A0A5K4FF85_SCHMA Loading...

ANK_REP_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FF85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,164 aa.

						>A0A5K4FF85_SCHMA|A0A5K4FF85
MREPEKIKFPLSVQLLAACSNSDLDEFSRLLKLGTDINTQNADGLTSTHLACINVDFDFLKFLISNGADINLQDHEGWTPLHAAASVGCCELARFLIENGASLSILSVDLELPIDVAQDEEMINLLTDSMKKQNIDGDTIKHSEEQMLLHDAQHWLTSGQYKPVIDPRTGATPLHVAACKDYTKAMEILLQIPGLDINAKDFDGWTALHAAAHWNREASARMLANAGASFDEHTRASQSVFDVADKEMIVLLRQLRERQRAERLSNASKLPESSKITEAVKRSHPVELETDENVNTDNDDDDDDNSLIEIDQSNCVNKKPAIEQDIYSSLNDTPSSLTNGKLIKKTVSNEDMVLNTTTITTTTQSTLLSAQERTEILQSATMTTSFNQSTDQQPFITSSTQEKRSLPLSDSGDFLSIDINKPFEKTGKSISPEKSPVMVTSTTSISSDANNDYTSFISGNNNNNRMEKEVSDNIMKMTVPVSSYSSSTTTSLQPGSALRHSSLSPLPISTNSVSDPTSSSTLHLNPQLIESENITDQKYESDNLRESITNKHKTGIVSIISASQNKHPIDEKSQTIVHNNTPNKELSTSSTATATTTTTATSNTPLGTGRSITKIIAVKPRRSDPQKMNLDEKESVLSVNNTQSKLSSPAPETTTNRRISVVMAPTKSGETETQRSVKARYVRSTRRSTQGVSSEDVEQAKKLADKNNNGSAVVSDNSQLMNSNHTVDASSSSDRTTSTDTSGDPNNKSIKMSHTSSASNRIYSDNPTNLFRRLTDTELLKSRSNSETVAGSGDTSIGRSSARTDYSTNERETNDTRSSSHHPASTGRHVNFSGETNMNSSTYDGNSRRSSYISKVRSSEHSPTSENKTDYTTSGGVRERRHIRERNPPERVLSSKSFSTVSDIFERRMSDHNSSYTTNNSGRSEYSPSSYTNTNKFFNTTTNTTSGTNATTVQNENDVKGIIQRPTSRFLHQSTQLVNTSSNSSSTPTYSWNPSQITSNSNNVTTGILNSARGVSTNNHNNSNNNSTNSTDYSSPTPTPRDHVSQWQDSKDYKRLYEREKEERERLQRELDKCNRQISQLRQEQQLRSSNDHSYSNAPDTHNIYNYTSSNNCNNSQIPDTLQSRLYSYEDKMKEIVRLREEISKMKEENGALIRVISKLSKPI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.4	Low	75.3	Confident	241 Å²	241	155.5 Å²	155.5	100%	1.187	74%	0.74	S	S	*	*				0	147.3	0	-65.2	151.4	75.7	0	0	107.4
2	R	51	Low	76.5	Confident	241 Å²	241	146.5 Å²	146.5	91%	0.909	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-71.9	144.8	158.9	-72.5	-175.5	-179.2	171.4	1.2	107.2
3	E	63.2	Low	77.6	Confident	157 Å²	157	141 Å²	141	73%	0.734	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-62.3	143.5	162.2	-69.6	-159.6	168.4	0	0	108.7	E5	E3-E5 PolarHBondContact O-N 3.24Å
4	P	69.9	Low	78.7	Confident	110 Å²	110	134.6 Å²	134.6	71%	0.714	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-62.6	126.2	171.7	27.2	-33.1	0	0	0	108.7	K6	P4-K6 PolarHBondContact O-N 2.82Å
5	E	71	Confident	79.6	Confident	189 Å²	189	125.7 Å²	125.7	88%	0.883	61%	0.611	S	S	*	*			trans	-63.5	112.8	-179.6	-173.5	160.5	-160.6	0	0	109.3	E3 I7	E3-E5 PolarHBondContact O-N 3.24Å; E5-I7 PolarHBondContact O-N 3.46Å; E5-I7 VanDerWaalsContact O-N 3.1Å
6	K	80.8	Confident	80.3	Confident	154 Å²	154	119.4 Å²	119.4	67%	0.67	58%	0.582	S	S	*	*			trans	-67.5	112.9	-171.7	-63.8	176.2	-174.7	168.7	0	108.7	P4 K8	P4-K6 PolarHBondContact O-N 2.82Å; K6-K8 PolarHBondContact O-N 3.44Å
