 3.34Å; E268-L308 HydrophobicContact CG-CB 4.13Å; E268-F311 HydrophobicContact CB-CD2 4.09Å; E268-F311 HydrophobicContact CB-CE2 3.93Å; E268-F311 HydrophobicContact CG-CD2 4.34Å; E268-F311 HydrophobicContact CG-CE2 4.05Å
269	R	88.6	Confident	86	Confident	25 Å²	25	40 Å²	40	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-38.4	174	-167.6	176.1	-174.2	-179.6	8.7	111.8	L265 V267 V273 L308 V342 S345 S349	L265-R269 VanDerWaalsContact O-CB 3.27Å; L265-R269 WeakPolarHBondContact O-CB 3.27Å; L265-R269 PolarHBondContact O-N 3.17Å; V267-R269 VanDerWaalsContact C-N 3.34Å; V267-R269 PolarHBondContact O-N 2.82Å; R269-V273 WeakPolarHBondContact O-CB 3.3Å; R269-V273 VanDerWaalsContact O-CG2 3.3Å; R269-V273 WeakPolarHBondContact O-CG2 3.32Å; R269-V273 PolarHBondContact O-N 3.48Å; R269-L308 HydrophobicContact CB-CD1 3.98Å; R269-V342 VanDerWaalsContact NH1-CG1 3.28Å; R269-V342 PolarHBondContact NH1-O 3.41Å; R269-S345 PolarHBondContact NH1-OG 2.64Å; R269-S345 VanDerWaalsContact NH1-OG 3.15Å; R269-S345 PolarHBondContact NH2-OG 3.19Å; R269-S345 VanDerWaalsContact NH2-OG 3.09Å; R269-S349 PolarHBondContact NH2-O 2.74Å; R269-S349 PolarHBondContact NH2-OG 3.07Å
270	A	85.8	Confident	85.7	Confident	65 Å²	65	41.6 Å²	41.6	54%	0.537	23%	0.233	S	C	.	.	H	α-helix	trans	-66.1	-41.2	174.2	0	0	0	0	0	111.8	R266 V267 E268 V273 G274	R266-A270 PolarHBondContact O-N 3.15Å; V267-A270 WeakPolarHBondContact O-CB 3.37Å; V267-A270 PolarHBondContact O-N 2.91Å; V267-A270 VanDerWaalsContact O-N 3.1Å; E268-A270 VanDerWaalsContact C-N 3.33Å; E268-A270 PolarHBondContact O-N 2.99Å; A270-V273 PolarHBondContact O-N 2.81Å; A270-G274 PolarHBondContact O-N 3.06Å
271	L	86.2	Confident	85.4	Confident	74 Å²	74	42.3 Å²	42.3	39%	0.387	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-44.5	174.2	-69.1	176	0	0	0	112.1	V267 E268 G274 S275	V267-L271 HydrophobicContact CG1-CD1 4.05Å; V267-L271 HydrophobicContact CG1-CG 4.38Å; V267-L271 WeakPolarHBondContact O-CG 3.37Å; V267-L271 PolarHBondContact O-N 2.85Å; E268-L271 PolarHBondContact O-N 2.99Å; L271-G274 PolarHBondContact O-N 3.24Å; L271-S275 VanDerWaalsContact O-CB 3.32Å; L271-S275 WeakPolarHBondContact O-CB 3.19Å; L271-S275 PolarHBondContact O-N 3.42Å; L271-S275 PolarHBondContact O-OG 3.44Å
272	F	88.5	Confident	84.6	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-45.3	176	177.1	-113.4	0	0	0	112	E268 G274 S275 K276 L305 L308 P347 L396	E268-F272 WeakPolarHBondContact O-CB 3.46Å; E268-F272 PolarHBondContact O-N 2.77Å; F272-G274 VanDerWaalsContact C-N 3.34Å; F272-G274 PolarHBondContact O-N 2.94Å; F272-S275 PolarHBondContact O-N 3.19Å; F272-K276 VanDerWaalsContact O-CB 3.27Å; F272-K276 WeakPolarHBondContact O-CB 3.48Å; F272-K276 PolarHBondContact O-N 2.99Å; F272-L305 HydrophobicContact CD2-CB 3.98Å; F272-L305 HydrophobicContact CD2-CD1 4.49Å; F272-L305 HydrophobicContact CE1-CD1 4.32Å; F272-L305 HydrophobicContact CE2-CB 3.76Å; F272-L305 HydrophobicContact CE2-CD1 4Å; F272-L305 HydrophobicContact CE2-CD2 4.37Å; F272-L305 HydrophobicContact CE2-CG 4.25Å; F272-L305 HydrophobicContact CZ-CD1 3.9Å; F272-L308 HydrophobicContact CD1-CD2 4.31Å; F272-P347 HydrophobicContact CE1-CB 4.13Å; F272-L396 HydrophobicContact CE2-CD2 4.3Å
273	V	84.2	Confident	83.7	Confident	63 Å²	63	46.3 Å²	46.3	38%	0.382	27%	0.267	S	S	.	.	H	α-helix	trans	-62.9	-40.1	176.3	169.7	0	0	0	0	111.6	R269 A270 K277	R269-V273 WeakPolarHBondContact O-CB 3.3Å; R269-V273 VanDerWaalsContact O-CG2 3.3Å; R269-V273 WeakPolarHBondContact O-CG2 3.32Å; R269-V273 PolarHBondContact O-N 3.48Å; A270-V273 PolarHBondContact O-N 2.81Å; V273-K277 WeakPolarHBondContact O-CG 3.35Å; V273-K277 PolarHBondContact O-N 3.45Å; V273-K277 VanDerWaalsContact O-N 3.15Å
274	G	81.3	Confident	82.7	Confident	38 Å²	38	49.6 Å²	49.6	39%	0.392	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-47.9	174.2	0	0	0	0	0	112.5	A270 L271 F272 K277 A278	A270-G274 PolarHBondContact O-N 3.06Å; L271-G274 PolarHBondContact O-N 3.24Å; F272-G274 VanDerWaalsContact C-N 3.34Å; F272-G274 PolarHBondContact O-N 2.94Å; G274-K277 WeakPolarHBondContact O-CB 3.43Å; G274-K277 PolarHBondContact O-N 2.89Å; G274-A278 PolarHBondContact O-N 2.84Å
275	S	83.6	Confident	81.1	Confident	20 Å²	20	52.4 Å²	52.4	14%	0.14	30%	0.304	C	S	.	.	H	α-helix	trans	-66.8	-39.7	-179.2	-54.1	0	0	0	0	112	L271 F272 K277 A278 V279	L271-S275 VanDerWaalsContact O-CB 3.32Å; L271-S275 WeakPolarHBondContact O-CB 3.19Å; L271-S275 PolarHBondContact O-N 3.42Å; L271-S275 PolarHBondContact O-OG 3.44Å; F272-S275 PolarHBondContact O-N 3.19Å; S275-K277 PolarHBondContact O-N 3.47Å; S275-A278 WeakPolarHBondContact O-CB 3.21Å; S275-A278 PolarHBondContact O-N 3.26Å; S275-V279 WeakPolarHBondContact O-CG2 3.5Å; S275-V279 PolarHBondContact O-N 3.4Å
276	K	83.3	Confident	79.4	Confident	82 Å²	82	61.7 Å²	61.7	36%	0.357	35%	0.347	S	S	.	.	H	α-helix	trans	-58.4	-45.2	171.6	-176	-179.9	177.9	-176.1	0	111.4	F272 V279 S280	F272-K276 VanDerWaalsContact O-CB 3.27Å; F272-K276 WeakPolarHBondContact O-CB 3.48Å; F272-K276 PolarHBondContact O-N 2.99Å; K276-V279 PolarHBondContact O-N 2.85Å; K276-S280 PolarHBondContact O-N 3.33Å; K276-S280 PolarHBondContact O-OG 3.19Å
277	K	82.2	Confident	77.7	Confident	149 Å²	149	65.2 Å²	65.2	65%	0.648	37%	0.369	S	S	*	.	H	α-helix	trans	-64.6	-37	174.7	-73.6	177.2	179.1	-176.4	0	112.6	V273 G274 S275 S280 A281	V273-K277 WeakPolarHBondContact O-CG 3.35Å; V273-K277 PolarHBondContact O-N 3.45Å; V273-K277 VanDerWaalsContact O-N 3.15Å; G274-K277 WeakPolarHBondContact O-CB 3.43Å; G274-K277 PolarHBondContact O-N 2.89Å; S275-K277 PolarHBondContact O-N 3.47Å; K277-S280 PolarHBondContact O-N 2.89Å; K277-A281 WeakPolarHBondContact O-CB 3.48Å; K277-A281 PolarHBondContact O-N 3.19Å
278	A	80.1	Confident	76.1	Confident	46 Å²	46	72 Å²	72	38%	0.38	40%	0.397	S	S	.	.	H	α-helix	trans	-65.8	-41.5	175.4	0	0	0	0	0	111.9	G274 S275 A281 V282	G274-A278 PolarHBondContact O-N 2.84Å; S275-A278 WeakPolarHBondContact O-CB 3.21Å; S275-A278 PolarHBondContact O-N 3.26Å; A278-A281 PolarHBondContact O-N 2.95Å; A278-V282 WeakPolarHBondContact O-CB 3.42Å; A278-V282 VanDerWaalsContact O-CG2 3.31Å; A278-V282 WeakPolarHBondContact O-CG2 3.42Å; A278-V282 PolarHBondContact O-N 3.04Å
279	V	80.7	Confident	74.5	Confident	4 Å²	4	74.2 Å²	74.2	2%	0.024	41%	0.411	C	S	.	.	H	α-helix	trans	-59.8	-49.5	172.6	169	0	0	0	0	110.8	S275 K276 A281 V282 L283 A297 L298 A301 L396	S275-V279 WeakPolarHBondContact O-CG2 3.5Å; S275-V279 PolarHBondContact O-N 3.4Å; K276-V279 PolarHBondContact O-N 2.85Å; V279-A281 PolarHBondContact O-N 2.92Å; V279-V282 PolarHBondContact O-N 3.39Å; V279-L283 HydrophobicContact CG1-CD1 3.68Å; V279-L283 HydrophobicContact CG1-CG 4.45Å; V279-L283 WeakPolarHBondContact O-CD1 3.11Å; V279-L283 VanDerWaalsContact O-CG 3.27Å; V279-L283 WeakPolarHBondContact O-CG 3.32Å; V279-L283 PolarHBondContact O-N 2.99Å; V279-A297 HydrophobicContact CG2-CB 4.07Å; V279-A297 VanDerWaalsContact CG2-O 3.29Å; V279-A297 WeakPolarHBondContact CG2-O 3.46Å; V279-L298 HydrophobicContact CG1-CD2 3.62Å; V279-L298 HydrophobicContact CG1-CG 4.45Å; V279-L298 HydrophobicContact CG2-CD2 4.11Å; V279-L298 HydrophobicContact CG2-CG 4.43Å; V279-A301 HydrophobicContact CG2-CB 3.94Å; V279-L396 WeakPolarHBondContact CG1-O 3.22Å
280	S	79.9	Confident	73.3	Confident	52 Å²	52	77.6 Å²	77.6	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-56.4	-50.2	174.7	-60.4	0	0	0	0	112	K276 K277 V282 L283 D284	K276-S280 PolarHBondContact O-N 3.33Å; K276-S280 PolarHBondContact O-OG 3.19Å; K277-S280 PolarHBondContact O-N 2.89Å; S280-V282 PolarHBondContact O-N 3.29Å; S280-V282 VanDerWaalsContact O-N 3.17Å; S280-L283 WeakPolarHBondContact O-CA 3.27Å; S280-L283 WeakPolarHBondContact O-CB 3.37Å; S280-L283 PolarHBondContact O-N 3.17Å; S280-D284 PolarHBondContact O-N 3.1Å
281	A	77.4	Confident	72.5	Confident	48 Å²	48	83 Å²	83	40%	0.397	44%	0.442	S	S	.	.	H	α-helix	trans	-62.9	-25.2	179.2	0	0	0	0	0	114	K277 A278 V279 N285	K277-A281 WeakPolarHBondContact O-CB 3.48Å; K277-A281 PolarHBondContact O-N 3.19Å; A278-A281 PolarHBondContact O-N 2.95Å; V279-A281 PolarHBondContact O-N 2.92Å; A281-N285 PolarHBondContact O-ND2 3.1Å
282	V	74.3	Confident	71.8	Confident	37 Å²	37	83 Å²	83	22%	0.224	45%	0.448	C	S	.	.	H	α-helix	trans	-79.7	-29	172.8	164.2	0	0	0	0	112.1	A278 V279 S280 V289 K294	A278-V282 WeakPolarHBondContact O-CB 3.42Å; A278-V282 VanDerWaalsContact O-CG2 3.31Å; A278-V282 WeakPolarHBondContact O-CG2 3.42Å; A278-V282 PolarHBondContact O-N 3.04Å; V279-V282 PolarHBondContact O-N 3.39Å; S280-V282 PolarHBondContact O-N 3.29Å; S280-V282 VanDerWaalsContact O-N 3.17Å; V282-V289 HydrophobicContact CG1-CG1 4.07Å; V282-K294 HydrophobicContact CG1-CB 3.81Å; V282-K294 HydrophobicContact CG1-CG 4.05Å
283	L	70.8	Confident	71	Confident	53 Å²	53	91 Å²	91	28%	0.277	48%	0.478	S	S	.	.	H	α-helix	trans	-79.8	-38.5	176.4	-67.4	162.3	0	0	0	112.3	V279 S280 N285 K294	V279-L283 HydrophobicContact CG1-CD1 3.68Å; V279-L283 HydrophobicContact CG1-CG 4.45Å; V279-L283 WeakPolarHBondContact O-CD1 3.11Å; V279-L283 VanDerWaalsContact O-CG 3.27Å; V279-L283 WeakPolarHBondContact O-CG 3.32Å; V279-L283 PolarHBondContact O-N 2.99Å; S280-L283 WeakPolarHBondContact O-CA 3.27Å; S280-L283 WeakPolarHBondContact O-CB 3.37Å; S280-L283 PolarHBondContact O-N 3.17Å; L283-N285 VanDerWaalsContact C-N 3.32Å; L283-N285 PolarHBondContact O-N 3.08Å; L283-K294 HydrophobicContact CD2-CD 4.44Å
284	D	66	Low	70.4	Confident	125 Å²	125	92.4 Å²	92.4	67%	0.668	48%	0.479	S	S	*	.	H	α-helix	trans	-70.9	-26.4	-177.6	-63.6	-28.5	0	0	0	112.9	S280 Q286	S280-D284 PolarHBondContact O-N 3.1Å; D284-Q286 PolarHBondContact O-N 2.69Å; D284-Q286 VanDerWaalsContact O-N 3.17Å
285	N	56.5	Low	70.2	Confident	91 Å²	91	94.8 Å²	94.8	49%	0.487	48%	0.483	S	S	.	.			trans	-79.7	96.8	179.1	-85.8	-66.6	0	0	0	111.8	A281 L283 I287 V289	A281-N285 PolarHBondContact O-ND2 3.1Å; L283-N285 VanDerWaalsContact C-N 3.32Å; L283-N285 PolarHBondContact O-N 3.08Å; N285-I287 PolarHBondContact O-N 3.42Å; N285-V289 HydrophobicContact CB-CG2 4.29Å
286	Q	53.7	Low	70	Confident	197 Å²	197	98.5 Å²	98.5	92%	0.921	50%	0.498	S	S	*	.			trans	-64.1	10.5	173.5	-63.9	-171.3	-10	0	0	115.3	D284	D284-Q286 PolarHBondContact O-N 2.69Å; D284-Q286 VanDerWaalsContact O-N 3.17Å
287	I	52.5	Low	69.8	Low	135 Å²	135	95.2 Å²	95.2	69%	0.692	49%	0.486	S	S	*	.	S	Bend	trans	-101.8	94.1	-176	-54.8	173.6	0	0	0	109.2	N285 V289	N285-I287 PolarHBondContact O-N 3.42Å; I287-V289 VanDerWaalsContact C-N 3.26Å; I287-V289 WeakPolarHBondContact O-CG2 3.48Å; I287-V289 PolarHBondContact O-N 2.94Å
288	H	53.1	Low	69.9	Low	200 Å²	200	90.3 Å²	90.3	93%	0.926	47%	0.466	S	S	*	.			trans	20.6	59.9	167	-104.6	-71.1	0	0	0	115.4	D290	H288-D290 PolarHBondContact O-N 3.18Å
289	V	55.2	Low	70	Confident	53 Å²	53	91.7 Å²	91.7	32%	0.321	47%	0.465	S	S	.	.			trans	-73.7	125.1	177.7	-173.5	0	0	0	0	108	V282 N285 I287 K291 R293	V282-V289 HydrophobicContact CG1-CG1 4.07Å; N285-V289 HydrophobicContact CB-CG2 4.29Å; I287-V289 VanDerWaalsContact C-N 3.26Å; I287-V289 WeakPolarHBondContact O-CG2 3.48Å; I287-V289 PolarHBondContact O-N 2.94Å; V289-K291 PolarHBondContact O-N 3.04Å; V289-R293 HydrophobicContact CG1-CB 4.36Å
290	D	64.7	Low	70.2	Confident	95 Å²	95	96 Å²	96	51%	0.508	49%	0.485	S	S	.	.			trans	-48.8	121.6	176.3	-173.2	-10.7	0	0	0	110.5	H288 S292 R293 K294	H288-D290 PolarHBondContact O-N 3.18Å; D290-S292 PolarHBondContact O-N 3.44Å; D290-S292 PolarHBondContact OD1-N 3.39Å; D290-R293 HydrophobicContact CB-CG 4.26Å; D290-R293 PolarHBondContact O-N 3.4Å; D290-K294 PolarHBondContact O-N 2.96Å
291	K	68.8	Low	70.4	Confident	178 Å²	178	93.5 Å²	93.5	77%	0.774	47%	0.468	S	S	*	.	H	α-helix	trans	-51.9	-34.3	-175.8	-74	-171.4	176	-171.5	0	111.1	V289 R293 K294 L295	V289-K291 PolarHBondContact O-N 3.04Å; K291-R293 PolarHBondContact O-N 3.17Å; K291-K294 PolarHBondContact O-N 2.9Å; K291-L295 PolarHBondContact O-N 3.42Å
292	S	71	Confident	70.9	Confident	75 Å²	75	92 Å²	92	52%	0.524	45%	0.451	S	S	.	.	H	α-helix	trans	-60.5	-41.8	176.9	-166.8	0	0	0	0	113	D290 L295 Q296	D290-S292 PolarHBondContact O-N 3.44Å; D290-S292 PolarHBondContact OD1-N 3.39Å; S292-L295 PolarHBondContact O-N 2.94Å; S292-Q296 WeakPolarHBondContact O-CB 3.28Å; S292-Q296 PolarHBondContact O-N 3.16Å
293	R	71.4	Confident	71.6	Confident	170 Å²	170	91.4 Å²	91.4	64%	0.642	45%	0.447	S	S	*	.	H	α-helix	trans	-71.5	-37.3	-178.8	-67.1	-175.7	-176.3	179.3	2.4	112.2	V289 D290 K291 Q296 A297	V289-R293 HydrophobicContact CG1-CB 4.36Å; D290-R293 HydrophobicContact CB-CG 4.26Å; D290-R293 PolarHBondContact O-N 3.4Å; K291-R293 PolarHBondContact O-N 3.17Å; R293-Q296 PolarHBondContact O-N 3.39Å; R293-A297 WeakPolarHBondContact O-CB 3.27Å; R293-A297 PolarHBondContact O-N 2.99Å
294	K	72.2	Confident	72.5	Confident	92 Å²	92	89.2 Å²	89.2	40%	0.4	44%	0.436	S	S	.	.	H	α-helix	trans	-63	-45.6	173.4	179.4	175.9	174.5	175.5	0	111.2	V282 L283 D290 K291 L298	V282-K294 HydrophobicContact CG1-CB 3.81Å; V282-K294 HydrophobicContact CG1-CG 4.05Å; L283-K294 HydrophobicContact CD2-CD 4.44Å; D290-K294 PolarHBondContact O-N 2.96Å; K291-K294 PolarHBondContact O-N 2.9Å; K294-L298 HydrophobicContact CG-CD1 4.08Å; K294-L298 WeakPolarHBondContact O-CD1 3.25Å; K294-L298 WeakPolarHBondContact O-CG 3.33Å; K294-L298 PolarHBondContact O-N 3.29Å; K294-L298 VanDerWaalsContact O-N 3.16Å
295	L	76.6	Confident	73.6	Confident	88 Å²	88	83.3 Å²	83.3	46%	0.461	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-45.7	177.4	-164.8	80.3	0	0	0	111.5	K291 S292 L298 Q299	K291-L295 PolarHBondContact O-N 3.42Å; S292-L295 PolarHBondContact O-N 2.94Å; L295-L298 PolarHBondContact O-N 3.4Å; L295-Q299 WeakPolarHBondContact O-CG 3.35Å; L295-Q299 PolarHBondContact O-N 2.91Å
296	Q	79.4	Confident	75.3	Confident	99 Å²	99	79 Å²	79	46%	0.463	38%	0.381	S	S	.	.	H	α-helix	trans	-61.3	-48.9	178.6	-177.1	-179.4	-10	0	0	112.2	S292 R293 L298 Q299 E300	S292-Q296 WeakPolarHBondContact O-CB 3.28Å; S292-Q296 PolarHBondContact O-N 3.16Å; R293-Q296 PolarHBondContact O-N 3.39Å; Q296-L298 VanDerWaalsContact C-N 3.28Å; Q296-L298 PolarHBondContact O-N 3.19Å; Q296-Q299 PolarHBondContact O-N 3.07Å; Q296-Q299 VanDerWaalsContact O-N 3.08Å; Q296-E300 HydrophobicContact CG-CG 4.44Å; Q296-E300 WeakPolarHBondContact CG-OE1 3.28Å; Q296-E300 PolarHBondContact NE2-OE1 3.45Å; Q296-E300 WeakPolarHBondContact O-CG 3.41Å; Q296-E300 PolarHBondContact O-N 3.46Å
297	A	79.9	Confident	77.1	Confident	13 Å²	13	70.4 Å²	70.4	11%	0.107	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-37.1	179.1	0	0	0	0	0	112.5	V279 R293 A301	V279-A297 HydrophobicContact CG2-CB 4.07Å; V279-A297 VanDerWaalsContact CG2-O 3.29Å; V279-A297 WeakPolarHBondContact CG2-O 3.46Å; R293-A297 WeakPolarHBondContact O-CB 3.27Å; R293-A297 PolarHBondContact O-N 2.99Å; A297-A301 WeakPolarHBondContact O-CB 3.3Å; A297-A301 PolarHBondContact O-N 3.35Å; A297-A301 VanDerWaalsContact O-N 3.12Å
298	L	83.3	Confident	79	Confident	45 Å²	45	64 Å²	64	24%	0.236	31%	0.307	C	S	.	.	H	α-helix	trans	-67.1	-39.5	174	-73.7	166.8	0	0	0	112.3	V279 K294 L295 Q296 R302 L396	V279-L298 HydrophobicContact CG1-CD2 3.62Å; V279-L298 HydrophobicContact CG1-CG 4.45Å; V279-L298 HydrophobicContact CG2-CD2 4.11Å; V279-L298 HydrophobicContact CG2-CG 4.43Å; K294-L298 HydrophobicContact CG-CD1 4.08Å; K294-L298 WeakPolarHBondContact O-CD1 3.25Å; K294-L298 WeakPolarHBondContact O-CG 3.33Å; K294-L298 PolarHBondContact O-N 3.29Å; K294-L298 VanDerWaalsContact O-N 3.16Å; L295-L298 PolarHBondContact O-N 3.4Å; Q296-L298 VanDerWaalsContact C-N 3.28Å; Q296-L298 PolarHBondContact O-N 3.19Å; L298-R302 VanDerWaalsContact O-CB 3.32Å; L298-R302 WeakPolarHBondContact O-CB 3.11Å; L298-R302 PolarHBondContact O-N 3.05Å; L298-R302 VanDerWaalsContact O-N 3.07Å; L298-L396 HydrophobicContact CD2-CB 3.83Å
299	Q	83	Confident	80.8	Confident	75 Å²	75	55.9 Å²	55.9	35%	0.35	27%	0.269	S	S	.	.	H	α-helix	trans	-65.9	-48.2	176.6	-74.7	173.4	-10.5	0	0	111.7	L295 Q296 A301 R302 E303 W500	L295-Q299 WeakPolarHBondContact O-CG 3.35Å; L295-Q299 PolarHBondContact O-N 2.91Å; Q296-Q299 PolarHBondContact O-N 3.07Å; Q296-Q299 VanDerWaalsContact O-N 3.08Å; Q299-A301 PolarHBondContact O-N 2.98Å; Q299-R302 PolarHBondContact O-N 3.02Å; Q299-R302 VanDerWaalsContact O-N 3.13Å; Q299-E303 PolarHBondContact O-N 3.42Å; Q299-W500 HydrophobicContact CG-CZ2 4.5Å
300	E	83.5	Confident	82.6	Confident	94 Å²	94	53.4 Å²	53.4	44%	0.439	25%	0.254	S	S	.	.	H	α-helix	trans	-58.1	-48	177.6	-71.6	172	-172.9	0	0	111.3	Q296 R302 E303 S304	Q296-E300 HydrophobicContact CG-CG 4.44Å; Q296-E300 WeakPolarHBondContact CG-OE1 3.28Å; Q296-E300 PolarHBondContact NE2-OE1 3.45Å; Q296-E300 WeakPolarHBondContact O-CG 3.41Å; Q296-E300 PolarHBondContact O-N 3.46Å; E300-R302 VanDerWaalsContact C-N 3.29Å; E300-R302 PolarHBondContact O-N 2.93Å; E300-E303 PolarHBondContact O-N 3.26Å; E300-S304 PolarHBondContact O-N 3.12Å
301	A	85.9	Confident	84	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-35	176.1	0	0	0	0	0	113.3	V279 A297 Q299 L305 L396	V279-A301 HydrophobicContact CG2-CB 3.94Å; A297-A301 WeakPolarHBondContact O-CB 3.3Å; A297-A301 PolarHBondContact O-N 3.35Å; A297-A301 VanDerWaalsContact O-N 3.12Å; Q299-A301 PolarHBondContact O-N 2.98Å; A301-L305 PolarHBondContact O-N 3.2Å; A301-L305 VanDerWaalsContact O-N 3.13Å; A301-L396 HydrophobicContact CB-CD1 3.87Å
302	R	87.4	Confident	85.1	Confident	16 Å²	16	41 Å²	41	6%	0.06	20%	0.195	C	C	.	.	H	α-helix	trans	-73.8	-40.2	177.8	-172.6	172	-175.7	-115	-2.6	112.3	L298 Q299 E300 L305 H306 V392 L396 W500	L298-R302 VanDerWaalsContact O-CB 3.32Å; L298-R302 WeakPolarHBondContact O-CB 3.11Å; L298-R302 PolarHBondContact O-N 3.05Å; L298-R302 VanDerWaalsContact O-N 3.07Å; Q299-R302 PolarHBondContact O-N 3.02Å; Q299-R302 VanDerWaalsContact O-N 3.13Å; E300-R302 VanDerWaalsContact C-N 3.29Å; E300-R302 PolarHBondContact O-N 2.93Å; R302-L305 PolarHBondContact O-N 3.43Å; R302-H306 VanDerWaalsContact O-CG 3.32Å; R302-H306 PolarHBondContact O-N 3.02Å; R302-V392 PolarHBondContact NE-O 3.46Å; R302-V392 PolarHBondContact NH2-O 3.09Å; R302-L396 HydrophobicContact CB-CD1 4.22Å; R302-W500 PolarHBondContact NH1-O 2.86Å; R302-W500 PolarHBondContact NH2-O 3.4Å; R302-W500 VanDerWaalsContact NH2-O 3.15Å
303	E	88.7	Confident	86	Confident	26 Å²	26	40.2 Å²	40.2	12%	0.121	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-44.5	173.6	-67.7	-162.6	159.6	0	0	111.9	Q299 E300 L305 H306 R307 R433 Y466 W500	Q299-E303 PolarHBondContact O-N 3.42Å; E300-E303 PolarHBondContact O-N 3.26Å; E303-L305 VanDerWaalsContact C-N 3.3Å; E303-L305 PolarHBondContact O-N 3.26Å; E303-H306 PolarHBondContact O-N 2.87Å; E303-H306 VanDerWaalsContact O-N 3.15Å; E303-R307 PolarHBondContact O-N 3.33Å; E303-R307 IonicContact OE2-CZ 3.97Å; E303-R307 IonicContact OE2-NH1 3.75Å; E303-R307 IonicContact OE2-NH2 2.79Å; E303-R307 PolarHBondContact OE2-NH2 2.97Å; E303-R433 IonicContact OE1-NH2 3.71Å; E303-R433 PolarHBondContact OE1-NH2 3.02Å; E303-R433 IonicContact OE2-NH2 2.73Å; E303-Y466 VanDerWaalsContact CD-OH 3.32Å; E303-Y466 PolarHBondContact OE1-OH 3.01Å; E303-W500 HydrophobicContact CG-CH2 3.54Å; E303-W500 HydrophobicContact CG-CZ3 4.01Å
304	S	89.3	Confident	87	Confident	7 Å²	7	32.6 Å²	32.6	5%	0.049	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-37.3	175.9	-79.9	0	0	0	0	112.8	E268 E300 R307 L308	E268-S304 WeakPolarHBondContact OE1-CA 3.47Å; E268-S304 WeakPolarHBondContact OE1-CB 3.47Å; E268-S304 PolarHBondContact OE1-OG 3.4Å; E300-S304 PolarHBondContact O-N 3.12Å; S304-R307 PolarHBondContact O-N 3.41Å; S304-L308 VanDerWaalsContact O-CB 3.27Å; S304-L308 WeakPolarHBondContact O-CB 3.32Å; S304-L308 PolarHBondContact O-N 3.36Å
305	L	90.2	Very high	88	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-63.5	-41.8	173.5	-176.1	58.7	0	0	0	112	F272 A301 R302 E303 Y309 P347 I391 N394	F272-L305 HydrophobicContact CD2-CB 3.98Å; F272-L305 HydrophobicContact CD2-CD1 4.49Å; F272-L305 HydrophobicContact CE1-CD1 4.32Å; F272-L305 HydrophobicContact CE2-CB 3.76Å; F272-L305 HydrophobicContact CE2-CD1 4Å; F272-L305 HydrophobicContact CE2-CD2 4.37Å; F272-L305 HydrophobicContact CE2-CG 4.25Å; F272-L305 HydrophobicContact CZ-CD1 3.9Å; A301-L305 PolarHBondContact O-N 3.2Å; A301-L305 VanDerWaalsContact O-N 3.13Å; R302-L305 PolarHBondContact O-N 3.43Å; E303-L305 VanDerWaalsContact C-N 3.3Å; E303-L305 PolarHBondContact O-N 3.26Å; L305-Y309 PolarHBondContact O-N 2.88Å; L305-P347 HydrophobicContact CD1-CB 3.7Å; L305-P347 HydrophobicContact CD1-CG 4.02Å; L305-I391 HydrophobicContact CG-CG2 4.36Å; L305-N394 HydrophobicContact CD2-CB 4.15Å; L305-N394 WeakPolarHBondContact CD2-ND2 3.35Å
306	H	91.6	Very high	88.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.2	-46.5	175.6	-62.4	164.3	0	0	0	111.9	R302 E303 L308 Y309 L310 W500 L502	R302-H306 VanDerWaalsContact O-CG 3.32Å; R302-H306 PolarHBondContact O-N 3.02Å; E303-H306 PolarHBondContact O-N 2.87Å; E303-H306 VanDerWaalsContact O-N 3.15Å; H306-L308 PolarHBondContact O-N 2.82Å; H306-Y309 PolarHBondContact O-N 2.86Å; H306-L310 WeakPolarHBondContact O-CG 3.47Å; H306-L310 PolarHBondContact O-N 2.89Å; H306-W500 AromaticContact ND1-CZ3 3.97Å; H306-L502 HydrophobicContact CB-CB 3.88Å; H306-L502 HydrophobicContact CB-CD2 4.16Å; H306-L502 HydrophobicContact CB-CG 4.44Å; H306-L502 PolarHBondContact ND1-N 3.5Å
307	R	92.4	Very high	89.2	Confident	17 Å²	17	26.1 Å²	26.1	6%	0.064	13%	0.13	C	C	.	.	H	α-helix	trans	-58.7	-45.8	176.7	-71.7	-174.4	-164.8	88.4	17.9	111.7	E268 E303 S304 Y309 L310 F311 E462 L502	E268-R307 HydrophobicContact CG-CB 3.7Å; E268-R307 WeakPolarHBondContact OE2-CD 3.34Å; E303-R307 PolarHBondContact O-N 3.33Å; E303-R307 IonicContact OE2-CZ 3.97Å; E303-R307 IonicContact OE2-NH1 3.75Å; E303-R307 IonicContact OE2-NH2 2.79Å; E303-R307 PolarHBondContact OE2-NH2 2.97Å; S304-R307 PolarHBondContact O-N 3.41Å; R307-Y309 VanDerWaalsContact C-N 3.31Å; R307-Y309 PolarHBondContact O-N 2.79Å; R307-L310 PolarHBondContact O-N 3.19Å; R307-F311 HydrophobicContact CB-CE2 3.97Å; R307-F311 HydrophobicContact CB-CZ 4.35Å; R307-F311 WeakPolarHBondContact O-CD2 3.1Å; R307-F311 VanDerWaalsContact O-CG 3.28Å; R307-F311 WeakPolarHBondContact O-CG 3.28Å; R307-F311 PolarHBondContact O-N 2.94Å; R307-E462 IonicContact CZ-OE1 3.24Å; R307-E462 IonicContact NE-OE1 2.72Å; R307-E462 PolarHBondContact NE-OE1 2.89Å; R307-L502 HydrophobicContact CG-CD2 3.7Å
308	L	90.8	Very high	89.6	Confident	1 Å²	1	27 Å²	27	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-56.9	-44.7	177.7	-177.1	64	0	0	0	111.6	L265 E268 R269 F272 S304 H306 F311 Q312 P347	L265-L308 HydrophobicContact CD2-CD1 3.94Å; E268-L308 HydrophobicContact CG-CB 4.13Å; R269-L308 HydrophobicContact CB-CD1 3.98Å; F272-L308 HydrophobicContact CD1-CD2 4.31Å; S304-L308 VanDerWaalsContact O-CB 3.27Å; S304-L308 WeakPolarHBondContact O-CB 3.32Å; S304-L308 PolarHBondContact O-N 3.36Å; H306-L308 PolarHBondContact O-N 2.82Å; L308-F311 PolarHBondContact O-N 3.07Å; L308-Q312 WeakPolarHBondContact O-CG 3.48Å; L308-Q312 PolarHBondContact O-N 3.42Å; L308-P347 HydrophobicContact CD2-CB 3.81Å; L308-P347 HydrophobicContact CD2-CG 3.84Å; L308-P347 HydrophobicContact CG-CG 4.47Å
309	Y	91.9	Very high	89.9	Confident	29 Å²	29	26 Å²	26	11%	0.114	13%	0.128	C	C	.	.	H	α-helix	trans	-63.3	-47.4	175.1	176.9	-111.6	0	0	0	112.8	L305 H306 R307 F311 Q312 E313 F387 P388 I391	L305-Y309 PolarHBondContact O-N 2.88Å; H306-Y309 PolarHBondContact O-N 2.86Å; R307-Y309 VanDerWaalsContact C-N 3.31Å; R307-Y309 PolarHBondContact O-N 2.79Å; Y309-F311 VanDerWaalsContact C-N 3.29Å; Y309-F311 PolarHBondContact O-N 3.14Å; Y309-Q312 PolarHBondContact O-N 2.85Å; Y309-Q312 VanDerWaalsContact O-N 3.1Å; Y309-E313 HydrophobicContact CD2-CG 4.13Å; Y309-E313 HydrophobicContact CE1-CG 4.06Å; Y309-E313 HydrophobicContact CE2-CG 3.56Å; Y309-E313 WeakPolarHBondContact CE2-OE1 3.42Å; Y309-E313 PolarHBondContact O-N 2.83Å; Y309-F387 AromaticContact CD1-CD1 3.85Å; Y309-F387 HydrophobicContact CD1-CD1 3.85Å; Y309-F387 AromaticContact CD1-CE1 3.53Å; Y309-F387 HydrophobicContact CD1-CE1 3.53Å; Y309-F387 HydrophobicContact CD1-CZ 4.18Å; Y309-F387 AromaticContact CE1-CD1 3.92Å; Y309-F387 HydrophobicContact CE1-CD1 3.92Å; Y309-F387 AromaticContact CE1-CE1 3.91Å; Y309-F387 HydrophobicContact CE1-CE1 3.91Å; Y309-F387 HydrophobicContact CE1-CG 4.41Å; Y309-F387 HydrophobicContact CE1-CZ 4.36Å; Y309-P388 HydrophobicContact CE2-CG 4.06Å; Y309-P388 WeakPolarHBondContact OH-CD 3.47Å; Y309-I391 HydrophobicContact CD1-CD1 4.15Å; Y309-I391 HydrophobicContact CD2-CD1 3.27Å; Y309-I391 HydrophobicContact CE2-CD1 3.74Å; Y309-I391 HydrophobicContact CG-CD1 3.51Å
310	L	93	Very high	90	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-56.6	-43.1	178	-69.5	170.2	0	0	0	111.7	H306 R307 S314 F387 L502 A503 V505 P527	H306-L310 WeakPolarHBondContact O-CG 3.47Å; H306-L310 PolarHBondContact O-N 2.89Å; R307-L310 PolarHBondContact O-N 3.19Å; L310-S314 WeakPolarHBondContact O-CB 3.36Å; L310-S314 PolarHBondContact O-N 3.3Å; L310-S314 PolarHBondContact O-OG 2.71Å; L310-F387 HydrophobicContact CD2-CZ 3.85Å; L310-F387 HydrophobicContact CG-CZ 4.39Å; L310-L502 HydrophobicContact CD1-CD2 4.21Å; L310-L502 HydrophobicContact CD1-CG 3.98Å; L310-A503 WeakPolarHBondContact CD2-O 3.41Å; L310-V505 HydrophobicContact CB-CG1 4.38Å; L310-V505 HydrophobicContact CD1-CB 4.38Å; L310-V505 HydrophobicContact CD1-CG1 4.01Å; L310-P527 HydrophobicContact CD2-CG 4.46Å
311	F	93.4	Very high	90.1	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-68.1	-38.1	176.3	-59.2	-36.9	0	0	0	112.8	L261 R264 L265 E268 R307 L308 Y309 S314 I315 V505 Y507 L526	L261-F311 HydrophobicContact CD2-CD1 4.48Å; R264-F311 HydrophobicContact CB-CD2 4.27Å; R264-F311 HydrophobicContact CB-CE1 4.46Å; R264-F311 HydrophobicContact CB-CE2 4.07Å; R264-F311 HydrophobicContact CB-CZ 4.18Å; L265-F311 HydrophobicContact CD2-CB 3.46Å; L265-F311 VanDerWaalsContact CD2-CB 3.46Å; L265-F311 HydrophobicContact CG-CB 3.75Å; E268-F311 HydrophobicContact CB-CD2 4.09Å; E268-F311 HydrophobicContact CB-CE2 3.93Å; E268-F311 HydrophobicContact CG-CD2 4.34Å; E268-F311 HydrophobicContact CG-CE2 4.05Å; R307-F311 HydrophobicContact CB-CE2 3.97Å; R307-F311 HydrophobicContact CB-CZ 4.35Å; R307-F311 WeakPolarHBondContact O-CD2 3.1Å; R307-F311 VanDerWaalsContact O-CG 3.28Å; R307-F311 WeakPolarHBondContact O-CG 3.28Å; R307-F311 PolarHBondContact O-N 2.94Å; L308-F311 PolarHBondContact O-N 3.07Å; Y309-F311 VanDerWaalsContact C-N 3.29Å; Y309-F311 PolarHBondContact O-N 3.14Å; F311-S314 WeakPolarHBondContact O-CB 3.37Å; F311-S314 PolarHBondContact O-N 2.96Å; F311-I315 PolarHBondContact O-N 2.9Å; F311-V505 HydrophobicContact CD1-CG1 4.42Å; F311-V505 HydrophobicContact CE1-CG1 3.66Å; F311-V505 HydrophobicContact CZ-CG1 4.16Å; F311-Y507 AromaticContact CE1-CE2 3.86Å; F311-Y507 HydrophobicContact CE1-CE2 3.86Å; F311-Y507 AromaticContact CZ-CE2 3.69Å; F311-Y507 HydrophobicContact CZ-CE2 3.69Å; F311-L526 HydrophobicContact CD1-CD1 4.07Å; F311-L526 HydrophobicContact CE1-CD1 4.04Å
312	Q	92	Very high	90	Very high	11 Å²	11	38.8 Å²	38.8	5%	0.051	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-44.8	175.8	-76.3	-175.6	-21.5	0	0	111.5	L265 L308 Y309 S314 K316 L343 S345	L265-Q312 HydrophobicContact CD2-CG 3.66Å; L308-Q312 WeakPolarHBondContact O-CG 3.48Å; L308-Q312 PolarHBondContact O-N 3.42Å; Y309-Q312 PolarHBondContact O-N 2.85Å; Y309-Q312 VanDerWaalsContact O-N 3.1Å; Q312-S314 VanDerWaalsContact C-N 3.27Å; Q312-S314 PolarHBondContact O-N 2.88Å; Q312-K316 WeakPolarHBondContact O-CD 3.4Å; Q312-K316 WeakPolarHBondContact O-CG 3.1Å; Q312-K316 PolarHBondContact O-N 2.66Å; Q312-L343 PolarHBondContact NE2-O 2.98Å; Q312-S345 PolarHBondContact NE2-O 2.96Å
313	E	90.9	Very high	89.6	Confident	59 Å²	59	39.5 Å²	39.5	28%	0.276	19%	0.187	S	C	.	.	H	α-helix	trans	-68.5	-24.6	174.7	-63.7	-48.2	133.5	0	0	113.2	Y309 K316 P317 P527	Y309-E313 HydrophobicContact CD2-CG 4.13Å; Y309-E313 HydrophobicContact CE1-CG 4.06Å; Y309-E313 HydrophobicContact CE2-CG 3.56Å; Y309-E313 WeakPolarHBondContact CE2-OE1 3.42Å; Y309-E313 PolarHBondContact O-N 2.83Å; E313-K316 IonicContact OE1-NZ 2.64Å; E313-K316 PolarHBondContact OE1-NZ 3.39Å; E313-K316 IonicContact OE2-NZ 3.88Å; E313-P317 WeakPolarHBondContact O-CD 3.32Å; E313-P527 HydrophobicContact CB-CB 4.09Å; E313-P527 HydrophobicContact CB-CG 4.19Å
314	S	92.5	Very high	88.8	Confident	10 Å²	10	43.4 Å²	43.4	7%	0.07	21%	0.214	C	C	.	.	H	α-helix	trans	-74.3	-39.3	176.4	-60.1	0	0	0	0	113.6	L310 F311 Q312 P317 L526 P527	L310-S314 WeakPolarHBondContact O-CB 3.36Å; L310-S314 PolarHBondContact O-N 3.3Å; L310-S314 PolarHBondContact O-OG 2.71Å; F311-S314 WeakPolarHBondContact O-CB 3.37Å; F311-S314 PolarHBondContact O-N 2.96Å; Q312-S314 VanDerWaalsContact C-N 3.27Å; Q312-S314 PolarHBondContact O-N 2.88Å; S314-P317 WeakPolarHBondContact O-CD 3.3Å; S314-P317 WeakPolarHBondContact O-CG 3.29Å; S314-L526 WeakPolarHBondContact OG-CB 3.13Å; S314-P527 VanDerWaalsContact OG-CA 3.24Å; S314-P527 WeakPolarHBondContact OG-CA 3.37Å
315	I	92.3	Very high	87.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-84.9	-33.6	-174.5	-153.4	171.7	0	0	0	112.2	V258 L261 A262 L265 F311 L318 L319 M340 L344	V258-I315 HydrophobicContact CG1-CD1 4.47Å; L261-I315 HydrophobicContact CB-CB 4.36Å; L261-I315 HydrophobicContact CB-CD1 3.76Å; L261-I315 HydrophobicContact CB-CG1 4.07Å; L261-I315 HydrophobicContact CD1-CB 4.29Å; L261-I315 HydrophobicContact CD1-CG1 4.29Å; A262-I315 HydrophobicContact CB-CD1 4.32Å; L265-I315 HydrophobicContact CD1-CB 4.36Å; L265-I315 HydrophobicContact CD1-CD1 3.96Å; L265-I315 HydrophobicContact CD1-CG2 3.8Å; F311-I315 PolarHBondContact O-N 2.9Å; I315-L318 WeakPolarHBondContact O-CB 3.21Å; I315-L318 PolarHBondContact O-N 3.18Å; I315-L319 HydrophobicContact CG1-CD1 4.2Å; I315-L319 HydrophobicContact CG1-CG 4.31Å; I315-L319 HydrophobicContact CG2-CD1 4.31Å; I315-L319 WeakPolarHBondContact O-CG 3.25Å; I315-L319 PolarHBondContact O-N 3.21Å; I315-L319 VanDerWaalsContact O-N 3.13Å; I315-M340 HydrophobicContact CD1-CE 3.72Å; I315-M340 HydrophobicContact CG1-CE 4.41Å; I315-L344 HydrophobicContact CG2-CD2 3.58Å
316	K	91.1	Very high	86.5	Confident	69 Å²	69	51.4 Å²	51.4	30%	0.3	25%	0.253	S	S	.	.	H	α-helix	trans	-46.9	-50.3	176.9	-80.1	167.8	-170	177	0	114.5	Q312 E313 K320 L344	Q312-K316 WeakPolarHBondContact O-CD 3.4Å; Q312-K316 WeakPolarHBondContact O-CG 3.1Å; Q312-K316 PolarHBondContact O-N 2.66Å; E313-K316 IonicContact OE1-NZ 2.64Å; E313-K316 PolarHBondContact OE1-NZ 3.39Å; E313-K316 IonicContact OE2-NZ 3.88Å; K316-K320 WeakPolarHBondContact O-CG 3.29Å; K316-K320 PolarHBondContact O-N 3.39Å; K316-L344 HydrophobicContact CG-CD2 4.12Å
317	P	89.5	Confident	85.5	Confident	73 Å²	73	56 Å²	56	47%	0.474	27%	0.273	S	S	.	.	H	α-helix	trans	-69	-31	179.6	26.1	-34.8	0	0	0	113.3	E313 S314 K320 R321	E313-P317 WeakPolarHBondContact O-CD 3.32Å; S314-P317 WeakPolarHBondContact O-CD 3.3Å; S314-P317 WeakPolarHBondContact O-CG 3.29Å; P317-K320 PolarHBondContact O-N 2.79Å; P317-R321 PolarHBondContact O-N 2.96Å
318	L	88.5	Confident	84.7	Confident	33 Å²	33	58.8 Å²	58.8	17%	0.173	29%	0.293	C	S	.	.	H	α-helix	trans	-68.5	-38.3	178.5	-63.1	172.8	0	0	0	112	W254 K257 V258 L261 I315 R321	W254-L318 PolarHBondContact NE1-O 2.99Å; K257-L318 HydrophobicContact CD-CD1 3.9Å; K257-L318 HydrophobicContact CD-CD2 4.31Å; K257-L318 HydrophobicContact CG-CD1 3.96Å; V258-L318 HydrophobicContact CG2-CB 4.18Å; L261-L318 HydrophobicContact CD1-CD1 3.52Å; I315-L318 WeakPolarHBondContact O-CB 3.21Å; I315-L318 PolarHBondContact O-N 3.18Å; L318-R321 CarbonylContact O-C 3.56Å
319	L	89.3	Confident	83.9	Confident	22 Å²	22	65 Å²	65	12%	0.115	33%	0.327	C	S	.	.	H	α-helix	trans	-73.4	-34.4	177.3	-59.8	167.5	0	0	0	112.1	V258 I315 R321 V335 M340 L344	V258-L319 HydrophobicContact CG1-CD2 4.07Å; I315-L319 HydrophobicContact CG1-CD1 4.2Å; I315-L319 HydrophobicContact CG1-CG 4.31Å; I315-L319 HydrophobicContact CG2-CD1 4.31Å; I315-L319 WeakPolarHBondContact O-CG 3.25Å; I315-L319 PolarHBondContact O-N 3.21Å; I315-L319 VanDerWaalsContact O-N 3.13Å; L319-R321 VanDerWaalsContact C-N 3.3Å; L319-R321 PolarHBondContact O-N 3.49Å; L319-V335 HydrophobicContact CD2-CG2 4.15Å; L319-M340 HydrophobicContact CD1-CE 3.42Å; L319-M340 VanDerWaalsContact CD1-CE 3.42Å; L319-M340 HydrophobicContact CD2-CE 3.67Å; L319-M340 HydrophobicContact CG-CE 4.13Å; L319-L344 HydrophobicContact CD1-CD1 3.82Å
320	K	87.1	Confident	83.2	Confident	174 Å²	174	67.5 Å²	67.5	76%	0.757	34%	0.34	S	S	*	.	H	α-helix	trans	-71.7	-20.5	177	-75.2	-179.6	178.2	-175.3	0	114	K316 P317	K316-K320 WeakPolarHBondContact O-CG 3.29Å; K316-K320 PolarHBondContact O-N 3.39Å; P317-K320 PolarHBondContact O-N 2.79Å
321	R	84.1	Confident	82.7	Confident	214 Å²	214	68.4 Å²	68.4	81%	0.808	35%	0.345	S	S	*	.	S	Bend	trans	-140.2	69.5	-176.5	-64.3	-175.6	-178.1	173.4	0.3	110.7	P317 L318 L319	P317-R321 PolarHBondContact O-N 2.96Å; L318-R321 CarbonylContact O-C 3.56Å; L319-R321 VanDerWaalsContact C-N 3.3Å; L319-R321 PolarHBondContact O-N 3.49Å
322	P	83.7	Confident	82.1	Confident	50 Å²	50	71 Å²	71	33%	0.325	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-64.4	153.9	170.4	30.7	-35.4	0	0	0	110.4	W254 I331	W254-P322 HydrophobicContact CH2-CB 4.45Å; W254-P322 HydrophobicContact CZ2-CB 3.85Å; P322-I331 HydrophobicContact CB-CD1 4.12Å; P322-I331 HydrophobicContact CB-CG1 4.49Å; P322-I331 HydrophobicContact CB-CG2 3.8Å; P322-I331 HydrophobicContact CG-CG2 3.9Å
323	P	80.1	Confident	81.6	Confident	32 Å²	32	73.4 Å²	73.4	21%	0.208	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-63.9	155	174	28.1	-35.2	0	0	0	111.1	W254 T325	W254-P323 HydrophobicContact CB-CG 3.72Å; W254-P323 VanDerWaalsContact CD1-CD 3.45Å; W254-P323 HydrophobicContact CD2-CG 4.42Å; W254-P323 HydrophobicContact CG-CG 3.94Å; P323-T325 HydrophobicContact CB-CG2 4.45Å; P323-T325 HydrophobicContact CG-CG2 4.1Å; P323-T325 WeakPolarHBondContact O-CG2 3.45Å; P323-T325 PolarHBondContact O-N 3.16Å
324	P	71.6	Confident	81.2	Confident	107 Å²	107	70.9 Å²	70.9	70%	0.695	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-67.9	127.4	169.8	28.7	-33.1	0	0	0	109.9
325	T	69.3	Low	80.8	Confident	32 Å²	32	72.8 Å²	72.8	20%	0.196	38%	0.38	C	S	.	.			trans	-144.2	163.8	-177.9	77.7	0	0	0	0	112	F251 P323 F327 I331	F251-T325 HydrophobicContact CB-CG2 3.6Å; F251-T325 HydrophobicContact CD2-CG2 3.69Å; F251-T325 HydrophobicContact CG-CG2 3.86Å; P323-T325 HydrophobicContact CB-CG2 4.45Å; P323-T325 HydrophobicContact CG-CG2 4.1Å; P323-T325 WeakPolarHBondContact O-CG2 3.45Å; P323-T325 PolarHBondContact O-N 3.16Å; T325-F327 PolarHBondContact O-N 3.09Å; T325-F327 PolarHBondContact OG1-N 3.36Å; T325-F327 VanDerWaalsContact OG1-N 3.11Å; T325-I331 HydrophobicContact CG2-CD1 4.11Å; T325-I331 WeakPolarHBondContact OG1-CD1 3.32Å
326	H	62.6	Low	80.4	Confident	145 Å²	145	78.4 Å²	78.4	67%	0.671	41%	0.411	S	S	*	.	S	Bend	trans	-81.1	8.4	170.1	-66.9	-78.9	0	0	0	113.6	P328	H326-P328 VanDerWaalsContact C-CD 3.44Å; H326-P328 WeakPolarHBondContact O-CD 3.27Å
327	F	69.1	Low	80.1	Confident	97 Å²	97	75.7 Å²	75.7	43%	0.425	40%	0.399	S	S	.	.			trans	-127	57.8	-173.4	-53	-68.8	0	0	0	112.6	F251 T325 D329 M330 I331	F251-F327 HydrophobicContact CD1-CD2 4.36Å; T325-F327 PolarHBondContact O-N 3.09Å; T325-F327 PolarHBondContact OG1-N 3.36Å; T325-F327 VanDerWaalsContact OG1-N 3.11Å; F327-D329 VanDerWaalsContact C-N 3.3Å; F327-D329 PolarHBondContact O-N 2.86Å; F327-M330 HydrophobicContact CB-CB 4.22Å; F327-M330 PolarHBondContact O-N 2.65Å; F327-M330 VanDerWaalsContact O-N 3.09Å; F327-I331 PolarHBondContact O-N 2.99Å
328	P	75	Confident	79.8	Confident	75 Å²	75	75.6 Å²	75.6	49%	0.487	40%	0.399	S	S	.	.	H	α-helix	trans	-56.6	-42	-177.8	24.4	-34	0	0	0	112.4	H326 M330 I331 S332	H326-P328 VanDerWaalsContact C-CD 3.44Å; H326-P328 WeakPolarHBondContact O-CD 3.27Å; P328-M330 PolarHBondContact O-N 3.28Å; P328-I331 WeakPolarHBondContact O-CA 2.94Å; P328-I331 WeakPolarHBondContact O-CB 3.02Å; P328-I331 PolarHBondContact O-N 3.24Å; P328-S332 PolarHBondContact O-N 3.15Å; P328-S332 PolarHBondContact O-OG 3.03Å
329	D	75.6	Confident	79.6	Confident	132 Å²	132	75 Å²	75	71%	0.706	40%	0.395	S	S	*	.	H	α-helix	trans	-58.9	-32	179	-51.4	-26.5	0	0	0	112.8	F327 S333	F327-D329 VanDerWaalsContact C-N 3.3Å; F327-D329 PolarHBondContact O-N 2.86Å; D329-S333 WeakPolarHBondContact O-CB 3.5Å; D329-S333 PolarHBondContact O-N 3.44Å; D329-S333 PolarHBondContact O-OG 2.98Å; D329-S333 VanDerWaalsContact O-OG 3.07Å
330	M	76.7	Confident	79.5	Confident	80 Å²	80	74 Å²	74	39%	0.394	39%	0.39	S	S	.	.	H	α-helix	trans	-77.5	-28.7	176.8	-166.3	176.1	-100.9	0	0	112	F251 K255 F327 P328 S333 I334	F251-M330 HydrophobicContact CE1-CG 4.4Å; F251-M330 HydrophobicContact CE1-SD 3.65Å; F251-M330 HydrophobicContact CZ-CB 4Å; F251-M330 HydrophobicContact CZ-CG 3.77Å; F251-M330 HydrophobicContact CZ-SD 3.6Å; F251-M330 VanDerWaalsContact CZ-SD 3.6Å; K255-M330 PolarHBondContact NZ-SD 3.08Å; F327-M330 HydrophobicContact CB-CB 4.22Å; F327-M330 PolarHBondContact O-N 2.65Å; F327-M330 VanDerWaalsContact O-N 3.09Å; P328-M330 PolarHBondContact O-N 3.28Å; M330-S333 WeakPolarHBondContact CA-OG 3.47Å; M330-S333 PolarHBondContact O-OG 2.89Å; M330-S333 VanDerWaalsContact O-OG 3.11Å; M330-I334 HydrophobicContact CG-CD1 4.47Å; M330-I334 WeakPolarHBondContact O-CD1 3.31Å; M330-I334 WeakPolarHBondContact O-CG1 3.48Å; M330-I334 PolarHBondContact O-N 3.21Å
331	I	81.8	Confident	79.4	Confident	21 Å²	21	69 Å²	69	11%	0.108	38%	0.381	C	S	.	.	H	α-helix	trans	-68.8	-49.3	170.5	-66.4	166.2	0	0	0	109.2	F251 W254 P322 T325 F327 P328 S333 I334 V335	F251-I331 HydrophobicContact CD2-CG1 4.4Å; F251-I331 HydrophobicContact CE2-CG1 3.84Å; W254-I331 HydrophobicContact CH2-CG1 4.42Å; W254-I331 HydrophobicContact CH2-CG2 4.09Å; W254-I331 HydrophobicContact CZ3-CG1 4.23Å; P322-I331 HydrophobicContact CB-CD1 4.12Å; P322-I331 HydrophobicContact CB-CG1 4.49Å; P322-I331 HydrophobicContact CB-CG2 3.8Å; P322-I331 HydrophobicContact CG-CG2 3.9Å; T325-I331 HydrophobicContact CG2-CD1 4.11Å; T325-I331 WeakPolarHBondContact OG1-CD1 3.32Å; F327-I331 PolarHBondContact O-N 2.99Å; P328-I331 WeakPolarHBondContact O-CA 2.94Å; P328-I331 WeakPolarHBondContact O-CB 3.02Å; P328-I331 PolarHBondContact O-N 3.24Å; I331-S333 PolarHBondContact O-N 3.02Å; I331-I334 PolarHBondContact O-N 3.19Å; I331-I334 VanDerWaalsContact O-N 3.09Å; I331-V335 HydrophobicContact CG2-CG2 4.02Å; I331-V335 WeakPolarHBondContact O-CG2 3.34Å; I331-V335 PolarHBondContact O-N 2.96Å
332	S	81.7	Confident	79.4	Confident	54 Å²	54	60.2 Å²	60.2	38%	0.378	35%	0.351	S	S	.	.	H	α-helix	trans	-58.2	-45.3	177.4	-55.8	0	0	0	0	112	P328 I334 V335 D336	P328-S332 PolarHBondContact O-N 3.15Å; P328-S332 PolarHBondContact O-OG 3.03Å; S332-I334 PolarHBondContact O-N 2.93Å; S332-I334 VanDerWaalsContact O-N 3.09Å; S332-V335 PolarHBondContact O-N 2.84Å; S332-D336 VanDerWaalsContact O-CB 3.27Å; S332-D336 WeakPolarHBondContact O-CB 3.13Å; S332-D336 PolarHBondContact O-N 3.1Å
333	S	81.2	Confident	79.5	Confident	62 Å²	62	58.1 Å²	58.1	43%	0.434	34%	0.337	S	S	.	.	H	α-helix	trans	-63.3	-18	177.9	59.2	0	0	0	0	114.9	D329 M330 I331	D329-S333 WeakPolarHBondContact O-CB 3.5Å; D329-S333 PolarHBondContact O-N 3.44Å; D329-S333 PolarHBondContact O-OG 2.98Å; D329-S333 VanDerWaalsContact O-OG 3.07Å; M330-S333 WeakPolarHBondContact CA-OG 3.47Å; M330-S333 PolarHBondContact O-OG 2.89Å; M330-S333 VanDerWaalsContact O-OG 3.11Å; I331-S333 PolarHBondContact O-N 3.02Å
334	I	82.8	Confident	79.8	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.036	34%	0.341	C	S	.	.	H	α-helix	trans	-92.8	-42.7	173.1	-65.5	167.2	0	0	0	111.2	W254 K255 V258 M330 I331 S332 M340 L360	W254-I334 HydrophobicContact CH2-CB 4.5Å; W254-I334 HydrophobicContact CH2-CG2 4.26Å; W254-I334 HydrophobicContact CZ3-CD1 4.09Å; K255-I334 HydrophobicContact CD-CD1 4.25Å; K255-I334 HydrophobicContact CG-CD1 4.06Å; V258-I334 HydrophobicContact CG1-CG2 3.76Å; M330-I334 HydrophobicContact CG-CD1 4.47Å; M330-I334 WeakPolarHBondContact O-CD1 3.31Å; M330-I334 WeakPolarHBondContact O-CG1 3.48Å; M330-I334 PolarHBondContact O-N 3.21Å; I331-I334 PolarHBondContact O-N 3.19Å; I331-I334 VanDerWaalsContact O-N 3.09Å; S332-I334 PolarHBondContact O-N 2.93Å; S332-I334 VanDerWaalsContact O-N 3.09Å; I334-M340 WeakPolarHBondContact O-CG 3.47Å; I334-L360 HydrophobicContact CG2-CD2 4.35Å
335	V	84.7	Confident	80.5	Confident	49 Å²	49	55.4 Å²	55.4	30%	0.297	32%	0.317	S	S	.	.	H	α-helix	trans	-72.4	-39.3	-176.7	173.4	0	0	0	0	111.6	W254 L319 I331 S332	W254-V335 HydrophobicContact CH2-CG2 4.36Å; W254-V335 HydrophobicContact CZ2-CG2 4.47Å; L319-V335 HydrophobicContact CD2-CG2 4.15Å; I331-V335 HydrophobicContact CG2-CG2 4.02Å; I331-V335 WeakPolarHBondContact O-CG2 3.34Å; I331-V335 PolarHBondContact O-N 2.96Å; S332-V335 PolarHBondContact O-N 2.84Å
336	D	83.5	Confident	81.1	Confident	119 Å²	119	56.3 Å²	56.3	64%	0.636	33%	0.325	S	S	*	.	S	Bend	trans	-92.9	6.6	-177.5	-53.8	-42.1	0	0	0	112.8	S332	S332-D336 VanDerWaalsContact O-CB 3.27Å; S332-D336 WeakPolarHBondContact O-CB 3.13Å; S332-D336 PolarHBondContact O-N 3.1Å
337	D	83.8	Confident	81.6	Confident	11 Å²	11	50.2 Å²	50.2	6%	0.059	30%	0.298	C	S	.	.			trans	-61.1	127.6	175.2	-171	-61.4	0	0	0	109.6	E339 M340 S359	D337-E339 PolarHBondContact O-N 3.19Å; D337-E339 VanDerWaalsContact O-N 3.09Å; D337-E339 WeakPolarHBondContact OD1-CB 3.5Å; D337-E339 PolarHBondContact OD1-N 2.6Å; D337-M340 HydrophobicContact CB-CG 4.26Å; D337-M340 WeakPolarHBondContact O-CB 3.39Å; D337-M340 PolarHBondContact O-N 3.04Å; D337-S359 WeakPolarHBondContact OD2-CB 3.36Å; D337-S359 PolarHBondContact OD2-N 3.38Å; D337-S359 PolarHBondContact OD2-OG 2.93Å
338	P	83.1	Confident	81.8	Confident	72 Å²	72	50.1 Å²	50.1	47%	0.468	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-23	-176.5	25.7	-36.2	0	0	0	113.3	M340 V342 F354	P338-M340 VanDerWaalsContact C-N 3.34Å; P338-V342 WeakPolarHBondContact O-CG2 3.44Å; P338-V342 PolarHBondContact O-N 3.44Å; P338-F354 HydrophobicContact CB-CE2 4.02Å; P338-F354 HydrophobicContact CB-CZ 3.69Å; P338-F354 HydrophobicContact CG-CE1 4.09Å; P338-F354 HydrophobicContact CG-CE2 4.39Å; P338-F354 HydrophobicContact CG-CZ 3.58Å
339	E	83.8	Confident	81.6	Confident	19 Å²	19	48.4 Å²	48.4	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-67.1	-33.9	172.4	-169.3	174.5	-158.9	0	0	111.9	R266 D337 A341 V342 L343 S358 L360	R266-E339 IonicContact CZ-OE1 3.04Å; R266-E339 IonicContact CZ-OE2 3.38Å; R266-E339 IonicContact NE-OE1 3.14Å; R266-E339 PolarHBondContact NE-OE1 2.86Å; R266-E339 IonicContact NE-OE2 2.71Å; R266-E339 VanDerWaalsContact NH2-CD 3.28Å; R266-E339 IonicContact NH2-OE1 3.51Å; R266-E339 PolarHBondContact NH2-OE1 2.99Å; R266-E339 IonicContact NH2-OE2 3.24Å; R266-E339 PolarHBondContact NH2-OE2 2.63Å; D337-E339 PolarHBondContact O-N 3.19Å; D337-E339 VanDerWaalsContact O-N 3.09Å; D337-E339 WeakPolarHBondContact OD1-CB 3.5Å; D337-E339 PolarHBondContact OD1-N 2.6Å; E339-A341 PolarHBondContact O-N 3.21Å; E339-V342 CarbonylContact O-C 3.48Å; E339-V342 WeakPolarHBondContact O-CA 3.4Å; E339-V342 WeakPolarHBondContact O-CB 3.4Å; E339-V342 PolarHBondContact O-N 3.49Å; E339-V342 VanDerWaalsContact O-N 3.13Å; E339-L343 HydrophobicContact CG-CD1 4.23Å; E339-L343 HydrophobicContact CG-CG 4.21Å; E339-L343 WeakPolarHBondContact O-CG 3.21Å; E339-L343 PolarHBondContact O-N 3.13Å; E339-S358 VanDerWaalsContact OE2-CB 3.23Å; E339-S358 WeakPolarHBondContact OE2-CB 3.33Å; E339-S358 PolarHBondContact OE2-OG 3.5Å; E339-L360 HydrophobicContact CB-CD1 4.34Å
340	M	87.1	Confident	80.6	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-41.3	178.3	-70.7	-64.9	-67.5	0	0	112.1	A262 I315 L319 I334 D337 P338 V342 L343 L344 L360	A262-M340 HydrophobicContact CB-SD 3.97Å; I315-M340 HydrophobicContact CD1-CE 3.72Å; I315-M340 HydrophobicContact CG1-CE 4.41Å; L319-M340 HydrophobicContact CD1-CE 3.42Å; L319-M340 VanDerWaalsContact CD1-CE 3.42Å; L319-M340 HydrophobicContact CD2-CE 3.67Å; L319-M340 HydrophobicContact CG-CE 4.13Å; I334-M340 WeakPolarHBondContact O-CG 3.47Å; D337-M340 HydrophobicContact CB-CG 4.26Å; D337-M340 WeakPolarHBondContact O-CB 3.39Å; D337-M340 PolarHBondContact O-N 3.04Å; P338-M340 VanDerWaalsContact C-N 3.34Å; M340-V342 VanDerWaalsContact C-N 3.26Å; M340-V342 PolarHBondContact O-N 2.83Å; M340-L343 PolarHBondContact O-N 3.44Å; M340-L343 HydrophobicContact SD-CD1 4.32Å; M340-L344 WeakPolarHBondContact O-CB 3.39Å; M340-L344 WeakPolarHBondContact O-CG 3.38Å; M340-L344 PolarHBondContact O-N 2.87Å; M340-L360 HydrophobicContact CG-CD1 3.99Å; M340-L360 HydrophobicContact SD-CD1 3.84Å
341	A	85.1	Confident	79.6	Confident	70 Å²	70	48.9 Å²	48.9	58%	0.579	29%	0.291	S	S	*	.	H	α-helix	trans	-60.4	-38.5	173.1	0	0	0	0	0	111.4	E339 S345	E339-A341 PolarHBondContact O-N 3.21Å; A341-S345 PolarHBondContact O-N 3.07Å
342	V	84	Confident	78.2	Confident	28 Å²	28	53.7 Å²	53.7	17%	0.17	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-50.9	173.1	173.9	0	0	0	0	110.6	R269 P338 E339 M340 L344 S345 T351 F354	R269-V342 VanDerWaalsContact NH1-CG1 3.28Å; R269-V342 PolarHBondContact NH1-O 3.41Å; P338-V342 WeakPolarHBondContact O-CG2 3.44Å; P338-V342 PolarHBondContact O-N 3.44Å; E339-V342 CarbonylContact O-C 3.48Å; E339-V342 WeakPolarHBondContact O-CA 3.4Å; E339-V342 WeakPolarHBondContact O-CB 3.4Å; E339-V342 PolarHBondContact O-N 3.49Å; E339-V342 VanDerWaalsContact O-N 3.13Å; M340-V342 VanDerWaalsContact C-N 3.26Å; M340-V342 PolarHBondContact O-N 2.83Å; V342-L344 VanDerWaalsContact C-N 3.26Å; V342-L344 PolarHBondContact O-N 2.87Å; V342-S345 WeakPolarHBondContact O-CB 3.25Å; V342-S345 PolarHBondContact O-N 3.48Å; V342-S345 VanDerWaalsContact O-N 3.12Å; V342-S345 PolarHBondContact O-OG 3.3Å; V342-T351 HydrophobicContact CG1-CG2 4.38Å; V342-T351 HydrophobicContact CG2-CG2 4.24Å; V342-F354 HydrophobicContact CG2-CD2 4.15Å
343	L	86	Confident	76.7	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.037	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-30.7	-179	-66.8	175.7	0	0	0	113.7	A262 L265 R266 Q312 E339 M340	A262-L343 HydrophobicContact CB-CD1 4.06Å; L265-L343 HydrophobicContact CB-CB 4.33Å; L265-L343 HydrophobicContact CB-CD1 4.32Å; L265-L343 HydrophobicContact CB-CD2 4.11Å; L265-L343 HydrophobicContact CB-CG 4.48Å; L265-L343 HydrophobicContact CD1-CB 4.39Å; R266-L343 HydrophobicContact CB-CD2 4.02Å; Q312-L343 PolarHBondContact NE2-O 2.98Å; E339-L343 HydrophobicContact CG-CD1 4.23Å; E339-L343 HydrophobicContact CG-CG 4.21Å; E339-L343 WeakPolarHBondContact O-CG 3.21Å; E339-L343 PolarHBondContact O-N 3.13Å; M340-L343 PolarHBondContact O-N 3.44Å; M340-L343 HydrophobicContact SD-CD1 4.32Å
344	L	87.4	Confident	75.3	Confident	54 Å²	54	56 Å²	56	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-86.2	-9.4	177.4	-70.3	176.1	0	0	0	114.7	I315 K316 L319 M340 V342	I315-L344 HydrophobicContact CG2-CD2 3.58Å; K316-L344 HydrophobicContact CG-CD2 4.12Å; L319-L344 HydrophobicContact CD1-CD1 3.82Å; M340-L344 WeakPolarHBondContact O-CB 3.39Å; M340-L344 WeakPolarHBondContact O-CG 3.38Å; M340-L344 PolarHBondContact O-N 2.87Å; V342-L344 VanDerWaalsContact C-N 3.26Å; V342-L344 PolarHBondContact O-N 2.87Å
345	S	85.6	Confident	73.6	Confident	28 Å²	28	64.5 Å²	64.5	20%	0.196	37%	0.371	C	S	.	.	S	Bend	trans	-63.9	160.4	177	66.8	0	0	0	0	112.6	R269 Q312 A341 V342 S349	R269-S345 PolarHBondContact NH1-OG 2.64Å; R269-S345 VanDerWaalsContact NH1-OG 3.15Å; R269-S345 PolarHBondContact NH2-OG 3.19Å; R269-S345 VanDerWaalsContact NH2-OG 3.09Å; Q312-S345 PolarHBondContact NE2-O 2.96Å; A341-S345 PolarHBondContact O-N 3.07Å; V342-S345 WeakPolarHBondContact O-CB 3.25Å; V342-S345 PolarHBondContact O-N 3.48Å; V342-S345 VanDerWaalsContact O-N 3.12Å; V342-S345 PolarHBondContact O-OG 3.3Å; S345-S349 PolarHBondContact OG-OG 2.88Å
346	S	81.7	Confident	71.7	Confident	51 Å²	51	64.3 Å²	64.3	36%	0.357	38%	0.378	S	S	.	.			trans	-53.1	136.2	177.9	170.5	0	0	0	0	111.8	W348 S349	S346-W348 PolarHBondContact O-N 2.86Å; S346-W348 PolarHBondContact OG-N 3.1Å; S346-S349 WeakPolarHBondContact O-CB 3.42Å; S346-S349 PolarHBondContact O-N 3.45Å; S346-S349 PolarHBondContact O-OG 3.15Å
347	P	74.7	Confident	70	Confident	16 Å²	16	67.1 Å²	67.1	10%	0.104	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-26	173.9	-28.9	36.6	0	0	0	114.6	F272 L305 L308	F272-P347 HydrophobicContact CE1-CB 4.13Å; L305-P347 HydrophobicContact CD1-CB 3.7Å; L305-P347 HydrophobicContact CD1-CG 4.02Å; L308-P347 HydrophobicContact CD2-CB 3.81Å; L308-P347 HydrophobicContact CD2-CG 3.84Å; L308-P347 HydrophobicContact CG-CG 4.47Å
348	W	73	Confident	68.6	Low	96 Å²	96	68.7 Å²	68.7	36%	0.364	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-7.5	-179.5	-47.4	-67.4	0	0	0	113.7	S346 N350 E390 I391 N394	S346-W348 PolarHBondContact O-N 2.86Å; S346-W348 PolarHBondContact OG-N 3.1Å; W348-N350 PolarHBondContact O-N 2.81Å; W348-E390 HydrophobicContact CH2-CB 3.67Å; W348-E390 VanDerWaalsContact CH2-OE2 3.29Å; W348-E390 WeakPolarHBondContact CH2-OE2 3.42Å; W348-E390 HydrophobicContact CZ2-CB 4.07Å; W348-E390 WeakPolarHBondContact CZ3-OE2 3.46Å; W348-I391 HydrophobicContact CH2-CG1 4.44Å; W348-I391 HydrophobicContact CZ2-CG1 4.46Å; W348-N394 PolarHBondContact NE1-ND2 3.45Å
349	S	69.5	Low	67.5	Low	39 Å²	39	68.4 Å²	68.4	27%	0.273	41%	0.405	S	S	.	.			trans	-68	130.3	176.6	63.4	0	0	0	0	111.4	R269 S345 S346 T351	R269-S349 PolarHBondContact NH2-O 2.74Å; R269-S349 PolarHBondContact NH2-OG 3.07Å; S345-S349 PolarHBondContact OG-OG 2.88Å; S346-S349 WeakPolarHBondContact O-CB 3.42Å; S346-S349 PolarHBondContact O-N 3.45Å; S346-S349 PolarHBondContact O-OG 3.15Å; S349-T351 PolarHBondContact O-N 3.42Å
350	N	56	Low	66.5	Low	148 Å²	148	67.9 Å²	67.9	79%	0.791	40%	0.402	S	S	*	.			trans	-77.1	20.6	179.5	-75.8	-21.1	0	0	0	113.4	W348 T352	W348-N350 PolarHBondContact O-N 2.81Å; N350-T352 PolarHBondContact O-N 2.97Å
351	T	54.7	Low	65.4	Low	74 Å²	74	74 Å²	74	45%	0.454	44%	0.435	S	S	.	.			trans	-63.1	109.3	-178.2	-46.7	0	0	0	0	109.9	V342 S349	V342-T351 HydrophobicContact CG1-CG2 4.38Å; V342-T351 HydrophobicContact CG2-CG2 4.24Å; S349-T351 PolarHBondContact O-N 3.42Å
352	T	53.3	Low	64.5	Low	121 Å²	121	76.7 Å²	76.7	74%	0.742	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-62.6	151.6	-178.2	42.8	0	0	0	0	112	N350 F354	N350-T352 PolarHBondContact O-N 2.97Å; T352-F354 PolarHBondContact O-N 3.49Å
353	A	50.1	Low	63.6	Low	75 Å²	75	76.7 Å²	76.7	62%	0.62	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-50.2	135.1	-177.6	0	0	0	0	0	112.5	H355	A353-H355 PolarHBondContact O-CD2 3.07Å; A353-H355 PolarHBondContact O-N 3.42Å
354	F	51.2	Low	62.5	Low	89 Å²	89	78.9 Å²	78.9	39%	0.39	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-68	120.4	-179.4	-149.2	-99.6	0	0	0	109.8	P338 V342 T352	P338-F354 HydrophobicContact CB-CE2 4.02Å; P338-F354 HydrophobicContact CB-CZ 3.69Å; P338-F354 HydrophobicContact CG-CE1 4.09Å; P338-F354 HydrophobicContact CG-CE2 4.39Å; P338-F354 HydrophobicContact CG-CZ 3.58Å; V342-F354 HydrophobicContact CG2-CD2 4.15Å; T352-F354 PolarHBondContact O-N 3.49Å
355	H	46.7	Very low	61.6	Low	187 Å²	187	79.2 Å²	79.2	87%	0.866	46%	0.46	S	S	*	.			trans	-102.9	12.2	-178.8	-83	-63.3	0	0	0	113.5	A353	A353-H355 PolarHBondContact O-CD2 3.07Å; A353-H355 PolarHBondContact O-N 3.42Å
356	G	46.2	Very low	60.9	Low	44 Å²	44	78.9 Å²	78.9	45%	0.454	46%	0.457	S	S	.	.	S	Bend	trans	-91.2	169.6	177.5	0	0	0	0	0	114.5	S358	G356-S358 PolarHBondContact O-N 2.91Å
357	N	46.9	Very low	60.5	Low	178 Å²	178	77.1 Å²	77.1	95%	0.952	44%	0.444	S	S	*	.			trans	-67.4	92.5	169.2	-76.1	-26.5	0	0	0	110
358	S	54.6	Low	60.7	Low	44 Å²	44	77.2 Å²	77.2	31%	0.308	45%	0.446	S	S	.	.			trans	-65.3	139.9	168.7	173.7	0	0	0	0	110.8	E339 G356 L360	E339-S358 VanDerWaalsContact OE2-CB 3.23Å; E339-S358 WeakPolarHBondContact OE2-CB 3.33Å; E339-S358 PolarHBondContact OE2-OG 3.5Å; G356-S358 PolarHBondContact O-N 2.91Å; S358-L360 VanDerWaalsContact C-N 3.25Å; S358-L360 WeakPolarHBondContact OG-CB 3.4Å; S358-L360 PolarHBondContact OG-N 3.39Å; S358-L360 VanDerWaalsContact OG-N 3.08Å
359	S	58.8	Low	60.8	Low	67 Å²	67	72.6 Å²	72.6	47%	0.469	43%	0.429	S	S	.	.	S	Bend	trans	-77.2	-16.9	172	77	0	0	0	0	112.3	D337 L361	D337-S359 WeakPolarHBondContact OD2-CB 3.36Å; D337-S359 PolarHBondContact OD2-N 3.38Å; D337-S359 PolarHBondContact OD2-OG 2.93Å; S359-L361 PolarHBondContact O-N 3.02Å
360	L	64.5	Low	61.3	Low	7 Å²	7	71.9 Å²	71.9	4%	0.037	42%	0.423	C	S	.	.			trans	-77.5	85.5	-172.6	-54.8	179.7	0	0	0	111.4	M259 A262 I334 E339 M340 S358 I362	M259-L360 VanDerWaalsContact CE-C 3.48Å; M259-L360 VanDerWaalsContact CE-CA 3.5Å; M259-L360 HydrophobicContact CE-CB 4.04Å; M259-L360 HydrophobicContact CE-CD2 4.33Å; M259-L360 HydrophobicContact SD-CD2 3.8Å; A262-L360 HydrophobicContact CB-CD1 4.27Å; I334-L360 HydrophobicContact CG2-CD2 4.35Å; E339-L360 HydrophobicContact CB-CD1 4.34Å; M340-L360 HydrophobicContact CG-CD1 3.99Å; M340-L360 HydrophobicContact SD-CD1 3.84Å; S358-L360 VanDerWaalsContact C-N 3.25Å; S358-L360 WeakPolarHBondContact OG-CB 3.4Å; S358-L360 PolarHBondContact OG-N 3.39Å; S358-L360 VanDerWaalsContact OG-N 3.08Å; L360-I362 PolarHBondContact O-N 3.38Å
361	L	62.9	Low	62.6	Low	132 Å²	132	65.7 Å²	65.7	69%	0.691	39%	0.393	S	S	*	.			trans	-37.6	132	167.2	-72.7	164.4	0	0	0	112.6	M259 S359	M259-L361 HydrophobicContact CE-CB 3.72Å; M259-L361 WeakPolarHBondContact CE-O 3.41Å; S359-L361 PolarHBondContact O-N 3.02Å
362	I	66.5	Low	64	Low	126 Å²	126	63.4 Å²	63.4	65%	0.646	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-73.5	128.8	174.7	-59.5	174.1	0	0	0	108.2	L360	L360-I362 PolarHBondContact O-N 3.38Å
363	P	65.3	Low	65.7	Low	28 Å²	28	57.6 Å²	57.6	18%	0.182	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-54.8	152.5	173.9	-25.2	34	0	0	0	112.4	E260 H263	E260-P363 VanDerWaalsContact OE2-CB 3.23Å; E260-P363 WeakPolarHBondContact OE2-CB 3.34Å; E260-P363 VanDerWaalsContact OE2-CG 3.25Å; E260-P363 WeakPolarHBondContact OE2-CG 3.29Å; H263-P363 HydrophobicContact CB-CG 3.78Å
364	S	62.9	Low	67.6	Low	53 Å²	53	56.3 Å²	56.3	37%	0.371	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-61.3	131.1	175.9	57.3	0	0	0	0	110.2	R509	S364-R509 PolarHBondContact O-NH1 2.69Å; S364-R509 VanDerWaalsContact O-NH1 3.14Å
365	P	69.5	Low	69.6	Low	60 Å²	60	52 Å²	52	39%	0.39	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-64	137.9	-179.1	27.6	-34.6	0	0	0	110	E190	E190-P365 HydrophobicContact CG-CG 4.39Å
366	P	70.8	Confident	71.8	Confident	21 Å²	21	48.1 Å²	48.1	14%	0.136	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-66.7	140.7	-179.9	23.6	-31.5	0	0	0	111.9	K459 E460 R509	P366-K459 HydrophobicContact CB-CB 4.1Å; P366-K459 HydrophobicContact CG-CB 3.92Å; P366-K459 HydrophobicContact CG-CD 4.29Å; P366-E460 HydrophobicContact CB-CG 4.11Å; P366-E460 HydrophobicContact CG-CG 3.78Å; P366-R509 HydrophobicContact CB-CG 4.42Å
367	T	72.1	Confident	73.9	Confident	15 Å²	15	46 Å²	46	9%	0.092	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-67.9	137.2	-179.7	-48.7	0	0	0	0	111.1	N194 E511 L542	N194-T367 HydrophobicContact CB-CG2 4.46Å; N194-T367 WeakPolarHBondContact CB-OG1 3.49Å; N194-T367 PolarHBondContact OD1-OG1 3.49Å; T367-E511 WeakPolarHBondContact CB-OE2 3.32Å; T367-E511 PolarHBondContact N-OE2 2.93Å; T367-E511 PolarHBondContact OG1-OE2 2.94Å; T367-L542 HydrophobicContact CG2-CD2 4Å
368	A	78.9	Confident	76.1	Confident	17 Å²	17	39.1 Å²	39.1	14%	0.14	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-80.4	119.9	175.9	0	0	0	0	0	111.7	R457 K459 S543	A368-R457 HydrophobicContact CB-CB 4.14Å; A368-R457 WeakPolarHBondContact CB-O 3.33Å; A368-K459 HydrophobicContact CB-CG 4.15Å; A368-S543 WeakPolarHBondContact O-CB 3.37Å; A368-S543 PolarHBondContact O-N 3.02Å; A368-S543 PolarHBondContact O-OG 2.78Å
369	I	75.6	Confident	77.9	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.5	-172	-60.2	167.8	0	0	0	110.1	I455 R457 G458 L510 E511 L514 F537 P540 L542	I369-I455 WeakPolarHBondContact O-CG2 3.5Å; I369-R457 CarbonylContact O-C 3.38Å; I369-R457 WeakPolarHBondContact O-CA 3.29Å; I369-R457 PolarHBondContact O-N 3.38Å; I369-R457 VanDerWaalsContact O-N 3.1Å; I369-G458 PolarHBondContact N-O 3.08Å; I369-G458 PolarHBondContact O-N 3.44Å; I369-L510 HydrophobicContact CD1-CB 3.99Å; I369-E511 HydrophobicContact CD1-CB 3.75Å; I369-L514 HydrophobicContact CD1-CD1 4.14Å; I369-L514 HydrophobicContact CD1-CD2 3.95Å; I369-L514 HydrophobicContact CD1-CG 4.12Å; I369-L514 HydrophobicContact CG2-CD2 4.24Å; I369-F537 HydrophobicContact CB-CZ 4.5Å; I369-F537 HydrophobicContact CG2-CE1 3.97Å; I369-F537 HydrophobicContact CG2-CE2 4.31Å; I369-F537 HydrophobicContact CG2-CZ 3.59Å; I369-P540 HydrophobicContact CG2-CB 4.32Å; I369-L542 HydrophobicContact CD1-CD2 4.41Å; I369-L542 HydrophobicContact CG1-CD2 4.1Å
370	T	80.2	Confident	79.5	Confident	24 Å²	24	33.9 Å²	33.9	15%	0.147	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.3	175.6	-53.3	0	0	0	0	109.1	I455 R457 P540 L541	T370-I455 CarbonylContact C-O 3.51Å; T370-I455 WeakPolarHBondContact CA-O 3.48Å; T370-I455 WeakPolarHBondContact CG2-O 3.38Å; T370-R457 PolarHBondContact OG1-N 3.19Å; T370-P540 CarbonylContact O-C 3.5Å; T370-P540 WeakPolarHBondContact O-CA 3.25Å; T370-L541 PolarHBondContact N-O 3.11Å; T370-L541 PolarHBondContact O-N 2.81Å
371	G	82.7	Confident	80.7	Confident	17 Å²	17	36.8 Å²	36.8	18%	0.175	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.4	-167.4	178.7	0	0	0	0	0	112	I455 D539	G371-I455 PolarHBondContact N-O 3.21Å; G371-I455 PolarHBondContact O-N 2.8Å; G371-D539 WeakPolarHBondContact CA-O 3.41Å
372	S	84.9	Confident	81.9	Confident	26 Å²	26	35.1 Å²	35.1	18%	0.182	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.1	-176.3	-156.6	0	0	0	0	111.9	T452 F453 N454 S538	S372-T452 WeakPolarHBondContact OG-CG2 3.43Å; S372-F453 WeakPolarHBondContact CA-O 3.38Å; S372-N454 PolarHBondContact OG-OD1 3.39Å; S372-S538 PolarHBondContact N-O 3.12Å; S372-S538 PolarHBondContact O-N 2.59Å