7	I	84.6	Confident	80.8	Confident	154 Å²	154	115.2 Å²	115.2	79%	0.79	57%	0.57	S	S	*	*			trans	-53.5	127.5	176.2	-58.5	173.6	0	0	0	108.7	E5	E5-I7 PolarHBondContact O-N 3.46Å; E5-I7 VanDerWaalsContact O-N 3.1Å
8	K	84.4	Confident	81.5	Confident	181 Å²	181	109.1 Å²	109.1	79%	0.787	54%	0.541	S	S	*	.			trans	-121.3	130.3	177.7	-69.8	167.6	-171.6	171.4	0	108.9	K6	K6-K8 PolarHBondContact O-N 3.44Å
9	F	89.8	Confident	82	Confident	140 Å²	140	103.4 Å²	103.4	61%	0.614	51%	0.513	S	S	*	.			trans	-79.2	157.4	168.1	-61.8	-74.6	0	0	0	110.5	V13 Q14	F9-V13 HydrophobicContact CB-CB 4.44Å; F9-V13 HydrophobicContact CB-CG1 4.42Å; F9-Q14 HydrophobicContact CB-CG 4.24Å; F9-Q14 PolarHBondContact O-NE2 3.31Å
10	P	91	Very high	82.1	Confident	79 Å²	79	101.7 Å²	101.7	51%	0.513	51%	0.511	S	S	.	.			trans	-54	146.2	169.1	-24.1	34.3	0	0	0	111.6	S12 V13 Q14	P10-S12 PolarHBondContact O-N 2.69Å; P10-V13 HydrophobicContact CB-CG2 4.16Å; P10-V13 HydrophobicContact CG-CG2 4.19Å; P10-V13 PolarHBondContact O-N 3.12Å; P10-V13 VanDerWaalsContact O-N 3.1Å; P10-Q14 PolarHBondContact O-N 3.17Å; P10-Q14 VanDerWaalsContact O-N 3.1Å
11	L	92.1	Very high	82.4	Confident	64 Å²	64	103 Å²	103	34%	0.335	52%	0.52	S	S	.	.	H	α-helix	trans	-61.4	-33.8	-178.1	-68.1	175.2	0	0	0	112.5	V13 Q14 L15 L30 L33 T35	L11-V13 PolarHBondContact O-N 3.16Å; L11-Q14 WeakPolarHBondContact O-CB 3.38Å; L11-Q14 PolarHBondContact O-N 2.91Å; L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 PolarHBondContact O-N 3.01Å; L11-L30 HydrophobicContact CD2-CD2 3.79Å; L11-L33 HydrophobicContact CD1-CB 4.16Å; L11-L33 HydrophobicContact CD2-CD1 3.96Å; L11-T35 HydrophobicContact CB-CG2 3.99Å; L11-T35 WeakPolarHBondContact CB-OG1 3.47Å
12	S	89.9	Confident	84.3	Confident	48 Å²	48	93.4 Å²	93.4	34%	0.336	48%	0.477	S	S	.	.	H	α-helix	trans	-57.2	-45.3	172.2	45.3	0	0	0	0	112.9	P10 L15 L16 T39	P10-S12 PolarHBondContact O-N 2.69Å; S12-L15 PolarHBondContact O-N 3.33Å; S12-L16 WeakPolarHBondContact O-CG 3.25Å; S12-L16 PolarHBondContact O-N 3.3Å; S12-T39 VanDerWaalsContact CB-CG2 3.49Å
13	V	90.8	Very high	86.3	Confident	75 Å²	75	85.4 Å²	85.4	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-67	-38.8	177.1	-179.9	0	0	0	0	111	F9 P10 L11 L15 A17	F9-V13 HydrophobicContact CB-CB 4.44Å; F9-V13 HydrophobicContact CB-CG1 4.42Å; P10-V13 HydrophobicContact CB-CG2 4.16Å; P10-V13 HydrophobicContact CG-CG2 4.19Å; P10-V13 PolarHBondContact O-N 3.12Å; P10-V13 VanDerWaalsContact O-N 3.1Å; L11-V13 PolarHBondContact O-N 3.16Å; V13-L15 VanDerWaalsContact C-N 3.34Å; V13-A17 WeakPolarHBondContact O-CB 3.3Å; V13-A17 PolarHBondContact O-N 3.33Å; V13-A17 VanDerWaalsContact O-N 3.08Å