373	L	89.2	Confident	82.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	110.9	177.6	176.3	61.7	0	0	0	110.4	V375 T452 F453 I455 L461 L510 L513 F537	L373-V375 HydrophobicContact CD1-CG2 4.27Å; L373-V375 HydrophobicContact CD2-CG2 4.01Å; L373-V375 HydrophobicContact CG-CG2 3.79Å; L373-T452 CarbonylContact O-C 3.3Å; L373-T452 WeakPolarHBondContact O-CA 3.34Å; L373-F453 PolarHBondContact N-O 2.73Å; L373-F453 PolarHBondContact O-N 3.21Å; L373-I455 HydrophobicContact CB-CD1 3.55Å; L373-I455 HydrophobicContact CB-CG1 4.16Å; L373-I455 HydrophobicContact CD2-CD1 3.8Å; L373-I455 HydrophobicContact CG-CD1 4.33Å; L373-L461 HydrophobicContact CD2-CD1 4.4Å; L373-L461 HydrophobicContact CD2-CD2 4.32Å; L373-L510 HydrophobicContact CD2-CD2 3.89Å; L373-L513 HydrophobicContact CD1-CD1 3.99Å; L373-F537 HydrophobicContact CB-CD2 4.22Å; L373-F537 HydrophobicContact CB-CE2 4.28Å; L373-F537 HydrophobicContact CD1-CB 4.44Å; L373-F537 HydrophobicContact CD1-CD2 3.97Å
374	E	89.9	Confident	83.9	Confident	47 Å²	47	28.5 Å²	28.5	22%	0.22	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.6	166.4	178.5	-175.3	146.2	0	0	110.2	K450 T452 L535 K536	E374-K450 HydrophobicContact CG-CD 4.3Å; E374-K450 HydrophobicContact CG-CG 4.32Å; E374-K450 WeakPolarHBondContact OE1-CD 3.44Å; E374-K450 WeakPolarHBondContact OE1-CE 3.32Å; E374-K450 IonicContact OE1-NZ 2.81Å; E374-K450 PolarHBondContact OE1-NZ 2.89Å; E374-K450 WeakPolarHBondContact OE2-CE 3.16Å; E374-K450 IonicContact OE2-NZ 3.6Å; E374-K450 PolarHBondContact OE2-NZ 3.44Å; E374-T452 HydrophobicContact CB-CG2 4.43Å; E374-L535 WeakPolarHBondContact O-CA 3.49Å; E374-K536 HydrophobicContact CB-CB 4.22Å; E374-K536 PolarHBondContact N-O 2.99Å; E374-K536 PolarHBondContact O-N 2.84Å
375	V	92.1	Very high	84.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.3	176.5	-175.6	0	0	0	0	109.4	L373 L427 K450 T451 F453 L533 V534 L535	L373-V375 HydrophobicContact CD1-CG2 4.27Å; L373-V375 HydrophobicContact CD2-CG2 4.01Å; L373-V375 HydrophobicContact CG-CG2 3.79Å; V375-L427 HydrophobicContact CB-CD1 4.13Å; V375-L427 HydrophobicContact CG1-CD1 3.72Å; V375-L427 HydrophobicContact CG2-CD1 4.45Å; V375-K450 WeakPolarHBondContact O-CA 3.36Å; V375-T451 HydrophobicContact CB-CG2 4.15Å; V375-T451 PolarHBondContact N-O 2.86Å; V375-T451 WeakPolarHBondContact O-CG2 3.3Å; V375-T451 PolarHBondContact O-N 2.92Å; V375-T451 VanDerWaalsContact O-O 3.13Å; V375-F453 HydrophobicContact CB-CE2 4.31Å; V375-F453 HydrophobicContact CG2-CD2 4.2Å; V375-F453 HydrophobicContact CG2-CE2 3.88Å; V375-L533 HydrophobicContact CG1-CD2 4.38Å; V375-V534 WeakPolarHBondContact CA-O 3.18Å; V375-L535 HydrophobicContact CB-CD2 4.13Å; V375-L535 HydrophobicContact CG1-CD2 3.76Å; V375-L535 HydrophobicContact CG2-CD2 3.73Å
376	R	92.9	Very high	85.7	Confident	104 Å²	104	28.8 Å²	28.8	39%	0.392	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	111.3	164.9	-172.6	-179.1	178.4	180	-0.6	108.8	L378 D448 S449 K450 L533 V534	R376-L378 HydrophobicContact CG-CD2 3.95Å; R376-D448 IonicContact CZ-OD1 3.84Å; R376-D448 IonicContact CZ-OD2 2.8Å; R376-D448 IonicContact NE-OD1 3.02Å; R376-D448 PolarHBondContact NE-OD1 2.95Å; R376-D448 IonicContact NH2-OD1 2.99Å; R376-D448 PolarHBondContact NH2-OD1 3.34Å; R376-D448 IonicContact NH2-OD2 3.66Å; R376-D448 PolarHBondContact NH2-OD2 3.19Å; R376-S449 CarbonylContact C-O 3.52Å; R376-S449 WeakPolarHBondContact CA-O 3.43Å; R376-K450 HydrophobicContact CB-CB 4.39Å; R376-K450 HydrophobicContact CG-CB 4.33Å; R376-L533 CarbonylContact O-C 3.53Å; R376-L533 WeakPolarHBondContact O-CA 3.42Å; R376-V534 HydrophobicContact CB-CB 4.12Å; R376-V534 PolarHBondContact N-O 3.15Å; R376-V534 PolarHBondContact O-N 2.85Å
377	C	91.8	Very high	86.3	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	111.6	176.9	-169.7	0	0	0	0	109.1	W435 D448 S449 L533	C377-W435 HydrophobicContact CB-CH2 4.07Å; C377-W435 HydrophobicContact CB-CZ3 4.16Å; C377-D448 CarbonylContact O-C 3.55Å; C377-D448 WeakPolarHBondContact O-CA 3.47Å; C377-D448 PolarHBondContact O-N 3.14Å; C377-S449 PolarHBondContact N-O 3.03Å; C377-S449 PolarHBondContact O-N 2.91Å; C377-L533 HydrophobicContact CB-CD2 3.95Å
378	L	92.5	Very high	86.7	Confident	34 Å²	34	29 Å²	29	18%	0.178	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-61.5	-175.5	-57.3	174.8	0	0	0	110.4	R376 Q445 C446 W447 D448 F532 V534	R376-L378 HydrophobicContact CG-CD2 3.95Å; L378-Q445 CarbonylContact O-C 3.53Å; L378-Q445 WeakPolarHBondContact O-CA 3.38Å; L378-C446 PolarHBondContact O-N 2.93Å; L378-C446 VanDerWaalsContact O-N 3.11Å; L378-W447 PolarHBondContact O-N 2.9Å; L378-D448 VanDerWaalsContact CD2-OD1 3.29Å; L378-D448 WeakPolarHBondContact CD2-OD1 3.34Å; L378-D448 PolarHBondContact O-N 3.4Å; L378-F532 HydrophobicContact CB-CB 3.97Å; L378-F532 WeakPolarHBondContact CB-O 3.44Å; L378-F532 HydrophobicContact CD1-CB 4.2Å; L378-F532 PolarHBondContact N-O 3.31Å; L378-V534 HydrophobicContact CD1-CG2 4.28Å
379	G	92	Very high	86.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	-166.8	-175.3	0	0	0	0	0	113.4	N443 Q444 F532	G379-N443 WeakPolarHBondContact CA-O 3.37Å; G379-Q444 WeakPolarHBondContact CA-O 3.33Å; G379-Q444 PolarHBondContact N-O 2.88Å; G379-F532 PolarHBondContact O-N 3.41Å
380	C	92.2	Very high	86.5	Confident	1 Å²	1	35 Å²	35	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	159.9	-178.7	67.4	0	0	0	0	113.2	I383 N443 W447 K530 V531	C380-I383 HydrophobicContact CB-CD1 4.26Å; C380-I383 HydrophobicContact CB-CG1 4.07Å; C380-N443 PolarHBondContact N-O 3.06Å; C380-N443 CarbonylContact O-C 3.52Å; C380-N443 VanDerWaalsContact O-C 3.3Å; C380-W447 HydrophobicContact CB-CH2 3.83Å; C380-W447 HydrophobicContact CB-CZ3 3.96Å; C380-K530 CarbonylContact C-O 3.44Å; C380-K530 VanDerWaalsContact CA-O 3.24Å; C380-K530 WeakPolarHBondContact CA-O 3.46Å; C380-V531 HydrophobicContact CB-CG2 4.06Å
381	Q	90.5	Very high	86.5	Confident	67 Å²	67	34.4 Å²	34.4	31%	0.313	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152.9	177.6	-158.6	-170.7	-49.2	0	0	111.2	I383 G529 K530 F532	Q381-I383 PolarHBondContact O-N 2.94Å; Q381-I383 VanDerWaalsContact O-N 3.11Å; Q381-G529 CarbonylContact O-C 3.03Å; Q381-G529 VanDerWaalsContact O-CA 3.23Å; Q381-G529 WeakPolarHBondContact O-CA 3.38Å; Q381-K530 PolarHBondContact N-O 2.89Å; Q381-K530 PolarHBondContact O-N 2.97Å; Q381-F532 HydrophobicContact CB-CE2 4.05Å
382	D	87.8	Confident	86.1	Confident	98 Å²	98	33.6 Å²	33.6	52%	0.524	17%	0.166	S	C	.	.	S	Bend	trans	54.4	30.8	170.6	-48.5	-38.1	0	0	0	115.1	G529	D382-G529 VanDerWaalsContact C-CA 3.43Å; D382-G529 WeakPolarHBondContact O-CA 3.36Å; D382-G529 PolarHBondContact O-N 3.3Å
383	I	88.3	Confident	85.3	Confident	9 Å²	9	34.2 Å²	34.2	5%	0.046	17%	0.167	C	C	.	.			trans	-67.3	155.5	176.7	-59.1	-63.4	0	0	0	110.3	C380 Q381 D385 W420 V465 A503 A504 M525	C380-I383 HydrophobicContact CB-CD1 4.26Å; C380-I383 HydrophobicContact CB-CG1 4.07Å; Q381-I383 PolarHBondContact O-N 2.94Å; Q381-I383 VanDerWaalsContact O-N 3.11Å; I383-D385 PolarHBondContact O-N 2.73Å; I383-W420 HydrophobicContact CB-CH2 4.2Å; I383-W420 WeakPolarHBondContact O-CH2 3.47Å; I383-V465 HydrophobicContact CG2-CG1 4.47Å; I383-A503 HydrophobicContact CG2-CB 3.55Å; I383-A504 HydrophobicContact CD1-CB 3.94Å; I383-A504 HydrophobicContact CG2-CB 4.13Å; I383-M525 HydrophobicContact CD1-CB 4.43Å; I383-M525 HydrophobicContact CD1-CG 4.11Å
384	V	85.8	Confident	84.1	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.03	18%	0.179	C	C	.	.			trans	-59.8	125.6	174.3	179.1	0	0	0	0	110.9	H386 F387 A503 P527 M528	V384-H386 WeakPolarHBondContact CG1-O 3.26Å; V384-F387 HydrophobicContact CB-CE2 4.31Å; V384-F387 HydrophobicContact CG1-CD2 4.09Å; V384-F387 HydrophobicContact CG1-CE2 3.78Å; V384-A503 HydrophobicContact CB-CB 4.5Å; V384-A503 WeakPolarHBondContact O-CB 3.17Å; V384-P527 HydrophobicContact CG2-CG 3.54Å; V384-M528 HydrophobicContact CG2-CE 4.33Å; V384-M528 HydrophobicContact CG2-CG 3.6Å; V384-M528 HydrophobicContact CG2-SD 4.19Å
385	D	84.2	Confident	82.7	Confident	30 Å²	30	39.8 Å²	39.8	16%	0.16	20%	0.195	C	C	.	.			trans	-106.4	4.6	-179.2	64.1	5.1	0	0	0	114.4	I383 T412 S413 R414 W420	I383-D385 PolarHBondContact O-N 2.73Å; D385-T412 CarbonylContact O-C 3.6Å; D385-T412 WeakPolarHBondContact O-CA 3.32Å; D385-T412 WeakPolarHBondContact O-CB 3.45Å; D385-T412 PolarHBondContact O-OG1 2.9Å; D385-S413 VanDerWaalsContact CA-OG 3.22Å; D385-S413 WeakPolarHBondContact CA-OG 3.49Å; D385-S413 WeakPolarHBondContact CB-OG 3.43Å; D385-S413 PolarHBondContact O-N 3.2Å; D385-R414 HydrophobicContact CB-CG 4.45Å; D385-R414 IonicContact OD2-CZ 3.96Å; D385-R414 IonicContact OD2-NE 3.08Å; D385-R414 PolarHBondContact OD2-NE 3.47Å; D385-R414 IonicContact OD2-NH2 3.58Å; D385-R414 PolarHBondContact OD2-NH2 3.17Å; D385-W420 HydrophobicContact CB-CH2 3.65Å; D385-W420 HydrophobicContact CB-CZ2 3.87Å; D385-W420 HydrophobicContact CB-CZ3 4.28Å
386	H	84.7	Confident	81.4	Confident	90 Å²	90	41.1 Å²	41.1	42%	0.417	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	137.7	-176.7	63.5	58.5	0	0	0	113.5	V384 V410 M411	V384-H386 WeakPolarHBondContact CG1-O 3.26Å; H386-V410 HydrophobicContact CB-CG1 3.79Å; H386-M411 CarbonylContact C-O 3.54Å; H386-M411 WeakPolarHBondContact CA-O 3.37Å
387	F	83.2	Confident	79.5	Confident	1 Å²	1	38 Å²	38	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.1	177.6	-91.6	-111.8	0	0	0	111.5	Y309 L310 V384 A389 I391 V392 V410 M411 W467 V501 L502 A503	Y309-F387 AromaticContact CD1-CD1 3.85Å; Y309-F387 HydrophobicContact CD1-CD1 3.85Å; Y309-F387 AromaticContact CD1-CE1 3.53Å; Y309-F387 HydrophobicContact CD1-CE1 3.53Å; Y309-F387 HydrophobicContact CD1-CZ 4.18Å; Y309-F387 AromaticContact CE1-CD1 3.92Å; Y309-F387 HydrophobicContact CE1-CD1 3.92Å; Y309-F387 AromaticContact CE1-CE1 3.91Å; Y309-F387 HydrophobicContact CE1-CE1 3.91Å; Y309-F387 HydrophobicContact CE1-CG 4.41Å; Y309-F387 HydrophobicContact CE1-CZ 4.36Å; L310-F387 HydrophobicContact CD2-CZ 3.85Å; L310-F387 HydrophobicContact CG-CZ 4.39Å; V384-F387 HydrophobicContact CB-CE2 4.31Å; V384-F387 HydrophobicContact CG1-CD2 4.09Å; V384-F387 HydrophobicContact CG1-CE2 3.78Å; F387-A389 PolarHBondContact O-N 2.86Å; F387-I391 HydrophobicContact CD1-CG2 4.27Å; F387-V392 HydrophobicContact CB-CG2 3.49Å; F387-V392 VanDerWaalsContact CB-CG2 3.49Å; F387-V392 HydrophobicContact CD1-CG2 4.3Å; F387-V392 HydrophobicContact CG-CG2 4.2Å; F387-V410 CarbonylContact O-C 3.29Å; F387-V410 WeakPolarHBondContact O-CA 3.12Å; F387-M411 PolarHBondContact N-O 2.92Å; F387-M411 PolarHBondContact O-N 2.94Å; F387-W467 HydrophobicContact CB-CZ2 4.43Å; F387-W467 HydrophobicContact CD2-CZ2 4.02Å; F387-W467 HydrophobicContact CG-CZ2 4.49Å; F387-V501 HydrophobicContact CD1-CG1 3.96Å; F387-V501 HydrophobicContact CD2-CG1 4.08Å; F387-V501 HydrophobicContact CE1-CG1 4.05Å; F387-V501 HydrophobicContact CE2-CG1 4.21Å; F387-V501 HydrophobicContact CG-CG1 3.98Å; F387-V501 HydrophobicContact CZ-CG1 4.19Å; F387-L502 WeakPolarHBondContact CZ-O 3.41Å; F387-A503 HydrophobicContact CE2-CB 4.22Å
388	P	81.6	Confident	77.5	Confident	38 Å²	38	41.3 Å²	41.3	25%	0.247	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	132.4	169.7	-23.6	34	0	0	0	111.4	Y309 E390 I391 V392	Y309-P388 HydrophobicContact CE2-CG 4.06Å; Y309-P388 WeakPolarHBondContact OH-CD 3.47Å; P388-E390 PolarHBondContact O-N 2.96Å; P388-I391 HydrophobicContact CB-CD1 4.1Å; P388-I391 HydrophobicContact CB-CG1 4.24Å; P388-I391 HydrophobicContact CG-CD1 3.94Å; P388-I391 WeakPolarHBondContact O-CB 3.42Å; P388-I391 PolarHBondContact O-N 3.13Å; P388-V392 PolarHBondContact O-N 3.05Å
389	A	74.9	Confident	75	Confident	10 Å²	10	43.7 Å²	43.7	8%	0.083	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-29	-175.7	0	0	0	0	0	113.3	F387 I391 V392 N393 V407 P408 S409	F387-A389 PolarHBondContact O-N 2.86Å; A389-I391 PolarHBondContact O-N 3.2Å; A389-V392 PolarHBondContact O-N 3.39Å; A389-N393 VanDerWaalsContact O-CB 3.28Å; A389-N393 WeakPolarHBondContact O-CB 3.38Å; A389-N393 PolarHBondContact O-N 3.28Å; A389-N393 PolarHBondContact O-ND2 3.32Å; A389-N393 VanDerWaalsContact O-ND2 3.16Å; A389-V407 HydrophobicContact CB-CG1 4.19Å; A389-P408 WeakPolarHBondContact CB-O 3.33Å; A389-S409 WeakPolarHBondContact CB-O 3.48Å; A389-S409 PolarHBondContact N-O 3.49Å
390	E	75.2	Confident	72.2	Confident	135 Å²	135	48.8 Å²	48.8	63%	0.631	28%	0.282	S	S	*	.	H	α-helix	trans	-59.6	-29.4	173	-60.8	177.2	172.4	0	0	113	W348 P388 N394	W348-E390 HydrophobicContact CH2-CB 3.67Å; W348-E390 VanDerWaalsContact CH2-OE2 3.29Å; W348-E390 WeakPolarHBondContact CH2-OE2 3.42Å; W348-E390 HydrophobicContact CZ2-CB 4.07Å; W348-E390 WeakPolarHBondContact CZ3-OE2 3.46Å; P388-E390 PolarHBondContact O-N 2.96Å; E390-N394 WeakPolarHBondContact O-CB 3.48Å
391	I	79.4	Confident	69.3	Low	11 Å²	11	55.2 Å²	55.2	6%	0.056	32%	0.321	C	S	.	.	H	α-helix	trans	-84.9	-40.2	179.9	-64.3	178.4	0	0	0	110	L305 Y309 W348 F387 P388 A389	L305-I391 HydrophobicContact CG-CG2 4.36Å; Y309-I391 HydrophobicContact CD1-CD1 4.15Å; Y309-I391 HydrophobicContact CD2-CD1 3.27Å; Y309-I391 HydrophobicContact CE2-CD1 3.74Å; Y309-I391 HydrophobicContact CG-CD1 3.51Å; W348-I391 HydrophobicContact CH2-CG1 4.44Å; W348-I391 HydrophobicContact CZ2-CG1 4.46Å; F387-I391 HydrophobicContact CD1-CG2 4.27Å; P388-I391 HydrophobicContact CB-CD1 4.1Å; P388-I391 HydrophobicContact CB-CG1 4.24Å; P388-I391 HydrophobicContact CG-CD1 3.94Å; P388-I391 WeakPolarHBondContact O-CB 3.42Å; P388-I391 PolarHBondContact O-N 3.13Å; A389-I391 PolarHBondContact O-N 3.2Å
392	V	74.9	Confident	66.6	Low	0 Å²	0	58.3 Å²	58.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-76	-39.7	-176.8	174.8	0	0	0	0	112.9	R302 F387 P388 A389 M411 V501	R302-V392 PolarHBondContact NE-O 3.46Å; R302-V392 PolarHBondContact NH2-O 3.09Å; F387-V392 HydrophobicContact CB-CG2 3.49Å; F387-V392 VanDerWaalsContact CB-CG2 3.49Å; F387-V392 HydrophobicContact CD1-CG2 4.3Å; F387-V392 HydrophobicContact CG-CG2 4.2Å; P388-V392 PolarHBondContact O-N 3.05Å; A389-V392 PolarHBondContact O-N 3.39Å; V392-M411 HydrophobicContact CB-CB 4.43Å; V392-M411 HydrophobicContact CG1-CB 4.4Å; V392-M411 HydrophobicContact CG1-CG 4.08Å; V392-M411 HydrophobicContact CG1-SD 4.07Å; V392-M411 HydrophobicContact CG2-CB 4.09Å; V392-V501 HydrophobicContact CB-CG2 4.44Å; V392-V501 HydrophobicContact CG1-CG2 3.68Å; V392-V501 HydrophobicContact CG2-CG1 4.26Å; V392-V501 HydrophobicContact CG2-CG2 4Å
393	N	68.1	Low	64.1	Low	38 Å²	38	63.8 Å²	63.8	20%	0.203	36%	0.358	C	S	.	.	S	Bend	trans	-103.5	11.5	-171.2	-59.5	-55.9	0	0	0	113.6	A389 E395 R469	A389-N393 VanDerWaalsContact O-CB 3.28Å; A389-N393 WeakPolarHBondContact O-CB 3.38Å; A389-N393 PolarHBondContact O-N 3.28Å; A389-N393 PolarHBondContact O-ND2 3.32Å; A389-N393 VanDerWaalsContact O-ND2 3.16Å; N393-E395 PolarHBondContact O-N 3.11Å; N393-R469 PolarHBondContact OD1-NH1 3.16Å; N393-R469 PolarHBondContact OD1-NH2 3.41Å
394	N	65.2	Low	61.7	Low	46 Å²	46	69.8 Å²	69.8	25%	0.246	39%	0.389	C	S	.	.			trans	-58.6	111.8	-174.9	-168.5	-1.4	0	0	0	112.1	L305 W348 E390 L396	L305-N394 HydrophobicContact CD2-CB 4.15Å; L305-N394 WeakPolarHBondContact CD2-ND2 3.35Å; W348-N394 PolarHBondContact NE1-ND2 3.45Å; E390-N394 WeakPolarHBondContact O-CB 3.48Å; N394-L396 PolarHBondContact O-N 2.79Å
395	E	59.9	Low	59.5	Low	119 Å²	119	78.6 Å²	78.6	56%	0.556	42%	0.423	S	S	*	.			trans	-73.1	80.6	168.1	-76.3	-162.4	-171.8	0	0	110.3	N393 S397 G398 T399	N393-E395 PolarHBondContact O-N 3.11Å; E395-S397 PolarHBondContact O-N 2.83Å; E395-G398 PolarHBondContact O-N 2.98Å; E395-T399 PolarHBondContact OE2-OG1 3.25Å
396	L	65.4	Low	57.7	Low	27 Å²	27	82.9 Å²	82.9	14%	0.141	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-5.3	171.4	-68.3	164.9	0	0	0	113.4	F272 V279 L298 A301 R302 N394 G398	F272-L396 HydrophobicContact CE2-CD2 4.3Å; V279-L396 WeakPolarHBondContact CG1-O 3.22Å; L298-L396 HydrophobicContact CD2-CB 3.83Å; A301-L396 HydrophobicContact CB-CD1 3.87Å; R302-L396 HydrophobicContact CB-CD1 4.22Å; N394-L396 PolarHBondContact O-N 2.79Å; L396-G398 VanDerWaalsContact C-N 3.28Å; L396-G398 PolarHBondContact O-N 2.67Å
397	S	52.8	Low	56.2	Low	39 Å²	39	82.5 Å²	82.5	27%	0.273	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-6.2	178	41	0	0	0	0	115.6	E395 T399	E395-S397 PolarHBondContact O-N 2.83Å; S397-T399 PolarHBondContact O-N 3.02Å; S397-T399 PolarHBondContact OG-OG1 3.33Å
398	G	48.9	Very low	55.1	Low	69 Å²	69	86.6 Å²	86.6	71%	0.711	49%	0.486	S	S	*	.			trans	70.2	11.2	178.2	0	0	0	0	0	114.6	E395 L396 S400	E395-G398 PolarHBondContact O-N 2.98Å; L396-G398 VanDerWaalsContact C-N 3.28Å; L396-G398 PolarHBondContact O-N 2.67Å; G398-S400 PolarHBondContact O-N 3.04Å
399	T	39.2	Very low	54.3	Low	85 Å²	85	89.9 Å²	89.9	52%	0.521	51%	0.51	S	S	.	.			trans	-77.7	101	175.9	29.9	0	0	0	0	110.4	E395 S397 T401	E395-T399 PolarHBondContact OE2-OG1 3.25Å; S397-T399 PolarHBondContact O-N 3.02Å; S397-T399 PolarHBondContact OG-OG1 3.33Å; T399-T401 PolarHBondContact O-N 3.25Å
400	S	34	Very low	54.1	Low	106 Å²	106	93.1 Å²	93.1	74%	0.741	53%	0.528	S	S	*	.			trans	-58.9	108.6	177.7	-65.7	0	0	0	0	112.6	G398 T402	G398-S400 PolarHBondContact O-N 3.04Å; S400-T402 PolarHBondContact O-N 3.07Å
401	T	31.5	Very low	54.2	Low	136 Å²	136	88.3 Å²	88.3	83%	0.834	51%	0.506	S	S	*	.			trans	41.5	70.9	142	-34.6	0	0	0	0	116.5	T399	T399-T401 PolarHBondContact O-N 3.25Å
402	T	34.5	Very low	54.1	Low	133 Å²	133	91 Å²	91	82%	0.816	52%	0.523	S	S	*	.			trans	-94.1	128.2	156.9	-37.2	0	0	0	0	108.7	S400 I404	S400-T402 PolarHBondContact O-N 3.07Å; T402-I404 PolarHBondContact O-N 3.35Å; T402-I404 VanDerWaalsContact O-N 3.1Å
403	R	34.3	Very low	54.2	Low	212 Å²	212	91 Å²	91	80%	0.8	52%	0.523	S	S	*	.			trans	-61.4	109.4	-167.6	-61	170.3	-176.5	166.6	-0.4	112.1
404	I	38.5	Very low	54.7	Low	136 Å²	136	93.6 Å²	93.6	70%	0.697	53%	0.53	S	S	*	.			trans	-101.1	125.2	162.8	-60.5	179.3	0	0	0	108.1	T402	T402-I404 PolarHBondContact O-N 3.35Å; T402-I404 VanDerWaalsContact O-N 3.1Å
405	Y	39.4	Very low	54.8	Low	190 Å²	190	93.2 Å²	93.2	75%	0.745	53%	0.529	S	S	*	.			trans	-74.8	143.8	-173.8	-72.6	-102.9	0	0	0	111.8	V407	Y405-V407 PolarHBondContact O-N 3.19Å
406	S	46.5	Very low	55.2	Low	120 Å²	120	93.3 Å²	93.3	84%	0.839	54%	0.544	S	S	*	.			trans	44.6	62	169.9	66.7	0	0	0	0	117.1
407	V	53.3	Low	55.4	Low	82 Å²	82	98.8 Å²	98.8	50%	0.497	57%	0.568	S	S	.	*			trans	-79.3	128.8	159.3	-173.2	0	0	0	0	108.4	A389 Y405	A389-V407 HydrophobicContact CB-CG1 4.19Å; Y405-V407 PolarHBondContact O-N 3.19Å
408	P	59.7	Low	56.2	Low	87 Å²	87	101.9 Å²	101.9	57%	0.565	58%	0.582	S	S	*	*			trans	-56.8	142.4	174.3	-25.6	35	0	0	0	111.5	A389 V410	A389-P408 WeakPolarHBondContact CB-O 3.33Å; P408-V410 WeakPolarHBondContact CB-O 3.47Å; P408-V410 PolarHBondContact O-N 2.85Å
409	S	65.4	Low	57.4	Low	107 Å²	107	104 Å²	104	75%	0.748	57%	0.573	S	S	*	*	S	Bend	trans	-60.8	-30.2	176.8	179.9	0	0	0	0	112.7	A389	A389-S409 WeakPolarHBondContact CB-O 3.48Å; A389-S409 PolarHBondContact N-O 3.49Å
410	V	71.1	Confident	59.2	Low	77 Å²	77	102.6 Å²	102.6	47%	0.467	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.7	129.2	179.5	-179	0	0	0	0	109.2	H386 F387 P408	H386-V410 HydrophobicContact CB-CG1 3.79Å; F387-V410 CarbonylContact O-C 3.29Å; F387-V410 WeakPolarHBondContact O-CA 3.12Å; P408-V410 WeakPolarHBondContact CB-O 3.47Å; P408-V410 PolarHBondContact O-N 2.85Å
411	M	76	Confident	61.5	Low	35 Å²	35	98.2 Å²	98.2	17%	0.172	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	134.1	168.4	-162.1	97.9	-153.8	0	0	108.5	H386 F387 V392 W467 R469	H386-M411 CarbonylContact C-O 3.54Å; H386-M411 WeakPolarHBondContact CA-O 3.37Å; F387-M411 PolarHBondContact N-O 2.92Å; F387-M411 PolarHBondContact O-N 2.94Å; V392-M411 HydrophobicContact CB-CB 4.43Å; V392-M411 HydrophobicContact CG1-CB 4.4Å; V392-M411 HydrophobicContact CG1-CG 4.08Å; V392-M411 HydrophobicContact CG1-SD 4.07Å; V392-M411 HydrophobicContact CG2-CB 4.09Å; M411-W467 HydrophobicContact CB-CH2 4.2Å; M411-W467 HydrophobicContact CG-CH2 3.75Å; M411-W467 HydrophobicContact CG-CZ3 4.26Å; M411-R469 HydrophobicContact CE-CG 3.98Å
412	T	78.5	Confident	64.3	Low	68 Å²	68	94.2 Å²	94.2	42%	0.417	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.7	177	-178.6	0	0	0	0	112.9	D385 R414 W467	D385-T412 CarbonylContact O-C 3.6Å; D385-T412 WeakPolarHBondContact O-CA 3.32Å; D385-T412 WeakPolarHBondContact O-CB 3.45Å; D385-T412 PolarHBondContact O-OG1 2.9Å; T412-R414 PolarHBondContact O-N 3.08Å; T412-R414 PolarHBondContact OG1-N 3.22Å; T412-W467 WeakPolarHBondContact O-CZ3 3.46Å
413	S	75.7	Confident	67	Low	0 Å²	0	88 Å²	88	0%	0	46%	0.462	C	S	.	.	S	Bend	trans	-80.1	4.5	174.2	71.7	0	0	0	0	113.5	D385 W420 V421 W467	D385-S413 VanDerWaalsContact CA-OG 3.22Å; D385-S413 WeakPolarHBondContact CA-OG 3.49Å; D385-S413 WeakPolarHBondContact CB-OG 3.43Å; D385-S413 PolarHBondContact O-N 3.2Å; S413-W420 WeakPolarHBondContact OG-CZ3 3.35Å; S413-V421 WeakPolarHBondContact O-CG2 3.37Å; S413-V421 PolarHBondContact O-N 3.16Å; S413-W467 VanDerWaalsContact CB-CD2 3.47Å; S413-W467 VanDerWaalsContact N-CZ3 3.3Å
414	R	78.2	Confident	69.8	Low	92 Å²	92	80.9 Å²	80.9	35%	0.347	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-101.6	142.1	176	-52.9	-165	-169.4	-159.7	1.2	111.3	D385 T412 N418 H419	D385-R414 HydrophobicContact CB-CG 4.45Å; D385-R414 IonicContact OD2-CZ 3.96Å; D385-R414 IonicContact OD2-NE 3.08Å; D385-R414 PolarHBondContact OD2-NE 3.47Å; D385-R414 IonicContact OD2-NH2 3.58Å; D385-R414 PolarHBondContact OD2-NH2 3.17Å; T412-R414 PolarHBondContact O-N 3.08Å; T412-R414 PolarHBondContact OG1-N 3.22Å; R414-N418 WeakPolarHBondContact CD-OD1 3.43Å; R414-N418 PolarHBondContact NH1-OD1 2.82Å; R414-H419 CarbonylContact C-O 3.54Å; R414-H419 VanDerWaalsContact CA-O 3.24Å; R414-H419 WeakPolarHBondContact CA-O 3.49Å
415	T	69.1	Low	72.5	Confident	37 Å²	37	74.4 Å²	74.4	23%	0.227	40%	0.402	C	S	.	.			trans	-71.4	172.6	171.5	69.7	0	0	0	0	110.7	E417 N418 H419 V421 M470	T415-E417 PolarHBondContact O-N 3.1Å; T415-E417 VanDerWaalsContact O-N 3.11Å; T415-E417 PolarHBondContact OG1-N 3.47Å; T415-N418 PolarHBondContact O-N 3.31Å; T415-H419 HydrophobicContact CG2-CB 4.46Å; T415-H419 PolarHBondContact N-O 2.95Å; T415-H419 PolarHBondContact OG1-N 3.48Å; T415-V421 HydrophobicContact CG2-CG2 4.16Å; T415-M470 HydrophobicContact CG2-CE 3.68Å
416	S	67.4	Low	75.1	Confident	122 Å²	122	65.4 Å²	65.4	85%	0.853	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.9	169.7	47.3	0	0	0	0	113.8	N418	S416-N418 VanDerWaalsContact C-N 3.33Å
417	E	69	Low	77.4	Confident	141 Å²	141	59.7 Å²	59.7	66%	0.659	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	8.1	175.9	-59.3	175.2	170.8	0	0	112.7	T415 H419	T415-E417 PolarHBondContact O-N 3.1Å; T415-E417 VanDerWaalsContact O-N 3.11Å; T415-E417 PolarHBondContact OG1-N 3.47Å; E417-H419 WeakPolarHBondContact CB-ND1 3.33Å; E417-H419 PolarHBondContact O-N 2.87Å; E417-H419 IonicContact OE2-CE1 2.77Å; E417-H419 IonicContact OE2-ND1 2.71Å; E417-H419 PolarHBondContact OE2-ND1 3Å
418	N	70.8	Confident	79.4	Confident	104 Å²	104	56 Å²	56	56%	0.556	30%	0.304	S	S	*	.	S	Bend	trans	66	8.8	-177.7	-148.1	7.7	0	0	0	114.5	R414 T415 S416	R414-N418 WeakPolarHBondContact CD-OD1 3.43Å; R414-N418 PolarHBondContact NH1-OD1 2.82Å; T415-N418 PolarHBondContact O-N 3.31Å; S416-N418 VanDerWaalsContact C-N 3.33Å
419	H	74.3	Confident	80.9	Confident	113 Å²	113	52.9 Å²	52.9	52%	0.523	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-73.1	145.2	171.5	-65.8	120.4	0	0	0	111	R414 T415 E417	R414-H419 CarbonylContact C-O 3.54Å; R414-H419 VanDerWaalsContact CA-O 3.24Å; R414-H419 WeakPolarHBondContact CA-O 3.49Å; T415-H419 HydrophobicContact CG2-CB 4.46Å; T415-H419 PolarHBondContact N-O 2.95Å; T415-H419 PolarHBondContact OG1-N 3.48Å; E417-H419 WeakPolarHBondContact CB-ND1 3.33Å; E417-H419 PolarHBondContact O-N 2.87Å; E417-H419 IonicContact OE2-CE1 2.77Å; E417-H419 IonicContact OE2-ND1 2.71Å; E417-H419 PolarHBondContact OE2-ND1 3Å
420	W	77.1	Confident	81.9	Confident	57 Å²	57	51 Å²	51	22%	0.216	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-69.2	148.9	174.9	-85.8	83.9	0	0	0	111.9	I383 D385 S413 V423 Q441 P442	I383-W420 HydrophobicContact CB-CH2 4.2Å; I383-W420 WeakPolarHBondContact O-CH2 3.47Å; D385-W420 HydrophobicContact CB-CH2 3.65Å; D385-W420 HydrophobicContact CB-CZ2 3.87Å; D385-W420 HydrophobicContact CB-CZ3 4.28Å; S413-W420 WeakPolarHBondContact OG-CZ3 3.35Å; W420-V423 HydrophobicContact CE3-CG1 4.48Å; W420-Q441 PolarHBondContact O-NE2 3.11Å; W420-Q441 PolarHBondContact O-OE1 2.8Å; W420-P442 HydrophobicContact CB-CG 3.44Å; W420-P442 VanDerWaalsContact CB-CG 3.44Å; W420-P442 HydrophobicContact CD2-CG 3.57Å; W420-P442 HydrophobicContact CE3-CG 3.8Å; W420-P442 HydrophobicContact CG-CG 3.43Å; W420-P442 VanDerWaalsContact CG-CG 3.43Å
421	V	82.1	Confident	82.7	Confident	13 Å²	13	52.4 Å²	52.4	8%	0.079	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-86	149.8	164.1	-176	0	0	0	0	109.3	S413 T415 K468 M470	S413-V421 WeakPolarHBondContact O-CG2 3.37Å; S413-V421 PolarHBondContact O-N 3.16Å; T415-V421 HydrophobicContact CG2-CG2 4.16Å; V421-K468 HydrophobicContact CG1-CB 3.9Å; V421-K468 WeakPolarHBondContact CG1-O 3.27Å; V421-M470 HydrophobicContact CG1-CG 3.84Å; V421-M470 HydrophobicContact CG2-CE 4.47Å; V421-M470 HydrophobicContact CG2-CG 4.07Å
422	D	89.3	Confident	83.3	Confident	53 Å²	53	58.1 Å²	58.1	28%	0.283	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-51.7	139.9	-177.5	-69.5	-15.3	0	0	0	113.3	W439 R440 Q441 K468	D422-W439 HydrophobicContact CB-CB 4.03Å; D422-W439 HydrophobicContact CB-CE3 4.24Å; D422-W439 WeakPolarHBondContact O-CZ3 2.88Å; D422-R440 CarbonylContact C-O 3.3Å; D422-R440 WeakPolarHBondContact CA-O 3.4Å; D422-Q441 PolarHBondContact OD1-N 3.37Å; D422-Q441 PolarHBondContact OD1-NE2 3.09Å; D422-K468 PolarHBondContact O-N 3.48Å
423	V	91.9	Very high	83.8	Confident	1 Å²	1	59 Å²	59	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	155.1	177.5	-65.8	0	0	0	0	112.7	W420 W439 R440 P442 W447 V465 Y466 W467	W420-V423 HydrophobicContact CE3-CG1 4.48Å; V423-W439 WeakPolarHBondContact O-CA 3.24Å; V423-R440 WeakPolarHBondContact CG2-O 3.35Å; V423-R440 PolarHBondContact N-O 3.2Å; V423-R440 PolarHBondContact O-N 3.09Å; V423-P442 HydrophobicContact CG1-CB 4.26Å; V423-P442 HydrophobicContact CG1-CG 4.37Å; V423-P442 HydrophobicContact CG2-CB 3.73Å; V423-P442 HydrophobicContact CG2-CG 4.39Å; V423-W447 HydrophobicContact CB-CZ2 4.11Å; V423-W447 HydrophobicContact CG2-CH2 4.36Å; V423-W447 HydrophobicContact CG2-CZ2 3.62Å; V423-W447 PolarHBondContact O-NE1 3.42Å; V423-V465 HydrophobicContact CB-CG1 4.33Å; V423-Y466 CarbonylContact C-O 3.56Å; V423-Y466 WeakPolarHBondContact CA-O 3.29Å; V423-Y466 WeakPolarHBondContact CB-O 2.93Å; V423-W467 HydrophobicContact CG1-CB 4.33Å
424	R	92.9	Very high	84.6	Confident	64 Å²	64	61.7 Å²	61.7	24%	0.242	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	131.6	179.4	175.3	177.4	-162	-129.2	12.1	110.2	D436 S437 W439 V465 Y466	R424-D436 VanDerWaalsContact CZ-CB 3.41Å; R424-D436 IonicContact CZ-OD1 2.9Å; R424-D436 IonicContact CZ-OD2 3.86Å; R424-D436 IonicContact NH1-OD1 3.9Å; R424-D436 PolarHBondContact NH1-OD1 2.93Å; R424-D436 IonicContact NH1-OD2 2.86Å; R424-D436 PolarHBondContact NH1-OD2 3.14Å; R424-D436 IonicContact NH2-OD1 2.66Å; R424-D436 IonicContact NH2-OD2 3.22Å; R424-D436 PolarHBondContact NH2-OD2 2.81Å; R424-S437 WeakPolarHBondContact CA-OG 3.47Å; R424-S437 WeakPolarHBondContact CG-O 3.45Å; R424-S437 PolarHBondContact NE-O 3.08Å; R424-W439 HydrophobicContact CB-CD2 3.81Å; R424-W439 HydrophobicContact CB-CE3 3.52Å; R424-W439 HydrophobicContact CB-CH2 3.9Å; R424-W439 HydrophobicContact CB-CZ2 4.17Å; R424-W439 HydrophobicContact CB-CZ3 3.55Å; R424-V465 WeakPolarHBondContact O-CA 3.31Å; R424-Y466 PolarHBondContact N-O 3.2Å; R424-Y466 PolarHBondContact O-N 3.34Å
425	C	94.4	Very high	85.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	142.5	169	-170.7	0	0	0	0	110.1	W435 D436 S437 W447 Q464	C425-W435 HydrophobicContact CB-CZ3 4.38Å; C425-D436 CarbonylContact O-C 3.57Å; C425-D436 WeakPolarHBondContact O-CA 3.29Å; C425-S437 PolarHBondContact N-OG 2.66Å; C425-S437 PolarHBondContact O-N 3.21Å; C425-W447 HydrophobicContact CB-CD2 4.18Å; C425-W447 HydrophobicContact CB-CE3 3.9Å; C425-W447 HydrophobicContact CB-CH2 3.69Å; C425-W447 HydrophobicContact CB-CZ2 3.94Å; C425-W447 HydrophobicContact CB-CZ3 3.66Å; C425-Q464 CarbonylContact C-O 3.6Å; C425-Q464 VanDerWaalsContact CA-O 3.3Å; C425-Q464 WeakPolarHBondContact CA-O 3.26Å
426	S	93.9	Very high	86.5	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.2	173.3	-59.8	0	0	0	0	109.4	R433 W435 D436 Q464 Y466	S426-R433 VanDerWaalsContact CB-NH1 3.32Å; S426-R433 PolarHBondContact OG-NH1 3.46Å; S426-W435 WeakPolarHBondContact CA-O 3.12Å; S426-D436 WeakPolarHBondContact CB-OD1 3.16Å; S426-D436 PolarHBondContact OG-OD1 2.8Å; S426-Q464 PolarHBondContact N-O 3.44Å; S426-Q464 PolarHBondContact O-N 3.38Å; S426-Y466 WeakPolarHBondContact OG-CE2 3.42Å
427	L	95.1	Very high	87.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.7	177.4	-59.4	174.3	0	0	0	109	V375 V434 W435 T451 F453 L461 V463	V375-L427 HydrophobicContact CB-CD1 4.13Å; V375-L427 HydrophobicContact CG1-CD1 3.72Å; V375-L427 HydrophobicContact CG2-CD1 4.45Å; L427-V434 HydrophobicContact CB-CG2 4.29Å; L427-V434 VanDerWaalsContact O-CG2 3.24Å; L427-V434 WeakPolarHBondContact O-CG2 3.47Å; L427-V434 PolarHBondContact O-N 2.89Å; L427-W435 HydrophobicContact CB-CB 4.31Å; L427-W435 HydrophobicContact CB-CE3 4.44Å; L427-W435 HydrophobicContact CD1-CD2 4.28Å; L427-W435 HydrophobicContact CD1-CE3 3.68Å; L427-W435 HydrophobicContact CD1-CZ3 4.24Å; L427-W435 HydrophobicContact CG-CE3 3.79Å; L427-W435 HydrophobicContact CG-CZ3 4.37Å; L427-W435 PolarHBondContact N-O 2.58Å; L427-W435 PolarHBondContact O-N 2.78Å; L427-T451 HydrophobicContact CD1-CG2 4.09Å; L427-F453 HydrophobicContact CB-CZ 4.44Å; L427-F453 HydrophobicContact CD1-CE2 3.96Å; L427-F453 HydrophobicContact CD1-CZ 4.02Å; L427-L461 HydrophobicContact CB-CD1 4.34Å; L427-L461 HydrophobicContact CD2-CD1 4.4Å; L427-V463 HydrophobicContact CD2-CB 4.36Å; L427-V463 HydrophobicContact CD2-CG1 4.12Å; L427-V463 HydrophobicContact CD2-CG2 3.89Å
428	L	94.7	Very high	88.8	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.8	179.6	-71.8	68.8	0	0	0	108.4	K432 R433 E462 Q464	L428-K432 CarbonylContact C-O 3.57Å; L428-K432 WeakPolarHBondContact CA-O 2.98Å; L428-R433 HydrophobicContact CD1-CB 4.47Å; L428-R433 HydrophobicContact CD1-CG 4.42Å; L428-R433 HydrophobicContact CG-CB 4.17Å; L428-E462 HydrophobicContact CB-CB 3.95Å; L428-E462 HydrophobicContact CB-CG 4.27Å; L428-E462 HydrophobicContact CD2-CG 4.44Å; L428-E462 PolarHBondContact N-O 3.17Å; L428-E462 PolarHBondContact O-N 3.41Å; L428-Q464 HydrophobicContact CD1-CG 4.4Å; L428-Q464 VanDerWaalsContact CD1-OE1 3.28Å
429	I	91.4	Very high	89.7	Confident	22 Å²	22	48.7 Å²	48.7	11%	0.113	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.8	169.9	-61.8	174.8	0	0	0	106.8	H431 K432 V434 F453 I455 E460 L461	I429-H431 VanDerWaalsContact C-N 3.28Å; I429-H431 PolarHBondContact O-N 3.17Å; I429-K432 PolarHBondContact N-O 3.29Å; I429-K432 WeakPolarHBondContact O-CB 3.27Å; I429-K432 PolarHBondContact O-N 3.04Å; I429-V434 HydrophobicContact CB-CG1 4.35Å; I429-V434 HydrophobicContact CD1-CG1 4.22Å; I429-V434 HydrophobicContact CD1-CG2 4.06Å; I429-V434 HydrophobicContact CG1-CG1 4.28Å; I429-V434 HydrophobicContact CG1-CG2 3.94Å; I429-F453 HydrophobicContact CD1-CB 3.92Å; I429-F453 HydrophobicContact CD1-CD2 4.32Å; I429-F453 HydrophobicContact CD1-CG 4.11Å; I429-I455 HydrophobicContact CD1-CD1 3.81Å; I429-I455 HydrophobicContact CD1-CG1 3.93Å; I429-E460 WeakPolarHBondContact CA-O 3.19Å; I429-L461 HydrophobicContact CG1-CD1 4.32Å
430	D	87.7	Confident	90.6	Very high	68 Å²	68	49.5 Å²	49.5	36%	0.364	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	50.4	-174.8	-62	-3.2	0	0	0	112.4	K432 G458 K459 E460	D430-K432 PolarHBondContact O-N 3.41Å; D430-K432 VanDerWaalsContact O-N 3.11Å; D430-G458 WeakPolarHBondContact OD2-CA 3.48Å; D430-K459 WeakPolarHBondContact OD1-CA 3.22Å; D430-K459 WeakPolarHBondContact OD1-CB 3.22Å; D430-K459 PolarHBondContact OD1-N 2.96Å; D430-K459 PolarHBondContact OD2-N 3.18Å; D430-E460 PolarHBondContact N-O 2.88Å; D430-E460 VanDerWaalsContact N-O 3.12Å; D430-E460 PolarHBondContact OD1-N 2.95Å
431	H	87.2	Confident	91.1	Very high	106 Å²	106	51 Å²	51	49%	0.491	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	4.5	-174.8	-48.4	-57.9	0	0	0	116.7	I429 E462	I429-H431 VanDerWaalsContact C-N 3.28Å; I429-H431 PolarHBondContact O-N 3.17Å; H431-E462 IonicContact CE1-OE2 2.74Å; H431-E462 IonicContact CG-OE2 3.64Å; H431-E462 IonicContact ND1-OE2 3.73Å; H431-E462 PolarHBondContact ND1-OE2 2.69Å
432	K	88.3	Confident	91.3	Very high	155 Å²	155	51.9 Å²	51.9	67%	0.674	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.7	171.8	-174.2	-175.8	175.5	-170.9	0	110.2	L428 I429 D430 V434	L428-K432 CarbonylContact C-O 3.57Å; L428-K432 WeakPolarHBondContact CA-O 2.98Å; I429-K432 PolarHBondContact N-O 3.29Å; I429-K432 WeakPolarHBondContact O-CB 3.27Å; I429-K432 PolarHBondContact O-N 3.04Å; D430-K432 PolarHBondContact O-N 3.41Å; D430-K432 VanDerWaalsContact O-N 3.11Å; K432-V434 PolarHBondContact O-N 2.92Å
433	R	90	Very high	91.2	Very high	85 Å²	85	53.4 Å²	53.4	32%	0.321	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	120.8	173.6	-167.9	-178.2	-67.1	-98.9	-4.7	110.7	E303 S426 L428 D436 Y466	E303-R433 IonicContact OE1-NH2 3.71Å; E303-R433 PolarHBondContact OE1-NH2 3.02Å; E303-R433 IonicContact OE2-NH2 2.73Å; S426-R433 VanDerWaalsContact CB-NH1 3.32Å; S426-R433 PolarHBondContact OG-NH1 3.46Å; L428-R433 HydrophobicContact CD1-CB 4.47Å; L428-R433 HydrophobicContact CD1-CG 4.42Å; L428-R433 HydrophobicContact CG-CB 4.17Å; R433-D436 WeakPolarHBondContact CD-OD2 3.48Å; R433-D436 IonicContact CZ-OD1 3.98Å; R433-D436 IonicContact NH1-OD1 3.68Å; R433-D436 PolarHBondContact NH1-OD1 2.79Å; R433-D436 IonicContact NH1-OD2 2.77Å; R433-Y466 PolarHBondContact NH2-OH 3.46Å
434	V	91.7	Very high	91	Very high	58 Å²	58	58.6 Å²	58.6	35%	0.352	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-25.9	-179.2	-68.4	0	0	0	0	113.2	L427 I429 K432 F453	L427-V434 HydrophobicContact CB-CG2 4.29Å; L427-V434 VanDerWaalsContact O-CG2 3.24Å; L427-V434 WeakPolarHBondContact O-CG2 3.47Å; L427-V434 PolarHBondContact O-N 2.89Å; I429-V434 HydrophobicContact CB-CG1 4.35Å; I429-V434 HydrophobicContact CD1-CG1 4.22Å; I429-V434 HydrophobicContact CD1-CG2 4.06Å; I429-V434 HydrophobicContact CG1-CG1 4.28Å; I429-V434 HydrophobicContact CG1-CG2 3.94Å; K432-V434 PolarHBondContact O-N 2.92Å; V434-F453 HydrophobicContact CB-CD1 3.95Å; V434-F453 HydrophobicContact CB-CE1 3.81Å; V434-F453 HydrophobicContact CB-CZ 4.48Å; V434-F453 HydrophobicContact CG2-CD1 3.87Å; V434-F453 HydrophobicContact CG2-CD2 4.5Å; V434-F453 HydrophobicContact CG2-CE1 3.58Å; V434-F453 HydrophobicContact CG2-CE2 4.24Å; V434-F453 HydrophobicContact CG2-CG 4.32Å; V434-F453 HydrophobicContact CG2-CZ 3.77Å
435	W	94.3	Very high	90.8	Very high	45 Å²	45	62 Å²	62	17%	0.17	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	156.3	178.3	-178.7	89.8	0	0	0	111.9	C377 C425 S426 L427 S437 T451 F453	C377-W435 HydrophobicContact CB-CH2 4.07Å; C377-W435 HydrophobicContact CB-CZ3 4.16Å; C425-W435 HydrophobicContact CB-CZ3 4.38Å; S426-W435 WeakPolarHBondContact CA-O 3.12Å; L427-W435 HydrophobicContact CB-CB 4.31Å; L427-W435 HydrophobicContact CB-CE3 4.44Å; L427-W435 HydrophobicContact CD1-CD2 4.28Å; L427-W435 HydrophobicContact CD1-CE3 3.68Å; L427-W435 HydrophobicContact CD1-CZ3 4.24Å; L427-W435 HydrophobicContact CG-CE3 3.79Å; L427-W435 HydrophobicContact CG-CZ3 4.37Å; L427-W435 PolarHBondContact N-O 2.58Å; L427-W435 PolarHBondContact O-N 2.78Å; W435-S437 VanDerWaalsContact CH2-CB 3.42Å; W435-T451 HydrophobicContact CB-CG2 4.47Å; W435-T451 HydrophobicContact CD2-CG2 4.03Å; W435-T451 HydrophobicContact CG-CG2 3.93Å; W435-F453 HydrophobicContact CB-CE1 3.71Å; W435-F453 HydrophobicContact CB-CZ 3.49Å; W435-F453 VanDerWaalsContact CB-CZ 3.49Å; W435-F453 HydrophobicContact CG-CZ 4.2Å
436	D	92.9	Very high	90.5	Very high	47 Å²	47	62.6 Å²	62.6	25%	0.251	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	141.8	174.7	-73.1	-52.3	0	0	0	110.2	R424 C425 S426 R433	R424-D436 VanDerWaalsContact CZ-CB 3.41Å; R424-D436 IonicContact CZ-OD1 2.9Å; R424-D436 IonicContact CZ-OD2 3.86Å; R424-D436 IonicContact NH1-OD1 3.9Å; R424-D436 PolarHBondContact NH1-OD1 2.93Å; R424-D436 IonicContact NH1-OD2 2.86Å; R424-D436 PolarHBondContact NH1-OD2 3.14Å; R424-D436 IonicContact NH2-OD1 2.66Å; R424-D436 IonicContact NH2-OD2 3.22Å; R424-D436 PolarHBondContact NH2-OD2 2.81Å; C425-D436 CarbonylContact O-C 3.57Å; C425-D436 WeakPolarHBondContact O-CA 3.29Å; S426-D436 WeakPolarHBondContact CB-OD1 3.16Å; S426-D436 PolarHBondContact OG-OD1 2.8Å; R433-D436 WeakPolarHBondContact CD-OD2 3.48Å; R433-D436 IonicContact CZ-OD1 3.98Å; R433-D436 IonicContact NH1-OD1 3.68Å; R433-D436 PolarHBondContact NH1-OD1 2.79Å; R433-D436 IonicContact NH1-OD2 2.77Å
437	S	93.1	Very high	90.4	Very high	6 Å²	6	63.3 Å²	63.3	4%	0.042	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-77.9	165.1	171.8	85	0	0	0	0	111.6	R424 C425 W435 W447	R424-S437 WeakPolarHBondContact CA-OG 3.47Å; R424-S437 WeakPolarHBondContact CG-O 3.45Å; R424-S437 PolarHBondContact NE-O 3.08Å; C425-S437 PolarHBondContact N-OG 2.66Å; C425-S437 PolarHBondContact O-N 3.21Å; W435-S437 VanDerWaalsContact CH2-CB 3.42Å; S437-W447 VanDerWaalsContact OG-CD1 3.24Å; S437-W447 PolarHBondContact OG-NE1 2.75Å
438	P	91.2	Very high	90.1	Very high	52 Å²	52	66.8 Å²	66.8	34%	0.338	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-67.5	156	160.3	29.8	-35.2	0	0	0	111.3	R440 W447	P438-R440 HydrophobicContact CG-CG 4.27Å; P438-W447 VanDerWaalsContact O-CD1 3.27Å; P438-W447 PolarHBondContact O-NE1 3.29Å
439	W	91	Very high	89.8	Confident	72 Å²	72	68 Å²	68	27%	0.273	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-67.4	128	167.6	-68.2	106	0	0	0	110.2	D422 V423 R424 K468 W500	D422-W439 HydrophobicContact CB-CB 4.03Å; D422-W439 HydrophobicContact CB-CE3 4.24Å; D422-W439 WeakPolarHBondContact O-CZ3 2.88Å; V423-W439 WeakPolarHBondContact O-CA 3.24Å; R424-W439 HydrophobicContact CB-CD2 3.81Å; R424-W439 HydrophobicContact CB-CE3 3.52Å; R424-W439 HydrophobicContact CB-CH2 3.9Å; R424-W439 HydrophobicContact CB-CZ2 4.17Å; R424-W439 HydrophobicContact CB-CZ3 3.55Å; W439-K468 HydrophobicContact CD2-CB 4.37Å; W439-K468 HydrophobicContact CE3-CB 3.89Å; W439-K468 HydrophobicContact CH2-CB 4.06Å; W439-K468 HydrophobicContact CZ3-CB 3.74Å; W439-K468 VanDerWaalsContact CZ3-N 3.28Å; W439-W500 HydrophobicContact CH2-CB 3.94Å; W439-W500 HydrophobicContact CZ2-CB 4.32Å
440	R	91.5	Very high	89.8	Confident	130 Å²	130	73 Å²	73	49%	0.491	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-149.9	150.2	-174.6	-71.2	-73	-174.5	-104.3	8.7	111.1	D422 V423 P438 C446	D422-R440 CarbonylContact C-O 3.3Å; D422-R440 WeakPolarHBondContact CA-O 3.4Å; V423-R440 WeakPolarHBondContact CG2-O 3.35Å; V423-R440 PolarHBondContact N-O 3.2Å; V423-R440 PolarHBondContact O-N 3.09Å; P438-R440 HydrophobicContact CG-CG 4.27Å; R440-C446 HydrophobicContact CB-CB 4.17Å; R440-C446 WeakPolarHBondContact CG-O 3.39Å
441	Q	87.6	Confident	89.9	Confident	88 Å²	88	70.8 Å²	70.8	41%	0.411	34%	0.336	S	S	.	.			trans	-61.1	134.3	169.2	-75.3	-67.9	-53	0	0	111.1	W420 D422 N443 C446	W420-Q441 PolarHBondContact O-NE2 3.11Å; W420-Q441 PolarHBondContact O-OE1 2.8Å; D422-Q441 PolarHBondContact OD1-N 3.37Å; D422-Q441 PolarHBondContact OD1-NE2 3.09Å; Q441-N443 PolarHBondContact O-N 3.36Å; Q441-C446 WeakPolarHBondContact O-CB 3.37Å
442	P	87.6	Confident	90	Very high	32 Å²	32	69.1 Å²	69.1	21%	0.208	33%	0.333	C	S	.	.			trans	-67.3	125.8	-174.8	25.1	-31.9	0	0	0	112.1	W420 V423	W420-P442 HydrophobicContact CB-CG 3.44Å; W420-P442 VanDerWaalsContact CB-CG 3.44Å; W420-P442 HydrophobicContact CD2-CG 3.57Å; W420-P442 HydrophobicContact CE3-CG 3.8Å; W420-P442 HydrophobicContact CG-CG 3.43Å; W420-P442 VanDerWaalsContact CG-CG 3.43Å; V423-P442 HydrophobicContact CG1-CB 4.26Å; V423-P442 HydrophobicContact CG1-CG 4.37Å; V423-P442 HydrophobicContact CG2-CB 3.73Å; V423-P442 HydrophobicContact CG2-CG 4.39Å
443	N	86.5	Confident	90	Very high	85 Å²	85	62.7 Å²	62.7	46%	0.455	31%	0.305	S	S	.	.	S	Bend	trans	-158.5	173.9	167.5	70.4	69.2	0	0	0	109.3	G379 C380 Q441 Q445 C446	G379-N443 WeakPolarHBondContact CA-O 3.37Å; C380-N443 PolarHBondContact N-O 3.06Å; C380-N443 CarbonylContact O-C 3.52Å; C380-N443 VanDerWaalsContact O-C 3.3Å; Q441-N443 PolarHBondContact O-N 3.36Å; N443-Q445 PolarHBondContact O-N 2.74Å; N443-Q445 VanDerWaalsContact O-N 3.08Å; N443-Q445 WeakPolarHBondContact OD1-CA 3.21Å; N443-Q445 PolarHBondContact OD1-N 3.17Å; N443-C446 WeakPolarHBondContact ND2-CB 3.19Å; N443-C446 PolarHBondContact O-N 2.86Å; N443-C446 PolarHBondContact O-SG 3.21Å; N443-C446 VanDerWaalsContact O-SG 3.37Å; N443-C446 WeakPolarHBondContact OD1-CA 3.45Å; N443-C446 PolarHBondContact OD1-N 3.33Å
444	Q	87.4	Confident	89.8	Confident	111 Å²	111	65.5 Å²	65.5	52%	0.519	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.9	-174.4	-63.7	-177.9	-2.8	0	0	114.7	G379 F532	G379-Q444 WeakPolarHBondContact CA-O 3.33Å; G379-Q444 PolarHBondContact N-O 2.88Å; Q444-F532 HydrophobicContact CB-CD2 4.35Å; Q444-F532 HydrophobicContact CB-CE2 4.1Å; Q444-F532 HydrophobicContact CG-CE2 3.84Å; Q444-F532 HydrophobicContact CG-CZ 4.17Å
445	Q	88.8	Confident	89.4	Confident	136 Å²	136	63.2 Å²	63.2	64%	0.636	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.3	27.7	-179.2	-64.8	-176.3	-24.7	0	0	112.3	L378 N443 W447	L378-Q445 CarbonylContact O-C 3.53Å; L378-Q445 WeakPolarHBondContact O-CA 3.38Å; N443-Q445 PolarHBondContact O-N 2.74Å; N443-Q445 VanDerWaalsContact O-N 3.08Å; N443-Q445 WeakPolarHBondContact OD1-CA 3.21Å; N443-Q445 PolarHBondContact OD1-N 3.17Å; Q445-W447 VanDerWaalsContact C-N 3.27Å; Q445-W447 PolarHBondContact O-N 3.09Å
446	C	88.6	Confident	88.8	Confident	12 Å²	12	67.4 Å²	67.4	8%	0.081	34%	0.338	C	S	.	.	S	Bend	trans	-65.5	-23.3	-168.2	59.2	0	0	0	0	115.5	L378 R440 Q441 N443	L378-C446 PolarHBondContact O-N 2.93Å; L378-C446 VanDerWaalsContact O-N 3.11Å; R440-C446 HydrophobicContact CB-CB 4.17Å; R440-C446 WeakPolarHBondContact CG-O 3.39Å; Q441-C446 WeakPolarHBondContact O-CB 3.37Å; N443-C446 WeakPolarHBondContact ND2-CB 3.19Å; N443-C446 PolarHBondContact O-N 2.86Å; N443-C446 PolarHBondContact O-SG 3.21Å; N443-C446 VanDerWaalsContact O-SG 3.37Å; N443-C446 WeakPolarHBondContact OD1-CA 3.45Å; N443-C446 PolarHBondContact OD1-N 3.33Å
447	W	91.3	Very high	88.2	Confident	14 Å²	14	69.6 Å²	69.6	5%	0.053	34%	0.343	C	S	.	.	S	Bend	trans	-109.2	-35.5	-179.1	-57.1	-57	0	0	0	113.4	L378 C380 V423 C425 S437 P438 Q445 S449 V465	L378-W447 PolarHBondContact O-N 2.9Å; C380-W447 HydrophobicContact CB-CH2 3.83Å; C380-W447 HydrophobicContact CB-CZ3 3.96Å; V423-W447 HydrophobicContact CB-CZ2 4.11Å; V423-W447 HydrophobicContact CG2-CH2 4.36Å; V423-W447 HydrophobicContact CG2-CZ2 3.62Å; V423-W447 PolarHBondContact O-NE1 3.42Å; C425-W447 HydrophobicContact CB-CD2 4.18Å; C425-W447 HydrophobicContact CB-CE3 3.9Å; C425-W447 HydrophobicContact CB-CH2 3.69Å; C425-W447 HydrophobicContact CB-CZ2 3.94Å; C425-W447 HydrophobicContact CB-CZ3 3.66Å; S437-W447 VanDerWaalsContact OG-CD1 3.24Å; S437-W447 PolarHBondContact OG-NE1 2.75Å; P438-W447 VanDerWaalsContact O-CD1 3.27Å; P438-W447 PolarHBondContact O-NE1 3.29Å; Q445-W447 VanDerWaalsContact C-N 3.27Å; Q445-W447 PolarHBondContact O-N 3.09Å; W447-S449 PolarHBondContact O-N 3.36Å; W447-S449 PolarHBondContact O-OG 2.66Å; W447-V465 HydrophobicContact CH2-CG1 4.26Å; W447-V465 HydrophobicContact CH2-CG2 4.27Å
448	D	89.4	Confident	87.7	Confident	73 Å²	73	69.5 Å²	69.5	39%	0.39	34%	0.343	S	S	.	.			trans	24.7	56.9	-171.1	-164.6	18.6	0	0	0	115.3	R376 C377 L378	R376-D448 IonicContact CZ-OD1 3.84Å; R376-D448 IonicContact CZ-OD2 2.8Å; R376-D448 IonicContact NE-OD1 3.02Å; R376-D448 PolarHBondContact NE-OD1 2.95Å; R376-D448 IonicContact NH2-OD1 2.99Å; R376-D448 PolarHBondContact NH2-OD1 3.34Å; R376-D448 IonicContact NH2-OD2 3.66Å; R376-D448 PolarHBondContact NH2-OD2 3.19Å; C377-D448 CarbonylContact O-C 3.55Å; C377-D448 WeakPolarHBondContact O-CA 3.47Å; C377-D448 PolarHBondContact O-N 3.14Å; L378-D448 VanDerWaalsContact CD2-OD1 3.29Å; L378-D448 WeakPolarHBondContact CD2-OD1 3.34Å; L378-D448 PolarHBondContact O-N 3.4Å
449	S	88.6	Confident	87.5	Confident	30 Å²	30	71 Å²	71	21%	0.21	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.4	-171.3	-68.8	0	0	0	0	111.2	R376 C377 W447	R376-S449 CarbonylContact C-O 3.52Å; R376-S449 WeakPolarHBondContact CA-O 3.43Å; C377-S449 PolarHBondContact N-O 3.03Å; C377-S449 PolarHBondContact O-N 2.91Å; W447-S449 PolarHBondContact O-N 3.36Å; W447-S449 PolarHBondContact O-OG 2.66Å
450	K	90.5	Very high	87.5	Confident	127 Å²	127	69.3 Å²	69.3	55%	0.552	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	137.9	174.5	173.4	171.7	161.7	157.4	0	111.1	E374 V375 R376	E374-K450 HydrophobicContact CG-CD 4.3Å; E374-K450 HydrophobicContact CG-CG 4.32Å; E374-K450 WeakPolarHBondContact OE1-CD 3.44Å; E374-K450 WeakPolarHBondContact OE1-CE 3.32Å; E374-K450 IonicContact OE1-NZ 2.81Å; E374-K450 PolarHBondContact OE1-NZ 2.89Å; E374-K450 WeakPolarHBondContact OE2-CE 3.16Å; E374-K450 IonicContact OE2-NZ 3.6Å; E374-K450 PolarHBondContact OE2-NZ 3.44Å; V375-K450 WeakPolarHBondContact O-CA 3.36Å; R376-K450 HydrophobicContact CB-CB 4.39Å; R376-K450 HydrophobicContact CG-CB 4.33Å
451	T	90.5	Very high	87.5	Confident	23 Å²	23	63.1 Å²	63.1	14%	0.141	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.5	176.1	-179.2	0	0	0	0	109.8	V375 L427 W435 F453	V375-T451 HydrophobicContact CB-CG2 4.15Å; V375-T451 PolarHBondContact N-O 2.86Å; V375-T451 WeakPolarHBondContact O-CG2 3.3Å; V375-T451 PolarHBondContact O-N 2.92Å; V375-T451 VanDerWaalsContact O-O 3.13Å; L427-T451 HydrophobicContact CD1-CG2 4.09Å; W435-T451 HydrophobicContact CB-CG2 4.47Å; W435-T451 HydrophobicContact CD2-CG2 4.03Å; W435-T451 HydrophobicContact CG-CG2 3.93Å; T451-F453 HydrophobicContact CG2-CE1 4.28Å; T451-F453 HydrophobicContact CG2-CE2 3.73Å; T451-F453 HydrophobicContact CG2-CZ 3.41Å; T451-F453 VanDerWaalsContact CG2-CZ 3.41Å; T451-F453 WeakPolarHBondContact OG1-CE1 3.31Å; T451-F453 WeakPolarHBondContact OG1-CZ 3.49Å
452	T	89.6	Confident	87.8	Confident	70 Å²	70	59 Å²	59	43%	0.429	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	136.9	-179.9	-53.9	0	0	0	0	110	S372 L373 E374	S372-T452 WeakPolarHBondContact OG-CG2 3.43Å; L373-T452 CarbonylContact O-C 3.3Å; L373-T452 WeakPolarHBondContact O-CA 3.34Å; E374-T452 HydrophobicContact CB-CG2 4.43Å
453	F	87.2	Confident	88.2	Confident	20 Å²	20	57.5 Å²	57.5	9%	0.088	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.3	-176.5	-49.3	-67.1	0	0	0	110.2	S372 L373 V375 L427 I429 V434 W435 T451 I455	S372-F453 WeakPolarHBondContact CA-O 3.38Å; L373-F453 PolarHBondContact N-O 2.73Å; L373-F453 PolarHBondContact O-N 3.21Å; V375-F453 HydrophobicContact CB-CE2 4.31Å; V375-F453 HydrophobicContact CG2-CD2 4.2Å; V375-F453 HydrophobicContact CG2-CE2 3.88Å; L427-F453 HydrophobicContact CB-CZ 4.44Å; L427-F453 HydrophobicContact CD1-CE2 3.96Å; L427-F453 HydrophobicContact CD1-CZ 4.02Å; I429-F453 HydrophobicContact CD1-CB 3.92Å; I429-F453 HydrophobicContact CD1-CD2 4.32Å; I429-F453 HydrophobicContact CD1-CG 4.11Å; V434-F453 HydrophobicContact CB-CD1 3.95Å; V434-F453 HydrophobicContact CB-CE1 3.81Å; V434-F453 HydrophobicContact CB-CZ 4.48Å; V434-F453 HydrophobicContact CG2-CD1 3.87Å; V434-F453 HydrophobicContact CG2-CD2 4.5Å; V434-F453 HydrophobicContact CG2-CE1 3.58Å; V434-F453 HydrophobicContact CG2-CE2 4.24Å; V434-F453 HydrophobicContact CG2-CG 4.32Å; V434-F453 HydrophobicContact CG2-CZ 3.77Å; W435-F453 HydrophobicContact CB-CE1 3.71Å; W435-F453 HydrophobicContact CB-CZ 3.49Å; W435-F453 VanDerWaalsContact CB-CZ 3.49Å; W435-F453 HydrophobicContact CG-CZ 4.2Å; T451-F453 HydrophobicContact CG2-CE1 4.28Å; T451-F453 HydrophobicContact CG2-CE2 3.73Å; T451-F453 HydrophobicContact CG2-CZ 3.41Å; T451-F453 VanDerWaalsContact CG2-CZ 3.41Å; T451-F453 WeakPolarHBondContact OG1-CE1 3.31Å; T451-F453 WeakPolarHBondContact OG1-CZ 3.49Å; F453-I455 HydrophobicContact CB-CG1 4.34Å; F453-I455 PolarHBondContact O-N 2.78Å
454	N	86.2	Confident	88.6	Confident	144 Å²	144	53.5 Å²	53.5	77%	0.77	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	114.1	165.9	-68.2	-14.8	0	0	0	108	S372	S372-N454 PolarHBondContact OG-OD1 3.39Å
455	I	84.3	Confident	88.9	Confident	10 Å²	10	48.2 Å²	48.2	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.6	-175.8	-55.4	-167	0	0	0	108	I369 T370 G371 L373 I429 F453 L510 F537	I369-I455 WeakPolarHBondContact O-CG2 3.5Å; T370-I455 CarbonylContact C-O 3.51Å; T370-I455 WeakPolarHBondContact CA-O 3.48Å; T370-I455 WeakPolarHBondContact CG2-O 3.38Å; G371-I455 PolarHBondContact N-O 3.21Å; G371-I455 PolarHBondContact O-N 2.8Å; L373-I455 HydrophobicContact CB-CD1 3.55Å; L373-I455 HydrophobicContact CB-CG1 4.16Å; L373-I455 HydrophobicContact CD2-CD1 3.8Å; L373-I455 HydrophobicContact CG-CD1 4.33Å; I429-I455 HydrophobicContact CD1-CD1 3.81Å; I429-I455 HydrophobicContact CD1-CG1 3.93Å; F453-I455 HydrophobicContact CB-CG1 4.34Å; F453-I455 PolarHBondContact O-N 2.78Å; I455-L510 HydrophobicContact CD1-CD1 3.69Å; I455-L510 HydrophobicContact CD1-CD2 4.28Å; I455-L510 HydrophobicContact CG2-CD1 4.12Å; I455-F537 HydrophobicContact CD1-CE2 4.05Å; I455-F537 HydrophobicContact CD1-CZ 4.41Å
456	D	81.3	Confident	89.1	Confident	134 Å²	134	41.9 Å²	41.9	72%	0.717	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	104.7	167.8	-178.6	31.4	0	0	0	108.8	G458	D456-G458 VanDerWaalsContact C-N 3.26Å; D456-G458 PolarHBondContact O-N 3Å
457	R	79.5	Confident	89.2	Confident	93 Å²	93	41.5 Å²	41.5	35%	0.351	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.7	29.6	178.5	-50.5	-173.3	76.4	-164.5	4.2	116	A368 I369 T370 S543	A368-R457 HydrophobicContact CB-CB 4.14Å; A368-R457 WeakPolarHBondContact CB-O 3.33Å; I369-R457 CarbonylContact O-C 3.38Å; I369-R457 WeakPolarHBondContact O-CA 3.29Å; I369-R457 PolarHBondContact O-N 3.38Å; I369-R457 VanDerWaalsContact O-N 3.1Å; T370-R457 PolarHBondContact OG1-N 3.19Å; R457-S543 PolarHBondContact NE-OG 3.37Å; R457-S543 VanDerWaalsContact NE-OG 3.15Å
458	G	83.7	Confident	88.9	Confident	3 Å²	3	44.7 Å²	44.7	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	155.9	172.7	0	0	0	0	0	112.2	I369 D430 D456	I369-G458 PolarHBondContact N-O 3.08Å; I369-G458 PolarHBondContact O-N 3.44Å; D430-G458 WeakPolarHBondContact OD2-CA 3.48Å; D456-G458 VanDerWaalsContact C-N 3.26Å; D456-G458 PolarHBondContact O-N 3Å
459	K	87	Confident	88	Confident	85 Å²	85	42.9 Å²	42.9	37%	0.37	21%	0.209	S	C	.	.			trans	-118.6	-45.1	-175.5	-57.1	178.2	178.2	-169.8	0	113.4	P366 A368 D430 L510	P366-K459 HydrophobicContact CB-CB 4.1Å; P366-K459 HydrophobicContact CG-CB 3.92Å; P366-K459 HydrophobicContact CG-CD 4.29Å; A368-K459 HydrophobicContact CB-CG 4.15Å; D430-K459 WeakPolarHBondContact OD1-CA 3.22Å; D430-K459 WeakPolarHBondContact OD1-CB 3.22Å; D430-K459 PolarHBondContact OD1-N 2.96Å; D430-K459 PolarHBondContact OD2-N 3.18Å; K459-L510 WeakPolarHBondContact O-CB 3.5Å; K459-L510 WeakPolarHBondContact O-CG 3.38Å; K459-L510 PolarHBondContact O-N 2.76Å
460	E	90.1	Very high	86.6	Confident	36 Å²	36	46.9 Å²	46.9	17%	0.168	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138.4	-175.3	-65.2	-175.6	94.7	0	0	111.7	R264 P366 I429 D430 V508 R509	R264-E460 IonicContact CZ-OE1 3.3Å; R264-E460 IonicContact NH2-OE1 2.98Å; R264-E460 PolarHBondContact NH2-OE1 2.92Å; P366-E460 HydrophobicContact CB-CG 4.11Å; P366-E460 HydrophobicContact CG-CG 3.78Å; I429-E460 WeakPolarHBondContact CA-O 3.19Å; D430-E460 PolarHBondContact N-O 2.88Å; D430-E460 VanDerWaalsContact N-O 3.12Å; D430-E460 PolarHBondContact OD1-N 2.95Å; E460-V508 WeakPolarHBondContact CA-O 3.47Å; E460-R509 HydrophobicContact CG-CG 4.34Å
461	L	91.8	Very high	84.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116	164.9	176.1	72.3	0	0	0	108.2	L373 L427 I429 V463 Y507 V508 L510 L535	L373-L461 HydrophobicContact CD2-CD1 4.4Å; L373-L461 HydrophobicContact CD2-CD2 4.32Å; L427-L461 HydrophobicContact CB-CD1 4.34Å; L427-L461 HydrophobicContact CD2-CD1 4.4Å; I429-L461 HydrophobicContact CG1-CD1 4.32Å; L461-V463 HydrophobicContact CD2-CG2 4.23Å; L461-V463 HydrophobicContact CG-CG2 4.17Å; L461-Y507 CarbonylContact O-C 3.56Å; L461-Y507 WeakPolarHBondContact O-CA 2.9Å; L461-V508 HydrophobicContact CB-CB 4.38Å; L461-V508 PolarHBondContact N-O 2.78Å; L461-V508 PolarHBondContact O-N 2.79Å; L461-L510 HydrophobicContact CB-CD2 3.99Å; L461-L535 HydrophobicContact CD2-CD2 4.19Å
462	E	94.2	Very high	82.4	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.5	172.8	168.6	175.1	-167.6	0	0	109.5	R307 L428 H431 Q464 V505 Y507	R307-E462 IonicContact CZ-OE1 3.24Å; R307-E462 IonicContact NE-OE1 2.72Å; R307-E462 PolarHBondContact NE-OE1 2.89Å; L428-E462 HydrophobicContact CB-CB 3.95Å; L428-E462 HydrophobicContact CB-CG 4.27Å; L428-E462 HydrophobicContact CD2-CG 4.44Å; L428-E462 PolarHBondContact N-O 3.17Å; L428-E462 PolarHBondContact O-N 3.41Å; H431-E462 IonicContact CE1-OE2 2.74Å; H431-E462 IonicContact CG-OE2 3.64Å; H431-E462 IonicContact ND1-OE2 3.73Å; H431-E462 PolarHBondContact ND1-OE2 2.69Å; E462-Q464 HydrophobicContact CG-CG 4.18Å; E462-Q464 PolarHBondContact OE1-NE2 3.32Å; E462-V505 HydrophobicContact CG-CG2 4.11Å; E462-Y507 HydrophobicContact CB-CD1 3.75Å; E462-Y507 HydrophobicContact CB-CE1 3.63Å; E462-Y507 VanDerWaalsContact CD-OH 3.29Å; E462-Y507 HydrophobicContact CG-CD1 4.07Å; E462-Y507 HydrophobicContact CG-CE1 3.51Å; E462-Y507 PolarHBondContact OE1-OH 2.71Å
463	V	94.8	Very high	79.6	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.7	-178.4	-175.3	0	0	0	0	108	L427 L461 V505 N506 L523 M525 V531 L533	L427-V463 HydrophobicContact CD2-CB 4.36Å; L427-V463 HydrophobicContact CD2-CG1 4.12Å; L427-V463 HydrophobicContact CD2-CG2 3.89Å; L461-V463 HydrophobicContact CD2-CG2 4.23Å; L461-V463 HydrophobicContact CG-CG2 4.17Å; V463-V505 CarbonylContact O-C 3.59Å; V463-V505 VanDerWaalsContact O-CA 3.29Å; V463-V505 WeakPolarHBondContact O-CA 3.31Å; V463-N506 PolarHBondContact N-O 3.05Å; V463-N506 PolarHBondContact O-N 3.36Å; V463-L523 HydrophobicContact CB-CD2 4Å; V463-L523 HydrophobicContact CG1-CD2 4.37Å; V463-L523 HydrophobicContact CG2-CD2 3.76Å; V463-M525 HydrophobicContact CG1-CE 4.24Å; V463-V531 HydrophobicContact CG1-CG1 4.39Å; V463-L533 HydrophobicContact CG2-CD1 4.06Å
464	Q	95.4	Very high	77.1	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.6	-177.3	-74.8	165.3	7.4	0	0	110.5	C425 S426 L428 E462 Y466 L502 A504 V505	C425-Q464 CarbonylContact C-O 3.6Å; C425-Q464 VanDerWaalsContact CA-O 3.3Å; C425-Q464 WeakPolarHBondContact CA-O 3.26Å; S426-Q464 PolarHBondContact N-O 3.44Å; S426-Q464 PolarHBondContact O-N 3.38Å; L428-Q464 HydrophobicContact CD1-CG 4.4Å; L428-Q464 VanDerWaalsContact CD1-OE1 3.28Å; E462-Q464 HydrophobicContact CG-CG 4.18Å; E462-Q464 PolarHBondContact OE1-NE2 3.32Å; Q464-Y466 HydrophobicContact CB-CD2 4.42Å; Q464-Y466 HydrophobicContact CB-CE2 3.76Å; Q464-Y466 PolarHBondContact OE1-OH 2.95Å; Q464-L502 HydrophobicContact CB-CD1 3.64Å; Q464-L502 HydrophobicContact CG-CD1 3.84Å; Q464-A504 WeakPolarHBondContact CA-O 3.31Å; Q464-V505 HydrophobicContact CG-CB 4.48Å; Q464-V505 HydrophobicContact CG-CG2 3.92Å
465	V	94.2	Very high	74.6	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.3	172.7	-178.6	0	0	0	0	110	I383 V423 R424 W447 A503 A504 M525 V531	I383-V465 HydrophobicContact CG2-CG1 4.47Å; V423-V465 HydrophobicContact CB-CG1 4.33Å; R424-V465 WeakPolarHBondContact O-CA 3.31Å; W447-V465 HydrophobicContact CH2-CG1 4.26Å; W447-V465 HydrophobicContact CH2-CG2 4.27Å; V465-A503 PolarHBondContact O-N 2.76Å; V465-A504 HydrophobicContact CB-CB 4.21Å; V465-A504 PolarHBondContact N-O 2.66Å; V465-A504 PolarHBondContact O-N 3.34Å; V465-M525 HydrophobicContact CG2-CE 4.22Å; V465-V531 HydrophobicContact CG2-CG2 3.56Å
466	Y	92.8	Very high	72	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.016	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	149.7	178	-64.3	-99.9	0	0	0	110.5	E303 V423 R424 S426 R433 Q464 W500 V501 L502	E303-Y466 VanDerWaalsContact CD-OH 3.32Å; E303-Y466 PolarHBondContact OE1-OH 3.01Å; V423-Y466 CarbonylContact C-O 3.56Å; V423-Y466 WeakPolarHBondContact CA-O 3.29Å; V423-Y466 WeakPolarHBondContact CB-O 2.93Å; R424-Y466 PolarHBondContact N-O 3.2Å; R424-Y466 PolarHBondContact O-N 3.34Å; S426-Y466 WeakPolarHBondContact OG-CE2 3.42Å; R433-Y466 PolarHBondContact NH2-OH 3.46Å; Q464-Y466 HydrophobicContact CB-CD2 4.42Å; Q464-Y466 HydrophobicContact CB-CE2 3.76Å; Q464-Y466 PolarHBondContact OE1-OH 2.95Å; Y466-W500 HydrophobicContact CD1-CB 4.44Å; Y466-W500 AromaticContact CD1-CD2 3.97Å; Y466-W500 HydrophobicContact CD1-CD2 3.97Å; Y466-W500 AromaticContact CD1-CE3 3.51Å; Y466-W500 HydrophobicContact CD1-CE3 3.51Å; Y466-W500 HydrophobicContact CD1-CG 4.37Å; Y466-W500 HydrophobicContact CD1-CZ3 4.13Å; Y466-W500 HydrophobicContact CE1-CD2 4.1Å; Y466-W500 AromaticContact CE1-CE3 3.51Å; Y466-W500 HydrophobicContact CE1-CE3 3.51Å; Y466-W500 HydrophobicContact CE1-CH2 4.31Å; Y466-W500 AromaticContact CE1-CZ3 3.65Å; Y466-W500 HydrophobicContact CE1-CZ3 3.65Å; Y466-V501 CarbonylContact C-O 3.54Å; Y466-V501 WeakPolarHBondContact CA-O 3.28Å; Y466-L502 HydrophobicContact CD1-CB 4.01Å; Y466-L502 HydrophobicContact CD1-CD1 4.32Å; Y466-L502 HydrophobicContact CD2-CD1 4.21Å; Y466-L502 HydrophobicContact CE1-CB 3.82Å; Y466-L502 HydrophobicContact CE1-CD1 4.05Å; Y466-L502 HydrophobicContact CE1-CG 4.47Å; Y466-L502 HydrophobicContact CE2-CD1 3.89Å; Y466-L502 HydrophobicContact CG-CD1 4.41Å