14	Q	92.2	Very high	87.7	Confident	52 Å²	52	81 Å²	81	24%	0.243	43%	0.433	C	S	.	.	H	α-helix	trans	-63.3	-40.1	173.4	-64.1	177.4	48.3	0	0	111.6	F9 P10 L11 A17 A18 L30	F9-Q14 HydrophobicContact CB-CG 4.24Å; F9-Q14 PolarHBondContact O-NE2 3.31Å; P10-Q14 PolarHBondContact O-N 3.17Å; P10-Q14 VanDerWaalsContact O-N 3.1Å; L11-Q14 WeakPolarHBondContact O-CB 3.38Å; L11-Q14 PolarHBondContact O-N 2.91Å; Q14-A17 PolarHBondContact O-N 2.9Å; Q14-A18 WeakPolarHBondContact O-CB 3.12Å; Q14-A18 PolarHBondContact O-N 3.08Å; Q14-L30 HydrophobicContact CB-CD1 3.82Å; Q14-L30 HydrophobicContact CB-CD2 3.9Å
15	L	92.6	Very high	88.9	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-66.8	-45.9	-178.3	-170	76.6	0	0	0	111.9	L11 S12 V13 A17 A18 C19 F27 L30 L31 T35 D36	L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 PolarHBondContact O-N 3.01Å; S12-L15 PolarHBondContact O-N 3.33Å; V13-L15 VanDerWaalsContact C-N 3.34Å; L15-A17 VanDerWaalsContact C-N 3.3Å; L15-A17 PolarHBondContact O-N 3.22Å; L15-A18 PolarHBondContact O-N 3.15Å; L15-C19 PolarHBondContact O-N 3.08Å; L15-F27 HydrophobicContact CD1-CD1 3.99Å; L15-F27 HydrophobicContact CD1-CD2 3.45Å; L15-F27 VanDerWaalsContact CD1-CD2 3.45Å; L15-F27 HydrophobicContact CD1-CE1 3.97Å; L15-F27 HydrophobicContact CD1-CE2 3.43Å; L15-F27 VanDerWaalsContact CD1-CE2 3.43Å; L15-F27 HydrophobicContact CD1-CG 3.76Å; L15-F27 HydrophobicContact CD1-CZ 3.69Å; L15-F27 HydrophobicContact CD2-CE2 4.12Å; L15-F27 HydrophobicContact CD2-CZ 4.08Å; L15-F27 HydrophobicContact CG-CD2 3.84Å; L15-F27 HydrophobicContact CG-CE2 3.41Å; L15-F27 VanDerWaalsContact CG-CE2 3.41Å; L15-F27 HydrophobicContact CG-CZ 3.83Å; L15-F27 WeakPolarHBondContact O-CD2 3.24Å; L15-L30 HydrophobicContact CB-CD1 4.4Å; L15-L30 HydrophobicContact CD1-CB 3.63Å; L15-L30 HydrophobicContact CD1-CD1 4.33Å; L15-L31 HydrophobicContact CD1-CD2 4.16Å; L15-L31 HydrophobicContact CD1-CG 4.49Å; L15-L31 HydrophobicContact CD2-CD2 4.43Å; L15-T35 HydrophobicContact CB-CG2 4.06Å; L15-T35 HydrophobicContact CD2-CG2 3.8Å; L15-T35 HydrophobicContact CG-CG2 4.4Å; L15-D36 WeakPolarHBondContact CD2-O 3.47Å
16	L	90.3	Very high	89.9	Confident	26 Å²	26	76.1 Å²	76.1	14%	0.136	41%	0.405	C	S	.	.	H	α-helix	trans	-63.5	-36.2	174.5	-68.6	169.7	0	0	0	111.8	S12 S20 T39 N41 L50	S12-L16 WeakPolarHBondContact O-CG 3.25Å; S12-L16 PolarHBondContact O-N 3.3Å; L16-S20 WeakPolarHBondContact O-CB 3.21Å; L16-S20 PolarHBondContact O-N 2.94Å; L16-S20 PolarHBondContact O-OG 3.44Å; L16-T39 HydrophobicContact CD1-CG2 3.98Å; L16-T39 HydrophobicContact CD2-CG2 4.42Å; L16-T39 HydrophobicContact CG-CG2 3.99Å; L16-N41 HydrophobicContact CD1-CB 3.79Å; L16-L50 HydrophobicContact CD2-CD1 4.05Å
17	A	90.3	Very high	90.6	Very high	47 Å²	47	68.8 Å²	68.8	39%	0.388	37%	0.374	S	S	.	.	H	α-helix	trans	-69	-38.8	174.2	0	0	0	0	0	112.8	V13 Q14 L15 S20 N21	V13-A17 WeakPolarHBondContact O-CB 3.3Å; V13-A17 PolarHBondContact O-N 3.33Å; V13-A17 VanDerWaalsContact O-N 3.08Å; Q14-A17 PolarHBondContact O-N 2.9Å; L15-A17 VanDerWaalsContact C-N 3.3Å; L15-A17 PolarHBondContact O-N 3.22Å; A17-S20 PolarHBondContact O-N 2.87Å; A17-N21 PolarHBondContact O-N 3.31Å; A17-N21 PolarHBondContact O-ND2 3.01Å
18	A	92.3	Very high	91.1	Very high	6 Å²	6	62.5 Å²	62.5	5%	0.05	34%	0.343	C	S	.	.	H	α-helix	trans	-64	-44.8	174	0	0	0	0	0	111.2	Q14 L15 S20 N21 S22 D23 E26 F27 L30	Q14-A18 WeakPolarHBondContact O-CB 3.12Å; Q14-A18 PolarHBondContact O-N 3.08Å; L15-A18 PolarHBondContact O-N 3.15Å; A18-S20 VanDerWaalsContact C-N 3.33Å; A18-S20 PolarHBondContact O-N 3.4Å; A18-N21 CarbonylContact O-C 3.6Å; A18-N21 PolarHBondContact O-N 3Å; A18-N21 VanDerWaalsContact O-N 3.15Å; A18-S22 PolarHBondContact O-N 3.17Å; A18-S22 VanDerWaalsContact O-N 3.11Å; A18-D23 PolarHBondContact O-N 3.46Å; A18-E26 HydrophobicContact CB-CB 4.33Å; A18-E26 HydrophobicContact CB-CG 4.01Å; A18-F27 HydrophobicContact CB-CB 4.16Å; A18-F27 HydrophobicContact CB-CD2 4.25Å; A18-L30 HydrophobicContact CB-CD1 4.13Å
19	C	90.7	Very high	91.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.9	-40.1	173	178.7	0	0	0	0	112.9	L15 N21 S22 F27 F59	L15-C19 PolarHBondContact O-N 3.08Å; C19-N21 PolarHBondContact O-N 3.03Å; C19-S22 PolarHBondContact O-N 2.9Å; C19-S22 VanDerWaalsContact O-N 3.11Å; C19-F27 HydrophobicContact CB-CD2 4.05Å; C19-F27 HydrophobicContact CB-CE2 3.84Å; C19-F59 HydrophobicContact CB-CE1 3.9Å; C19-F59 HydrophobicContact CB-CZ 3.96Å; C19-F59 VanDerWaalsContact SG-CE1 3.5Å
20	S	85.4	Confident	91.8	Very high	69 Å²	69	52 Å²	52	48%	0.483	29%	0.294	S	S	.	.	H	α-helix	trans	-65.5	-20.3	178.4	-60.4	0	0	0	0	113.5	L16 A17 A18	L16-S20 WeakPolarHBondContact O-CB 3.21Å; L16-S20 PolarHBondContact O-N 2.94Å; L16-S20 PolarHBondContact O-OG 3.44Å; A17-S20 PolarHBondContact O-N 2.87Å; A18-S20 VanDerWaalsContact C-N 3.33Å; A18-S20 PolarHBondContact O-N 3.4Å
21	N	87.7	Confident	91.9	Very high	129 Å²	129	49.8 Å²	49.8	69%	0.69	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	1.6	175.8	-66.6	-60	0	0	0	113.3	A17 A18 C19 D23	A17-N21 PolarHBondContact O-N 3.31Å; A17-N21 PolarHBondContact O-ND2 3.01Å; A18-N21 CarbonylContact O-C 3.6Å; A18-N21 PolarHBondContact O-N 3Å; A18-N21 VanDerWaalsContact O-N 3.15Å; C19-N21 PolarHBondContact O-N 3.03Å; N21-D23 PolarHBondContact O-N 2.94Å