467	W	90.4	Very high	69.7	Low	4 Å²	4	63.6 Å²	63.6	2%	0.015	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.2	163.9	51.8	-69.7	0	0	0	109.7	F387 M411 T412 S413 V423 W500 V501	F387-W467 HydrophobicContact CB-CZ2 4.43Å; F387-W467 HydrophobicContact CD2-CZ2 4.02Å; F387-W467 HydrophobicContact CG-CZ2 4.49Å; M411-W467 HydrophobicContact CB-CH2 4.2Å; M411-W467 HydrophobicContact CG-CH2 3.75Å; M411-W467 HydrophobicContact CG-CZ3 4.26Å; T412-W467 WeakPolarHBondContact O-CZ3 3.46Å; S413-W467 VanDerWaalsContact CB-CD2 3.47Å; S413-W467 VanDerWaalsContact N-CZ3 3.3Å; V423-W467 HydrophobicContact CG1-CB 4.33Å; W467-W500 VanDerWaalsContact O-CA 3.31Å; W467-W500 WeakPolarHBondContact O-CA 3.19Å; W467-V501 VanDerWaalsContact CD1-O 3.31Å; W467-V501 HydrophobicContact CD2-CB 4.06Å; W467-V501 HydrophobicContact CG-CB 4.38Å; W467-V501 HydrophobicContact CH2-CG2 4.47Å; W467-V501 HydrophobicContact CZ2-CB 3.94Å; W467-V501 HydrophobicContact CZ2-CG1 3.92Å; W467-V501 HydrophobicContact CZ2-CG2 4.15Å; W467-V501 PolarHBondContact N-O 3.36Å; W467-V501 PolarHBondContact O-N 2.82Å
468	K	84.6	Confident	67.5	Low	81 Å²	81	64.6 Å²	64.6	35%	0.352	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	147.5	177.6	-167.6	177.6	-179.8	-176.9	0	109.5	V421 D422 W439 E499	V421-K468 HydrophobicContact CG1-CB 3.9Å; V421-K468 WeakPolarHBondContact CG1-O 3.27Å; D422-K468 PolarHBondContact O-N 3.48Å; W439-K468 HydrophobicContact CD2-CB 4.37Å; W439-K468 HydrophobicContact CE3-CB 3.89Å; W439-K468 HydrophobicContact CH2-CB 4.06Å; W439-K468 HydrophobicContact CZ3-CB 3.74Å; W439-K468 VanDerWaalsContact CZ3-N 3.28Å; K468-E499 CarbonylContact C-O 3.57Å; K468-E499 WeakPolarHBondContact CA-O 3.48Å
469	R	71.8	Confident	65.1	Low	34 Å²	34	68.6 Å²	68.6	13%	0.128	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-91.2	124.3	171.6	-175.5	178.4	-173.8	150	5.3	108.8	N393 M411 L498 E499	N393-R469 PolarHBondContact OD1-NH1 3.16Å; N393-R469 PolarHBondContact OD1-NH2 3.41Å; M411-R469 HydrophobicContact CE-CG 3.98Å; R469-L498 WeakPolarHBondContact CD-O 3.39Å; R469-E499 PolarHBondContact N-O 3.02Å
470	M	58.5	Low	62.6	Low	114 Å²	114	70.4 Å²	70.4	56%	0.562	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-92.7	129.2	163.1	-62.5	-136.9	-67.4	0	0	109.3	T415 V421	T415-M470 HydrophobicContact CG2-CE 3.68Å; V421-M470 HydrophobicContact CG1-CG 3.84Å; V421-M470 HydrophobicContact CG2-CE 4.47Å; V421-M470 HydrophobicContact CG2-CG 4.07Å
471	F	53	Low	59.9	Low	115 Å²	115	72.5 Å²	72.5	50%	0.504	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-82.5	126	161.4	-73.6	-87.2	0	0	0	107.6	P473	F471-P473 WeakPolarHBondContact O-CD 2.99Å
472	L	39.9	Very low	57.1	Low	151 Å²	151	78 Å²	78	79%	0.791	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-66.4	125.8	161.6	-88.1	79.3	0	0	0	107.3	S474	L472-S474 PolarHBondContact O-N 3.17Å
473	P	31.9	Very low	54.3	Low	119 Å²	119	83.7 Å²	83.7	77%	0.773	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-65.4	123	166.3	27.6	-31.1	0	0	0	108	F471 S475	F471-P473 WeakPolarHBondContact O-CD 2.99Å; P473-S475 PolarHBondContact O-N 3.1Å
474	S	33.2	Very low	51.2	Low	118 Å²	118	88.3 Å²	88.3	83%	0.825	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-55.8	126.7	174.3	50.2	0	0	0	0	109.8	L472	L472-S474 PolarHBondContact O-N 3.17Å
475	S	33.6	Very low	48.2	Very low	115 Å²	115	96.9 Å²	96.9	80%	0.804	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-58	138.3	-174.5	37.8	0	0	0	0	112.4	P473 T477	P473-S475 PolarHBondContact O-N 3.1Å; S475-T477 PolarHBondContact O-N 3.4Å
476	S	30.1	Very low	45	Very low	118 Å²	118	101.5 Å²	101.5	83%	0.825	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-65.8	127.8	178.3	52.5	0	0	0	0	112.4
477	T	33.8	Very low	42	Very low	143 Å²	143	110.5 Å²	110.5	88%	0.877	69%	0.694	S	S	*	*			trans	-110	132.9	151.8	29.4	0	0	0	0	109.9	S475	S475-T477 PolarHBondContact O-N 3.4Å
478	S	32.2	Very low	38.9	Very low	114 Å²	114	116 Å²	116	80%	0.797	73%	0.734	S	S	*	*			trans	-70.7	143.7	-173.1	51	0	0	0	0	114.2
479	A	34.8	Very low	36.1	Very low	87 Å²	87	115.4 Å²	115.4	72%	0.719	75%	0.75	S	S	*	*				164.6	132.3	106	0	0	0	0	0	114.1
480	S	33.9	Very low	33.8	Very low	123 Å²	123	122.1 Å²	122.1	86%	0.86	79%	0.788	S	S	*	*			trans	29.9	125.8	146.1	60.2	0	0	0	0	121.8
481	G	33.3	Very low	32.4	Very low	81 Å²	81	121.6 Å²	121.6	84%	0.835	80%	0.795	S	S	*	*			trans	175.6	77.1	164.3	0	0	0	0	0	115.8
482	S	33.6	Very low	31.1	Very low	115 Å²	115	126 Å²	126	80%	0.804	82%	0.818	S	S	*	*			trans	-54.1	133.8	175.1	49.8	0	0	0	0	115.7
483	S	35.4	Very low	30.3	Very low	122 Å²	122	125.4 Å²	125.4	85%	0.853	82%	0.815	S	S	*	*				161	146.3	114.7	53.8	0	0	0	0	112.2
484	A	29.5	Very low	30.1	Very low	97 Å²	97	125.6 Å²	125.6	80%	0.802	82%	0.82	S	S	*	*			trans	-100.5	132.4	-176.8	0	0	0	0	0	111.6
485	L	31.5	Very low	29.9	Very low	179 Å²	179	123.3 Å²	123.3	94%	0.937	82%	0.815	S	S	*	*			trans	-150.6	127.7	157.2	-120.7	125.1	0	0	0	111.8
486	S	27.8	Very low	30.2	Very low	98 Å²	98	120.9 Å²	120.9	69%	0.685	80%	0.797	S	S	*	*			trans	-80.1	139.6	-175.6	56.1	0	0	0	0	113.2
487	K	29.7	Very low	30.9	Very low	192 Å²	192	117.7 Å²	117.7	84%	0.835	78%	0.784	S	S	*	*				178.4	120.8	123.6	-98.3	160.9	-176.2	178.6	0	113.2
488	S	25.9	Very low	32.1	Very low	120 Å²	120	113 Å²	113	84%	0.839	75%	0.753	S	S	*	*			trans	38.3	101.1	148.3	59.4	0	0	0	0	119.3
489	G	24.5	Very low	34	Very low	68 Å²	68	113.3 Å²	113.3	70%	0.701	74%	0.742	S	S	*	*			trans	165.7	118.1	158.3	0	0	0	0	0	115.1
490	L	24.7	Very low	36.4	Very low	176 Å²	176	111.2 Å²	111.2	92%	0.921	72%	0.715	S	S	*	*			trans	70.5	152.6	151.3	-55.7	163.9	0	0	0	119.2
491	S	27.4	Very low	39	Very low	102 Å²	102	105.4 Å²	105.4	71%	0.713	67%	0.674	S	S	*	*			trans	53.9	91.9	160.8	58	0	0	0	0	120.4
492	E	25.9	Very low	41.7	Very low	208 Å²	208	101.5 Å²	101.5	97%	0.972	64%	0.635	S	S	*	*				-107	90.4	117.9	-82.3	-169.1	163.2	0	0	107.5
493	D	24.6	Very low	44.5	Very low	138 Å²	138	96 Å²	96	74%	0.738	60%	0.596	S	S	*	*			trans	-132.8	81	177.7	-167.3	28.3	0	0	0	107.9
494	S	27.1	Very low	47.3	Very low	124 Å²	124	90.2 Å²	90.2	87%	0.867	56%	0.556	S	S	*	*			trans	-163.2	141.6	-172.9	-58.7	0	0	0	0	112.2
495	G	28.7	Very low	50.4	Low	70 Å²	70	85.6 Å²	85.6	72%	0.722	52%	0.518	S	S	*	.			trans	112.2	70.6	147.2	0	0	0	0	0	120.1
496	S	40.6	Very low	53.3	Low	63 Å²	63	78.3 Å²	78.3	44%	0.441	48%	0.48	S	S	.	.			trans	57.2	94	141.5	65.7	0	0	0	0	121.1	L498	S496-L498 PolarHBondContact O-N 2.72Å
497	G	43.8	Very low	56.4	Low	52 Å²	52	74.7 Å²	74.7	54%	0.536	45%	0.451	S	S	.	.	S	Bend	trans	-74	45.2	159.6	0	0	0	0	0	114.3
498	L	58.3	Low	59.2	Low	43 Å²	43	66 Å²	66	23%	0.225	41%	0.414	C	S	.	.			trans	-120.4	19.1	-164.4	-71.6	168.2	0	0	0	114.4	R469 S496 W500	R469-L498 WeakPolarHBondContact CD-O 3.39Å; S496-L498 PolarHBondContact O-N 2.72Å; L498-W500 PolarHBondContact O-N 3.21Å; L498-W500 VanDerWaalsContact O-N 3.08Å
499	E	73.3	Confident	62.1	Low	122 Å²	122	61.9 Å²	61.9	57%	0.57	38%	0.38	S	S	*	.	S	Bend	trans	-65.8	-9.5	-168.8	-65.9	-160.5	129.2	0	0	117	K468 R469	K468-E499 CarbonylContact C-O 3.57Å; K468-E499 WeakPolarHBondContact CA-O 3.48Å; R469-E499 PolarHBondContact N-O 3.02Å
500	W	85.2	Confident	65	Low	42 Å²	42	58.6 Å²	58.6	16%	0.159	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	163.2	-175.4	52.1	-101.8	0	0	0	113.1	Q299 R302 E303 H306 W439 Y466 W467 L498	Q299-W500 HydrophobicContact CG-CZ2 4.5Å; R302-W500 PolarHBondContact NH1-O 2.86Å; R302-W500 PolarHBondContact NH2-O 3.4Å; R302-W500 VanDerWaalsContact NH2-O 3.15Å; E303-W500 HydrophobicContact CG-CH2 3.54Å; E303-W500 HydrophobicContact CG-CZ3 4.01Å; H306-W500 AromaticContact ND1-CZ3 3.97Å; W439-W500 HydrophobicContact CH2-CB 3.94Å; W439-W500 HydrophobicContact CZ2-CB 4.32Å; Y466-W500 HydrophobicContact CD1-CB 4.44Å; Y466-W500 AromaticContact CD1-CD2 3.97Å; Y466-W500 HydrophobicContact CD1-CD2 3.97Å; Y466-W500 AromaticContact CD1-CE3 3.51Å; Y466-W500 HydrophobicContact CD1-CE3 3.51Å; Y466-W500 HydrophobicContact CD1-CG 4.37Å; Y466-W500 HydrophobicContact CD1-CZ3 4.13Å; Y466-W500 HydrophobicContact CE1-CD2 4.1Å; Y466-W500 AromaticContact CE1-CE3 3.51Å; Y466-W500 HydrophobicContact CE1-CE3 3.51Å; Y466-W500 HydrophobicContact CE1-CH2 4.31Å; Y466-W500 AromaticContact CE1-CZ3 3.65Å; Y466-W500 HydrophobicContact CE1-CZ3 3.65Å; W467-W500 VanDerWaalsContact O-CA 3.31Å; W467-W500 WeakPolarHBondContact O-CA 3.19Å; L498-W500 PolarHBondContact O-N 3.21Å; L498-W500 VanDerWaalsContact O-N 3.08Å
501	V	88.1	Confident	67.6	Low	1 Å²	1	51.7 Å²	51.7	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	140	170.9	178.3	0	0	0	0	108.5	F387 V392 Y466 W467	F387-V501 HydrophobicContact CD1-CG1 3.96Å; F387-V501 HydrophobicContact CD2-CG1 4.08Å; F387-V501 HydrophobicContact CE1-CG1 4.05Å; F387-V501 HydrophobicContact CE2-CG1 4.21Å; F387-V501 HydrophobicContact CG-CG1 3.98Å; F387-V501 HydrophobicContact CZ-CG1 4.19Å; V392-V501 HydrophobicContact CB-CG2 4.44Å; V392-V501 HydrophobicContact CG1-CG2 3.68Å; V392-V501 HydrophobicContact CG2-CG1 4.26Å; V392-V501 HydrophobicContact CG2-CG2 4Å; Y466-V501 CarbonylContact C-O 3.54Å; Y466-V501 WeakPolarHBondContact CA-O 3.28Å; W467-V501 VanDerWaalsContact CD1-O 3.31Å; W467-V501 HydrophobicContact CD2-CB 4.06Å; W467-V501 HydrophobicContact CG-CB 4.38Å; W467-V501 HydrophobicContact CH2-CG2 4.47Å; W467-V501 HydrophobicContact CZ2-CB 3.94Å; W467-V501 HydrophobicContact CZ2-CG1 3.92Å; W467-V501 HydrophobicContact CZ2-CG2 4.15Å; W467-V501 PolarHBondContact N-O 3.36Å; W467-V501 PolarHBondContact O-N 2.82Å
502	L	91.3	Very high	69.9	Low	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	108.7	175.2	173.2	66.5	0	0	0	108	H306 R307 L310 F387 Q464 Y466 A504	H306-L502 HydrophobicContact CB-CB 3.88Å; H306-L502 HydrophobicContact CB-CD2 4.16Å; H306-L502 HydrophobicContact CB-CG 4.44Å; H306-L502 PolarHBondContact ND1-N 3.5Å; R307-L502 HydrophobicContact CG-CD2 3.7Å; L310-L502 HydrophobicContact CD1-CD2 4.21Å; L310-L502 HydrophobicContact CD1-CG 3.98Å; F387-L502 WeakPolarHBondContact CZ-O 3.41Å; Q464-L502 HydrophobicContact CB-CD1 3.64Å; Q464-L502 HydrophobicContact CG-CD1 3.84Å; Y466-L502 HydrophobicContact CD1-CB 4.01Å; Y466-L502 HydrophobicContact CD1-CD1 4.32Å; Y466-L502 HydrophobicContact CD2-CD1 4.21Å; Y466-L502 HydrophobicContact CE1-CB 3.82Å; Y466-L502 HydrophobicContact CE1-CD1 4.05Å; Y466-L502 HydrophobicContact CE1-CG 4.47Å; Y466-L502 HydrophobicContact CE2-CD1 3.89Å; Y466-L502 HydrophobicContact CG-CD1 4.41Å; L502-A504 WeakPolarHBondContact CD1-O 3.5Å
503	A	91.6	Very high	72.3	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-22.4	-176	0	0	0	0	0	115.1	L310 I383 V384 F387 V465	L310-A503 WeakPolarHBondContact CD2-O 3.41Å; I383-A503 HydrophobicContact CG2-CB 3.55Å; V384-A503 HydrophobicContact CB-CB 4.5Å; V384-A503 WeakPolarHBondContact O-CB 3.17Å; F387-A503 HydrophobicContact CE2-CB 4.22Å; V465-A503 PolarHBondContact O-N 2.76Å
504	A	93.6	Very high	74.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	145.8	-176.6	0	0	0	0	0	111.5	I383 Q464 V465 L502 M525 L526	I383-A504 HydrophobicContact CD1-CB 3.94Å; I383-A504 HydrophobicContact CG2-CB 4.13Å; Q464-A504 WeakPolarHBondContact CA-O 3.31Å; V465-A504 HydrophobicContact CB-CB 4.21Å; V465-A504 PolarHBondContact N-O 2.66Å; V465-A504 PolarHBondContact O-N 3.34Å; L502-A504 WeakPolarHBondContact CD1-O 3.5Å; A504-M525 HydrophobicContact CB-CB 3.77Å; A504-M525 HydrophobicContact CB-CE 4Å; A504-M525 HydrophobicContact CB-CG 4.27Å; A504-L526 WeakPolarHBondContact CA-O 3.48Å
505	V	94.8	Very high	75.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.3	174.9	66.9	0	0	0	0	110.2	L310 F311 E462 V463 Q464 Y507 L526	L310-V505 HydrophobicContact CB-CG1 4.38Å; L310-V505 HydrophobicContact CD1-CB 4.38Å; L310-V505 HydrophobicContact CD1-CG1 4.01Å; F311-V505 HydrophobicContact CD1-CG1 4.42Å; F311-V505 HydrophobicContact CE1-CG1 3.66Å; F311-V505 HydrophobicContact CZ-CG1 4.16Å; E462-V505 HydrophobicContact CG-CG2 4.11Å; V463-V505 CarbonylContact O-C 3.59Å; V463-V505 VanDerWaalsContact O-CA 3.29Å; V463-V505 WeakPolarHBondContact O-CA 3.31Å; Q464-V505 HydrophobicContact CG-CB 4.48Å; Q464-V505 HydrophobicContact CG-CG2 3.92Å; V505-Y507 HydrophobicContact CG1-CE2 4.48Å; V505-Y507 HydrophobicContact CG2-CE2 3.75Å; V505-L526 HydrophobicContact CG1-CB 4.38Å; V505-L526 PolarHBondContact N-O 3.31Å; V505-L526 WeakPolarHBondContact O-CB 3.4Å; V505-L526 PolarHBondContact O-N 3.11Å
506	N	93.2	Very high	77	Confident	26 Å²	26	29.8 Å²	29.8	14%	0.139	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	165.6	159.8	-161.8	11.4	0	0	0	110.9	V463 L523 P524 M525	V463-N506 PolarHBondContact N-O 3.05Å; V463-N506 PolarHBondContact O-N 3.36Å; N506-L523 HydrophobicContact CB-CD2 4.1Å; N506-L523 HydrophobicContact CB-CG 4.21Å; N506-L523 WeakPolarHBondContact ND2-CD1 3.4Å; N506-P524 PolarHBondContact ND2-O 2.98Å; N506-M525 HydrophobicContact CB-CE 4.31Å; N506-M525 HydrophobicContact CB-SD 3.98Å
507	Y	91.7	Very high	78	Confident	21 Å²	21	32.3 Å²	32.3	8%	0.082	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137.5	-176.2	-58.9	-97.6	0	0	0	109.3	R264 F311 L461 E462 V505	R264-Y507 VanDerWaalsContact NE-CG 3.34Å; F311-Y507 AromaticContact CE1-CE2 3.86Å; F311-Y507 HydrophobicContact CE1-CE2 3.86Å; F311-Y507 AromaticContact CZ-CE2 3.69Å; F311-Y507 HydrophobicContact CZ-CE2 3.69Å; L461-Y507 CarbonylContact O-C 3.56Å; L461-Y507 WeakPolarHBondContact O-CA 2.9Å; E462-Y507 HydrophobicContact CB-CD1 3.75Å; E462-Y507 HydrophobicContact CB-CE1 3.63Å; E462-Y507 VanDerWaalsContact CD-OH 3.29Å; E462-Y507 HydrophobicContact CG-CD1 4.07Å; E462-Y507 HydrophobicContact CG-CE1 3.51Å; E462-Y507 PolarHBondContact OE1-OH 2.71Å; V505-Y507 HydrophobicContact CG1-CE2 4.48Å; V505-Y507 HydrophobicContact CG2-CE2 3.75Å
508	V	88.8	Confident	79.2	Confident	10 Å²	10	33.3 Å²	33.3	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.4	173.6	179.5	0	0	0	0	107.5	E460 L461 L510 L513 L523	E460-V508 WeakPolarHBondContact CA-O 3.47Å; L461-V508 HydrophobicContact CB-CB 4.38Å; L461-V508 PolarHBondContact N-O 2.78Å; L461-V508 PolarHBondContact O-N 2.79Å; V508-L510 PolarHBondContact O-N 3.13Å; V508-L513 HydrophobicContact CG1-CD1 4.21Å; V508-L513 HydrophobicContact CG1-CD2 4.17Å; V508-L513 HydrophobicContact CG1-CG 4.17Å; V508-L523 HydrophobicContact CG2-CD1 3.6Å; V508-L523 HydrophobicContact CG2-CD2 4.03Å
509	R	87.1	Confident	79.8	Confident	33 Å²	33	34.8 Å²	34.8	13%	0.125	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127.2	175.6	-56.6	-178.2	176.6	-152.3	-0.7	108.4	E260 S364 P366 E460 E511 E512	E260-R509 IonicContact OE1-CZ 3.24Å; E260-R509 IonicContact OE1-NE 2.88Å; E260-R509 IonicContact OE1-NH2 2.94Å; E260-R509 PolarHBondContact OE1-NH2 2.94Å; E260-R509 IonicContact OE2-NH2 2.69Å; E260-R509 PolarHBondContact OE2-NH2 3.42Å; S364-R509 PolarHBondContact O-NH1 2.69Å; S364-R509 VanDerWaalsContact O-NH1 3.14Å; P366-R509 HydrophobicContact CB-CG 4.42Å; E460-R509 HydrophobicContact CG-CG 4.34Å; R509-E511 HydrophobicContact CB-CG 3.94Å; R509-E511 IonicContact NH1-OE1 3.41Å; R509-E511 PolarHBondContact O-N 3.24Å; R509-E511 VanDerWaalsContact O-N 3.1Å; R509-E512 HydrophobicContact CB-CG 4.17Å; R509-E512 WeakPolarHBondContact CD-OE1 3.4Å; R509-E512 WeakPolarHBondContact O-CB 3.37Å; R509-E512 PolarHBondContact O-N 2.85Å
510	L	85.3	Confident	80.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64	-21.9	-175.9	-63.4	177.2	0	0	0	112	I369 L373 I455 K459 L461 V508 E512 L513 F537	I369-L510 HydrophobicContact CD1-CB 3.99Å; L373-L510 HydrophobicContact CD2-CD2 3.89Å; I455-L510 HydrophobicContact CD1-CD1 3.69Å; I455-L510 HydrophobicContact CD1-CD2 4.28Å; I455-L510 HydrophobicContact CG2-CD1 4.12Å; K459-L510 WeakPolarHBondContact O-CB 3.5Å; K459-L510 WeakPolarHBondContact O-CG 3.38Å; K459-L510 PolarHBondContact O-N 2.76Å; L461-L510 HydrophobicContact CB-CD2 3.99Å; V508-L510 PolarHBondContact O-N 3.13Å; L510-E512 PolarHBondContact O-N 3.04Å; L510-L513 HydrophobicContact CD2-CD1 4.01Å; L510-L513 WeakPolarHBondContact O-CB 3.49Å; L510-L513 PolarHBondContact O-N 3.05Å; L510-L513 VanDerWaalsContact O-N 3.12Å; L510-F537 HydrophobicContact CB-CE2 4.24Å; L510-F537 HydrophobicContact CD1-CE2 4.48Å; L510-F537 HydrophobicContact CD2-CE2 4.23Å
511	E	78.4	Confident	79.8	Confident	30 Å²	30	33.7 Å²	33.7	14%	0.14	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-67	-20.8	174.9	65.7	-166.3	-178.9	0	0	114.2	N201 T367 I369 R509 L513 L514	N201-E511 PolarHBondContact ND2-O 3.01Å; T367-E511 WeakPolarHBondContact CB-OE2 3.32Å; T367-E511 PolarHBondContact N-OE2 2.93Å; T367-E511 PolarHBondContact OG1-OE2 2.94Å; I369-E511 HydrophobicContact CD1-CB 3.75Å; R509-E511 HydrophobicContact CB-CG 3.94Å; R509-E511 IonicContact NH1-OE1 3.41Å; R509-E511 PolarHBondContact O-N 3.24Å; R509-E511 VanDerWaalsContact O-N 3.1Å; E511-L513 VanDerWaalsContact C-N 3.32Å; E511-L514 HydrophobicContact CB-CD1 4.16Å; E511-L514 WeakPolarHBondContact O-CD1 3.29Å; E511-L514 VanDerWaalsContact O-CG 3.32Å; E511-L514 WeakPolarHBondContact O-CG 3.31Å
512	E	77	Confident	79.7	Confident	92 Å²	92	38.6 Å²	38.6	43%	0.43	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-79.3	-18.4	174.1	-62.7	167.6	-166.5	0	0	112	R509 L510 R519	R509-E512 HydrophobicContact CB-CG 4.17Å; R509-E512 WeakPolarHBondContact CD-OE1 3.4Å; R509-E512 WeakPolarHBondContact O-CB 3.37Å; R509-E512 PolarHBondContact O-N 2.85Å; L510-E512 PolarHBondContact O-N 3.04Å; E512-R519 PolarHBondContact O-NH1 3.29Å
513	L	75.8	Confident	79.6	Confident	15 Å²	15	39 Å²	39	8%	0.079	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-90.7	3.4	178.3	-55.5	179	0	0	0	113.5	L373 V508 L510 E511 G515 L535 F537	L373-L513 HydrophobicContact CD1-CD1 3.99Å; V508-L513 HydrophobicContact CG1-CD1 4.21Å; V508-L513 HydrophobicContact CG1-CD2 4.17Å; V508-L513 HydrophobicContact CG1-CG 4.17Å; L510-L513 HydrophobicContact CD2-CD1 4.01Å; L510-L513 WeakPolarHBondContact O-CB 3.49Å; L510-L513 PolarHBondContact O-N 3.05Å; L510-L513 VanDerWaalsContact O-N 3.12Å; E511-L513 VanDerWaalsContact C-N 3.32Å; L513-G515 PolarHBondContact O-N 2.84Å; L513-L535 HydrophobicContact CD1-CD1 4.09Å; L513-L535 HydrophobicContact CD2-CB 4.3Å; L513-L535 HydrophobicContact CD2-CD1 3.79Å; L513-F537 HydrophobicContact CB-CB 4.11Å; L513-F537 HydrophobicContact CB-CD2 4.16Å; L513-F537 HydrophobicContact CD1-CD2 4.41Å
514	L	66.2	Low	79.6	Confident	15 Å²	15	42.8 Å²	42.8	8%	0.079	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	70.2	178.3	-66.2	175.3	0	0	0	112	F198 R205 I369 E511 P540 L542	F198-L514 HydrophobicContact CD2-CD1 4.32Å; R205-L514 PolarHBondContact NH1-O 3.47Å; R205-L514 VanDerWaalsContact NH1-O 3.08Å; R205-L514 PolarHBondContact NH2-O 3.35Å; I369-L514 HydrophobicContact CD1-CD1 4.14Å; I369-L514 HydrophobicContact CD1-CD2 3.95Å; I369-L514 HydrophobicContact CD1-CG 4.12Å; I369-L514 HydrophobicContact CG2-CD2 4.24Å; E511-L514 HydrophobicContact CB-CD1 4.16Å; E511-L514 WeakPolarHBondContact O-CD1 3.29Å; E511-L514 VanDerWaalsContact O-CG 3.32Å; E511-L514 WeakPolarHBondContact O-CG 3.31Å; L514-P540 HydrophobicContact CD2-CB 3.37Å; L514-P540 HydrophobicContact CD2-CG 4.09Å; L514-L542 HydrophobicContact CD1-CD2 3.67Å; L514-L542 HydrophobicContact CD1-CG 4.38Å
515	G	58.7	Low	79.6	Confident	19 Å²	19	43.1 Å²	43.1	20%	0.196	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	-26.3	-171.7	0	0	0	0	0	116	L513 E517	L513-G515 PolarHBondContact O-N 2.84Å; G515-E517 PolarHBondContact O-N 3.45Å
516	G	55.2	Low	79.5	Confident	42 Å²	42	44.2 Å²	44.2	43%	0.433	25%	0.251	S	S	.	.	S	Bend	trans	73.3	-30.8	-172.6	0	0	0	0	0	114.5
517	E	60.3	Low	79.3	Confident	115 Å²	115	44.8 Å²	44.8	54%	0.537	26%	0.256	S	S	.	.	S	Bend	trans	-69.4	147.2	175.8	-67	174.7	165.8	0	0	112.8	G515 R519	G515-E517 PolarHBondContact O-N 3.45Å; E517-R519 PolarHBondContact O-N 2.85Å
518	S	68.9	Low	79.2	Confident	73 Å²	73	48.3 Å²	48.3	51%	0.51	28%	0.275	S	S	.	.			trans	-78	114.3	171.5	-57.3	0	0	0	0	109.4	L535	S518-L535 CarbonylContact C-O 3.41Å; S518-L535 WeakPolarHBondContact CA-O 3.33Å
519	R	71.6	Confident	79.2	Confident	74 Å²	74	48.5 Å²	48.5	28%	0.279	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118	179.3	-71.8	-179	169.7	173.9	-4.4	110.7	E512 E517 V521 V534 L535	E512-R519 PolarHBondContact O-NH1 3.29Å; E517-R519 PolarHBondContact O-N 2.85Å; R519-V521 HydrophobicContact CB-CG2 4.01Å; R519-V521 PolarHBondContact O-N 3.06Å; R519-V534 WeakPolarHBondContact O-CA 3.33Å; R519-L535 PolarHBondContact N-O 3.15Å; R519-L535 PolarHBondContact O-N 3.26Å
520	S	78.5	Confident	79.5	Confident	102 Å²	102	50.7 Å²	50.7	71%	0.713	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	111.1	162.2	-64.5	0	0	0	0	108.8	L533	S520-L533 CarbonylContact C-O 3.59Å; S520-L533 WeakPolarHBondContact CA-O 3.35Å
521	V	80.3	Confident	79.8	Confident	39 Å²	39	50.7 Å²	50.7	24%	0.236	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.4	-177	-177.9	0	0	0	0	109.4	R519 L523 L533 L535	R519-V521 HydrophobicContact CB-CG2 4.01Å; R519-V521 PolarHBondContact O-N 3.06Å; V521-L523 HydrophobicContact CG1-CB 4.23Å; V521-L523 HydrophobicContact CG1-CD1 4.35Å; V521-L523 PolarHBondContact O-N 2.9Å; V521-L533 PolarHBondContact N-O 3Å; V521-L533 PolarHBondContact O-N 2.93Å; V521-L535 HydrophobicContact CB-CD1 4.46Å; V521-L535 HydrophobicContact CG2-CD1 4.05Å; V521-L535 HydrophobicContact CG2-CG 4.44Å
522	M	86.3	Confident	80.5	Confident	104 Å²	104	51.1 Å²	51.1	51%	0.512	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	89.6	163.7	180	-174.7	63.6	0	0	107.7	P524 K530 F532	M522-P524 VanDerWaalsContact O-CD 3.3Å; M522-P524 WeakPolarHBondContact O-CD 3.3Å; M522-K530 HydrophobicContact CG-CB 4.38Å; M522-K530 HydrophobicContact CG-CD 3.92Å; M522-K530 HydrophobicContact CG-CG 4.27Å; M522-K530 HydrophobicContact SD-CD 3.64Å; M522-K530 PolarHBondContact SD-NZ 2.92Å; M522-F532 HydrophobicContact CB-CD1 4.49Å; M522-F532 HydrophobicContact CG-CD1 4.29Å; M522-F532 HydrophobicContact CG-CE1 3.98Å; M522-F532 HydrophobicContact SD-CE1 4.38Å
523	L	89	Confident	81.2	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.052	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	114	-174.4	-170.1	66.6	0	0	0	109.7	V463 N506 V508 V521 M525 K530 V531 L533	V463-L523 HydrophobicContact CB-CD2 4Å; V463-L523 HydrophobicContact CG1-CD2 4.37Å; V463-L523 HydrophobicContact CG2-CD2 3.76Å; N506-L523 HydrophobicContact CB-CD2 4.1Å; N506-L523 HydrophobicContact CB-CG 4.21Å; N506-L523 WeakPolarHBondContact ND2-CD1 3.4Å; V508-L523 HydrophobicContact CG2-CD1 3.6Å; V508-L523 HydrophobicContact CG2-CD2 4.03Å; V521-L523 HydrophobicContact CG1-CB 4.23Å; V521-L523 HydrophobicContact CG1-CD1 4.35Å; V521-L523 PolarHBondContact O-N 2.9Å; L523-M525 HydrophobicContact CD2-SD 4.2Å; L523-M525 HydrophobicContact CG-SD 4.32Å; L523-K530 WeakPolarHBondContact O-CA 3.17Å; L523-V531 PolarHBondContact N-O 2.79Å; L523-V531 PolarHBondContact O-N 2.78Å; L523-L533 HydrophobicContact CD2-CD1 4.11Å
524	P	91	Very high	81.9	Confident	79 Å²	79	47.6 Å²	47.6	51%	0.513	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	134.4	174.1	29.8	-33.9	0	0	0	109.1	N506 M522	N506-P524 PolarHBondContact ND2-O 2.98Å; M522-P524 VanDerWaalsContact O-CD 3.3Å; M522-P524 WeakPolarHBondContact O-CD 3.3Å
525	M	93.4	Very high	83	Confident	7 Å²	7	47 Å²	47	3%	0.034	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-99.1	154	-177	-57	-59.5	-71.7	0	0	111.8	I383 V463 V465 A504 N506 L523 P527 M528 G529 V531	I383-M525 HydrophobicContact CD1-CB 4.43Å; I383-M525 HydrophobicContact CD1-CG 4.11Å; V463-M525 HydrophobicContact CG1-CE 4.24Å; V465-M525 HydrophobicContact CG2-CE 4.22Å; A504-M525 HydrophobicContact CB-CB 3.77Å; A504-M525 HydrophobicContact CB-CE 4Å; A504-M525 HydrophobicContact CB-CG 4.27Å; N506-M525 HydrophobicContact CB-CE 4.31Å; N506-M525 HydrophobicContact CB-SD 3.98Å; L523-M525 HydrophobicContact CD2-SD 4.2Å; L523-M525 HydrophobicContact CG-SD 4.32Å; M525-P527 CarbonylContact O-C 3.49Å; M525-P527 VanDerWaalsContact O-C 3.3Å; M525-M528 CarbonylContact O-C 3.45Å; M525-M528 WeakPolarHBondContact O-CA 3.35Å; M525-M528 PolarHBondContact O-N 2.93Å; M525-M528 VanDerWaalsContact O-N 3.12Å; M525-G529 PolarHBondContact N-O 3.2Å; M525-V531 HydrophobicContact CE-CG2 4.01Å; M525-V531 HydrophobicContact CG-CB 4.36Å; M525-V531 HydrophobicContact CG-CG2 3.71Å; M525-V531 HydrophobicContact SD-CB 3.94Å; M525-V531 HydrophobicContact SD-CG2 3.58Å; M525-V531 VanDerWaalsContact SD-CG2 3.58Å
526	L	92.1	Very high	84.2	Confident	22 Å²	22	49.7 Å²	49.7	12%	0.115	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-94.4	129.2	177	-61.5	177.9	0	0	0	110.5	L261 F311 S314 A504 V505	L261-L526 HydrophobicContact CD2-CD1 3.83Å; L261-L526 HydrophobicContact CD2-CD2 4.39Å; F311-L526 HydrophobicContact CD1-CD1 4.07Å; F311-L526 HydrophobicContact CE1-CD1 4.04Å; S314-L526 WeakPolarHBondContact OG-CB 3.13Å; A504-L526 WeakPolarHBondContact CA-O 3.48Å; V505-L526 HydrophobicContact CG1-CB 4.38Å; V505-L526 PolarHBondContact N-O 3.31Å; V505-L526 WeakPolarHBondContact O-CB 3.4Å; V505-L526 PolarHBondContact O-N 3.11Å
527	P	89.4	Confident	85.6	Confident	38 Å²	38	47.8 Å²	47.8	25%	0.247	26%	0.258	C	S	.	.	S	Bend	cis	-82.1	-18.4	-2.8	34.7	-38.4	0	0	0	114.5	L310 E313 S314 V384 M525	L310-P527 HydrophobicContact CD2-CG 4.46Å; E313-P527 HydrophobicContact CB-CB 4.09Å; E313-P527 HydrophobicContact CB-CG 4.19Å; S314-P527 VanDerWaalsContact OG-CA 3.24Å; S314-P527 WeakPolarHBondContact OG-CA 3.37Å; V384-P527 HydrophobicContact CG2-CG 3.54Å; M525-P527 CarbonylContact O-C 3.49Å; M525-P527 VanDerWaalsContact O-C 3.3Å
528	M	90	Very high	86.3	Confident	96 Å²	96	43.8 Å²	43.8	47%	0.473	24%	0.243	S	C	.	.	S	Bend	trans	-150	168.7	179.8	68.2	-177.4	74.6	0	0	112	V384 M525	V384-M528 HydrophobicContact CG2-CE 4.33Å; V384-M528 HydrophobicContact CG2-CG 3.6Å; V384-M528 HydrophobicContact CG2-SD 4.19Å; M525-M528 CarbonylContact O-C 3.45Å; M525-M528 WeakPolarHBondContact O-CA 3.35Å; M525-M528 PolarHBondContact O-N 2.93Å; M525-M528 VanDerWaalsContact O-N 3.12Å
529	G	89.3	Confident	86.2	Confident	13 Å²	13	44.8 Å²	44.8	13%	0.134	24%	0.243	C	C	.	.			trans	95.5	-178.1	179.7	0	0	0	0	0	113.5	Q381 D382 M525	Q381-G529 CarbonylContact O-C 3.03Å; Q381-G529 VanDerWaalsContact O-CA 3.23Å; Q381-G529 WeakPolarHBondContact O-CA 3.38Å; D382-G529 VanDerWaalsContact C-CA 3.43Å; D382-G529 WeakPolarHBondContact O-CA 3.36Å; D382-G529 PolarHBondContact O-N 3.3Å; M525-G529 PolarHBondContact N-O 3.2Å
530	K	92.1	Very high	86.1	Confident	79 Å²	79	43.6 Å²	43.6	34%	0.343	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	142.4	-174.8	-66.6	169.8	174.9	-177.7	0	110.4	C380 Q381 M522 L523	C380-K530 CarbonylContact C-O 3.44Å; C380-K530 VanDerWaalsContact CA-O 3.24Å; C380-K530 WeakPolarHBondContact CA-O 3.46Å; Q381-K530 PolarHBondContact N-O 2.89Å; Q381-K530 PolarHBondContact O-N 2.97Å; M522-K530 HydrophobicContact CG-CB 4.38Å; M522-K530 HydrophobicContact CG-CD 3.92Å; M522-K530 HydrophobicContact CG-CG 4.27Å; M522-K530 HydrophobicContact SD-CD 3.64Å; M522-K530 PolarHBondContact SD-NZ 2.92Å; L523-K530 WeakPolarHBondContact O-CA 3.17Å
531	V	92.8	Very high	85.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.8	166.8	175	0	0	0	0	108.6	C380 V463 V465 L523 M525 L533	C380-V531 HydrophobicContact CB-CG2 4.06Å; V463-V531 HydrophobicContact CG1-CG1 4.39Å; V465-V531 HydrophobicContact CG2-CG2 3.56Å; L523-V531 PolarHBondContact N-O 2.79Å; L523-V531 PolarHBondContact O-N 2.78Å; M525-V531 HydrophobicContact CE-CG2 4.01Å; M525-V531 HydrophobicContact CG-CB 4.36Å; M525-V531 HydrophobicContact CG-CG2 3.71Å; M525-V531 HydrophobicContact SD-CB 3.94Å; M525-V531 HydrophobicContact SD-CG2 3.58Å; M525-V531 VanDerWaalsContact SD-CG2 3.58Å; V531-L533 HydrophobicContact CG1-CD2 3.67Å; V531-L533 HydrophobicContact CG1-CG 3.95Å
532	F	92.7	Very high	84.3	Confident	39 Å²	39	43.8 Å²	43.8	17%	0.171	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	113.8	-179.2	-58.6	-84.7	0	0	0	109.3	L378 G379 Q381 Q444 M522	L378-F532 HydrophobicContact CB-CB 3.97Å; L378-F532 WeakPolarHBondContact CB-O 3.44Å; L378-F532 HydrophobicContact CD1-CB 4.2Å; L378-F532 PolarHBondContact N-O 3.31Å; G379-F532 PolarHBondContact O-N 3.41Å; Q381-F532 HydrophobicContact CB-CE2 4.05Å; Q444-F532 HydrophobicContact CB-CD2 4.35Å; Q444-F532 HydrophobicContact CB-CE2 4.1Å; Q444-F532 HydrophobicContact CG-CE2 3.84Å; Q444-F532 HydrophobicContact CG-CZ 4.17Å; M522-F532 HydrophobicContact CB-CD1 4.49Å; M522-F532 HydrophobicContact CG-CD1 4.29Å; M522-F532 HydrophobicContact CG-CE1 3.98Å; M522-F532 HydrophobicContact SD-CE1 4.38Å
533	L	92	Very high	82.6	Confident	2 Å²	2	40 Å²	40	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	151	-179.4	-56.6	178.1	0	0	0	110.3	V375 R376 C377 V463 S520 V521 L523 V531 L535	V375-L533 HydrophobicContact CG1-CD2 4.38Å; R376-L533 CarbonylContact O-C 3.53Å; R376-L533 WeakPolarHBondContact O-CA 3.42Å; C377-L533 HydrophobicContact CB-CD2 3.95Å; V463-L533 HydrophobicContact CG2-CD1 4.06Å; S520-L533 CarbonylContact C-O 3.59Å; S520-L533 WeakPolarHBondContact CA-O 3.35Å; V521-L533 PolarHBondContact N-O 3Å; V521-L533 PolarHBondContact O-N 2.93Å; L523-L533 HydrophobicContact CD2-CD1 4.11Å; V531-L533 HydrophobicContact CG1-CD2 3.67Å; V531-L533 HydrophobicContact CG1-CG 3.95Å; L533-L535 HydrophobicContact CB-CD2 4.25Å; L533-L535 HydrophobicContact CB-CG 4.29Å; L533-L535 HydrophobicContact CD1-CD2 4.36Å
534	V	89.5	Confident	80.2	Confident	32 Å²	32	48.4 Å²	48.4	19%	0.194	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.1	157.4	-169.1	0	0	0	0	107.5	V375 R376 L378 R519	V375-V534 WeakPolarHBondContact CA-O 3.18Å; R376-V534 HydrophobicContact CB-CB 4.12Å; R376-V534 PolarHBondContact N-O 3.15Å; R376-V534 PolarHBondContact O-N 2.85Å; L378-V534 HydrophobicContact CD1-CG2 4.28Å; R519-V534 WeakPolarHBondContact O-CA 3.33Å
535	L	89.5	Confident	77.3	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.5	-176.8	-58.3	177.9	0	0	0	109.4	E374 V375 L461 L513 S518 R519 V521 L533	E374-L535 WeakPolarHBondContact O-CA 3.49Å; V375-L535 HydrophobicContact CB-CD2 4.13Å; V375-L535 HydrophobicContact CG1-CD2 3.76Å; V375-L535 HydrophobicContact CG2-CD2 3.73Å; L461-L535 HydrophobicContact CD2-CD2 4.19Å; L513-L535 HydrophobicContact CD1-CD1 4.09Å; L513-L535 HydrophobicContact CD2-CB 4.3Å; L513-L535 HydrophobicContact CD2-CD1 3.79Å; S518-L535 CarbonylContact C-O 3.41Å; S518-L535 WeakPolarHBondContact CA-O 3.33Å; R519-L535 PolarHBondContact N-O 3.15Å; R519-L535 PolarHBondContact O-N 3.26Å; V521-L535 HydrophobicContact CB-CD1 4.46Å; V521-L535 HydrophobicContact CG2-CD1 4.05Å; V521-L535 HydrophobicContact CG2-CG 4.44Å; L533-L535 HydrophobicContact CB-CD2 4.25Å; L533-L535 HydrophobicContact CB-CG 4.29Å; L533-L535 HydrophobicContact CD1-CD2 4.36Å
536	K	84.9	Confident	74.4	Confident	74 Å²	74	55 Å²	55	32%	0.322	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	113	172.4	179.5	-167.7	177.5	-174.3	0	108.8	E374	E374-K536 HydrophobicContact CB-CB 4.22Å; E374-K536 PolarHBondContact N-O 2.99Å; E374-K536 PolarHBondContact O-N 2.84Å
537	F	83.1	Confident	71.3	Confident	3 Å²	3	58.6 Å²	58.6	1%	0.013	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112.4	175.9	-153.8	-61.1	0	0	0	109.1	I369 L373 I455 L510 L513 P540	I369-F537 HydrophobicContact CB-CZ 4.5Å; I369-F537 HydrophobicContact CG2-CE1 3.97Å; I369-F537 HydrophobicContact CG2-CE2 4.31Å; I369-F537 HydrophobicContact CG2-CZ 3.59Å; L373-F537 HydrophobicContact CB-CD2 4.22Å; L373-F537 HydrophobicContact CB-CE2 4.28Å; L373-F537 HydrophobicContact CD1-CB 4.44Å; L373-F537 HydrophobicContact CD1-CD2 3.97Å; I455-F537 HydrophobicContact CD1-CE2 4.05Å; I455-F537 HydrophobicContact CD1-CZ 4.41Å; L510-F537 HydrophobicContact CB-CE2 4.24Å; L510-F537 HydrophobicContact CD1-CE2 4.48Å; L510-F537 HydrophobicContact CD2-CE2 4.23Å; L513-F537 HydrophobicContact CB-CB 4.11Å; L513-F537 HydrophobicContact CB-CD2 4.16Å; L513-F537 HydrophobicContact CD1-CD2 4.41Å; F537-P540 HydrophobicContact CD1-CB 3.66Å; F537-P540 HydrophobicContact CD1-CG 4.28Å; F537-P540 HydrophobicContact CE1-CB 3.72Å
538	S	76.5	Confident	68.5	Low	30 Å²	30	59.7 Å²	59.7	21%	0.21	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.2	178.7	-46.1	0	0	0	0	109.9	S372 P540	S372-S538 PolarHBondContact N-O 3.12Å; S372-S538 PolarHBondContact O-N 2.59Å; S538-P540 VanDerWaalsContact C-CD 3.44Å
539	D	66.1	Low	65.6	Low	95 Å²	95	61.5 Å²	61.5	51%	0.508	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.3	50.8	178.7	-45.4	-45.2	0	0	0	115.4	T118 G371 L541	T118-D539 WeakPolarHBondContact CG2-OD1 3.08Å; G371-D539 WeakPolarHBondContact CA-O 3.41Å; D539-L541 PolarHBondContact O-N 2.7Å; D539-L541 VanDerWaalsContact O-N 3.11Å
540	P	69.2	Low	62.9	Low	48 Å²	48	69.7 Å²	69.7	31%	0.312	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	107.7	179.9	28	-33.5	0	0	0	112.9	I369 T370 L514 F537 S538	I369-P540 HydrophobicContact CG2-CB 4.32Å; T370-P540 CarbonylContact O-C 3.5Å; T370-P540 WeakPolarHBondContact O-CA 3.25Å; L514-P540 HydrophobicContact CD2-CB 3.37Å; L514-P540 HydrophobicContact CD2-CG 4.09Å; F537-P540 HydrophobicContact CD1-CB 3.66Å; F537-P540 HydrophobicContact CD1-CG 4.28Å; F537-P540 HydrophobicContact CE1-CB 3.72Å; S538-P540 VanDerWaalsContact C-CD 3.44Å
541	L	59.4	Low	59.9	Low	65 Å²	65	73 Å²	73	34%	0.34	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	109.8	167.9	-62.8	174	0	0	0	109.5	R114 T370 D539 S543	R114-L541 HydrophobicContact CB-CD1 4.45Å; R114-L541 HydrophobicContact CG-CD1 3.75Å; T370-L541 PolarHBondContact N-O 3.11Å; T370-L541 PolarHBondContact O-N 2.81Å; D539-L541 PolarHBondContact O-N 2.7Å; D539-L541 VanDerWaalsContact O-N 3.11Å; L541-S543 PolarHBondContact O-N 2.87Å
542	L	63	Low	57	Low	81 Å²	81	81.6 Å²	81.6	42%	0.424	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	108.1	164.8	-72.6	174.7	0	0	0	108.2	F198 T367 I369 L514 K544	F198-L542 HydrophobicContact CD2-CD1 4.19Å; T367-L542 HydrophobicContact CG2-CD2 4Å; I369-L542 HydrophobicContact CD1-CD2 4.41Å; I369-L542 HydrophobicContact CG1-CD2 4.1Å; L514-L542 HydrophobicContact CD1-CD2 3.67Å; L514-L542 HydrophobicContact CD1-CG 4.38Å; L542-K544 PolarHBondContact O-N 3Å
543	S	49.4	Very low	54.2	Low	25 Å²	25	89 Å²	89	18%	0.175	45%	0.451	C	S	.	.			trans	-69.7	111.5	-178.3	79.4	0	0	0	0	108.5	A368 R457 L541	A368-S543 WeakPolarHBondContact O-CB 3.37Å; A368-S543 PolarHBondContact O-N 3.02Å; A368-S543 PolarHBondContact O-OG 2.78Å; R457-S543 PolarHBondContact NE-OG 3.37Å; R457-S543 VanDerWaalsContact NE-OG 3.15Å; L541-S543 PolarHBondContact O-N 2.87Å
544	K	38.7	Very low	51.5	Low	185 Å²	185	95.9 Å²	95.9	80%	0.804	48%	0.476	S	S	*	.			trans	-48	139.5	164.7	-74.9	-179.7	179.5	173.5	0	107.1	L542 R546	L542-K544 PolarHBondContact O-N 3Å; K544-R546 PolarHBondContact O-N 3.03Å
545	P	30.9	Very low	49.3	Very low	69 Å²	69	100.4 Å²	100.4	45%	0.448	50%	0.499	S	S	.	.			trans	-66.9	84.8	174.2	27.9	-33.8	0	0	0	109	C547	P545-C547 VanDerWaalsContact C-N 3.31Å; P545-C547 PolarHBondContact O-N 2.75Å
546	R	32.7	Very low	46.6	Very low	155 Å²	155	103.2 Å²	103.2	59%	0.585	51%	0.511	S	S	*	.			trans	-56.2	109	150.4	-78.5	-165.8	-171.1	155.3	10.6	103.9	Y44 K544 G548	Y44-R546 PolarHBondContact OH-NH2 2.83Å; K544-R546 PolarHBondContact O-N 3.03Å; R546-G548 PolarHBondContact O-N 2.67Å
547	C	26.9	Very low	44.6	Very low	99 Å²	99	103.8 Å²	103.8	67%	0.669	52%	0.524	S	S	*	.			trans	-64.5	72.8	169.8	-65.5	0	0	0	0	108.5	P545 L549	P545-C547 VanDerWaalsContact C-N 3.31Å; P545-C547 PolarHBondContact O-N 2.75Å; C547-L549 PolarHBondContact O-N 2.95Å
548	G	29.8	Very low	42.6	Very low	60 Å²	60	112.2 Å²	112.2	62%	0.619	56%	0.561	S	S	*	*			trans	-68.5	74	164.3	0	0	0	0	0	108.2	R546 H550	R546-G548 PolarHBondContact O-N 2.67Å; G548-H550 PolarHBondContact O-N 2.79Å
549	L	30	Very low	41.1	Very low	135 Å²	135	120.5 Å²	120.5	71%	0.707	59%	0.588	S	S	*	*			trans	-62.3	80.1	141.9	-89.6	99	0	0	0	106.8	C547 R551	C547-L549 PolarHBondContact O-N 2.95Å; L549-R551 HydrophobicContact CD2-CG 4.04Å; L549-R551 PolarHBondContact O-N 2.9Å
550	H	32	Very low	40.1	Very low	184 Å²	184	122 Å²	122	85%	0.852	59%	0.589	S	S	*	*			trans	-55.3	81.9	131.1	-102	96	0	0	0	106	G548 Q552	G548-H550 PolarHBondContact O-N 2.79Å; H550-Q552 PolarHBondContact O-N 3.44Å
551	R	29.7	Very low	38.8	Very low	149 Å²	149	121.3 Å²	121.3	56%	0.562	59%	0.591	S	S	*	*			trans	-55.3	106.7	151.8	-88.5	-169.8	176.5	175	7.1	103.9	L549 K553	L549-R551 HydrophobicContact CD2-CG 4.04Å; L549-R551 PolarHBondContact O-N 2.9Å; R551-K553 PolarHBondContact O-N 2.96Å
552	Q	32	Very low	38.3	Very low	181 Å²	181	125 Å²	125	85%	0.846	61%	0.611	S	S	*	*			trans	-36	120.5	145	-80.3	179.8	-33.7	0	0	105.7	H550 R554	H550-Q552 PolarHBondContact O-N 3.44Å; Q552-R554 PolarHBondContact O-N 3.3Å
553	K	33.9	Very low	37.9	Very low	195 Å²	195	127.8 Å²	127.8	85%	0.848	63%	0.626	S	S	*	*			trans	-41.7	110	-175.1	-78.7	177.6	175.8	174.8	0	107.2	R551 L555	R551-K553 PolarHBondContact O-N 2.96Å; K553-L555 PolarHBondContact O-N 2.88Å
554	R	35.4	Very low	38.5	Very low	146 Å²	146	128.1 Å²	128.1	55%	0.551	63%	0.626	S	S	*	*			trans	-64.5	99.5	173.2	-86.9	-167	176.1	174.2	1.1	104.4	Q552 F556	Q552-R554 PolarHBondContact O-N 3.3Å; R554-F556 PolarHBondContact O-N 3.48Å
555	L	42.6	Very low	39.8	Very low	126 Å²	126	119.5 Å²	119.5	66%	0.66	59%	0.589	S	S	*	*	S	Bend	trans	-55.9	-19.2	-178.1	-89.3	151.6	0	0	0	111.1	K553 L581	K553-L555 PolarHBondContact O-N 2.88Å; L555-L581 HydrophobicContact CD1-CD2 4.17Å; L555-L581 HydrophobicContact CD2-CD2 4.18Å; L555-L581 HydrophobicContact CD2-CG 4.4Å
556	F	32.9	Very low	41.5	Very low	62 Å²	62	124.6 Å²	124.6	27%	0.272	60%	0.599	S	S	.	*	S	Bend	trans	-128.6	131.9	173.4	-43.8	-58.5	0	0	0	111.8	R554 I564 W577 L581	R554-F556 PolarHBondContact O-N 3.48Å; F556-I564 HydrophobicContact CD1-CD1 3.48Å; F556-I564 VanDerWaalsContact CD1-CD1 3.48Å; F556-I564 HydrophobicContact CE1-CB 4.31Å; F556-I564 HydrophobicContact CE1-CD1 3.31Å; F556-I564 HydrophobicContact CE1-CG1 4.38Å; F556-I564 HydrophobicContact CE1-CG2 3.98Å; F556-I564 HydrophobicContact CZ-CD1 4.36Å; F556-I564 HydrophobicContact CZ-CG2 4.01Å; F556-W577 HydrophobicContact CZ-CH2 4.43Å; F556-L581 HydrophobicContact CE1-CD1 3.66Å; F556-L581 HydrophobicContact CZ-CD1 3.64Å; F556-L581 HydrophobicContact CZ-CD2 4.14Å
557	S	42.5	Very low	43.4	Very low	86 Å²	86	119.5 Å²	119.5	60%	0.601	58%	0.583	S	S	*	*			trans	-68.3	153.2	157.5	-174.4	0	0	0	0	109.3	R559 K560 G561	S557-R559 PolarHBondContact O-N 3.23Å; S557-K560 PolarHBondContact O-N 3.04Å; S557-G561 PolarHBondContact O-N 3.45Å
558	K	41.4	Very low	45	Very low	181 Å²	181	122 Å²	122	79%	0.787	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-6.1	-173.3	-91.1	-171.9	168.6	-170.6	0	115.6
559	R	44.5	Very low	46.8	Very low	204 Å²	204	124.1 Å²	124.1	77%	0.77	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	-10.2	172.8	-65.3	-176.2	179	173.9	-0.5	114.8	S557	S557-R559 PolarHBondContact O-N 3.23Å
560	K	44.4	Very low	48.6	Very low	126 Å²	126	118.8 Å²	118.8	55%	0.548	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.9	-4.5	177.2	-82.1	-174.6	174.5	176.3	0	114.1	S557 N562	S557-K560 PolarHBondContact O-N 3.04Å; K560-N562 VanDerWaalsContact C-N 3.33Å
561	G	42.9	Very low	50.4	Low	34 Å²	34	116.4 Å²	116.4	35%	0.351	55%	0.549	S	S	.	.	S	Bend	trans	-78.3	-10.2	177.3	0	0	0	0	0	115.3	S557	S557-G561 PolarHBondContact O-N 3.45Å
562	N	48.4	Very low	52.6	Low	142 Å²	142	110.9 Å²	110.9	76%	0.759	53%	0.53	S	S	*	.	S	Bend	trans	-89.8	-16.9	-174.4	-69.1	18.3	0	0	0	114	K560	K560-N562 VanDerWaalsContact C-N 3.33Å
563	N	55.9	Low	54.4	Low	139 Å²	139	107 Å²	107	74%	0.743	52%	0.515	S	S	*	.	S	Bend	trans	-114.7	14.4	-177.3	-66.3	20.1	0	0	0	112.6	P565	N563-P565 WeakPolarHBondContact O-CD 3.11Å
564	I	61.5	Low	56.1	Low	32 Å²	32	103.3 Å²	103.3	16%	0.164	50%	0.504	C	S	.	.	S	Bend	trans	-111.2	101.2	178.3	-68.7	176.7	0	0	0	106.3	F556 R566 L586	F556-I564 HydrophobicContact CD1-CD1 3.48Å; F556-I564 VanDerWaalsContact CD1-CD1 3.48Å; F556-I564 HydrophobicContact CE1-CB 4.31Å; F556-I564 HydrophobicContact CE1-CD1 3.31Å; F556-I564 HydrophobicContact CE1-CG1 4.38Å; F556-I564 HydrophobicContact CE1-CG2 3.98Å; F556-I564 HydrophobicContact CZ-CD1 4.36Å; F556-I564 HydrophobicContact CZ-CG2 4.01Å; I564-R566 PolarHBondContact O-N 2.64Å; I564-L586 HydrophobicContact CG2-CB 4.29Å; I564-L586 HydrophobicContact CG2-CD1 4.14Å
565	P	66.3	Low	57.9	Low	4 Å²	4	100.7 Å²	100.7	3%	0.026	51%	0.506	C	S	.	.			trans	-62.9	135	-168.3	20.7	-29.7	0	0	0	110.6	N563 E569 L570 W577 W598	N563-P565 WeakPolarHBondContact O-CD 3.11Å; P565-E569 WeakPolarHBondContact CA-OE2 3.12Å; P565-E569 HydrophobicContact CB-CB 4.14Å; P565-L570 HydrophobicContact CB-CD1 4.08Å; P565-L570 HydrophobicContact CB-CD2 4.07Å; P565-L570 HydrophobicContact CB-CG 3.82Å; P565-L570 HydrophobicContact CG-CD1 3.92Å; P565-L570 HydrophobicContact CG-CD2 3.77Å; P565-L570 HydrophobicContact CG-CG 3.93Å; P565-L570 VanDerWaalsContact O-CD1 3.27Å; P565-L570 WeakPolarHBondContact O-CD1 3.23Å; P565-W577 PolarHBondContact O-NE1 3.06Å; P565-W577 VanDerWaalsContact O-NE1 3.11Å; P565-W598 HydrophobicContact CB-CH2 3.59Å; P565-W598 HydrophobicContact CB-CZ2 3.42Å; P565-W598 VanDerWaalsContact CB-CZ2 3.42Å; P565-W598 HydrophobicContact CB-CZ3 4.42Å; P565-W598 HydrophobicContact CG-CE3 4.43Å; P565-W598 HydrophobicContact CG-CH2 3.57Å; P565-W598 HydrophobicContact CG-CZ2 3.79Å; P565-W598 HydrophobicContact CG-CZ3 3.92Å
566	R	66.7	Low	59.3	Low	176 Å²	176	97.6 Å²	97.6	66%	0.664	49%	0.49	S	S	*	.			trans	-68.7	160.4	-174.4	-61.4	-128.8	-98.8	-172.1	-6.8	109.3	I564 N568 E569 L570	I564-R566 PolarHBondContact O-N 2.64Å; R566-N568 PolarHBondContact O-N 3.03Å; R566-N568 VanDerWaalsContact O-N 3.15Å; R566-E569 HydrophobicContact CB-CG 4.13Å; R566-E569 WeakPolarHBondContact CG-OE1 3.1Å; R566-E569 PolarHBondContact N-OE2 3.02Å; R566-E569 WeakPolarHBondContact O-CA 3.31Å; R566-E569 WeakPolarHBondContact O-CB 3.4Å; R566-E569 PolarHBondContact O-N 3.35Å; R566-L570 PolarHBondContact O-N 3.42Å
567	I	72.3	Confident	61.7	Low	49 Å²	49	97 Å²	97	25%	0.251	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-55	-36.8	-179.4	-167.3	172.7	0	0	0	112.2	E569 L570 D571 M572 I574 W577	I567-E569 VanDerWaalsContact C-N 3.33Å; I567-E569 PolarHBondContact O-N 3.36Å; I567-L570 PolarHBondContact O-N 3.39Å; I567-D571 PolarHBondContact O-N 3.47Å; I567-M572 WeakPolarHBondContact CD1-O 3.31Å; I567-M572 WeakPolarHBondContact CG1-O 3.48Å; I567-I574 HydrophobicContact CD1-CB 4.06Å; I567-I574 HydrophobicContact CD1-CG1 3.32Å; I567-W577 HydrophobicContact CB-CG 4.23Å; I567-W577 HydrophobicContact CD1-CB 4.3Å; I567-W577 HydrophobicContact CG1-CB 4.22Å; I567-W577 HydrophobicContact CG1-CG 4.27Å
568	N	60.5	Low	62.9	Low	151 Å²	151	95 Å²	95	81%	0.807	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-72.5	-17.2	174.6	-57	23.5	0	0	0	114.4	R566	R566-N568 PolarHBondContact O-N 3.03Å; R566-N568 VanDerWaalsContact O-N 3.15Å
569	E	67.6	Low	64.5	Low	105 Å²	105	95.5 Å²	95.5	49%	0.491	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-93.7	-5.7	-179.6	-65.8	160.6	-164.3	0	0	112.1	P565 R566 I567 W598	P565-E569 WeakPolarHBondContact CA-OE2 3.12Å; P565-E569 HydrophobicContact CB-CB 4.14Å; R566-E569 HydrophobicContact CB-CG 4.13Å; R566-E569 WeakPolarHBondContact CG-OE1 3.1Å; R566-E569 PolarHBondContact N-OE2 3.02Å; R566-E569 WeakPolarHBondContact O-CA 3.31Å; R566-E569 WeakPolarHBondContact O-CB 3.4Å; R566-E569 PolarHBondContact O-N 3.35Å; I567-E569 VanDerWaalsContact C-N 3.33Å; I567-E569 PolarHBondContact O-N 3.36Å; E569-W598 PolarHBondContact O-NE1 2.68Å
570	L	67	Low	66	Low	22 Å²	22	86.8 Å²	86.8	12%	0.115	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-5.1	-173.4	-74.8	169.2	0	0	0	113.9	P565 R566 I567 M572 L586 M589 W598	P565-L570 HydrophobicContact CB-CD1 4.08Å; P565-L570 HydrophobicContact CB-CD2 4.07Å; P565-L570 HydrophobicContact CB-CG 3.82Å; P565-L570 HydrophobicContact CG-CD1 3.92Å; P565-L570 HydrophobicContact CG-CD2 3.77Å; P565-L570 HydrophobicContact CG-CG 3.93Å; P565-L570 VanDerWaalsContact O-CD1 3.27Å; P565-L570 WeakPolarHBondContact O-CD1 3.23Å; R566-L570 PolarHBondContact O-N 3.42Å; I567-L570 PolarHBondContact O-N 3.39Å; L570-M572 HydrophobicContact CB-CE 3.84Å; L570-M572 HydrophobicContact CB-CG 3.68Å; L570-M572 HydrophobicContact CB-SD 3.94Å; L570-M572 HydrophobicContact CD1-CE 4.07Å; L570-M572 HydrophobicContact CD1-CG 4.42Å; L570-M572 HydrophobicContact CD1-SD 3.76Å; L570-M572 HydrophobicContact CD2-CE 4.32Å; L570-M572 HydrophobicContact CG-CE 4.32Å; L570-M572 HydrophobicContact CG-SD 4.46Å; L570-M572 PolarHBondContact O-N 3.49Å; L570-L586 HydrophobicContact CD1-CD2 3.67Å; L570-M589 HydrophobicContact CD2-SD 3.72Å; L570-W598 HydrophobicContact CD2-CD2 4.14Å; L570-W598 HydrophobicContact CD2-CG 4.04Å
571	D	70.4	Confident	67.4	Low	135 Å²	135	82.3 Å²	82.3	72%	0.722	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.7	54.3	-177.2	-162.8	27.6	0	0	0	113.7	I567	I567-D571 PolarHBondContact O-N 3.47Å
572	M	76.3	Confident	68.8	Low	33 Å²	33	89.1 Å²	89.1	16%	0.163	44%	0.437	C	S	.	.			trans	-136.8	150.7	-174.8	60.6	171.6	52.8	0	0	113.3	I567 L570 L576 W577 L580 L586 M589	I567-M572 WeakPolarHBondContact CD1-O 3.31Å; I567-M572 WeakPolarHBondContact CG1-O 3.48Å; L570-M572 HydrophobicContact CB-CE 3.84Å; L570-M572 HydrophobicContact CB-CG 3.68Å; L570-M572 HydrophobicContact CB-SD 3.94Å; L570-M572 HydrophobicContact CD1-CE 4.07Å; L570-M572 HydrophobicContact CD1-CG 4.42Å; L570-M572 HydrophobicContact CD1-SD 3.76Å; L570-M572 HydrophobicContact CD2-CE 4.32Å; L570-M572 HydrophobicContact CG-CE 4.32Å; L570-M572 HydrophobicContact CG-SD 4.46Å; L570-M572 PolarHBondContact O-N 3.49Å; M572-L576 HydrophobicContact CB-CD2 4.19Å; M572-W577 HydrophobicContact CG-CB 4.06Å; M572-W577 HydrophobicContact SD-CB 3.72Å; M572-W577 HydrophobicContact SD-CG 4.14Å; M572-L580 HydrophobicContact CE-CD1 3.38Å; M572-L580 HydrophobicContact SD-CD1 3.75Å; M572-L586 HydrophobicContact SD-CD2 4.48Å; M572-M589 HydrophobicContact CE-CE 4.4Å
573	N	69.4	Low	70.1	Confident	98 Å²	98	85.4 Å²	85.4	52%	0.524	42%	0.422	S	S	.	.			trans	-71.3	155.5	-179.8	64.9	56.5	0	0	0	113.5	P575 L576 W577	N573-P575 WeakPolarHBondContact OD1-CD 3.42Å; N573-L576 PolarHBondContact O-N 3.37Å; N573-L576 VanDerWaalsContact O-N 3.12Å; N573-L576 WeakPolarHBondContact OD1-CB 3.38Å; N573-L576 PolarHBondContact OD1-N 2.95Å; N573-W577 PolarHBondContact O-N 2.92Å
574	I	70.3	Confident	70.8	Confident	118 Å²	118	80.2 Å²	80.2	61%	0.605	40%	0.401	S	S	*	.	H	α-helix	trans	-55.3	-43.3	-176.9	-62.5	167.5	0	0	0	112.4	I567 T578	I567-I574 HydrophobicContact CD1-CB 4.06Å; I567-I574 HydrophobicContact CD1-CG1 3.32Å; I574-T578 WeakPolarHBondContact O-CB 3.25Å; I574-T578 PolarHBondContact O-N 3.14Å; I574-T578 PolarHBondContact O-OG1 3.29Å
575	P	72.8	Confident	71.2	Confident	92 Å²	92	81.6 Å²	81.6	60%	0.597	41%	0.407	S	S	*	.	H	α-helix	trans	-59.9	-44.3	175.2	-26.5	35.7	0	0	0	114	N573 T578 R579	N573-P575 WeakPolarHBondContact OD1-CD 3.42Å; P575-T578 PolarHBondContact O-N 3.16Å; P575-R579 WeakPolarHBondContact O-CB 3.26Å; P575-R579 PolarHBondContact O-N 3.45Å
576	L	71	Confident	71.4	Confident	61 Å²	61	81.5 Å²	81.5	32%	0.319	41%	0.406	S	S	.	.	H	α-helix	trans	-68.1	-47	179.5	-179.4	58.3	0	0	0	111.2	M572 N573 T578 R579 L580	M572-L576 HydrophobicContact CB-CD2 4.19Å; N573-L576 PolarHBondContact O-N 3.37Å; N573-L576 VanDerWaalsContact O-N 3.12Å; N573-L576 WeakPolarHBondContact OD1-CB 3.38Å; N573-L576 PolarHBondContact OD1-N 2.95Å; L576-T578 VanDerWaalsContact C-N 3.29Å; L576-T578 PolarHBondContact O-N 3.11Å; L576-R579 WeakPolarHBondContact O-CB 3.49Å; L576-R579 PolarHBondContact O-N 3.41Å; L576-L580 HydrophobicContact CD1-CD1 4.12Å; L576-L580 HydrophobicContact CD1-CG 4.17Å; L576-L580 HydrophobicContact CG-CD1 4.02Å; L576-L580 HydrophobicContact CG-CG 4.49Å; L576-L580 WeakPolarHBondContact O-CG 3.39Å; L576-L580 PolarHBondContact O-N 2.86Å
577	W	83.6	Confident	71.2	Confident	50 Å²	50	77.4 Å²	77.4	19%	0.189	40%	0.404	C	S	.	.	H	α-helix	trans	-56.9	-44.4	173.5	-173.2	85.7	0	0	0	111.2	F556 P565 I567 M572 N573 R579 L580 L581 L586	F556-W577 HydrophobicContact CZ-CH2 4.43Å; P565-W577 PolarHBondContact O-NE1 3.06Å; P565-W577 VanDerWaalsContact O-NE1 3.11Å; I567-W577 HydrophobicContact CB-CG 4.23Å; I567-W577 HydrophobicContact CD1-CB 4.3Å; I567-W577 HydrophobicContact CG1-CB 4.22Å; I567-W577 HydrophobicContact CG1-CG 4.27Å; M572-W577 HydrophobicContact CG-CB 4.06Å; M572-W577 HydrophobicContact SD-CB 3.72Å; M572-W577 HydrophobicContact SD-CG 4.14Å; N573-W577 PolarHBondContact O-N 2.92Å; W577-R579 VanDerWaalsContact C-N 3.32Å; W577-R579 PolarHBondContact O-N 2.86Å; W577-L580 PolarHBondContact O-N 2.88Å; W577-L581 HydrophobicContact CE3-CD2 4.25Å; W577-L581 HydrophobicContact CH2-CD2 3.69Å; W577-L581 HydrophobicContact CZ2-CD2 4.39Å; W577-L581 HydrophobicContact CZ3-CD2 3.61Å; W577-L581 WeakPolarHBondContact O-CB 3.25Å; W577-L581 PolarHBondContact O-N 2.89Å; W577-L586 HydrophobicContact CD2-CD1 4.34Å; W577-L586 HydrophobicContact CG-CD1 4.31Å; W577-L586 HydrophobicContact CZ2-CD1 4.44Å
578	T	68.5	Low	70.7	Confident	44 Å²	44	80.6 Å²	80.6	27%	0.27	42%	0.417	S	S	.	.	H	α-helix	trans	-63.8	-35.1	175.7	-59.9	0	0	0	0	112.2	I574 P575 L576 K582	I574-T578 WeakPolarHBondContact O-CB 3.25Å; I574-T578 PolarHBondContact O-N 3.14Å; I574-T578 PolarHBondContact O-OG1 3.29Å; P575-T578 PolarHBondContact O-N 3.16Å; L576-T578 VanDerWaalsContact C-N 3.29Å; L576-T578 PolarHBondContact O-N 3.11Å; T578-K582 HydrophobicContact CG2-CD 4.1Å; T578-K582 VanDerWaalsContact O-CB 3.29Å; T578-K582 WeakPolarHBondContact O-CB 3.32Å; T578-K582 WeakPolarHBondContact O-CG 3.31Å; T578-K582 PolarHBondContact O-N 3.21Å
579	R	74.7	Confident	70.9	Confident	191 Å²	191	75 Å²	75	72%	0.721	39%	0.386	S	S	*	.	H	α-helix	trans	-71.7	-44.4	176.9	-172.7	174.7	-179.6	157.7	-0.6	111.6	P575 L576 W577 L581 K582 S583	P575-R579 WeakPolarHBondContact O-CB 3.26Å; P575-R579 PolarHBondContact O-N 3.45Å; L576-R579 WeakPolarHBondContact O-CB 3.49Å; L576-R579 PolarHBondContact O-N 3.41Å; W577-R579 VanDerWaalsContact C-N 3.32Å; W577-R579 PolarHBondContact O-N 2.86Å; R579-L581 VanDerWaalsContact C-N 3.32Å; R579-K582 PolarHBondContact O-N 3.48Å; R579-S583 WeakPolarHBondContact O-CB 3.33Å; R579-S583 PolarHBondContact O-N 3.35Å; R579-S583 PolarHBondContact O-OG 3.47Å
580	L	75.5	Confident	70.3	Confident	21 Å²	21	75.4 Å²	75.4	11%	0.11	39%	0.391	C	S	.	.	H	α-helix	trans	-67.1	-33	175.8	-67.3	170.9	0	0	0	112.2	M572 L576 W577 S583 G584 Q585 L586 M589	M572-L580 HydrophobicContact CE-CD1 3.38Å; M572-L580 HydrophobicContact SD-CD1 3.75Å; L576-L580 HydrophobicContact CD1-CD1 4.12Å; L576-L580 HydrophobicContact CD1-CG 4.17Å; L576-L580 HydrophobicContact CG-CD1 4.02Å; L576-L580 HydrophobicContact CG-CG 4.49Å; L576-L580 WeakPolarHBondContact O-CG 3.39Å; L576-L580 PolarHBondContact O-N 2.86Å; W577-L580 PolarHBondContact O-N 2.88Å; L580-S583 WeakPolarHBondContact CA-OG 3.22Å; L580-S583 PolarHBondContact O-OG 3.3Å; L580-G584 PolarHBondContact O-N 3.2Å; L580-Q585 HydrophobicContact CD2-CB 3.89Å; L580-Q585 VanDerWaalsContact CD2-OE1 3.3Å; L580-Q585 PolarHBondContact O-N 2.97Å; L580-L586 HydrophobicContact CB-CD1 4.48Å; L580-L586 HydrophobicContact CB-CD2 3.63Å; L580-L586 HydrophobicContact CB-CG 3.71Å; L580-L586 HydrophobicContact CD1-CD2 4.1Å; L580-L586 PolarHBondContact O-N 3.13Å; L580-M589 HydrophobicContact CD1-CE 4.24Å
581	L	73.7	Confident	69.6	Low	31 Å²	31	82.3 Å²	82.3	16%	0.162	42%	0.416	C	S	.	.	H	α-helix	trans	-68.3	-46	171.6	-178.3	62.2	0	0	0	111.3	L555 F556 W577 R579 S583 G584 L586	L555-L581 HydrophobicContact CD1-CD2 4.17Å; L555-L581 HydrophobicContact CD2-CD2 4.18Å; L555-L581 HydrophobicContact CD2-CG 4.4Å; F556-L581 HydrophobicContact CE1-CD1 3.66Å; F556-L581 HydrophobicContact CZ-CD1 3.64Å; F556-L581 HydrophobicContact CZ-CD2 4.14Å; W577-L581 HydrophobicContact CE3-CD2 4.25Å; W577-L581 HydrophobicContact CH2-CD2 3.69Å; W577-L581 HydrophobicContact CZ2-CD2 4.39Å; W577-L581 HydrophobicContact CZ3-CD2 3.61Å; W577-L581 WeakPolarHBondContact O-CB 3.25Å; W577-L581 PolarHBondContact O-N 2.89Å; R579-L581 VanDerWaalsContact C-N 3.32Å; L581-S583 VanDerWaalsContact C-N 3.33Å; L581-S583 PolarHBondContact O-N 2.81Å; L581-G584 PolarHBondContact O-N 3.31Å; L581-L586 HydrophobicContact CB-CD1 3.85Å; L581-L586 HydrophobicContact CD1-CD1 4.27Å
582	K	72	Confident	68.3	Low	177 Å²	177	78.5 Å²	78.5	77%	0.77	40%	0.4	S	S	*	.	H	α-helix	trans	-65.7	-31.3	176.5	-78.7	173	179.8	178.2	0	113.1	T578 R579	T578-K582 HydrophobicContact CG2-CD 4.1Å; T578-K582 VanDerWaalsContact O-CB 3.29Å; T578-K582 WeakPolarHBondContact O-CB 3.32Å; T578-K582 WeakPolarHBondContact O-CG 3.31Å; T578-K582 PolarHBondContact O-N 3.21Å; R579-K582 PolarHBondContact O-N 3.48Å
583	S	75.4	Confident	66.7	Low	65 Å²	65	84.1 Å²	84.1	46%	0.455	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.9	177.1	66.3	0	0	0	0	114.1	R579 L580 L581 Q585	R579-S583 WeakPolarHBondContact O-CB 3.33Å; R579-S583 PolarHBondContact O-N 3.35Å; R579-S583 PolarHBondContact O-OG 3.47Å; L580-S583 WeakPolarHBondContact CA-OG 3.22Å; L580-S583 PolarHBondContact O-OG 3.3Å; L581-S583 VanDerWaalsContact C-N 3.33Å; L581-S583 PolarHBondContact O-N 2.81Å; S583-Q585 PolarHBondContact O-N 3.03Å; S583-Q585 WeakPolarHBondContact OG-CG 3.45Å; S583-Q585 PolarHBondContact OG-OE1 3.34Å
584	G	70.6	Confident	65.4	Low	29 Å²	29	87.3 Å²	87.3	30%	0.299	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	16	-175.8	0	0	0	0	0	114.2	L580 L581 S587	L580-G584 PolarHBondContact O-N 3.2Å; L581-G584 PolarHBondContact O-N 3.31Å; G584-S587 PolarHBondContact O-OG 3.33Å
585	Q	71.6	Confident	63.8	Low	61 Å²	61	84.5 Å²	84.5	29%	0.285	45%	0.451	S	S	.	.			trans	-78.2	-26.7	179	-76.9	179.7	-43.5	0	0	112.9	L580 S583 S587 K588 L600	L580-Q585 HydrophobicContact CD2-CB 3.89Å; L580-Q585 VanDerWaalsContact CD2-OE1 3.3Å; L580-Q585 PolarHBondContact O-N 2.97Å; S583-Q585 PolarHBondContact O-N 3.03Å; S583-Q585 WeakPolarHBondContact OG-CG 3.45Å; S583-Q585 PolarHBondContact OG-OE1 3.34Å; Q585-S587 PolarHBondContact O-N 2.82Å; Q585-K588 WeakPolarHBondContact O-CB 3.3Å; Q585-K588 PolarHBondContact O-N 2.92Å; Q585-L600 HydrophobicContact CB-CD1 4.22Å
586	L	68.8	Low	62.2	Low	3 Å²	3	81.9 Å²	81.9	2%	0.016	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-60	-30.9	173.7	-65.5	-177.1	0	0	0	112.8	I564 L570 M572 W577 L580 L581 K588 M589	I564-L586 HydrophobicContact CG2-CB 4.29Å; I564-L586 HydrophobicContact CG2-CD1 4.14Å; L570-L586 HydrophobicContact CD1-CD2 3.67Å; M572-L586 HydrophobicContact SD-CD2 4.48Å; W577-L586 HydrophobicContact CD2-CD1 4.34Å; W577-L586 HydrophobicContact CG-CD1 4.31Å; W577-L586 HydrophobicContact CZ2-CD1 4.44Å; L580-L586 HydrophobicContact CB-CD1 4.48Å; L580-L586 HydrophobicContact CB-CD2 3.63Å; L580-L586 HydrophobicContact CB-CG 3.71Å; L580-L586 HydrophobicContact CD1-CD2 4.1Å; L580-L586 PolarHBondContact O-N 3.13Å; L581-L586 HydrophobicContact CB-CD1 3.85Å; L581-L586 HydrophobicContact CD1-CD1 4.27Å; L586-K588 PolarHBondContact O-N 3.03Å; L586-M589 HydrophobicContact CD2-CE 4.49Å; L586-M589 HydrophobicContact CD2-SD 3.77Å
587	S	63	Low	60.8	Low	89 Å²	89	80.9 Å²	80.9	62%	0.622	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-78.3	2.6	173.8	42.1	0	0	0	0	114.7	G584 Q585	G584-S587 PolarHBondContact O-OG 3.33Å; Q585-S587 PolarHBondContact O-N 2.82Å
588	K	62.5	Low	59.4	Low	117 Å²	117	81.9 Å²	81.9	51%	0.509	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-112.6	4.3	175.4	-61.6	-171.9	178.7	-170.4	0	113.1	Q585 L586 L600	Q585-K588 WeakPolarHBondContact O-CB 3.3Å; Q585-K588 PolarHBondContact O-N 2.92Å; L586-K588 PolarHBondContact O-N 3.03Å; K588-L600 HydrophobicContact CB-CD1 3.87Å
589	M	63.1	Low	58.6	Low	34 Å²	34	82.8 Å²	82.8	17%	0.167	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.7	178.7	-73	177.8	155.2	0	0	110.1	L570 M572 L580 L586 W598 T599 L600	L570-M589 HydrophobicContact CD2-SD 3.72Å; M572-M589 HydrophobicContact CE-CE 4.4Å; L580-M589 HydrophobicContact CD1-CE 4.24Å; L586-M589 HydrophobicContact CD2-CE 4.49Å; L586-M589 HydrophobicContact CD2-SD 3.77Å; M589-W598 HydrophobicContact CB-CE3 3.82Å; M589-W598 HydrophobicContact CB-CZ3 4.28Å; M589-T599 WeakPolarHBondContact CA-O 3.49Å; M589-L600 HydrophobicContact CG-CD1 4.17Å
590	N	56.9	Low	57.4	Low	112 Å²	112	76.6 Å²	76.6	60%	0.599	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.4	171.2	-101.9	-3.8	0	0	0	110.1	T599	N590-T599 PolarHBondContact N-O 2.8Å; N590-T599 VanDerWaalsContact N-O 3.14Å; N590-T599 PolarHBondContact O-N 2.76Å; N590-T599 PolarHBondContact O-OG1 2.86Å
591	R	51.5	Low	55.9	Low	167 Å²	167	81 Å²	81	63%	0.63	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.6	175	-166	178.9	-169	-139.6	4.6	109.3	G596 W598	R591-G596 PolarHBondContact NE-O 2.85Å; R591-W598 HydrophobicContact CB-CD2 4.4Å; R591-W598 HydrophobicContact CB-CE3 4.05Å; R591-W598 HydrophobicContact CB-CH2 4.19Å; R591-W598 HydrophobicContact CB-CZ3 3.96Å
592	S	43.4	Very low	54.3	Low	56 Å²	56	86.8 Å²	86.8	39%	0.392	48%	0.479	S	S	.	.			trans	-72.9	130.4	176	-179.3	0	0	0	0	111	I594 G596 S597	S592-I594 PolarHBondContact O-N 2.96Å; S592-I594 PolarHBondContact OG-N 3.45Å; S592-G596 PolarHBondContact O-N 2.81Å; S592-S597 PolarHBondContact N-O 2.88Å; S592-S597 VanDerWaalsContact N-O 3.1Å
593	V	42.8	Very low	52.4	Low	150 Å²	150	83.3 Å²	83.3	91%	0.909	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.1	176.8	-179.2	0	0	0	0	112.1
594	I	42.8	Very low	50.2	Low	166 Å²	166	90.1 Å²	90.1	85%	0.851	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-2.9	-169.1	-61.3	174.2	0	0	0	112.8	S592	S592-I594 PolarHBondContact O-N 2.96Å; S592-I594 PolarHBondContact OG-N 3.45Å
595	G	36.2	Very low	48.2	Very low	58 Å²	58	97.1 Å²	97.1	60%	0.598	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-159.3	11.3	-175.7	0	0	0	0	0	118	S597	G595-S597 PolarHBondContact O-N 2.85Å
596	G	39.4	Very low	46.3	Very low	38 Å²	38	104.3 Å²	104.3	39%	0.392	55%	0.554	S	S	.	*	S	Bend	trans	68.8	-19.3	174.5	0	0	0	0	0	116.7	R591 S592	R591-G596 PolarHBondContact NE-O 2.85Å; S592-G596 PolarHBondContact O-N 2.81Å
597	S	41.3	Very low	44.2	Very low	40 Å²	40	108 Å²	108	28%	0.28	59%	0.593	S	S	.	*			trans	-78.9	152.6	-175.5	-171.4	0	0	0	0	113.6	S592 G595	S592-S597 PolarHBondContact N-O 2.88Å; S592-S597 VanDerWaalsContact N-O 3.1Å; G595-S597 PolarHBondContact O-N 2.85Å
598	W	53.1	Low	42.7	Very low	70 Å²	70	109.7 Å²	109.7	27%	0.265	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96	135.1	-179.5	-67.9	101.2	0	0	0	111.2	P565 E569 L570 M589 R591	P565-W598 HydrophobicContact CB-CH2 3.59Å; P565-W598 HydrophobicContact CB-CZ2 3.42Å; P565-W598 VanDerWaalsContact CB-CZ2 3.42Å; P565-W598 HydrophobicContact CB-CZ3 4.42Å; P565-W598 HydrophobicContact CG-CE3 4.43Å; P565-W598 HydrophobicContact CG-CH2 3.57Å; P565-W598 HydrophobicContact CG-CZ2 3.79Å; P565-W598 HydrophobicContact CG-CZ3 3.92Å; E569-W598 PolarHBondContact O-NE1 2.68Å; L570-W598 HydrophobicContact CD2-CD2 4.14Å; L570-W598 HydrophobicContact CD2-CG 4.04Å; M589-W598 HydrophobicContact CB-CE3 3.82Å; M589-W598 HydrophobicContact CB-CZ3 4.28Å; R591-W598 HydrophobicContact CB-CD2 4.4Å; R591-W598 HydrophobicContact CB-CE3 4.05Å; R591-W598 HydrophobicContact CB-CH2 4.19Å; R591-W598 HydrophobicContact CB-CZ3 3.96Å