22	S	90.3	Very high	92	Very high	41 Å²	41	55 Å²	55	29%	0.287	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	29	-170.9	-55.6	0	0	0	0	114.7	A18 C19 L24 D56	A18-S22 PolarHBondContact O-N 3.17Å; A18-S22 VanDerWaalsContact O-N 3.11Å; C19-S22 PolarHBondContact O-N 2.9Å; C19-S22 VanDerWaalsContact O-N 3.11Å; S22-L24 PolarHBondContact O-N 3.35Å; S22-D56 WeakPolarHBondContact CB-OD2 3.29Å; S22-D56 PolarHBondContact OG-OD2 2.79Å
23	D	92.8	Very high	92.2	Very high	73 Å²	73	57.3 Å²	57.3	39%	0.39	31%	0.306	S	S	.	.			trans	-79.4	88.4	-178.7	-167.4	-31.1	0	0	0	110.7	A18 N21 D25 E26 F27	A18-D23 PolarHBondContact O-N 3.46Å; N21-D23 PolarHBondContact O-N 2.94Å; D23-D25 VanDerWaalsContact C-N 3.3Å; D23-D25 PolarHBondContact O-N 2.95Å; D23-D25 PolarHBondContact OD1-N 3.41Å; D23-E26 HydrophobicContact CB-CB 4.13Å; D23-E26 VanDerWaalsContact CG-CB 3.45Å; D23-E26 WeakPolarHBondContact OD1-CB 3.49Å; D23-E26 PolarHBondContact OD1-N 2.92Å; D23-F27 WeakPolarHBondContact O-CB 3.39Å; D23-F27 PolarHBondContact O-N 3.13Å
24	L	93.5	Very high	92.1	Very high	64 Å²	64	57.1 Å²	57.1	34%	0.335	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-32.7	-178.9	-73.8	171.2	0	0	0	113.6	S22 S28 F59 F62	S22-L24 PolarHBondContact O-N 3.35Å; L24-S28 WeakPolarHBondContact O-CB 3.2Å; L24-S28 PolarHBondContact O-N 2.9Å; L24-S28 PolarHBondContact O-OG 2.9Å; L24-F59 HydrophobicContact CD2-CD2 3.39Å; L24-F59 HydrophobicContact CD2-CE2 3.63Å; L24-F59 HydrophobicContact CD2-CG 4.14Å; L24-F59 HydrophobicContact CG-CD2 3.79Å; L24-F59 HydrophobicContact CG-CE2 4.06Å; L24-F62 HydrophobicContact CD2-CB 3.57Å; L24-F62 HydrophobicContact CD2-CD1 3.66Å; L24-F62 HydrophobicContact CD2-CD2 3.88Å; L24-F62 HydrophobicContact CD2-CE1 4.37Å; L24-F62 HydrophobicContact CD2-CG 3.4Å
25	D	93.9	Very high	92.1	Very high	137 Å²	137	55.4 Å²	55.4	73%	0.733	31%	0.313	S	S	*	.	H	α-helix	trans	-74.7	-46.6	-178.7	-81.5	-43.7	0	0	0	110.8	D23 S28 R29	D23-D25 VanDerWaalsContact C-N 3.3Å; D23-D25 PolarHBondContact O-N 2.95Å; D23-D25 PolarHBondContact OD1-N 3.41Å; D25-S28 WeakPolarHBondContact O-CB 3.36Å; D25-S28 PolarHBondContact O-N 3.13Å; D25-R29 WeakPolarHBondContact O-CB 3.49Å; D25-R29 PolarHBondContact O-N 2.91Å