599	T	51.8	Low	40.9	Very low	64 Å²	64	110.4 Å²	110.4	39%	0.393	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.9	147.2	177.8	53.6	0	0	0	0	111.5	M589 N590	M589-T599 WeakPolarHBondContact CA-O 3.49Å; N590-T599 PolarHBondContact N-O 2.8Å; N590-T599 VanDerWaalsContact N-O 3.14Å; N590-T599 PolarHBondContact O-N 2.76Å; N590-T599 PolarHBondContact O-OG1 2.86Å
600	L	48.9	Very low	39.3	Very low	61 Å²	61	112 Å²	112	32%	0.319	65%	0.649	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.1	116.1	-177	-173.3	75.2	0	0	0	110.7	Q585 K588 M589 H602	Q585-L600 HydrophobicContact CB-CD1 4.22Å; K588-L600 HydrophobicContact CB-CD1 3.87Å; M589-L600 HydrophobicContact CG-CD1 4.17Å; L600-H602 PolarHBondContact O-N 2.86Å
601	N	44.5	Very low	37.9	Very low	112 Å²	112	112.3 Å²	112.3	60%	0.599	66%	0.661	S	S	*	*			trans	-76.9	112.1	176.4	-83.7	-16.9	0	0	0	111.9
602	H	40.4	Very low	37	Very low	153 Å²	153	110 Å²	110	71%	0.708	67%	0.665	S	S	*	*			trans	-88.1	119.2	166.1	-91.8	-97.3	0	0	0	111	L600	L600-H602 PolarHBondContact O-N 2.86Å
603	S	32.8	Very low	36.4	Very low	104 Å²	104	114.2 Å²	114.2	73%	0.727	68%	0.68	S	S	*	*			trans	-78.6	136.4	168	-47.4	0	0	0	0	109.5	E605	S603-E605 PolarHBondContact O-N 2.81Å
604	K	29.5	Very low	36.1	Very low	208 Å²	208	113.8 Å²	113.8	90%	0.904	67%	0.67	S	S	*	*			trans	-64.6	114.4	-170.9	-65.4	174	177	177.4	0	113.8
605	E	27.5	Very low	35.6	Very low	177 Å²	177	113.3 Å²	113.3	83%	0.827	66%	0.664	S	S	*	*	S	Bend	trans	-139.5	129.1	141.4	-79	-171.9	163.4	0	0	107.4	S603	S603-E605 PolarHBondContact O-N 2.81Å
606	F	31	Very low	35.2	Very low	211 Å²	211	112.6 Å²	112.6	93%	0.925	66%	0.657	S	S	*	*	S	Bend	trans	62.7	135.9	-171.7	-64.3	-87.8	0	0	0	116.3
607	G	25.5	Very low	34.8	Very low	82 Å²	82	118.8 Å²	118.8	85%	0.845	68%	0.68	S	S	*	*			trans	-101.3	128.5	-164.1	0	0	0	0	0	114.7
608	S	31	Very low	34	Very low	123 Å²	123	126.3 Å²	126.3	86%	0.86	71%	0.71	S	S	*	*			trans	-164.7	142.1	131.4	-166.9	0	0	0	0	108.9	G610	S608-G610 PolarHBondContact O-N 3.43Å
609	S	26.1	Very low	32.6	Very low	132 Å²	132	126.4 Å²	126.4	92%	0.923	73%	0.733	S	S	*	*			trans	-81.1	117.8	-175.1	-66.1	0	0	0	0	111.6
610	G	28.4	Very low	31.4	Very low	67 Å²	67	134.4 Å²	134.4	69%	0.691	76%	0.756	S	S	*	*			trans	-158.1	108.1	172.4	0	0	0	0	0	112	S608	S608-G610 PolarHBondContact O-N 3.43Å
611	S	28.6	Very low	30.3	Very low	119 Å²	119	140 Å²	140	83%	0.832	78%	0.778	S	S	*	*			trans	-86.2	113.6	172.1	-170.5	0	0	0	0	109.1
612	V	31.9	Very low	29.4	Very low	119 Å²	119	142.9 Å²	142.9	72%	0.721	79%	0.788	S	S	*	*			trans	-97.6	114.4	-179.8	-179.8	0	0	0	0	109.5	M614	V612-M614 HydrophobicContact CG1-SD 4.47Å
613	M	31.4	Very low	28.7	Very low	145 Å²	145	144.5 Å²	144.5	71%	0.714	80%	0.796	S	S	*	*			trans	-77.5	130.4	168.2	-68.5	-159.6	-71.4	0	0	110.1
614	M	35.6	Very low	28.5	Very low	141 Å²	141	148.1 Å²	148.1	70%	0.695	81%	0.806	S	S	*	*			trans	-97.2	91.7	173.5	-68.3	-66.2	-62.8	0	0	109.3	V612	V612-M614 HydrophobicContact CG1-SD 4.47Å
615	H	32.9	Very low	28.3	Very low	156 Å²	156	145.1 Å²	145.1	72%	0.722	80%	0.8	S	S	*	*			trans	-87.8	138.7	163.6	-107.1	-89.4	0	0	0	109.6	L617	H615-L617 PolarHBondContact O-N 2.81Å
616	G	27.2	Very low	28.4	Very low	43 Å²	43	142.9 Å²	142.9	44%	0.443	80%	0.798	S	S	.	*			trans	-66	127.1	169.5	0	0	0	0	0	110.5
617	L	31.1	Very low	28.3	Very low	168 Å²	168	137.8 Å²	137.8	88%	0.88	79%	0.789	S	S	*	*			trans	-139.4	127.5	166.4	-80.3	177.5	0	0	0	109.5	H615	H615-L617 PolarHBondContact O-N 2.81Å
618	E	23.9	Very low	28.6	Very low	198 Å²	198	141 Å²	141	93%	0.925	79%	0.786	S	S	*	*			trans	-71.5	138	171.5	-62	172	109	0	0	110.7
619	G	25	Very low	28.7	Very low	71 Å²	71	140.4 Å²	140.4	73%	0.732	78%	0.782	S	S	*	*	S	Bend	trans	84.6	128.1	152.8	0	0	0	0	0	119.3
620	R	25.5	Very low	29	Very low	232 Å²	232	137.3 Å²	137.3	88%	0.875	77%	0.771	S	S	*	*			trans	73	166	156.5	-65.7	-178.1	169.2	171.7	-2.4	118.9
621	F	26.8	Very low	29.2	Very low	178 Å²	178	140.1 Å²	140.1	78%	0.781	78%	0.78	S	S	*	*			trans	71.5	100.7	-179.4	-61.9	-82.6	0	0	0	114.9
622	Q	26.1	Very low	29.6	Very low	174 Å²	174	140.1 Å²	140.1	81%	0.813	78%	0.777	S	S	*	*				65.1	130.1	65.2	-69	-171.6	-30.9	0	0	114.8
623	Q	25.6	Very low	29.6	Very low	186 Å²	186	140.5 Å²	140.5	87%	0.869	78%	0.779	S	S	*	*			trans	-2.4	130.4	160.1	-61.1	172.3	-10.1	0	0	117.4
624	L	28.3	Very low	29.5	Very low	180 Å²	180	137.7 Å²	137.7	94%	0.942	77%	0.774	S	S	*	*			trans	-149.8	129.7	133.8	-106	168.5	0	0	0	110
625	N	24.5	Very low	29.5	Very low	146 Å²	146	137.1 Å²	137.1	78%	0.781	77%	0.774	S	S	*	*			trans	-107.1	-176.5	-177.5	-128.1	-9.4	0	0	0	109.1
626	T	29.1	Very low	29.4	Very low	129 Å²	129	137.6 Å²	137.6	79%	0.791	78%	0.776	S	S	*	*			trans	78.7	146.1	170.9	81.8	0	0	0	0	115.2
627	S	30.3	Very low	29.7	Very low	104 Å²	104	139.3 Å²	139.3	73%	0.727	79%	0.786	S	S	*	*			cis	-136.5	-169.2	9.6	-58.2	0	0	0	0	110.3
628	L	31.7	Very low	29.8	Very low	149 Å²	149	140 Å²	140	78%	0.78	78%	0.783	S	S	*	*			cis	-160.6	148.5	3.3	-143.7	160.1	0	0	0	109.5
629	S	32.1	Very low	30.1	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	78%	0.776	S	S	*	*			trans	57.6	133.6	160.2	57.5	0	0	0	0	120.8
630	G	33	Very low	30.5	Very low	67 Å²	67	138.2 Å²	138.2	69%	0.691	78%	0.782	S	S	*	*			cis	-174.9	148.8	-3.7	0	0	0	0	0	116.9
631	S	32.6	Very low	30.7	Very low	127 Å²	127	136.9 Å²	136.9	89%	0.888	78%	0.782	S	S	*	*			trans	66.9	147.5	154.2	47.2	0	0	0	0	122.7
632	P	36.3	Very low	31	Very low	119 Å²	119	133.3 Å²	133.3	77%	0.773	78%	0.779	S	S	*	*			trans	-130.3	-165.2	-159.2	41.7	-20.9	0	0	0	114
633	V	32.8	Very low	31.3	Very low	126 Å²	126	133 Å²	133	76%	0.764	78%	0.778	S	S	*	*			trans	157.1	100.9	150.3	153.5	0	0	0	0	106.1
634	S	29.7	Very low	31.4	Very low	87 Å²	87	130.4 Å²	130.4	61%	0.608	77%	0.769	S	S	*	*				70.5	106.3	67.5	74.1	0	0	0	0	114.7
635	D	34.1	Very low	31.3	Very low	128 Å²	128	129 Å²	129	68%	0.684	76%	0.762	S	S	*	*				176.7	137.7	113.6	-93.6	-31.6	0	0	0	114.5
636	Q	32.3	Very low	31.8	Very low	167 Å²	167	128.9 Å²	128.9	78%	0.78	77%	0.767	S	S	*	*				52.6	146.9	128.9	-59.4	172.9	46.1	0	0	121.1
637	A	33.2	Very low	31.5	Very low	78 Å²	78	128 Å²	128	65%	0.645	77%	0.766	S	S	*	*			cis	-168.7	157.8	-10.4	0	0	0	0	0	111.9
638	F	32.2	Very low	31.6	Very low	184 Å²	184	133 Å²	133	81%	0.807	78%	0.775	S	S	*	*			trans	64.6	120.3	144.4	-91.7	-114.6	0	0	0	124.2
639	N	31	Very low	31.4	Very low	149 Å²	149	136.6 Å²	136.6	80%	0.797	78%	0.78	S	S	*	*			trans	52.4	125.2	131.8	-74	-6.8	0	0	0	122.8
640	G	32.4	Very low	31.3	Very low	82 Å²	82	141.6 Å²	141.6	85%	0.845	78%	0.781	S	S	*	*			trans	-177.2	104.8	157.4	0	0	0	0	0	113.1
641	K	31.6	Very low	31.2	Very low	203 Å²	203	144.8 Å²	144.8	88%	0.883	78%	0.779	S	S	*	*			trans	-75.9	164.4	-173.1	-70.8	173.8	176.9	174.5	0	114.4
642	S	31.9	Very low	30.9	Very low	103 Å²	103	144 Å²	144	72%	0.72	77%	0.773	S	S	*	*			trans	86.2	109.5	140.6	54	0	0	0	0	122.5
643	H	32.1	Very low	30.9	Very low	169 Å²	169	143.7 Å²	143.7	78%	0.782	77%	0.771	S	S	*	*				76.1	118.7	125.6	-79.2	-80.4	0	0	0	123.5
644	L	28.1	Very low	31	Very low	130 Å²	130	143.3 Å²	143.3	68%	0.681	77%	0.774	S	S	*	*			trans	84.3	120.9	135.4	-75.3	157.7	0	0	0	121
645	N	26.7	Very low	31.2	Very low	151 Å²	151	142.9 Å²	142.9	81%	0.807	78%	0.776	S	S	*	*			trans	61.3	86.1	149.2	-61.7	-6.9	0	0	0	118.6
646	T	33.8	Very low	31	Very low	143 Å²	143	146.5 Å²	146.5	88%	0.877	79%	0.786	S	S	*	*			trans	-134	103.9	175.1	53.9	0	0	0	0	113.7
647	S	24.4	Very low	31.1	Very low	111 Å²	111	143.2 Å²	143.2	78%	0.776	78%	0.779	S	S	*	*			trans	-96.5	144.3	147.4	58	0	0	0	0	108.5
648	K	30.9	Very low	31.1	Very low	208 Å²	208	145.6 Å²	145.6	90%	0.904	79%	0.785	S	S	*	*			trans	-170.8	138.5	150.1	-111.1	160.3	-171.4	177.3	0	114.9
649	Y	27.9	Very low	31	Very low	225 Å²	225	148.1 Å²	148.1	88%	0.882	79%	0.79	S	S	*	*			trans	-72.6	158.7	163.5	-79.2	-114.1	0	0	0	112.1
650	R	30.2	Very low	30.9	Very low	216 Å²	216	146 Å²	146	82%	0.815	79%	0.787	S	S	*	*			trans	161.9	154.8	145	-96.1	-170.9	140.6	156.8	-0.2	110.2
651	E	30.3	Very low	30.9	Very low	135 Å²	135	147.4 Å²	147.4	63%	0.631	78%	0.779	S	S	*	*			cis	-173.6	135.1	-27.6	-122.5	169.8	-161	0	0	108
652	S	27.7	Very low	30.8	Very low	109 Å²	109	144.3 Å²	144.3	76%	0.762	77%	0.771	S	S	*	*			trans	66.6	168.4	147.2	-55	0	0	0	0	121.4
653	P	36.4	Very low	30.5	Very low	113 Å²	113	146.2 Å²	146.2	73%	0.734	77%	0.772	S	S	*	*			cis	-137	175.9	-25.3	32.2	-11.7	0	0	0	117.1
654	S	33.8	Very low	30.2	Very low	118 Å²	118	143.2 Å²	143.2	83%	0.825	77%	0.766	S	S	*	*			trans	71.7	149.2	151.2	72.9	0	0	0	0	120.4
655	A	33.5	Very low	30.1	Very low	79 Å²	79	143.6 Å²	143.6	65%	0.653	77%	0.769	S	S	*	*			cis	-167.7	136.2	-9.2	0	0	0	0	0	114.2
656	F	30	Very low	30.2	Very low	204 Å²	204	142.2 Å²	142.2	90%	0.895	77%	0.766	S	S	*	*			trans	58.4	165.2	145.9	-71.5	-77.5	0	0	0	121.5
657	P	35.8	Very low	29.9	Very low	97 Å²	97	142.1 Å²	142.1	63%	0.63	76%	0.759	S	S	*	*				-142.2	174.6	-73.9	38.9	-18.9	0	0	0	116.2
658	T	32.5	Very low	30.1	Very low	128 Å²	128	143.7 Å²	143.7	79%	0.785	76%	0.757	S	S	*	*				169.1	137.7	118.8	31.7	0	0	0	0	114.1
659	R	29.4	Very low	29.8	Very low	237 Å²	237	142.3 Å²	142.3	89%	0.894	75%	0.753	S	S	*	*			trans	42.9	136	153	-69.7	176.9	166.3	170.1	-5.5	119.4
660	S	29.4	Very low	29.8	Very low	105 Å²	105	140.4 Å²	140.4	73%	0.734	75%	0.753	S	S	*	*			cis	-176.5	170	-7.1	43.7	0	0	0	0	106.2
661	V	31.7	Very low	29.6	Very low	112 Å²	112	141.3 Å²	141.3	68%	0.679	76%	0.756	S	S	*	*			cis	-141.9	164	25.4	176.6	0	0	0	0	110.2
662	N	30.3	Very low	29.5	Very low	137 Å²	137	140.1 Å²	140.1	73%	0.733	76%	0.76	S	S	*	*			trans	-18.4	136.4	164.9	-48	-9.8	0	0	0	117.5
663	I	26.4	Very low	29.4	Very low	144 Å²	144	142 Å²	142	74%	0.738	76%	0.76	S	S	*	*			cis	80	136.2	17.7	-39.9	165.1	0	0	0	116.2
664	T	26	Very low	28.7	Very low	106 Å²	106	141.9 Å²	141.9	65%	0.65	76%	0.758	S	S	*	*			trans	77.7	132.3	152.2	35.3	0	0	0	0	122.5
665	D	25.2	Very low	28.5	Very low	137 Å²	137	142 Å²	142	73%	0.733	75%	0.753	S	S	*	*			trans	59.6	144.4	133.3	-54.1	-12.8	0	0	0	118.8
666	T	29.1	Very low	28	Very low	123 Å²	123	144.7 Å²	144.7	76%	0.755	76%	0.755	S	S	*	*				-168.3	147.5	62.5	-56	0	0	0	0	112.6
667	I	26.3	Very low	27.9	Very low	141 Å²	141	141.3 Å²	141.3	72%	0.723	75%	0.746	S	S	*	*			trans	-20.6	139.1	152.5	-59.2	152.8	0	0	0	115.3
668	I	29.7	Very low	27.4	Very low	144 Å²	144	147.4 Å²	147.4	74%	0.738	76%	0.756	S	S	*	*			trans	169.3	96.7	145.7	-87.7	149.1	0	0	0	105.7
669	Q	24.3	Very low	27.4	Very low	178 Å²	178	148.9 Å²	148.9	83%	0.832	75%	0.754	S	S	*	*				33.1	84.6	88.3	-76.2	-163.6	-4.2	0	0	116.1
670	Q	28	Very low	27.6	Very low	185 Å²	185	142.7 Å²	142.7	86%	0.864	74%	0.744	S	S	*	*			trans	-163.4	124.3	140.8	-110.5	156.7	51.4	0	0	113.6
671	R	26.7	Very low	27.5	Very low	236 Å²	236	143.9 Å²	143.9	89%	0.891	74%	0.743	S	S	*	*			trans	-58.5	153.3	152	-79.1	178.1	171.3	-179.9	-2.8	108.5
672	P	26.9	Very low	27.3	Very low	109 Å²	109	142.5 Å²	142.5	71%	0.708	74%	0.743	S	S	*	*				-158.9	173.6	78.7	42.8	-22.2	0	0	0	118.8
673	L	25.5	Very low	27.3	Very low	148 Å²	148	143.2 Å²	143.2	78%	0.775	75%	0.746	S	S	*	*			trans	58.4	117.9	152	-67.2	152.5	0	0	0	117.7
674	V	23.3	Very low	27.3	Very low	111 Å²	111	145.8 Å²	145.8	67%	0.673	75%	0.746	S	S	*	*			cis	53.4	92.5	44.6	-170.3	0	0	0	0	113.7	I676	V674-I676 HydrophobicContact CG1-CD1 3.79Å; V674-I676 HydrophobicContact CG1-CG1 4.14Å
675	T	27.7	Very low	27.4	Very low	120 Å²	120	147.9 Å²	147.9	74%	0.736	75%	0.749	S	S	*	*			trans	-168.4	97.2	145.6	-67	0	0	0	0	104.2
676	I	24.3	Very low	27.6	Very low	136 Å²	136	150 Å²	150	70%	0.697	75%	0.751	S	S	*	*				63.6	144.4	71.1	-52.5	174	0	0	0	111.3	V674	V674-I676 HydrophobicContact CG1-CD1 3.79Å; V674-I676 HydrophobicContact CG1-CG1 4.14Å
677	I	26.7	Very low	27.5	Very low	134 Å²	134	152.5 Å²	152.5	69%	0.687	76%	0.76	S	S	*	*			trans	85.7	114.7	179.2	-48.4	173.4	0	0	0	112.6
678	R	27	Very low	27.8	Very low	225 Å²	225	151.3 Å²	151.3	85%	0.849	75%	0.754	S	S	*	*			cis	-160.5	132.3	-2.7	-118	173.7	-159.2	159.4	2.4	110.1
679	E	31.4	Very low	27.7	Very low	159 Å²	159	151.1 Å²	151.1	74%	0.743	76%	0.759	S	S	*	*			trans	-62.6	162.4	140.8	-109	168.1	-164	0	0	108.9
680	P	33.2	Very low	28.1	Very low	107 Å²	107	148.4 Å²	148.4	70%	0.695	75%	0.75	S	S	*	*			cis	-148.6	154.8	47.2	40.3	-19.6	0	0	0	119
681	D	27.6	Very low	28.6	Very low	130 Å²	130	144.3 Å²	144.3	70%	0.695	74%	0.738	S	S	*	*				38.8	157.3	122.9	-48.9	-45.5	0	0	0	124.8
682	A	28	Very low	29	Very low	82 Å²	82	141 Å²	141	68%	0.678	73%	0.732	S	S	*	*			trans	84.6	100.8	138.9	0	0	0	0	0	117.6
683	L	30.3	Very low	29.7	Very low	152 Å²	152	144 Å²	144	80%	0.796	73%	0.734	S	S	*	*				172.9	116.1	90.1	-81.7	171.3	0	0	0	106.9
684	R	27.3	Very low	30.4	Very low	198 Å²	198	141.9 Å²	141.9	75%	0.747	72%	0.721	S	S	*	*				65.1	108.8	79.4	-161.5	178.8	-171.7	170.6	10.8	113.1
685	E	26.4	Very low	31.4	Very low	151 Å²	151	143.5 Å²	143.5	71%	0.706	72%	0.724	S	S	*	*			trans	38.1	109.1	145.9	-53.3	170	119.2	0	0	118.3
686	K	31.2	Very low	32.2	Very low	182 Å²	182	145.9 Å²	145.9	79%	0.791	72%	0.724	S	S	*	*				-168.7	119.3	119.6	-107	155.3	-171.1	177.6	0	113.9	I688	K686-I688 HydrophobicContact CB-CD1 4.37Å; K686-I688 HydrophobicContact CB-CG1 4.18Å; K686-I688 HydrophobicContact CD-CD1 4.35Å; K686-I688 HydrophobicContact CG-CG1 4.49Å; K686-I688 PolarHBondContact O-N 3.06Å; K686-I688 VanDerWaalsContact O-N 3.15Å
687	N	26.5	Very low	32.9	Very low	174 Å²	174	144.7 Å²	144.7	93%	0.93	72%	0.723	S	S	*	*			trans	-62	107.4	152.4	-74.6	-43.7	0	0	0	108.3
688	I	31.3	Very low	33.4	Very low	116 Å²	116	146.2 Å²	146.2	60%	0.595	73%	0.732	S	S	*	*			trans	-130.8	111.4	160.7	-61.3	177.2	0	0	0	107.6	K686 L690	K686-I688 HydrophobicContact CB-CD1 4.37Å; K686-I688 HydrophobicContact CB-CG1 4.18Å; K686-I688 HydrophobicContact CD-CD1 4.35Å; K686-I688 HydrophobicContact CG-CG1 4.49Å; K686-I688 PolarHBondContact O-N 3.06Å; K686-I688 VanDerWaalsContact O-N 3.15Å; I688-L690 HydrophobicContact CG2-CD2 4.35Å; I688-L690 HydrophobicContact CG2-CG 4.09Å; I688-L690 PolarHBondContact O-N 3.21Å
689	T	27.6	Very low	33.7	Very low	140 Å²	140	146.8 Å²	146.8	86%	0.859	73%	0.734	S	S	*	*			trans	-62.7	111.9	165.9	23.4	0	0	0	0	109.6
690	L	33	Very low	33.8	Very low	122 Å²	122	148.3 Å²	148.3	64%	0.639	74%	0.738	S	S	*	*			trans	-108.5	141	169	-73.2	166.1	0	0	0	110.1	I688 E694	I688-L690 HydrophobicContact CG2-CD2 4.35Å; I688-L690 HydrophobicContact CG2-CG 4.09Å; I688-L690 PolarHBondContact O-N 3.21Å; L690-E694 WeakPolarHBondContact CB-OE2 3.22Å; L690-E694 WeakPolarHBondContact CD1-OE2 3.05Å
691	T	38.1	Very low	33.9	Very low	99 Å²	99	153.1 Å²	153.1	61%	0.607	75%	0.748	S	S	*	*			trans	-94.5	167.4	-160	57.4	0	0	0	0	112.5	K693 E694	T691-K693 PolarHBondContact O-N 3.1Å; T691-E694 PolarHBondContact O-N 2.82Å
692	E	36.7	Very low	34.1	Very low	165 Å²	165	151.4 Å²	151.4	77%	0.771	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	-5.1	-176	-74.4	-174.4	106.3	0	0	117.1
693	K	40	Very low	34.2	Very low	173 Å²	173	155 Å²	155	75%	0.752	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-30	176.2	-82	-177.3	172.9	177.4	0	114.1	T691	T691-K693 PolarHBondContact O-N 3.1Å
694	E	40.4	Very low	34.3	Very low	104 Å²	104	154.4 Å²	154.4	49%	0.486	75%	0.75	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.8	-29.7	-172.1	-67.9	179.5	165.7	0	0	113.2	L690 T691 K696 T697	L690-E694 WeakPolarHBondContact CB-OE2 3.22Å; L690-E694 WeakPolarHBondContact CD1-OE2 3.05Å; T691-E694 PolarHBondContact O-N 2.82Å; E694-K696 PolarHBondContact O-N 3.41Å; E694-K696 VanDerWaalsContact O-N 3.13Å; E694-T697 PolarHBondContact O-N 2.99Å; E694-T697 VanDerWaalsContact O-N 3.17Å
695	I	44.2	Very low	34.4	Very low	144 Å²	144	150 Å²	150	74%	0.738	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-19.5	173.8	-64.5	174.8	0	0	0	112
696	K	44.6	Very low	34.8	Very low	171 Å²	171	148.9 Å²	148.9	74%	0.743	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-13.7	178.2	-78.1	175	176.3	165.7	0	114.8	E694	E694-K696 PolarHBondContact O-N 3.41Å; E694-K696 VanDerWaalsContact O-N 3.13Å
697	T	39.8	Very low	34.8	Very low	110 Å²	110	147 Å²	147	68%	0.675	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-27.9	-175.7	-50.7	0	0	0	0	112.9	E694 R699	E694-T697 PolarHBondContact O-N 2.99Å; E694-T697 VanDerWaalsContact O-N 3.17Å; T697-R699 VanDerWaalsContact C-N 3.26Å; T697-R699 PolarHBondContact O-N 2.74Å
698	L	37.7	Very low	35.3	Very low	167 Å²	167	146.6 Å²	146.6	87%	0.874	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	15	-175.9	-70	169.3	0	0	0	115.2
699	R	33.1	Very low	35.4	Very low	237 Å²	237	147.8 Å²	147.8	89%	0.894	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	14.4	-179.1	-110.6	179.3	179.3	175.5	-0.3	115.6	T697	T697-R699 VanDerWaalsContact C-N 3.26Å; T697-R699 PolarHBondContact O-N 2.74Å
700	K	33.6	Very low	35.8	Very low	190 Å²	190	146.8 Å²	146.8	83%	0.826	74%	0.736	S	S	*	*			trans	-146.2	97.9	173.3	-84	-170.7	174	-178.9	0	113.7
701	K	34.5	Very low	36	Very low	209 Å²	209	149.8 Å²	149.8	91%	0.909	74%	0.74	S	S	*	*			trans	169.9	118.5	143.2	-94.8	164.9	-177.6	-172.1	0	106.6
702	S	31.7	Very low	35.9	Very low	93 Å²	93	150.1 Å²	150.1	65%	0.65	75%	0.746	S	S	*	*				100.5	102.3	50.9	178.6	0	0	0	0	110.6
703	L	30.5	Very low	35.9	Very low	157 Å²	157	146.9 Å²	146.9	82%	0.822	74%	0.742	S	S	*	*				38.3	147.3	125.7	-66.8	158.9	0	0	0	121.2
704	L	31.8	Very low	35.6	Very low	141 Å²	141	145.6 Å²	145.6	74%	0.738	75%	0.749	S	S	*	*			trans	101.3	88.8	155.6	-64.7	135.6	0	0	0	118.7
705	T	30.7	Very low	35.3	Very low	104 Å²	104	145.9 Å²	145.9	64%	0.638	76%	0.762	S	S	*	*				61.8	148	105.9	65.4	0	0	0	0	123.8
706	D	33.2	Very low	35.1	Very low	129 Å²	129	143.6 Å²	143.6	69%	0.69	76%	0.757	S	S	*	*			trans	85.3	117.2	147.5	-52.8	-28.8	0	0	0	122.8
707	D	32.5	Very low	34.7	Very low	142 Å²	142	142.5 Å²	142.5	76%	0.759	75%	0.754	S	S	*	*			trans	60.8	131.1	132.1	-60.4	-16.1	0	0	0	122.8
708	I	37	Very low	34.7	Very low	166 Å²	166	145 Å²	145	85%	0.851	76%	0.758	S	S	*	*				-168.4	147.3	101.6	-92.3	154.7	0	0	0	111
709	N	33.5	Very low	34.7	Very low	141 Å²	141	140.9 Å²	140.9	75%	0.754	75%	0.748	S	S	*	*			trans	-57.3	172.6	177.9	-63.5	-50.5	0	0	0	113
710	D	36.2	Very low	34.8	Very low	119 Å²	119	134.4 Å²	134.4	64%	0.636	75%	0.745	S	S	*	*				-179.8	168.2	59.6	-140.7	-17.8	0	0	0	116.6
711	Y	37	Very low	35	Very low	185 Å²	185	129.2 Å²	129.2	73%	0.725	74%	0.738	S	S	*	*			trans	72.9	101.4	164.3	-67.5	-67.5	0	0	0	123.9
712	S	35.6	Very low	35	Very low	105 Å²	105	126 Å²	126	73%	0.734	74%	0.736	S	S	*	*				76.2	147.7	123	75.7	0	0	0	0	120.2
713	S	35.6	Very low	35.1	Very low	98 Å²	98	124.7 Å²	124.7	69%	0.685	74%	0.737	S	S	*	*			cis	-172.1	136.6	-20.5	50.4	0	0	0	0	109.4
714	T	35.3	Very low	35.3	Very low	146 Å²	146	125.9 Å²	125.9	90%	0.896	74%	0.742	S	S	*	*			trans	156.4	131.5	135.8	41.1	0	0	0	0	110.5
715	S	32.9	Very low	35.3	Very low	110 Å²	110	122 Å²	122	77%	0.769	74%	0.736	S	S	*	*			trans	-134.7	-162.7	-175.4	63.8	0	0	0	0	106.6
716	P	40.7	Very low	35.4	Very low	95 Å²	95	122.2 Å²	122.2	62%	0.617	74%	0.742	S	S	*	*			cis	-137.6	-169.7	-20	27.7	-3.3	0	0	0	112.4
717	Q	36.5	Very low	35.2	Very low	148 Å²	148	120.7 Å²	120.7	69%	0.692	74%	0.742	S	S	*	*				142.5	137.5	99.7	-121.6	171.2	22.3	0	0	118.1
718	H	38.4	Very low	35.2	Very low	162 Å²	162	123.7 Å²	123.7	75%	0.75	75%	0.748	S	S	*	*			trans	69.6	139.2	155.7	-67.2	-52.2	0	0	0	120.8
719	A	37.7	Very low	34.8	Very low	81 Å²	81	120.7 Å²	120.7	67%	0.669	74%	0.742	S	S	*	*			cis	-157.4	138.2	-9.2	0	0	0	0	0	109.6
720	A	35.2	Very low	35.1	Very low	102 Å²	102	118.7 Å²	118.7	84%	0.843	74%	0.737	S	S	*	*				67.6	145.3	101.4	0	0	0	0	0	115.9
721	A	37.9	Very low	34.8	Very low	81 Å²	81	119.5 Å²	119.5	67%	0.669	74%	0.741	S	S	*	*			cis	-158.3	157.9	17.8	0	0	0	0	0	114.4
722	T	35.7	Very low	34.7	Very low	141 Å²	141	121.9 Å²	121.9	87%	0.865	75%	0.751	S	S	*	*			trans	42.8	138.4	140.3	56.1	0	0	0	0	122.2
723	G	33.5	Very low	34.5	Very low	65 Å²	65	124 Å²	124	67%	0.67	75%	0.753	S	S	*	*			cis	159.4	170.1	-2.4	0	0	0	0	0	112.9
724	I	35.3	Very low	34.4	Very low	182 Å²	182	125.5 Å²	125.5	93%	0.933	76%	0.758	S	S	*	*			trans	49.9	130.1	150.8	-43.7	169.1	0	0	0	118.3
725	G	32	Very low	34.3	Very low	60 Å²	60	123 Å²	123	62%	0.619	75%	0.752	S	S	*	*			cis	163.3	155.8	-1.1	0	0	0	0	0	112.6
726	S	30.7	Very low	34.1	Very low	109 Å²	109	123.5 Å²	123.5	76%	0.762	75%	0.753	S	S	*	*			trans	52.9	121.5	153.7	60.5	0	0	0	0	123.2
727	S	30.2	Very low	33.7	Very low	96 Å²	96	125.7 Å²	125.7	67%	0.671	76%	0.764	S	S	*	*				103.6	149.1	119.2	72	0	0	0	0	122.5
728	F	31.5	Very low	33.2	Very low	205 Å²	205	125.6 Å²	125.6	90%	0.899	77%	0.767	S	S	*	*			trans	86.5	151.2	168.7	-65.8	-79	0	0	0	120.4
729	S	30	Very low	32.9	Very low	104 Å²	104	125 Å²	125	73%	0.727	77%	0.768	S	S	*	*			trans	-152.6	179.5	-158.8	-167.8	0	0	0	0	106.4
730	P	38.7	Very low	32.5	Very low	98 Å²	98	129.4 Å²	129.4	64%	0.636	77%	0.774	S	S	*	*				-112.4	-152.3	-60.9	35.3	-18.7	0	0	0	111
731	D	29.8	Very low	32.2	Very low	136 Å²	136	134.9 Å²	134.9	73%	0.727	78%	0.775	S	S	*	*			trans	79.9	123.5	165.4	-53.9	-23.4	0	0	0	119.2
732	Y	36.1	Very low	31.9	Very low	236 Å²	236	138.8 Å²	138.8	93%	0.925	79%	0.785	S	S	*	*				-174.1	149.6	123.7	-95.7	-61.5	0	0	0	112.1
733	D	31	Very low	31.7	Very low	148 Å²	148	137.1 Å²	137.1	79%	0.791	77%	0.774	S	S	*	*			trans	-79.3	-179.4	-170.1	-75.1	-70.4	0	0	0	117
734	V	34.2	Very low	31.7	Very low	131 Å²	131	141.3 Å²	141.3	79%	0.794	78%	0.781	S	S	*	*			trans	113.5	91.9	141.4	-168.8	0	0	0	0	118.4
735	A	31.2	Very low	31.6	Very low	93 Å²	93	136.4 Å²	136.4	77%	0.769	76%	0.763	S	S	*	*				65.6	157.2	125.1	0	0	0	0	0	122.6
736	P	30.4	Very low	31.7	Very low	121 Å²	121	140 Å²	140	79%	0.786	77%	0.768	S	S	*	*			trans	-107.5	169.5	-160.6	41.4	-34.5	0	0	0	115.2
737	V	31.7	Very low	31.7	Very low	141 Å²	141	139.6 Å²	139.6	86%	0.855	77%	0.765	S	S	*	*			trans	-127.1	128.2	170.6	176.6	0	0	0	0	111
738	I	26.8	Very low	31.9	Very low	145 Å²	145	146.5 Å²	146.5	74%	0.744	78%	0.777	S	S	*	*			trans	-90.8	150.3	168.2	-64	163	0	0	0	107.6
739	I	31.4	Very low	31.8	Very low	151 Å²	151	146.3 Å²	146.3	77%	0.774	78%	0.775	S	S	*	*			trans	-171.1	108.8	138	-94.3	147.9	0	0	0	111
740	E	30	Very low	32.4	Very low	172 Å²	172	146.8 Å²	146.8	80%	0.804	78%	0.776	S	S	*	*			trans	56.7	153.7	132.7	-50.5	-171	142.2	0	0	124.2
741	Y	27.5	Very low	32.3	Very low	218 Å²	218	147.7 Å²	147.7	86%	0.855	78%	0.782	S	S	*	*			trans	-87.7	165.7	-176.4	-73.6	-108.5	0	0	0	111.3
742	D	32.3	Very low	32.3	Very low	163 Å²	163	147.5 Å²	147.5	87%	0.872	79%	0.786	S	S	*	*			trans	-136.1	147.8	136.3	-142.3	-16.9	0	0	0	111.2
743	T	31.2	Very low	32.1	Very low	106 Å²	106	142.6 Å²	142.6	65%	0.65	78%	0.78	S	S	*	*			trans	-118.6	143.3	-172.4	46.1	0	0	0	0	110.4
744	D	34.7	Very low	32.3	Very low	152 Å²	152	141.4 Å²	141.4	81%	0.813	78%	0.781	S	S	*	*				-156.4	147.9	129.2	-126.3	-37.4	0	0	0	117.6
745	S	32.2	Very low	32.1	Very low	79 Å²	79	146.6 Å²	146.6	55%	0.552	79%	0.786	S	S	*	*			trans	-33.7	154	171.3	58.2	0	0	0	0	118.6
746	N	33.3	Very low	32.1	Very low	136 Å²	136	149 Å²	149	73%	0.727	79%	0.791	S	S	*	*				-173.6	129.1	61.7	-119.6	-49.9	0	0	0	116.3
747	S	32.1	Very low	32.1	Very low	100 Å²	100	147.6 Å²	147.6	70%	0.699	78%	0.784	S	S	*	*			trans	65.1	146.7	142.7	95.1	0	0	0	0	120
748	R	33	Very low	32	Very low	241 Å²	241	147 Å²	147	91%	0.909	78%	0.776	S	S	*	*			cis	-141	174.7	13.4	-86.1	-177.1	178.8	-177.3	-1.6	112.9
749	K	29.6	Very low	32.1	Very low	201 Å²	201	150.4 Å²	150.4	87%	0.874	78%	0.781	S	S	*	*			trans	-93.3	162.7	-159.9	-71.9	177.9	174.8	179.1	0	117.4
750	P	42.4	Very low	32	Very low	114 Å²	114	147.6 Å²	147.6	74%	0.74	78%	0.78	S	S	*	*			trans	-96.6	177.9	171.2	41	-37.1	0	0	0	113.9
751	P	37	Very low	31.9	Very low	117 Å²	117	145 Å²	145	76%	0.76	78%	0.781	S	S	*	*			trans	-135.4	142.6	140.5	33.8	-18.9	0	0	0	112.3
752	T	30.6	Very low	32.6	Very low	133 Å²	133	139.3 Å²	139.3	82%	0.816	77%	0.771	S	S	*	*				81.1	125.1	57.6	-47.4	0	0	0	0	114.4
753	V	32.3	Very low	32.5	Very low	132 Å²	132	140 Å²	140	80%	0.8	77%	0.768	S	S	*	*			trans	-75.8	156.1	-175.2	-158.5	0	0	0	0	112.4
754	P	35.5	Very low	32.7	Very low	123 Å²	123	140.9 Å²	140.9	80%	0.799	77%	0.77	S	S	*	*			trans	-131.4	156.6	140.4	36	-24.4	0	0	0	114.6
755	R	28.3	Very low	32.4	Very low	241 Å²	241	140.7 Å²	140.7	91%	0.909	77%	0.768	S	S	*	*			trans	-124.7	140	175.9	-171.2	-171.3	-163	179.6	5.6	106.4
756	V	32.5	Very low	32.4	Very low	143 Å²	143	140.8 Å²	140.8	87%	0.867	78%	0.781	S	S	*	*			trans	169.3	157.5	152.4	149.5	0	0	0	0	109.7
757	S	29.2	Very low	32.1	Very low	91 Å²	91	140 Å²	140	64%	0.636	78%	0.781	S	S	*	*			trans	-94	167	-169.5	49.3	0	0	0	0	114.4
758	D	30.7	Very low	32.1	Very low	129 Å²	129	141 Å²	141	69%	0.69	78%	0.783	S	S	*	*				169.2	135.2	114.4	-83.5	-8	0	0	0	115.8
759	Y	28.3	Very low	31.8	Very low	217 Å²	217	136.9 Å²	136.9	85%	0.851	77%	0.774	S	S	*	*			trans	26.7	140.4	151.3	-61.2	-83.6	0	0	0	127.2
760	A	28.8	Very low	31.6	Very low	92 Å²	92	134.5 Å²	134.5	76%	0.76	77%	0.768	S	S	*	*			trans	96.8	97.3	136	0	0	0	0	0	123.5
761	S	29.1	Very low	31	Very low	116 Å²	116	136.7 Å²	136.7	81%	0.811	77%	0.772	S	S	*	*				48.5	162.5	108.8	-96	0	0	0	0	123.9
762	P	41.2	Very low	30.5	Very low	100 Å²	100	136.3 Å²	136.3	65%	0.649	77%	0.772	S	S	*	*				-140.4	-155.1	-57.6	35.4	-11.1	0	0	0	112.8
763	E	30.8	Very low	30.5	Very low	176 Å²	176	137.8 Å²	137.8	82%	0.822	77%	0.773	S	S	*	*			trans	82.1	142.4	169.2	-49.5	-176.3	168.9	0	0	115.1
764	D	34.4	Very low	30.3	Very low	126 Å²	126	134.3 Å²	134.3	67%	0.674	76%	0.764	S	S	*	*			cis	-155.1	153.6	32.9	-148.4	4.7	0	0	0	117.4
765	L	29.8	Very low	30.2	Very low	148 Å²	148	137.5 Å²	137.5	78%	0.775	77%	0.768	S	S	*	*			trans	25.7	145.9	157	-74	160.6	0	0	0	126.6
766	G	31.8	Very low	30.1	Very low	80 Å²	80	135.1 Å²	135.1	83%	0.825	76%	0.764	S	S	*	*			trans	173	48.9	171	0	0	0	0	0	117.7
767	T	27.8	Very low	30	Very low	120 Å²	120	136.1 Å²	136.1	74%	0.736	77%	0.765	S	S	*	*			trans	-47.7	146.8	-173.7	-5.5	0	0	0	0	119
768	T	30.4	Very low	30.1	Very low	121 Å²	121	136.2 Å²	136.2	74%	0.742	77%	0.771	S	S	*	*				170.3	110.8	111.1	-65.1	0	0	0	0	113.7
769	E	28.3	Very low	30.2	Very low	154 Å²	154	137 Å²	137	72%	0.72	78%	0.776	S	S	*	*			trans	32.9	149.9	132.7	-54.4	-156.1	147.3	0	0	123.7
770	M	24.4	Very low	30.1	Very low	152 Å²	152	131.2 Å²	131.2	75%	0.749	77%	0.766	S	S	*	*			cis	-167.4	-179.9	-14.3	-112.6	-138.6	-71.9	0	0	112.3
771	I	30.5	Very low	29.9	Very low	159 Å²	159	137.3 Å²	137.3	82%	0.815	77%	0.77	S	S	*	*			trans	94.3	103.7	164	-47.6	-173.4	0	0	0	115.8
772	S	25.1	Very low	29.7	Very low	110 Å²	110	137.9 Å²	137.9	77%	0.769	77%	0.769	S	S	*	*			trans	-140.1	148.5	176.1	176.3	0	0	0	0	108.8
773	I	30.9	Very low	29.1	Very low	164 Å²	164	136.7 Å²	136.7	84%	0.841	77%	0.767	S	S	*	*			trans	-141.3	121.8	163	-53.6	177.4	0	0	0	103.4
774	G	29.2	Very low	28.8	Very low	58 Å²	58	135.3 Å²	135.3	60%	0.598	77%	0.765	S	S	*	*			cis	112.8	129.9	29	0	0	0	0	0	107.4
775	Q	31.7	Very low	28.6	Very low	190 Å²	190	139.5 Å²	139.5	89%	0.888	77%	0.773	S	S	*	*			cis	-146.3	170.3	6.9	-84.6	164.5	-95.5	0	0	111.5
776	K	27.8	Very low	28.7	Very low	191 Å²	191	139.1 Å²	139.1	83%	0.83	77%	0.771	S	S	*	*			trans	-74.5	164	160	-62.4	167.7	174.2	173.6	0	109.6
777	D	30.8	Very low	28.5	Very low	164 Å²	164	141.8 Å²	141.8	88%	0.877	77%	0.766	S	S	*	*			trans	-143.1	150.1	133.1	-89.1	-40.6	0	0	0	110.7
778	A	31.3	Very low	28.7	Very low	93 Å²	93	144.3 Å²	144.3	77%	0.769	77%	0.772	S	S	*	*			trans	-145.8	114	175.5	0	0	0	0	0	109.1
779	D	31.4	Very low	28.4	Very low	147 Å²	147	144 Å²	144	79%	0.786	77%	0.765	S	S	*	*			trans	-148.9	130.7	168.4	-93.7	-39.4	0	0	0	105.2
780	S	26.3	Very low	28.3	Very low	94 Å²	94	142.4 Å²	142.4	66%	0.657	77%	0.766	S	S	*	*				61.9	90.6	53	-164	0	0	0	0	112.7
781	R	25.5	Very low	28.4	Very low	220 Å²	220	144.1 Å²	144.1	83%	0.83	77%	0.772	S	S	*	*			trans	163	119.7	134.4	-89.3	157.2	-177.1	176	2.6	115.5
782	T	24.8	Very low	28.2	Very low	129 Å²	129	148 Å²	148	79%	0.791	78%	0.776	S	S	*	*				79.1	149.6	125.7	-44.3	0	0	0	0	121.5
783	A	27.6	Very low	28.3	Very low	74 Å²	74	148.5 Å²	148.5	61%	0.612	78%	0.78	S	S	*	*			trans	89.6	84.3	160.1	0	0	0	0	0	118.4
784	D	26	Very low	28	Very low	147 Å²	147	148.5 Å²	148.5	79%	0.786	78%	0.781	S	S	*	*				22.9	171	105.8	-60.4	-59.7	0	0	0	121.7
785	Y	29.1	Very low	28.1	Very low	214 Å²	214	151.7 Å²	151.7	84%	0.839	80%	0.795	S	S	*	*			trans	87.3	123.8	178.6	-59.5	-73.7	0	0	0	114.5
786	I	32.6	Very low	27.9	Very low	141 Å²	141	146.1 Å²	146.1	72%	0.723	79%	0.788	S	S	*	*			cis	-138	134.7	7.2	-61.4	-177.6	0	0	0	110.7	M788	I786-M788 HydrophobicContact CG2-CG 3.78Å
787	N	26.8	Very low	28.4	Very low	135 Å²	135	143.3 Å²	143.3	72%	0.722	79%	0.789	S	S	*	*			trans	-91.7	130.9	159.3	-167.4	34.7	0	0	0	108.2	D789	N787-D789 PolarHBondContact ND2-OD2 2.63Å; N787-D789 VanDerWaalsContact ND2-OD2 3.11Å
788	M	31.7	Very low	28.3	Very low	174 Å²	174	142.2 Å²	142.2	86%	0.857	79%	0.788	S	S	*	*			trans	-128	97.2	165.8	-80.9	-152.1	77.1	0	0	110.7	I786	I786-M788 HydrophobicContact CG2-CG 3.78Å
789	D	25.6	Very low	28.2	Very low	115 Å²	115	143.1 Å²	143.1	62%	0.615	78%	0.784	S	S	*	*			trans	-73.2	151.9	170.9	-99.4	-56.5	0	0	0	112.5	N787	N787-D789 PolarHBondContact ND2-OD2 2.63Å; N787-D789 VanDerWaalsContact ND2-OD2 3.11Å
790	V	25.8	Very low	28.2	Very low	119 Å²	119	143.7 Å²	143.7	72%	0.721	79%	0.786	S	S	*	*			trans	58.7	119.6	139.9	-179.2	0	0	0	0	118.2
791	Q	26.9	Very low	28.4	Very low	189 Å²	189	143.9 Å²	143.9	88%	0.883	79%	0.788	S	S	*	*				-169.8	150	108.7	-96.4	-170.6	27	0	0	113.3
792	R	25	Very low	28.7	Very low	239 Å²	239	139.3 Å²	139.3	90%	0.902	78%	0.784	S	S	*	*			trans	-80	146	174.8	-60.6	164.8	170.9	166.9	-5.5	110.3
793	S	27.1	Very low	29.1	Very low	121 Å²	121	139.6 Å²	139.6	85%	0.846	78%	0.777	S	S	*	*			trans	-169.2	142.1	140.2	34.3	0	0	0	0	113.3
794	N	25.1	Very low	29.5	Very low	164 Å²	164	143.5 Å²	143.5	88%	0.877	78%	0.78	S	S	*	*			trans	-72.4	144.2	166.5	-71.5	-30	0	0	0	110.5
795	S	31.1	Very low	30	Very low	126 Å²	126	143.1 Å²	143.1	88%	0.881	77%	0.773	S	S	*	*			trans	-173.6	145.7	133.9	30.8	0	0	0	0	110.5
796	G	27.3	Very low	30.3	Very low	73 Å²	73	138.2 Å²	138.2	75%	0.753	76%	0.762	S	S	*	*			trans	-103.7	-140.8	-171.4	0	0	0	0	0	114.5
797	P	39.1	Very low	30.5	Very low	131 Å²	131	138.4 Å²	138.4	85%	0.851	76%	0.758	S	S	*	*				-117.7	170.6	-126.7	41.1	-31.4	0	0	0	114.9
798	V	29.5	Very low	31	Very low	141 Å²	141	138.4 Å²	138.4	86%	0.855	76%	0.757	S	S	*	*			trans	-173.2	154.7	153.5	125.7	0	0	0	0	108.8
799	V	28.8	Very low	31.2	Very low	113 Å²	113	136.1 Å²	136.1	69%	0.685	75%	0.753	S	S	*	*			cis	-166.4	140.9	-43.6	134.7	0	0	0	0	104.8
800	L	30	Very low	31.9	Very low	158 Å²	158	135.5 Å²	135.5	83%	0.827	76%	0.755	S	S	*	*			trans	-178.6	106.5	134.5	-112.9	109	0	0	0	113
801	S	30.4	Very low	32.2	Very low	98 Å²	98	136.3 Å²	136.3	69%	0.685	76%	0.76	S	S	*	*			trans	58.7	126.8	132.3	-51	0	0	0	0	119.8
802	T	32.8	Very low	32.6	Very low	124 Å²	124	131.5 Å²	131.5	76%	0.761	75%	0.748	S	S	*	*			cis	-165.8	166.1	17.9	39	0	0	0	0	108.4
803	E	34	Very low	33.1	Very low	136 Å²	136	128.1 Å²	128.1	64%	0.636	74%	0.742	S	S	*	*			cis	-164.2	162.3	-13.5	-114.6	-164.3	144.5	0	0	111.1
804	K	35.2	Very low	33.5	Very low	156 Å²	156	127.8 Å²	127.8	68%	0.678	74%	0.74	S	S	*	*			trans	56	146	148.4	-67.4	169	178.9	142.4	0	121.6
805	E	35.7	Very low	34.1	Very low	138 Å²	138	124.9 Å²	124.9	65%	0.645	73%	0.73	S	S	*	*			cis	-174.1	159.6	-21.3	-112.1	-147.3	102.9	0	0	107.2	K807	E805-K807 IonicContact OE1-NZ 2.86Å; E805-K807 PolarHBondContact OE1-NZ 3.38Å
806	N	35.8	Very low	34.2	Very low	112 Å²	112	130.1 Å²	130.1	60%	0.599	73%	0.73	S	S	*	*			cis	-171.6	178.5	-22.7	-143.9	-22.1	0	0	0	113.3
807	K	37.7	Very low	34.6	Very low	145 Å²	145	133.4 Å²	133.4	63%	0.63	74%	0.736	S	S	*	*			trans	74.7	94.5	143.1	-76	154.6	-169.1	153	0	124.3	E805	E805-K807 IonicContact OE1-NZ 2.86Å; E805-K807 PolarHBondContact OE1-NZ 3.38Å
808	N	35.6	Very low	34.4	Very low	134 Å²	134	131.2 Å²	131.2	72%	0.717	73%	0.729	S	S	*	*				86.1	104.7	98.7	-69.3	7.2	0	0	0	127.2
809	V	36.6	Very low	34.8	Very low	127 Å²	127	130 Å²	130	77%	0.77	73%	0.725	S	S	*	*				31.5	169.7	118.1	-87.1	0	0	0	0	124.5
810	P	40.5	Very low	34.9	Very low	102 Å²	102	129.9 Å²	129.9	66%	0.662	73%	0.728	S	S	*	*			cis	-143	-165.2	-41.3	40.4	-20.5	0	0	0	116.7
811	T	32.7	Very low	35	Very low	135 Å²	135	130.8 Å²	130.8	83%	0.828	73%	0.728	S	S	*	*			trans	81.6	154.8	154.3	26.1	0	0	0	0	121
812	S	33.9	Very low	35.1	Very low	88 Å²	88	133.9 Å²	133.9	62%	0.615	74%	0.736	S	S	*	*			cis	-150.6	-178.5	-3.4	64.4	0	0	0	0	114.7
813	E	36.6	Very low	34.9	Very low	168 Å²	168	137.9 Å²	137.9	79%	0.785	74%	0.743	S	S	*	*			trans	67.6	102	147.5	-77.7	158.8	-110.5	0	0	126.4
814	S	35	Very low	34.6	Very low	114 Å²	114	136.8 Å²	136.8	80%	0.797	75%	0.75	S	S	*	*				69.4	158.4	111.7	123.9	0	0	0	0	122.8
815	P	38.5	Very low	34.3	Very low	103 Å²	103	138 Å²	138	67%	0.669	76%	0.758	S	S	*	*			trans	-127.1	169.7	-137.5	43.7	-32.2	0	0	0	118
816	R	32.6	Very low	33.9	Very low	236 Å²	236	139.9 Å²	139.9	89%	0.891	77%	0.772	S	S	*	*			trans	169	159.4	131.2	-93.4	163.1	-161.5	-121.5	4.6	114.9
817	T	36.5	Very low	33.5	Very low	142 Å²	142	140.3 Å²	140.3	87%	0.871	78%	0.783	S	S	*	*			trans	85.6	141.1	157	-5.3	0	0	0	0	119.5
818	A	33.7	Very low	32.9	Very low	86 Å²	86	138 Å²	138	71%	0.711	79%	0.786	S	S	*	*			trans	-135.8	-170.3	177.8	0	0	0	0	0	107.9
819	P	38.2	Very low	32.5	Very low	116 Å²	116	139 Å²	139	75%	0.753	79%	0.791	S	S	*	*			cis	-123.3	169.8	-28.4	38.4	-25.5	0	0	0	112.1
820	S	32.1	Very low	32.1	Very low	109 Å²	109	143 Å²	143	76%	0.762	80%	0.798	S	S	*	*			trans	156.8	141.5	137.8	47.8	0	0	0	0	113.4
821	E	31.6	Very low	31.6	Very low	177 Å²	177	143.1 Å²	143.1	83%	0.827	80%	0.801	S	S	*	*			trans	48.4	110.8	149.4	-62.5	175.9	-160.1	0	0	120.9
822	I	32	Very low	31.7	Very low	164 Å²	164	143.2 Å²	143.2	84%	0.841	80%	0.802	S	S	*	*				-178.4	138.1	101.2	-89.3	157	0	0	0	110.3
823	F	28.9	Very low	32.6	Very low	207 Å²	207	143.5 Å²	143.5	91%	0.908	80%	0.8	S	S	*	*			trans	-66.8	123.1	173.1	-112.4	-111.7	0	0	0	111.8
824	S	26.5	Very low	34	Very low	113 Å²	113	142 Å²	142	79%	0.79	80%	0.796	S	S	*	*			trans	-179.6	161.6	145.6	-82.5	0	0	0	0	110.4
825	E	28.8	Very low	36.3	Very low	181 Å²	181	137.6 Å²	137.6	85%	0.846	76%	0.764	S	S	*	*			trans	67.3	82.9	173.1	-54.5	-169.3	163.8	0	0	118.2
826	L	28	Very low	38.4	Very low	179 Å²	179	134.5 Å²	134.5	94%	0.937	74%	0.744	S	S	*	*			trans	-150.6	71.3	152.1	-107.2	139.8	0	0	0	111.5
827	S	27	Very low	41	Very low	120 Å²	120	124.8 Å²	124.8	84%	0.839	71%	0.709	S	S	*	*			trans	-133.3	54.3	175.3	59	0	0	0	0	112.8
828	S	26.3	Very low	43.4	Very low	97 Å²	97	125.1 Å²	125.1	68%	0.678	70%	0.704	S	S	*	*	S	Bend	trans	-159.6	140.7	162.7	53.3	0	0	0	0	111.2
829	N	26.3	Very low	46.1	Very low	154 Å²	154	122.4 Å²	122.4	82%	0.824	68%	0.678	S	S	*	*			trans	72.5	69.7	173.5	-54.7	-16.9	0	0	0	117.7
830	K	29	Very low	48.6	Very low	211 Å²	211	117.5 Å²	117.5	92%	0.917	65%	0.645	S	S	*	*			trans	-96	95.1	150.6	-78.9	-171.4	178	-179.6	0	110	T832	K830-T832 PolarHBondContact O-N 3.44Å
831	S	28.8	Very low	51.6	Low	105 Å²	105	117.1 Å²	117.1	73%	0.734	63%	0.626	S	S	*	*			trans	-58.6	122.3	166.8	-48.5	0	0	0	0	109.1	T833	S831-T833 PolarHBondContact O-N 3.18Å
832	T	36	Very low	54.5	Low	137 Å²	137	111 Å²	111	84%	0.84	60%	0.601	S	S	*	*			trans	-59.5	99	174.5	38.2	0	0	0	0	109.6	K830 I834	K830-T832 PolarHBondContact O-N 3.44Å; T832-I834 PolarHBondContact O-N 2.98Å
833	T	53.1	Low	57.4	Low	95 Å²	95	105.1 Å²	105.1	58%	0.583	57%	0.573	S	S	*	*			trans	-72.5	110.1	177.3	-2	0	0	0	0	107.6	S831 L835	S831-T833 PolarHBondContact O-N 3.18Å; T833-L835 PolarHBondContact O-N 2.85Å; T833-L835 VanDerWaalsContact O-N 3.15Å
834	I	65.6	Low	60.6	Low	137 Å²	137	95.6 Å²	95.6	70%	0.703	53%	0.533	S	S	*	.			trans	-59	118.6	179.7	-59.3	171.4	0	0	0	108.1	T832	T832-I834 PolarHBondContact O-N 2.98Å
835	L	82.2	Confident	63.8	Low	21 Å²	21	90.2 Å²	90.2	11%	0.11	50%	0.495	C	S	.	.			trans	-68.6	136.4	-180	-149.3	82.2	0	0	0	109.4	T833 F840 Y859 A908 F910 V919 Y1163	T833-L835 PolarHBondContact O-N 2.85Å; T833-L835 VanDerWaalsContact O-N 3.15Å; L835-F840 HydrophobicContact CD2-CE2 3.79Å; L835-F840 HydrophobicContact CD2-CZ 3.85Å; L835-F840 HydrophobicContact CG-CE2 4.11Å; L835-Y859 HydrophobicContact CD1-CE2 3.8Å; L835-Y859 WeakPolarHBondContact CD1-OH 3.43Å; L835-A908 HydrophobicContact CD2-CB 3.75Å; L835-F910 HydrophobicContact CB-CB 4.24Å; L835-F910 HydrophobicContact CB-CD1 4.33Å; L835-F910 HydrophobicContact CB-CG 4.32Å; L835-F910 HydrophobicContact CD2-CD1 3.78Å; L835-F910 HydrophobicContact CD2-CE1 4.09Å; L835-F910 HydrophobicContact CG-CD1 4.43Å; L835-F910 WeakPolarHBondContact O-CB 3.44Å; L835-F910 WeakPolarHBondContact O-CD2 3.38Å; L835-V919 HydrophobicContact CD2-CG2 4.38Å; L835-Y1163 HydrophobicContact CD1-CD2 4.39Å; L835-Y1163 HydrophobicContact CD1-CE2 4.16Å
836	S	83.8	Confident	66.9	Low	37 Å²	37	82.3 Å²	82.3	26%	0.259	46%	0.458	S	S	.	.			trans	-134.9	163.4	-177.7	80.2	0	0	0	0	111.9	I838 D839 F840	S836-I838 PolarHBondContact O-N 3.27Å; S836-I838 VanDerWaalsContact O-N 3.16Å; S836-I838 WeakPolarHBondContact OG-CB 3.29Å; S836-I838 PolarHBondContact OG-N 3.2Å; S836-D839 WeakPolarHBondContact CB-OD2 3.27Å; S836-D839 PolarHBondContact N-OD2 3Å; S836-D839 WeakPolarHBondContact O-CB 3.45Å; S836-D839 PolarHBondContact O-N 3.47Å; S836-D839 VanDerWaalsContact O-N 3.09Å; S836-D839 PolarHBondContact OG-OD2 3.34Å; S836-F840 WeakPolarHBondContact O-CD2 3.44Å
837	M	87	Confident	69.8	Low	33 Å²	33	74.5 Å²	74.5	16%	0.163	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-61.1	-20.9	171.7	-76.5	-61.2	-53.7	0	0	113.2	D839 F840 T842 F910 T912 M917 L1140	M837-D839 PolarHBondContact O-N 3.08Å; M837-F840 PolarHBondContact O-N 3.19Å; M837-T842 HydrophobicContact CE-CG2 3.7Å; M837-F910 HydrophobicContact CG-CE2 3.85Å; M837-F910 HydrophobicContact CG-CZ 4.04Å; M837-F910 HydrophobicContact SD-CE2 4.08Å; M837-F910 HydrophobicContact SD-CZ 3.67Å; M837-T912 HydrophobicContact CG-CG2 4.41Å; M837-M917 HydrophobicContact CG-CE 3.87Å; M837-M917 HydrophobicContact SD-CE 3.82Å; M837-M917 HydrophobicContact SD-CG 4.33Å; M837-M917 HydrophobicContact SD-SD 4.4Å; M837-L1140 HydrophobicContact CE-CD1 4.35Å; M837-L1140 HydrophobicContact CE-CD2 4.36Å; M837-L1140 HydrophobicContact CE-CG 4.34Å; M837-L1140 HydrophobicContact CG-CD1 3.94Å; M837-L1140 HydrophobicContact SD-CD1 4.39Å
838	I	87.2	Confident	72.6	Confident	149 Å²	149	76.5 Å²	76.5	76%	0.764	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-71.2	-27.3	178.8	-56.2	170.9	0	0	0	110	S836 F840	S836-I838 PolarHBondContact O-N 3.27Å; S836-I838 VanDerWaalsContact O-N 3.16Å; S836-I838 WeakPolarHBondContact OG-CB 3.29Å; S836-I838 PolarHBondContact OG-N 3.2Å; I838-F840 PolarHBondContact O-N 3.1Å
839	D	89.1	Confident	74.8	Confident	29 Å²	29	74 Å²	74	16%	0.155	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-71.9	-2.1	173.2	-54.4	-99.8	0	0	0	113.1	S836 M837 Y859 H860 R861	S836-D839 WeakPolarHBondContact CB-OD2 3.27Å; S836-D839 PolarHBondContact N-OD2 3Å; S836-D839 WeakPolarHBondContact O-CB 3.45Å; S836-D839 PolarHBondContact O-N 3.47Å; S836-D839 VanDerWaalsContact O-N 3.09Å; S836-D839 PolarHBondContact OG-OD2 3.34Å; M837-D839 PolarHBondContact O-N 3.08Å; D839-Y859 HydrophobicContact CB-CD2 4.06Å; D839-Y859 HydrophobicContact CB-CE2 3.55Å; D839-Y859 VanDerWaalsContact O-CD2 3.29Å; D839-Y859 WeakPolarHBondContact O-CD2 3.45Å; D839-H860 PolarHBondContact O-N 3.5Å; D839-H860 PolarHBondContact O-ND1 2.77Å; D839-R861 IonicContact OD1-CZ 2.75Å; D839-R861 IonicContact OD1-NE 2.68Å; D839-R861 IonicContact OD1-NH2 3.43Å; D839-R861 PolarHBondContact OD1-NH2 2.92Å
840	F	92.3	Very high	76.8	Confident	13 Å²	13	72.3 Å²	72.3	6%	0.057	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.5	-179.1	-65.3	-88.1	0	0	0	114.1	L835 S836 M837 I838 Q858 Y859 H860 Y866 I868 F910 V919	L835-F840 HydrophobicContact CD2-CE2 3.79Å; L835-F840 HydrophobicContact CD2-CZ 3.85Å; L835-F840 HydrophobicContact CG-CE2 4.11Å; S836-F840 WeakPolarHBondContact O-CD2 3.44Å; M837-F840 PolarHBondContact O-N 3.19Å; I838-F840 PolarHBondContact O-N 3.1Å; F840-Q858 CarbonylContact C-O 3.5Å; F840-Q858 VanDerWaalsContact CA-O 3.3Å; F840-Q858 WeakPolarHBondContact CA-O 3.33Å; F840-Y859 AromaticContact CD1-CD2 3.88Å; F840-Y859 HydrophobicContact CD1-CD2 3.88Å; F840-Y859 HydrophobicContact CD1-CG 4.39Å; F840-Y859 HydrophobicContact CD2-CD2 4.35Å; F840-Y859 AromaticContact CE1-CD2 3.52Å; F840-Y859 HydrophobicContact CE1-CD2 3.52Å; F840-Y859 HydrophobicContact CE1-CE2 4.45Å; F840-Y859 AromaticContact CE1-CG 3.98Å; F840-Y859 HydrophobicContact CE1-CG 3.98Å; F840-Y859 HydrophobicContact CE2-CD2 4.01Å; F840-Y859 HydrophobicContact CE2-CE2 4.29Å; F840-Y859 HydrophobicContact CG-CD2 4.29Å; F840-Y859 AromaticContact CZ-CD2 3.59Å; F840-Y859 HydrophobicContact CZ-CD2 3.59Å; F840-Y859 HydrophobicContact CZ-CE2 4.1Å; F840-Y859 HydrophobicContact CZ-CG 4.37Å; F840-H860 PolarHBondContact N-ND1 3.38Å; F840-Y866 HydrophobicContact CE1-CD2 4.1Å; F840-I868 HydrophobicContact CB-CD1 4.28Å; F840-I868 HydrophobicContact CD1-CD1 3.7Å; F840-I868 HydrophobicContact CD2-CD1 4.01Å; F840-I868 HydrophobicContact CE1-CD1 3.92Å; F840-I868 HydrophobicContact CE2-CD1 4.24Å; F840-I868 HydrophobicContact CG-CD1 3.74Å; F840-I868 HydrophobicContact CZ-CD1 4.19Å; F840-F910 HydrophobicContact CD2-CE1 4.45Å; F840-F910 HydrophobicContact CD2-CZ 4.29Å; F840-F910 AromaticContact CE2-CE1 3.79Å; F840-F910 HydrophobicContact CE2-CE1 3.79Å; F840-F910 HydrophobicContact CE2-CZ 4.06Å; F840-F910 HydrophobicContact CZ-CE1 4.49Å; F840-V919 HydrophobicContact CE1-CG1 4.15Å; F840-V919 HydrophobicContact CE2-CG2 4.43Å; F840-V919 HydrophobicContact CZ-CG1 4.05Å; F840-V919 HydrophobicContact CZ-CG2 3.95Å
841	R	93.9	Very high	78.6	Confident	101 Å²	101	65.3 Å²	65.3	38%	0.381	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	107.2	165.1	169.7	-179.5	162	-117.8	-10.3	108.5	S857 Q858 H860 E1124	R841-S857 CarbonylContact O-C 3.51Å; R841-S857 WeakPolarHBondContact O-CA 3.46Å; R841-Q858 HydrophobicContact CB-CB 4.34Å; R841-Q858 PolarHBondContact N-O 2.94Å; R841-Q858 PolarHBondContact O-N 2.97Å; R841-H860 PolarHBondContact N-CE1 3.33Å; R841-E1124 IonicContact CZ-OE1 2.79Å; R841-E1124 VanDerWaalsContact CZ-OE1 3.22Å; R841-E1124 IonicContact CZ-OE2 2.8Å; R841-E1124 IonicContact NH1-OE1 3.84Å; R841-E1124 PolarHBondContact NH1-OE1 2.94Å; R841-E1124 VanDerWaalsContact NH2-CD 3.28Å; R841-E1124 IonicContact NH2-OE1 3.8Å; R841-E1124 PolarHBondContact NH2-OE1 3.22Å; R841-E1124 IonicContact NH2-OE2 2.68Å; R841-E1124 PolarHBondContact NH2-OE2 3.12Å
842	T	93.3	Very high	81.2	Confident	49 Å²	49	61.2 Å²	61.2	30%	0.301	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	124.5	174	49.9	0	0	0	0	110.6	M837 L855 A1138	M837-T842 HydrophobicContact CE-CG2 3.7Å; T842-L855 HydrophobicContact CG2-CD1 4.02Å; T842-A1138 PolarHBondContact OG1-O 3.03Å; T842-A1138 VanDerWaalsContact OG1-O 3.09Å
843	V	93.4	Very high	83.9	Confident	39 Å²	39	55.2 Å²	55.2	24%	0.236	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-59.3	-174.5	-177.7	0	0	0	0	111.2	L856 Y865 E1124 A1138	V843-L856 HydrophobicContact CB-CB 4.38Å; V843-L856 HydrophobicContact CB-CD2 4.2Å; V843-L856 HydrophobicContact CB-CG 4.06Å; V843-L856 HydrophobicContact CG1-CD2 4.17Å; V843-L856 HydrophobicContact CG2-CG 4.47Å; V843-L856 PolarHBondContact N-O 3.39Å; V843-Y865 HydrophobicContact CG2-CE1 4.16Å; V843-E1124 HydrophobicContact CG1-CB 4.23Å; V843-E1124 HydrophobicContact CG1-CG 4Å; V843-E1124 WeakPolarHBondContact CG1-OE2 3.49Å; V843-E1124 HydrophobicContact CG2-CG 4.37Å; V843-A1138 WeakPolarHBondContact O-CB 3.15Å
844	A	94.5	Very high	85.8	Confident	8 Å²	8	52.4 Å²	52.4	7%	0.066	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	160.7	-172.9	0	0	0	0	0	111.8	L855 L856 V1126	A844-L855 CarbonylContact O-C 3.57Å; A844-L855 WeakPolarHBondContact O-CA 3.2Å; A844-L856 HydrophobicContact CB-CB 4.27Å; A844-L856 PolarHBondContact O-N 3.01Å; A844-V1126 HydrophobicContact CB-CG1 3.94Å; A844-V1126 HydrophobicContact CB-CG2 4.47Å
845	V	94.5	Very high	87.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.5	164.3	-172.4	0	0	0	0	107.7	K853 L855 F1133 T1134 E1136 A1138	V845-K853 HydrophobicContact CG1-CB 4.37Å; V845-K853 HydrophobicContact CG1-CD 4.12Å; V845-K853 HydrophobicContact CG1-CG 4.39Å; V845-K853 HydrophobicContact CG2-CD 4.35Å; V845-L855 HydrophobicContact CB-CD2 4.31Å; V845-L855 HydrophobicContact CG1-CD2 4.43Å; V845-L855 HydrophobicContact CG2-CD2 3.76Å; V845-F1133 WeakPolarHBondContact CB-O 3.3Å; V845-F1133 HydrophobicContact CG1-CB 4.42Å; V845-F1133 CarbonylContact O-C 3.46Å; V845-F1133 VanDerWaalsContact O-C 3.29Å; V845-T1134 WeakPolarHBondContact O-CA 3.48Å; V845-T1134 PolarHBondContact O-N 3.19Å; V845-E1136 HydrophobicContact CB-CB 4.48Å; V845-E1136 HydrophobicContact CG2-CB 4.1Å; V845-A1138 HydrophobicContact CG2-CB 4.48Å
846	L	93.2	Very high	87.9	Confident	15 Å²	15	44.9 Å²	44.9	8%	0.079	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	-27.1	179.7	-64.3	176.7	0	0	0	112.4	V854 L856 A867 Y922 V1126 F1129	L846-V854 HydrophobicContact CB-CB 4.38Å; L846-V854 HydrophobicContact CB-CG1 4.22Å; L846-V854 HydrophobicContact CD1-CG1 4.25Å; L846-V854 PolarHBondContact N-O 3.02Å; L846-L856 HydrophobicContact CD1-CB 3.95Å; L846-L856 HydrophobicContact CD2-CB 3.94Å; L846-L856 HydrophobicContact CG-CB 3.85Å; L846-A867 HydrophobicContact CD1-CB 4.23Å; L846-Y922 HydrophobicContact CD1-CD2 3.76Å; L846-Y922 HydrophobicContact CD1-CE2 3.52Å; L846-Y922 HydrophobicContact CD2-CE2 3.92Å; L846-Y922 HydrophobicContact CG-CE2 4.38Å; L846-V1126 HydrophobicContact CD2-CB 4.49Å; L846-V1126 HydrophobicContact CD2-CG1 3.76Å; L846-F1129 HydrophobicContact CB-CD1 4.06Å; L846-F1129 HydrophobicContact CB-CE1 4.14Å; L846-F1129 HydrophobicContact CD1-CE1 4.42Å; L846-F1129 HydrophobicContact CD1-CZ 4.47Å; L846-F1129 HydrophobicContact CD2-CD1 3.95Å; L846-F1129 HydrophobicContact CD2-CD2 3.9Å; L846-F1129 HydrophobicContact CD2-CE1 3.97Å; L846-F1129 HydrophobicContact CD2-CE2 3.93Å; L846-F1129 HydrophobicContact CD2-CG 3.92Å; L846-F1129 HydrophobicContact CD2-CZ 3.95Å; L846-F1129 HydrophobicContact CG-CE1 4.4Å
847	G	89.9	Confident	88.4	Confident	14 Å²	14	43.1 Å²	43.1	14%	0.144	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	165.8	-178.2	0	0	0	0	0	112.9	V854	G847-V854 PolarHBondContact O-N 3.46Å
848	R	85.5	Confident	88.8	Confident	162 Å²	162	42.7 Å²	42.7	61%	0.611	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	116.9	-177.8	-176.2	175.4	174.2	174.2	-5.8	111.4	F1133	R848-F1133 HydrophobicContact CB-CD1 4.18Å; R848-F1133 HydrophobicContact CB-CE1 4.03Å
849	G	72.4	Confident	89.1	Confident	45 Å²	45	36.3 Å²	36.3	46%	0.464	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	173.6	173.2	0	0	0	0	0	112.3	F851 G852	G849-F851 PolarHBondContact O-N 3.13Å; G849-G852 PolarHBondContact N-O 3.47Å; G849-G852 PolarHBondContact O-N 3.48Å; G849-G852 VanDerWaalsContact O-O 3.11Å
850	H	68.9	Low	89.2	Confident	119 Å²	119	40 Å²	40	55%	0.551	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-38.2	174.8	179.8	-72.8	0	0	0	112.4	E875 R879	H850-E875 IonicContact CE1-OE1 3.83Å; H850-R879 PolarHBondContact CE1-NH1 3.36Å; H850-R879 PolarHBondContact CE1-NH2 2.88Å; H850-R879 PolarHBondContact NE2-NH2 3.32Å
851	F	66.2	Low	88.8	Confident	64 Å²	64	45.8 Å²	45.8	28%	0.281	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-11.4	-172.3	-55.1	-71.4	0	0	0	115.3	G849 L871 K872 E875 E881	G849-F851 PolarHBondContact O-N 3.13Å; F851-L871 HydrophobicContact CB-CB 4.41Å; F851-L871 HydrophobicContact CB-CD2 3.9Å; F851-L871 HydrophobicContact CB-CG 4.37Å; F851-K872 PolarHBondContact O-N 3.29Å; F851-E875 HydrophobicContact CD1-CG 4.15Å; F851-E881 WeakPolarHBondContact CE1-OE2 3.49Å; F851-E881 WeakPolarHBondContact CZ-OE2 3.47Å
852	G	83.3	Confident	88.5	Confident	18 Å²	18	43.8 Å²	43.8	19%	0.186	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	-170.9	-153.4	0	0	0	0	0	116.3	G849 S870	G849-G852 PolarHBondContact N-O 3.47Å; G849-G852 PolarHBondContact O-N 3.48Å; G849-G852 VanDerWaalsContact O-O 3.11Å; G852-S870 CarbonylContact C-O 3.51Å; G852-S870 WeakPolarHBondContact CA-O 3.27Å
853	K	91.6	Very high	88.2	Confident	11 Å²	11	46.2 Å²	46.2	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.4	176	-69.8	-174.2	174.8	-171.9	0	110.1	V845 L855 S870 E1136 T1141	V845-K853 HydrophobicContact CG1-CB 4.37Å; V845-K853 HydrophobicContact CG1-CD 4.12Å; V845-K853 HydrophobicContact CG1-CG 4.39Å; V845-K853 HydrophobicContact CG2-CD 4.35Å; K853-L855 HydrophobicContact CB-CD2 4.38Å; K853-L855 HydrophobicContact CD-CD2 4.47Å; K853-S870 PolarHBondContact N-O 3.11Å; K853-S870 PolarHBondContact O-N 3.37Å; K853-E1136 WeakPolarHBondContact CE-OE1 3.49Å; K853-E1136 WeakPolarHBondContact CE-OE2 3.44Å; K853-E1136 IonicContact NZ-OE1 3.83Å; K853-E1136 PolarHBondContact NZ-OE1 3.43Å; K853-E1136 IonicContact NZ-OE2 3.31Å; K853-E1136 PolarHBondContact NZ-OE2 2.98Å; K853-T1141 WeakPolarHBondContact CE-OG1 3.41Å
854	V	94.3	Very high	88.2	Confident	36 Å²	36	49.4 Å²	49.4	22%	0.218	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.8	164.6	-173.7	0	0	0	0	107.9	L846 G847 A867 I868 K869	L846-V854 HydrophobicContact CB-CB 4.38Å; L846-V854 HydrophobicContact CB-CG1 4.22Å; L846-V854 HydrophobicContact CD1-CG1 4.25Å; L846-V854 PolarHBondContact N-O 3.02Å; G847-V854 PolarHBondContact O-N 3.46Å; V854-A867 HydrophobicContact CG1-CB 3.98Å; V854-I868 CarbonylContact C-O 3.55Å; V854-I868 WeakPolarHBondContact CA-O 3.42Å; V854-K869 HydrophobicContact CG2-CB 4.38Å; V854-K869 HydrophobicContact CG2-CG 4.34Å
855	L	95	Very high	88.2	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.3	-177	-60.9	177.5	0	0	0	110.5	T842 A844 V845 K853 S857 I868 L1140	T842-L855 HydrophobicContact CG2-CD1 4.02Å; A844-L855 CarbonylContact O-C 3.57Å; A844-L855 WeakPolarHBondContact O-CA 3.2Å; V845-L855 HydrophobicContact CB-CD2 4.31Å; V845-L855 HydrophobicContact CG1-CD2 4.43Å; V845-L855 HydrophobicContact CG2-CD2 3.76Å; K853-L855 HydrophobicContact CB-CD2 4.38Å; K853-L855 HydrophobicContact CD-CD2 4.47Å; L855-S857 PolarHBondContact O-N 2.93Å; L855-S857 PolarHBondContact O-OG 3.3Å; L855-I868 PolarHBondContact N-O 2.99Å; L855-I868 PolarHBondContact O-N 2.96Å; L855-L1140 HydrophobicContact CD1-CD2 3.86Å
856	L	96.2	Very high	88.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	122.4	163.8	178	56.9	0	0	0	107.9	V843 A844 L846 Y865 Y922 V1126	V843-L856 HydrophobicContact CB-CB 4.38Å; V843-L856 HydrophobicContact CB-CD2 4.2Å; V843-L856 HydrophobicContact CB-CG 4.06Å; V843-L856 HydrophobicContact CG1-CD2 4.17Å; V843-L856 HydrophobicContact CG2-CG 4.47Å; V843-L856 PolarHBondContact N-O 3.39Å; A844-L856 HydrophobicContact CB-CB 4.27Å; A844-L856 PolarHBondContact O-N 3.01Å; L846-L856 HydrophobicContact CD1-CB 3.95Å; L846-L856 HydrophobicContact CD2-CB 3.94Å; L846-L856 HydrophobicContact CG-CB 3.85Å; L856-Y865 HydrophobicContact CD1-CD1 4.09Å; L856-Y865 HydrophobicContact CG-CD1 4.43Å; L856-Y922 HydrophobicContact CD1-CD1 3.44Å; L856-Y922 VanDerWaalsContact CD1-CD1 3.44Å; L856-Y922 HydrophobicContact CD1-CD2 3.93Å; L856-Y922 HydrophobicContact CD1-CE1 3.43Å; L856-Y922 VanDerWaalsContact CD1-CE1 3.43Å; L856-Y922 HydrophobicContact CD1-CE2 3.94Å; L856-Y922 HydrophobicContact CD1-CG 3.71Å; L856-Y922 HydrophobicContact CD2-CE1 4.02Å; L856-Y922 HydrophobicContact CG-CE1 4.38Å; L856-V1126 HydrophobicContact CD2-CG1 3.6Å
857	S	95.4	Very high	88.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129.8	-174.4	-52.3	0	0	0	0	111.3	R841 L855 Y866 I868	R841-S857 CarbonylContact O-C 3.51Å; R841-S857 WeakPolarHBondContact O-CA 3.46Å; L855-S857 PolarHBondContact O-N 2.93Å; L855-S857 PolarHBondContact O-OG 3.3Å; S857-Y866 PolarHBondContact N-O 3.36Å; S857-Y866 PolarHBondContact O-N 3.43Å; S857-I868 WeakPolarHBondContact OG-CD1 3.32Å
858	Q	95.4	Very high	88.6	Confident	25 Å²	25	50.7 Å²	50.7	12%	0.117	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130.8	172.7	-168	-178.3	26.6	0	0	109.6	F840 R841 N863 K864 Y865	F840-Q858 CarbonylContact C-O 3.5Å; F840-Q858 VanDerWaalsContact CA-O 3.3Å; F840-Q858 WeakPolarHBondContact CA-O 3.33Å; R841-Q858 HydrophobicContact CB-CB 4.34Å; R841-Q858 PolarHBondContact N-O 2.94Å; R841-Q858 PolarHBondContact O-N 2.97Å; Q858-N863 PolarHBondContact NE2-O 2.88Å; Q858-K864 CarbonylContact C-O 3.47Å; Q858-K864 WeakPolarHBondContact CA-O 3.24Å; Q858-Y865 HydrophobicContact CB-CD1 3.94Å; Q858-Y865 HydrophobicContact CB-CE1 3.63Å; Q858-Y865 HydrophobicContact CG-CD1 4.29Å; Q858-Y865 HydrophobicContact CG-CE1 3.84Å; Q858-Y865 HydrophobicContact CG-CE2 4.13Å; Q858-Y865 PolarHBondContact NE2-OH 3.17Å; Q858-Y865 VanDerWaalsContact NE2-OH 3.12Å
859	Y	93.3	Very high	89	Confident	15 Å²	15	44.4 Å²	44.4	6%	0.059	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.3	173.7	-174.6	-125.2	0	0	0	110.2	L835 D839 F840 R861 D862 N863 K864 Y866	L835-Y859 HydrophobicContact CD1-CE2 3.8Å; L835-Y859 WeakPolarHBondContact CD1-OH 3.43Å; D839-Y859 HydrophobicContact CB-CD2 4.06Å; D839-Y859 HydrophobicContact CB-CE2 3.55Å; D839-Y859 VanDerWaalsContact O-CD2 3.29Å; D839-Y859 WeakPolarHBondContact O-CD2 3.45Å; F840-Y859 AromaticContact CD1-CD2 3.88Å; F840-Y859 HydrophobicContact CD1-CD2 3.88Å; F840-Y859 HydrophobicContact CD1-CG 4.39Å; F840-Y859 HydrophobicContact CD2-CD2 4.35Å; F840-Y859 AromaticContact CE1-CD2 3.52Å; F840-Y859 HydrophobicContact CE1-CD2 3.52Å; F840-Y859 HydrophobicContact CE1-CE2 4.45Å; F840-Y859 AromaticContact CE1-CG 3.98Å; F840-Y859 HydrophobicContact CE1-CG 3.98Å; F840-Y859 HydrophobicContact CE2-CD2 4.01Å; F840-Y859 HydrophobicContact CE2-CE2 4.29Å; F840-Y859 HydrophobicContact CG-CD2 4.29Å; F840-Y859 AromaticContact CZ-CD2 3.59Å; F840-Y859 HydrophobicContact CZ-CD2 3.59Å; F840-Y859 HydrophobicContact CZ-CE2 4.1Å; F840-Y859 HydrophobicContact CZ-CG 4.37Å; Y859-R861 HydrophobicContact CD1-CB 4.04Å; Y859-R861 HydrophobicContact CD1-CG 4.48Å; Y859-R861 HydrophobicContact CE1-CB 3.61Å; Y859-R861 HydrophobicContact CE1-CG 3.81Å; Y859-R861 PolarHBondContact O-N 3.47Å; Y859-R861 VanDerWaalsContact O-N 3.17Å; Y859-R861 VanDerWaalsContact OH-CD 3.29Å; Y859-R861 WeakPolarHBondContact OH-CD 3.36Å; Y859-R861 PolarHBondContact OH-NE 3.36Å; Y859-D862 WeakPolarHBondContact CB-OD1 3.42Å; Y859-D862 WeakPolarHBondContact CD1-OD1 3.47Å; Y859-N863 WeakPolarHBondContact O-CA 3.38Å; Y859-N863 PolarHBondContact O-N 3.48Å; Y859-K864 PolarHBondContact N-O 3.33Å; Y859-Y866 HydrophobicContact CG-CE2 4.42Å
860	H	90	Very high	90.1	Very high	106 Å²	106	42.5 Å²	42.5	49%	0.491	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.4	-170.2	-70.4	94.9	0	0	0	114.4	D839 F840 R841	D839-H860 PolarHBondContact O-N 3.5Å; D839-H860 PolarHBondContact O-ND1 2.77Å; F840-H860 PolarHBondContact N-ND1 3.38Å; R841-H860 PolarHBondContact N-CE1 3.33Å
861	R	85.1	Confident	91.2	Very high	135 Å²	135	37.3 Å²	37.3	51%	0.509	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-32	-173.6	-52.2	-169.8	-169	172.5	5.5	114	D839 Y859	D839-R861 IonicContact OD1-CZ 2.75Å; D839-R861 IonicContact OD1-NE 2.68Å; D839-R861 IonicContact OD1-NH2 3.43Å; D839-R861 PolarHBondContact OD1-NH2 2.92Å; Y859-R861 HydrophobicContact CD1-CB 4.04Å; Y859-R861 HydrophobicContact CD1-CG 4.48Å; Y859-R861 HydrophobicContact CE1-CB 3.61Å; Y859-R861 HydrophobicContact CE1-CG 3.81Å; Y859-R861 PolarHBondContact O-N 3.47Å; Y859-R861 VanDerWaalsContact O-N 3.17Å; Y859-R861 VanDerWaalsContact OH-CD 3.29Å; Y859-R861 WeakPolarHBondContact OH-CD 3.36Å; Y859-R861 PolarHBondContact OH-NE 3.36Å
862	D	85.9	Confident	92.4	Very high	58 Å²	58	36.8 Å²	36.8	31%	0.31	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-6	-178	67	1.9	0	0	0	113.2	Y859 K864 Y866	Y859-D862 WeakPolarHBondContact CB-OD1 3.42Å; Y859-D862 WeakPolarHBondContact CD1-OD1 3.47Å; D862-K864 HydrophobicContact CB-CG 4.19Å; D862-K864 PolarHBondContact O-N 3.2Å; D862-K864 VanDerWaalsContact O-N 3.14Å; D862-K864 WeakPolarHBondContact OD1-CB 3.49Å; D862-K864 PolarHBondContact OD1-N 3.27Å; D862-K864 WeakPolarHBondContact OD2-CD 3.14Å; D862-Y866 PolarHBondContact OD2-OH 3.11Å
863	N	88.9	Confident	92.9	Very high	101 Å²	101	36.1 Å²	36.1	54%	0.54	17%	0.167	S	C	.	.			trans	57.8	13	-173	-62.1	-59.3	0	0	0	115	Q858 Y859 Y865	Q858-N863 PolarHBondContact NE2-O 2.88Å; Y859-N863 WeakPolarHBondContact O-CA 3.38Å; Y859-N863 PolarHBondContact O-N 3.48Å; N863-Y865 WeakPolarHBondContact O-CE2 3.26Å
864	K	92.6	Very high	92.8	Very high	106 Å²	106	36 Å²	36	46%	0.461	17%	0.168	S	C	.	.			trans	-77.5	158.6	175.6	-64	-175.5	-170.3	168.7	0	110.9	Q858 Y859 D862 Y866	Q858-K864 CarbonylContact C-O 3.47Å; Q858-K864 WeakPolarHBondContact CA-O 3.24Å; Y859-K864 PolarHBondContact N-O 3.33Å; D862-K864 HydrophobicContact CB-CG 4.19Å; D862-K864 PolarHBondContact O-N 3.2Å; D862-K864 VanDerWaalsContact O-N 3.14Å; D862-K864 WeakPolarHBondContact OD1-CB 3.49Å; D862-K864 PolarHBondContact OD1-N 3.27Å; D862-K864 WeakPolarHBondContact OD2-CD 3.14Å; K864-Y866 HydrophobicContact CB-CE2 3.76Å; K864-Y866 WeakPolarHBondContact CD-OH 3.4Å
865	Y	94.4	Very high	92.4	Very high	40 Å²	40	36 Å²	36	16%	0.157	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.9	-177	-67.3	-95.9	0	0	0	111	V843 L856 Q858 N863 P1123 E1124	V843-Y865 HydrophobicContact CG2-CE1 4.16Å; L856-Y865 HydrophobicContact CD1-CD1 4.09Å; L856-Y865 HydrophobicContact CG-CD1 4.43Å; Q858-Y865 HydrophobicContact CB-CD1 3.94Å; Q858-Y865 HydrophobicContact CB-CE1 3.63Å; Q858-Y865 HydrophobicContact CG-CD1 4.29Å; Q858-Y865 HydrophobicContact CG-CE1 3.84Å; Q858-Y865 HydrophobicContact CG-CE2 4.13Å; Q858-Y865 PolarHBondContact NE2-OH 3.17Å; Q858-Y865 VanDerWaalsContact NE2-OH 3.12Å; N863-Y865 WeakPolarHBondContact O-CE2 3.26Å; Y865-P1123 HydrophobicContact CD2-CB 3.66Å; Y865-P1123 HydrophobicContact CD2-CG 4.33Å; Y865-P1123 HydrophobicContact CE2-CB 3.6Å; Y865-P1123 HydrophobicContact CE2-CG 3.75Å; Y865-P1123 HydrophobicContact CG-CB 4.37Å; Y865-E1124 HydrophobicContact CD1-CG 4.34Å; Y865-E1124 HydrophobicContact CE1-CG 3.38Å; Y865-E1124 WeakPolarHBondContact OH-CG 3.43Å; Y865-E1124 PolarHBondContact OH-OE1 2.88Å
866	Y	95.1	Very high	92.2	Very high	15 Å²	15	36.2 Å²	36.2	6%	0.059	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.7	-174.2	-59.4	-76.1	0	0	0	110.6	F840 S857 Y859 D862 K864 I907 V919 M920	F840-Y866 HydrophobicContact CE1-CD2 4.1Å; S857-Y866 PolarHBondContact N-O 3.36Å; S857-Y866 PolarHBondContact O-N 3.43Å; Y859-Y866 HydrophobicContact CG-CE2 4.42Å; D862-Y866 PolarHBondContact OD2-OH 3.11Å; K864-Y866 HydrophobicContact CB-CE2 3.76Å; K864-Y866 WeakPolarHBondContact CD-OH 3.4Å; Y866-I907 HydrophobicContact CD1-CD1 3.71Å; Y866-I907 HydrophobicContact CD1-CG1 4.06Å; Y866-I907 HydrophobicContact CE1-CB 4.41Å; Y866-I907 HydrophobicContact CE1-CD1 3.87Å; Y866-I907 HydrophobicContact CE1-CG1 3.76Å; Y866-I907 HydrophobicContact CE1-CG2 4.34Å; Y866-V919 HydrophobicContact CD1-CG1 4.14Å; Y866-V919 HydrophobicContact CD2-CG1 4.4Å; Y866-V919 HydrophobicContact CG-CG1 3.81Å; Y866-M920 WeakPolarHBondContact CA-O 3.26Å; Y866-M920 WeakPolarHBondContact CB-O 3.41Å
867	A	95.5	Very high	91.9	Very high	9 Å²	9	38.1 Å²	38.1	7%	0.074	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	108.6	172.2	0	0	0	0	0	109.5	L846 V854 M920	L846-A867 HydrophobicContact CD1-CB 4.23Å; V854-A867 HydrophobicContact CG1-CB 3.98Å; A867-M920 HydrophobicContact CB-CE 4.36Å; A867-M920 PolarHBondContact N-O 2.96Å; A867-M920 PolarHBondContact O-N 3.03Å
868	I	95.4	Very high	91.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	105	-179.6	-55.8	-173.1	0	0	0	110.3	F840 V854 L855 S857 S870 M917 F918 V919	F840-I868 HydrophobicContact CB-CD1 4.28Å; F840-I868 HydrophobicContact CD1-CD1 3.7Å; F840-I868 HydrophobicContact CD2-CD1 4.01Å; F840-I868 HydrophobicContact CE1-CD1 3.92Å; F840-I868 HydrophobicContact CE2-CD1 4.24Å; F840-I868 HydrophobicContact CG-CD1 3.74Å; F840-I868 HydrophobicContact CZ-CD1 4.19Å; V854-I868 CarbonylContact C-O 3.55Å; V854-I868 WeakPolarHBondContact CA-O 3.42Å; L855-I868 PolarHBondContact N-O 2.99Å; L855-I868 PolarHBondContact O-N 2.96Å; S857-I868 WeakPolarHBondContact OG-CD1 3.32Å; I868-S870 PolarHBondContact O-N 3.4Å; I868-M917 HydrophobicContact CG2-CB 4.03Å; I868-M917 HydrophobicContact CG2-CG 4.49Å; I868-M917 HydrophobicContact CG2-SD 4.45Å; I868-F918 CarbonylContact C-O 3.59Å; I868-F918 VanDerWaalsContact CA-O 3.28Å; I868-F918 WeakPolarHBondContact CA-O 3.49Å; I868-V919 HydrophobicContact CD1-CG2 4.37Å; I868-V919 HydrophobicContact CG1-CG1 4.44Å; I868-V919 HydrophobicContact CG1-CG2 4.3Å
869	K	94.9	Very high	91	Very high	29 Å²	29	47.2 Å²	47.2	13%	0.126	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	106.3	171.2	-173	-176.9	-174.6	178.9	0	108.7	V854 L871 E888 M917 F918 M920 D983	V854-K869 HydrophobicContact CG2-CB 4.38Å; V854-K869 HydrophobicContact CG2-CG 4.34Å; K869-L871 HydrophobicContact CD-CD1 4.35Å; K869-L871 HydrophobicContact CG-CD1 3.96Å; K869-E888 IonicContact NZ-OE1 2.64Å; K869-E888 PolarHBondContact NZ-OE1 3.19Å; K869-E888 IonicContact NZ-OE2 3.45Å; K869-M917 WeakPolarHBondContact O-CA 3.44Å; K869-F918 HydrophobicContact CB-CB 4.3Å; K869-F918 HydrophobicContact CD-CD2 4.45Å; K869-F918 PolarHBondContact N-O 3.42Å; K869-F918 PolarHBondContact O-N 3.01Å; K869-M920 HydrophobicContact CB-CE 3.73Å; K869-M920 HydrophobicContact CB-SD 4.46Å; K869-D983 IonicContact NZ-OD1 2.79Å; K869-D983 PolarHBondContact NZ-OD1 3.38Å
870	S	94.3	Very high	90.7	Very high	5 Å²	5	52.9 Å²	52.9	4%	0.035	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.6	179.8	-179.2	0	0	0	0	111.3	G852 K853 I868 M917 L1140	G852-S870 CarbonylContact C-O 3.51Å; G852-S870 WeakPolarHBondContact CA-O 3.27Å; K853-S870 PolarHBondContact N-O 3.11Å; K853-S870 PolarHBondContact O-N 3.37Å; I868-S870 PolarHBondContact O-N 3.4Å; S870-M917 WeakPolarHBondContact CB-SD 3.41Å; S870-M917 WeakPolarHBondContact OG-CE 3.46Å; S870-M917 PolarHBondContact OG-SD 3.44Å; S870-L1140 VanDerWaalsContact OG-CD2 3.31Å; S870-L1140 WeakPolarHBondContact OG-CD2 3.45Å
871	L	93.1	Very high	90.7	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.052	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.4	177.4	-49	88.1	0	0	0	111.1	F851 K869 I876 L885 H915 V916 F918	F851-L871 HydrophobicContact CB-CB 4.41Å; F851-L871 HydrophobicContact CB-CD2 3.9Å; F851-L871 HydrophobicContact CB-CG 4.37Å; K869-L871 HydrophobicContact CD-CD1 4.35Å; K869-L871 HydrophobicContact CG-CD1 3.96Å; L871-I876 HydrophobicContact CB-CD1 3.85Å; L871-L885 HydrophobicContact CD1-CD1 4.39Å; L871-L885 HydrophobicContact CD2-CD1 4.27Å; L871-H915 CarbonylContact O-C 3.24Å; L871-H915 WeakPolarHBondContact O-CA 3.36Å; L871-H915 WeakPolarHBondContact O-CB 3.42Å; L871-V916 HydrophobicContact CB-CG2 3.9Å; L871-V916 HydrophobicContact CD1-CG2 4.25Å; L871-V916 PolarHBondContact N-O 2.9Å; L871-V916 PolarHBondContact O-N 3.45Å; L871-F918 HydrophobicContact CD1-CD2 3.66Å; L871-F918 HydrophobicContact CD1-CE2 3.65Å
872	K	91.5	Very high	91	Very high	54 Å²	54	45 Å²	45	24%	0.235	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	118.6	-178.8	-63.4	171.6	-179.2	173.1	0	111.2	F851 A874 E875 I876 T1141 T1143	F851-K872 PolarHBondContact O-N 3.29Å; K872-A874 VanDerWaalsContact C-N 3.25Å; K872-A874 PolarHBondContact O-N 3.47Å; K872-E875 HydrophobicContact CB-CB 4.23Å; K872-E875 PolarHBondContact O-N 3.27Å; K872-I876 PolarHBondContact O-N 3.45Å; K872-T1141 WeakPolarHBondContact CE-O 3.37Å; K872-T1141 VanDerWaalsContact NZ-CG2 3.35Å; K872-T1143 HydrophobicContact CB-CG2 4.1Å; K872-T1143 HydrophobicContact CD-CG2 4.16Å; K872-T1143 HydrophobicContact CG-CG2 3.93Å
873	K	92	Very high	91.2	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.013	23%	0.229	C	C	.	.	H	α-helix	trans	-52.5	-43.3	178.7	-73.6	179.6	162.6	-178.6	0	112.6	E875 I876 I877 T912 E914 V916 L1149 F1157	K873-E875 VanDerWaalsContact C-N 3.28Å; K873-E875 PolarHBondContact O-N 2.88Å; K873-I876 PolarHBondContact O-N 2.89Å; K873-I877 PolarHBondContact O-N 3.21Å; K873-T912 WeakPolarHBondContact CE-O 3.38Å; K873-T912 PolarHBondContact NZ-O 2.86Å; K873-E914 WeakPolarHBondContact CB-O 3.48Å; K873-E914 PolarHBondContact N-O 3.45Å; K873-V916 HydrophobicContact CD-CG1 4.47Å; K873-V916 HydrophobicContact CG-CG1 3.92Å; K873-L1149 HydrophobicContact CB-CD1 3.45Å; K873-L1149 VanDerWaalsContact CB-CD1 3.45Å; K873-L1149 HydrophobicContact CD-CD1 4.28Å; K873-F1157 HydrophobicContact CB-CD2 4.37Å; K873-F1157 HydrophobicContact CB-CE2 3.63Å; K873-F1157 HydrophobicContact CB-CZ 3.72Å; K873-F1157 HydrophobicContact CD-CD2 3.72Å; K873-F1157 HydrophobicContact CD-CE2 3.85Å; K873-F1157 HydrophobicContact CD-CG 4.22Å; K873-F1157 HydrophobicContact CD-CZ 4.46Å; K873-F1157 HydrophobicContact CG-CD1 4.38Å; K873-F1157 HydrophobicContact CG-CD2 3.92Å; K873-F1157 HydrophobicContact CG-CE1 4.14Å; K873-F1157 HydrophobicContact CG-CE2 3.63Å; K873-F1157 HydrophobicContact CG-CG 4.28Å; K873-F1157 HydrophobicContact CG-CZ 3.75Å
874	A	89.2	Confident	91.3	Very high	9 Å²	9	46 Å²	46	7%	0.074	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-20.1	-179.4	0	0	0	0	0	114.5	K872 F878 R1146 L1149	K872-A874 VanDerWaalsContact C-N 3.25Å; K872-A874 PolarHBondContact O-N 3.47Å; A874-F878 VanDerWaalsContact O-CB 3.3Å; A874-F878 WeakPolarHBondContact O-CB 3.43Å; A874-F878 PolarHBondContact O-N 3.47Å; A874-R1146 PolarHBondContact O-NH1 3.32Å; A874-L1149 HydrophobicContact CB-CD2 4Å; A874-L1149 HydrophobicContact CB-CG 4.31Å
875	E	87.9	Confident	91.3	Very high	36 Å²	36	41.2 Å²	41.2	17%	0.168	20%	0.203	C	C	.	.	H	α-helix	trans	-83.3	-38.8	172.2	-171.8	65.6	-172.3	0	0	111.3	H850 F851 K872 K873 F878 R879 R1146	H850-E875 IonicContact CE1-OE1 3.83Å; F851-E875 HydrophobicContact CD1-CG 4.15Å; K872-E875 HydrophobicContact CB-CB 4.23Å; K872-E875 PolarHBondContact O-N 3.27Å; K873-E875 VanDerWaalsContact C-N 3.28Å; K873-E875 PolarHBondContact O-N 2.88Å; E875-F878 PolarHBondContact O-N 2.89Å; E875-R879 WeakPolarHBondContact O-CG 3.15Å; E875-R879 PolarHBondContact O-N 3.24Å; E875-R879 VanDerWaalsContact O-N 3.17Å; E875-R879 IonicContact OE1-CZ 2.66Å; E875-R879 IonicContact OE1-NE 2.68Å; E875-R879 PolarHBondContact OE1-NE 2.89Å; E875-R879 IonicContact OE1-NH2 2.77Å; E875-R879 PolarHBondContact OE1-NH2 3.47Å; E875-R1146 IonicContact OE2-CZ 3.44Å; E875-R1146 IonicContact OE2-NH1 3Å; E875-R1146 PolarHBondContact OE2-NH1 3.31Å; E875-R1146 IonicContact OE2-NH2 3.86Å; E875-R1146 PolarHBondContact OE2-NH2 3.39Å
876	I	89.7	Confident	91.2	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-46.8	177.5	-63.2	160.9	0	0	0	110.9	L871 K872 K873 R879 N880 E881 V882 L885 V916 F1157	L871-I876 HydrophobicContact CB-CD1 3.85Å; K872-I876 PolarHBondContact O-N 3.45Å; K873-I876 PolarHBondContact O-N 2.89Å; I876-R879 PolarHBondContact O-N 3.46Å; I876-N880 PolarHBondContact O-N 3.35Å; I876-N880 VanDerWaalsContact O-N 3.13Å; I876-E881 HydrophobicContact CG2-CB 4.29Å; I876-E881 PolarHBondContact O-N 3.35Å; I876-V882 HydrophobicContact CG2-CB 4.49Å; I876-V882 HydrophobicContact CG2-CG2 3.95Å; I876-L885 HydrophobicContact CD1-CD1 4.11Å; I876-L885 HydrophobicContact CD1-CD2 4.19Å; I876-L885 HydrophobicContact CG2-CB 4.48Å; I876-V916 HydrophobicContact CD1-CG2 3.69Å; I876-F1157 HydrophobicContact CB-CZ 4.5Å; I876-F1157 HydrophobicContact CD1-CE1 4.5Å; I876-F1157 HydrophobicContact CG2-CE1 4.28Å; I876-F1157 HydrophobicContact CG2-CZ 4.44Å
877	I	89.9	Confident	91.1	Very high	41 Å²	41	41.9 Å²	41.9	21%	0.21	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-46.8	176.3	-70.3	158.8	0	0	0	111.3	K873 R879 N880 V882 L1149 D1153 F1157	K873-I877 PolarHBondContact O-N 3.21Å; I877-R879 PolarHBondContact O-N 3Å; I877-R879 VanDerWaalsContact O-N 3.1Å; I877-N880 PolarHBondContact O-N 2.95Å; I877-V882 HydrophobicContact CG1-CG2 4.22Å; I877-L1149 HydrophobicContact CD1-CD1 3.76Å; I877-L1149 HydrophobicContact CD1-CD2 3.69Å; I877-L1149 HydrophobicContact CD1-CG 4.34Å; I877-D1153 HydrophobicContact CD1-CB 3.79Å; I877-F1157 HydrophobicContact CD1-CE2 3.59Å; I877-F1157 HydrophobicContact CD1-CZ 3.99Å; I877-F1157 HydrophobicContact CG1-CE2 4.04Å; I877-F1157 HydrophobicContact CG1-CZ 3.95Å
878	F	86.3	Confident	91.1	Very high	117 Å²	117	41.9 Å²	41.9	51%	0.513	21%	0.209	S	C	.	.	H	α-helix	trans	-58.6	-27.2	-178.8	175.8	-99.3	0	0	0	113.1	A874 E875 R1146	A874-F878 VanDerWaalsContact O-CB 3.3Å; A874-F878 WeakPolarHBondContact O-CB 3.43Å; A874-F878 PolarHBondContact O-N 3.47Å; E875-F878 PolarHBondContact O-N 2.89Å; F878-R1146 VanDerWaalsContact CG-CZ 3.44Å
879	R	85.4	Confident	91	Very high	99 Å²	99	42.7 Å²	42.7	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-96.4	-5.7	177.5	-68.7	175.6	173.1	-112.3	-12.6	114.6	H850 E875 I876 I877 E881	H850-R879 PolarHBondContact CE1-NH1 3.36Å; H850-R879 PolarHBondContact CE1-NH2 2.88Å; H850-R879 PolarHBondContact NE2-NH2 3.32Å; E875-R879 WeakPolarHBondContact O-CG 3.15Å; E875-R879 PolarHBondContact O-N 3.24Å; E875-R879 VanDerWaalsContact O-N 3.17Å; E875-R879 IonicContact OE1-CZ 2.66Å; E875-R879 IonicContact OE1-NE 2.68Å; E875-R879 PolarHBondContact OE1-NE 2.89Å; E875-R879 IonicContact OE1-NH2 2.77Å; E875-R879 PolarHBondContact OE1-NH2 3.47Å; I876-R879 PolarHBondContact O-N 3.46Å; I877-R879 PolarHBondContact O-N 3Å; I877-R879 VanDerWaalsContact O-N 3.1Å; R879-E881 VanDerWaalsContact C-N 3.35Å; R879-E881 HydrophobicContact CB-CB 4.39Å; R879-E881 VanDerWaalsContact CB-CD 3.47Å; R879-E881 HydrophobicContact CB-CG 3.79Å; R879-E881 WeakPolarHBondContact CD-OE2 3.17Å
880	N	88.1	Confident	91	Very high	134 Å²	134	46.8 Å²	46.8	72%	0.717	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	44.2	-173	-161.7	84.4	0	0	0	112.5	I876 I877	I876-N880 PolarHBondContact O-N 3.35Å; I876-N880 VanDerWaalsContact O-N 3.13Å; I877-N880 PolarHBondContact O-N 2.95Å
881	E	89.7	Confident	91.1	Very high	52 Å²	52	46.5 Å²	46.5	24%	0.243	23%	0.225	C	C	.	.			trans	-108.3	16.6	-176.4	-72.2	168.7	178.4	0	0	113	F851 I876 R879 D883 T884 L885	F851-E881 WeakPolarHBondContact CE1-OE2 3.49Å; F851-E881 WeakPolarHBondContact CZ-OE2 3.47Å; I876-E881 HydrophobicContact CG2-CB 4.29Å; I876-E881 PolarHBondContact O-N 3.35Å; R879-E881 VanDerWaalsContact C-N 3.35Å; R879-E881 HydrophobicContact CB-CB 4.39Å; R879-E881 VanDerWaalsContact CB-CD 3.47Å; R879-E881 HydrophobicContact CB-CG 3.79Å; R879-E881 WeakPolarHBondContact CD-OE2 3.17Å; E881-D883 VanDerWaalsContact C-N 3.33Å; E881-D883 PolarHBondContact O-N 2.91Å; E881-T884 WeakPolarHBondContact O-CB 3.47Å; E881-T884 PolarHBondContact O-N 2.93Å; E881-L885 PolarHBondContact O-N 3.11Å
882	V	91.8	Very high	91.2	Very high	22 Å²	22	46 Å²	46	13%	0.133	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-44.1	177.9	177	0	0	0	0	111.1	I876 I877 T884 L885 L886 N1156 F1157	I876-V882 HydrophobicContact CG2-CB 4.49Å; I876-V882 HydrophobicContact CG2-CG2 3.95Å; I877-V882 HydrophobicContact CG1-CG2 4.22Å; V882-T884 VanDerWaalsContact C-N 3.3Å; V882-T884 PolarHBondContact O-N 2.94Å; V882-L885 WeakPolarHBondContact O-CB 3.39Å; V882-L885 PolarHBondContact O-N 3.39Å; V882-L886 HydrophobicContact CG1-CD1 4.1Å; V882-L886 HydrophobicContact CG1-CG 4.47Å; V882-L886 WeakPolarHBondContact O-CG 3.32Å; V882-L886 PolarHBondContact O-N 3.36Å; V882-N1156 HydrophobicContact CG1-CB 4.13Å; V882-N1156 HydrophobicContact CG2-CB 4.4Å; V882-F1157 HydrophobicContact CG2-CZ 4.43Å
883	D	90.3	Very high	91.4	Very high	114 Å²	114	45.4 Å²	45.4	61%	0.61	22%	0.221	S	C	*	.	H	α-helix	trans	-64.4	-35.4	178.1	-63	-40.3	0	0	0	112.2	E881 L886 T887	E881-D883 VanDerWaalsContact C-N 3.33Å; E881-D883 PolarHBondContact O-N 2.91Å; D883-L886 PolarHBondContact O-N 2.9Å; D883-T887 VanDerWaalsContact O-CB 3.28Å; D883-T887 WeakPolarHBondContact O-CB 3.35Å; D883-T887 PolarHBondContact O-N 3.42Å; D883-T887 PolarHBondContact O-OG1 3.24Å
884	T	90.1	Very high	91.5	Very high	67 Å²	67	47.6 Å²	47.6	41%	0.411	23%	0.232	S	C	.	.	H	α-helix	trans	-64.4	-46	174.8	-48.5	0	0	0	0	110.8	E881 V882 L886 T887 E888 G985	E881-T884 WeakPolarHBondContact O-CB 3.47Å; E881-T884 PolarHBondContact O-N 2.93Å; V882-T884 VanDerWaalsContact C-N 3.3Å; V882-T884 PolarHBondContact O-N 2.94Å; T884-L886 PolarHBondContact O-N 3.04Å; T884-T887 WeakPolarHBondContact O-CB 3.09Å; T884-T887 PolarHBondContact O-N 3.05Å; T884-E888 PolarHBondContact O-N 3.13Å; T884-G985 VanDerWaalsContact CG2-O 3.25Å; T884-G985 WeakPolarHBondContact CG2-O 3.42Å
885	L	92.6	Very high	91.8	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-45.4	175.2	178.6	84.3	0	0	0	112	L871 I876 E881 V882 T887 E888 K889 V916 F918 F1157 F1160	L871-L885 HydrophobicContact CD1-CD1 4.39Å; L871-L885 HydrophobicContact CD2-CD1 4.27Å; I876-L885 HydrophobicContact CD1-CD1 4.11Å; I876-L885 HydrophobicContact CD1-CD2 4.19Å; I876-L885 HydrophobicContact CG2-CB 4.48Å; E881-L885 PolarHBondContact O-N 3.11Å; V882-L885 WeakPolarHBondContact O-CB 3.39Å; V882-L885 PolarHBondContact O-N 3.39Å; L885-T887 VanDerWaalsContact C-N 3.32Å; L885-E888 PolarHBondContact O-N 3.28Å; L885-K889 PolarHBondContact O-N 2.84Å; L885-V916 HydrophobicContact CD1-CG2 3.86Å; L885-V916 HydrophobicContact CD2-CB 4.5Å; L885-V916 HydrophobicContact CD2-CG1 4.31Å; L885-V916 HydrophobicContact CD2-CG2 3.96Å; L885-F918 HydrophobicContact CD1-CE2 3.56Å; L885-F918 HydrophobicContact CD1-CZ 3.72Å; L885-F918 HydrophobicContact CG-CZ 4.32Å; L885-F1157 HydrophobicContact CD2-CD1 3.88Å; L885-F1157 HydrophobicContact CD2-CE1 3.77Å; L885-F1160 HydrophobicContact CD1-CE2 4.07Å; L885-F1160 HydrophobicContact CD2-CD2 3.79Å; L885-F1160 HydrophobicContact CD2-CE2 3.83Å; L885-F1160 HydrophobicContact CG-CD2 4.26Å; L885-F1160 HydrophobicContact CG-CE2 3.9Å
886	L	92.7	Very high	92.2	Very high	42 Å²	42	45.5 Å²	45.5	22%	0.22	22%	0.221	C	C	.	.	H	α-helix	trans	-69.6	-31.7	179.5	-66.3	176	0	0	0	111.8	V882 D883 T884 R890	V882-L886 HydrophobicContact CG1-CD1 4.1Å; V882-L886 HydrophobicContact CG1-CG 4.47Å; V882-L886 WeakPolarHBondContact O-CG 3.32Å; V882-L886 PolarHBondContact O-N 3.36Å; D883-L886 PolarHBondContact O-N 2.9Å; T884-L886 PolarHBondContact O-N 3.04Å; L886-R890 WeakPolarHBondContact O-CG 3.34Å; L886-R890 PolarHBondContact O-N 2.84Å
887	T	92.5	Very high	92.4	Very high	26 Å²	26	50.2 Å²	50.2	16%	0.16	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-47.4	171.5	-59.6	0	0	0	0	111	D883 T884 L885 K889 R890 I891 E989	D883-T887 VanDerWaalsContact O-CB 3.28Å; D883-T887 WeakPolarHBondContact O-CB 3.35Å; D883-T887 PolarHBondContact O-N 3.42Å; D883-T887 PolarHBondContact O-OG1 3.24Å; T884-T887 WeakPolarHBondContact O-CB 3.09Å; T884-T887 PolarHBondContact O-N 3.05Å; L885-T887 VanDerWaalsContact C-N 3.32Å; T887-K889 VanDerWaalsContact C-N 3.3Å; T887-K889 PolarHBondContact O-N 3.46Å; T887-R890 PolarHBondContact O-N 2.87Å; T887-R890 VanDerWaalsContact O-N 3.14Å; T887-R890 PolarHBondContact OG1-NH2 3.14Å; T887-I891 HydrophobicContact CG2-CD1 3.86Å; T887-I891 HydrophobicContact CG2-CG1 4.47Å; T887-I891 WeakPolarHBondContact O-CG1 3.41Å; T887-I891 PolarHBondContact O-N 3.21Å; T887-E989 HydrophobicContact CG2-CG 4.14Å
888	E	94.7	Very high	92.6	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-56.1	-44.1	174.1	-175.9	178.2	-171.5	0	0	111.3	K869 T884 L885 I891 L892 F918 F984	K869-E888 IonicContact NZ-OE1 2.64Å; K869-E888 PolarHBondContact NZ-OE1 3.19Å; K869-E888 IonicContact NZ-OE2 3.45Å; T884-E888 PolarHBondContact O-N 3.13Å; L885-E888 PolarHBondContact O-N 3.28Å; E888-I891 PolarHBondContact O-N 2.89Å; E888-L892 HydrophobicContact CG-CD1 4.14Å; E888-L892 WeakPolarHBondContact O-CB 3.5Å; E888-L892 WeakPolarHBondContact O-CG 3.49Å; E888-L892 PolarHBondContact O-N 3.31Å; E888-F918 HydrophobicContact CG-CZ 4.42Å; E888-F984 HydrophobicContact CG-CB 4.27Å
889	K	94.7	Very high	92.9	Very high	16 Å²	16	50.3 Å²	50.3	7%	0.07	26%	0.255	C	S	.	.	H	α-helix	trans	-56.7	-51.8	172.9	177.8	-180	166.4	174.7	0	112.3	L885 T887 I891 L892 Q893 F918 N1159 F1160 D1161	L885-K889 PolarHBondContact O-N 2.84Å; T887-K889 VanDerWaalsContact C-N 3.3Å; T887-K889 PolarHBondContact O-N 3.46Å; K889-I891 VanDerWaalsContact C-N 3.34Å; K889-I891 PolarHBondContact O-N 3.47Å; K889-L892 PolarHBondContact O-N 3.25Å; K889-Q893 HydrophobicContact CG-CG 4.48Å; K889-Q893 VanDerWaalsContact O-CG 3.31Å; K889-Q893 WeakPolarHBondContact O-CG 3.41Å; K889-Q893 PolarHBondContact O-N 3.03Å; K889-F918 HydrophobicContact CB-CE1 3.87Å; K889-F918 HydrophobicContact CB-CZ 4.42Å; K889-N1159 PolarHBondContact NZ-O 3.28Å; K889-F1160 HydrophobicContact CD-CD2 4.47Å; K889-F1160 WeakPolarHBondContact CD-O 3.48Å; K889-F1160 WeakPolarHBondContact CE-O 3.37Å; K889-F1160 PolarHBondContact NZ-O 3.11Å; K889-D1161 PolarHBondContact NZ-O 3.25Å
890	R	95	Very high	93.4	Very high	115 Å²	115	46.4 Å²	46.4	43%	0.434	24%	0.241	S	C	.	.	H	α-helix	trans	-61.4	-42.4	-178.1	-74	-167.4	-57.1	-109.1	-4.9	112.1	L886 T887 Q893 I894 E989	L886-R890 WeakPolarHBondContact O-CG 3.34Å; L886-R890 PolarHBondContact O-N 2.84Å; T887-R890 PolarHBondContact O-N 2.87Å; T887-R890 VanDerWaalsContact O-N 3.14Å; T887-R890 PolarHBondContact OG1-NH2 3.14Å; R890-Q893 WeakPolarHBondContact O-CB 3.39Å; R890-Q893 PolarHBondContact O-N 3.48Å; R890-I894 WeakPolarHBondContact O-CG1 3.49Å; R890-I894 PolarHBondContact O-N 3.24Å; R890-E989 IonicContact CZ-OE2 3.19Å; R890-E989 IonicContact NE-OE1 3.65Å; R890-E989 IonicContact NE-OE2 2.78Å; R890-E989 PolarHBondContact NE-OE2 3.05Å; R890-E989 IonicContact NH2-OE2 2.79Å; R890-E989 PolarHBondContact NH2-OE2 2.97Å
891	I	96	Very high	93.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-47.2	178.4	-68.2	174.4	0	0	0	110.5	T887 E888 K889 Q893 I894 I895 L956 I961 F984 C987 E989	T887-I891 HydrophobicContact CG2-CD1 3.86Å; T887-I891 HydrophobicContact CG2-CG1 4.47Å; T887-I891 WeakPolarHBondContact O-CG1 3.41Å; T887-I891 PolarHBondContact O-N 3.21Å; E888-I891 PolarHBondContact O-N 2.89Å; K889-I891 VanDerWaalsContact C-N 3.34Å; K889-I891 PolarHBondContact O-N 3.47Å; I891-Q893 VanDerWaalsContact C-N 3.3Å; I891-Q893 PolarHBondContact O-N 2.85Å; I891-I894 PolarHBondContact O-N 3.4Å; I891-I895 HydrophobicContact CG2-CD1 3.9Å; I891-I895 VanDerWaalsContact O-CG1 3.3Å; I891-I895 WeakPolarHBondContact O-CG1 3.48Å; I891-I895 PolarHBondContact O-N 3.35Å; I891-L956 HydrophobicContact CG2-CD2 4.48Å; I891-I961 HydrophobicContact CD1-CG2 3.84Å; I891-I961 HydrophobicContact CG1-CD1 4.01Å; I891-I961 HydrophobicContact CG1-CG1 4.45Å; I891-I961 HydrophobicContact CG1-CG2 4.32Å; I891-I961 HydrophobicContact CG2-CD1 4.23Å; I891-I961 HydrophobicContact CG2-CG2 4.39Å; I891-F984 HydrophobicContact CG2-CB 4.13Å; I891-F984 HydrophobicContact CG2-CD1 4.06Å; I891-F984 HydrophobicContact CG2-CG 4.21Å; I891-C987 HydrophobicContact CD1-CB 3.34Å; I891-E989 HydrophobicContact CD1-CG 3.91Å; I891-E989 HydrophobicContact CG1-CG 3.72Å
892	L	95.5	Very high	94.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-36.4	175	-81	171.1	0	0	0	113	E888 K889 I895 T896 I904 L906 F918 F984	E888-L892 HydrophobicContact CG-CD1 4.14Å; E888-L892 WeakPolarHBondContact O-CB 3.5Å; E888-L892 WeakPolarHBondContact O-CG 3.49Å; E888-L892 PolarHBondContact O-N 3.31Å; K889-L892 PolarHBondContact O-N 3.25Å; L892-I895 PolarHBondContact O-N 3.35Å; L892-T896 PolarHBondContact O-N 3.14Å; L892-T896 PolarHBondContact O-OG1 3.49Å; L892-I904 WeakPolarHBondContact CD2-O 3.43Å; L892-L906 HydrophobicContact CB-CB 3.82Å; L892-L906 HydrophobicContact CB-CD2 3.71Å; L892-L906 HydrophobicContact CB-CG 4.32Å; L892-L906 HydrophobicContact CD1-CD1 4.47Å; L892-L906 HydrophobicContact CD2-CB 4.32Å; L892-L906 HydrophobicContact CG-CB 4.47Å; L892-F918 HydrophobicContact CD1-CD1 3.89Å; L892-F918 HydrophobicContact CD1-CE1 4.15Å; L892-F984 HydrophobicContact CD2-CD2 3.51Å; L892-F984 HydrophobicContact CD2-CE2 3.78Å; L892-F984 HydrophobicContact CD2-CG 4.48Å; L892-F984 HydrophobicContact CG-CD2 4.08Å
893	Q	94.9	Very high	94.4	Very high	41 Å²	41	37.5 Å²	37.5	19%	0.192	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-46.1	172.6	-69.7	174	-54.4	0	0	111.8	K889 R890 I891 I895 T896 D897 L906 Y1162	K889-Q893 HydrophobicContact CG-CG 4.48Å; K889-Q893 VanDerWaalsContact O-CG 3.31Å; K889-Q893 WeakPolarHBondContact O-CG 3.41Å; K889-Q893 PolarHBondContact O-N 3.03Å; R890-Q893 WeakPolarHBondContact O-CB 3.39Å; R890-Q893 PolarHBondContact O-N 3.48Å; I891-Q893 VanDerWaalsContact C-N 3.3Å; I891-Q893 PolarHBondContact O-N 2.85Å; Q893-I895 PolarHBondContact O-N 2.84Å; Q893-T896 PolarHBondContact O-N 2.94Å; Q893-D897 WeakPolarHBondContact O-CB 3.37Å; Q893-D897 VanDerWaalsContact O-CG 3.24Å; Q893-D897 PolarHBondContact O-N 2.82Å; Q893-L906 HydrophobicContact CG-CD2 4.2Å; Q893-Y1162 HydrophobicContact CG-CD1 4.14Å; Q893-Y1162 HydrophobicContact CG-CD2 4.43Å; Q893-Y1162 HydrophobicContact CG-CE1 3.91Å; Q893-Y1162 HydrophobicContact CG-CE2 4.18Å; Q893-Y1162 HydrophobicContact CG-CG 4.4Å; Q893-Y1162 VanDerWaalsContact NE2-CE2 3.35Å; Q893-Y1162 VanDerWaalsContact NE2-CG 3.32Å
894	I	95.1	Very high	94.7	Very high	49 Å²	49	32.2 Å²	32.2	25%	0.251	17%	0.168	S	C	.	.	H	α-helix	trans	-60	-35.8	176.8	-67.4	162.9	0	0	0	111.7	R890 I891 A898 F955 K959 I961	R890-I894 WeakPolarHBondContact O-CG1 3.49Å; R890-I894 PolarHBondContact O-N 3.24Å; I891-I894 PolarHBondContact O-N 3.4Å; I894-A898 PolarHBondContact O-N 2.83Å; I894-F955 HydrophobicContact CG2-CE1 4.45Å; I894-F955 HydrophobicContact CG2-CZ 4.21Å; I894-K959 HydrophobicContact CG2-CB 4.33Å; I894-K959 HydrophobicContact CG2-CD 3.95Å; I894-K959 HydrophobicContact CG2-CG 3.81Å; I894-I961 HydrophobicContact CD1-CD1 4.3Å
895	I	96	Very high	94.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.6	-52.2	175.5	-68.6	166.2	0	0	0	110.6	I891 L892 Q893 D897 A898 Q899 L903 F955 L956 F984	I891-I895 HydrophobicContact CG2-CD1 3.9Å; I891-I895 VanDerWaalsContact O-CG1 3.3Å; I891-I895 WeakPolarHBondContact O-CG1 3.48Å; I891-I895 PolarHBondContact O-N 3.35Å; L892-I895 PolarHBondContact O-N 3.35Å; Q893-I895 PolarHBondContact O-N 2.84Å; I895-D897 VanDerWaalsContact C-N 3.34Å; I895-D897 PolarHBondContact O-N 2.86Å; I895-A898 CarbonylContact O-C 3.44Å; I895-A898 PolarHBondContact O-N 2.94Å; I895-A898 VanDerWaalsContact O-N 3.12Å; I895-Q899 PolarHBondContact O-N 3.25Å; I895-L903 HydrophobicContact CD1-CB 4.34Å; I895-L903 HydrophobicContact CD1-CD1 4.08Å; I895-L903 HydrophobicContact CG1-CB 4.48Å; I895-L903 HydrophobicContact CG1-CD1 3.84Å; I895-L903 HydrophobicContact CG2-CB 3.53Å; I895-L903 HydrophobicContact CG2-CD1 4.18Å; I895-L903 HydrophobicContact CG2-CG 4.5Å; I895-F955 HydrophobicContact CG1-CE1 3.99Å; I895-L956 HydrophobicContact CD1-CD2 4.18Å; I895-L956 HydrophobicContact CG1-CD2 4.36Å; I895-F984 HydrophobicContact CD1-CD1 3.83Å; I895-F984 HydrophobicContact CD1-CD2 4.21Å; I895-F984 HydrophobicContact CD1-CE1 3.46Å; I895-F984 VanDerWaalsContact CD1-CE1 3.46Å; I895-F984 HydrophobicContact CD1-CE2 3.86Å; I895-F984 HydrophobicContact CD1-CG 4.21Å; I895-F984 HydrophobicContact CD1-CZ 3.49Å; I895-F984 VanDerWaalsContact CD1-CZ 3.49Å
896	T	94.6	Very high	95.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.1	-42.8	178.1	-64.3	0	0	0	0	112.1	L892 Q893 A898 Q899 L906 S1164 V1167	L892-T896 PolarHBondContact O-N 3.14Å; L892-T896 PolarHBondContact O-OG1 3.49Å; Q893-T896 PolarHBondContact O-N 2.94Å; T896-A898 PolarHBondContact O-N 2.87Å; T896-Q899 WeakPolarHBondContact O-CG 3.39Å; T896-Q899 PolarHBondContact O-N 2.91Å; T896-L906 WeakPolarHBondContact CG2-O 3.25Å; T896-L906 WeakPolarHBondContact OG1-CA 3.49Å; T896-L906 PolarHBondContact OG1-N 2.83Å; T896-L906 PolarHBondContact OG1-O 2.97Å; T896-S1164 VanDerWaalsContact CG2-OG 3.32Å; T896-S1164 WeakPolarHBondContact CG2-OG 3.23Å; T896-V1167 HydrophobicContact CG2-CG2 4.35Å
897	D	93.7	Very high	95.1	Very high	104 Å²	104	28 Å²	28	56%	0.556	14%	0.142	S	C	*	.	H	α-helix	trans	-63.1	-24.8	179.4	-73.2	-11.9	0	0	0	112.5	Q893 I895	Q893-D897 WeakPolarHBondContact O-CB 3.37Å; Q893-D897 VanDerWaalsContact O-CG 3.24Å; Q893-D897 PolarHBondContact O-N 2.82Å; I895-D897 VanDerWaalsContact C-N 3.34Å; I895-D897 PolarHBondContact O-N 2.86Å
898	A	94.2	Very high	95.1	Very high	47 Å²	47	26.8 Å²	26.8	39%	0.388	14%	0.135	S	C	.	.	H	α-helix	trans	-96.8	-7.9	174.8	0	0	0	0	0	114.1	I894 I895 T896 H900 F955	I894-A898 PolarHBondContact O-N 2.83Å; I895-A898 CarbonylContact O-C 3.44Å; I895-A898 PolarHBondContact O-N 2.94Å; I895-A898 VanDerWaalsContact O-N 3.12Å; T896-A898 PolarHBondContact O-N 2.87Å; A898-H900 PolarHBondContact O-N 3.12Å; A898-F955 HydrophobicContact CB-CD2 4.47Å; A898-F955 HydrophobicContact CB-CE2 3.33Å; A898-F955 HydrophobicContact CB-CZ 3.38Å
899	Q	93.8	Very high	95.1	Very high	113 Å²	113	26.4 Å²	26.4	53%	0.528	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	42.6	-175.4	-62.4	-175.7	-38.6	0	0	113.4	I895 T896 L1166	I895-Q899 PolarHBondContact O-N 3.25Å; T896-Q899 WeakPolarHBondContact O-CG 3.39Å; T896-Q899 PolarHBondContact O-N 2.91Å; Q899-L1166 PolarHBondContact NE2-O 3.41Å
900	H	95.6	Very high	95.1	Very high	16 Å²	16	25.7 Å²	25.7	7%	0.074	13%	0.131	C	C	.	.			trans	-66.9	122.8	-174.1	-169.1	-85.1	0	0	0	110.8	A898 F902 L903 L951 F955	A898-H900 PolarHBondContact O-N 3.12Å; H900-F902 VanDerWaalsContact C-N 3.3Å; H900-F902 PolarHBondContact ND1-N 2.88Å; H900-F902 PolarHBondContact O-N 3.02Å; H900-L903 HydrophobicContact CB-CB 4.43Å; H900-L903 HydrophobicContact CB-CD1 4.08Å; H900-L903 HydrophobicContact CB-CG 4.32Å; H900-L903 PolarHBondContact O-N 3.19Å; H900-L951 PolarHBondContact NE2-O 2.71Å; H900-F955 HydrophobicContact CB-CG 4.46Å; H900-F955 AromaticContact CD2-CD2 3.95Å; H900-F955 AromaticContact CD2-CG 3.8Å
901	P	96.2	Very high	95	Very high	21 Å²	21	22.5 Å²	22.5	14%	0.136	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-34.7	-166.4	22.8	-33.5	0	0	0	113	K980 L1108 Q1110	P901-K980 PolarHBondContact O-NZ 3.36Å; P901-L1108 HydrophobicContact CG-CD1 3.92Å; P901-Q1110 HydrophobicContact CB-CG 4.18Å
902	F	97.8	Very high	94.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	14	-175	-50.9	-45.6	0	0	0	115.3	H900 C948 L951 F978 V979 K980 M981 L1107 L1108 Q1110	H900-F902 VanDerWaalsContact C-N 3.3Å; H900-F902 PolarHBondContact ND1-N 2.88Å; H900-F902 PolarHBondContact O-N 3.02Å; F902-C948 HydrophobicContact CB-CB 4.34Å; F902-C948 HydrophobicContact CD1-CB 4.01Å; F902-C948 HydrophobicContact CD2-CB 4.02Å; F902-C948 HydrophobicContact CE1-CB 4.32Å; F902-C948 HydrophobicContact CE2-CB 4.31Å; F902-C948 HydrophobicContact CG-CB 3.85Å; F902-C948 HydrophobicContact CZ-CB 4.44Å; F902-L951 HydrophobicContact CD2-CB 4Å; F902-L951 HydrophobicContact CD2-CD1 4.17Å; F902-L951 HydrophobicContact CE2-CB 4.35Å; F902-L951 HydrophobicContact CE2-CD1 3.66Å; F902-F978 HydrophobicContact CD1-CB 4.36Å; F902-F978 HydrophobicContact CE1-CB 4.03Å; F902-F978 AromaticContact CE1-CD1 3.71Å; F902-F978 HydrophobicContact CE1-CD1 3.71Å; F902-F978 HydrophobicContact CE1-CG 4.16Å; F902-F978 HydrophobicContact CZ-CD1 4.3Å; F902-V979 WeakPolarHBondContact CA-O 3.21Å; F902-V979 WeakPolarHBondContact CB-O 3.45Å; F902-V979 VanDerWaalsContact CD1-O 3.28Å; F902-V979 WeakPolarHBondContact CD1-O 3.26Å; F902-K980 WeakPolarHBondContact O-CA 3.36Å; F902-M981 PolarHBondContact O-N 3.03Å; F902-L1107 HydrophobicContact CE2-CG 4.05Å; F902-L1107 HydrophobicContact CZ-CD1 4.15Å; F902-L1107 HydrophobicContact CZ-CG 3.89Å; F902-L1107 VanDerWaalsContact CZ-O 3.28Å; F902-L1107 WeakPolarHBondContact CZ-O 3.39Å; F902-L1108 HydrophobicContact CE2-CD1 4.49Å; F902-Q1110 HydrophobicContact CE1-CG 4.33Å
903	L	97.5	Very high	94.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-123.9	142.6	174.2	-59.6	177.7	0	0	0	108.4	I895 H900 N905 F955 L956 M981 F984	I895-L903 HydrophobicContact CD1-CB 4.34Å; I895-L903 HydrophobicContact CD1-CD1 4.08Å; I895-L903 HydrophobicContact CG1-CB 4.48Å; I895-L903 HydrophobicContact CG1-CD1 3.84Å; I895-L903 HydrophobicContact CG2-CB 3.53Å; I895-L903 HydrophobicContact CG2-CD1 4.18Å; I895-L903 HydrophobicContact CG2-CG 4.5Å; H900-L903 HydrophobicContact CB-CB 4.43Å; H900-L903 HydrophobicContact CB-CD1 4.08Å; H900-L903 HydrophobicContact CB-CG 4.32Å; H900-L903 PolarHBondContact O-N 3.19Å; L903-N905 PolarHBondContact O-N 3.1Å; L903-N905 PolarHBondContact O-ND2 2.83Å; L903-N905 VanDerWaalsContact O-ND2 3.16Å; L903-F955 HydrophobicContact CD1-CD1 3.46Å; L903-F955 VanDerWaalsContact CD1-CD1 3.46Å; L903-F955 HydrophobicContact CD1-CE1 4.04Å; L903-F955 HydrophobicContact CD1-CG 4.29Å; L903-L956 HydrophobicContact CD1-CD2 4.15Å; L903-L956 HydrophobicContact CD1-CG 4.19Å; L903-L956 HydrophobicContact CD2-CD1 4.44Å; L903-M981 HydrophobicContact CD2-CB 3.71Å; L903-M981 HydrophobicContact CD2-CG 3.92Å; L903-M981 HydrophobicContact CD2-SD 3.61Å; L903-F984 HydrophobicContact CB-CZ 4.15Å; L903-F984 HydrophobicContact CD2-CE1 4.17Å; L903-F984 HydrophobicContact CD2-CZ 4.11Å
904	I	96.4	Very high	94	Very high	4 Å²	4	35 Å²	35	2%	0.021	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-66.3	120.6	178.3	-71.7	-71.3	0	0	0	110.4	L892 M920 E921 A923 L972 K980 M981 A982 F984	L892-I904 WeakPolarHBondContact CD2-O 3.43Å; I904-M920 HydrophobicContact CG2-CB 3.75Å; I904-M920 HydrophobicContact CG2-CG 4.25Å; I904-M920 HydrophobicContact CG2-SD 4.15Å; I904-E921 HydrophobicContact CD1-CG 3.92Å; I904-E921 HydrophobicContact CG2-CG 4.25Å; I904-A923 HydrophobicContact CD1-CB 4.12Å; I904-L972 HydrophobicContact CD1-CD1 4.23Å; I904-K980 HydrophobicContact CD1-CB 3.65Å; I904-K980 HydrophobicContact CD1-CD 4.02Å; I904-K980 HydrophobicContact CD1-CG 4.44Å; I904-K980 HydrophobicContact CG1-CB 3.98Å; I904-M981 WeakPolarHBondContact CG1-O 3.34Å; I904-M981 PolarHBondContact N-O 3.2Å; I904-A982 HydrophobicContact CG1-CB 3.91Å; I904-F984 HydrophobicContact CB-CE2 4.39Å
905	N	94.6	Very high	93.8	Very high	17 Å²	17	33.1 Å²	33.1	9%	0.091	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-80.8	141.8	177.6	-67	-87.8	0	0	0	112	L903 M920 E921	L903-N905 PolarHBondContact O-N 3.1Å; L903-N905 PolarHBondContact O-ND2 2.83Å; L903-N905 VanDerWaalsContact O-ND2 3.16Å; N905-M920 WeakPolarHBondContact O-CA 3.39Å; N905-E921 HydrophobicContact CB-CG 4.43Å; N905-E921 PolarHBondContact N-OE1 3.09Å; N905-E921 PolarHBondContact ND2-OE1 2.99Å; N905-E921 PolarHBondContact O-N 3.23Å
906	L	94.9	Very high	93.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.3	174.5	173.1	73.2	0	0	0	110.6	L892 Q893 T896 A908 F918 M920 Y1162	L892-L906 HydrophobicContact CB-CB 3.82Å; L892-L906 HydrophobicContact CB-CD2 3.71Å; L892-L906 HydrophobicContact CB-CG 4.32Å; L892-L906 HydrophobicContact CD1-CD1 4.47Å; L892-L906 HydrophobicContact CD2-CB 4.32Å; L892-L906 HydrophobicContact CG-CB 4.47Å; Q893-L906 HydrophobicContact CG-CD2 4.2Å; T896-L906 WeakPolarHBondContact CG2-O 3.25Å; T896-L906 WeakPolarHBondContact OG1-CA 3.49Å; T896-L906 PolarHBondContact OG1-N 2.83Å; T896-L906 PolarHBondContact OG1-O 2.97Å; L906-A908 WeakPolarHBondContact CD1-O 3.28Å; L906-F918 HydrophobicContact CD1-CB 3.99Å; L906-F918 HydrophobicContact CD1-CD1 3.91Å; L906-F918 HydrophobicContact CD1-CG 4.48Å; L906-M920 HydrophobicContact CD1-CG 4.44Å; L906-Y1162 HydrophobicContact CD2-CD1 3.87Å; L906-Y1162 HydrophobicContact CD2-CE1 3.99Å; L906-Y1162 HydrophobicContact CG-CD1 4.36Å; L906-Y1162 HydrophobicContact CG-CE1 4.32Å
907	I	92.8	Very high	93.7	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-46.7	176.6	-64.1	89.4	0	0	0	110.5	Y866 V919 E921 S1164 V1167	Y866-I907 HydrophobicContact CD1-CD1 3.71Å; Y866-I907 HydrophobicContact CD1-CG1 4.06Å; Y866-I907 HydrophobicContact CE1-CB 4.41Å; Y866-I907 HydrophobicContact CE1-CD1 3.87Å; Y866-I907 HydrophobicContact CE1-CG1 3.76Å; Y866-I907 HydrophobicContact CE1-CG2 4.34Å; I907-V919 HydrophobicContact CB-CG1 4.35Å; I907-V919 PolarHBondContact N-O 3.28Å; I907-E921 HydrophobicContact CD1-CB 4.24Å; I907-S1164 WeakPolarHBondContact O-CB 2.99Å; I907-S1164 PolarHBondContact O-N 3.1Å; I907-V1167 HydrophobicContact CG1-CB 4.12Å; I907-V1167 HydrophobicContact CG1-CG1 3.71Å
908	A	93.7	Very high	93.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	153.7	-178	0	0	0	0	0	113.1	L835 L906 V919 Y1162 Y1163	L835-A908 HydrophobicContact CD2-CB 3.75Å; L906-A908 WeakPolarHBondContact CD1-O 3.28Å; A908-V919 HydrophobicContact CB-CB 4.16Å; A908-V919 HydrophobicContact CB-CG2 4.21Å; A908-V919 PolarHBondContact N-O 2.97Å; A908-V919 WeakPolarHBondContact O-CB 3.44Å; A908-V919 PolarHBondContact O-N 2.89Å; A908-Y1162 CarbonylContact C-O 3.51Å; A908-Y1162 VanDerWaalsContact CA-O 3.31Å; A908-Y1162 WeakPolarHBondContact CA-O 3.41Å; A908-Y1162 WeakPolarHBondContact CB-O 3.25Å; A908-Y1163 HydrophobicContact CB-CD2 3.78Å; A908-Y1163 HydrophobicContact CB-CE2 4.36Å
909	C	94.7	Very high	93.8	Very high	2 Å²	2	26 Å²	26	1%	0.014	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.1	162.4	-64.1	0	0	0	0	109.1	M917 F918 F1160 D1161 Y1162	C909-M917 VanDerWaalsContact CA-O 3.32Å; C909-M917 WeakPolarHBondContact CA-O 3.49Å; C909-F918 WeakPolarHBondContact SG-CD1 3.24Å; C909-F1160 HydrophobicContact CB-CD1 4.07Å; C909-F1160 HydrophobicContact CB-CE1 3.62Å; C909-F1160 HydrophobicContact CB-CZ 3.96Å; C909-F1160 WeakPolarHBondContact CB-O 3.4Å; C909-D1161 CarbonylContact O-C 3.57Å; C909-D1161 WeakPolarHBondContact O-CA 3.46Å; C909-Y1162 PolarHBondContact N-O 2.97Å; C909-Y1162 PolarHBondContact O-N 3.5Å
910	F	93.8	Very high	93.9	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.009	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	166.4	169.5	70	-85.8	0	0	0	110.4	L835 M837 F840 M917 V919 F1160	L835-F910 HydrophobicContact CB-CB 4.24Å; L835-F910 HydrophobicContact CB-CD1 4.33Å; L835-F910 HydrophobicContact CB-CG 4.32Å; L835-F910 HydrophobicContact CD2-CD1 3.78Å; L835-F910 HydrophobicContact CD2-CE1 4.09Å; L835-F910 HydrophobicContact CG-CD1 4.43Å; L835-F910 WeakPolarHBondContact O-CB 3.44Å; L835-F910 WeakPolarHBondContact O-CD2 3.38Å; M837-F910 HydrophobicContact CG-CE2 3.85Å; M837-F910 HydrophobicContact CG-CZ 4.04Å; M837-F910 HydrophobicContact SD-CE2 4.08Å; M837-F910 HydrophobicContact SD-CZ 3.67Å; F840-F910 HydrophobicContact CD2-CE1 4.45Å; F840-F910 HydrophobicContact CD2-CZ 4.29Å; F840-F910 AromaticContact CE2-CE1 3.79Å; F840-F910 HydrophobicContact CE2-CE1 3.79Å; F840-F910 HydrophobicContact CE2-CZ 4.06Å; F840-F910 HydrophobicContact CZ-CE1 4.49Å; F910-M917 HydrophobicContact CD1-CB 3.98Å; F910-M917 HydrophobicContact CD2-CB 4.34Å; F910-M917 HydrophobicContact CD2-CG 4.1Å; F910-M917 HydrophobicContact CE1-CB 3.75Å; F910-M917 HydrophobicContact CE1-CG 4.18Å; F910-M917 HydrophobicContact CE2-CB 4.11Å; F910-M917 HydrophobicContact CE2-CG 3.65Å; F910-M917 HydrophobicContact CG-CB 4.29Å; F910-M917 HydrophobicContact CZ-CB 3.83Å; F910-M917 HydrophobicContact CZ-CG 3.71Å; F910-M917 PolarHBondContact N-O 3.22Å; F910-M917 VanDerWaalsContact N-O 3.12Å; F910-M917 WeakPolarHBondContact O-CB 3.44Å; F910-M917 PolarHBondContact O-N 3.22Å; F910-V919 HydrophobicContact CD1-CG2 3.9Å; F910-V919 HydrophobicContact CE1-CG2 3.52Å; F910-F1160 WeakPolarHBondContact O-CE1 3.46Å
911	Q	92.8	Very high	93.8	Very high	48 Å²	48	23 Å²	23	22%	0.224	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156.8	-175.3	68.7	-167.2	-74	0	0	113.4	H915 V916 F1157 F1160 D1161	Q911-H915 WeakPolarHBondContact CA-O 3.29Å; Q911-V916 HydrophobicContact CB-CG1 4.22Å; Q911-F1157 PolarHBondContact NE2-O 2.99Å; Q911-F1157 VanDerWaalsContact OE1-CB 3.32Å; Q911-F1157 PolarHBondContact OE1-O 2.71Å; Q911-F1160 HydrophobicContact CB-CD1 4.27Å; Q911-D1161 WeakPolarHBondContact CG-OD1 3.39Å; Q911-D1161 PolarHBondContact N-OD1 2.92Å; Q911-D1161 PolarHBondContact NE2-OD1 3.1Å
912	T	89.5	Confident	93.8	Very high	44 Å²	44	23.1 Å²	23.1	27%	0.27	11%	0.109	S	C	.	.			trans	-112.5	-175.1	167.1	76.3	0	0	0	0	109.1	M837 K873 E914 H915 M917	M837-T912 HydrophobicContact CG-CG2 4.41Å; K873-T912 WeakPolarHBondContact CE-O 3.38Å; K873-T912 PolarHBondContact NZ-O 2.86Å; T912-E914 PolarHBondContact O-N 3.43Å; T912-E914 PolarHBondContact OG1-N 3.16Å; T912-E914 VanDerWaalsContact OG1-N 3.16Å; T912-H915 PolarHBondContact N-O 2.98Å; T912-H915 PolarHBondContact OG1-N 2.91Å; T912-H915 PolarHBondContact OG1-ND1 2.84Å; T912-M917 HydrophobicContact CG2-CE 3.98Å
913	K	88.4	Confident	93.6	Very high	181 Å²	181	23.3 Å²	23.3	79%	0.787	11%	0.11	S	C	*	.	S	Bend	trans	-64	-26.5	171.1	-64.5	-171.8	177.2	-172.6	0	113	Q1154	K913-Q1154 PolarHBondContact O-NE2 2.85Å
914	E	88.3	Confident	93.5	Very high	78 Å²	78	25.2 Å²	25.2	36%	0.364	12%	0.119	S	C	.	.	S	Bend	trans	-112.6	-24.8	-172.3	-71.7	-173	-162.3	0	0	113.8	K873 T912 T1143	K873-E914 WeakPolarHBondContact CB-O 3.48Å; K873-E914 PolarHBondContact N-O 3.45Å; T912-E914 PolarHBondContact O-N 3.43Å; T912-E914 PolarHBondContact OG1-N 3.16Å; T912-E914 VanDerWaalsContact OG1-N 3.16Å; E914-T1143 HydrophobicContact CB-CG2 3.85Å; E914-T1143 HydrophobicContact CG-CG2 4.26Å; E914-T1143 VanDerWaalsContact CG-OG1 3.3Å; E914-T1143 WeakPolarHBondContact CG-OG1 3.43Å; E914-T1143 PolarHBondContact OE2-N 3.35Å; E914-T1143 PolarHBondContact OE2-OG1 3.32Å; E914-T1143 VanDerWaalsContact OE2-OG1 3.04Å
915	H	91.8	Very high	93.3	Very high	9 Å²	9	25.4 Å²	25.4	4%	0.042	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	158.8	-168.4	-53.1	84.4	0	0	0	112.8	L871 Q911 T912 M917 T1141	L871-H915 CarbonylContact O-C 3.24Å; L871-H915 WeakPolarHBondContact O-CA 3.36Å; L871-H915 WeakPolarHBondContact O-CB 3.42Å; Q911-H915 WeakPolarHBondContact CA-O 3.29Å; T912-H915 PolarHBondContact N-O 2.98Å; T912-H915 PolarHBondContact OG1-N 2.91Å; T912-H915 PolarHBondContact OG1-ND1 2.84Å; H915-M917 HydrophobicContact CB-CE 3.46Å; H915-M917 VanDerWaalsContact CB-CE 3.46Å; H915-M917 HydrophobicContact CB-SD 3.96Å; H915-T1141 PolarHBondContact NE2-O 3.23Å
916	V	93.6	Very high	93.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.9	162.9	-72	0	0	0	0	108.4	L871 K873 I876 L885 Q911 F1157 F1160	L871-V916 HydrophobicContact CB-CG2 3.9Å; L871-V916 HydrophobicContact CD1-CG2 4.25Å; L871-V916 PolarHBondContact N-O 2.9Å; L871-V916 PolarHBondContact O-N 3.45Å; K873-V916 HydrophobicContact CD-CG1 4.47Å; K873-V916 HydrophobicContact CG-CG1 3.92Å; I876-V916 HydrophobicContact CD1-CG2 3.69Å; L885-V916 HydrophobicContact CD1-CG2 3.86Å; L885-V916 HydrophobicContact CD2-CB 4.5Å; L885-V916 HydrophobicContact CD2-CG1 4.31Å; L885-V916 HydrophobicContact CD2-CG2 3.96Å; Q911-V916 HydrophobicContact CB-CG1 4.22Å; V916-F1157 HydrophobicContact CG1-CD1 3.74Å; V916-F1157 HydrophobicContact CG1-CE1 4.21Å; V916-F1157 HydrophobicContact CG1-CG 4.26Å; V916-F1160 HydrophobicContact CB-CD1 3.97Å; V916-F1160 HydrophobicContact CB-CD2 4.37Å; V916-F1160 HydrophobicContact CB-CE1 3.63Å; V916-F1160 HydrophobicContact CB-CE2 4.07Å; V916-F1160 HydrophobicContact CB-CG 4.34Å; V916-F1160 HydrophobicContact CB-CZ 3.7Å; V916-F1160 HydrophobicContact CG1-CD1 3.86Å; V916-F1160 HydrophobicContact CG1-CD2 4.19Å; V916-F1160 HydrophobicContact CG1-CE1 4.07Å; V916-F1160 HydrophobicContact CG1-CE2 4.39Å; V916-F1160 HydrophobicContact CG1-CG 3.94Å; V916-F1160 HydrophobicContact CG1-CZ 4.34Å; V916-F1160 HydrophobicContact CG2-CZ 4.4Å
917	M	94.4	Very high	93.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.8	-172.9	-49.2	-54.7	-169.9	0	0	110.6	M837 I868 K869 S870 C909 F910 T912 H915 L1140 F1160	M837-M917 HydrophobicContact CG-CE 3.87Å; M837-M917 HydrophobicContact SD-CE 3.82Å; M837-M917 HydrophobicContact SD-CG 4.33Å; M837-M917 HydrophobicContact SD-SD 4.4Å; I868-M917 HydrophobicContact CG2-CB 4.03Å; I868-M917 HydrophobicContact CG2-CG 4.49Å; I868-M917 HydrophobicContact CG2-SD 4.45Å; K869-M917 WeakPolarHBondContact O-CA 3.44Å; S870-M917 WeakPolarHBondContact CB-SD 3.41Å; S870-M917 WeakPolarHBondContact OG-CE 3.46Å; S870-M917 PolarHBondContact OG-SD 3.44Å; C909-M917 VanDerWaalsContact CA-O 3.32Å; C909-M917 WeakPolarHBondContact CA-O 3.49Å; F910-M917 HydrophobicContact CD1-CB 3.98Å; F910-M917 HydrophobicContact CD2-CB 4.34Å; F910-M917 HydrophobicContact CD2-CG 4.1Å; F910-M917 HydrophobicContact CE1-CB 3.75Å; F910-M917 HydrophobicContact CE1-CG 4.18Å; F910-M917 HydrophobicContact CE2-CB 4.11Å; F910-M917 HydrophobicContact CE2-CG 3.65Å; F910-M917 HydrophobicContact CG-CB 4.29Å; F910-M917 HydrophobicContact CZ-CB 3.83Å; F910-M917 HydrophobicContact CZ-CG 3.71Å; F910-M917 PolarHBondContact N-O 3.22Å; F910-M917 VanDerWaalsContact N-O 3.12Å; F910-M917 WeakPolarHBondContact O-CB 3.44Å; F910-M917 PolarHBondContact O-N 3.22Å; T912-M917 HydrophobicContact CG2-CE 3.98Å; H915-M917 HydrophobicContact CB-CE 3.46Å; H915-M917 VanDerWaalsContact CB-CE 3.46Å; H915-M917 HydrophobicContact CB-SD 3.96Å; M917-L1140 HydrophobicContact CE-CD1 3.54Å; M917-L1140 HydrophobicContact CE-CD2 3.59Å; M917-L1140 HydrophobicContact CE-CG 4.24Å; M917-L1140 HydrophobicContact SD-CD2 4.37Å; M917-F1160 WeakPolarHBondContact O-CE1 3.4Å
918	F	94.9	Very high	93.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.5	163	-60.1	-91.7	0	0	0	108.9	I868 K869 L871 L885 E888 K889 L892 L906 C909 M920 F1160	I868-F918 CarbonylContact C-O 3.59Å; I868-F918 VanDerWaalsContact CA-O 3.28Å; I868-F918 WeakPolarHBondContact CA-O 3.49Å; K869-F918 HydrophobicContact CB-CB 4.3Å; K869-F918 HydrophobicContact CD-CD2 4.45Å; K869-F918 PolarHBondContact N-O 3.42Å; K869-F918 PolarHBondContact O-N 3.01Å; L871-F918 HydrophobicContact CD1-CD2 3.66Å; L871-F918 HydrophobicContact CD1-CE2 3.65Å; L885-F918 HydrophobicContact CD1-CE2 3.56Å; L885-F918 HydrophobicContact CD1-CZ 3.72Å; L885-F918 HydrophobicContact CG-CZ 4.32Å; E888-F918 HydrophobicContact CG-CZ 4.42Å; K889-F918 HydrophobicContact CB-CE1 3.87Å; K889-F918 HydrophobicContact CB-CZ 4.42Å; L892-F918 HydrophobicContact CD1-CD1 3.89Å; L892-F918 HydrophobicContact CD1-CE1 4.15Å; L906-F918 HydrophobicContact CD1-CB 3.99Å; L906-F918 HydrophobicContact CD1-CD1 3.91Å; L906-F918 HydrophobicContact CD1-CG 4.48Å; C909-F918 WeakPolarHBondContact SG-CD1 3.24Å; F918-M920 HydrophobicContact CB-CG 4.17Å; F918-M920 HydrophobicContact CB-SD 4.39Å; F918-F1160 HydrophobicContact CD1-CZ 4.19Å; F918-F1160 HydrophobicContact CD2-CZ 4.21Å; F918-F1160 AromaticContact CE1-CE2 3.92Å; F918-F1160 HydrophobicContact CE1-CE2 3.92Å; F918-F1160 AromaticContact CE1-CZ 3.88Å; F918-F1160 HydrophobicContact CE1-CZ 3.88Å; F918-F1160 HydrophobicContact CE2-CE2 4.1Å; F918-F1160 AromaticContact CE2-CZ 3.93Å; F918-F1160 HydrophobicContact CE2-CZ 3.93Å; F918-F1160 HydrophobicContact CG-CZ 4.36Å; F918-F1160 AromaticContact CZ-CE2 3.61Å; F918-F1160 HydrophobicContact CZ-CE2 3.61Å; F918-F1160 AromaticContact CZ-CZ 3.76Å; F918-F1160 HydrophobicContact CZ-CZ 3.76Å
919	V	95.2	Very high	93.1	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	106.7	173.8	-173.6	0	0	0	0	107.6	L835 F840 Y866 I868 I907 A908 F910	L835-V919 HydrophobicContact CD2-CG2 4.38Å; F840-V919 HydrophobicContact CE1-CG1 4.15Å; F840-V919 HydrophobicContact CE2-CG2 4.43Å; F840-V919 HydrophobicContact CZ-CG1 4.05Å; F840-V919 HydrophobicContact CZ-CG2 3.95Å; Y866-V919 HydrophobicContact CD1-CG1 4.14Å; Y866-V919 HydrophobicContact CD2-CG1 4.4Å; Y866-V919 HydrophobicContact CG-CG1 3.81Å; I868-V919 HydrophobicContact CD1-CG2 4.37Å; I868-V919 HydrophobicContact CG1-CG1 4.44Å; I868-V919 HydrophobicContact CG1-CG2 4.3Å; I907-V919 HydrophobicContact CB-CG1 4.35Å; I907-V919 PolarHBondContact N-O 3.28Å; A908-V919 HydrophobicContact CB-CB 4.16Å; A908-V919 HydrophobicContact CB-CG2 4.21Å; A908-V919 PolarHBondContact N-O 2.97Å; A908-V919 WeakPolarHBondContact O-CB 3.44Å; A908-V919 PolarHBondContact O-N 2.89Å; F910-V919 HydrophobicContact CD1-CG2 3.9Å; F910-V919 HydrophobicContact CE1-CG2 3.52Å
920	M	95.4	Very high	92.7	Very high	22 Å²	22	29.7 Å²	29.7	11%	0.108	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	162.6	-174.2	-54.3	174.2	-55.6	0	0	110.6	Y866 A867 K869 I904 N905 L906 F918	Y866-M920 WeakPolarHBondContact CA-O 3.26Å; Y866-M920 WeakPolarHBondContact CB-O 3.41Å; A867-M920 HydrophobicContact CB-CE 4.36Å; A867-M920 PolarHBondContact N-O 2.96Å; A867-M920 PolarHBondContact O-N 3.03Å; K869-M920 HydrophobicContact CB-CE 3.73Å; K869-M920 HydrophobicContact CB-SD 4.46Å; I904-M920 HydrophobicContact CG2-CB 3.75Å; I904-M920 HydrophobicContact CG2-CG 4.25Å; I904-M920 HydrophobicContact CG2-SD 4.15Å; N905-M920 WeakPolarHBondContact O-CA 3.39Å; L906-M920 HydrophobicContact CD1-CG 4.44Å; F918-M920 HydrophobicContact CB-CG 4.17Å; F918-M920 HydrophobicContact CB-SD 4.39Å
921	E	94.3	Very high	92.4	Very high	45 Å²	45	30.6 Å²	30.6	21%	0.21	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	148.7	172.7	66.1	177.7	139.6	0	0	111.5	I904 N905 I907 K980	I904-E921 HydrophobicContact CD1-CG 3.92Å; I904-E921 HydrophobicContact CG2-CG 4.25Å; N905-E921 HydrophobicContact CB-CG 4.43Å; N905-E921 PolarHBondContact N-OE1 3.09Å; N905-E921 PolarHBondContact ND2-OE1 2.99Å; N905-E921 PolarHBondContact O-N 3.23Å; I907-E921 HydrophobicContact CD1-CB 4.24Å; E921-K980 IonicContact OE1-NZ 3.83Å; E921-K980 PolarHBondContact OE1-NZ 3.4Å; E921-K980 WeakPolarHBondContact OE2-CE 3.29Å; E921-K980 IonicContact OE2-NZ 2.83Å; E921-K980 PolarHBondContact OE2-NZ 3.26Å
922	Y	94.9	Very high	92.2	Very high	23 Å²	23	29 Å²	29	9%	0.09	14%	0.144	C	C	.	.			trans	-97.2	106.3	-178.1	177.4	-137.5	0	0	0	111.6	L846 L856 Q924 D1125 F1129	L846-Y922 HydrophobicContact CD1-CD2 3.76Å; L846-Y922 HydrophobicContact CD1-CE2 3.52Å; L846-Y922 HydrophobicContact CD2-CE2 3.92Å; L846-Y922 HydrophobicContact CG-CE2 4.38Å; L856-Y922 HydrophobicContact CD1-CD1 3.44Å; L856-Y922 VanDerWaalsContact CD1-CD1 3.44Å; L856-Y922 HydrophobicContact CD1-CD2 3.93Å; L856-Y922 HydrophobicContact CD1-CE1 3.43Å; L856-Y922 VanDerWaalsContact CD1-CE1 3.43Å; L856-Y922 HydrophobicContact CD1-CE2 3.94Å; L856-Y922 HydrophobicContact CD1-CG 3.71Å; L856-Y922 HydrophobicContact CD2-CE1 4.02Å; L856-Y922 HydrophobicContact CG-CE1 4.38Å; Y922-Q924 HydrophobicContact CD1-CG 3.58Å; Y922-Q924 HydrophobicContact CE1-CB 4.39Å; Y922-Q924 HydrophobicContact CE1-CG 3.34Å; Y922-Q924 HydrophobicContact CG-CG 4.33Å; Y922-Q924 PolarHBondContact O-N 3.37Å; Y922-D1125 PolarHBondContact OH-O 2.6Å; Y922-F1129 AromaticContact CE2-CE2 3.79Å; Y922-F1129 HydrophobicContact CE2-CE2 3.79Å; Y922-F1129 AromaticContact CE2-CZ 3.6Å; Y922-F1129 HydrophobicContact CE2-CZ 3.6Å; Y922-F1129 AromaticContact CZ-CE2 3.98Å; Y922-F1129 VanDerWaalsContact OH-CE2 3.3Å; Y922-F1129 WeakPolarHBondContact OH-CE2 3.44Å
923	A	95	Very high	91.8	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.025	16%	0.162	C	C	.	.			trans	-84.6	96.3	175.3	0	0	0	0	0	110.8	I904 G925 L972 L973 F1129	I904-A923 HydrophobicContact CD1-CB 4.12Å; A923-G925 VanDerWaalsContact C-N 3.3Å; A923-G925 PolarHBondContact O-N 3.11Å; A923-L972 HydrophobicContact CB-CB 3.68Å; A923-L972 HydrophobicContact CB-CD1 4.06Å; A923-L973 CarbonylContact C-O 3.48Å; A923-L973 VanDerWaalsContact C-O 3.24Å; A923-L973 WeakPolarHBondContact CB-O 3.27Å; A923-F1129 WeakPolarHBondContact O-CZ 3.48Å
924	Q	93.8	Very high	91.4	Very high	41 Å²	41	31.4 Å²	31.4	19%	0.192	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.2	-169.4	-73	164.1	17.2	0	0	115.9	Y922 G926 V1120 N1128	Y922-Q924 HydrophobicContact CD1-CG 3.58Å; Y922-Q924 HydrophobicContact CE1-CB 4.39Å; Y922-Q924 HydrophobicContact CE1-CG 3.34Å; Y922-Q924 HydrophobicContact CG-CG 4.33Å; Y922-Q924 PolarHBondContact O-N 3.37Å; Q924-G926 VanDerWaalsContact C-N 3.3Å; Q924-G926 PolarHBondContact O-N 3.05Å; Q924-V1120 HydrophobicContact CB-CG1 4.42Å; Q924-V1120 HydrophobicContact CB-CG2 4.09Å; Q924-N1128 PolarHBondContact O-ND2 3.25Å
925	G	93.2	Very high	91.2	Very high	7 Å²	7	33.7 Å²	33.7	7%	0.072	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	0.1	-173.2	0	0	0	0	0	115.5	A923 L973	A923-G925 VanDerWaalsContact C-N 3.3Å; A923-G925 PolarHBondContact O-N 3.11Å; G925-L973 VanDerWaalsContact CA-O 3.27Å; G925-L973 WeakPolarHBondContact CA-O 3.47Å; G925-L973 PolarHBondContact N-O 2.72Å
926	G	92.8	Very high	91.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.			trans	72.4	-166.4	-174	0	0	0	0	0	112.5	Q924 L972 L973 N1128	Q924-G926 VanDerWaalsContact C-N 3.3Å; Q924-G926 PolarHBondContact O-N 3.05Å; G926-L972 CarbonylContact O-C 3.42Å; G926-L972 VanDerWaalsContact O-CA 3.28Å; G926-L972 WeakPolarHBondContact O-CA 3.17Å; G926-L973 PolarHBondContact O-N 2.98Å; G926-N1128 WeakPolarHBondContact CA-O 3.4Å
927	D	93.7	Very high	91.1	Very high	30 Å²	30	37.3 Å²	37.3	16%	0.16	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-91	158.3	175.8	55.9	79.1	0	0	0	113.5	M929 S930 L971 L972	D927-M929 VanDerWaalsContact C-N 3.26Å; D927-M929 PolarHBondContact O-N 3.42Å; D927-M929 WeakPolarHBondContact OD1-CB 3.41Å; D927-M929 PolarHBondContact OD1-N 2.87Å; D927-S930 VanDerWaalsContact OD1-CB 3.27Å; D927-S930 WeakPolarHBondContact OD1-CB 3.33Å; D927-S930 PolarHBondContact OD1-N 3.1Å; D927-S930 PolarHBondContact OD1-OG 3.39Å; D927-S930 PolarHBondContact OD2-OG 2.88Å; D927-L971 CarbonylContact C-O 3.49Å; D927-L971 WeakPolarHBondContact CA-O 3.4Å; D927-L972 HydrophobicContact CB-CD2 3.99Å
928	L	93.4	Very high	91.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.4	-25.5	175.9	-75.1	-175.6	0	0	0	113.2	L931 I932 F937 Y945 L968 L971 L973 V979	L928-L931 PolarHBondContact O-N 3.4Å; L928-L931 VanDerWaalsContact O-N 3.14Å; L928-I932 PolarHBondContact O-N 2.69Å; L928-F937 HydrophobicContact CD2-CE2 4.18Å; L928-F937 HydrophobicContact CD2-CZ 3.99Å; L928-Y945 HydrophobicContact CD1-CG 4.3Å; L928-Y945 HydrophobicContact CD2-CD1 4.42Å; L928-Y945 HydrophobicContact CD2-CD2 4.23Å; L928-Y945 HydrophobicContact CD2-CE1 4.33Å; L928-Y945 HydrophobicContact CD2-CE2 4.14Å; L928-Y945 HydrophobicContact CD2-CG 4.38Å; L928-L968 HydrophobicContact CB-CD2 4.11Å; L928-L971 HydrophobicContact CB-CB 4.35Å; L928-L971 HydrophobicContact CD1-CB 3.76Å; L928-L971 HydrophobicContact CD1-CD1 3.88Å; L928-L971 HydrophobicContact CD1-CG 4.49Å; L928-L971 HydrophobicContact CG-CB 4.02Å; L928-L971 PolarHBondContact N-O 3.26Å; L928-L973 HydrophobicContact CD2-CD1 3.99Å; L928-L973 HydrophobicContact CD2-CD2 3.82Å; L928-L973 HydrophobicContact CD2-CG 3.92Å; L928-V979 HydrophobicContact CD1-CG2 3.83Å; L928-V979 HydrophobicContact CD2-CG2 4.31Å; L928-V979 HydrophobicContact CG-CG2 4.24Å
929	M	90.7	Very high	91.1	Very high	57 Å²	57	47.4 Å²	47.4	28%	0.281	23%	0.234	S	C	.	.	H	α-helix	trans	-63.3	-45.9	179.9	-176.4	51.4	167.6	0	0	110.6	D927 L931 I932 Q933 L968	D927-M929 VanDerWaalsContact C-N 3.26Å; D927-M929 PolarHBondContact O-N 3.42Å; D927-M929 WeakPolarHBondContact OD1-CB 3.41Å; D927-M929 PolarHBondContact OD1-N 2.87Å; M929-L931 PolarHBondContact O-N 2.92Å; M929-I932 PolarHBondContact O-N 3.36Å; M929-Q933 WeakPolarHBondContact O-CG 3.39Å; M929-Q933 PolarHBondContact O-N 3.11Å; M929-L968 HydrophobicContact CB-CB 3.75Å; M929-L968 HydrophobicContact CG-CB 4.46Å; M929-L968 HydrophobicContact SD-CB 4.27Å; M929-L968 HydrophobicContact SD-CD1 3.93Å
930	S	87.1	Confident	91.1	Very high	31 Å²	31	52 Å²	52	22%	0.217	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-22.4	174	-62.9	0	0	0	0	113.8	D927 K934	D927-S930 VanDerWaalsContact OD1-CB 3.27Å; D927-S930 WeakPolarHBondContact OD1-CB 3.33Å; D927-S930 PolarHBondContact OD1-N 3.1Å; D927-S930 PolarHBondContact OD1-OG 3.39Å; D927-S930 PolarHBondContact OD2-OG 2.88Å; S930-K934 WeakPolarHBondContact O-CE 3.49Å
931	L	88.4	Confident	91.1	Very high	22 Å²	22	53.2 Å²	53.2	12%	0.115	27%	0.269	C	S	.	.	H	α-helix	trans	-85.4	-41.4	174.2	-166.8	63.1	0	0	0	111.9	L928 M929 K934 N935 F937 L973 F1116	L928-L931 PolarHBondContact O-N 3.4Å; L928-L931 VanDerWaalsContact O-N 3.14Å; M929-L931 PolarHBondContact O-N 2.92Å; L931-K934 WeakPolarHBondContact O-CB 3.44Å; L931-K934 PolarHBondContact O-N 2.86Å; L931-K934 VanDerWaalsContact O-N 3.14Å; L931-N935 PolarHBondContact O-N 3.15Å; L931-F937 HydrophobicContact CB-CE1 4.3Å; L931-F937 HydrophobicContact CB-CZ 4.24Å; L931-F937 HydrophobicContact CD2-CE1 3.71Å; L931-F937 HydrophobicContact CD2-CZ 3.8Å; L931-F937 HydrophobicContact CG-CE1 3.81Å; L931-F937 HydrophobicContact CG-CZ 4.12Å; L931-L973 HydrophobicContact CD2-CD1 4.13Å; L931-F1116 HydrophobicContact CD1-CD1 4.12Å; L931-F1116 HydrophobicContact CD1-CD2 4.3Å; L931-F1116 HydrophobicContact CD1-CE1 3.7Å; L931-F1116 HydrophobicContact CD1-CE2 3.9Å; L931-F1116 HydrophobicContact CD1-CG 4.4Å; L931-F1116 HydrophobicContact CD1-CZ 3.57Å; L931-F1116 HydrophobicContact CD2-CB 4.45Å; L931-F1116 HydrophobicContact CD2-CD1 3.45Å; L931-F1116 VanDerWaalsContact CD2-CD1 3.45Å; L931-F1116 HydrophobicContact CD2-CE1 3.73Å; L931-F1116 HydrophobicContact CD2-CG 3.93Å; L931-F1116 HydrophobicContact CD2-CZ 4.41Å; L931-F1116 HydrophobicContact CG-CD1 4.46Å; L931-F1116 HydrophobicContact CG-CE1 4.37Å
932	I	87.6	Confident	91.3	Very high	15 Å²	15	51 Å²	51	8%	0.077	26%	0.259	C	S	.	.	H	α-helix	trans	-68.5	-35.3	178.6	-71.1	162.1	0	0	0	112	L928 M929 K934 N935 F937 L968 M1033	L928-I932 PolarHBondContact O-N 2.69Å; M929-I932 PolarHBondContact O-N 3.36Å; I932-K934 PolarHBondContact O-N 3.33Å; I932-K934 VanDerWaalsContact O-N 3.1Å; I932-N935 WeakPolarHBondContact CA-O 3.41Å; I932-N935 CarbonylContact O-C 3.56Å; I932-N935 VanDerWaalsContact O-C 3.26Å; I932-N935 PolarHBondContact O-N 3.19Å; I932-N935 VanDerWaalsContact O-N 3.16Å; I932-F937 HydrophobicContact CD1-CD2 4.14Å; I932-F937 HydrophobicContact CD1-CE2 3.67Å; I932-F937 HydrophobicContact CD1-CZ 3.94Å; I932-F937 HydrophobicContact CG1-CD1 4.15Å; I932-F937 HydrophobicContact CG1-CD2 4.08Å; I932-F937 HydrophobicContact CG1-CE1 3.73Å; I932-F937 HydrophobicContact CG1-CE2 3.65Å; I932-F937 HydrophobicContact CG1-CG 4.3Å; I932-F937 HydrophobicContact CG1-CZ 3.45Å; I932-F937 VanDerWaalsContact CG1-CZ 3.45Å; I932-L968 HydrophobicContact CD1-CD1 3.47Å; I932-L968 VanDerWaalsContact CD1-CD1 3.47Å; I932-L968 HydrophobicContact CD1-CD2 3.37Å; I932-L968 HydrophobicContact CD1-CG 4.01Å; I932-M1033 HydrophobicContact CD1-CG 3.92Å
933	Q	82	Confident	91.4	Very high	141 Å²	141	50.8 Å²	50.8	66%	0.659	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.4	171.6	-74.4	177.9	21.7	0	0	113.2	M929	M929-Q933 WeakPolarHBondContact O-CG 3.39Å; M929-Q933 PolarHBondContact O-N 3.11Å
934	K	79.8	Confident	91.6	Very high	133 Å²	133	51.1 Å²	51.1	58%	0.578	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-46.4	175.4	-61.7	167.4	-174.2	166.9	0	111.3	S930 L931 I932	S930-K934 WeakPolarHBondContact O-CE 3.49Å; L931-K934 WeakPolarHBondContact O-CB 3.44Å; L931-K934 PolarHBondContact O-N 2.86Å; L931-K934 VanDerWaalsContact O-N 3.14Å; I932-K934 PolarHBondContact O-N 3.33Å; I932-K934 VanDerWaalsContact O-N 3.1Å
935	N	84.1	Confident	91.8	Very high	127 Å²	127	49.2 Å²	49.2	68%	0.679	25%	0.252	S	S	*	.			trans	-158.9	141.3	174.4	-78.6	-74.2	0	0	0	110.9	L931 I932	L931-N935 PolarHBondContact O-N 3.15Å; I932-N935 WeakPolarHBondContact CA-O 3.41Å; I932-N935 CarbonylContact O-C 3.56Å; I932-N935 VanDerWaalsContact O-C 3.26Å; I932-N935 PolarHBondContact O-N 3.19Å; I932-N935 VanDerWaalsContact O-N 3.16Å
936	V	89.1	Confident	92	Very high	73 Å²	73	48.9 Å²	48.9	44%	0.442	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-60	148.3	169.3	-58.5	0	0	0	0	111.8	G1036	V936-G1036 VanDerWaalsContact CG1-CA 3.46Å
937	F	92.7	Very high	92.3	Very high	11 Å²	11	48.9 Å²	48.9	5%	0.048	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-78.1	138.3	-177.5	-66.5	-20.3	0	0	0	112.2	L928 L931 I932 Q941 A942 Y945 M1033	L928-F937 HydrophobicContact CD2-CE2 4.18Å; L928-F937 HydrophobicContact CD2-CZ 3.99Å; L931-F937 HydrophobicContact CB-CE1 4.3Å; L931-F937 HydrophobicContact CB-CZ 4.24Å; L931-F937 HydrophobicContact CD2-CE1 3.71Å; L931-F937 HydrophobicContact CD2-CZ 3.8Å; L931-F937 HydrophobicContact CG-CE1 3.81Å; L931-F937 HydrophobicContact CG-CZ 4.12Å; I932-F937 HydrophobicContact CD1-CD2 4.14Å; I932-F937 HydrophobicContact CD1-CE2 3.67Å; I932-F937 HydrophobicContact CD1-CZ 3.94Å; I932-F937 HydrophobicContact CG1-CD1 4.15Å; I932-F937 HydrophobicContact CG1-CD2 4.08Å; I932-F937 HydrophobicContact CG1-CE1 3.73Å; I932-F937 HydrophobicContact CG1-CE2 3.65Å; I932-F937 HydrophobicContact CG1-CG 4.3Å; I932-F937 HydrophobicContact CG1-CZ 3.45Å; I932-F937 VanDerWaalsContact CG1-CZ 3.45Å; F937-Q941 HydrophobicContact CB-CB 3.86Å; F937-Q941 HydrophobicContact CG-CB 4.12Å; F937-A942 HydrophobicContact CB-CB 4.39Å; F937-Y945 AromaticContact CD2-CD2 3.82Å; F937-Y945 HydrophobicContact CD2-CD2 3.82Å; F937-Y945 HydrophobicContact CD2-CE2 4.22Å; F937-Y945 HydrophobicContact CE1-CE2 4.44Å; F937-Y945 AromaticContact CE2-CD2 3.51Å; F937-Y945 HydrophobicContact CE2-CD2 3.51Å; F937-Y945 AromaticContact CE2-CE2 3.77Å; F937-Y945 HydrophobicContact CE2-CE2 3.77Å; F937-Y945 HydrophobicContact CZ-CD2 4.13Å; F937-Y945 AromaticContact CZ-CE2 3.9Å; F937-Y945 HydrophobicContact CZ-CE2 3.9Å; F937-M1033 HydrophobicContact CB-CB 4.47Å; F937-M1033 WeakPolarHBondContact CB-O 3.21Å; F937-M1033 HydrophobicContact CD2-CB 3.87Å; F937-M1033 HydrophobicContact CD2-CG 3.67Å; F937-M1033 HydrophobicContact CD2-SD 3.78Å; F937-M1033 HydrophobicContact CE2-CG 4.01Å; F937-M1033 HydrophobicContact CE2-SD 4.01Å; F937-M1033 PolarHBondContact N-O 3.36Å
938	K	94.3	Very high	92.5	Very high	161 Å²	161	47.4 Å²	47.4	70%	0.7	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-68.4	153.6	165.5	-63.6	179.8	-178.9	175.8	0	109	P940 Q941 A942	K938-P940 VanDerWaalsContact C-CD 3.47Å; K938-P940 VanDerWaalsContact C-N 3.33Å; K938-P940 VanDerWaalsContact O-N 3.14Å; K938-Q941 WeakPolarHBondContact O-CA 3.29Å; K938-Q941 WeakPolarHBondContact O-CB 3.17Å; K938-Q941 PolarHBondContact O-N 2.83Å; K938-A942 PolarHBondContact O-N 2.8Å; K938-A942 VanDerWaalsContact O-N 3.11Å
939	E	95.7	Very high	92.7	Very high	51 Å²	51	47.4 Å²	47.4	24%	0.238	24%	0.24	C	C	.	.	H	α-helix	trans	-50.7	-42.3	-176.6	-164	164.4	131.8	0	0	114.6	Q941 A942 V943 L1034 S1064 F1098	E939-Q941 VanDerWaalsContact C-N 3.31Å; E939-Q941 PolarHBondContact O-N 3.21Å; E939-A942 PolarHBondContact O-N 3.03Å; E939-V943 HydrophobicContact CG-CG2 4.32Å; E939-V943 WeakPolarHBondContact O-CB 3.45Å; E939-V943 VanDerWaalsContact O-CG2 3.22Å; E939-V943 WeakPolarHBondContact O-CG2 3.42Å; E939-V943 PolarHBondContact O-N 2.92Å; E939-L1034 HydrophobicContact CB-CD2 4.23Å; E939-L1034 HydrophobicContact CG-CD2 4.37Å; E939-S1064 VanDerWaalsContact OE1-CB 3.28Å; E939-S1064 WeakPolarHBondContact OE1-CB 3.32Å; E939-S1064 PolarHBondContact OE1-OG 2.87Å; E939-S1064 WeakPolarHBondContact OE2-CB 3.47Å; E939-S1064 PolarHBondContact OE2-OG 2.76Å; E939-F1098 HydrophobicContact CG-CE2 3.88Å
940	P	96	Very high	93.1	Very high	99 Å²	99	44.7 Å²	44.7	64%	0.643	23%	0.227	S	C	*	.	H	α-helix	trans	-62.8	-31.4	175.2	-23.5	35.7	0	0	0	114.8	K938 F944	K938-P940 VanDerWaalsContact C-CD 3.47Å; K938-P940 VanDerWaalsContact C-N 3.33Å; K938-P940 VanDerWaalsContact O-N 3.14Å; P940-F944 WeakPolarHBondContact O-CB 3.45Å; P940-F944 PolarHBondContact O-N 2.83Å; P940-F944 VanDerWaalsContact O-N 3.16Å
941	Q	95.6	Very high	93.6	Very high	47 Å²	47	43.7 Å²	43.7	22%	0.22	22%	0.219	C	C	.	.	H	α-helix	trans	-70.4	-47.9	174.5	-75.5	163.7	-46.7	0	0	110.6	F937 K938 E939 V943 F944 Y945 P1115	F937-Q941 HydrophobicContact CB-CB 3.86Å; F937-Q941 HydrophobicContact CG-CB 4.12Å; K938-Q941 WeakPolarHBondContact O-CA 3.29Å; K938-Q941 WeakPolarHBondContact O-CB 3.17Å; K938-Q941 PolarHBondContact O-N 2.83Å; E939-Q941 VanDerWaalsContact C-N 3.31Å; E939-Q941 PolarHBondContact O-N 3.21Å; Q941-V943 VanDerWaalsContact C-N 3.34Å; Q941-V943 PolarHBondContact O-N 2.72Å; Q941-F944 PolarHBondContact O-N 2.9Å; Q941-Y945 HydrophobicContact CB-CE2 4.4Å; Q941-Y945 VanDerWaalsContact O-CD2 3.22Å; Q941-Y945 WeakPolarHBondContact O-CD2 3.45Å; Q941-Y945 PolarHBondContact O-N 3.28Å; Q941-P1115 HydrophobicContact CB-CG 4.28Å; Q941-P1115 HydrophobicContact CG-CB 3.68Å; Q941-P1115 HydrophobicContact CG-CG 3.83Å
942	A	96.9	Very high	94.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-38.8	177.5	0	0	0	0	0	112.4	F937 K938 E939 A946 M1033 L1034	F937-A942 HydrophobicContact CB-CB 4.39Å; K938-A942 PolarHBondContact O-N 2.8Å; K938-A942 VanDerWaalsContact O-N 3.11Å; E939-A942 PolarHBondContact O-N 3.03Å; A942-A946 WeakPolarHBondContact O-CB 3.37Å; A942-A946 PolarHBondContact O-N 2.86Å; A942-M1033 HydrophobicContact CB-CB 3.98Å; A942-M1033 HydrophobicContact CB-CE 4.32Å; A942-M1033 HydrophobicContact CB-SD 4.4Å; A942-L1034 HydrophobicContact CB-CD2 3.51Å; A942-L1034 HydrophobicContact CB-CG 3.89Å
943	V	98	Very high	94.6	Very high	18 Å²	18	41.9 Å²	41.9	11%	0.109	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-45.3	173.8	168.7	0	0	0	0	111.3	E939 Q941 G947 F1098 F1099 L1102	E939-V943 HydrophobicContact CG-CG2 4.32Å; E939-V943 WeakPolarHBondContact O-CB 3.45Å; E939-V943 VanDerWaalsContact O-CG2 3.22Å; E939-V943 WeakPolarHBondContact O-CG2 3.42Å; E939-V943 PolarHBondContact O-N 2.92Å; Q941-V943 VanDerWaalsContact C-N 3.34Å; Q941-V943 PolarHBondContact O-N 2.72Å; V943-G947 PolarHBondContact O-N 3.11Å; V943-F1098 HydrophobicContact CB-CE1 4.35Å; V943-F1098 HydrophobicContact CB-CZ 4.44Å; V943-F1098 HydrophobicContact CG2-CD1 3.95Å; V943-F1098 HydrophobicContact CG2-CD2 3.99Å; V943-F1098 HydrophobicContact CG2-CE1 3.61Å; V943-F1098 HydrophobicContact CG2-CE2 3.67Å; V943-F1098 HydrophobicContact CG2-CG 4.14Å; V943-F1098 HydrophobicContact CG2-CZ 3.47Å; V943-F1098 VanDerWaalsContact CG2-CZ 3.47Å; V943-F1098 WeakPolarHBondContact CG2-O 3.47Å; V943-F1099 HydrophobicContact CG1-CD1 4Å; V943-F1099 HydrophobicContact CG1-CE1 4.5Å; V943-L1102 HydrophobicContact CG1-CB 4.2Å; V943-L1102 HydrophobicContact CG1-CD2 4.32Å
944	F	98	Very high	95.4	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.039	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-52.6	178.5	179.5	-90.2	0	0	0	111.6	P940 Q941 G947 C948 F978 L1107 I1112 P1114 P1115	P940-F944 WeakPolarHBondContact O-CB 3.45Å; P940-F944 PolarHBondContact O-N 2.83Å; P940-F944 VanDerWaalsContact O-N 3.16Å; Q941-F944 PolarHBondContact O-N 2.9Å; F944-G947 WeakPolarHBondContact O-CA 3.46Å; F944-G947 PolarHBondContact O-N 3.28Å; F944-G947 VanDerWaalsContact O-N 3.09Å; F944-C948 PolarHBondContact O-N 2.85Å; F944-C948 VanDerWaalsContact O-N 3.14Å; F944-C948 PolarHBondContact O-SG 2.84Å; F944-F978 HydrophobicContact CE1-CD1 4.31Å; F944-F978 HydrophobicContact CE2-CE1 4.29Å; F944-F978 AromaticContact CZ-CD1 3.63Å; F944-F978 HydrophobicContact CZ-CD1 3.63Å; F944-F978 AromaticContact CZ-CE1 3.68Å; F944-F978 HydrophobicContact CZ-CE1 3.68Å; F944-L1107 HydrophobicContact CD2-CD1 3.96Å; F944-L1107 HydrophobicContact CE2-CD1 3.47Å; F944-L1107 VanDerWaalsContact CE2-CD1 3.47Å; F944-L1107 HydrophobicContact CZ-CD1 3.93Å; F944-I1112 HydrophobicContact CD2-CG2 3.99Å; F944-I1112 HydrophobicContact CE2-CB 4.14Å; F944-I1112 HydrophobicContact CE2-CG2 3.78Å; F944-P1114 HydrophobicContact CE1-CB 4.04Å; F944-P1114 HydrophobicContact CE1-CG 4.37Å; F944-P1114 HydrophobicContact CZ-CB 3.92Å; F944-P1114 HydrophobicContact CZ-CG 3.87Å; F944-P1115 HydrophobicContact CB-CG 4.14Å; F944-P1115 HydrophobicContact CD1-CG 3.93Å; F944-P1115 HydrophobicContact CG-CG 4.08Å
945	Y	97.9	Very high	96.2	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-68.1	-39.8	-178	-64.1	-46.5	0	0	0	113.1	L928 F937 Q941 G947 C948 V949 L973 V979 P1115	L928-Y945 HydrophobicContact CD1-CG 4.3Å; L928-Y945 HydrophobicContact CD2-CD1 4.42Å; L928-Y945 HydrophobicContact CD2-CD2 4.23Å; L928-Y945 HydrophobicContact CD2-CE1 4.33Å; L928-Y945 HydrophobicContact CD2-CE2 4.14Å; L928-Y945 HydrophobicContact CD2-CG 4.38Å; F937-Y945 AromaticContact CD2-CD2 3.82Å; F937-Y945 HydrophobicContact CD2-CD2 3.82Å; F937-Y945 HydrophobicContact CD2-CE2 4.22Å; F937-Y945 HydrophobicContact CE1-CE2 4.44Å; F937-Y945 AromaticContact CE2-CD2 3.51Å; F937-Y945 HydrophobicContact CE2-CD2 3.51Å; F937-Y945 AromaticContact CE2-CE2 3.77Å; F937-Y945 HydrophobicContact CE2-CE2 3.77Å; F937-Y945 HydrophobicContact CZ-CD2 4.13Å; F937-Y945 AromaticContact CZ-CE2 3.9Å; F937-Y945 HydrophobicContact CZ-CE2 3.9Å; Q941-Y945 HydrophobicContact CB-CE2 4.4Å; Q941-Y945 VanDerWaalsContact O-CD2 3.22Å; Q941-Y945 WeakPolarHBondContact O-CD2 3.45Å; Q941-Y945 PolarHBondContact O-N 3.28Å; Y945-G947 PolarHBondContact O-N 2.79Å; Y945-C948 PolarHBondContact O-N 2.7Å; Y945-V949 WeakPolarHBondContact O-CG2 3.49Å; Y945-V949 PolarHBondContact O-N 2.85Å; Y945-L973 HydrophobicContact CE1-CD2 3.85Å; Y945-V979 HydrophobicContact CD1-CG2 3.36Å; Y945-V979 HydrophobicContact CE1-CG2 3.96Å; Y945-V979 HydrophobicContact CG-CG2 4.12Å; Y945-P1115 HydrophobicContact CE2-CG 4.32Å
946	A	98.2	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.4	-33.9	170.7	0	0	0	0	0	111.7	A942 V949 V950 L1026 I1030 M1033 F1098 F1099	A942-A946 WeakPolarHBondContact O-CB 3.37Å; A942-A946 PolarHBondContact O-N 2.86Å; A946-V949 PolarHBondContact O-N 2.88Å; A946-V950 WeakPolarHBondContact O-CB 3.42Å; A946-V950 VanDerWaalsContact O-CG2 3.26Å; A946-V950 WeakPolarHBondContact O-CG2 3.43Å; A946-V950 PolarHBondContact O-N 2.9Å; A946-L1026 HydrophobicContact CB-CD1 4.34Å; A946-I1030 HydrophobicContact CB-CD1 4.03Å; A946-I1030 HydrophobicContact CB-CG1 3.84Å; A946-M1033 HydrophobicContact CB-CE 3.99Å; A946-F1098 HydrophobicContact CB-CE1 4.48Å; A946-F1099 HydrophobicContact CB-CE1 3.93Å; A946-F1099 HydrophobicContact CB-CZ 3.86Å
947	G	98.3	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.8	-45.5	175.2	0	0	0	0	0	113.3	V943 F944 Y945 V949 V950 L951	V943-G947 PolarHBondContact O-N 3.11Å; F944-G947 WeakPolarHBondContact O-CA 3.46Å; F944-G947 PolarHBondContact O-N 3.28Å; F944-G947 VanDerWaalsContact O-N 3.09Å; Y945-G947 PolarHBondContact O-N 2.79Å; G947-V949 VanDerWaalsContact C-N 3.33Å; G947-V949 PolarHBondContact O-N 2.82Å; G947-V950 PolarHBondContact O-N 3.12Å; G947-L951 PolarHBondContact O-N 2.77Å; G947-L951 VanDerWaalsContact O-N 3.15Å
948	C	98.2	Very high	97.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.3	-43.2	175.7	-59.4	0	0	0	0	111.3	F902 F944 Y945 L951 G952 V979	F902-C948 HydrophobicContact CB-CB 4.34Å; F902-C948 HydrophobicContact CD1-CB 4.01Å; F902-C948 HydrophobicContact CD2-CB 4.02Å; F902-C948 HydrophobicContact CE1-CB 4.32Å; F902-C948 HydrophobicContact CE2-CB 4.31Å; F902-C948 HydrophobicContact CG-CB 3.85Å; F902-C948 HydrophobicContact CZ-CB 4.44Å; F944-C948 PolarHBondContact O-N 2.85Å; F944-C948 VanDerWaalsContact O-N 3.14Å; F944-C948 PolarHBondContact O-SG 2.84Å; Y945-C948 PolarHBondContact O-N 2.7Å; C948-L951 PolarHBondContact O-N 2.83Å; C948-G952 PolarHBondContact O-N 2.93Å; C948-V979 HydrophobicContact CB-CB 3.99Å
949	V	98.4	Very high	97.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-41.3	177.7	172.6	0	0	0	0	111.9	Y945 A946 G947 L951 G952 I953 L966 L971 V979 L1026 L1029	Y945-V949 WeakPolarHBondContact O-CG2 3.49Å; Y945-V949 PolarHBondContact O-N 2.85Å; A946-V949 PolarHBondContact O-N 2.88Å; G947-V949 VanDerWaalsContact C-N 3.33Å; G947-V949 PolarHBondContact O-N 2.82Å; V949-L951 VanDerWaalsContact C-N 3.31Å; V949-L951 PolarHBondContact O-N 2.87Å; V949-G952 PolarHBondContact O-N 2.91Å; V949-I953 HydrophobicContact CG1-CD1 3.65Å; V949-I953 HydrophobicContact CG1-CG1 4.27Å; V949-I953 WeakPolarHBondContact O-CG1 3.45Å; V949-I953 PolarHBondContact O-N 3.14Å; V949-L966 HydrophobicContact CG1-CD1 3.7Å; V949-L966 HydrophobicContact CG1-CD2 3.96Å; V949-L966 HydrophobicContact CG1-CG 4.47Å; V949-L971 HydrophobicContact CG2-CD1 3.7Å; V949-L971 HydrophobicContact CG2-CD2 3.8Å; V949-L971 HydrophobicContact CG2-CG 4.42Å; V949-V979 HydrophobicContact CG2-CG1 4.31Å; V949-L1026 HydrophobicContact CB-CD1 4.49Å; V949-L1026 HydrophobicContact CG1-CD1 4.01Å; V949-L1029 HydrophobicContact CG1-CD2 4.21Å; V949-L1029 HydrophobicContact CG2-CD2 4.1Å
950	V	98.6	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.6	-43.5	175.4	165.3	0	0	0	0	111.1	A946 G947 E954 W1023 L1026 A1090 I1093 K1094 F1099 F1104	A946-V950 WeakPolarHBondContact O-CB 3.42Å; A946-V950 VanDerWaalsContact O-CG2 3.26Å; A946-V950 WeakPolarHBondContact O-CG2 3.43Å; A946-V950 PolarHBondContact O-N 2.9Å; G947-V950 PolarHBondContact O-N 3.12Å; V950-E954 WeakPolarHBondContact O-CB 3.48Å; V950-E954 PolarHBondContact O-N 2.88Å; V950-W1023 HydrophobicContact CG2-CZ3 4.38Å; V950-L1026 HydrophobicContact CG2-CD1 4.38Å; V950-L1026 HydrophobicContact CG2-CD2 3.53Å; V950-A1090 HydrophobicContact CG1-CB 4.38Å; V950-I1093 HydrophobicContact CG1-CG2 4.38Å; V950-I1093 HydrophobicContact CG2-CG2 3.74Å; V950-K1094 HydrophobicContact CG1-CD 4.35Å; V950-K1094 HydrophobicContact CG1-CG 3.77Å; V950-F1099 HydrophobicContact CG2-CE2 4.4Å; V950-F1099 HydrophobicContact CG2-CZ 4.1Å; V950-F1104 HydrophobicContact CB-CE1 4.33Å; V950-F1104 HydrophobicContact CG1-CE1 4.07Å
951	L	98.5	Very high	97.8	Very high	9 Å²	9	22.1 Å²	22.1	5%	0.047	11%	0.11	C	C	.	.	H	α-helix	trans	-67.7	-39.5	177.2	-70.2	167.2	0	0	0	112.3	H900 F902 G947 C948 V949 E954 F955 F1104 L1107 L1108	H900-L951 PolarHBondContact NE2-O 2.71Å; F902-L951 HydrophobicContact CD2-CB 4Å; F902-L951 HydrophobicContact CD2-CD1 4.17Å; F902-L951 HydrophobicContact CE2-CB 4.35Å; F902-L951 HydrophobicContact CE2-CD1 3.66Å; G947-L951 PolarHBondContact O-N 2.77Å; G947-L951 VanDerWaalsContact O-N 3.15Å; C948-L951 PolarHBondContact O-N 2.83Å; V949-L951 VanDerWaalsContact C-N 3.31Å; V949-L951 PolarHBondContact O-N 2.87Å; L951-E954 PolarHBondContact O-N 3.12Å; L951-F955 PolarHBondContact O-N 3.34Å; L951-F1104 HydrophobicContact CD1-CD1 4.07Å; L951-F1104 HydrophobicContact CD2-CB 4.43Å; L951-F1104 HydrophobicContact CD2-CD1 4.09Å; L951-F1104 HydrophobicContact CG-CD1 3.94Å; L951-L1107 HydrophobicContact CD1-CB 4.24Å; L951-L1107 HydrophobicContact CD1-CD2 3.96Å; L951-L1107 HydrophobicContact CD1-CG 4.1Å; L951-L1108 HydrophobicContact CD1-CB 4.04Å; L951-L1108 HydrophobicContact CD1-CD1 4.44Å
952	G	98.1	Very high	97.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.7	-46.8	173.7	0	0	0	0	0	113.2	C948 V949 F955 L956	C948-G952 PolarHBondContact O-N 2.93Å; V949-G952 PolarHBondContact O-N 2.91Å; G952-F955 PolarHBondContact O-N 3.31Å; G952-L956 WeakPolarHBondContact O-CG 3.46Å; G952-L956 PolarHBondContact O-N 3.36Å; G952-L956 VanDerWaalsContact O-N 3.14Å
953	I	98.3	Very high	97.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.7	-41.4	176.6	-63.8	169	0	0	0	110.7	V949 F955 L956 H957 L966 M981 D1022 W1023	V949-I953 HydrophobicContact CG1-CD1 3.65Å; V949-I953 HydrophobicContact CG1-CG1 4.27Å; V949-I953 WeakPolarHBondContact O-CG1 3.45Å; V949-I953 PolarHBondContact O-N 3.14Å; I953-F955 VanDerWaalsContact C-N 3.32Å; I953-F955 PolarHBondContact O-N 3.28Å; I953-L956 PolarHBondContact O-N 2.78Å; I953-H957 WeakPolarHBondContact CG2-NE2 3.4Å; I953-H957 WeakPolarHBondContact O-CB 3.47Å; I953-H957 PolarHBondContact O-N 3.35Å; I953-L966 HydrophobicContact CD1-CD2 4.05Å; I953-M981 HydrophobicContact CG1-CE 4.11Å; I953-D1022 HydrophobicContact CD1-CB 4.38Å; I953-D1022 HydrophobicContact CG2-CB 4.14Å; I953-W1023 HydrophobicContact CB-CH2 3.78Å; I953-W1023 HydrophobicContact CB-CZ3 3.88Å; I953-W1023 HydrophobicContact CD1-CE3 4.31Å; I953-W1023 HydrophobicContact CD1-CZ3 3.97Å; I953-W1023 HydrophobicContact CG2-CD2 4.46Å; I953-W1023 HydrophobicContact CG2-CE3 4.15Å; I953-W1023 HydrophobicContact CG2-CH2 3.38Å; I953-W1023 HydrophobicContact CG2-CZ2 3.7Å; I953-W1023 HydrophobicContact CG2-CZ3 3.62Å
954	E	98.1	Very high	97.7	Very high	48 Å²	48	20.5 Å²	20.5	22%	0.224	10%	0.1	C	C	.	.	H	α-helix	trans	-54.9	-47.2	174.8	178.7	169.1	-160.9	0	0	111.8	V950 L951 H957 S958 A1090 K1094	V950-E954 WeakPolarHBondContact O-CB 3.48Å; V950-E954 PolarHBondContact O-N 2.88Å; L951-E954 PolarHBondContact O-N 3.12Å; E954-H957 PolarHBondContact O-N 2.77Å; E954-S958 WeakPolarHBondContact O-CB 3.47Å; E954-S958 PolarHBondContact O-N 2.78Å; E954-A1090 HydrophobicContact CB-CB 3.56Å; E954-A1090 HydrophobicContact CG-CB 3.74Å; E954-K1094 IonicContact OE1-NZ 2.78Å; E954-K1094 PolarHBondContact OE1-NZ 3.47Å; E954-K1094 WeakPolarHBondContact OE2-CE 3.47Å; E954-K1094 IonicContact OE2-NZ 2.68Å; E954-K1094 PolarHBondContact OE2-NZ 3.45Å
955	F	98.1	Very high	97.6	Very high	26 Å²	26	20.6 Å²	20.6	11%	0.114	10%	0.101	C	C	.	.	H	α-helix	trans	-59.3	-50.2	175.4	173.7	-94.1	0	0	0	111.6	I894 I895 A898 H900 L903 L951 G952 I953 H957 S958 K959	I894-F955 HydrophobicContact CG2-CE1 4.45Å; I894-F955 HydrophobicContact CG2-CZ 4.21Å; I895-F955 HydrophobicContact CG1-CE1 3.99Å; A898-F955 HydrophobicContact CB-CD2 4.47Å; A898-F955 HydrophobicContact CB-CE2 3.33Å; A898-F955 HydrophobicContact CB-CZ 3.38Å; H900-F955 HydrophobicContact CB-CG 4.46Å; H900-F955 AromaticContact CD2-CD2 3.95Å; H900-F955 AromaticContact CD2-CG 3.8Å; L903-F955 HydrophobicContact CD1-CD1 3.46Å; L903-F955 VanDerWaalsContact CD1-CD1 3.46Å; L903-F955 HydrophobicContact CD1-CE1 4.04Å; L903-F955 HydrophobicContact CD1-CG 4.29Å; L951-F955 PolarHBondContact O-N 3.34Å; G952-F955 PolarHBondContact O-N 3.31Å; I953-F955 VanDerWaalsContact C-N 3.32Å; I953-F955 PolarHBondContact O-N 3.28Å; F955-H957 PolarHBondContact O-N 3.46Å; F955-S958 WeakPolarHBondContact O-CB 3.17Å; F955-S958 PolarHBondContact O-N 3.41Å; F955-S958 PolarHBondContact O-OG 2.8Å; F955-K959 HydrophobicContact CE1-CG 4.16Å; F955-K959 HydrophobicContact CE2-CG 4.3Å; F955-K959 HydrophobicContact CZ-CD 4.48Å; F955-K959 HydrophobicContact CZ-CG 3.99Å; F955-K959 WeakPolarHBondContact O-CG 3.41Å; F955-K959 PolarHBondContact O-N 3Å
956	L	98	Very high	97.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.5	-47.5	179.9	-66.8	173.2	0	0	0	111.6	I891 I895 L903 G952 I953 S958 K959 K960 I961 Y963 F984	I891-L956 HydrophobicContact CG2-CD2 4.48Å; I895-L956 HydrophobicContact CD1-CD2 4.18Å; I895-L956 HydrophobicContact CG1-CD2 4.36Å; L903-L956 HydrophobicContact CD1-CD2 4.15Å; L903-L956 HydrophobicContact CD1-CG 4.19Å; L903-L956 HydrophobicContact CD2-CD1 4.44Å; G952-L956 WeakPolarHBondContact O-CG 3.46Å; G952-L956 PolarHBondContact O-N 3.36Å; G952-L956 VanDerWaalsContact O-N 3.14Å; I953-L956 PolarHBondContact O-N 2.78Å; L956-S958 VanDerWaalsContact C-N 3.3Å; L956-S958 PolarHBondContact O-N 2.57Å; L956-K959 CarbonylContact O-C 3.54Å; L956-K959 WeakPolarHBondContact O-CA 3.29Å; L956-K959 WeakPolarHBondContact O-CB 3.39Å; L956-K959 PolarHBondContact O-N 3.25Å; L956-K960 PolarHBondContact O-N 3.18Å; L956-I961 CarbonylContact C-O 3.58Å; L956-I961 HydrophobicContact CB-CB 4.18Å; L956-I961 HydrophobicContact CB-CG2 4.42Å; L956-I961 HydrophobicContact CD2-CB 4.35Å; L956-I961 HydrophobicContact CD2-CD1 4.36Å; L956-I961 HydrophobicContact CD2-CG2 4.13Å; L956-I961 WeakPolarHBondContact O-CB 3.48Å; L956-I961 PolarHBondContact O-N 3.49Å; L956-Y963 HydrophobicContact CD1-CD2 3.94Å; L956-Y963 HydrophobicContact CD1-CG 4.3Å; L956-F984 HydrophobicContact CD1-CE1 4.26Å; L956-F984 HydrophobicContact CD2-CE1 4.48Å
957	H	97.9	Very high	97.1	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.019	11%	0.108	C	C	.	.	H	α-helix	trans	-60.8	-37.2	176.4	-76.5	-167.2	0	0	0	112.2	I953 E954 F955 K959 K960 I961 D1022 W1023 D1089	I953-H957 WeakPolarHBondContact CG2-NE2 3.4Å; I953-H957 WeakPolarHBondContact O-CB 3.47Å; I953-H957 PolarHBondContact O-N 3.35Å; E954-H957 PolarHBondContact O-N 2.77Å; F955-H957 PolarHBondContact O-N 3.46Å; H957-K959 PolarHBondContact O-N 2.81Å; H957-K960 PolarHBondContact O-N 2.74Å; H957-I961 PolarHBondContact CD2-O 2.93Å; H957-I961 PolarHBondContact N-O 3.3Å; H957-D1022 IonicContact NE2-OD2 2.95Å; H957-D1022 PolarHBondContact NE2-OD2 3.44Å; H957-W1023 AromaticContact CE1-CE2 3.64Å; H957-W1023 AromaticContact CE1-CZ2 3.83Å; H957-W1023 AromaticContact CE1-NE1 3.5Å; H957-W1023 AromaticContact ND1-CE2 3.82Å; H957-W1023 AromaticContact ND1-CZ2 3.65Å; H957-W1023 AromaticContact ND1-NE1 3.72Å; H957-D1089 VanDerWaalsContact CB-OD2 3.29Å; H957-D1089 WeakPolarHBondContact CB-OD2 3.46Å; H957-D1089 IonicContact CE1-OD1 3.05Å; H957-D1089 IonicContact CG-OD2 3.21Å; H957-D1089 VanDerWaalsContact ND1-CG 3.26Å; H957-D1089 IonicContact ND1-OD1 3.38Å; H957-D1089 PolarHBondContact ND1-OD1 3.22Å; H957-D1089 IonicContact ND1-OD2 2.72Å; H957-D1089 PolarHBondContact ND1-OD2 3.13Å
958	S	97	Very high	96.8	Very high	82 Å²	82	22.2 Å²	22.2	57%	0.573	11%	0.108	S	C	*	.	H	α-helix	trans	-62.7	-30.2	174.1	84.2	0	0	0	0	112.8	E954 F955 L956 K960	E954-S958 WeakPolarHBondContact O-CB 3.47Å; E954-S958 PolarHBondContact O-N 2.78Å; F955-S958 WeakPolarHBondContact O-CB 3.17Å; F955-S958 PolarHBondContact O-N 3.41Å; F955-S958 PolarHBondContact O-OG 2.8Å; L956-S958 VanDerWaalsContact C-N 3.3Å; L956-S958 PolarHBondContact O-N 2.57Å; S958-K960 VanDerWaalsContact C-N 3.3Å
959	K	97.1	Very high	96.5	Very high	104 Å²	104	26 Å²	26	45%	0.452	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	6.7	174.1	-58.8	-62.3	-177.5	178.4	0	113.1	I894 F955 L956 H957 I961	I894-K959 HydrophobicContact CG2-CB 4.33Å; I894-K959 HydrophobicContact CG2-CD 3.95Å; I894-K959 HydrophobicContact CG2-CG 3.81Å; F955-K959 HydrophobicContact CE1-CG 4.16Å; F955-K959 HydrophobicContact CE2-CG 4.3Å; F955-K959 HydrophobicContact CZ-CD 4.48Å; F955-K959 HydrophobicContact CZ-CG 3.99Å; F955-K959 WeakPolarHBondContact O-CG 3.41Å; F955-K959 PolarHBondContact O-N 3Å; L956-K959 CarbonylContact O-C 3.54Å; L956-K959 WeakPolarHBondContact O-CA 3.29Å; L956-K959 WeakPolarHBondContact O-CB 3.39Å; L956-K959 PolarHBondContact O-N 3.25Å; H957-K959 PolarHBondContact O-N 2.81Å; K959-I961 VanDerWaalsContact C-N 3.33Å; K959-I961 HydrophobicContact CB-CD1 3.77Å; K959-I961 HydrophobicContact CB-CG1 4.13Å
960	K	97.2	Very high	96.3	Very high	116 Å²	116	26.7 Å²	26.7	50%	0.504	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	41.8	-173.1	-52.4	-174.6	-178.6	-171.3	0	112.6	L956 H957 S958 E989 G990 M991	L956-K960 PolarHBondContact O-N 3.18Å; H957-K960 PolarHBondContact O-N 2.74Å; S958-K960 VanDerWaalsContact C-N 3.3Å; K960-E989 CarbonylContact O-C 3.54Å; K960-G990 PolarHBondContact O-N 3.44Å; K960-M991 CarbonylContact C-O 3.55Å; K960-M991 WeakPolarHBondContact CA-O 3.41Å; K960-M991 PolarHBondContact O-N 3.48Å
961	I	97.5	Very high	96.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.4	176.4	-59.4	164.8	0	0	0	107.9	I891 I894 L956 H957 K959 C987 K988 E989	I891-I961 HydrophobicContact CD1-CG2 3.84Å; I891-I961 HydrophobicContact CG1-CD1 4.01Å; I891-I961 HydrophobicContact CG1-CG1 4.45Å; I891-I961 HydrophobicContact CG1-CG2 4.32Å; I891-I961 HydrophobicContact CG2-CD1 4.23Å; I891-I961 HydrophobicContact CG2-CG2 4.39Å; I894-I961 HydrophobicContact CD1-CD1 4.3Å; L956-I961 CarbonylContact C-O 3.58Å; L956-I961 HydrophobicContact CB-CB 4.18Å; L956-I961 HydrophobicContact CB-CG2 4.42Å; L956-I961 HydrophobicContact CD2-CB 4.35Å; L956-I961 HydrophobicContact CD2-CD1 4.36Å; L956-I961 HydrophobicContact CD2-CG2 4.13Å; L956-I961 WeakPolarHBondContact O-CB 3.48Å; L956-I961 PolarHBondContact O-N 3.49Å; H957-I961 PolarHBondContact CD2-O 2.93Å; H957-I961 PolarHBondContact N-O 3.3Å; K959-I961 VanDerWaalsContact C-N 3.33Å; K959-I961 HydrophobicContact CB-CD1 3.77Å; K959-I961 HydrophobicContact CB-CG1 4.13Å; I961-C987 HydrophobicContact CG2-CB 4.03Å; I961-K988 WeakPolarHBondContact CA-O 3.28Å; I961-E989 HydrophobicContact CG1-CG 4.24Å
962	V	97.1	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	139.3	168.2	66.4	0	0	0	0	109.2	R964 C987 K988 M991 R1019 V1021 D1022	V962-R964 HydrophobicContact CB-CG 4.26Å; V962-R964 HydrophobicContact CG1-CG 3.76Å; V962-R964 HydrophobicContact CG2-CG 3.68Å; V962-C987 CarbonylContact O-C 3.18Å; V962-C987 WeakPolarHBondContact O-CA 3.36Å; V962-C987 WeakPolarHBondContact O-CB 3.04Å; V962-K988 HydrophobicContact CG1-CB 3.97Å; V962-K988 PolarHBondContact N-O 3.05Å; V962-K988 PolarHBondContact O-N 2.87Å; V962-M991 HydrophobicContact CB-CB 4.09Å; V962-M991 HydrophobicContact CB-CG 4.36Å; V962-M991 HydrophobicContact CG1-CB 3.93Å; V962-M991 HydrophobicContact CG1-CE 4.47Å; V962-M991 HydrophobicContact CG1-CG 3.64Å; V962-R1019 HydrophobicContact CG2-CB 4.33Å; V962-V1021 HydrophobicContact CG2-CG2 3.92Å; V962-D1022 VanDerWaalsContact CG2-OD2 3.23Å; V962-D1022 WeakPolarHBondContact CG2-OD2 3.35Å
963	Y	97	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.			trans	-86.8	-48.7	-170.5	-177.8	-108.1	0	0	0	113.4	L956 D965 L966 N970 M981 A982 F984 L986 C987 D1022	L956-Y963 HydrophobicContact CD1-CD2 3.94Å; L956-Y963 HydrophobicContact CD1-CG 4.3Å; Y963-D965 VanDerWaalsContact C-N 3.26Å; Y963-D965 WeakPolarHBondContact CE1-O 3.23Å; Y963-D965 PolarHBondContact O-N 2.93Å; Y963-D965 VanDerWaalsContact O-N 3.14Å; Y963-L966 HydrophobicContact CD1-CB 4.1Å; Y963-L966 HydrophobicContact CD1-CD1 4.28Å; Y963-L966 HydrophobicContact CE1-CB 4.17Å; Y963-L966 HydrophobicContact CE1-CD1 4.06Å; Y963-N970 WeakPolarHBondContact OH-CB 3.38Å; Y963-M981 HydrophobicContact CD1-CE 3.83Å; Y963-M981 HydrophobicContact CD2-CE 4.07Å; Y963-M981 HydrophobicContact CE1-CE 3.79Å; Y963-M981 HydrophobicContact CE2-CE 4.07Å; Y963-M981 HydrophobicContact CG-CE 3.97Å; Y963-A982 PolarHBondContact OH-O 2.82Å; Y963-F984 AromaticContact CD2-CD1 3.97Å; Y963-F984 HydrophobicContact CD2-CD1 3.97Å; Y963-F984 HydrophobicContact CD2-CE1 4.1Å; Y963-F984 AromaticContact CE2-CD1 3.83Å; Y963-F984 HydrophobicContact CE2-CD1 3.83Å; Y963-F984 AromaticContact CE2-CE1 3.87Å; Y963-F984 HydrophobicContact CE2-CE1 3.87Å; Y963-L986 CarbonylContact O-C 3.46Å; Y963-C987 WeakPolarHBondContact CD2-SG 3.46Å; Y963-D1022 WeakPolarHBondContact CB-OD2 3.42Å; Y963-D1022 PolarHBondContact N-OD2 3.32Å
964	R	95.4	Very high	95.8	Very high	31 Å²	31	28.8 Å²	28.8	12%	0.117	14%	0.143	C	C	.	.			trans	64.7	0.5	170.8	-49.6	-174.6	-66.2	174.8	-0.3	118.8	V962 L986 C987 C1001 Y1017 V1021 D1022	V962-R964 HydrophobicContact CB-CG 4.26Å; V962-R964 HydrophobicContact CG1-CG 3.76Å; V962-R964 HydrophobicContact CG2-CG 3.68Å; R964-L986 PolarHBondContact NE-O 2.82Å; R964-L986 PolarHBondContact NH2-O 2.87Å; R964-C987 PolarHBondContact NH2-O 2.88Å; R964-C1001 VanDerWaalsContact CZ-SG 3.53Å; R964-Y1017 VanDerWaalsContact CD-OH 3.27Å; R964-Y1017 WeakPolarHBondContact CD-OH 3.45Å; R964-Y1017 PolarHBondContact NH1-OH 3.34Å; R964-V1021 HydrophobicContact CG-CG2 4.2Å; R964-D1022 WeakPolarHBondContact CA-OD1 3.16Å; R964-D1022 PolarHBondContact N-OD1 2.81Å
965	D	94.1	Very high	95.6	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.053	15%	0.152	C	C	.	.			trans	-132.6	41.9	178.2	-163.1	30.5	0	0	0	112.3	Y963 K967 N970 L986	Y963-D965 VanDerWaalsContact C-N 3.26Å; Y963-D965 WeakPolarHBondContact CE1-O 3.23Å; Y963-D965 PolarHBondContact O-N 2.93Å; Y963-D965 VanDerWaalsContact O-N 3.14Å; D965-K967 PolarHBondContact O-N 2.7Å; D965-K967 IonicContact OD1-NZ 3.49Å; D965-K967 PolarHBondContact OD1-NZ 2.9Å; D965-K967 IonicContact OD2-NZ 3.56Å; D965-K967 PolarHBondContact OD2-NZ 2.91Å; D965-N970 VanDerWaalsContact CG-ND2 3.33Å; D965-N970 PolarHBondContact O-ND2 2.79Å; D965-N970 PolarHBondContact OD2-ND2 3.02Å; D965-L986 HydrophobicContact CB-CB 4.03Å; D965-L986 HydrophobicContact CB-CD1 3.9Å; D965-L986 HydrophobicContact CB-CG 4.45Å
966	L	94.4	Very high	95.5	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	17%	0.171	C	C	.	.			trans	-72.7	115.4	178	-165	73	0	0	0	110.4	V949 I953 Y963 L971 M981 F1006 L1026 L1029	V949-L966 HydrophobicContact CG1-CD1 3.7Å; V949-L966 HydrophobicContact CG1-CD2 3.96Å; V949-L966 HydrophobicContact CG1-CG 4.47Å; I953-L966 HydrophobicContact CD1-CD2 4.05Å; Y963-L966 HydrophobicContact CD1-CB 4.1Å; Y963-L966 HydrophobicContact CD1-CD1 4.28Å; Y963-L966 HydrophobicContact CE1-CB 4.17Å; Y963-L966 HydrophobicContact CE1-CD1 4.06Å; L966-L971 HydrophobicContact CD1-CD2 4.23Å; L966-M981 HydrophobicContact CD1-CE 3.85Å; L966-F1006 WeakPolarHBondContact O-CD1 3.45Å; L966-F1006 WeakPolarHBondContact O-CE1 3.45Å; L966-F1006 WeakPolarHBondContact O-CG 3.32Å; L966-L1026 HydrophobicContact CD2-CB 4.19Å; L966-L1029 HydrophobicContact CD2-CB 4.43Å; L966-L1029 HydrophobicContact CD2-CD2 4.13Å; L966-L1029 HydrophobicContact CG-CD2 4.37Å
967	K	92.2	Very high	95.3	Very high	30 Å²	30	33.3 Å²	33.3	13%	0.13	17%	0.171	C	C	.	.			trans	-156.7	163.8	176.2	60.9	178.2	174	-104.3	0	109.9	D965 D969 N970 T1003 F1006	D965-K967 PolarHBondContact O-N 2.7Å; D965-K967 IonicContact OD1-NZ 3.49Å; D965-K967 PolarHBondContact OD1-NZ 2.9Å; D965-K967 IonicContact OD2-NZ 3.56Å; D965-K967 PolarHBondContact OD2-NZ 2.91Å; K967-D969 VanDerWaalsContact C-N 3.31Å; K967-D969 HydrophobicContact CD-CB 4.28Å; K967-D969 HydrophobicContact CG-CB 4.38Å; K967-D969 PolarHBondContact O-N 3.11Å; K967-N970 VanDerWaalsContact CE-OD1 3.28Å; K967-N970 WeakPolarHBondContact CE-OD1 3.49Å; K967-N970 HydrophobicContact CG-CB 4.08Å; K967-N970 PolarHBondContact NZ-ND2 2.97Å; K967-N970 PolarHBondContact O-N 3.34Å; K967-T1003 PolarHBondContact NZ-OG1 3.31Å; K967-F1006 HydrophobicContact CB-CD2 3.77Å; K967-F1006 HydrophobicContact CB-CE1 4.4Å; K967-F1006 HydrophobicContact CB-CE2 3.47Å; K967-F1006 VanDerWaalsContact CB-CE2 3.47Å; K967-F1006 HydrophobicContact CB-CG 4.38Å; K967-F1006 HydrophobicContact CB-CZ 3.81Å
968	L	92.6	Very high	95.3	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-62.4	-34.2	-176.5	-68.6	167.5	0	0	0	113.6	L928 M929 I932 N970 L971 L1029 E1032 M1033	L928-L968 HydrophobicContact CB-CD2 4.11Å; M929-L968 HydrophobicContact CB-CB 3.75Å; M929-L968 HydrophobicContact CG-CB 4.46Å; M929-L968 HydrophobicContact SD-CB 4.27Å; M929-L968 HydrophobicContact SD-CD1 3.93Å; I932-L968 HydrophobicContact CD1-CD1 3.47Å; I932-L968 VanDerWaalsContact CD1-CD1 3.47Å; I932-L968 HydrophobicContact CD1-CD2 3.37Å; I932-L968 HydrophobicContact CD1-CG 4.01Å; L968-N970 VanDerWaalsContact C-N 3.26Å; L968-N970 PolarHBondContact O-N 2.83Å; L968-L971 PolarHBondContact O-N 2.86Å; L968-L1029 HydrophobicContact CD2-CD1 3.64Å; L968-L1029 HydrophobicContact CD2-CG 4.43Å; L968-L1029 HydrophobicContact CG-CD1 3.92Å; L968-E1032 HydrophobicContact CD1-CB 4.04Å; L968-M1033 HydrophobicContact CD2-CG 4.07Å
969	D	90.9	Very high	95.3	Very high	80 Å²	80	29.5 Å²	29.5	43%	0.428	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-66.5	-25.9	179.5	-40.8	-104.6	0	0	0	113	K967 L971	K967-D969 VanDerWaalsContact C-N 3.31Å; K967-D969 HydrophobicContact CD-CB 4.28Å; K967-D969 HydrophobicContact CG-CB 4.38Å; K967-D969 PolarHBondContact O-N 3.11Å; D969-L971 VanDerWaalsContact C-N 3.33Å
970	N	94.6	Very high	95.3	Very high	13 Å²	13	25.2 Å²	25.2	7%	0.07	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-89.6	1.7	179.3	-75.6	-0.5	0	0	0	112.8	Y963 D965 K967 L968 A982	Y963-N970 WeakPolarHBondContact OH-CB 3.38Å; D965-N970 VanDerWaalsContact CG-ND2 3.33Å; D965-N970 PolarHBondContact O-ND2 2.79Å; D965-N970 PolarHBondContact OD2-ND2 3.02Å; K967-N970 VanDerWaalsContact CE-OD1 3.28Å; K967-N970 WeakPolarHBondContact CE-OD1 3.49Å; K967-N970 HydrophobicContact CG-CB 4.08Å; K967-N970 PolarHBondContact NZ-ND2 2.97Å; K967-N970 PolarHBondContact O-N 3.34Å; L968-N970 VanDerWaalsContact C-N 3.26Å; L968-N970 PolarHBondContact O-N 2.83Å; N970-A982 PolarHBondContact O-N 2.8Å
971	L	96.7	Very high	95.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	95.9	179.4	-60.4	-178.4	0	0	0	109.1	D927 L928 V949 L966 L968 D969 V979 M981 L1029	D927-L971 CarbonylContact C-O 3.49Å; D927-L971 WeakPolarHBondContact CA-O 3.4Å; L928-L971 HydrophobicContact CB-CB 4.35Å; L928-L971 HydrophobicContact CD1-CB 3.76Å; L928-L971 HydrophobicContact CD1-CD1 3.88Å; L928-L971 HydrophobicContact CD1-CG 4.49Å; L928-L971 HydrophobicContact CG-CB 4.02Å; L928-L971 PolarHBondContact N-O 3.26Å; V949-L971 HydrophobicContact CG2-CD1 3.7Å; V949-L971 HydrophobicContact CG2-CD2 3.8Å; V949-L971 HydrophobicContact CG2-CG 4.42Å; L966-L971 HydrophobicContact CD1-CD2 4.23Å; L968-L971 PolarHBondContact O-N 2.86Å; D969-L971 VanDerWaalsContact C-N 3.33Å; L971-V979 HydrophobicContact CB-CG1 4Å; L971-V979 HydrophobicContact CD2-CG1 3.95Å; L971-V979 HydrophobicContact CG-CG1 4.41Å; L971-M981 HydrophobicContact CD2-CB 4.21Å; L971-M981 HydrophobicContact CD2-CG 3.63Å; L971-L1029 HydrophobicContact CD1-CD1 3.8Å; L971-L1029 HydrophobicContact CD1-CD2 3.68Å; L971-L1029 HydrophobicContact CD1-CG 4.32Å
972	L	96.6	Very high	95.2	Very high	37 Å²	37	20.3 Å²	20.3	19%	0.194	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	155.2	179.5	-54.3	-177.6	0	0	0	110.8	I904 A923 G926 D927 V979 K980 A982	I904-L972 HydrophobicContact CD1-CD1 4.23Å; A923-L972 HydrophobicContact CB-CB 3.68Å; A923-L972 HydrophobicContact CB-CD1 4.06Å; G926-L972 CarbonylContact O-C 3.42Å; G926-L972 VanDerWaalsContact O-CA 3.28Å; G926-L972 WeakPolarHBondContact O-CA 3.17Å; D927-L972 HydrophobicContact CB-CD2 3.99Å; L972-V979 CarbonylContact O-C 3.5Å; L972-V979 VanDerWaalsContact O-CA 3.27Å; L972-V979 WeakPolarHBondContact O-CA 3.24Å; L972-K980 PolarHBondContact N-O 3.44Å; L972-K980 PolarHBondContact O-N 3.27Å; L972-A982 HydrophobicContact CD1-CB 3.87Å; L972-A982 HydrophobicContact CG-CB 4.02Å
973	L	95.8	Very high	94.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.5	170.2	-69.2	179.1	0	0	0	110.5	A923 G925 G926 L928 L931 Y945 F978 V979 F1116	A923-L973 CarbonylContact C-O 3.48Å; A923-L973 VanDerWaalsContact C-O 3.24Å; A923-L973 WeakPolarHBondContact CB-O 3.27Å; G925-L973 VanDerWaalsContact CA-O 3.27Å; G925-L973 WeakPolarHBondContact CA-O 3.47Å; G925-L973 PolarHBondContact N-O 2.72Å; G926-L973 PolarHBondContact O-N 2.98Å; L928-L973 HydrophobicContact CD2-CD1 3.99Å; L928-L973 HydrophobicContact CD2-CD2 3.82Å; L928-L973 HydrophobicContact CD2-CG 3.92Å; L931-L973 HydrophobicContact CD2-CD1 4.13Å; Y945-L973 HydrophobicContact CE1-CD2 3.85Å; L973-F978 WeakPolarHBondContact CA-O 3.5Å; L973-V979 HydrophobicContact CD2-CG2 3.75Å; L973-F1116 HydrophobicContact CD1-CD1 3.98Å; L973-F1116 HydrophobicContact CD1-CE1 4.02Å
974	D	94.3	Very high	94.8	Very high	15 Å²	15	23.8 Å²	23.8	8%	0.08	13%	0.125	C	C	.	.			trans	-77.2	179	164.8	64.3	27	0	0	0	111.9	E976 G977 F978 K980 P1118	D974-E976 PolarHBondContact O-N 2.77Å; D974-E976 WeakPolarHBondContact OD1-CA 3.21Å; D974-E976 PolarHBondContact OD1-N 3.44Å; D974-G977 PolarHBondContact O-N 2.94Å; D974-G977 PolarHBondContact OD1-N 2.89Å; D974-F978 PolarHBondContact N-O 3.49Å; D974-F978 PolarHBondContact OD1-N 3.29Å; D974-F978 WeakPolarHBondContact OD2-CB 3.42Å; D974-K980 HydrophobicContact CB-CD 4.25Å; D974-P1118 VanDerWaalsContact O-CG 3.26Å; D974-P1118 WeakPolarHBondContact O-CG 3.44Å
975	S	93.4	Very high	94.5	Very high	59 Å²	59	23 Å²	23	41%	0.413	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.4	179.7	50.8	0	0	0	0	114.1
976	E	95	Very high	94.2	Very high	110 Å²	110	25.3 Å²	25.3	51%	0.514	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-19.9	178.4	-58.6	-168.7	134.7	0	0	111.9	D974 F978 P1114 V1117	D974-E976 PolarHBondContact O-N 2.77Å; D974-E976 WeakPolarHBondContact OD1-CA 3.21Å; D974-E976 PolarHBondContact OD1-N 3.44Å; E976-F978 HydrophobicContact CB-CD2 3.99Å; E976-F978 HydrophobicContact CB-CE2 4.19Å; E976-P1114 WeakPolarHBondContact O-CG 3.37Å; E976-V1117 WeakPolarHBondContact O-CG2 3.48Å
977	G	95	Very high	94.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	101.2	13.9	179.6	0	0	0	0	0	114.4	D974 P1114 F1116	D974-G977 PolarHBondContact O-N 2.94Å; D974-G977 PolarHBondContact OD1-N 2.89Å; G977-P1114 WeakPolarHBondContact O-CB 3.2Å; G977-F1116 WeakPolarHBondContact CA-O 3.38Å
978	F	97.2	Very high	94.3	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.026	15%	0.149	C	C	.	.			trans	-80.6	149.8	168.7	-63.9	-82.6	0	0	0	111	F902 F944 L973 D974 E976 L1107 Q1110 I1112 P1114	F902-F978 HydrophobicContact CD1-CB 4.36Å; F902-F978 HydrophobicContact CE1-CB 4.03Å; F902-F978 AromaticContact CE1-CD1 3.71Å; F902-F978 HydrophobicContact CE1-CD1 3.71Å; F902-F978 HydrophobicContact CE1-CG 4.16Å; F902-F978 HydrophobicContact CZ-CD1 4.3Å; F944-F978 HydrophobicContact CE1-CD1 4.31Å; F944-F978 HydrophobicContact CE2-CE1 4.29Å; F944-F978 AromaticContact CZ-CD1 3.63Å; F944-F978 HydrophobicContact CZ-CD1 3.63Å; F944-F978 AromaticContact CZ-CE1 3.68Å; F944-F978 HydrophobicContact CZ-CE1 3.68Å; L973-F978 WeakPolarHBondContact CA-O 3.5Å; D974-F978 PolarHBondContact N-O 3.49Å; D974-F978 PolarHBondContact OD1-N 3.29Å; D974-F978 WeakPolarHBondContact OD2-CB 3.42Å; E976-F978 HydrophobicContact CB-CD2 3.99Å; E976-F978 HydrophobicContact CB-CE2 4.19Å; F978-L1107 HydrophobicContact CE1-CD1 4.45Å; F978-Q1110 HydrophobicContact CD1-CG 4.33Å; F978-Q1110 HydrophobicContact CD2-CG 4.34Å; F978-Q1110 HydrophobicContact CE1-CB 4.12Å; F978-Q1110 HydrophobicContact CE1-CG 4.14Å; F978-Q1110 HydrophobicContact CE2-CB 3.92Å; F978-Q1110 HydrophobicContact CE2-CG 4.16Å; F978-Q1110 HydrophobicContact CG-CG 4.44Å; F978-Q1110 HydrophobicContact CZ-CB 3.66Å; F978-Q1110 HydrophobicContact CZ-CG 4.05Å; F978-Q1110 WeakPolarHBondContact CZ-O 3.18Å; F978-I1112 WeakPolarHBondContact CE1-O 3.22Å; F978-I1112 WeakPolarHBondContact CZ-O 3.1Å; F978-P1114 HydrophobicContact CD1-CG 4Å; F978-P1114 HydrophobicContact CD2-CG 3.82Å; F978-P1114 HydrophobicContact CE1-CG 3.87Å; F978-P1114 HydrophobicContact CE2-CG 3.68Å; F978-P1114 HydrophobicContact CG-CG 3.98Å; F978-P1114 HydrophobicContact CZ-CG 3.7Å
979	V	97.2	Very high	94.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.4	178.2	166	0	0	0	0	110.9	F902 L928 Y945 C948 V949 L971 L972 L973	F902-V979 WeakPolarHBondContact CA-O 3.21Å; F902-V979 WeakPolarHBondContact CB-O 3.45Å; F902-V979 VanDerWaalsContact CD1-O 3.28Å; F902-V979 WeakPolarHBondContact CD1-O 3.26Å; L928-V979 HydrophobicContact CD1-CG2 3.83Å; L928-V979 HydrophobicContact CD2-CG2 4.31Å; L928-V979 HydrophobicContact CG-CG2 4.24Å; Y945-V979 HydrophobicContact CD1-CG2 3.36Å; Y945-V979 HydrophobicContact CE1-CG2 3.96Å; Y945-V979 HydrophobicContact CG-CG2 4.12Å; C948-V979 HydrophobicContact CB-CB 3.99Å; V949-V979 HydrophobicContact CG2-CG1 4.31Å; L971-V979 HydrophobicContact CB-CG1 4Å; L971-V979 HydrophobicContact CD2-CG1 3.95Å; L971-V979 HydrophobicContact CG-CG1 4.41Å; L972-V979 CarbonylContact O-C 3.5Å; L972-V979 VanDerWaalsContact O-CA 3.27Å; L972-V979 WeakPolarHBondContact O-CA 3.24Å; L973-V979 HydrophobicContact CD2-CG2 3.75Å
980	K	97	Very high	94.5	Very high	15 Å²	15	28.2 Å²	28.2	7%	0.065	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.5	168.6	-70.2	177.2	171.5	-74.3	0	109.5	P901 F902 I904 E921 L972 D974	P901-K980 PolarHBondContact O-NZ 3.36Å; F902-K980 WeakPolarHBondContact O-CA 3.36Å; I904-K980 HydrophobicContact CD1-CB 3.65Å; I904-K980 HydrophobicContact CD1-CD 4.02Å; I904-K980 HydrophobicContact CD1-CG 4.44Å; I904-K980 HydrophobicContact CG1-CB 3.98Å; E921-K980 IonicContact OE1-NZ 3.83Å; E921-K980 PolarHBondContact OE1-NZ 3.4Å; E921-K980 WeakPolarHBondContact OE2-CE 3.29Å; E921-K980 IonicContact OE2-NZ 2.83Å; E921-K980 PolarHBondContact OE2-NZ 3.26Å; L972-K980 PolarHBondContact N-O 3.44Å; L972-K980 PolarHBondContact O-N 3.27Å; D974-K980 HydrophobicContact CB-CD 4.25Å
981	M	97.9	Very high	94.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	131.2	174.7	-52.8	175.5	56.5	0	0	109.9	F902 L903 I904 I953 Y963 L966 L971 F984	F902-M981 PolarHBondContact O-N 3.03Å; L903-M981 HydrophobicContact CD2-CB 3.71Å; L903-M981 HydrophobicContact CD2-CG 3.92Å; L903-M981 HydrophobicContact CD2-SD 3.61Å; I904-M981 WeakPolarHBondContact CG1-O 3.34Å; I904-M981 PolarHBondContact N-O 3.2Å; I953-M981 HydrophobicContact CG1-CE 4.11Å; Y963-M981 HydrophobicContact CD1-CE 3.83Å; Y963-M981 HydrophobicContact CD2-CE 4.07Å; Y963-M981 HydrophobicContact CE1-CE 3.79Å; Y963-M981 HydrophobicContact CE2-CE 4.07Å; Y963-M981 HydrophobicContact CG-CE 3.97Å; L966-M981 HydrophobicContact CD1-CE 3.85Å; L971-M981 HydrophobicContact CD2-CB 4.21Å; L971-M981 HydrophobicContact CD2-CG 3.63Å; M981-F984 VanDerWaalsContact O-CZ 3.28Å; M981-F984 WeakPolarHBondContact O-CZ 3.48Å
982	A	94.9	Very high	94.2	Very high	14 Å²	14	27.6 Å²	27.6	12%	0.116	16%	0.16	C	C	.	.			trans	-115	-175.8	-177.4	0	0	0	0	0	112.1	I904 Y963 N970 L972	I904-A982 HydrophobicContact CG1-CB 3.91Å; Y963-A982 PolarHBondContact OH-O 2.82Å; N970-A982 PolarHBondContact O-N 2.8Å; L972-A982 HydrophobicContact CD1-CB 3.87Å; L972-A982 HydrophobicContact CG-CB 4.02Å
983	D	91.5	Very high	93.9	Very high	69 Å²	69	28.8 Å²	28.8	37%	0.369	17%	0.169	S	C	.	.			trans	45.2	75.9	174.6	-153.9	4.5	0	0	0	116.6	K869 G985	K869-D983 IonicContact NZ-OD1 2.79Å; K869-D983 PolarHBondContact NZ-OD1 3.38Å; D983-G985 PolarHBondContact O-N 2.88Å
984	F	93.2	Very high	93.6	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.018	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-81.1	9.5	178.5	-57.6	-86.5	0	0	0	113.7	E888 I891 L892 I895 L903 I904 L956 Y963 M981 L986 C987	E888-F984 HydrophobicContact CG-CB 4.27Å; I891-F984 HydrophobicContact CG2-CB 4.13Å; I891-F984 HydrophobicContact CG2-CD1 4.06Å; I891-F984 HydrophobicContact CG2-CG 4.21Å; L892-F984 HydrophobicContact CD2-CD2 3.51Å; L892-F984 HydrophobicContact CD2-CE2 3.78Å; L892-F984 HydrophobicContact CD2-CG 4.48Å; L892-F984 HydrophobicContact CG-CD2 4.08Å; I895-F984 HydrophobicContact CD1-CD1 3.83Å; I895-F984 HydrophobicContact CD1-CD2 4.21Å; I895-F984 HydrophobicContact CD1-CE1 3.46Å; I895-F984 VanDerWaalsContact CD1-CE1 3.46Å; I895-F984 HydrophobicContact CD1-CE2 3.86Å; I895-F984 HydrophobicContact CD1-CG 4.21Å; I895-F984 HydrophobicContact CD1-CZ 3.49Å; I895-F984 VanDerWaalsContact CD1-CZ 3.49Å; L903-F984 HydrophobicContact CB-CZ 4.15Å; L903-F984 HydrophobicContact CD2-CE1 4.17Å; L903-F984 HydrophobicContact CD2-CZ 4.11Å; I904-F984 HydrophobicContact CB-CE2 4.39Å; L956-F984 HydrophobicContact CD1-CE1 4.26Å; L956-F984 HydrophobicContact CD2-CE1 4.48Å; Y963-F984 AromaticContact CD2-CD1 3.97Å; Y963-F984 HydrophobicContact CD2-CD1 3.97Å; Y963-F984 HydrophobicContact CD2-CE1 4.1Å; Y963-F984 AromaticContact CE2-CD1 3.83Å; Y963-F984 HydrophobicContact CE2-CD1 3.83Å; Y963-F984 AromaticContact CE2-CE1 3.87Å; Y963-F984 HydrophobicContact CE2-CE1 3.87Å; M981-F984 VanDerWaalsContact O-CZ 3.28Å; M981-F984 WeakPolarHBondContact O-CZ 3.48Å; F984-L986 PolarHBondContact O-N 3.33Å; F984-L986 VanDerWaalsContact O-N 3.13Å; F984-C987 VanDerWaalsContact O-CB 3.3Å; F984-C987 WeakPolarHBondContact O-CB 3.48Å; F984-C987 PolarHBondContact O-N 3.46Å; F984-C987 PolarHBondContact O-SG 3.45Å
985	G	89.1	Confident	93.6	Very high	15 Å²	15	38.5 Å²	38.5	16%	0.155	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-64.3	-15.8	-176	0	0	0	0	0	115.4	T884 D983	T884-G985 VanDerWaalsContact CG2-O 3.25Å; T884-G985 WeakPolarHBondContact CG2-O 3.42Å; D983-G985 PolarHBondContact O-N 2.88Å
986	L	88.9	Confident	93.5	Very high	58 Å²	58	42 Å²	42	30%	0.304	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-106.1	5.2	172.9	-68.9	-173.6	0	0	0	114	Y963 R964 D965 F984 C1001	Y963-L986 CarbonylContact O-C 3.46Å; R964-L986 PolarHBondContact NE-O 2.82Å; R964-L986 PolarHBondContact NH2-O 2.87Å; D965-L986 HydrophobicContact CB-CB 4.03Å; D965-L986 HydrophobicContact CB-CD1 3.9Å; D965-L986 HydrophobicContact CB-CG 4.45Å; F984-L986 PolarHBondContact O-N 3.33Å; F984-L986 VanDerWaalsContact O-N 3.13Å; L986-C1001 HydrophobicContact CD1-CB 4.48Å; L986-C1001 HydrophobicContact CD2-CB 4.1Å
987	C	95.1	Very high	93.3	Very high	8 Å²	8	37 Å²	37	5%	0.054	20%	0.202	C	C	.	.			trans	-66.8	166	176.4	-65.5	0	0	0	0	112.6	I891 I961 V962 Y963 R964 F984	I891-C987 HydrophobicContact CD1-CB 3.34Å; I961-C987 HydrophobicContact CG2-CB 4.03Å; V962-C987 CarbonylContact O-C 3.18Å; V962-C987 WeakPolarHBondContact O-CA 3.36Å; V962-C987 WeakPolarHBondContact O-CB 3.04Å; Y963-C987 WeakPolarHBondContact CD2-SG 3.46Å; R964-C987 PolarHBondContact NH2-O 2.88Å; F984-C987 VanDerWaalsContact O-CB 3.3Å; F984-C987 WeakPolarHBondContact O-CB 3.48Å; F984-C987 PolarHBondContact O-N 3.46Å; F984-C987 PolarHBondContact O-SG 3.45Å
988	K	93.2	Very high	93	Very high	69 Å²	69	39 Å²	39	30%	0.3	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	123	170.5	174.8	167	172.5	169.1	0	111.8	I961 V962 M991 T997	I961-K988 WeakPolarHBondContact CA-O 3.28Å; V962-K988 HydrophobicContact CG1-CB 3.97Å; V962-K988 PolarHBondContact N-O 3.05Å; V962-K988 PolarHBondContact O-N 2.87Å; K988-M991 HydrophobicContact CB-CG 4.37Å; K988-M991 HydrophobicContact CD-CG 4.31Å; K988-M991 HydrophobicContact CD-SD 4.39Å; K988-M991 HydrophobicContact CG-CG 3.94Å; K988-T997 HydrophobicContact CD-CG2 4.33Å; K988-T997 WeakPolarHBondContact CD-OG1 3.38Å; K988-T997 PolarHBondContact NZ-OG1 3.17Å
989	E	94	Very high	92.5	Very high	51 Å²	51	41.7 Å²	41.7	24%	0.238	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	160.2	170.2	-58.8	175.9	102.4	0	0	111.6	T887 R890 I891 K960 I961	T887-E989 HydrophobicContact CG2-CG 4.14Å; R890-E989 IonicContact CZ-OE2 3.19Å; R890-E989 IonicContact NE-OE1 3.65Å; R890-E989 IonicContact NE-OE2 2.78Å; R890-E989 PolarHBondContact NE-OE2 3.05Å; R890-E989 IonicContact NH2-OE2 2.79Å; R890-E989 PolarHBondContact NH2-OE2 2.97Å; I891-E989 HydrophobicContact CD1-CG 3.91Å; I891-E989 HydrophobicContact CG1-CG 3.72Å; K960-E989 CarbonylContact O-C 3.54Å; I961-E989 HydrophobicContact CG1-CG 4.24Å
990	G	93.3	Very high	92	Very high	48 Å²	48	45.2 Å²	45.2	50%	0.495	25%	0.249	S	C	.	.	S	Bend	trans	76	28.2	178.5	0	0	0	0	0	114	K960 D995	K960-G990 PolarHBondContact O-N 3.44Å; G990-D995 WeakPolarHBondContact O-CB 3.5Å
991	M	94.1	Very high	91.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.253	C	S	.	.			trans	-114.4	72.2	-179.1	-69.3	-68.5	-50.2	0	0	110.5	K960 V962 K988 D995 T997	K960-M991 CarbonylContact C-O 3.55Å; K960-M991 WeakPolarHBondContact CA-O 3.41Å; K960-M991 PolarHBondContact O-N 3.48Å; V962-M991 HydrophobicContact CB-CB 4.09Å; V962-M991 HydrophobicContact CB-CG 4.36Å; V962-M991 HydrophobicContact CG1-CB 3.93Å; V962-M991 HydrophobicContact CG1-CE 4.47Å; V962-M991 HydrophobicContact CG1-CG 3.64Å; K988-M991 HydrophobicContact CB-CG 4.37Å; K988-M991 HydrophobicContact CD-CG 4.31Å; K988-M991 HydrophobicContact CD-SD 4.39Å; K988-M991 HydrophobicContact CG-CG 3.94Å; M991-D995 VanDerWaalsContact CE-O 3.32Å; M991-D995 WeakPolarHBondContact CE-O 3.21Å; M991-D995 HydrophobicContact SD-CB 4.35Å; M991-T997 HydrophobicContact CE-CG2 3.79Å; M991-T997 HydrophobicContact SD-CG2 3.79Å
992	G	91.8	Very high	90.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.265	C	S	.	.			trans	-74	-168.5	168.5	0	0	0	0	0	113.3	D994 D995	G992-D994 PolarHBondContact O-N 3Å; G992-D995 VanDerWaalsContact CA-OD2 3.22Å; G992-D995 WeakPolarHBondContact CA-OD2 3.47Å; G992-D995 PolarHBondContact N-OD2 3.5Å; G992-D995 PolarHBondContact O-N 3.16Å
993	P	89.7	Confident	90	Very high	62 Å²	62	47.4 Å²	47.4	40%	0.403	27%	0.268	S	S	.	.	S	Bend	trans	-59.4	-41.5	-173.9	-25.7	35.2	0	0	0	114.6
994	D	89.9	Confident	89.8	Confident	150 Å²	150	45.5 Å²	45.5	80%	0.802	26%	0.259	S	S	*	.	S	Bend	trans	-99.2	-8.7	-175.5	-53.8	-65.2	0	0	0	113.3	G992	G992-D994 PolarHBondContact O-N 3Å
995	D	93.7	Very high	89.6	Confident	70 Å²	70	48.3 Å²	48.3	37%	0.374	27%	0.272	S	S	.	.			trans	-72.5	144.4	-176.3	-68.3	-55.8	0	0	0	111.9	G990 M991 G992	G990-D995 WeakPolarHBondContact O-CB 3.5Å; M991-D995 VanDerWaalsContact CE-O 3.32Å; M991-D995 WeakPolarHBondContact CE-O 3.21Å; M991-D995 HydrophobicContact SD-CB 4.35Å; G992-D995 VanDerWaalsContact CA-OD2 3.22Å; G992-D995 WeakPolarHBondContact CA-OD2 3.47Å; G992-D995 PolarHBondContact N-OD2 3.5Å; G992-D995 PolarHBondContact O-N 3.16Å
996	R	93	Very high	89.7	Confident	132 Å²	132	48.4 Å²	48.4	50%	0.498	27%	0.269	S	S	.	.			trans	-128.5	152.4	-176.6	-55.9	-169.4	76.6	94	-2.6	112.8	S1016 Y1017 T1018	R996-S1016 PolarHBondContact NE-OG 3.17Å; R996-S1016 PolarHBondContact NH2-O 2.76Å; R996-Y1017 CarbonylContact C-O 3.6Å; R996-Y1017 VanDerWaalsContact CA-O 3.32Å; R996-Y1017 WeakPolarHBondContact CA-O 3.33Å; R996-T1018 HydrophobicContact CG-CG2 3.99Å
997	T	90.4	Very high	89.9	Confident	5 Å²	5	46 Å²	46	3%	0.031	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-140	150.4	176.2	-176	0	0	0	0	111.7	K988 M991 S1016 Y1017	K988-T997 HydrophobicContact CD-CG2 4.33Å; K988-T997 WeakPolarHBondContact CD-OG1 3.38Å; K988-T997 PolarHBondContact NZ-OG1 3.17Å; M991-T997 HydrophobicContact CE-CG2 3.79Å; M991-T997 HydrophobicContact SD-CG2 3.79Å; T997-S1016 CarbonylContact O-C 3.57Å; T997-S1016 WeakPolarHBondContact O-CA 3.3Å; T997-S1016 WeakPolarHBondContact O-CB 3.4Å; T997-Y1017 HydrophobicContact CG2-CD2 3.82Å; T997-Y1017 HydrophobicContact CG2-CE1 4.18Å; T997-Y1017 HydrophobicContact CG2-CE2 3.31Å; T997-Y1017 HydrophobicContact CG2-CG 4.44Å; T997-Y1017 PolarHBondContact N-O 3.17Å; T997-Y1017 WeakPolarHBondContact O-CD1 3.23Å; T997-Y1017 PolarHBondContact O-N 2.9Å
998	S	88.6	Confident	89.9	Confident	43 Å²	43	45.7 Å²	45.7	30%	0.301	25%	0.254	S	S	.	.			trans	-111.7	4.4	-176.9	60.7	0	0	0	0	114.2	F1000 S1015	S998-F1000 PolarHBondContact O-N 2.97Å; S998-F1000 VanDerWaalsContact O-N 3.08Å; S998-S1015 WeakPolarHBondContact CB-O 3.48Å
999	T	85.2	Confident	90	Very high	62 Å²	62	42.7 Å²	42.7	38%	0.38	24%	0.241	S	C	.	.			trans	-73.6	101.4	-176.9	-47.6	0	0	0	0	111	C1001 Y1017	T999-C1001 PolarHBondContact O-N 2.79Å; T999-C1001 PolarHBondContact O-SG 3.08Å; T999-C1001 VanDerWaalsContact O-SG 3.4Å; T999-Y1017 WeakPolarHBondContact O-CE1 3.25Å; T999-Y1017 PolarHBondContact O-OH 2.82Å
1000	F	87.5	Confident	90.1	Very high	74 Å²	74	40.5 Å²	40.5	33%	0.325	23%	0.231	S	C	.	.			trans	-61.7	113.3	167	-170.5	-82.3	0	0	0	110.9	K45 S998 L1007 V1011 L1012 F1049	K45-F1000 HydrophobicContact CD-CB 3.73Å; K45-F1000 HydrophobicContact CD-CG 4.3Å; S998-F1000 PolarHBondContact O-N 2.97Å; S998-F1000 VanDerWaalsContact O-N 3.08Å; F1000-L1007 HydrophobicContact CE1-CD1 4.27Å; F1000-L1007 HydrophobicContact CE2-CD1 4.32Å; F1000-L1007 HydrophobicContact CZ-CD1 3.82Å; F1000-V1011 HydrophobicContact CD2-CG1 4.04Å; F1000-V1011 WeakPolarHBondContact CD2-O 3.4Å; F1000-V1011 HydrophobicContact CE2-CG1 4.49Å; F1000-L1012 HydrophobicContact CE2-CD2 3.8Å; F1000-L1012 HydrophobicContact CZ-CD2 4.11Å; F1000-F1049 HydrophobicContact CZ-CZ 4.2Å
1001	C	82.2	Confident	90.1	Very high	22 Å²	22	38.9 Å²	38.9	15%	0.149	21%	0.212	C	C	.	.			trans	-162.9	161.5	177.8	57.6	0	0	0	0	110.2	R964 L986 T999 L1007	R964-C1001 VanDerWaalsContact CZ-SG 3.53Å; L986-C1001 HydrophobicContact CD1-CB 4.48Å; L986-C1001 HydrophobicContact CD2-CB 4.1Å; T999-C1001 PolarHBondContact O-N 2.79Å; T999-C1001 PolarHBondContact O-SG 3.08Å; T999-C1001 VanDerWaalsContact O-SG 3.4Å; C1001-L1007 WeakPolarHBondContact O-CD2 3.47Å
1002	G	82	Confident	89.9	Confident	24 Å²	24	39.9 Å²	39.9	25%	0.247	22%	0.217	C	C	.	.	S	Bend	trans	118.4	164.1	-177.6	0	0	0	0	0	112.6
1003	T	83.6	Confident	89.7	Confident	29 Å²	29	43.8 Å²	43.8	18%	0.178	24%	0.241	C	C	.	.			trans	-69.6	132.5	175.6	-68.1	0	0	0	0	111.3	K967 E1005 F1006 L1007	K967-T1003 PolarHBondContact NZ-OG1 3.31Å; T1003-E1005 HydrophobicContact CG2-CG 3.98Å; T1003-E1005 WeakPolarHBondContact CG2-OE1 2.99Å; T1003-E1005 PolarHBondContact O-N 2.92Å; T1003-F1006 HydrophobicContact CG2-CD2 4.07Å; T1003-F1006 PolarHBondContact O-N 2.98Å; T1003-L1007 PolarHBondContact O-N 3.12Å
1004	P	88.2	Confident	89.6	Confident	29 Å²	29	44.9 Å²	44.9	19%	0.188	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-48.1	-46.5	-171.7	-33.3	38	0	0	0	116.7	F1006 L1007 E1045 F1049 I1052	P1004-F1006 VanDerWaalsContact C-N 3.32Å; P1004-F1006 PolarHBondContact O-N 3.36Å; P1004-L1007 PolarHBondContact O-N 3.39Å; P1004-E1045 HydrophobicContact CB-CB 4.15Å; P1004-E1045 HydrophobicContact CB-CG 4.23Å; P1004-E1045 HydrophobicContact CG-CB 4.29Å; P1004-E1045 HydrophobicContact CG-CG 3.88Å; P1004-F1049 HydrophobicContact CB-CE1 3.82Å; P1004-F1049 HydrophobicContact CB-CZ 4.36Å; P1004-I1052 VanDerWaalsContact O-CD1 3.27Å; P1004-I1052 WeakPolarHBondContact O-CD1 3.17Å
1005	E	88.1	Confident	89	Confident	63 Å²	63	41.3 Å²	41.3	29%	0.294	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-69.1	-23.4	-180	52.6	-92.2	-153.2	0	0	114.8	T1003 I1048	T1003-E1005 HydrophobicContact CG2-CG 3.98Å; T1003-E1005 WeakPolarHBondContact CG2-OE1 2.99Å; T1003-E1005 PolarHBondContact O-N 2.92Å; E1005-I1048 HydrophobicContact CB-CG2 4.21Å
1006	F	91.2	Very high	88.9	Confident	17 Å²	17	39.3 Å²	39.3	8%	0.075	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-95.2	-5.4	178.7	-70.5	-87.3	0	0	0	113.5	L966 K967 T1003 P1004 A1008 V1028 L1029 E1032	L966-F1006 WeakPolarHBondContact O-CD1 3.45Å; L966-F1006 WeakPolarHBondContact O-CE1 3.45Å; L966-F1006 WeakPolarHBondContact O-CG 3.32Å; K967-F1006 HydrophobicContact CB-CD2 3.77Å; K967-F1006 HydrophobicContact CB-CE1 4.4Å; K967-F1006 HydrophobicContact CB-CE2 3.47Å; K967-F1006 VanDerWaalsContact CB-CE2 3.47Å; K967-F1006 HydrophobicContact CB-CG 4.38Å; K967-F1006 HydrophobicContact CB-CZ 3.81Å; T1003-F1006 HydrophobicContact CG2-CD2 4.07Å; T1003-F1006 PolarHBondContact O-N 2.98Å; P1004-F1006 VanDerWaalsContact C-N 3.32Å; P1004-F1006 PolarHBondContact O-N 3.36Å; F1006-A1008 PolarHBondContact O-N 3Å; F1006-V1028 HydrophobicContact CD1-CB 3.71Å; F1006-V1028 HydrophobicContact CD1-CG1 3.5Å; F1006-V1028 VanDerWaalsContact CD1-CG1 3.5Å; F1006-V1028 HydrophobicContact CE1-CB 3.89Å; F1006-V1028 HydrophobicContact CE1-CG1 3.46Å; F1006-V1028 VanDerWaalsContact CE1-CG1 3.46Å; F1006-V1028 HydrophobicContact CG-CG1 4.21Å; F1006-V1028 HydrophobicContact CZ-CG1 4.1Å; F1006-L1029 HydrophobicContact CE1-CB 4.49Å; F1006-L1029 HydrophobicContact CE1-CD1 4.42Å; F1006-E1032 VanDerWaalsContact CZ-OE2 3.22Å; F1006-E1032 WeakPolarHBondContact CZ-OE2 3.48Å
1007	L	93	Very high	88.9	Confident	7 Å²	7	33.3 Å²	33.3	4%	0.037	20%	0.199	C	C	.	.			trans	-63.8	129.5	179.9	-66.6	-175.6	0	0	0	111.4	F1000 C1001 T1003 P1004 V1011 L1012 W1024 F1049	F1000-L1007 HydrophobicContact CE1-CD1 4.27Å; F1000-L1007 HydrophobicContact CE2-CD1 4.32Å; F1000-L1007 HydrophobicContact CZ-CD1 3.82Å; C1001-L1007 WeakPolarHBondContact O-CD2 3.47Å; T1003-L1007 PolarHBondContact O-N 3.12Å; P1004-L1007 PolarHBondContact O-N 3.39Å; L1007-V1011 HydrophobicContact CD2-CG1 4.32Å; L1007-L1012 HydrophobicContact CB-CD2 4.15Å; L1007-L1012 HydrophobicContact CB-CG 4.47Å; L1007-L1012 HydrophobicContact CD1-CD2 3.7Å; L1007-W1024 PolarHBondContact O-NE1 3.45Å; L1007-W1024 VanDerWaalsContact O-NE1 3.1Å; L1007-F1049 HydrophobicContact CD1-CE1 3.85Å; L1007-F1049 HydrophobicContact CD1-CZ 4.35Å
1008	A	95.8	Very high	89.1	Confident	2 Å²	2	34.1 Å²	34.1	2%	0.017	20%	0.204	C	C	.	.			trans	-70.4	146.3	172.1	0	0	0	0	0	110.8	F1006 E1010 V1011 V1021 W1024	F1006-A1008 PolarHBondContact O-N 3Å; A1008-E1010 VanDerWaalsContact C-N 3.26Å; A1008-E1010 HydrophobicContact CB-CG 4.49Å; A1008-E1010 WeakPolarHBondContact CB-OE2 3.32Å; A1008-E1010 PolarHBondContact O-N 2.81Å; A1008-V1011 HydrophobicContact CB-CG2 4.21Å; A1008-V1011 WeakPolarHBondContact O-CB 3.18Å; A1008-V1011 PolarHBondContact O-N 3.23Å; A1008-V1021 HydrophobicContact CB-CB 4.03Å; A1008-V1021 HydrophobicContact CB-CG1 3.84Å; A1008-W1024 VanDerWaalsContact CA-CD1 3.44Å; A1008-W1024 HydrophobicContact CB-CB 3.72Å; A1008-W1024 HydrophobicContact CB-CD2 4.23Å; A1008-W1024 HydrophobicContact CB-CG 3.63Å
1009	P	95.1	Very high	89.5	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.032	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-34	-174	20.1	-30.7	0	0	0	112.9	V1011 L1012 T1013 W1024 I1052 V1053 R1077	P1009-V1011 PolarHBondContact O-N 2.86Å; P1009-L1012 CarbonylContact O-C 3.59Å; P1009-L1012 WeakPolarHBondContact O-CA 3.48Å; P1009-L1012 WeakPolarHBondContact O-CB 3.42Å; P1009-L1012 PolarHBondContact O-N 3.33Å; P1009-T1013 PolarHBondContact O-N 3.33Å; P1009-T1013 PolarHBondContact O-OG1 3.04Å; P1009-T1013 VanDerWaalsContact O-OG1 3.06Å; P1009-W1024 HydrophobicContact CG-CE3 4.2Å; P1009-W1024 HydrophobicContact CG-CH2 3.99Å; P1009-W1024 HydrophobicContact CG-CZ2 4.46Å; P1009-W1024 HydrophobicContact CG-CZ3 3.84Å; P1009-I1052 HydrophobicContact CB-CG2 4.03Å; P1009-V1053 HydrophobicContact CB-CG2 4.48Å; P1009-R1077 HydrophobicContact CG-CB 4.14Å; P1009-R1077 HydrophobicContact CG-CG 4.18Å
1010	E	95	Very high	90.1	Very high	5 Å²	5	29.8 Å²	29.8	2%	0.023	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-23.8	174.6	66.4	-89.5	-150.4	0	0	113.8	A1008 L1012 D1014 V1021 R1082	A1008-E1010 VanDerWaalsContact C-N 3.26Å; A1008-E1010 HydrophobicContact CB-CG 4.49Å; A1008-E1010 WeakPolarHBondContact CB-OE2 3.32Å; A1008-E1010 PolarHBondContact O-N 2.81Å; E1010-L1012 PolarHBondContact O-N 2.62Å; E1010-D1014 HydrophobicContact CB-CB 4.24Å; E1010-D1014 WeakPolarHBondContact O-CA 3.22Å; E1010-D1014 VanDerWaalsContact O-CB 3.29Å; E1010-D1014 WeakPolarHBondContact O-CB 3.43Å; E1010-D1014 PolarHBondContact O-N 2.89Å; E1010-V1021 HydrophobicContact CG-CG1 4.24Å; E1010-R1082 IonicContact OE1-CZ 3.54Å; E1010-R1082 IonicContact OE1-NH1 3.66Å; E1010-R1082 PolarHBondContact OE1-NH1 2.85Å; E1010-R1082 IonicContact OE1-NH2 3.14Å; E1010-R1082 PolarHBondContact OE1-NH2 3.17Å; E1010-R1082 IonicContact OE2-CZ 3.16Å; E1010-R1082 IonicContact OE2-NH1 2.66Å; E1010-R1082 PolarHBondContact OE2-NH1 3.46Å; E1010-R1082 IonicContact OE2-NH2 3.56Å; E1010-R1082 PolarHBondContact OE2-NH2 3.12Å
1011	V	93.9	Very high	90.5	Very high	14 Å²	14	26.9 Å²	26.9	9%	0.085	16%	0.162	C	C	.	.	H	α-helix	trans	-71.5	-25.6	172.4	-172.5	0	0	0	0	110.6	F1000 L1007 A1008 P1009 Y1017 V1021	F1000-V1011 HydrophobicContact CD2-CG1 4.04Å; F1000-V1011 WeakPolarHBondContact CD2-O 3.4Å; F1000-V1011 HydrophobicContact CE2-CG1 4.49Å; L1007-V1011 HydrophobicContact CD2-CG1 4.32Å; A1008-V1011 HydrophobicContact CB-CG2 4.21Å; A1008-V1011 WeakPolarHBondContact O-CB 3.18Å; A1008-V1011 PolarHBondContact O-N 3.23Å; P1009-V1011 PolarHBondContact O-N 2.86Å; V1011-Y1017 HydrophobicContact CB-CD1 4.35Å; V1011-Y1017 HydrophobicContact CG1-CD1 4.31Å; V1011-Y1017 HydrophobicContact CG1-CE1 4.07Å; V1011-Y1017 HydrophobicContact CG2-CD1 3.8Å; V1011-Y1017 HydrophobicContact CG2-CD2 4.42Å; V1011-Y1017 HydrophobicContact CG2-CE1 4.09Å; V1011-Y1017 HydrophobicContact CG2-CG 3.98Å; V1011-V1021 HydrophobicContact CG2-CG1 3.69Å
1012	L	90.3	Very high	91.3	Very high	22 Å²	22	26 Å²	26	12%	0.115	16%	0.156	C	C	.	.	H	α-helix	trans	-91.1	-30.1	179.5	-52.1	178.1	0	0	0	112.6	F1000 L1007 P1009 E1010 F1049 I1052 V1053	F1000-L1012 HydrophobicContact CE2-CD2 3.8Å; F1000-L1012 HydrophobicContact CZ-CD2 4.11Å; L1007-L1012 HydrophobicContact CB-CD2 4.15Å; L1007-L1012 HydrophobicContact CB-CG 4.47Å; L1007-L1012 HydrophobicContact CD1-CD2 3.7Å; P1009-L1012 CarbonylContact O-C 3.59Å; P1009-L1012 WeakPolarHBondContact O-CA 3.48Å; P1009-L1012 WeakPolarHBondContact O-CB 3.42Å; P1009-L1012 PolarHBondContact O-N 3.33Å; E1010-L1012 PolarHBondContact O-N 2.62Å; L1012-F1049 HydrophobicContact CD1-CB 3.92Å; L1012-F1049 HydrophobicContact CD1-CD1 3.88Å; L1012-F1049 HydrophobicContact CD1-CG 4.08Å; L1012-F1049 HydrophobicContact CD2-CD1 3.67Å; L1012-F1049 HydrophobicContact CD2-CD2 4.41Å; L1012-F1049 HydrophobicContact CD2-CE1 3.92Å; L1012-F1049 HydrophobicContact CD2-CG 3.97Å; L1012-F1049 HydrophobicContact CD2-CZ 4.41Å; L1012-F1049 HydrophobicContact CG-CD1 4.46Å; L1012-I1052 HydrophobicContact CD1-CB 4.02Å; L1012-I1052 HydrophobicContact CD1-CD1 4.28Å; L1012-I1052 HydrophobicContact CD1-CG2 3.64Å; L1012-V1053 HydrophobicContact CB-CG2 4.08Å; L1012-V1053 HydrophobicContact CD1-CG2 3.86Å
1013	T	87.5	Confident	92	Very high	82 Å²	82	24.8 Å²	24.8	50%	0.503	14%	0.144	S	C	.	.	H	α-helix	trans	-110.7	-32.7	-172.1	61.3	0	0	0	0	115.2	P1009 V1053	P1009-T1013 PolarHBondContact O-N 3.33Å; P1009-T1013 PolarHBondContact O-OG1 3.04Å; P1009-T1013 VanDerWaalsContact O-OG1 3.06Å; T1013-V1053 HydrophobicContact CG2-CG1 3.93Å; T1013-V1053 HydrophobicContact CG2-CG2 3.89Å
1014	D	87.1	Confident	92.7	Very high	86 Å²	86	23.4 Å²	23.4	46%	0.46	14%	0.135	S	C	.	.	S	Bend	trans	-98.3	159.6	-170.8	-61.9	2.2	0	0	0	111.7	E1010 S1016	E1010-D1014 HydrophobicContact CB-CB 4.24Å; E1010-D1014 WeakPolarHBondContact O-CA 3.22Å; E1010-D1014 VanDerWaalsContact O-CB 3.29Å; E1010-D1014 WeakPolarHBondContact O-CB 3.43Å; E1010-D1014 PolarHBondContact O-N 2.89Å; D1014-S1016 VanDerWaalsContact C-N 3.26Å; D1014-S1016 PolarHBondContact O-N 3.13Å
1015	S	77.4	Confident	93.2	Very high	74 Å²	74	22.2 Å²	22.2	52%	0.517	13%	0.128	S	C	.	.	S	Bend	trans	-75.2	-15.4	176.6	67.7	0	0	0	0	113.6	K42 S998	K42-S1015 WeakPolarHBondContact CE-O 3.29Å; S998-S1015 WeakPolarHBondContact CB-O 3.48Å
1016	S	91.1	Very high	93.6	Very high	28 Å²	28	19.2 Å²	19.2	20%	0.196	11%	0.114	C	C	.	.			trans	-163.3	153.2	178.4	62.2	0	0	0	0	111.8	R996 T997 D1014	R996-S1016 PolarHBondContact NE-OG 3.17Å; R996-S1016 PolarHBondContact NH2-O 2.76Å; T997-S1016 CarbonylContact O-C 3.57Å; T997-S1016 WeakPolarHBondContact O-CA 3.3Å; T997-S1016 WeakPolarHBondContact O-CB 3.4Å; D1014-S1016 VanDerWaalsContact C-N 3.26Å; D1014-S1016 PolarHBondContact O-N 3.13Å
1017	Y	93.7	Very high	94	Very high	7 Å²	7	18.4 Å²	18.4	3%	0.027	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-131.9	165.9	-179.7	59.5	-94.5	0	0	0	112	R964 R996 T997 T999 V1011 V1021	R964-Y1017 VanDerWaalsContact CD-OH 3.27Å; R964-Y1017 WeakPolarHBondContact CD-OH 3.45Å; R964-Y1017 PolarHBondContact NH1-OH 3.34Å; R996-Y1017 CarbonylContact C-O 3.6Å; R996-Y1017 VanDerWaalsContact CA-O 3.32Å; R996-Y1017 WeakPolarHBondContact CA-O 3.33Å; T997-Y1017 HydrophobicContact CG2-CD2 3.82Å; T997-Y1017 HydrophobicContact CG2-CE1 4.18Å; T997-Y1017 HydrophobicContact CG2-CE2 3.31Å; T997-Y1017 HydrophobicContact CG2-CG 4.44Å; T997-Y1017 PolarHBondContact N-O 3.17Å; T997-Y1017 WeakPolarHBondContact O-CD1 3.23Å; T997-Y1017 PolarHBondContact O-N 2.9Å; T999-Y1017 WeakPolarHBondContact O-CE1 3.25Å; T999-Y1017 PolarHBondContact O-OH 2.82Å; V1011-Y1017 HydrophobicContact CB-CD1 4.35Å; V1011-Y1017 HydrophobicContact CG1-CD1 4.31Å; V1011-Y1017 HydrophobicContact CG1-CE1 4.07Å; V1011-Y1017 HydrophobicContact CG2-CD1 3.8Å; V1011-Y1017 HydrophobicContact CG2-CD2 4.42Å; V1011-Y1017 HydrophobicContact CG2-CE1 4.09Å; V1011-Y1017 HydrophobicContact CG2-CG 3.98Å; Y1017-V1021 HydrophobicContact CD2-CB 4.37Å; Y1017-V1021 HydrophobicContact CD2-CG1 3.44Å; Y1017-V1021 VanDerWaalsContact CD2-CG1 3.44Å; Y1017-V1021 HydrophobicContact CD2-CG2 3.97Å; Y1017-V1021 HydrophobicContact CE2-CG1 4.18Å; Y1017-V1021 HydrophobicContact CE2-CG2 4.05Å; Y1017-V1021 HydrophobicContact CG-CG1 3.83Å
1018	T	95.5	Very high	94.2	Very high	21 Å²	21	18 Å²	18	13%	0.129	11%	0.109	C	C	.	.			trans	-108.9	-173.9	179.7	63.6	0	0	0	0	111.3	R996 A1020 V1021	R996-T1018 HydrophobicContact CG-CG2 3.99Å; T1018-A1020 PolarHBondContact O-N 3.37Å; T1018-A1020 WeakPolarHBondContact OG1-CB 3.16Å; T1018-A1020 PolarHBondContact OG1-N 3.23Å; T1018-V1021 PolarHBondContact O-N 2.88Å
1019	R	96.3	Very high	94.2	Very high	15 Å²	15	18 Å²	18	6%	0.057	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-15.5	170	71.7	-178.6	-178.5	173.3	0.4	115.4	V962 V1021 D1022 S1086 A1087 D1089	V962-R1019 HydrophobicContact CG2-CB 4.33Å; R1019-V1021 PolarHBondContact O-N 2.88Å; R1019-D1022 PolarHBondContact O-N 3.27Å; R1019-S1086 PolarHBondContact NH2-O 3.04Å; R1019-A1087 PolarHBondContact NH2-O 3.44Å; R1019-D1089 VanDerWaalsContact CZ-CG 3.44Å; R1019-D1089 IonicContact CZ-OD1 2.83Å; R1019-D1089 IonicContact NE-OD1 2.69Å; R1019-D1089 PolarHBondContact NE-OD1 2.89Å; R1019-D1089 VanDerWaalsContact NE-OD1 3.14Å; R1019-D1089 IonicContact NH1-OD1 3.29Å; R1019-D1089 IonicContact NH1-OD2 2.68Å; R1019-D1089 IonicContact NH2-OD1 2.81Å
1020	A	96.9	Very high	94.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.1	-13.8	179.5	0	0	0	0	0	114.8	T1018 D1022 W1023 W1024 A1079 R1082 S1085	T1018-A1020 PolarHBondContact O-N 3.37Å; T1018-A1020 WeakPolarHBondContact OG1-CB 3.16Å; T1018-A1020 PolarHBondContact OG1-N 3.23Å; A1020-D1022 VanDerWaalsContact C-N 3.34Å; A1020-W1023 PolarHBondContact O-N 2.82Å; A1020-W1024 PolarHBondContact O-N 2.93Å; A1020-A1079 HydrophobicContact CB-CB 4.21Å; A1020-R1082 PolarHBondContact O-NH1 3.11Å; A1020-S1085 WeakPolarHBondContact CB-OG 3.41Å
1021	V	97.1	Very high	94.4	Very high	12 Å²	12	18 Å²	18	7%	0.073	11%	0.107	C	C	.	.	H	α-helix	trans	-66.2	-33	175.5	-59.7	0	0	0	0	112.9	V962 R964 A1008 E1010 V1011 Y1017 T1018 R1019 W1023 W1024 G1025	V962-V1021 HydrophobicContact CG2-CG2 3.92Å; R964-V1021 HydrophobicContact CG-CG2 4.2Å; A1008-V1021 HydrophobicContact CB-CB 4.03Å; A1008-V1021 HydrophobicContact CB-CG1 3.84Å; E1010-V1021 HydrophobicContact CG-CG1 4.24Å; V1011-V1021 HydrophobicContact CG2-CG1 3.69Å; Y1017-V1021 HydrophobicContact CD2-CB 4.37Å; Y1017-V1021 HydrophobicContact CD2-CG1 3.44Å; Y1017-V1021 VanDerWaalsContact CD2-CG1 3.44Å; Y1017-V1021 HydrophobicContact CD2-CG2 3.97Å; Y1017-V1021 HydrophobicContact CE2-CG1 4.18Å; Y1017-V1021 HydrophobicContact CE2-CG2 4.05Å; Y1017-V1021 HydrophobicContact CG-CG1 3.83Å; T1018-V1021 PolarHBondContact O-N 2.88Å; R1019-V1021 PolarHBondContact O-N 2.88Å; V1021-W1023 VanDerWaalsContact C-N 3.32Å; V1021-W1023 PolarHBondContact O-N 2.74Å; V1021-W1024 WeakPolarHBondContact O-CB 3.42Å; V1021-W1024 PolarHBondContact O-N 3.46Å; V1021-G1025 PolarHBondContact O-N 2.58Å
1022	D	97.8	Very high	94.5	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-70	-33.8	179.8	-70.3	-11.4	0	0	0	111.1	I953 H957 V962 Y963 R964 R1019 A1020 G1025 L1026	I953-D1022 HydrophobicContact CD1-CB 4.38Å; I953-D1022 HydrophobicContact CG2-CB 4.14Å; H957-D1022 IonicContact NE2-OD2 2.95Å; H957-D1022 PolarHBondContact NE2-OD2 3.44Å; V962-D1022 VanDerWaalsContact CG2-OD2 3.23Å; V962-D1022 WeakPolarHBondContact CG2-OD2 3.35Å; Y963-D1022 WeakPolarHBondContact CB-OD2 3.42Å; Y963-D1022 PolarHBondContact N-OD2 3.32Å; R964-D1022 WeakPolarHBondContact CA-OD1 3.16Å; R964-D1022 PolarHBondContact N-OD1 2.81Å; R1019-D1022 PolarHBondContact O-N 3.27Å; A1020-D1022 VanDerWaalsContact C-N 3.34Å; D1022-G1025 PolarHBondContact O-N 2.96Å; D1022-L1026 PolarHBondContact O-N 2.88Å
1023	W	98.3	Very high	94.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-72.1	-28	173.7	-57.2	136.1	0	0	0	113.4	V950 I953 H957 A1020 V1021 L1026 G1027 L1074 G1084 D1089 A1090 I1093	V950-W1023 HydrophobicContact CG2-CZ3 4.38Å; I953-W1023 HydrophobicContact CB-CH2 3.78Å; I953-W1023 HydrophobicContact CB-CZ3 3.88Å; I953-W1023 HydrophobicContact CD1-CE3 4.31Å; I953-W1023 HydrophobicContact CD1-CZ3 3.97Å; I953-W1023 HydrophobicContact CG2-CD2 4.46Å; I953-W1023 HydrophobicContact CG2-CE3 4.15Å; I953-W1023 HydrophobicContact CG2-CH2 3.38Å; I953-W1023 HydrophobicContact CG2-CZ2 3.7Å; I953-W1023 HydrophobicContact CG2-CZ3 3.62Å; H957-W1023 AromaticContact CE1-CE2 3.64Å; H957-W1023 AromaticContact CE1-CZ2 3.83Å; H957-W1023 AromaticContact CE1-NE1 3.5Å; H957-W1023 AromaticContact ND1-CE2 3.82Å; H957-W1023 AromaticContact ND1-CZ2 3.65Å; H957-W1023 AromaticContact ND1-NE1 3.72Å; A1020-W1023 PolarHBondContact O-N 2.82Å; V1021-W1023 VanDerWaalsContact C-N 3.32Å; V1021-W1023 PolarHBondContact O-N 2.74Å; W1023-L1026 HydrophobicContact CE3-CB 4.4Å; W1023-L1026 HydrophobicContact CE3-CD2 3.79Å; W1023-L1026 HydrophobicContact CZ3-CD2 3.94Å; W1023-G1027 PolarHBondContact O-N 2.92Å; W1023-L1074 HydrophobicContact CB-CD2 4.15Å; W1023-L1074 WeakPolarHBondContact O-CD2 3.49Å; W1023-G1084 VanDerWaalsContact CD1-C 3.47Å; W1023-G1084 PolarHBondContact NE1-O 2.64Å; W1023-D1089 WeakPolarHBondContact CZ2-OD2 3.48Å; W1023-D1089 PolarHBondContact NE1-OD1 2.8Å; W1023-A1090 HydrophobicContact CH2-CB 3.73Å; W1023-A1090 HydrophobicContact CZ2-CB 3.82Å; W1023-I1093 HydrophobicContact CB-CD1 4.36Å; W1023-I1093 HydrophobicContact CD2-CD1 3.24Å; W1023-I1093 HydrophobicContact CE3-CD1 3.16Å; W1023-I1093 HydrophobicContact CG-CD1 3.8Å; W1023-I1093 HydrophobicContact CH2-CD1 3.92Å; W1023-I1093 HydrophobicContact CZ2-CD1 3.99Å; W1023-I1093 HydrophobicContact CZ3-CD1 3.52Å
1024	W	98	Very high	95.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.9	-47.7	165.5	172	-85.2	0	0	0	110.7	L1007 A1008 P1009 A1020 V1021 L1026 G1027 V1028 F1040 I1052 L1075	L1007-W1024 PolarHBondContact O-NE1 3.45Å; L1007-W1024 VanDerWaalsContact O-NE1 3.1Å; A1008-W1024 VanDerWaalsContact CA-CD1 3.44Å; A1008-W1024 HydrophobicContact CB-CB 3.72Å; A1008-W1024 HydrophobicContact CB-CD2 4.23Å; A1008-W1024 HydrophobicContact CB-CG 3.63Å; P1009-W1024 HydrophobicContact CG-CE3 4.2Å; P1009-W1024 HydrophobicContact CG-CH2 3.99Å; P1009-W1024 HydrophobicContact CG-CZ2 4.46Å; P1009-W1024 HydrophobicContact CG-CZ3 3.84Å; A1020-W1024 PolarHBondContact O-N 2.93Å; V1021-W1024 WeakPolarHBondContact O-CB 3.42Å; V1021-W1024 PolarHBondContact O-N 3.46Å; W1024-L1026 VanDerWaalsContact C-N 3.26Å; W1024-L1026 PolarHBondContact O-N 3.08Å; W1024-G1027 WeakPolarHBondContact O-CA 3.4Å; W1024-G1027 PolarHBondContact O-N 3.35Å; W1024-V1028 PolarHBondContact O-N 3.38Å; W1024-V1028 VanDerWaalsContact O-N 3.07Å; W1024-F1040 HydrophobicContact CH2-CE1 4.47Å; W1024-F1040 AromaticContact CH2-CE2 3.73Å; W1024-F1040 HydrophobicContact CH2-CE2 3.73Å; W1024-F1040 AromaticContact CH2-CZ 3.51Å; W1024-F1040 HydrophobicContact CH2-CZ 3.51Å; W1024-F1040 HydrophobicContact CZ2-CD2 4.08Å; W1024-F1040 AromaticContact CZ2-CE2 3.25Å; W1024-F1040 HydrophobicContact CZ2-CE2 3.25Å; W1024-F1040 AromaticContact CZ2-CZ 3.56Å; W1024-F1040 HydrophobicContact CZ2-CZ 3.56Å; W1024-I1052 HydrophobicContact CH2-CG2 4.42Å; W1024-I1052 HydrophobicContact CZ2-CG2 3.84Å; W1024-L1075 HydrophobicContact CD2-CD2 3.95Å; W1024-L1075 HydrophobicContact CE3-CD2 4.05Å; W1024-L1075 HydrophobicContact CH2-CD2 4.37Å; W1024-L1075 HydrophobicContact CZ2-CD2 4.25Å; W1024-L1075 HydrophobicContact CZ3-CB 4.23Å; W1024-L1075 HydrophobicContact CZ3-CD2 4.27Å; W1024-L1075 WeakPolarHBondContact CZ3-O 3.18Å
1025	G	97.4	Very high	95.5	Very high	3 Å²	3	10.5 Å²	10.5	3%	0.031	6%	0.064	C	C	.	.	H	α-helix	trans	-53.2	-43.6	175.2	0	0	0	0	0	112.2	V1021 D1022 G1027 V1028 L1029	V1021-G1025 PolarHBondContact O-N 2.58Å; D1022-G1025 PolarHBondContact O-N 2.96Å; G1025-G1027 VanDerWaalsContact C-N 3.28Å; G1025-G1027 PolarHBondContact O-N 2.87Å; G1025-V1028 PolarHBondContact O-N 2.93Å; G1025-V1028 VanDerWaalsContact O-N 3.15Å; G1025-L1029 WeakPolarHBondContact O-CB 3.45Å; G1025-L1029 PolarHBondContact O-N 3.31Å
1026	L	98.1	Very high	96.1	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.1	-36.7	175.5	-179.5	66.1	0	0	0	112.2	A946 V949 V950 L966 D1022 W1023 W1024 L1029 I1030 L1074 I1093	A946-L1026 HydrophobicContact CB-CD1 4.34Å; V949-L1026 HydrophobicContact CB-CD1 4.49Å; V949-L1026 HydrophobicContact CG1-CD1 4.01Å; V950-L1026 HydrophobicContact CG2-CD1 4.38Å; V950-L1026 HydrophobicContact CG2-CD2 3.53Å; L966-L1026 HydrophobicContact CD2-CB 4.19Å; D1022-L1026 PolarHBondContact O-N 2.88Å; W1023-L1026 HydrophobicContact CE3-CB 4.4Å; W1023-L1026 HydrophobicContact CE3-CD2 3.79Å; W1023-L1026 HydrophobicContact CZ3-CD2 3.94Å; W1024-L1026 VanDerWaalsContact C-N 3.26Å; W1024-L1026 PolarHBondContact O-N 3.08Å; L1026-L1029 HydrophobicContact CD1-CD2 4.35Å; L1026-L1029 PolarHBondContact O-N 3.02Å; L1026-I1030 HydrophobicContact CD1-CD1 4.07Å; L1026-I1030 HydrophobicContact CD1-CG1 4.26Å; L1026-I1030 HydrophobicContact CG-CD1 3.94Å; L1026-I1030 WeakPolarHBondContact O-CB 3.33Å; L1026-I1030 VanDerWaalsContact O-CG1 3.28Å; L1026-I1030 WeakPolarHBondContact O-CG1 3.5Å; L1026-I1030 PolarHBondContact O-N 2.93Å; L1026-L1074 HydrophobicContact CB-CD1 4.43Å; L1026-L1074 HydrophobicContact CD2-CD1 4.1Å; L1026-L1074 HydrophobicContact CG-CD1 4.04Å; L1026-I1093 HydrophobicContact CD2-CD1 4.32Å; L1026-I1093 HydrophobicContact CD2-CG2 4.1Å
1027	G	97.9	Very high	96.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.6	-39.3	174.5	0	0	0	0	0	113.1	W1023 W1024 G1025 F1031	W1023-G1027 PolarHBondContact O-N 2.92Å; W1024-G1027 WeakPolarHBondContact O-CA 3.4Å; W1024-G1027 PolarHBondContact O-N 3.35Å; G1025-G1027 VanDerWaalsContact C-N 3.28Å; G1025-G1027 PolarHBondContact O-N 2.87Å; G1027-F1031 PolarHBondContact O-N 3.29Å
1028	V	97.2	Very high	96	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.4	-46.6	174.4	180	0	0	0	0	110	F1006 W1024 G1025 I1030 F1031 E1032 P1039 F1040 L1075	F1006-V1028 HydrophobicContact CD1-CB 3.71Å; F1006-V1028 HydrophobicContact CD1-CG1 3.5Å; F1006-V1028 VanDerWaalsContact CD1-CG1 3.5Å; F1006-V1028 HydrophobicContact CE1-CB 3.89Å; F1006-V1028 HydrophobicContact CE1-CG1 3.46Å; F1006-V1028 VanDerWaalsContact CE1-CG1 3.46Å; F1006-V1028 HydrophobicContact CG-CG1 4.21Å; F1006-V1028 HydrophobicContact CZ-CG1 4.1Å; W1024-V1028 PolarHBondContact O-N 3.38Å; W1024-V1028 VanDerWaalsContact O-N 3.07Å; G1025-V1028 PolarHBondContact O-N 2.93Å; G1025-V1028 VanDerWaalsContact O-N 3.15Å; V1028-I1030 PolarHBondContact O-N 3.1Å; V1028-F1031 WeakPolarHBondContact O-CA 3.44Å; V1028-F1031 WeakPolarHBondContact O-CB 3.31Å; V1028-F1031 PolarHBondContact O-N 2.92Å; V1028-F1031 VanDerWaalsContact O-N 3.08Å; V1028-E1032 HydrophobicContact CG1-CG 4.49Å; V1028-E1032 PolarHBondContact O-N 3.29Å; V1028-P1039 HydrophobicContact CB-CG 4.33Å; V1028-P1039 HydrophobicContact CG1-CG 3.9Å; V1028-P1039 HydrophobicContact CG2-CG 4.23Å; V1028-F1040 HydrophobicContact CG2-CE2 4.4Å; V1028-L1075 HydrophobicContact CG2-CD2 3.74Å
1029	L	96.6	Very high	96	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-57.2	-46.5	179	-168.4	81	0	0	0	112.7	V949 L966 L968 L971 F1006 G1025 L1026 F1031 E1032 M1033	V949-L1029 HydrophobicContact CG1-CD2 4.21Å; V949-L1029 HydrophobicContact CG2-CD2 4.1Å; L966-L1029 HydrophobicContact CD2-CB 4.43Å; L966-L1029 HydrophobicContact CD2-CD2 4.13Å; L966-L1029 HydrophobicContact CG-CD2 4.37Å; L968-L1029 HydrophobicContact CD2-CD1 3.64Å; L968-L1029 HydrophobicContact CD2-CG 4.43Å; L968-L1029 HydrophobicContact CG-CD1 3.92Å; L971-L1029 HydrophobicContact CD1-CD1 3.8Å; L971-L1029 HydrophobicContact CD1-CD2 3.68Å; L971-L1029 HydrophobicContact CD1-CG 4.32Å; F1006-L1029 HydrophobicContact CE1-CB 4.49Å; F1006-L1029 HydrophobicContact CE1-CD1 4.42Å; G1025-L1029 WeakPolarHBondContact O-CB 3.45Å; G1025-L1029 PolarHBondContact O-N 3.31Å; L1026-L1029 HydrophobicContact CD1-CD2 4.35Å; L1026-L1029 PolarHBondContact O-N 3.02Å; L1029-F1031 VanDerWaalsContact C-N 3.3Å; L1029-F1031 PolarHBondContact O-N 2.93Å; L1029-E1032 PolarHBondContact O-N 3.47Å; L1029-M1033 HydrophobicContact CD2-CE 4.3Å; L1029-M1033 HydrophobicContact CG-CE 4.21Å; L1029-M1033 WeakPolarHBondContact O-CB 3.29Å; L1029-M1033 WeakPolarHBondContact O-CG 3.36Å; L1029-M1033 PolarHBondContact O-N 2.86Å
1030	I	97.5	Very high	95.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.2	-37.1	177	-68.9	167.5	0	0	0	110.9	A946 L1026 V1028 M1033 L1034 I1070 M1071 L1074 F1098	A946-I1030 HydrophobicContact CB-CD1 4.03Å; A946-I1030 HydrophobicContact CB-CG1 3.84Å; L1026-I1030 HydrophobicContact CD1-CD1 4.07Å; L1026-I1030 HydrophobicContact CD1-CG1 4.26Å; L1026-I1030 HydrophobicContact CG-CD1 3.94Å; L1026-I1030 WeakPolarHBondContact O-CB 3.33Å; L1026-I1030 VanDerWaalsContact O-CG1 3.28Å; L1026-I1030 WeakPolarHBondContact O-CG1 3.5Å; L1026-I1030 PolarHBondContact O-N 2.93Å; V1028-I1030 PolarHBondContact O-N 3.1Å; I1030-M1033 HydrophobicContact CG1-CE 4.09Å; I1030-L1034 HydrophobicContact CG2-CD1 3.75Å; I1030-L1034 HydrophobicContact CG2-CG 4.49Å; I1030-L1034 WeakPolarHBondContact O-CB 3.39Å; I1030-L1034 VanDerWaalsContact O-CG 3.27Å; I1030-L1034 WeakPolarHBondContact O-CG 3.2Å; I1030-L1034 PolarHBondContact O-N 3.04Å; I1030-I1070 HydrophobicContact CD1-CD1 4.38Å; I1030-M1071 HydrophobicContact CB-CG 4.26Å; I1030-M1071 HydrophobicContact CG2-CG 3.77Å; I1030-M1071 HydrophobicContact CG2-SD 4.02Å; I1030-L1074 HydrophobicContact CD1-CD1 4.03Å; I1030-F1098 HydrophobicContact CD1-CE1 4.19Å; I1030-F1098 HydrophobicContact CG2-CE1 4.29Å; I1030-F1098 HydrophobicContact CG2-CZ 3.91Å
1031	F	97	Very high	95.5	Very high	9 Å²	9	18.3 Å²	18.3	4%	0.039	11%	0.111	C	C	.	.	H	α-helix	trans	-64.8	-49.5	176	-170.7	-80.2	0	0	0	111.1	G1027 V1028 L1029 M1033 L1034 V1035 E1037 P1039 V1057 C1058 Y1059 M1071	G1027-F1031 PolarHBondContact O-N 3.29Å; V1028-F1031 WeakPolarHBondContact O-CA 3.44Å; V1028-F1031 WeakPolarHBondContact O-CB 3.31Å; V1028-F1031 PolarHBondContact O-N 2.92Å; V1028-F1031 VanDerWaalsContact O-N 3.08Å; L1029-F1031 VanDerWaalsContact C-N 3.3Å; L1029-F1031 PolarHBondContact O-N 2.93Å; F1031-M1033 PolarHBondContact O-N 2.83Å; F1031-L1034 PolarHBondContact O-N 2.9Å; F1031-L1034 VanDerWaalsContact O-N 3.17Å; F1031-V1035 HydrophobicContact CD1-CB 3.97Å; F1031-V1035 HydrophobicContact CD1-CG1 4.46Å; F1031-V1035 HydrophobicContact CD1-CG2 4Å; F1031-V1035 HydrophobicContact CD2-CG2 4.25Å; F1031-V1035 HydrophobicContact CE1-CB 3.72Å; F1031-V1035 HydrophobicContact CE1-CG1 3.73Å; F1031-V1035 HydrophobicContact CE1-CG2 3.82Å; F1031-V1035 HydrophobicContact CE2-CG2 4.07Å; F1031-V1035 HydrophobicContact CG-CG2 4.23Å; F1031-V1035 HydrophobicContact CZ-CB 4.21Å; F1031-V1035 HydrophobicContact CZ-CG1 4.05Å; F1031-V1035 HydrophobicContact CZ-CG2 3.86Å; F1031-V1035 VanDerWaalsContact O-CB 3.28Å; F1031-V1035 WeakPolarHBondContact O-CB 3.46Å; F1031-V1035 WeakPolarHBondContact O-CG2 3.32Å; F1031-V1035 PolarHBondContact O-N 3.19Å; F1031-E1037 WeakPolarHBondContact CD1-O 3.44Å; F1031-E1037 VanDerWaalsContact CE1-O 3.26Å; F1031-E1037 WeakPolarHBondContact CE1-O 3.35Å; F1031-P1039 HydrophobicContact CB-CB 4.33Å; F1031-P1039 HydrophobicContact CB-CG 4.18Å; F1031-P1039 HydrophobicContact CD1-CB 3.66Å; F1031-P1039 HydrophobicContact CD1-CG 3.99Å; F1031-P1039 HydrophobicContact CD2-CB 4.01Å; F1031-P1039 HydrophobicContact CE1-CB 3.85Å; F1031-P1039 HydrophobicContact CE2-CB 4.19Å; F1031-P1039 HydrophobicContact CG-CB 3.74Å; F1031-P1039 HydrophobicContact CG-CG 4.07Å; F1031-P1039 HydrophobicContact CZ-CB 4.11Å; F1031-V1057 HydrophobicContact CD2-CG1 3.88Å; F1031-V1057 HydrophobicContact CE2-CG1 3.48Å; F1031-V1057 VanDerWaalsContact CE2-CG1 3.48Å; F1031-V1057 HydrophobicContact CZ-CG1 4.22Å; F1031-C1058 WeakPolarHBondContact CE2-O 3.49Å; F1031-C1058 WeakPolarHBondContact CZ-O 3.49Å; F1031-Y1059 HydrophobicContact CD2-CD1 4.14Å; F1031-Y1059 HydrophobicContact CD2-CE1 4.01Å; F1031-Y1059 AromaticContact CE2-CD1 3.94Å; F1031-Y1059 HydrophobicContact CE2-CD1 3.94Å; F1031-Y1059 HydrophobicContact CE2-CE1 4.14Å; F1031-M1071 WeakPolarHBondContact CA-SD 3.17Å; F1031-M1071 HydrophobicContact CB-SD 3.63Å; F1031-M1071 HydrophobicContact CD2-SD 3.72Å; F1031-M1071 HydrophobicContact CG-SD 4.1Å
1032	E	94.9	Very high	95	Very high	21 Å²	21	19.1 Å²	19.1	10%	0.098	12%	0.122	C	C	.	.	H	α-helix	trans	-63.1	-39.8	179.8	-70	-171.5	176.2	0	0	112.4	L968 F1006 V1028 L1029 L1034 G1036 C1038	L968-E1032 HydrophobicContact CD1-CB 4.04Å; F1006-E1032 VanDerWaalsContact CZ-OE2 3.22Å; F1006-E1032 WeakPolarHBondContact CZ-OE2 3.48Å; V1028-E1032 HydrophobicContact CG1-CG 4.49Å; V1028-E1032 PolarHBondContact O-N 3.29Å; L1029-E1032 PolarHBondContact O-N 3.47Å; E1032-L1034 VanDerWaalsContact C-N 3.32Å; E1032-L1034 PolarHBondContact O-N 3.44Å; E1032-G1036 VanDerWaalsContact O-CA 3.3Å; E1032-G1036 WeakPolarHBondContact O-CA 3.48Å; E1032-G1036 PolarHBondContact O-N 3.46Å; E1032-C1038 WeakPolarHBondContact OE1-CA 3.5Å
1033	M	95.7	Very high	94.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-41.5	173.5	-76.4	-167.8	-68.5	0	0	112.9	I932 F937 A942 A946 L968 L1029 I1030 F1031	I932-M1033 HydrophobicContact CD1-CG 3.92Å; F937-M1033 HydrophobicContact CB-CB 4.47Å; F937-M1033 WeakPolarHBondContact CB-O 3.21Å; F937-M1033 HydrophobicContact CD2-CB 3.87Å; F937-M1033 HydrophobicContact CD2-CG 3.67Å; F937-M1033 HydrophobicContact CD2-SD 3.78Å; F937-M1033 HydrophobicContact CE2-CG 4.01Å; F937-M1033 HydrophobicContact CE2-SD 4.01Å; F937-M1033 PolarHBondContact N-O 3.36Å; A942-M1033 HydrophobicContact CB-CB 3.98Å; A942-M1033 HydrophobicContact CB-CE 4.32Å; A942-M1033 HydrophobicContact CB-SD 4.4Å; A946-M1033 HydrophobicContact CB-CE 3.99Å; L968-M1033 HydrophobicContact CD2-CG 4.07Å; L1029-M1033 HydrophobicContact CD2-CE 4.3Å; L1029-M1033 HydrophobicContact CG-CE 4.21Å; L1029-M1033 WeakPolarHBondContact O-CB 3.29Å; L1029-M1033 WeakPolarHBondContact O-CG 3.36Å; L1029-M1033 PolarHBondContact O-N 2.86Å; I1030-M1033 HydrophobicContact CG1-CE 4.09Å; F1031-M1033 PolarHBondContact O-N 2.83Å
1034	L	96	Very high	93.8	Very high	8 Å²	8	25 Å²	25	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-89.4	-22.8	-173.9	-67.5	173.4	0	0	0	114.5	E939 A942 I1030 F1031 E1032 L1063 A1067 M1071 F1098	E939-L1034 HydrophobicContact CB-CD2 4.23Å; E939-L1034 HydrophobicContact CG-CD2 4.37Å; A942-L1034 HydrophobicContact CB-CD2 3.51Å; A942-L1034 HydrophobicContact CB-CG 3.89Å; I1030-L1034 HydrophobicContact CG2-CD1 3.75Å; I1030-L1034 HydrophobicContact CG2-CG 4.49Å; I1030-L1034 WeakPolarHBondContact O-CB 3.39Å; I1030-L1034 VanDerWaalsContact O-CG 3.27Å; I1030-L1034 WeakPolarHBondContact O-CG 3.2Å; I1030-L1034 PolarHBondContact O-N 3.04Å; F1031-L1034 PolarHBondContact O-N 2.9Å; F1031-L1034 VanDerWaalsContact O-N 3.17Å; E1032-L1034 VanDerWaalsContact C-N 3.32Å; E1032-L1034 PolarHBondContact O-N 3.44Å; L1034-L1063 HydrophobicContact CB-CD2 3.65Å; L1034-L1063 HydrophobicContact CD1-CD2 4.2Å; L1034-L1063 HydrophobicContact CG-CD2 4.45Å; L1034-A1067 HydrophobicContact CD1-CB 3.86Å; L1034-M1071 HydrophobicContact CD1-CE 3.87Å; L1034-F1098 HydrophobicContact CD1-CE2 4.26Å; L1034-F1098 HydrophobicContact CD1-CZ 4.43Å
1035	V	94.4	Very high	93.2	Very high	18 Å²	18	28.4 Å²	28.4	11%	0.109	17%	0.167	C	C	.	.	H	α-helix	trans	-114.2	-28.2	-173.2	-177.8	0	0	0	0	112.5	F1031 E1037 P1060 L1063	F1031-V1035 HydrophobicContact CD1-CB 3.97Å; F1031-V1035 HydrophobicContact CD1-CG1 4.46Å; F1031-V1035 HydrophobicContact CD1-CG2 4Å; F1031-V1035 HydrophobicContact CD2-CG2 4.25Å; F1031-V1035 HydrophobicContact CE1-CB 3.72Å; F1031-V1035 HydrophobicContact CE1-CG1 3.73Å; F1031-V1035 HydrophobicContact CE1-CG2 3.82Å; F1031-V1035 HydrophobicContact CE2-CG2 4.07Å; F1031-V1035 HydrophobicContact CG-CG2 4.23Å; F1031-V1035 HydrophobicContact CZ-CB 4.21Å; F1031-V1035 HydrophobicContact CZ-CG1 4.05Å; F1031-V1035 HydrophobicContact CZ-CG2 3.86Å; F1031-V1035 VanDerWaalsContact O-CB 3.28Å; F1031-V1035 WeakPolarHBondContact O-CB 3.46Å; F1031-V1035 WeakPolarHBondContact O-CG2 3.32Å; F1031-V1035 PolarHBondContact O-N 3.19Å; V1035-E1037 HydrophobicContact CG1-CB 4.26Å; V1035-E1037 PolarHBondContact O-N 3.01Å; V1035-P1060 HydrophobicContact CG1-CG 4.24Å; V1035-P1060 HydrophobicContact CG2-CG 4.32Å; V1035-L1063 HydrophobicContact CG2-CD1 4.08Å; V1035-L1063 HydrophobicContact CG2-CD2 4.22Å
1036	G	91.4	Very high	92.7	Very high	39 Å²	39	28.3 Å²	28.3	40%	0.402	17%	0.166	S	C	.	.	S	Bend	trans	77.9	4	-175.2	0	0	0	0	0	114.8	V936 E1032	V936-G1036 VanDerWaalsContact CG1-CA 3.46Å; E1032-G1036 VanDerWaalsContact O-CA 3.3Å; E1032-G1036 WeakPolarHBondContact O-CA 3.48Å; E1032-G1036 PolarHBondContact O-N 3.46Å
1037	E	90.9	Very high	92.3	Very high	140 Å²	140	30 Å²	30	65%	0.654	17%	0.173	S	C	*	.	S	Bend	trans	-133.4	150.4	-178.7	-60.9	-175.6	167.4	0	0	110.1	F1031 V1035	F1031-E1037 WeakPolarHBondContact CD1-O 3.44Å; F1031-E1037 VanDerWaalsContact CE1-O 3.26Å; F1031-E1037 WeakPolarHBondContact CE1-O 3.35Å; V1035-E1037 HydrophobicContact CG1-CB 4.26Å; V1035-E1037 PolarHBondContact O-N 3.01Å
1038	C	91.5	Very high	92	Very high	33 Å²	33	31 Å²	31	22%	0.223	18%	0.178	C	C	.	.			trans	-63.9	135.5	173.2	177	0	0	0	0	111.1	E1032 F1040	E1032-C1038 WeakPolarHBondContact OE1-CA 3.5Å; C1038-F1040 PolarHBondContact O-N 2.88Å; C1038-F1040 VanDerWaalsContact O-N 3.16Å; C1038-F1040 PolarHBondContact SG-N 3.29Å; C1038-F1040 VanDerWaalsContact SG-N 3.38Å
1039	P	94.2	Very high	91.8	Very high	9 Å²	9	31.8 Å²	31.8	6%	0.058	18%	0.182	C	C	.	.	S	Bend	trans	-65.2	-15.5	176.7	23.7	-31.5	0	0	0	114.4	V1028 F1031 V1057 L1075	V1028-P1039 HydrophobicContact CB-CG 4.33Å; V1028-P1039 HydrophobicContact CG1-CG 3.9Å; V1028-P1039 HydrophobicContact CG2-CG 4.23Å; F1031-P1039 HydrophobicContact CB-CB 4.33Å; F1031-P1039 HydrophobicContact CB-CG 4.18Å; F1031-P1039 HydrophobicContact CD1-CB 3.66Å; F1031-P1039 HydrophobicContact CD1-CG 3.99Å; F1031-P1039 HydrophobicContact CD2-CB 4.01Å; F1031-P1039 HydrophobicContact CE1-CB 3.85Å; F1031-P1039 HydrophobicContact CE2-CB 4.19Å; F1031-P1039 HydrophobicContact CG-CB 3.74Å; F1031-P1039 HydrophobicContact CG-CG 4.07Å; F1031-P1039 HydrophobicContact CZ-CB 4.11Å; P1039-V1057 HydrophobicContact CB-CG1 3.93Å; P1039-V1057 HydrophobicContact CB-CG2 4.36Å; P1039-L1075 HydrophobicContact CB-CD1 4.41Å; P1039-L1075 HydrophobicContact CG-CD1 4.49Å
1040	F	94.9	Very high	91.5	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	20%	0.197	C	C	.	.	S	Bend	trans	-129	63.8	-174.8	-58.6	-66.8	0	0	0	112.6	W1024 V1028 C1038 S1051 I1052 V1057 L1075	W1024-F1040 HydrophobicContact CH2-CE1 4.47Å; W1024-F1040 AromaticContact CH2-CE2 3.73Å; W1024-F1040 HydrophobicContact CH2-CE2 3.73Å; W1024-F1040 AromaticContact CH2-CZ 3.51Å; W1024-F1040 HydrophobicContact CH2-CZ 3.51Å; W1024-F1040 HydrophobicContact CZ2-CD2 4.08Å; W1024-F1040 AromaticContact CZ2-CE2 3.25Å; W1024-F1040 HydrophobicContact CZ2-CE2 3.25Å; W1024-F1040 AromaticContact CZ2-CZ 3.56Å; W1024-F1040 HydrophobicContact CZ2-CZ 3.56Å; V1028-F1040 HydrophobicContact CG2-CE2 4.4Å; C1038-F1040 PolarHBondContact O-N 2.88Å; C1038-F1040 VanDerWaalsContact O-N 3.16Å; C1038-F1040 PolarHBondContact SG-N 3.29Å; C1038-F1040 VanDerWaalsContact SG-N 3.38Å; F1040-S1051 WeakPolarHBondContact CA-OG 3.23Å; F1040-S1051 WeakPolarHBondContact CD1-O 3.32Å; F1040-I1052 HydrophobicContact CB-CG1 3.71Å; F1040-I1052 HydrophobicContact CD1-CG1 4.42Å; F1040-I1052 HydrophobicContact CD2-CG1 3.77Å; F1040-I1052 HydrophobicContact CG-CB 4.46Å; F1040-I1052 HydrophobicContact CG-CG1 3.71Å; F1040-V1057 HydrophobicContact CE1-CG2 3.52Å; F1040-V1057 HydrophobicContact CE2-CG2 4.32Å; F1040-V1057 HydrophobicContact CZ-CG2 3.4Å; F1040-L1075 HydrophobicContact CE2-CD2 4.23Å
1041	P	89.2	Confident	91.3	Very high	87 Å²	87	34.7 Å²	34.7	57%	0.565	20%	0.198	S	C	*	.			trans	-68.5	149.8	-173.1	29.1	-36.3	0	0	0	113.7	S1051	P1041-S1051 PolarHBondContact O-OG 3.33Å
1042	G	86.7	Confident	91.2	Very high	30 Å²	30	34.2 Å²	34.2	31%	0.309	20%	0.196	S	C	.	.			trans	-172.6	155.8	173.7	0	0	0	0	0	112.9	S1044	G1042-S1044 VanDerWaalsContact C-N 3.35Å
1043	E	83.2	Confident	91.1	Very high	108 Å²	108	35.1 Å²	35.1	51%	0.505	20%	0.203	S	C	.	.	S	Bend	trans	-87.3	1.1	-176.9	-74.7	-167.2	-148.7	0	0	114.9	A56 S60 E1047	A56-E1043 HydrophobicContact CB-CB 4.4Å; S60-E1043 VanDerWaalsContact CA-CD 3.46Å; S60-E1043 VanDerWaalsContact CA-OE1 3.31Å; S60-E1043 WeakPolarHBondContact CA-OE1 3.46Å; S60-E1043 WeakPolarHBondContact CA-OE2 3.05Å; S60-E1043 WeakPolarHBondContact CB-OE1 3.46Å; S60-E1043 WeakPolarHBondContact CB-OE2 3.29Å; S60-E1043 PolarHBondContact N-OE2 3.03Å; S60-E1043 PolarHBondContact OG-OE1 3.45Å; E1043-E1047 PolarHBondContact N-OE2 3.07Å
1044	S	86.8	Confident	90.8	Very high	18 Å²	18	40.3 Å²	40.3	13%	0.126	23%	0.231	C	C	.	.	S	Bend	trans	-140	167	152.8	68.3	0	0	0	0	109.4	K52 A56 G1042 E1046 E1047 I1048	K52-S1044 PolarHBondContact O-OG 3.44Å; A56-S1044 VanDerWaalsContact CB-CB 3.47Å; A56-S1044 WeakPolarHBondContact CB-OG 3.43Å; G1042-S1044 VanDerWaalsContact C-N 3.35Å; S1044-E1046 PolarHBondContact O-N 3.36Å; S1044-E1046 PolarHBondContact OG-N 3.09Å; S1044-E1046 VanDerWaalsContact OG-N 3.1Å; S1044-E1047 PolarHBondContact O-N 2.95Å; S1044-E1047 VanDerWaalsContact O-N 3.13Å; S1044-E1047 PolarHBondContact OG-N 3.46Å; S1044-I1048 WeakPolarHBondContact O-CG1 3.33Å; S1044-I1048 PolarHBondContact O-N 2.95Å
1045	E	86.1	Confident	90.5	Very high	72 Å²	72	44.3 Å²	44.3	34%	0.336	25%	0.247	S	C	.	.	H	α-helix	trans	-32.7	-33.2	160.6	-55.1	-179.7	-130.5	0	0	114.2	K52 P1004 I1048 F1049	K52-E1045 HydrophobicContact CD-CB 4.26Å; K52-E1045 HydrophobicContact CD-CG 4.38Å; K52-E1045 WeakPolarHBondContact CD-OE1 3.4Å; K52-E1045 IonicContact NZ-OE1 2.7Å; K52-E1045 PolarHBondContact NZ-OE1 3.5Å; K52-E1045 IonicContact NZ-OE2 3.17Å; K52-E1045 PolarHBondContact NZ-OE2 3.46Å; P1004-E1045 HydrophobicContact CB-CB 4.15Å; P1004-E1045 HydrophobicContact CB-CG 4.23Å; P1004-E1045 HydrophobicContact CG-CB 4.29Å; P1004-E1045 HydrophobicContact CG-CG 3.88Å; E1045-I1048 WeakPolarHBondContact O-CB 3.46Å; E1045-F1049 HydrophobicContact CB-CE1 4.44Å; E1045-F1049 HydrophobicContact CB-CE2 4.32Å; E1045-F1049 HydrophobicContact CB-CZ 4.02Å; E1045-F1049 WeakPolarHBondContact O-CD1 3.33Å; E1045-F1049 WeakPolarHBondContact O-CD2 3.2Å; E1045-F1049 VanDerWaalsContact O-CE1 3.27Å; E1045-F1049 WeakPolarHBondContact O-CE1 3.45Å; E1045-F1049 WeakPolarHBondContact O-CG 3.44Å; E1045-F1049 PolarHBondContact O-N 3.25Å
1046	E	87.2	Confident	90.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-98.8	-32.5	-168.6	-118.2	-172.7	-109.9	0	0	113.4	G49 V50 Q51 K52 L53 S1044 I1048 F1049 D1050	G49-E1046 VanDerWaalsContact C-CG 3.49Å; G49-E1046 VanDerWaalsContact C-OE2 3.26Å; G49-E1046 VanDerWaalsContact CA-CD 3.41Å; G49-E1046 WeakPolarHBondContact CA-OE1 3.07Å; G49-E1046 PolarHBondContact N-OE1 3.47Å; G49-E1046 WeakPolarHBondContact O-CG 3.34Å; V50-E1046 VanDerWaalsContact CA-CD 3.46Å; V50-E1046 WeakPolarHBondContact CA-OE2 3.24Å; V50-E1046 PolarHBondContact N-OE1 2.86Å; V50-E1046 PolarHBondContact N-OE2 3.24Å; Q51-E1046 PolarHBondContact N-OE1 2.72Å; Q51-E1046 PolarHBondContact N-OE2 2.71Å; K52-E1046 VanDerWaalsContact C-CB 3.46Å; K52-E1046 VanDerWaalsContact CA-OE1 3.29Å; K52-E1046 WeakPolarHBondContact CA-OE1 3.45Å; K52-E1046 HydrophobicContact CB-CB 3.72Å; K52-E1046 HydrophobicContact CB-CG 3.94Å; K52-E1046 WeakPolarHBondContact CB-OE1 3.44Å; K52-E1046 WeakPolarHBondContact CG-OE1 3.37Å; K52-E1046 PolarHBondContact N-OE1 2.58Å; K52-E1046 PolarHBondContact N-OE2 2.98Å; L53-E1046 VanDerWaalsContact CA-OE2 3.26Å; L53-E1046 WeakPolarHBondContact CA-OE2 3.43Å; L53-E1046 HydrophobicContact CB-CB 3.88Å; L53-E1046 HydrophobicContact CB-CG 4.24Å; L53-E1046 WeakPolarHBondContact CB-OE2 3.19Å; L53-E1046 VanDerWaalsContact CD2-C 3.43Å; L53-E1046 HydrophobicContact CD2-CB 4.37Å; L53-E1046 WeakPolarHBondContact CD2-O 3.5Å; L53-E1046 HydrophobicContact CG-CB 3.61Å; L53-E1046 HydrophobicContact CG-CG 3.9Å; L53-E1046 VanDerWaalsContact CG-O 3.32Å; L53-E1046 WeakPolarHBondContact CG-O 3.3Å; L53-E1046 VanDerWaalsContact CG-OE2 3.29Å; L53-E1046 WeakPolarHBondContact CG-OE2 3.46Å; L53-E1046 PolarHBondContact N-OE2 3.48Å; S1044-E1046 PolarHBondContact O-N 3.36Å; S1044-E1046 PolarHBondContact OG-N 3.09Å; S1044-E1046 VanDerWaalsContact OG-N 3.1Å; E1046-I1048 PolarHBondContact O-N 3.4Å; E1046-F1049 HydrophobicContact CB-CD2 4.29Å; E1046-F1049 HydrophobicContact CG-CD2 3.51Å; E1046-F1049 HydrophobicContact CG-CE2 4.01Å; E1046-F1049 HydrophobicContact CG-CG 4.4Å; E1046-F1049 PolarHBondContact O-N 2.93Å; E1046-D1050 PolarHBondContact O-N 3.33Å
1047	E	89.7	Confident	90.2	Very high	35 Å²	35	47.5 Å²	47.5	16%	0.164	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-31.7	160.5	-82.3	-179.4	-176.2	0	0	110.6	L53 A56 A57 E1043 S1044 S1051	L53-E1047 HydrophobicContact CD2-CG 4.17Å; A56-E1047 HydrophobicContact CB-CB 4.35Å; A56-E1047 VanDerWaalsContact CB-CD 3.49Å; A56-E1047 HydrophobicContact CB-CG 3.71Å; A57-E1047 VanDerWaalsContact CA-OE1 3.3Å; A57-E1047 WeakPolarHBondContact CA-OE1 3.34Å; A57-E1047 PolarHBondContact N-OE1 2.91Å; E1043-E1047 PolarHBondContact N-OE2 3.07Å; S1044-E1047 PolarHBondContact O-N 2.95Å; S1044-E1047 VanDerWaalsContact O-N 3.13Å; S1044-E1047 PolarHBondContact OG-N 3.46Å; E1047-S1051 WeakPolarHBondContact O-CB 3.37Å; E1047-S1051 PolarHBondContact O-N 3.08Å
1048	I	90.5	Very high	90.3	Very high	21 Å²	21	45.9 Å²	45.9	11%	0.108	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-48.4	168.6	-66	164.7	0	0	0	110.2	E1005 S1044 E1045 E1046 D1050 S1051 I1052	E1005-I1048 HydrophobicContact CB-CG2 4.21Å; S1044-I1048 WeakPolarHBondContact O-CG1 3.33Å; S1044-I1048 PolarHBondContact O-N 2.95Å; E1045-I1048 WeakPolarHBondContact O-CB 3.46Å; E1046-I1048 PolarHBondContact O-N 3.4Å; I1048-D1050 PolarHBondContact O-N 3.17Å; I1048-S1051 CarbonylContact O-C 3.58Å; I1048-S1051 WeakPolarHBondContact O-CA 3.41Å; I1048-S1051 VanDerWaalsContact O-CB 3.25Å; I1048-S1051 WeakPolarHBondContact O-CB 3.44Å; I1048-S1051 PolarHBondContact O-N 3.23Å; I1048-I1052 HydrophobicContact CG2-CD1 3.74Å; I1048-I1052 HydrophobicContact CG2-CG1 4.4Å; I1048-I1052 WeakPolarHBondContact O-CG1 3.37Å; I1048-I1052 PolarHBondContact O-N 3.07Å
1049	F	93.3	Very high	90.3	Very high	18 Å²	18	47.2 Å²	47.2	8%	0.079	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-44.3	175.7	-61.3	-19	0	0	0	113.2	F1000 P1004 L1007 L1012 E1045 E1046 S1051 I1052 V1053	F1000-F1049 HydrophobicContact CZ-CZ 4.2Å; P1004-F1049 HydrophobicContact CB-CE1 3.82Å; P1004-F1049 HydrophobicContact CB-CZ 4.36Å; L1007-F1049 HydrophobicContact CD1-CE1 3.85Å; L1007-F1049 HydrophobicContact CD1-CZ 4.35Å; L1012-F1049 HydrophobicContact CD1-CB 3.92Å; L1012-F1049 HydrophobicContact CD1-CD1 3.88Å; L1012-F1049 HydrophobicContact CD1-CG 4.08Å; L1012-F1049 HydrophobicContact CD2-CD1 3.67Å; L1012-F1049 HydrophobicContact CD2-CD2 4.41Å; L1012-F1049 HydrophobicContact CD2-CE1 3.92Å; L1012-F1049 HydrophobicContact CD2-CG 3.97Å; L1012-F1049 HydrophobicContact CD2-CZ 4.41Å; L1012-F1049 HydrophobicContact CG-CD1 4.46Å; E1045-F1049 HydrophobicContact CB-CE1 4.44Å; E1045-F1049 HydrophobicContact CB-CE2 4.32Å; E1045-F1049 HydrophobicContact CB-CZ 4.02Å; E1045-F1049 WeakPolarHBondContact O-CD1 3.33Å; E1045-F1049 WeakPolarHBondContact O-CD2 3.2Å; E1045-F1049 VanDerWaalsContact O-CE1 3.27Å; E1045-F1049 WeakPolarHBondContact O-CE1 3.45Å; E1045-F1049 WeakPolarHBondContact O-CG 3.44Å; E1045-F1049 PolarHBondContact O-N 3.25Å; E1046-F1049 HydrophobicContact CB-CD2 4.29Å; E1046-F1049 HydrophobicContact CG-CD2 3.51Å; E1046-F1049 HydrophobicContact CG-CE2 4.01Å; E1046-F1049 HydrophobicContact CG-CG 4.4Å; E1046-F1049 PolarHBondContact O-N 2.93Å; F1049-S1051 VanDerWaalsContact C-N 3.32Å; F1049-S1051 PolarHBondContact O-N 3.14Å; F1049-I1052 PolarHBondContact O-N 2.86Å; F1049-V1053 WeakPolarHBondContact O-CB 3.42Å; F1049-V1053 WeakPolarHBondContact O-CG2 3.31Å; F1049-V1053 PolarHBondContact O-N 3.3Å
1050	D	90.9	Very high	90.2	Very high	57 Å²	57	48.4 Å²	48.4	31%	0.305	28%	0.275	S	S	.	.	H	α-helix	trans	-64.2	-36.8	173.2	174.7	73.4	0	0	0	111.9	L53 E1046 I1048 V1053 N1054	L53-D1050 HydrophobicContact CD2-CB 3.83Å; E1046-D1050 PolarHBondContact O-N 3.33Å; I1048-D1050 PolarHBondContact O-N 3.17Å; D1050-V1053 PolarHBondContact O-N 3.49Å; D1050-N1054 WeakPolarHBondContact O-CA 3.41Å; D1050-N1054 VanDerWaalsContact O-CB 3.29Å; D1050-N1054 WeakPolarHBondContact O-CB 3.27Å; D1050-N1054 PolarHBondContact O-N 3.24Å; D1050-N1054 PolarHBondContact OD1-ND2 3.16Å
1051	S	93.2	Very high	90.1	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.028	32%	0.315	C	S	.	.	H	α-helix	trans	-61.6	-49.4	173.8	-155.6	0	0	0	0	111.4	F1040 P1041 E1047 I1048 F1049 V1053 K1055 R1077	F1040-S1051 WeakPolarHBondContact CA-OG 3.23Å; F1040-S1051 WeakPolarHBondContact CD1-O 3.32Å; P1041-S1051 PolarHBondContact O-OG 3.33Å; E1047-S1051 WeakPolarHBondContact O-CB 3.37Å; E1047-S1051 PolarHBondContact O-N 3.08Å; I1048-S1051 CarbonylContact O-C 3.58Å; I1048-S1051 WeakPolarHBondContact O-CA 3.41Å; I1048-S1051 VanDerWaalsContact O-CB 3.25Å; I1048-S1051 WeakPolarHBondContact O-CB 3.44Å; I1048-S1051 PolarHBondContact O-N 3.23Å; F1049-S1051 VanDerWaalsContact C-N 3.32Å; F1049-S1051 PolarHBondContact O-N 3.14Å; S1051-V1053 PolarHBondContact O-N 3.47Å; S1051-K1055 WeakPolarHBondContact O-CB 3.49Å; S1051-K1055 PolarHBondContact O-N 3.29Å; S1051-R1077 PolarHBondContact O-NH2 3.05Å
1052	I	93.5	Very high	90.3	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.6	-47.3	175.5	-71.4	163.8	0	0	0	111.3	P1004 P1009 L1012 W1024 F1040 I1048 F1049 R1077	P1004-I1052 VanDerWaalsContact O-CD1 3.27Å; P1004-I1052 WeakPolarHBondContact O-CD1 3.17Å; P1009-I1052 HydrophobicContact CB-CG2 4.03Å; L1012-I1052 HydrophobicContact CD1-CB 4.02Å; L1012-I1052 HydrophobicContact CD1-CD1 4.28Å; L1012-I1052 HydrophobicContact CD1-CG2 3.64Å; W1024-I1052 HydrophobicContact CH2-CG2 4.42Å; W1024-I1052 HydrophobicContact CZ2-CG2 3.84Å; F1040-I1052 HydrophobicContact CB-CG1 3.71Å; F1040-I1052 HydrophobicContact CD1-CG1 4.42Å; F1040-I1052 HydrophobicContact CD2-CG1 3.77Å; F1040-I1052 HydrophobicContact CG-CB 4.46Å; F1040-I1052 HydrophobicContact CG-CG1 3.71Å; I1048-I1052 HydrophobicContact CG2-CD1 3.74Å; I1048-I1052 HydrophobicContact CG2-CG1 4.4Å; I1048-I1052 WeakPolarHBondContact O-CG1 3.37Å; I1048-I1052 PolarHBondContact O-N 3.07Å; F1049-I1052 PolarHBondContact O-N 2.86Å; I1052-R1077 PolarHBondContact O-NE 3.25Å; I1052-R1077 PolarHBondContact O-NH2 3.4Å
1053	V	93.4	Very high	90.7	Very high	40 Å²	40	58 Å²	58	24%	0.242	31%	0.305	C	S	.	.	H	α-helix	trans	-77.6	-36.3	-175.7	178.2	0	0	0	0	112.3	P1009 L1012 T1013 F1049 D1050 S1051 R1077	P1009-V1053 HydrophobicContact CB-CG2 4.48Å; L1012-V1053 HydrophobicContact CB-CG2 4.08Å; L1012-V1053 HydrophobicContact CD1-CG2 3.86Å; T1013-V1053 HydrophobicContact CG2-CG1 3.93Å; T1013-V1053 HydrophobicContact CG2-CG2 3.89Å; F1049-V1053 WeakPolarHBondContact O-CB 3.42Å; F1049-V1053 WeakPolarHBondContact O-CG2 3.31Å; F1049-V1053 PolarHBondContact O-N 3.3Å; D1050-V1053 PolarHBondContact O-N 3.49Å; S1051-V1053 PolarHBondContact O-N 3.47Å; V1053-R1077 WeakPolarHBondContact O-CD 3.28Å; V1053-R1077 PolarHBondContact O-NE 3.15Å
1054	N	89.7	Confident	91.3	Very high	109 Å²	109	54.5 Å²	54.5	58%	0.583	29%	0.292	S	S	*	.	H	α-helix	trans	-118.9	-28.1	-166.7	-62	-49.5	0	0	0	116.5	D1050	D1050-N1054 WeakPolarHBondContact O-CA 3.41Å; D1050-N1054 VanDerWaalsContact O-CB 3.29Å; D1050-N1054 WeakPolarHBondContact O-CB 3.27Å; D1050-N1054 PolarHBondContact O-N 3.24Å; D1050-N1054 PolarHBondContact OD1-ND2 3.16Å
1055	K	89.1	Confident	91.8	Very high	91 Å²	91	60.1 Å²	60.1	40%	0.396	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-92.8	133.6	-171.8	-61.5	-178	-157.2	148.6	0	113.4	S1051 R1077	S1051-K1055 WeakPolarHBondContact O-CB 3.49Å; S1051-K1055 PolarHBondContact O-N 3.29Å; K1055-R1077 PolarHBondContact O-NH1 3.34Å; K1055-R1077 PolarHBondContact O-NH2 3.44Å
1056	S	87.4	Confident	92.3	Very high	104 Å²	104	59.5 Å²	59.5	73%	0.727	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-65.7	136.4	171.5	53.3	0	0	0	0	111.4	C1058	S1056-C1058 PolarHBondContact O-N 3.17Å
1057	V	93	Very high	92.8	Very high	20 Å²	20	59.5 Å²	59.5	12%	0.121	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-62.6	133.1	172.6	-176.7	0	0	0	0	109.7	F1031 P1039 F1040 Y1059 L1075	F1031-V1057 HydrophobicContact CD2-CG1 3.88Å; F1031-V1057 HydrophobicContact CE2-CG1 3.48Å; F1031-V1057 VanDerWaalsContact CE2-CG1 3.48Å; F1031-V1057 HydrophobicContact CZ-CG1 4.22Å; P1039-V1057 HydrophobicContact CB-CG1 3.93Å; P1039-V1057 HydrophobicContact CB-CG2 4.36Å; F1040-V1057 HydrophobicContact CE1-CG2 3.52Å; F1040-V1057 HydrophobicContact CE2-CG2 4.32Å; F1040-V1057 HydrophobicContact CZ-CG2 3.4Å; V1057-Y1059 HydrophobicContact CB-CE1 4.32Å; V1057-Y1059 HydrophobicContact CB-CE2 4.04Å; V1057-Y1059 HydrophobicContact CG1-CD1 4.1Å; V1057-Y1059 HydrophobicContact CG1-CE1 3.57Å; V1057-Y1059 HydrophobicContact CG1-CE2 4.1Å; V1057-L1075 HydrophobicContact CG1-CD1 4.42Å; V1057-L1075 HydrophobicContact CG2-CB 4.42Å; V1057-L1075 HydrophobicContact CG2-CD1 3.88Å
1058	C	92	Very high	93.1	Very high	107 Å²	107	60.2 Å²	60.2	72%	0.723	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-93.1	122	173.3	-171.1	0	0	0	0	109.4	F1031 S1056 P1060	F1031-C1058 WeakPolarHBondContact CE2-O 3.49Å; F1031-C1058 WeakPolarHBondContact CZ-O 3.49Å; S1056-C1058 PolarHBondContact O-N 3.17Å; C1058-P1060 WeakPolarHBondContact O-CD 3.41Å
1059	Y	93.4	Very high	93.4	Very high	60 Å²	60	62.4 Å²	62.4	24%	0.235	33%	0.329	C	S	.	.			trans	-105	111.9	179.7	-61.5	-73.1	0	0	0	111	F1031 V1057 L1063 K1068 M1071 G1072	F1031-Y1059 HydrophobicContact CD2-CD1 4.14Å; F1031-Y1059 HydrophobicContact CD2-CE1 4.01Å; F1031-Y1059 AromaticContact CE2-CD1 3.94Å; F1031-Y1059 HydrophobicContact CE2-CD1 3.94Å; F1031-Y1059 HydrophobicContact CE2-CE1 4.14Å; V1057-Y1059 HydrophobicContact CB-CE1 4.32Å; V1057-Y1059 HydrophobicContact CB-CE2 4.04Å; V1057-Y1059 HydrophobicContact CG1-CD1 4.1Å; V1057-Y1059 HydrophobicContact CG1-CE1 3.57Å; V1057-Y1059 HydrophobicContact CG1-CE2 4.1Å; Y1059-L1063 HydrophobicContact CD1-CD1 4.31Å; Y1059-K1068 HydrophobicContact CG-CG 4.32Å; Y1059-M1071 HydrophobicContact CD1-CE 4.27Å; Y1059-M1071 HydrophobicContact CE1-CB 3.69Å; Y1059-M1071 HydrophobicContact CE1-CE 4.36Å; Y1059-M1071 HydrophobicContact CE1-SD 4.2Å; Y1059-G1072 WeakPolarHBondContact OH-CA 3.42Å; Y1059-G1072 PolarHBondContact OH-N 3.15Å
1060	P	91.6	Very high	93.6	Very high	34 Å²	34	61.6 Å²	61.6	22%	0.221	33%	0.326	C	S	.	.			trans	-52.1	151.7	176.1	-30.1	35	0	0	0	114.8	V1035 C1058 Y1062 L1063 K1068	V1035-P1060 HydrophobicContact CG1-CG 4.24Å; V1035-P1060 HydrophobicContact CG2-CG 4.32Å; C1058-P1060 WeakPolarHBondContact O-CD 3.41Å; P1060-Y1062 VanDerWaalsContact C-N 3.28Å; P1060-Y1062 HydrophobicContact CB-CD1 3.64Å; P1060-Y1062 HydrophobicContact CB-CE1 3.24Å; P1060-Y1062 HydrophobicContact CB-CE2 4.25Å; P1060-Y1062 HydrophobicContact CB-CG 4.3Å; P1060-Y1062 HydrophobicContact CG-CE1 3.92Å; P1060-Y1062 PolarHBondContact O-N 3.45Å; P1060-L1063 HydrophobicContact CB-CG 4.46Å; P1060-L1063 HydrophobicContact CG-CD1 4.49Å; P1060-L1063 PolarHBondContact O-N 2.95Å; P1060-K1068 WeakPolarHBondContact O-CE 3.32Å; P1060-K1068 PolarHBondContact O-NZ 2.93Å
1061	N	92.3	Very high	94	Very high	159 Å²	159	58.9 Å²	58.9	85%	0.85	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.7	-176	-75.5	-21.8	0	0	0	114.3
1062	Y	93.8	Very high	94.1	Very high	151 Å²	151	60.3 Å²	60.3	59%	0.592	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-17.6	179.3	61.7	-106.1	0	0	0	114.3	P1060	P1060-Y1062 VanDerWaalsContact C-N 3.28Å; P1060-Y1062 HydrophobicContact CB-CD1 3.64Å; P1060-Y1062 HydrophobicContact CB-CE1 3.24Å; P1060-Y1062 HydrophobicContact CB-CE2 4.25Å; P1060-Y1062 HydrophobicContact CB-CG 4.3Å; P1060-Y1062 HydrophobicContact CG-CE1 3.92Å; P1060-Y1062 PolarHBondContact O-N 3.45Å
1063	L	95.1	Very high	94.3	Very high	11 Å²	11	65.5 Å²	65.5	6%	0.058	35%	0.346	C	S	.	.	S	Bend	trans	-69.4	139.2	178	-62.3	171.9	0	0	0	110.6	L1034 V1035 Y1059 P1060 K1068 M1071	L1034-L1063 HydrophobicContact CB-CD2 3.65Å; L1034-L1063 HydrophobicContact CD1-CD2 4.2Å; L1034-L1063 HydrophobicContact CG-CD2 4.45Å; V1035-L1063 HydrophobicContact CG2-CD1 4.08Å; V1035-L1063 HydrophobicContact CG2-CD2 4.22Å; Y1059-L1063 HydrophobicContact CD1-CD1 4.31Å; P1060-L1063 HydrophobicContact CB-CG 4.46Å; P1060-L1063 HydrophobicContact CG-CD1 4.49Å; P1060-L1063 PolarHBondContact O-N 2.95Å; L1063-K1068 HydrophobicContact CB-CG 4.09Å; L1063-K1068 VanDerWaalsContact O-CE 3.3Å; L1063-K1068 WeakPolarHBondContact O-CE 3.27Å; L1063-M1071 HydrophobicContact CD1-CE 3.93Å
1064	S	96.1	Very high	94.6	Very high	34 Å²	34	63.6 Å²	63.6	24%	0.238	34%	0.335	C	S	.	.			trans	-63.5	160.3	176.7	86.5	0	0	0	0	112.3	E939 E1066 A1067 K1068	E939-S1064 VanDerWaalsContact OE1-CB 3.28Å; E939-S1064 WeakPolarHBondContact OE1-CB 3.32Å; E939-S1064 PolarHBondContact OE1-OG 2.87Å; E939-S1064 WeakPolarHBondContact OE2-CB 3.47Å; E939-S1064 PolarHBondContact OE2-OG 2.76Å; S1064-E1066 PolarHBondContact O-N 3.46Å; S1064-E1066 PolarHBondContact OG-N 3.01Å; S1064-A1067 PolarHBondContact O-N 3.01Å; S1064-A1067 PolarHBondContact OG-N 3.36Å; S1064-K1068 WeakPolarHBondContact O-CG 3.31Å; S1064-K1068 PolarHBondContact O-N 2.87Å
1065	M	95.8	Very high	94.9	Very high	135 Å²	135	59 Å²	59	67%	0.665	31%	0.31	S	S	*	.	H	α-helix	trans	-62.2	-34.4	172.8	-172.3	61.1	177.5	0	0	111.5	L1069	M1065-L1069 HydrophobicContact CE-CD1 4.17Å; M1065-L1069 HydrophobicContact CE-CD2 4.14Å; M1065-L1069 HydrophobicContact CE-CG 4.07Å; M1065-L1069 HydrophobicContact CG-CD1 3.99Å; M1065-L1069 HydrophobicContact CG-CG 4.36Å; M1065-L1069 VanDerWaalsContact O-CB 3.29Å; M1065-L1069 WeakPolarHBondContact O-CB 3.36Å; M1065-L1069 WeakPolarHBondContact O-CD1 3.15Å; M1065-L1069 WeakPolarHBondContact O-CG 3.45Å; M1065-L1069 PolarHBondContact O-N 3.27Å; M1065-L1069 HydrophobicContact SD-CG 4.47Å
1066	E	97.1	Very high	95.3	Very high	59 Å²	59	59.8 Å²	59.8	28%	0.276	31%	0.31	S	S	.	.	H	α-helix	trans	-68.7	-41.9	179.9	-59.5	-171.4	144.7	0	0	110.8	S1064 L1069 I1070 P1097 F1098 R1100	S1064-E1066 PolarHBondContact O-N 3.46Å; S1064-E1066 PolarHBondContact OG-N 3.01Å; E1066-L1069 PolarHBondContact O-N 2.84Å; E1066-I1070 PolarHBondContact O-N 3.46Å; E1066-I1070 VanDerWaalsContact O-N 3.09Å; E1066-P1097 HydrophobicContact CB-CB 4.24Å; E1066-P1097 HydrophobicContact CG-CB 3.83Å; E1066-P1097 WeakPolarHBondContact OE1-CB 3.36Å; E1066-F1098 HydrophobicContact CB-CB 4.49Å; E1066-R1100 IonicContact OE1-NH1 2.96Å; E1066-R1100 PolarHBondContact OE1-NH1 3.08Å
1067	A	97.5	Very high	95.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.4	-46.8	173.1	0	0	0	0	0	112.6	L1034 S1064 L1069 I1070 M1071 F1098	L1034-A1067 HydrophobicContact CD1-CB 3.86Å; S1064-A1067 PolarHBondContact O-N 3.01Å; S1064-A1067 PolarHBondContact OG-N 3.36Å; A1067-L1069 VanDerWaalsContact C-N 3.33Å; A1067-L1069 PolarHBondContact O-N 3.46Å; A1067-I1070 VanDerWaalsContact O-CG2 3.31Å; A1067-I1070 WeakPolarHBondContact O-CG2 3.21Å; A1067-I1070 PolarHBondContact O-N 2.92Å; A1067-M1071 HydrophobicContact CB-CE 4.03Å; A1067-M1071 VanDerWaalsContact O-CE 3.24Å; A1067-M1071 WeakPolarHBondContact O-CE 3.44Å; A1067-M1071 WeakPolarHBondContact O-CG 3.41Å; A1067-M1071 PolarHBondContact O-N 2.98Å; A1067-M1071 VanDerWaalsContact O-N 3.11Å; A1067-F1098 HydrophobicContact CB-CD2 4.02Å; A1067-F1098 HydrophobicContact CB-CE2 3.87Å
1068	K	96.8	Very high	95.6	Very high	50 Å²	50	62.6 Å²	62.6	22%	0.217	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-40.3	175.9	-69.9	179.7	-173.7	-175.3	0	112.2	Y1059 P1060 L1063 S1064 G1072	Y1059-K1068 HydrophobicContact CG-CG 4.32Å; P1060-K1068 WeakPolarHBondContact O-CE 3.32Å; P1060-K1068 PolarHBondContact O-NZ 2.93Å; L1063-K1068 HydrophobicContact CB-CG 4.09Å; L1063-K1068 VanDerWaalsContact O-CE 3.3Å; L1063-K1068 WeakPolarHBondContact O-CE 3.27Å; S1064-K1068 WeakPolarHBondContact O-CG 3.31Å; S1064-K1068 PolarHBondContact O-N 2.87Å; K1068-G1072 PolarHBondContact O-N 2.76Å
1069	L	96.8	Very high	95.7	Very high	67 Å²	67	58.4 Å²	58.4	35%	0.351	28%	0.283	S	S	.	.	H	α-helix	trans	-65.9	-43.5	179.9	-79.7	170	0	0	0	112.7	M1065 E1066 A1067 R1073	M1065-L1069 HydrophobicContact CE-CD1 4.17Å; M1065-L1069 HydrophobicContact CE-CD2 4.14Å; M1065-L1069 HydrophobicContact CE-CG 4.07Å; M1065-L1069 HydrophobicContact CG-CD1 3.99Å; M1065-L1069 HydrophobicContact CG-CG 4.36Å; M1065-L1069 VanDerWaalsContact O-CB 3.29Å; M1065-L1069 WeakPolarHBondContact O-CB 3.36Å; M1065-L1069 WeakPolarHBondContact O-CD1 3.15Å; M1065-L1069 WeakPolarHBondContact O-CG 3.45Å; M1065-L1069 PolarHBondContact O-N 3.27Å; M1065-L1069 HydrophobicContact SD-CG 4.47Å; E1066-L1069 PolarHBondContact O-N 2.84Å; A1067-L1069 VanDerWaalsContact C-N 3.33Å; A1067-L1069 PolarHBondContact O-N 3.46Å; L1069-R1073 WeakPolarHBondContact O-CB 3.2Å; L1069-R1073 VanDerWaalsContact O-CG 3.25Å; L1069-R1073 WeakPolarHBondContact O-CG 3.3Å; L1069-R1073 PolarHBondContact O-N 3.46Å
1070	I	98.1	Very high	95.7	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-69.4	-46.9	178.5	-169.8	169.4	0	0	0	111.3	I1030 E1066 A1067 G1072 R1073 L1074 L1083 I1093 Q1096 F1098 F1099	I1030-I1070 HydrophobicContact CD1-CD1 4.38Å; E1066-I1070 PolarHBondContact O-N 3.46Å; E1066-I1070 VanDerWaalsContact O-N 3.09Å; A1067-I1070 VanDerWaalsContact O-CG2 3.31Å; A1067-I1070 WeakPolarHBondContact O-CG2 3.21Å; A1067-I1070 PolarHBondContact O-N 2.92Å; I1070-G1072 VanDerWaalsContact C-N 3.35Å; I1070-G1072 PolarHBondContact O-N 3.07Å; I1070-R1073 PolarHBondContact O-N 3.15Å; I1070-L1074 HydrophobicContact CD1-CD1 4.28Å; I1070-L1074 HydrophobicContact CG1-CD1 3.79Å; I1070-L1074 HydrophobicContact CG1-CG 4.21Å; I1070-L1074 WeakPolarHBondContact O-CG 3.06Å; I1070-L1074 PolarHBondContact O-N 3.37Å; I1070-L1083 HydrophobicContact CG1-CD2 4.27Å; I1070-I1093 HydrophobicContact CD1-CG2 4.44Å; I1070-Q1096 HydrophobicContact CD1-CB 4.04Å; I1070-Q1096 HydrophobicContact CD1-CG 4.13Å; I1070-Q1096 HydrophobicContact CG1-CB 4.4Å; I1070-Q1096 HydrophobicContact CG1-CG 4.21Å; I1070-F1098 HydrophobicContact CB-CB 4.11Å; I1070-F1098 HydrophobicContact CB-CG 4.48Å; I1070-F1098 HydrophobicContact CD1-CB 4.14Å; I1070-F1098 HydrophobicContact CD1-CD1 3.94Å; I1070-F1098 HydrophobicContact CD1-CG 4.35Å; I1070-F1098 HydrophobicContact CG2-CB 3.77Å; I1070-F1098 HydrophobicContact CG2-CD1 3.97Å; I1070-F1098 HydrophobicContact CG2-CD2 3.99Å; I1070-F1098 HydrophobicContact CG2-CG 3.66Å; I1070-F1099 HydrophobicContact CD1-CD2 3.95Å; I1070-F1099 HydrophobicContact CD1-CE2 3.42Å; I1070-F1099 VanDerWaalsContact CD1-CE2 3.42Å; I1070-F1099 HydrophobicContact CD1-CZ 4.28Å
1071	M	97.9	Very high	95.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-42	178	-71.9	-175.7	-82.3	0	0	111.9	I1030 F1031 L1034 Y1059 L1063 A1067 R1073 L1074 L1075	I1030-M1071 HydrophobicContact CB-CG 4.26Å; I1030-M1071 HydrophobicContact CG2-CG 3.77Å; I1030-M1071 HydrophobicContact CG2-SD 4.02Å; F1031-M1071 WeakPolarHBondContact CA-SD 3.17Å; F1031-M1071 HydrophobicContact CB-SD 3.63Å; F1031-M1071 HydrophobicContact CD2-SD 3.72Å; F1031-M1071 HydrophobicContact CG-SD 4.1Å; L1034-M1071 HydrophobicContact CD1-CE 3.87Å; Y1059-M1071 HydrophobicContact CD1-CE 4.27Å; Y1059-M1071 HydrophobicContact CE1-CB 3.69Å; Y1059-M1071 HydrophobicContact CE1-CE 4.36Å; Y1059-M1071 HydrophobicContact CE1-SD 4.2Å; L1063-M1071 HydrophobicContact CD1-CE 3.93Å; A1067-M1071 HydrophobicContact CB-CE 4.03Å; A1067-M1071 VanDerWaalsContact O-CE 3.24Å; A1067-M1071 WeakPolarHBondContact O-CE 3.44Å; A1067-M1071 WeakPolarHBondContact O-CG 3.41Å; A1067-M1071 PolarHBondContact O-N 2.98Å; A1067-M1071 VanDerWaalsContact O-N 3.11Å; M1071-R1073 PolarHBondContact O-N 2.83Å; M1071-L1074 PolarHBondContact O-N 2.77Å; M1071-L1075 VanDerWaalsContact O-CB 3.28Å; M1071-L1075 WeakPolarHBondContact O-CB 3.46Å; M1071-L1075 WeakPolarHBondContact O-CG 3.45Å; M1071-L1075 PolarHBondContact O-N 2.95Å
1072	G	96.6	Very high	96	Very high	34 Å²	34	56 Å²	56	35%	0.351	28%	0.279	S	S	.	.	H	α-helix	trans	-67.7	-13	176.2	0	0	0	0	0	114.8	Y1059 K1068 I1070 R1076	Y1059-G1072 WeakPolarHBondContact OH-CA 3.42Å; Y1059-G1072 PolarHBondContact OH-N 3.15Å; K1068-G1072 PolarHBondContact O-N 2.76Å; I1070-G1072 VanDerWaalsContact C-N 3.35Å; I1070-G1072 PolarHBondContact O-N 3.07Å; G1072-R1076 WeakPolarHBondContact O-CG 3.33Å
1073	R	97.6	Very high	96.2	Very high	109 Å²	109	49.6 Å²	49.6	41%	0.411	26%	0.256	S	S	.	.	H	α-helix	trans	-97.3	-33.6	174.4	-74.9	176.4	174.3	-165.6	-6	112.9	L1069 I1070 M1071 L1083	L1069-R1073 WeakPolarHBondContact O-CB 3.2Å; L1069-R1073 VanDerWaalsContact O-CG 3.25Å; L1069-R1073 WeakPolarHBondContact O-CG 3.3Å; L1069-R1073 PolarHBondContact O-N 3.46Å; I1070-R1073 PolarHBondContact O-N 3.15Å; M1071-R1073 PolarHBondContact O-N 2.83Å; R1073-L1083 HydrophobicContact CB-CB 3.95Å; R1073-L1083 HydrophobicContact CB-CD2 4.21Å; R1073-L1083 PolarHBondContact O-N 3.01Å; R1073-L1083 VanDerWaalsContact O-N 3.14Å
1074	L	98.2	Very high	96.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-77.4	-39.2	173.8	-67.3	172.5	0	0	0	112.1	W1023 L1026 I1030 I1070 M1071 R1076 R1082 L1083 I1093	W1023-L1074 HydrophobicContact CB-CD2 4.15Å; W1023-L1074 WeakPolarHBondContact O-CD2 3.49Å; L1026-L1074 HydrophobicContact CB-CD1 4.43Å; L1026-L1074 HydrophobicContact CD2-CD1 4.1Å; L1026-L1074 HydrophobicContact CG-CD1 4.04Å; I1030-L1074 HydrophobicContact CD1-CD1 4.03Å; I1070-L1074 HydrophobicContact CD1-CD1 4.28Å; I1070-L1074 HydrophobicContact CG1-CD1 3.79Å; I1070-L1074 HydrophobicContact CG1-CG 4.21Å; I1070-L1074 WeakPolarHBondContact O-CG 3.06Å; I1070-L1074 PolarHBondContact O-N 3.37Å; M1071-L1074 PolarHBondContact O-N 2.77Å; L1074-R1076 PolarHBondContact O-N 2.85Å; L1074-R1076 VanDerWaalsContact O-N 3.08Å; L1074-R1082 WeakPolarHBondContact O-CD 3.37Å; L1074-R1082 WeakPolarHBondContact O-CG 3.24Å; L1074-R1082 PolarHBondContact O-NE 2.96Å; L1074-L1083 HydrophobicContact CD2-CB 4.11Å; L1074-L1083 HydrophobicContact CD2-CD2 3.99Å; L1074-L1083 HydrophobicContact CD2-CG 4.3Å; L1074-L1083 HydrophobicContact CG-CD2 4.24Å; L1074-I1093 HydrophobicContact CD2-CD1 4.01Å; L1074-I1093 HydrophobicContact CD2-CG1 4.27Å
1075	L	97.3	Very high	96.2	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.063	25%	0.251	C	S	.	.	S	Bend	trans	-84.8	31.2	177.9	-59.9	178.7	0	0	0	112.9	W1024 V1028 P1039 F1040 V1057 M1071	W1024-L1075 HydrophobicContact CD2-CD2 3.95Å; W1024-L1075 HydrophobicContact CE3-CD2 4.05Å; W1024-L1075 HydrophobicContact CH2-CD2 4.37Å; W1024-L1075 HydrophobicContact CZ2-CD2 4.25Å; W1024-L1075 HydrophobicContact CZ3-CB 4.23Å; W1024-L1075 HydrophobicContact CZ3-CD2 4.27Å; W1024-L1075 WeakPolarHBondContact CZ3-O 3.18Å; V1028-L1075 HydrophobicContact CG2-CD2 3.74Å; P1039-L1075 HydrophobicContact CB-CD1 4.41Å; P1039-L1075 HydrophobicContact CG-CD1 4.49Å; F1040-L1075 HydrophobicContact CE2-CD2 4.23Å; V1057-L1075 HydrophobicContact CG1-CD1 4.42Å; V1057-L1075 HydrophobicContact CG2-CB 4.42Å; V1057-L1075 HydrophobicContact CG2-CD1 3.88Å; M1071-L1075 VanDerWaalsContact O-CB 3.28Å; M1071-L1075 WeakPolarHBondContact O-CB 3.46Å; M1071-L1075 WeakPolarHBondContact O-CG 3.45Å; M1071-L1075 PolarHBondContact O-N 2.95Å
1076	R	96.1	Very high	96.1	Very high	108 Å²	108	44.6 Å²	44.6	41%	0.408	23%	0.234	S	C	.	.			trans	-78.1	127.5	170	-76.3	-178.9	165.9	-160.4	-7.3	109.8	G1072 L1074 Q1081 R1082	G1072-R1076 WeakPolarHBondContact O-CG 3.33Å; L1074-R1076 PolarHBondContact O-N 2.85Å; L1074-R1076 VanDerWaalsContact O-N 3.08Å; R1076-Q1081 WeakPolarHBondContact CD-O 3.27Å; R1076-Q1081 PolarHBondContact NH1-O 3.46Å; R1076-R1082 HydrophobicContact CB-CB 4.15Å; R1076-R1082 PolarHBondContact O-NE 3.47Å; R1076-R1082 PolarHBondContact O-NH2 3.33Å
1077	R	94.7	Very high	95.8	Very high	83 Å²	83	45.9 Å²	45.9	31%	0.313	26%	0.255	S	S	.	.	S	Bend	trans	-64.7	-47.8	-177.5	-71.2	174.9	161	81.1	15.3	113.2	P1009 S1051 I1052 V1053 K1055 A1079 R1082	P1009-R1077 HydrophobicContact CG-CB 4.14Å; P1009-R1077 HydrophobicContact CG-CG 4.18Å; S1051-R1077 PolarHBondContact O-NH2 3.05Å; I1052-R1077 PolarHBondContact O-NE 3.25Å; I1052-R1077 PolarHBondContact O-NH2 3.4Å; V1053-R1077 WeakPolarHBondContact O-CD 3.28Å; V1053-R1077 PolarHBondContact O-NE 3.15Å; K1055-R1077 PolarHBondContact O-NH1 3.34Å; K1055-R1077 PolarHBondContact O-NH2 3.44Å; R1077-A1079 PolarHBondContact O-N 3.13Å; R1077-A1079 VanDerWaalsContact O-N 3.15Å; R1077-R1082 PolarHBondContact O-NH2 3.5Å
1078	N	92.8	Very high	95.7	Very high	99 Å²	99	51 Å²	51	53%	0.529	28%	0.279	S	S	.	.	S	Bend	trans	-70.5	109.7	173.5	-179.4	-15.2	0	0	0	109.4	A1080 Q1081 R1082	N1078-A1080 VanDerWaalsContact C-N 3.29Å; N1078-A1080 PolarHBondContact O-N 3Å; N1078-A1080 WeakPolarHBondContact OD1-CB 3.17Å; N1078-A1080 PolarHBondContact OD1-N 3.35Å; N1078-Q1081 HydrophobicContact CB-CB 4.29Å; N1078-Q1081 HydrophobicContact CB-CG 4.42Å; N1078-Q1081 PolarHBondContact O-N 2.99Å; N1078-R1082 PolarHBondContact O-N 3.26Å
1079	A	94.3	Very high	95.7	Very high	20 Å²	20	49.2 Å²	49.2	17%	0.165	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-53.9	-42.3	179	0	0	0	0	0	112.5	A1020 R1077 Q1081 R1082 S1085	A1020-A1079 HydrophobicContact CB-CB 4.21Å; R1077-A1079 PolarHBondContact O-N 3.13Å; R1077-A1079 VanDerWaalsContact O-N 3.15Å; A1079-Q1081 PolarHBondContact O-N 3.2Å; A1079-R1082 WeakPolarHBondContact O-CB 3.27Å; A1079-R1082 PolarHBondContact O-N 3.45Å; A1079-S1085 WeakPolarHBondContact O-CB 3.23Å; A1079-S1085 PolarHBondContact O-OG 2.88Å
1080	A	92.8	Very high	95.7	Very high	79 Å²	79	46 Å²	46	65%	0.653	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-65.9	-10.5	179.1	0	0	0	0	0	114.3	N1078	N1078-A1080 VanDerWaalsContact C-N 3.29Å; N1078-A1080 PolarHBondContact O-N 3Å; N1078-A1080 WeakPolarHBondContact OD1-CB 3.17Å; N1078-A1080 PolarHBondContact OD1-N 3.35Å
1081	Q	94.2	Very high	95.7	Very high	116 Å²	116	49.7 Å²	49.7	54%	0.542	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-110.4	-1.6	175.6	-67.5	-63.7	-55	0	0	112.9	R1076 N1078 A1079	R1076-Q1081 WeakPolarHBondContact CD-O 3.27Å; R1076-Q1081 PolarHBondContact NH1-O 3.46Å; N1078-Q1081 HydrophobicContact CB-CB 4.29Å; N1078-Q1081 HydrophobicContact CB-CG 4.42Å; N1078-Q1081 PolarHBondContact O-N 2.99Å; A1079-Q1081 PolarHBondContact O-N 3.2Å
1082	R	97.3	Very high	95.7	Very high	6 Å²	6	51.7 Å²	51.7	2%	0.023	28%	0.282	C	S	.	.	S	Bend	trans	-81.9	136.9	-178.3	-176.8	-176.3	-53.8	141.8	7.1	110.5	E1010 A1020 L1074 R1076 R1077 N1078 A1079 G1084 S1085	E1010-R1082 IonicContact OE1-CZ 3.54Å; E1010-R1082 IonicContact OE1-NH1 3.66Å; E1010-R1082 PolarHBondContact OE1-NH1 2.85Å; E1010-R1082 IonicContact OE1-NH2 3.14Å; E1010-R1082 PolarHBondContact OE1-NH2 3.17Å; E1010-R1082 IonicContact OE2-CZ 3.16Å; E1010-R1082 IonicContact OE2-NH1 2.66Å; E1010-R1082 PolarHBondContact OE2-NH1 3.46Å; E1010-R1082 IonicContact OE2-NH2 3.56Å; E1010-R1082 PolarHBondContact OE2-NH2 3.12Å; A1020-R1082 PolarHBondContact O-NH1 3.11Å; L1074-R1082 WeakPolarHBondContact O-CD 3.37Å; L1074-R1082 WeakPolarHBondContact O-CG 3.24Å; L1074-R1082 PolarHBondContact O-NE 2.96Å; R1076-R1082 HydrophobicContact CB-CB 4.15Å; R1076-R1082 PolarHBondContact O-NE 3.47Å; R1076-R1082 PolarHBondContact O-NH2 3.33Å; R1077-R1082 PolarHBondContact O-NH2 3.5Å; N1078-R1082 PolarHBondContact O-N 3.26Å; A1079-R1082 WeakPolarHBondContact O-CB 3.27Å; A1079-R1082 PolarHBondContact O-N 3.45Å; R1082-G1084 PolarHBondContact O-N 3.37Å; R1082-S1085 WeakPolarHBondContact CB-OG 2.98Å; R1082-S1085 WeakPolarHBondContact O-CB 3.38Å; R1082-S1085 PolarHBondContact O-N 3.17Å; R1082-S1085 VanDerWaalsContact O-N 3.09Å; R1082-S1085 PolarHBondContact O-OG 2.95Å
1083	L	97.7	Very high	95.7	Very high	18 Å²	18	50.1 Å²	50.1	9%	0.094	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	135.2	177.3	178.5	72.1	0	0	0	111.4	I1070 R1073 L1074 S1085 E1092 I1093 Q1096	I1070-L1083 HydrophobicContact CG1-CD2 4.27Å; R1073-L1083 HydrophobicContact CB-CB 3.95Å; R1073-L1083 HydrophobicContact CB-CD2 4.21Å; R1073-L1083 PolarHBondContact O-N 3.01Å; R1073-L1083 VanDerWaalsContact O-N 3.14Å; L1074-L1083 HydrophobicContact CD2-CB 4.11Å; L1074-L1083 HydrophobicContact CD2-CD2 3.99Å; L1074-L1083 HydrophobicContact CD2-CG 4.3Å; L1074-L1083 HydrophobicContact CG-CD2 4.24Å; L1083-S1085 VanDerWaalsContact C-N 3.31Å; L1083-E1092 HydrophobicContact CD1-CB 3.68Å; L1083-I1093 HydrophobicContact CD2-CG1 3.87Å; L1083-I1093 HydrophobicContact CG-CG1 3.75Å; L1083-Q1096 HydrophobicContact CD1-CG 4.41Å; L1083-Q1096 HydrophobicContact CD2-CG 3.49Å; L1083-Q1096 VanDerWaalsContact CD2-CG 3.49Å
1084	G	96.8	Very high	95.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-0.3	-176.4	0	0	0	0	0	114.6	W1023 R1082 S1086 D1089 E1092	W1023-G1084 VanDerWaalsContact CD1-C 3.47Å; W1023-G1084 PolarHBondContact NE1-O 2.64Å; R1082-G1084 PolarHBondContact O-N 3.37Å; G1084-S1086 VanDerWaalsContact C-N 3.34Å; G1084-D1089 WeakPolarHBondContact CA-O 3.39Å; G1084-D1089 WeakPolarHBondContact O-CA 3.36Å; G1084-E1092 PolarHBondContact N-OE2 3.43Å
1085	S	94	Very high	95.7	Very high	30 Å²	30	52.8 Å²	52.8	21%	0.21	28%	0.276	C	S	.	.			trans	-86.7	-4.5	-180	-47.6	0	0	0	0	113.9	A1020 A1079 R1082 L1083	A1020-S1085 WeakPolarHBondContact CB-OG 3.41Å; A1079-S1085 WeakPolarHBondContact O-CB 3.23Å; A1079-S1085 PolarHBondContact O-OG 2.88Å; R1082-S1085 WeakPolarHBondContact CB-OG 2.98Å; R1082-S1085 WeakPolarHBondContact O-CB 3.38Å; R1082-S1085 PolarHBondContact O-N 3.17Å; R1082-S1085 VanDerWaalsContact O-N 3.09Å; R1082-S1085 PolarHBondContact O-OG 2.95Å; L1083-S1085 VanDerWaalsContact C-N 3.31Å
1086	S	93.2	Very high	95.8	Very high	44 Å²	44	53 Å²	53	31%	0.308	28%	0.277	S	S	.	.	S	Bend	trans	-79.2	179.1	174.7	86.6	0	0	0	0	111.7	R1019 G1084 Q1088 D1089 E1092	R1019-S1086 PolarHBondContact NH2-O 3.04Å; G1084-S1086 VanDerWaalsContact C-N 3.34Å; S1086-Q1088 PolarHBondContact O-N 3.29Å; S1086-Q1088 PolarHBondContact OG-N 3.1Å; S1086-D1089 PolarHBondContact O-N 3.05Å; S1086-E1092 VanDerWaalsContact CB-OE1 3.22Å; S1086-E1092 WeakPolarHBondContact CB-OE1 3.45Å; S1086-E1092 PolarHBondContact OG-OE1 3.22Å
1087	A	92.1	Very high	95.8	Very high	86 Å²	86	49.8 Å²	49.8	71%	0.711	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.8	170.9	0	0	0	0	0	113.1	R1019	R1019-A1087 PolarHBondContact NH2-O 3.44Å
1088	Q	94.6	Very high	96	Very high	109 Å²	109	46.2 Å²	46.2	51%	0.509	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-18.8	-178.4	-60.4	-174.9	22.7	0	0	113.6	S1086 A1090 E1091 E1092	S1086-Q1088 PolarHBondContact O-N 3.29Å; S1086-Q1088 PolarHBondContact OG-N 3.1Å; Q1088-A1090 PolarHBondContact O-N 3.49Å; Q1088-E1091 HydrophobicContact CB-CB 4.41Å; Q1088-E1091 VanDerWaalsContact O-CB 3.29Å; Q1088-E1091 WeakPolarHBondContact O-CB 3.48Å; Q1088-E1091 PolarHBondContact O-N 2.83Å; Q1088-E1091 VanDerWaalsContact O-N 3.1Å; Q1088-E1092 HydrophobicContact CB-CG 3.86Å
1089	D	96.8	Very high	96.2	Very high	11 Å²	11	41.6 Å²	41.6	6%	0.059	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-128	167.3	-157.6	57.6	0	0	0	114	H957 R1019 W1023 G1084 S1086 E1091 E1092	H957-D1089 VanDerWaalsContact CB-OD2 3.29Å; H957-D1089 WeakPolarHBondContact CB-OD2 3.46Å; H957-D1089 IonicContact CE1-OD1 3.05Å; H957-D1089 IonicContact CG-OD2 3.21Å; H957-D1089 VanDerWaalsContact ND1-CG 3.26Å; H957-D1089 IonicContact ND1-OD1 3.38Å; H957-D1089 PolarHBondContact ND1-OD1 3.22Å; H957-D1089 IonicContact ND1-OD2 2.72Å; H957-D1089 PolarHBondContact ND1-OD2 3.13Å; R1019-D1089 VanDerWaalsContact CZ-CG 3.44Å; R1019-D1089 IonicContact CZ-OD1 2.83Å; R1019-D1089 IonicContact NE-OD1 2.69Å; R1019-D1089 PolarHBondContact NE-OD1 2.89Å; R1019-D1089 VanDerWaalsContact NE-OD1 3.14Å; R1019-D1089 IonicContact NH1-OD1 3.29Å; R1019-D1089 IonicContact NH1-OD2 2.68Å; R1019-D1089 IonicContact NH2-OD1 2.81Å; W1023-D1089 WeakPolarHBondContact CZ2-OD2 3.48Å; W1023-D1089 PolarHBondContact NE1-OD1 2.8Å; G1084-D1089 WeakPolarHBondContact CA-O 3.39Å; G1084-D1089 WeakPolarHBondContact O-CA 3.36Å; S1086-D1089 PolarHBondContact O-N 3.05Å; D1089-E1091 PolarHBondContact O-N 3.09Å; D1089-E1091 VanDerWaalsContact O-N 3.1Å; D1089-E1092 PolarHBondContact O-N 2.89Å; D1089-E1092 VanDerWaalsContact O-N 3.07Å
1090	A	97.6	Very high	96.3	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-51.8	-31	178.2	0	0	0	0	0	114.2	V950 E954 W1023 Q1088 E1092 I1093 K1094	V950-A1090 HydrophobicContact CG1-CB 4.38Å; E954-A1090 HydrophobicContact CB-CB 3.56Å; E954-A1090 HydrophobicContact CG-CB 3.74Å; W1023-A1090 HydrophobicContact CH2-CB 3.73Å; W1023-A1090 HydrophobicContact CZ2-CB 3.82Å; Q1088-A1090 PolarHBondContact O-N 3.49Å; A1090-E1092 PolarHBondContact O-N 2.9Å; A1090-I1093 WeakPolarHBondContact O-CA 3.35Å; A1090-I1093 WeakPolarHBondContact O-CB 3.4Å; A1090-I1093 PolarHBondContact O-N 3.09Å; A1090-K1094 WeakPolarHBondContact O-CG 3.22Å; A1090-K1094 PolarHBondContact O-N 3.09Å
1091	E	97.4	Very high	96.4	Very high	78 Å²	78	55.2 Å²	55.2	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-31.5	178.6	-76.2	-65.2	154.4	0	0	113	Q1088 D1089 I1093 K1094 R1095	Q1088-E1091 HydrophobicContact CB-CB 4.41Å; Q1088-E1091 VanDerWaalsContact O-CB 3.29Å; Q1088-E1091 WeakPolarHBondContact O-CB 3.48Å; Q1088-E1091 PolarHBondContact O-N 2.83Å; Q1088-E1091 VanDerWaalsContact O-N 3.1Å; D1089-E1091 PolarHBondContact O-N 3.09Å; D1089-E1091 VanDerWaalsContact O-N 3.1Å; E1091-I1093 VanDerWaalsContact C-N 3.31Å; E1091-K1094 VanDerWaalsContact CD-CE 3.42Å; E1091-K1094 WeakPolarHBondContact OE1-CE 3.39Å; E1091-K1094 IonicContact OE1-NZ 2.67Å; E1091-K1094 PolarHBondContact OE1-NZ 2.6Å; E1091-R1095 WeakPolarHBondContact O-CG 3.39Å; E1091-R1095 PolarHBondContact O-N 2.96Å; E1091-R1095 PolarHBondContact O-NE 3.11Å; E1091-R1095 PolarHBondContact O-NH1 3.18Å; E1091-R1095 PolarHBondContact O-NH2 3.09Å; E1091-R1095 IonicContact OE2-NH1 3.56Å
1092	E	97	Very high	96.5	Very high	43 Å²	43	50.7 Å²	50.7	20%	0.201	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-34.9	173.3	-58.3	-168.6	156.6	0	0	112.2	L1083 G1084 S1086 Q1088 D1089 A1090 Q1096	L1083-E1092 HydrophobicContact CD1-CB 3.68Å; G1084-E1092 PolarHBondContact N-OE2 3.43Å; S1086-E1092 VanDerWaalsContact CB-OE1 3.22Å; S1086-E1092 WeakPolarHBondContact CB-OE1 3.45Å; S1086-E1092 PolarHBondContact OG-OE1 3.22Å; Q1088-E1092 HydrophobicContact CB-CG 3.86Å; D1089-E1092 PolarHBondContact O-N 2.89Å; D1089-E1092 VanDerWaalsContact O-N 3.07Å; A1090-E1092 PolarHBondContact O-N 2.9Å; E1092-Q1096 PolarHBondContact O-NE2 2.92Å
1093	I	98.2	Very high	96.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-75.2	-47	-177.2	-65.1	169.8	0	0	0	109.8	V950 W1023 L1026 I1070 L1074 L1083 A1090 E1091 R1095 Q1096 F1099	V950-I1093 HydrophobicContact CG1-CG2 4.38Å; V950-I1093 HydrophobicContact CG2-CG2 3.74Å; W1023-I1093 HydrophobicContact CB-CD1 4.36Å; W1023-I1093 HydrophobicContact CD2-CD1 3.24Å; W1023-I1093 HydrophobicContact CE3-CD1 3.16Å; W1023-I1093 HydrophobicContact CG-CD1 3.8Å; W1023-I1093 HydrophobicContact CH2-CD1 3.92Å; W1023-I1093 HydrophobicContact CZ2-CD1 3.99Å; W1023-I1093 HydrophobicContact CZ3-CD1 3.52Å; L1026-I1093 HydrophobicContact CD2-CD1 4.32Å; L1026-I1093 HydrophobicContact CD2-CG2 4.1Å; I1070-I1093 HydrophobicContact CD1-CG2 4.44Å; L1074-I1093 HydrophobicContact CD2-CD1 4.01Å; L1074-I1093 HydrophobicContact CD2-CG1 4.27Å; L1083-I1093 HydrophobicContact CD2-CG1 3.87Å; L1083-I1093 HydrophobicContact CG-CG1 3.75Å; A1090-I1093 WeakPolarHBondContact O-CA 3.35Å; A1090-I1093 WeakPolarHBondContact O-CB 3.4Å; A1090-I1093 PolarHBondContact O-N 3.09Å; E1091-I1093 VanDerWaalsContact C-N 3.31Å; I1093-R1095 PolarHBondContact O-N 3.33Å; I1093-R1095 VanDerWaalsContact O-N 3.12Å; I1093-Q1096 WeakPolarHBondContact O-CB 3.36Å; I1093-Q1096 WeakPolarHBondContact O-CG 3.5Å; I1093-Q1096 PolarHBondContact O-N 3.07Å; I1093-F1099 HydrophobicContact CG2-CD2 4.38Å; I1093-F1099 HydrophobicContact CG2-CE2 3.7Å; I1093-F1099 WeakPolarHBondContact O-CD2 3.47Å
1094	K	98.3	Very high	96.5	Very high	29 Å²	29	54.9 Å²	54.9	13%	0.126	27%	0.269	C	S	.	.	H	α-helix	trans	-56.6	-28.6	177.2	-66.3	-173.2	-63.6	-171	0	113.1	V950 E954 A1090 E1091 F1104	V950-K1094 HydrophobicContact CG1-CD 4.35Å; V950-K1094 HydrophobicContact CG1-CG 3.77Å; E954-K1094 IonicContact OE1-NZ 2.78Å; E954-K1094 PolarHBondContact OE1-NZ 3.47Å; E954-K1094 WeakPolarHBondContact OE2-CE 3.47Å; E954-K1094 IonicContact OE2-NZ 2.68Å; E954-K1094 PolarHBondContact OE2-NZ 3.45Å; A1090-K1094 WeakPolarHBondContact O-CG 3.22Å; A1090-K1094 PolarHBondContact O-N 3.09Å; E1091-K1094 VanDerWaalsContact CD-CE 3.42Å; E1091-K1094 WeakPolarHBondContact OE1-CE 3.39Å; E1091-K1094 IonicContact OE1-NZ 2.67Å; E1091-K1094 PolarHBondContact OE1-NZ 2.6Å; K1094-F1104 HydrophobicContact CB-CD2 3.91Å; K1094-F1104 HydrophobicContact CB-CE2 3.6Å; K1094-F1104 HydrophobicContact CB-CZ 3.96Å; K1094-F1104 HydrophobicContact CD-CB 4.33Å; K1094-F1104 HydrophobicContact CD-CD1 3.87Å; K1094-F1104 HydrophobicContact CD-CD2 4.11Å; K1094-F1104 HydrophobicContact CD-CE1 4.17Å; K1094-F1104 HydrophobicContact CD-CE2 4.39Å; K1094-F1104 HydrophobicContact CD-CG 3.84Å; K1094-F1104 HydrophobicContact CD-CZ 4.43Å; K1094-F1104 HydrophobicContact CG-CD1 3.97Å; K1094-F1104 HydrophobicContact CG-CD2 3.95Å; K1094-F1104 HydrophobicContact CG-CE1 3.76Å; K1094-F1104 HydrophobicContact CG-CE2 3.73Å; K1094-F1104 HydrophobicContact CG-CG 4.06Å; K1094-F1104 HydrophobicContact CG-CZ 3.63Å
1095	R	97.2	Very high	96.6	Very high	136 Å²	136	61.4 Å²	61.4	51%	0.513	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.7	176.7	-68.6	-174.1	-60.3	-101.5	0.8	115.6	E1091 I1093	E1091-R1095 WeakPolarHBondContact O-CG 3.39Å; E1091-R1095 PolarHBondContact O-N 2.96Å; E1091-R1095 PolarHBondContact O-NE 3.11Å; E1091-R1095 PolarHBondContact O-NH1 3.18Å; E1091-R1095 PolarHBondContact O-NH2 3.09Å; E1091-R1095 IonicContact OE2-NH1 3.56Å; I1093-R1095 PolarHBondContact O-N 3.33Å; I1093-R1095 VanDerWaalsContact O-N 3.12Å
1096	Q	97.8	Very high	96.8	Very high	18 Å²	18	61 Å²	61	8%	0.084	30%	0.298	C	S	.	.	S	Bend	trans	-70.5	147	178.1	-62.7	-51.8	-69	0	0	111.8	I1070 L1083 E1092 I1093 F1098 F1099	I1070-Q1096 HydrophobicContact CD1-CB 4.04Å; I1070-Q1096 HydrophobicContact CD1-CG 4.13Å; I1070-Q1096 HydrophobicContact CG1-CB 4.4Å; I1070-Q1096 HydrophobicContact CG1-CG 4.21Å; L1083-Q1096 HydrophobicContact CD1-CG 4.41Å; L1083-Q1096 HydrophobicContact CD2-CG 3.49Å; L1083-Q1096 VanDerWaalsContact CD2-CG 3.49Å; E1092-Q1096 PolarHBondContact O-NE2 2.92Å; I1093-Q1096 WeakPolarHBondContact O-CB 3.36Å; I1093-Q1096 WeakPolarHBondContact O-CG 3.5Å; I1093-Q1096 PolarHBondContact O-N 3.07Å; Q1096-F1098 PolarHBondContact O-N 3.31Å; Q1096-F1098 VanDerWaalsContact O-N 3.08Å; Q1096-F1099 PolarHBondContact O-N 2.92Å
1097	P	97.4	Very high	97	Very high	40 Å²	40	58.9 Å²	58.9	26%	0.26	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-53.1	-33.5	179.6	-28.5	35.7	0	0	0	114.8	E1066 F1099 R1100	E1066-P1097 HydrophobicContact CB-CB 4.24Å; E1066-P1097 HydrophobicContact CG-CB 3.83Å; E1066-P1097 WeakPolarHBondContact OE1-CB 3.36Å; P1097-F1099 PolarHBondContact O-N 3.11Å; P1097-F1099 VanDerWaalsContact O-N 3.15Å; P1097-R1100 WeakPolarHBondContact O-CB 3.38Å; P1097-R1100 PolarHBondContact O-N 3.41Å
1098	F	98	Very high	97.2	Very high	7 Å²	7	57.6 Å²	57.6	3%	0.031	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-52.9	-33.5	175.5	-175.6	-107.7	0	0	0	113.6	E939 V943 A946 I1030 L1034 E1066 A1067 I1070 Q1096	E939-F1098 HydrophobicContact CG-CE2 3.88Å; V943-F1098 HydrophobicContact CB-CE1 4.35Å; V943-F1098 HydrophobicContact CB-CZ 4.44Å; V943-F1098 HydrophobicContact CG2-CD1 3.95Å; V943-F1098 HydrophobicContact CG2-CD2 3.99Å; V943-F1098 HydrophobicContact CG2-CE1 3.61Å; V943-F1098 HydrophobicContact CG2-CE2 3.67Å; V943-F1098 HydrophobicContact CG2-CG 4.14Å; V943-F1098 HydrophobicContact CG2-CZ 3.47Å; V943-F1098 VanDerWaalsContact CG2-CZ 3.47Å; V943-F1098 WeakPolarHBondContact CG2-O 3.47Å; A946-F1098 HydrophobicContact CB-CE1 4.48Å; I1030-F1098 HydrophobicContact CD1-CE1 4.19Å; I1030-F1098 HydrophobicContact CG2-CE1 4.29Å; I1030-F1098 HydrophobicContact CG2-CZ 3.91Å; L1034-F1098 HydrophobicContact CD1-CE2 4.26Å; L1034-F1098 HydrophobicContact CD1-CZ 4.43Å; E1066-F1098 HydrophobicContact CB-CB 4.49Å; A1067-F1098 HydrophobicContact CB-CD2 4.02Å; A1067-F1098 HydrophobicContact CB-CE2 3.87Å; I1070-F1098 HydrophobicContact CB-CB 4.11Å; I1070-F1098 HydrophobicContact CB-CG 4.48Å; I1070-F1098 HydrophobicContact CD1-CB 4.14Å; I1070-F1098 HydrophobicContact CD1-CD1 3.94Å; I1070-F1098 HydrophobicContact CD1-CG 4.35Å; I1070-F1098 HydrophobicContact CG2-CB 3.77Å; I1070-F1098 HydrophobicContact CG2-CD1 3.97Å; I1070-F1098 HydrophobicContact CG2-CD2 3.99Å; I1070-F1098 HydrophobicContact CG2-CG 3.66Å; Q1096-F1098 PolarHBondContact O-N 3.31Å; Q1096-F1098 VanDerWaalsContact O-N 3.08Å
1099	F	98.2	Very high	97.3	Very high	3 Å²	3	55 Å²	55	1%	0.013	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-98.9	6.5	177.6	-63.4	-69.2	0	0	0	113.8	V943 A946 V950 I1070 I1093 Q1096 P1097 K1101 L1102 F1104	V943-F1099 HydrophobicContact CG1-CD1 4Å; V943-F1099 HydrophobicContact CG1-CE1 4.5Å; A946-F1099 HydrophobicContact CB-CE1 3.93Å; A946-F1099 HydrophobicContact CB-CZ 3.86Å; V950-F1099 HydrophobicContact CG2-CE2 4.4Å; V950-F1099 HydrophobicContact CG2-CZ 4.1Å; I1070-F1099 HydrophobicContact CD1-CD2 3.95Å; I1070-F1099 HydrophobicContact CD1-CE2 3.42Å; I1070-F1099 VanDerWaalsContact CD1-CE2 3.42Å; I1070-F1099 HydrophobicContact CD1-CZ 4.28Å; I1093-F1099 HydrophobicContact CG2-CD2 4.38Å; I1093-F1099 HydrophobicContact CG2-CE2 3.7Å; I1093-F1099 WeakPolarHBondContact O-CD2 3.47Å; Q1096-F1099 PolarHBondContact O-N 2.92Å; P1097-F1099 PolarHBondContact O-N 3.11Å; P1097-F1099 VanDerWaalsContact O-N 3.15Å; F1099-K1101 PolarHBondContact O-N 2.91Å; F1099-L1102 HydrophobicContact CD1-CD2 3.74Å; F1099-L1102 HydrophobicContact CE1-CD2 4.3Å; F1099-L1102 WeakPolarHBondContact O-CB 3.43Å; F1099-L1102 PolarHBondContact O-N 3.22Å; F1099-F1104 HydrophobicContact CB-CE2 3.7Å; F1099-F1104 HydrophobicContact CB-CZ 3.79Å; F1099-F1104 HydrophobicContact CD1-CE2 4.47Å; F1099-F1104 AromaticContact CD1-CZ 3.74Å; F1099-F1104 HydrophobicContact CD1-CZ 3.74Å; F1099-F1104 HydrophobicContact CD2-CZ 4.13Å; F1099-F1104 HydrophobicContact CE1-CZ 4.31Å; F1099-F1104 HydrophobicContact CG-CE2 4.11Å; F1099-F1104 AromaticContact CG-CZ 3.64Å; F1099-F1104 HydrophobicContact CG-CZ 3.64Å
1100	R	96.1	Very high	97.3	Very high	182 Å²	182	57.9 Å²	57.9	69%	0.687	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-29.2	-174.8	174.4	-177.2	-80.9	148.1	-14.4	114.4	E1066 P1097	E1066-R1100 IonicContact OE1-NH1 2.96Å; E1066-R1100 PolarHBondContact OE1-NH1 3.08Å; P1097-R1100 WeakPolarHBondContact O-CB 3.38Å; P1097-R1100 PolarHBondContact O-N 3.41Å
1101	K	94.4	Very high	97.3	Very high	203 Å²	203	66 Å²	66	88%	0.883	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.6	-179.5	-62.6	-178.6	-176.9	174.5	0	113.7	F1099	F1099-K1101 PolarHBondContact O-N 2.91Å
1102	L	97	Very high	97.2	Very high	21 Å²	21	64.4 Å²	64.4	11%	0.11	30%	0.303	C	S	.	.			trans	-103.5	116.4	-176.1	-172.9	70.5	0	0	0	109.9	V943 F1099 F1104 L1107 I1112	V943-L1102 HydrophobicContact CG1-CB 4.2Å; V943-L1102 HydrophobicContact CG1-CD2 4.32Å; F1099-L1102 HydrophobicContact CD1-CD2 3.74Å; F1099-L1102 HydrophobicContact CE1-CD2 4.3Å; F1099-L1102 WeakPolarHBondContact O-CB 3.43Å; F1099-L1102 PolarHBondContact O-N 3.22Å; L1102-F1104 HydrophobicContact CD2-CD1 4.38Å; L1102-F1104 HydrophobicContact CD2-CE1 3.93Å; L1102-F1104 HydrophobicContact CD2-CE2 4.33Å; L1102-F1104 HydrophobicContact CD2-CZ 3.9Å; L1102-F1104 PolarHBondContact O-N 3.38Å; L1102-L1107 HydrophobicContact CD1-CD2 4.23Å; L1102-L1107 HydrophobicContact CD2-CD2 3.98Å; L1102-L1107 HydrophobicContact CG-CD2 4.38Å; L1102-I1112 HydrophobicContact CD1-CD1 3.87Å
1103	D	97.6	Very high	97.1	Very high	90 Å²	90	70.8 Å²	70.8	48%	0.481	33%	0.33	S	S	.	.			trans	-81.2	105.9	168.6	178.5	-11.1	0	0	0	108.9	Q1105 A1106 L1107 I1112	D1103-Q1105 VanDerWaalsContact C-N 3.27Å; D1103-Q1105 PolarHBondContact O-N 3.42Å; D1103-Q1105 WeakPolarHBondContact OD1-CA 3.36Å; D1103-Q1105 WeakPolarHBondContact OD1-CB 3.41Å; D1103-Q1105 PolarHBondContact OD1-N 3.45Å; D1103-A1106 HydrophobicContact CB-CB 3.84Å; D1103-A1106 VanDerWaalsContact CG-CB 3.48Å; D1103-A1106 PolarHBondContact O-N 2.91Å; D1103-A1106 PolarHBondContact OD1-N 2.85Å; D1103-A1106 WeakPolarHBondContact OD2-CB 3.48Å; D1103-L1107 WeakPolarHBondContact O-CB 3.42Å; D1103-L1107 PolarHBondContact O-N 3.46Å; D1103-I1112 HydrophobicContact CB-CD1 4.5Å; D1103-I1112 WeakPolarHBondContact O-CD1 3.46Å
1104	F	97.8	Very high	97	Very high	22 Å²	22	71.4 Å²	71.4	10%	0.096	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-27	179.2	-76.7	-83.4	0	0	0	113.7	V950 L951 K1094 F1099 L1102 L1108	V950-F1104 HydrophobicContact CB-CE1 4.33Å; V950-F1104 HydrophobicContact CG1-CE1 4.07Å; L951-F1104 HydrophobicContact CD1-CD1 4.07Å; L951-F1104 HydrophobicContact CD2-CB 4.43Å; L951-F1104 HydrophobicContact CD2-CD1 4.09Å; L951-F1104 HydrophobicContact CG-CD1 3.94Å; K1094-F1104 HydrophobicContact CB-CD2 3.91Å; K1094-F1104 HydrophobicContact CB-CE2 3.6Å; K1094-F1104 HydrophobicContact CB-CZ 3.96Å; K1094-F1104 HydrophobicContact CD-CB 4.33Å; K1094-F1104 HydrophobicContact CD-CD1 3.87Å; K1094-F1104 HydrophobicContact CD-CD2 4.11Å; K1094-F1104 HydrophobicContact CD-CE1 4.17Å; K1094-F1104 HydrophobicContact CD-CE2 4.39Å; K1094-F1104 HydrophobicContact CD-CG 3.84Å; K1094-F1104 HydrophobicContact CD-CZ 4.43Å; K1094-F1104 HydrophobicContact CG-CD1 3.97Å; K1094-F1104 HydrophobicContact CG-CD2 3.95Å; K1094-F1104 HydrophobicContact CG-CE1 3.76Å; K1094-F1104 HydrophobicContact CG-CE2 3.73Å; K1094-F1104 HydrophobicContact CG-CG 4.06Å; K1094-F1104 HydrophobicContact CG-CZ 3.63Å; F1099-F1104 HydrophobicContact CB-CE2 3.7Å; F1099-F1104 HydrophobicContact CB-CZ 3.79Å; F1099-F1104 HydrophobicContact CD1-CE2 4.47Å; F1099-F1104 AromaticContact CD1-CZ 3.74Å; F1099-F1104 HydrophobicContact CD1-CZ 3.74Å; F1099-F1104 HydrophobicContact CD2-CZ 4.13Å; F1099-F1104 HydrophobicContact CE1-CZ 4.31Å; F1099-F1104 HydrophobicContact CG-CE2 4.11Å; F1099-F1104 AromaticContact CG-CZ 3.64Å; F1099-F1104 HydrophobicContact CG-CZ 3.64Å; L1102-F1104 HydrophobicContact CD2-CD1 4.38Å; L1102-F1104 HydrophobicContact CD2-CE1 3.93Å; L1102-F1104 HydrophobicContact CD2-CE2 4.33Å; L1102-F1104 HydrophobicContact CD2-CZ 3.9Å; L1102-F1104 PolarHBondContact O-N 3.38Å; F1104-L1108 VanDerWaalsContact O-CB 3.28Å; F1104-L1108 WeakPolarHBondContact O-CB 3.16Å; F1104-L1108 PolarHBondContact O-N 2.87Å
1105	Q	97.5	Very high	96.8	Very high	137 Å²	137	72.7 Å²	72.7	64%	0.64	35%	0.345	S	S	*	.	H	α-helix	trans	-78.2	-42.3	177.3	-65.6	-64.5	-24.9	0	0	110.7	D1103 L1107 L1108 A1109	D1103-Q1105 VanDerWaalsContact C-N 3.27Å; D1103-Q1105 PolarHBondContact O-N 3.42Å; D1103-Q1105 WeakPolarHBondContact OD1-CA 3.36Å; D1103-Q1105 WeakPolarHBondContact OD1-CB 3.41Å; D1103-Q1105 PolarHBondContact OD1-N 3.45Å; Q1105-L1107 VanDerWaalsContact C-N 3.3Å; Q1105-L1107 PolarHBondContact O-N 3.02Å; Q1105-L1108 PolarHBondContact O-N 2.81Å; Q1105-A1109 VanDerWaalsContact O-CB 3.3Å; Q1105-A1109 WeakPolarHBondContact O-CB 3.35Å; Q1105-A1109 PolarHBondContact O-N 3.32Å
1106	A	97.8	Very high	96.6	Very high	21 Å²	21	69.1 Å²	69.1	17%	0.174	33%	0.334	C	S	.	.	H	α-helix	trans	-64.8	-35	171.1	0	0	0	0	0	112	D1103 Q1110 K1111 I1112	D1103-A1106 HydrophobicContact CB-CB 3.84Å; D1103-A1106 VanDerWaalsContact CG-CB 3.48Å; D1103-A1106 PolarHBondContact O-N 2.91Å; D1103-A1106 PolarHBondContact OD1-N 2.85Å; D1103-A1106 WeakPolarHBondContact OD2-CB 3.48Å; A1106-Q1110 PolarHBondContact O-N 3.29Å; A1106-K1111 HydrophobicContact CB-CB 4.33Å; A1106-K1111 WeakPolarHBondContact O-CB 3.09Å; A1106-K1111 PolarHBondContact O-N 3.05Å; A1106-I1112 HydrophobicContact CB-CD1 4.15Å; A1106-I1112 HydrophobicContact CB-CG1 3.87Å
1107	L	97.9	Very high	96.4	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-53.6	173.2	-173.4	60.9	0	0	0	110.9	F902 F944 L951 F978 L1102 D1103 Q1105 A1109 Q1110 I1112	F902-L1107 HydrophobicContact CE2-CG 4.05Å; F902-L1107 HydrophobicContact CZ-CD1 4.15Å; F902-L1107 HydrophobicContact CZ-CG 3.89Å; F902-L1107 VanDerWaalsContact CZ-O 3.28Å; F902-L1107 WeakPolarHBondContact CZ-O 3.39Å; F944-L1107 HydrophobicContact CD2-CD1 3.96Å; F944-L1107 HydrophobicContact CE2-CD1 3.47Å; F944-L1107 VanDerWaalsContact CE2-CD1 3.47Å; F944-L1107 HydrophobicContact CZ-CD1 3.93Å; L951-L1107 HydrophobicContact CD1-CB 4.24Å; L951-L1107 HydrophobicContact CD1-CD2 3.96Å; L951-L1107 HydrophobicContact CD1-CG 4.1Å; F978-L1107 HydrophobicContact CE1-CD1 4.45Å; L1102-L1107 HydrophobicContact CD1-CD2 4.23Å; L1102-L1107 HydrophobicContact CD2-CD2 3.98Å; L1102-L1107 HydrophobicContact CG-CD2 4.38Å; D1103-L1107 WeakPolarHBondContact O-CB 3.42Å; D1103-L1107 PolarHBondContact O-N 3.46Å; Q1105-L1107 VanDerWaalsContact C-N 3.3Å; Q1105-L1107 PolarHBondContact O-N 3.02Å; L1107-A1109 PolarHBondContact O-N 2.92Å; L1107-Q1110 WeakPolarHBondContact O-CA 3.41Å; L1107-Q1110 PolarHBondContact O-N 3.24Å; L1107-I1112 HydrophobicContact CB-CD1 4.03Å; L1107-I1112 HydrophobicContact CD1-CB 4.37Å
1108	L	97.2	Very high	96.1	Very high	59 Å²	59	70.2 Å²	70.2	31%	0.309	34%	0.34	S	S	.	.	H	α-helix	trans	-57.3	-35.2	178.8	-174.4	63.4	0	0	0	112.4	P901 F902 L951 F1104 Q1105 Q1110	P901-L1108 HydrophobicContact CG-CD1 3.92Å; F902-L1108 HydrophobicContact CE2-CD1 4.49Å; L951-L1108 HydrophobicContact CD1-CB 4.04Å; L951-L1108 HydrophobicContact CD1-CD1 4.44Å; F1104-L1108 VanDerWaalsContact O-CB 3.28Å; F1104-L1108 WeakPolarHBondContact O-CB 3.16Å; F1104-L1108 PolarHBondContact O-N 2.87Å; Q1105-L1108 PolarHBondContact O-N 2.81Å; L1108-Q1110 PolarHBondContact O-N 2.66Å
1109	A	97	Very high	95.8	Very high	53 Å²	53	75.5 Å²	75.5	44%	0.438	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	8.4	174.2	0	0	0	0	0	114.4	Q1105 L1107 K1111	Q1105-A1109 VanDerWaalsContact O-CB 3.3Å; Q1105-A1109 WeakPolarHBondContact O-CB 3.35Å; Q1105-A1109 PolarHBondContact O-N 3.32Å; L1107-A1109 PolarHBondContact O-N 2.92Å; A1109-K1111 HydrophobicContact CB-CD 4.1Å; A1109-K1111 HydrophobicContact CB-CG 4.04Å; A1109-K1111 WeakPolarHBondContact O-CG 3.17Å; A1109-K1111 PolarHBondContact O-N 3.46Å; A1109-K1111 VanDerWaalsContact O-N 3.13Å
1110	Q	96.3	Very high	95.4	Very high	73 Å²	73	77.5 Å²	77.5	34%	0.341	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	27.4	-176.9	-64.6	178.7	-71.3	0	0	114.4	P901 F902 F978 A1106 L1107 L1108	P901-Q1110 HydrophobicContact CB-CG 4.18Å; F902-Q1110 HydrophobicContact CE1-CG 4.33Å; F978-Q1110 HydrophobicContact CD1-CG 4.33Å; F978-Q1110 HydrophobicContact CD2-CG 4.34Å; F978-Q1110 HydrophobicContact CE1-CB 4.12Å; F978-Q1110 HydrophobicContact CE1-CG 4.14Å; F978-Q1110 HydrophobicContact CE2-CB 3.92Å; F978-Q1110 HydrophobicContact CE2-CG 4.16Å; F978-Q1110 HydrophobicContact CG-CG 4.44Å; F978-Q1110 HydrophobicContact CZ-CB 3.66Å; F978-Q1110 HydrophobicContact CZ-CG 4.05Å; F978-Q1110 WeakPolarHBondContact CZ-O 3.18Å; A1106-Q1110 PolarHBondContact O-N 3.29Å; L1107-Q1110 WeakPolarHBondContact O-CA 3.41Å; L1107-Q1110 PolarHBondContact O-N 3.24Å; L1108-Q1110 PolarHBondContact O-N 2.66Å
1111	K	96.8	Very high	95.1	Very high	170 Å²	170	73.9 Å²	73.9	74%	0.739	39%	0.388	S	S	*	.			trans	-87.1	-9.3	-179.9	-64.2	-179.7	-179	175.9	0	113.9	A1106 A1109	A1106-K1111 HydrophobicContact CB-CB 4.33Å; A1106-K1111 WeakPolarHBondContact O-CB 3.09Å; A1106-K1111 PolarHBondContact O-N 3.05Å; A1109-K1111 HydrophobicContact CB-CD 4.1Å; A1109-K1111 HydrophobicContact CB-CG 4.04Å; A1109-K1111 WeakPolarHBondContact O-CG 3.17Å; A1109-K1111 PolarHBondContact O-N 3.46Å; A1109-K1111 VanDerWaalsContact O-N 3.13Å
1112	I	96	Very high	94.9	Very high	46 Å²	46	65.4 Å²	65.4	24%	0.236	36%	0.359	C	S	.	.	S	Bend	trans	-93.4	117.7	174.9	-57.2	-174.9	0	0	0	108.7	F944 F978 L1102 D1103 A1106 L1107 P1114	F944-I1112 HydrophobicContact CD2-CG2 3.99Å; F944-I1112 HydrophobicContact CE2-CB 4.14Å; F944-I1112 HydrophobicContact CE2-CG2 3.78Å; F978-I1112 WeakPolarHBondContact CE1-O 3.22Å; F978-I1112 WeakPolarHBondContact CZ-O 3.1Å; L1102-I1112 HydrophobicContact CD1-CD1 3.87Å; D1103-I1112 HydrophobicContact CB-CD1 4.5Å; D1103-I1112 WeakPolarHBondContact O-CD1 3.46Å; A1106-I1112 HydrophobicContact CB-CD1 4.15Å; A1106-I1112 HydrophobicContact CB-CG1 3.87Å; L1107-I1112 HydrophobicContact CB-CD1 4.03Å; L1107-I1112 HydrophobicContact CD1-CB 4.37Å; I1112-P1114 WeakPolarHBondContact O-CD 3.37Å
1113	K	95.5	Very high	94.5	Very high	177 Å²	177	67.6 Å²	67.6	77%	0.77	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-57.6	126	177.2	-179.6	174.7	-179.9	175.5	0	111
1114	P	95.6	Very high	94.1	Very high	13 Å²	13	66.8 Å²	66.8	8%	0.084	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-58.7	144.8	175.5	-28.9	38.2	0	0	0	113.5	F944 E976 G977 F978 I1112 F1116	F944-P1114 HydrophobicContact CE1-CB 4.04Å; F944-P1114 HydrophobicContact CE1-CG 4.37Å; F944-P1114 HydrophobicContact CZ-CB 3.92Å; F944-P1114 HydrophobicContact CZ-CG 3.87Å; E976-P1114 WeakPolarHBondContact O-CG 3.37Å; G977-P1114 WeakPolarHBondContact O-CB 3.2Å; F978-P1114 HydrophobicContact CD1-CG 4Å; F978-P1114 HydrophobicContact CD2-CG 3.82Å; F978-P1114 HydrophobicContact CE1-CG 3.87Å; F978-P1114 HydrophobicContact CE2-CG 3.68Å; F978-P1114 HydrophobicContact CG-CG 3.98Å; F978-P1114 HydrophobicContact CZ-CG 3.7Å; I1112-P1114 WeakPolarHBondContact O-CD 3.37Å; P1114-F1116 VanDerWaalsContact C-N 3.3Å; P1114-F1116 PolarHBondContact O-N 3.06Å
1115	P	94.3	Very high	93.8	Very high	55 Å²	55	66.7 Å²	66.7	36%	0.357	37%	0.368	S	S	.	.	S	Bend	trans	-81	-10.6	-174.9	35.1	-38.3	0	0	0	113.4	Q941 F944 Y945	Q941-P1115 HydrophobicContact CB-CG 4.28Å; Q941-P1115 HydrophobicContact CG-CB 3.68Å; Q941-P1115 HydrophobicContact CG-CG 3.83Å; F944-P1115 HydrophobicContact CB-CG 4.14Å; F944-P1115 HydrophobicContact CD1-CG 3.93Å; F944-P1115 HydrophobicContact CG-CG 4.08Å; Y945-P1115 HydrophobicContact CE2-CG 4.32Å
1116	F	92.5	Very high	93.5	Very high	62 Å²	62	61.5 Å²	61.5	27%	0.272	35%	0.345	S	S	.	.			trans	-143.5	134.2	168.1	164.7	-94	0	0	0	107.4	L931 L973 G977 P1114 P1118	L931-F1116 HydrophobicContact CD1-CD1 4.12Å; L931-F1116 HydrophobicContact CD1-CD2 4.3Å; L931-F1116 HydrophobicContact CD1-CE1 3.7Å; L931-F1116 HydrophobicContact CD1-CE2 3.9Å; L931-F1116 HydrophobicContact CD1-CG 4.4Å; L931-F1116 HydrophobicContact CD1-CZ 3.57Å; L931-F1116 HydrophobicContact CD2-CB 4.45Å; L931-F1116 HydrophobicContact CD2-CD1 3.45Å; L931-F1116 VanDerWaalsContact CD2-CD1 3.45Å; L931-F1116 HydrophobicContact CD2-CE1 3.73Å; L931-F1116 HydrophobicContact CD2-CG 3.93Å; L931-F1116 HydrophobicContact CD2-CZ 4.41Å; L931-F1116 HydrophobicContact CG-CD1 4.46Å; L931-F1116 HydrophobicContact CG-CE1 4.37Å; L973-F1116 HydrophobicContact CD1-CD1 3.98Å; L973-F1116 HydrophobicContact CD1-CE1 4.02Å; G977-F1116 WeakPolarHBondContact CA-O 3.38Å; P1114-F1116 VanDerWaalsContact C-N 3.3Å; P1114-F1116 PolarHBondContact O-N 3.06Å; F1116-P1118 HydrophobicContact CE1-CB 4.05Å; F1116-P1118 HydrophobicContact CZ-CB 4.39Å
1117	V	93.5	Very high	93.2	Very high	71 Å²	71	64.5 Å²	64.5	43%	0.43	37%	0.365	S	S	.	.			trans	-113.9	124.9	174.5	-174.8	0	0	0	0	106.1	E976	E976-V1117 WeakPolarHBondContact O-CG2 3.48Å
1118	P	91.7	Very high	92.9	Very high	9 Å²	9	65.7 Å²	65.7	6%	0.058	37%	0.371	C	S	.	.			trans	-65.8	146.3	-179.2	27.7	-34.1	0	0	0	111	D974 F1116 V1120	D974-P1118 VanDerWaalsContact O-CG 3.26Å; D974-P1118 WeakPolarHBondContact O-CG 3.44Å; F1116-P1118 HydrophobicContact CE1-CB 4.05Å; F1116-P1118 HydrophobicContact CZ-CB 4.39Å; P1118-V1120 HydrophobicContact CB-CG2 4.39Å; P1118-V1120 HydrophobicContact CG-CG2 4.37Å; P1118-V1120 PolarHBondContact O-N 2.97Å
1119	V	91.8	Very high	92.5	Very high	119 Å²	119	64 Å²	64	72%	0.721	36%	0.362	S	S	*	.			trans	-78.4	122.6	170.5	-177.6	0	0	0	0	107.1	N1128	V1119-N1128 PolarHBondContact O-ND2 3.09Å
1120	V	90	Very high	92.1	Very high	44 Å²	44	65.4 Å²	65.4	27%	0.267	36%	0.362	S	S	.	.			trans	-131.8	117	178.4	-178.2	0	0	0	0	107.7	Q924 P1118 G1122 D1125	Q924-V1120 HydrophobicContact CB-CG1 4.42Å; Q924-V1120 HydrophobicContact CB-CG2 4.09Å; P1118-V1120 HydrophobicContact CB-CG2 4.39Å; P1118-V1120 HydrophobicContact CG-CG2 4.37Å; P1118-V1120 PolarHBondContact O-N 2.97Å; V1120-G1122 VanDerWaalsContact CG1-O 3.29Å; V1120-G1122 WeakPolarHBondContact CG1-O 3.02Å; V1120-D1125 HydrophobicContact CG1-CB 4.1Å
1121	S	89.5	Confident	91.7	Very high	107 Å²	107	67.1 Å²	67.1	75%	0.748	37%	0.37	S	S	*	.	S	Bend	trans	-82.8	-17.9	-178.2	61.2	0	0	0	0	113.8	D1125	S1121-D1125 WeakPolarHBondContact CB-OD2 3.36Å; S1121-D1125 PolarHBondContact N-OD2 3.02Å; S1121-D1125 PolarHBondContact OG-OD2 2.69Å
1122	G	89.4	Confident	91.3	Very high	25 Å²	25	66.3 Å²	66.3	26%	0.258	37%	0.369	S	S	.	.	S	Bend	trans	176.6	176.6	177.4	0	0	0	0	0	112.2	V1120 E1124 D1125	V1120-G1122 VanDerWaalsContact CG1-O 3.29Å; V1120-G1122 WeakPolarHBondContact CG1-O 3.02Å; G1122-E1124 VanDerWaalsContact C-N 3.28Å; G1122-E1124 PolarHBondContact O-N 2.94Å; G1122-D1125 WeakPolarHBondContact O-CB 3.17Å; G1122-D1125 PolarHBondContact O-N 2.9Å
1123	P	88.2	Confident	91	Very high	66 Å²	66	66.7 Å²	66.7	43%	0.429	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.5	-174.5	31.4	-37.5	0	0	0	114.2	Y865	Y865-P1123 HydrophobicContact CD2-CB 3.66Å; Y865-P1123 HydrophobicContact CD2-CG 4.33Å; Y865-P1123 HydrophobicContact CE2-CB 3.6Å; Y865-P1123 HydrophobicContact CE2-CG 3.75Å; Y865-P1123 HydrophobicContact CG-CB 4.37Å
1124	E	91	Very high	90.8	Very high	73 Å²	73	59.7 Å²	59.7	34%	0.341	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	3.8	169.3	-70.9	-172.4	-150	0	0	112.9	R841 V843 Y865 G1122 V1126	R841-E1124 IonicContact CZ-OE1 2.79Å; R841-E1124 VanDerWaalsContact CZ-OE1 3.22Å; R841-E1124 IonicContact CZ-OE2 2.8Å; R841-E1124 IonicContact NH1-OE1 3.84Å; R841-E1124 PolarHBondContact NH1-OE1 2.94Å; R841-E1124 VanDerWaalsContact NH2-CD 3.28Å; R841-E1124 IonicContact NH2-OE1 3.8Å; R841-E1124 PolarHBondContact NH2-OE1 3.22Å; R841-E1124 IonicContact NH2-OE2 2.68Å; R841-E1124 PolarHBondContact NH2-OE2 3.12Å; V843-E1124 HydrophobicContact CG1-CB 4.23Å; V843-E1124 HydrophobicContact CG1-CG 4Å; V843-E1124 WeakPolarHBondContact CG1-OE2 3.49Å; V843-E1124 HydrophobicContact CG2-CG 4.37Å; Y865-E1124 HydrophobicContact CD1-CG 4.34Å; Y865-E1124 HydrophobicContact CE1-CG 3.38Å; Y865-E1124 WeakPolarHBondContact OH-CG 3.43Å; Y865-E1124 PolarHBondContact OH-OE1 2.88Å; G1122-E1124 VanDerWaalsContact C-N 3.28Å; G1122-E1124 PolarHBondContact O-N 2.94Å; E1124-V1126 PolarHBondContact O-N 3.26Å
1125	D	90.8	Very high	90.5	Very high	20 Å²	20	67.9 Å²	67.9	11%	0.107	37%	0.37	C	S	.	.			trans	-67.4	129.6	177.9	-165.6	-12.7	0	0	0	110.5	Y922 V1120 S1121 G1122 S1127	Y922-D1125 PolarHBondContact OH-O 2.6Å; V1120-D1125 HydrophobicContact CG1-CB 4.1Å; S1121-D1125 WeakPolarHBondContact CB-OD2 3.36Å; S1121-D1125 PolarHBondContact N-OD2 3.02Å; S1121-D1125 PolarHBondContact OG-OD2 2.69Å; G1122-D1125 WeakPolarHBondContact O-CB 3.17Å; G1122-D1125 PolarHBondContact O-N 2.9Å; D1125-S1127 WeakPolarHBondContact OD1-CB 3.39Å; D1125-S1127 PolarHBondContact OD1-N 3.15Å; D1125-S1127 PolarHBondContact OD1-OG 3.41Å; D1125-S1127 PolarHBondContact OD2-OG 3.24Å
1126	V	91.4	Very high	90.2	Very high	28 Å²	28	68.6 Å²	68.6	17%	0.17	37%	0.369	C	S	.	.			trans	-128.1	15.4	178.2	-63.3	0	0	0	0	112.1	A844 L846 L856 E1124 N1128 F1129 T1134	A844-V1126 HydrophobicContact CB-CG1 3.94Å; A844-V1126 HydrophobicContact CB-CG2 4.47Å; L846-V1126 HydrophobicContact CD2-CB 4.49Å; L846-V1126 HydrophobicContact CD2-CG1 3.76Å; L856-V1126 HydrophobicContact CD2-CG1 3.6Å; E1124-V1126 PolarHBondContact O-N 3.26Å; V1126-N1128 PolarHBondContact O-N 2.96Å; V1126-F1129 HydrophobicContact CB-CD2 4.2Å; V1126-F1129 WeakPolarHBondContact O-CB 3.48Å; V1126-F1129 PolarHBondContact O-N 3.39Å; V1126-T1134 HydrophobicContact CB-CG2 3.72Å; V1126-T1134 HydrophobicContact CG2-CG2 3.69Å
1127	S	91.2	Very high	90	Very high	84 Å²	84	73.8 Å²	73.8	59%	0.587	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.8	-179.9	60.1	0	0	0	0	114.5	D1125 F1129	D1125-S1127 WeakPolarHBondContact OD1-CB 3.39Å; D1125-S1127 PolarHBondContact OD1-N 3.15Å; D1125-S1127 PolarHBondContact OD1-OG 3.41Å; D1125-S1127 PolarHBondContact OD2-OG 3.24Å; S1127-F1129 VanDerWaalsContact C-N 3.34Å
1128	N	90.7	Very high	89.8	Confident	25 Å²	25	71 Å²	71	13%	0.134	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1.8	172.1	-60.9	-53.6	0	0	0	113.6	Q924 G926 V1119 V1126	Q924-N1128 PolarHBondContact O-ND2 3.25Å; G926-N1128 WeakPolarHBondContact CA-O 3.4Å; V1119-N1128 PolarHBondContact O-ND2 3.09Å; V1126-N1128 PolarHBondContact O-N 2.96Å
1129	F	90.4	Very high	89.6	Confident	25 Å²	25	74.1 Å²	74.1	11%	0.11	39%	0.394	C	S	.	.	S	Bend	trans	-111.9	157.9	178.2	-63.1	-95.5	0	0	0	111.4	L846 Y922 A923 V1126 S1127 E1131 T1134	L846-F1129 HydrophobicContact CB-CD1 4.06Å; L846-F1129 HydrophobicContact CB-CE1 4.14Å; L846-F1129 HydrophobicContact CD1-CE1 4.42Å; L846-F1129 HydrophobicContact CD1-CZ 4.47Å; L846-F1129 HydrophobicContact CD2-CD1 3.95Å; L846-F1129 HydrophobicContact CD2-CD2 3.9Å; L846-F1129 HydrophobicContact CD2-CE1 3.97Å; L846-F1129 HydrophobicContact CD2-CE2 3.93Å; L846-F1129 HydrophobicContact CD2-CG 3.92Å; L846-F1129 HydrophobicContact CD2-CZ 3.95Å; L846-F1129 HydrophobicContact CG-CE1 4.4Å; Y922-F1129 AromaticContact CE2-CE2 3.79Å; Y922-F1129 HydrophobicContact CE2-CE2 3.79Å; Y922-F1129 AromaticContact CE2-CZ 3.6Å; Y922-F1129 HydrophobicContact CE2-CZ 3.6Å; Y922-F1129 AromaticContact CZ-CE2 3.98Å; Y922-F1129 VanDerWaalsContact OH-CE2 3.3Å; Y922-F1129 WeakPolarHBondContact OH-CE2 3.44Å; A923-F1129 WeakPolarHBondContact O-CZ 3.48Å; V1126-F1129 HydrophobicContact CB-CD2 4.2Å; V1126-F1129 WeakPolarHBondContact O-CB 3.48Å; V1126-F1129 PolarHBondContact O-N 3.39Å; S1127-F1129 VanDerWaalsContact C-N 3.34Å; F1129-E1131 PolarHBondContact O-N 3.32Å; F1129-T1134 HydrophobicContact CB-CG2 3.78Å
1130	D	88.1	Confident	89.2	Confident	82 Å²	82	70.3 Å²	70.3	44%	0.439	37%	0.37	S	S	.	.			trans	-59.2	128	-179.4	-167.6	-27.8	0	0	0	112	E1132 F1133 T1134	D1130-E1132 PolarHBondContact O-N 3.33Å; D1130-E1132 WeakPolarHBondContact OD1-CB 3.37Å; D1130-E1132 PolarHBondContact OD1-N 3.49Å; D1130-F1133 HydrophobicContact CB-CD2 3.74Å; D1130-F1133 HydrophobicContact CB-CE2 3.95Å; D1130-F1133 PolarHBondContact O-N 2.93Å; D1130-F1133 VanDerWaalsContact O-N 3.09Å; D1130-T1134 PolarHBondContact O-N 3.06Å; D1130-T1134 VanDerWaalsContact O-N 3.11Å; D1130-T1134 PolarHBondContact O-OG1 3.24Å
1131	E	88.1	Confident	88.6	Confident	109 Å²	109	70.4 Å²	70.4	51%	0.509	37%	0.37	S	S	.	.	H	α-helix	trans	-64.9	-22.6	-179.7	-132.9	-163.2	162.3	0	0	113.1	F1129 F1133 T1134 R1135	F1129-E1131 PolarHBondContact O-N 3.32Å; E1131-F1133 VanDerWaalsContact C-N 3.28Å; E1131-F1133 PolarHBondContact O-N 2.82Å; E1131-T1134 WeakPolarHBondContact CA-OG1 3.36Å; E1131-R1135 HydrophobicContact CG-CG 4.24Å; E1131-R1135 VanDerWaalsContact O-CB 3.31Å; E1131-R1135 WeakPolarHBondContact O-CB 3.27Å; E1131-R1135 VanDerWaalsContact O-CD 3.31Å; E1131-R1135 WeakPolarHBondContact O-CD 3.24Å; E1131-R1135 WeakPolarHBondContact O-CG 3.28Å; E1131-R1135 PolarHBondContact O-N 3.21Å; E1131-R1135 IonicContact OE1-CZ 2.91Å; E1131-R1135 IonicContact OE1-NE 3.32Å; E1131-R1135 PolarHBondContact OE1-NE 3.13Å; E1131-R1135 IonicContact OE1-NH2 3.73Å; E1131-R1135 PolarHBondContact OE1-NH2 3.46Å; E1131-R1135 IonicContact OE2-CZ 3.91Å; E1131-R1135 VanDerWaalsContact OE2-CZ 3.24Å; E1131-R1135 IonicContact OE2-NE 2.93Å; E1131-R1135 IonicContact OE2-NH1 3.76Å; E1131-R1135 IonicContact OE2-NH2 2.71Å; E1131-R1135 PolarHBondContact OE2-NH2 2.82Å
1132	E	87.9	Confident	87.7	Confident	153 Å²	153	68.6 Å²	68.6	72%	0.715	36%	0.356	S	S	*	.	H	α-helix	trans	-62.1	-37.2	172.2	-174.6	173.9	153.9	0	0	111.3	D1130	D1130-E1132 PolarHBondContact O-N 3.33Å; D1130-E1132 WeakPolarHBondContact OD1-CB 3.37Å; D1130-E1132 PolarHBondContact OD1-N 3.49Å
1133	F	89.6	Confident	86.6	Confident	54 Å²	54	68.7 Å²	68.7	24%	0.237	35%	0.351	C	S	.	.	H	α-helix	trans	-85.6	-47.1	179.7	-53	-45.3	0	0	0	112	V845 R848 D1130 E1131 R1135 E1136	V845-F1133 WeakPolarHBondContact CB-O 3.3Å; V845-F1133 HydrophobicContact CG1-CB 4.42Å; V845-F1133 CarbonylContact O-C 3.46Å; V845-F1133 VanDerWaalsContact O-C 3.29Å; R848-F1133 HydrophobicContact CB-CD1 4.18Å; R848-F1133 HydrophobicContact CB-CE1 4.03Å; D1130-F1133 HydrophobicContact CB-CD2 3.74Å; D1130-F1133 HydrophobicContact CB-CE2 3.95Å; D1130-F1133 PolarHBondContact O-N 2.93Å; D1130-F1133 VanDerWaalsContact O-N 3.09Å; E1131-F1133 VanDerWaalsContact C-N 3.28Å; E1131-F1133 PolarHBondContact O-N 2.82Å; F1133-R1135 PolarHBondContact O-N 2.79Å; F1133-E1136 VanDerWaalsContact O-CB 3.28Å; F1133-E1136 WeakPolarHBondContact O-CB 3.41Å; F1133-E1136 PolarHBondContact O-N 2.88Å
1134	T	90.6	Very high	85.2	Confident	30 Å²	30	74.4 Å²	74.4	18%	0.184	37%	0.369	C	S	.	.	H	α-helix	trans	-66.4	-24.4	-173.2	59.4	0	0	0	0	113.2	V845 V1126 F1129 D1130 E1131 E1136	V845-T1134 WeakPolarHBondContact O-CA 3.48Å; V845-T1134 PolarHBondContact O-N 3.19Å; V1126-T1134 HydrophobicContact CB-CG2 3.72Å; V1126-T1134 HydrophobicContact CG2-CG2 3.69Å; F1129-T1134 HydrophobicContact CB-CG2 3.78Å; D1130-T1134 PolarHBondContact O-N 3.06Å; D1130-T1134 VanDerWaalsContact O-N 3.11Å; D1130-T1134 PolarHBondContact O-OG1 3.24Å; E1131-T1134 WeakPolarHBondContact CA-OG1 3.36Å; T1134-E1136 VanDerWaalsContact C-N 3.35Å
1135	R	89.6	Confident	83.6	Confident	184 Å²	184	76 Å²	76	69%	0.694	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.3	169.7	-69.3	173.7	173.3	179.7	2.3	114.2	E1131 F1133	E1131-R1135 HydrophobicContact CG-CG 4.24Å; E1131-R1135 VanDerWaalsContact O-CB 3.31Å; E1131-R1135 WeakPolarHBondContact O-CB 3.27Å; E1131-R1135 VanDerWaalsContact O-CD 3.31Å; E1131-R1135 WeakPolarHBondContact O-CD 3.24Å; E1131-R1135 WeakPolarHBondContact O-CG 3.28Å; E1131-R1135 PolarHBondContact O-N 3.21Å; E1131-R1135 IonicContact OE1-CZ 2.91Å; E1131-R1135 IonicContact OE1-NE 3.32Å; E1131-R1135 PolarHBondContact OE1-NE 3.13Å; E1131-R1135 IonicContact OE1-NH2 3.73Å; E1131-R1135 PolarHBondContact OE1-NH2 3.46Å; E1131-R1135 IonicContact OE2-CZ 3.91Å; E1131-R1135 VanDerWaalsContact OE2-CZ 3.24Å; E1131-R1135 IonicContact OE2-NE 2.93Å; E1131-R1135 IonicContact OE2-NH1 3.76Å; E1131-R1135 IonicContact OE2-NH2 2.71Å; E1131-R1135 PolarHBondContact OE2-NH2 2.82Å; F1133-R1135 PolarHBondContact O-N 2.79Å
1136	E	89.4	Confident	82.3	Confident	71 Å²	71	78.8 Å²	78.8	33%	0.332	39%	0.386	S	S	.	.	S	Bend	trans	-72.9	138.3	176.4	-161.2	-169.7	179.4	0	0	110.5	V845 K853 F1133 T1134 A1138	V845-E1136 HydrophobicContact CB-CB 4.48Å; V845-E1136 HydrophobicContact CG2-CB 4.1Å; K853-E1136 WeakPolarHBondContact CE-OE1 3.49Å; K853-E1136 WeakPolarHBondContact CE-OE2 3.44Å; K853-E1136 IonicContact NZ-OE1 3.83Å; K853-E1136 PolarHBondContact NZ-OE1 3.43Å; K853-E1136 IonicContact NZ-OE2 3.31Å; K853-E1136 PolarHBondContact NZ-OE2 2.98Å; F1133-E1136 VanDerWaalsContact O-CB 3.28Å; F1133-E1136 WeakPolarHBondContact O-CB 3.41Å; F1133-E1136 PolarHBondContact O-N 2.88Å; T1134-E1136 VanDerWaalsContact C-N 3.35Å; E1136-A1138 PolarHBondContact O-N 3.05Å; E1136-A1138 VanDerWaalsContact O-N 3.13Å
1137	K	88	Confident	81.1	Confident	171 Å²	171	82.2 Å²	82.2	74%	0.743	41%	0.409	S	S	*	.			trans	-57.9	121.5	176.5	-163	-173.2	179.2	174.2	0	110.6	V1139	K1137-V1139 HydrophobicContact CD-CG2 3.89Å; K1137-V1139 HydrophobicContact CG-CG2 3.93Å; K1137-V1139 PolarHBondContact O-N 3.28Å
1138	A	89.5	Confident	80.3	Confident	12 Å²	12	84.2 Å²	84.2	10%	0.099	42%	0.42	C	S	.	.			trans	-68.3	70.9	179.8	0	0	0	0	0	112.9	T842 V843 V845 E1136	T842-A1138 PolarHBondContact OG1-O 3.03Å; T842-A1138 VanDerWaalsContact OG1-O 3.09Å; V843-A1138 WeakPolarHBondContact O-CB 3.15Å; V845-A1138 HydrophobicContact CG2-CB 4.48Å; E1136-A1138 PolarHBondContact O-N 3.05Å; E1136-A1138 VanDerWaalsContact O-N 3.13Å
1139	V	86.7	Confident	79.8	Confident	74 Å²	74	84.6 Å²	84.6	45%	0.448	42%	0.422	S	S	.	.			trans	-133.3	140.5	179.7	178.5	0	0	0	0	109.2	K1137 T1141	K1137-V1139 HydrophobicContact CD-CG2 3.89Å; K1137-V1139 HydrophobicContact CG-CG2 3.93Å; K1137-V1139 PolarHBondContact O-N 3.28Å; V1139-T1141 PolarHBondContact O-N 3.04Å
1140	L	83.1	Confident	79.6	Confident	40 Å²	40	89.1 Å²	89.1	21%	0.209	45%	0.446	C	S	.	.			trans	-53.8	133.7	172.6	-67.8	-178.7	0	0	0	111.1	M837 L855 S870 M917 P1142	M837-L1140 HydrophobicContact CE-CD1 4.35Å; M837-L1140 HydrophobicContact CE-CD2 4.36Å; M837-L1140 HydrophobicContact CE-CG 4.34Å; M837-L1140 HydrophobicContact CG-CD1 3.94Å; M837-L1140 HydrophobicContact SD-CD1 4.39Å; L855-L1140 HydrophobicContact CD1-CD2 3.86Å; S870-L1140 VanDerWaalsContact OG-CD2 3.31Å; S870-L1140 WeakPolarHBondContact OG-CD2 3.45Å; M917-L1140 HydrophobicContact CE-CD1 3.54Å; M917-L1140 HydrophobicContact CE-CD2 3.59Å; M917-L1140 HydrophobicContact CE-CG 4.24Å; M917-L1140 HydrophobicContact SD-CD2 4.37Å; L1140-P1142 VanDerWaalsContact O-CD 3.27Å; L1140-P1142 WeakPolarHBondContact O-CD 3.37Å
1141	T	77.5	Confident	79.4	Confident	45 Å²	45	92.2 Å²	92.2	28%	0.276	46%	0.463	S	S	.	.			trans	-77.8	113.8	179	-52.7	0	0	0	0	109.5	K853 K872 H915 V1139	K853-T1141 WeakPolarHBondContact CE-OG1 3.41Å; K872-T1141 WeakPolarHBondContact CE-O 3.37Å; K872-T1141 VanDerWaalsContact NZ-CG2 3.35Å; H915-T1141 PolarHBondContact NE2-O 3.23Å; V1139-T1141 PolarHBondContact O-N 3.04Å
1142	P	71.7	Confident	79.2	Confident	69 Å²	69	90.5 Å²	90.5	45%	0.448	47%	0.467	S	S	.	.			trans	-69.5	147.9	-173.6	30.6	-37	0	0	0	111.5	L1140 K1144	L1140-P1142 VanDerWaalsContact O-CD 3.27Å; L1140-P1142 WeakPolarHBondContact O-CD 3.37Å; P1142-K1144 HydrophobicContact CB-CG 4.19Å; P1142-K1144 HydrophobicContact CG-CD 4.44Å; P1142-K1144 HydrophobicContact CG-CG 4.35Å; P1142-K1144 PolarHBondContact O-N 3.16Å
1143	T	66	Low	79.2	Confident	27 Å²	27	85.3 Å²	85.3	17%	0.166	44%	0.444	C	S	.	.			trans	-85.4	37	-174.2	64.9	0	0	0	0	114.3	K872 E914 Q1145 R1146	K872-T1143 HydrophobicContact CB-CG2 4.1Å; K872-T1143 HydrophobicContact CD-CG2 4.16Å; K872-T1143 HydrophobicContact CG-CG2 3.93Å; E914-T1143 HydrophobicContact CB-CG2 3.85Å; E914-T1143 HydrophobicContact CG-CG2 4.26Å; E914-T1143 VanDerWaalsContact CG-OG1 3.3Å; E914-T1143 WeakPolarHBondContact CG-OG1 3.43Å; E914-T1143 PolarHBondContact OE2-N 3.35Å; E914-T1143 PolarHBondContact OE2-OG1 3.32Å; E914-T1143 VanDerWaalsContact OE2-OG1 3.04Å; T1143-Q1145 PolarHBondContact O-N 2.75Å; T1143-R1146 PolarHBondContact O-N 2.88Å
1144	K	58.3	Low	79	Confident	186 Å²	186	84.7 Å²	84.7	81%	0.809	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-0.3	-174.3	-65.2	-173.6	177.4	-175	0	116.5	P1142	P1142-K1144 HydrophobicContact CB-CG 4.19Å; P1142-K1144 HydrophobicContact CG-CD 4.44Å; P1142-K1144 HydrophobicContact CG-CG 4.35Å; P1142-K1144 PolarHBondContact O-N 3.16Å
1145	Q	57.7	Low	79	Confident	106 Å²	106	89 Å²	89	50%	0.495	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-4.2	-173.5	-67.7	-177.3	-12.4	0	0	114.5	T1143	T1143-Q1145 PolarHBondContact O-N 2.75Å
1146	R	62.7	Low	78.9	Confident	79 Å²	79	83.9 Å²	83.9	30%	0.298	45%	0.45	S	S	.	.	S	Bend	trans	-134.2	159.8	173.6	-72.8	-156.2	-175.5	99.1	15.7	111.1	A874 E875 F878 T1143	A874-R1146 PolarHBondContact O-NH1 3.32Å; E875-R1146 IonicContact OE2-CZ 3.44Å; E875-R1146 IonicContact OE2-NH1 3Å; E875-R1146 PolarHBondContact OE2-NH1 3.31Å; E875-R1146 IonicContact OE2-NH2 3.86Å; E875-R1146 PolarHBondContact OE2-NH2 3.39Å; F878-R1146 VanDerWaalsContact CG-CZ 3.44Å; T1143-R1146 PolarHBondContact O-N 2.88Å
1147	P	67.4	Low	78.9	Confident	101 Å²	101	80.5 Å²	80.5	66%	0.656	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-53.6	151.2	167.9	-24.2	34.7	0	0	0	111.5
1148	P	72.8	Confident	78.8	Confident	125 Å²	125	75.6 Å²	75.6	81%	0.812	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-54.1	142.9	166.5	-22.8	33.9	0	0	0	110.7
1149	L	81.4	Confident	78.6	Confident	34 Å²	34	81.3 Å²	81.3	18%	0.178	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-66.4	141.7	176.7	-67.3	180	0	0	0	111.2	K873 A874 I877 D1153 Q1154 F1157	K873-L1149 HydrophobicContact CB-CD1 3.45Å; K873-L1149 VanDerWaalsContact CB-CD1 3.45Å; K873-L1149 HydrophobicContact CD-CD1 4.28Å; A874-L1149 HydrophobicContact CB-CD2 4Å; A874-L1149 HydrophobicContact CB-CG 4.31Å; I877-L1149 HydrophobicContact CD1-CD1 3.76Å; I877-L1149 HydrophobicContact CD1-CD2 3.69Å; I877-L1149 HydrophobicContact CD1-CG 4.34Å; L1149-D1153 HydrophobicContact CB-CB 3.92Å; L1149-D1153 HydrophobicContact CD2-CB 4.07Å; L1149-D1153 HydrophobicContact CG-CB 4.43Å; L1149-Q1154 HydrophobicContact CB-CG 4.38Å; L1149-F1157 HydrophobicContact CD1-CE2 4.5Å
1150	L	85.6	Confident	78.8	Confident	120 Å²	120	77.8 Å²	77.8	63%	0.628	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-70.8	160.3	173.3	-60.3	171.6	0	0	0	110.3	A1152 D1153 Q1154	L1150-A1152 PolarHBondContact O-N 3.18Å; L1150-D1153 HydrophobicContact CB-CB 4.49Å; L1150-D1153 WeakPolarHBondContact CB-OD2 3.29Å; L1150-D1153 PolarHBondContact N-OD2 3.44Å; L1150-D1153 WeakPolarHBondContact O-CA 3.47Å; L1150-D1153 VanDerWaalsContact O-CB 3.29Å; L1150-D1153 WeakPolarHBondContact O-CB 3.43Å; L1150-D1153 PolarHBondContact O-N 3.29Å; L1150-Q1154 WeakPolarHBondContact O-CG 3.46Å; L1150-Q1154 PolarHBondContact O-N 2.86Å
1151	D	84.4	Confident	79.1	Confident	146 Å²	146	79.1 Å²	79.1	78%	0.781	44%	0.436	S	S	*	.	H	α-helix	trans	-61.7	-32.1	177.1	-63.1	-43.7	0	0	0	112.1	D1153 Q1154 L1155	D1151-D1153 VanDerWaalsContact C-N 3.34Å; D1151-Q1154 PolarHBondContact O-N 2.84Å; D1151-L1155 PolarHBondContact O-N 2.81Å; D1151-L1155 VanDerWaalsContact O-N 3.1Å
1152	A	83.4	Confident	79.7	Confident	73 Å²	73	79.4 Å²	79.4	60%	0.603	43%	0.433	S	S	*	.	H	α-helix	trans	-63.5	-37	170.9	0	0	0	0	0	112.7	L1150 L1155	L1150-A1152 PolarHBondContact O-N 3.18Å; A1152-L1155 WeakPolarHBondContact O-CB 2.95Å; A1152-L1155 PolarHBondContact O-N 2.8Å
1153	D	87.1	Confident	80.3	Confident	44 Å²	44	80.9 Å²	80.9	24%	0.235	43%	0.43	C	S	.	.	H	α-helix	trans	-69.2	-37.8	175.2	-67.9	-41	0	0	0	111.4	I877 L1149 L1150 D1151 L1155 N1156	I877-D1153 HydrophobicContact CD1-CB 3.79Å; L1149-D1153 HydrophobicContact CB-CB 3.92Å; L1149-D1153 HydrophobicContact CD2-CB 4.07Å; L1149-D1153 HydrophobicContact CG-CB 4.43Å; L1150-D1153 HydrophobicContact CB-CB 4.49Å; L1150-D1153 WeakPolarHBondContact CB-OD2 3.29Å; L1150-D1153 PolarHBondContact N-OD2 3.44Å; L1150-D1153 WeakPolarHBondContact O-CA 3.47Å; L1150-D1153 VanDerWaalsContact O-CB 3.29Å; L1150-D1153 WeakPolarHBondContact O-CB 3.43Å; L1150-D1153 PolarHBondContact O-N 3.29Å; D1151-D1153 VanDerWaalsContact C-N 3.34Å; D1153-L1155 VanDerWaalsContact C-N 3.3Å; D1153-L1155 PolarHBondContact O-N 3.4Å; D1153-N1156 WeakPolarHBondContact O-CB 3.37Å; D1153-N1156 PolarHBondContact O-N 3.3Å; D1153-N1156 PolarHBondContact O-ND2 3.02Å
1154	Q	87.3	Confident	81	Confident	42 Å²	42	79.6 Å²	79.6	20%	0.196	42%	0.422	C	S	.	.	H	α-helix	trans	-65.5	-33.3	177.1	-64.8	-72.1	-2.2	0	0	112.2	K913 L1149 L1150 D1151 N1156 F1157	K913-Q1154 PolarHBondContact O-NE2 2.85Å; L1149-Q1154 HydrophobicContact CB-CG 4.38Å; L1150-Q1154 WeakPolarHBondContact O-CG 3.46Å; L1150-Q1154 PolarHBondContact O-N 2.86Å; D1151-Q1154 PolarHBondContact O-N 2.84Å; Q1154-N1156 PolarHBondContact O-N 2.93Å; Q1154-N1156 VanDerWaalsContact O-N 3.17Å; Q1154-F1157 PolarHBondContact O-N 3.25Å
1155	L	89.2	Confident	81.7	Confident	121 Å²	121	79 Å²	79	63%	0.634	42%	0.422	S	S	*	.	H	α-helix	trans	-58.9	-28.6	-179.1	-166.9	66.8	0	0	0	112.8	D1151 A1152 D1153 F1157 S1158	D1151-L1155 PolarHBondContact O-N 2.81Å; D1151-L1155 VanDerWaalsContact O-N 3.1Å; A1152-L1155 WeakPolarHBondContact O-CB 2.95Å; A1152-L1155 PolarHBondContact O-N 2.8Å; D1153-L1155 VanDerWaalsContact C-N 3.3Å; D1153-L1155 PolarHBondContact O-N 3.4Å; L1155-F1157 PolarHBondContact O-N 3.49Å; L1155-F1157 VanDerWaalsContact O-N 3.14Å; L1155-S1158 VanDerWaalsContact O-CB 3.26Å; L1155-S1158 WeakPolarHBondContact O-CB 3.37Å; L1155-S1158 PolarHBondContact O-N 2.77Å; L1155-S1158 PolarHBondContact O-OG 2.64Å
1156	N	86.9	Confident	81.7	Confident	76 Å²	76	78 Å²	78	41%	0.406	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.6	173.5	-63.4	-57.6	0	0	0	113.8	V882 D1153 Q1154	V882-N1156 HydrophobicContact CG1-CB 4.13Å; V882-N1156 HydrophobicContact CG2-CB 4.4Å; D1153-N1156 WeakPolarHBondContact O-CB 3.37Å; D1153-N1156 PolarHBondContact O-N 3.3Å; D1153-N1156 PolarHBondContact O-ND2 3.02Å; Q1154-N1156 PolarHBondContact O-N 2.93Å; Q1154-N1156 VanDerWaalsContact O-N 3.17Å
1157	F	91.1	Very high	81	Confident	0 Å²	0	78 Å²	78	0%	0	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	6.5	179.1	-52.8	-78.1	0	0	0	113.3	K873 I876 I877 V882 L885 Q911 V916 L1149 Q1154 L1155 N1159 F1160	K873-F1157 HydrophobicContact CB-CD2 4.37Å; K873-F1157 HydrophobicContact CB-CE2 3.63Å; K873-F1157 HydrophobicContact CB-CZ 3.72Å; K873-F1157 HydrophobicContact CD-CD2 3.72Å; K873-F1157 HydrophobicContact CD-CE2 3.85Å; K873-F1157 HydrophobicContact CD-CG 4.22Å; K873-F1157 HydrophobicContact CD-CZ 4.46Å; K873-F1157 HydrophobicContact CG-CD1 4.38Å; K873-F1157 HydrophobicContact CG-CD2 3.92Å; K873-F1157 HydrophobicContact CG-CE1 4.14Å; K873-F1157 HydrophobicContact CG-CE2 3.63Å; K873-F1157 HydrophobicContact CG-CG 4.28Å; K873-F1157 HydrophobicContact CG-CZ 3.75Å; I876-F1157 HydrophobicContact CB-CZ 4.5Å; I876-F1157 HydrophobicContact CD1-CE1 4.5Å; I876-F1157 HydrophobicContact CG2-CE1 4.28Å; I876-F1157 HydrophobicContact CG2-CZ 4.44Å; I877-F1157 HydrophobicContact CD1-CE2 3.59Å; I877-F1157 HydrophobicContact CD1-CZ 3.99Å; I877-F1157 HydrophobicContact CG1-CE2 4.04Å; I877-F1157 HydrophobicContact CG1-CZ 3.95Å; V882-F1157 HydrophobicContact CG2-CZ 4.43Å; L885-F1157 HydrophobicContact CD2-CD1 3.88Å; L885-F1157 HydrophobicContact CD2-CE1 3.77Å; Q911-F1157 PolarHBondContact NE2-O 2.99Å; Q911-F1157 VanDerWaalsContact OE1-CB 3.32Å; Q911-F1157 PolarHBondContact OE1-O 2.71Å; V916-F1157 HydrophobicContact CG1-CD1 3.74Å; V916-F1157 HydrophobicContact CG1-CE1 4.21Å; V916-F1157 HydrophobicContact CG1-CG 4.26Å; L1149-F1157 HydrophobicContact CD1-CE2 4.5Å; Q1154-F1157 PolarHBondContact O-N 3.25Å; L1155-F1157 PolarHBondContact O-N 3.49Å; L1155-F1157 VanDerWaalsContact O-N 3.14Å; F1157-N1159 VanDerWaalsContact C-N 3.25Å; F1157-N1159 PolarHBondContact O-N 3.28Å; F1157-F1160 HydrophobicContact CB-CB 4.29Å; F1157-F1160 WeakPolarHBondContact O-CB 3.44Å; F1157-F1160 PolarHBondContact O-N 3.33Å
1158	S	85.3	Confident	81.7	Confident	68 Å²	68	76.9 Å²	76.9	48%	0.476	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-41.6	-178.4	50.3	0	0	0	0	113.6	L1155 F1160	L1155-S1158 VanDerWaalsContact O-CB 3.26Å; L1155-S1158 WeakPolarHBondContact O-CB 3.37Å; L1155-S1158 PolarHBondContact O-N 2.77Å; L1155-S1158 PolarHBondContact O-OG 2.64Å; S1158-F1160 VanDerWaalsContact C-N 3.33Å; S1158-F1160 PolarHBondContact O-N 2.91Å
1159	N	85.9	Confident	82.2	Confident	132 Å²	132	74.3 Å²	74.3	71%	0.706	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	15.4	178.7	-64.8	-35.4	0	0	0	114	K889 F1157	K889-N1159 PolarHBondContact NZ-O 3.28Å; F1157-N1159 VanDerWaalsContact C-N 3.25Å; F1157-N1159 PolarHBondContact O-N 3.28Å
1160	F	90.3	Very high	82.2	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	41%	0.408	C	S	.	.			trans	-76.6	-31.3	-177.3	-173.5	-95.3	0	0	0	113.5	L885 K889 C909 F910 Q911 V916 M917 F918 F1157 S1158	L885-F1160 HydrophobicContact CD1-CE2 4.07Å; L885-F1160 HydrophobicContact CD2-CD2 3.79Å; L885-F1160 HydrophobicContact CD2-CE2 3.83Å; L885-F1160 HydrophobicContact CG-CD2 4.26Å; L885-F1160 HydrophobicContact CG-CE2 3.9Å; K889-F1160 HydrophobicContact CD-CD2 4.47Å; K889-F1160 WeakPolarHBondContact CD-O 3.48Å; K889-F1160 WeakPolarHBondContact CE-O 3.37Å; K889-F1160 PolarHBondContact NZ-O 3.11Å; C909-F1160 HydrophobicContact CB-CD1 4.07Å; C909-F1160 HydrophobicContact CB-CE1 3.62Å; C909-F1160 HydrophobicContact CB-CZ 3.96Å; C909-F1160 WeakPolarHBondContact CB-O 3.4Å; F910-F1160 WeakPolarHBondContact O-CE1 3.46Å; Q911-F1160 HydrophobicContact CB-CD1 4.27Å; V916-F1160 HydrophobicContact CB-CD1 3.97Å; V916-F1160 HydrophobicContact CB-CD2 4.37Å; V916-F1160 HydrophobicContact CB-CE1 3.63Å; V916-F1160 HydrophobicContact CB-CE2 4.07Å; V916-F1160 HydrophobicContact CB-CG 4.34Å; V916-F1160 HydrophobicContact CB-CZ 3.7Å; V916-F1160 HydrophobicContact CG1-CD1 3.86Å; V916-F1160 HydrophobicContact CG1-CD2 4.19Å; V916-F1160 HydrophobicContact CG1-CE1 4.07Å; V916-F1160 HydrophobicContact CG1-CE2 4.39Å; V916-F1160 HydrophobicContact CG1-CG 3.94Å; V916-F1160 HydrophobicContact CG1-CZ 4.34Å; V916-F1160 HydrophobicContact CG2-CZ 4.4Å; M917-F1160 WeakPolarHBondContact O-CE1 3.4Å; F918-F1160 HydrophobicContact CD1-CZ 4.19Å; F918-F1160 HydrophobicContact CD2-CZ 4.21Å; F918-F1160 AromaticContact CE1-CE2 3.92Å; F918-F1160 HydrophobicContact CE1-CE2 3.92Å; F918-F1160 AromaticContact CE1-CZ 3.88Å; F918-F1160 HydrophobicContact CE1-CZ 3.88Å; F918-F1160 HydrophobicContact CE2-CE2 4.1Å; F918-F1160 AromaticContact CE2-CZ 3.93Å; F918-F1160 HydrophobicContact CE2-CZ 3.93Å; F918-F1160 HydrophobicContact CG-CZ 4.36Å; F918-F1160 AromaticContact CZ-CE2 3.61Å; F918-F1160 HydrophobicContact CZ-CE2 3.61Å; F918-F1160 AromaticContact CZ-CZ 3.76Å; F918-F1160 HydrophobicContact CZ-CZ 3.76Å; F1157-F1160 HydrophobicContact CB-CB 4.29Å; F1157-F1160 WeakPolarHBondContact O-CB 3.44Å; F1157-F1160 PolarHBondContact O-N 3.33Å; S1158-F1160 VanDerWaalsContact C-N 3.33Å; S1158-F1160 PolarHBondContact O-N 2.91Å
1161	D	89.4	Confident	82	Confident	68 Å²	68	74 Å²	74	36%	0.364	40%	0.395	S	S	.	.			trans	-69	145.4	-175.7	-68.1	14.4	0	0	0	112	K889 C909 Q911	K889-D1161 PolarHBondContact NZ-O 3.25Å; C909-D1161 CarbonylContact O-C 3.57Å; C909-D1161 WeakPolarHBondContact O-CA 3.46Å; Q911-D1161 WeakPolarHBondContact CG-OD1 3.39Å; Q911-D1161 PolarHBondContact N-OD1 2.92Å; Q911-D1161 PolarHBondContact NE2-OD1 3.1Å
1162	Y	89.2	Confident	81.9	Confident	51 Å²	51	69.5 Å²	69.5	20%	0.2	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	150.8	-179.1	168.5	-108.8	0	0	0	110.2	Q893 L906 A908 C909	Q893-Y1162 HydrophobicContact CG-CD1 4.14Å; Q893-Y1162 HydrophobicContact CG-CD2 4.43Å; Q893-Y1162 HydrophobicContact CG-CE1 3.91Å; Q893-Y1162 HydrophobicContact CG-CE2 4.18Å; Q893-Y1162 HydrophobicContact CG-CG 4.4Å; Q893-Y1162 VanDerWaalsContact NE2-CE2 3.35Å; Q893-Y1162 VanDerWaalsContact NE2-CG 3.32Å; L906-Y1162 HydrophobicContact CD2-CD1 3.87Å; L906-Y1162 HydrophobicContact CD2-CE1 3.99Å; L906-Y1162 HydrophobicContact CG-CD1 4.36Å; L906-Y1162 HydrophobicContact CG-CE1 4.32Å; A908-Y1162 CarbonylContact C-O 3.51Å; A908-Y1162 VanDerWaalsContact CA-O 3.31Å; A908-Y1162 WeakPolarHBondContact CA-O 3.41Å; A908-Y1162 WeakPolarHBondContact CB-O 3.25Å; C909-Y1162 PolarHBondContact N-O 2.97Å; C909-Y1162 PolarHBondContact O-N 3.5Å
1163	Y	85.9	Confident	81.8	Confident	100 Å²	100	69.3 Å²	69.3	39%	0.392	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	125.7	170.2	-169.4	-88.1	0	0	0	107.8	L835 A908	L835-Y1163 HydrophobicContact CD1-CD2 4.39Å; L835-Y1163 HydrophobicContact CD1-CE2 4.16Å; A908-Y1163 HydrophobicContact CB-CD2 3.78Å; A908-Y1163 HydrophobicContact CB-CE2 4.36Å
1164	S	80.9	Confident	81.4	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.364	C	S	.	.			trans	-69.1	143.3	176.8	-177.2	0	0	0	0	110.3	T896 I907 L1166	T896-S1164 VanDerWaalsContact CG2-OG 3.32Å; T896-S1164 WeakPolarHBondContact CG2-OG 3.23Å; I907-S1164 WeakPolarHBondContact O-CB 2.99Å; I907-S1164 PolarHBondContact O-N 3.1Å; S1164-L1166 PolarHBondContact OG-N 3.46Å; S1164-L1166 VanDerWaalsContact OG-N 3.12Å
1165	H	72.9	Confident	81	Confident	173 Å²	173	73.3 Å²	73.3	80%	0.801	38%	0.377	S	S	*	.	S	Bend	trans	-97.5	2	171	-60.2	-36.8	0	0	0	112.4
1166	L	57	Low	80.3	Confident	85 Å²	85	69.3 Å²	69.3	45%	0.445	36%	0.356	S	S	.	.			trans	-107.7	1	-170.6	-60.9	171.3	0	0	0	113.3	Q899 S1164	Q899-L1166 PolarHBondContact NE2-O 3.41Å; S1164-L1166 PolarHBondContact OG-N 3.46Å; S1164-L1166 VanDerWaalsContact OG-N 3.12Å
1167	V	48.7	Very low	79.7	Confident	79 Å²	79	68.7 Å²	68.7	48%	0.479	35%	0.351	S	S	.	.			trans	-138.5	0	-178.4	-168.2	0	0	0	0	110.1	T896 I907	T896-V1167 HydrophobicContact CG2-CG2 4.35Å; I907-V1167 HydrophobicContact CG1-CB 4.12Å; I907-V1167 HydrophobicContact CG1-CG1 3.71Å

Retrieved 1,167 of 1,167 residues in 408.3 ms (Link to these results)

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