26	E	93	Very high	92.1	Very high	60 Å²	60	59.7 Å²	59.7	28%	0.28	34%	0.336	S	S	.	.	H	α-helix	trans	-66.9	-41.2	175.7	179.6	61.5	-175.1	0	0	111.4	A18 D23 R29 L30	A18-E26 HydrophobicContact CB-CB 4.33Å; A18-E26 HydrophobicContact CB-CG 4.01Å; D23-E26 HydrophobicContact CB-CB 4.13Å; D23-E26 VanDerWaalsContact CG-CB 3.45Å; D23-E26 WeakPolarHBondContact OD1-CB 3.49Å; D23-E26 PolarHBondContact OD1-N 2.92Å; E26-R29 WeakPolarHBondContact O-CB 3.26Å; E26-R29 PolarHBondContact O-N 2.91Å; E26-R29 VanDerWaalsContact O-N 3.13Å; E26-R29 IonicContact OE1-CZ 3.51Å; E26-R29 IonicContact OE1-NE 3.56Å; E26-R29 IonicContact OE1-NH2 2.66Å; E26-R29 PolarHBondContact OE1-NH2 3.41Å; E26-R29 IonicContact OE2-CZ 3.47Å; E26-R29 IonicContact OE2-NE 2.71Å; E26-R29 PolarHBondContact OE2-NE 3.29Å; E26-R29 IonicContact OE2-NH2 3.4Å; E26-R29 PolarHBondContact OE2-NH2 3.4Å; E26-L30 HydrophobicContact CG-CD1 4.01Å; E26-L30 VanDerWaalsContact O-CG 3.29Å; E26-L30 WeakPolarHBondContact O-CG 3.49Å; E26-L30 PolarHBondContact O-N 2.66Å
27	F	95	Very high	92.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.9	-45.9	174.3	-164.5	-82.1	0	0	0	111.1	L15 A18 C19 D23 R29 L30 L31 I37 S47 F59 F62 L63	L15-F27 HydrophobicContact CD1-CD1 3.99Å; L15-F27 HydrophobicContact CD1-CD2 3.45Å; L15-F27 VanDerWaalsContact CD1-CD2 3.45Å; L15-F27 HydrophobicContact CD1-CE1 3.97Å; L15-F27 HydrophobicContact CD1-CE2 3.43Å; L15-F27 VanDerWaalsContact CD1-CE2 3.43Å; L15-F27 HydrophobicContact CD1-CG 3.76Å; L15-F27 HydrophobicContact CD1-CZ 3.69Å; L15-F27 HydrophobicContact CD2-CE2 4.12Å; L15-F27 HydrophobicContact CD2-CZ 4.08Å; L15-F27 HydrophobicContact CG-CD2 3.84Å; L15-F27 HydrophobicContact CG-CE2 3.41Å; L15-F27 VanDerWaalsContact CG-CE2 3.41Å; L15-F27 HydrophobicContact CG-CZ 3.83Å; L15-F27 WeakPolarHBondContact O-CD2 3.24Å; A18-F27 HydrophobicContact CB-CB 4.16Å; A18-F27 HydrophobicContact CB-CD2 4.25Å; C19-F27 HydrophobicContact CB-CD2 4.05Å; C19-F27 HydrophobicContact CB-CE2 3.84Å; D23-F27 WeakPolarHBondContact O-CB 3.39Å; D23-F27 PolarHBondContact O-N 3.13Å; F27-R29 VanDerWaalsContact C-N 3.25Å; F27-R29 PolarHBondContact O-N 3.3Å; F27-L30 PolarHBondContact O-N 2.72Å; F27-L30 VanDerWaalsContact O-N 3.13Å; F27-L31 HydrophobicContact CD1-CD1 3.98Å; F27-L31 HydrophobicContact CD1-CD2 4.47Å; F27-L31 HydrophobicContact CD1-CG 3.98Å; F27-L31 HydrophobicContact CE1-CD1 3.83Å; F27-L31 HydrophobicContact CE1-CD2 3.94Å; F27-L31 HydrophobicContact CE1-CG 3.89Å; F27-L31 WeakPolarHBondContact O-CG 3.19Å; F27-L31 PolarHBondContact O-N 2.71Å; F27-I37 HydrophobicContact CE1-CD1 4.43Å; F27-I37 HydrophobicContact CE1-CG1 4.13Å; F27-I37 HydrophobicContact CZ-CG1 4.25Å; F27-S47 VanDerWaalsContact CE2-OG 3.32Å; F27-S47 WeakPolarHBondContact CE2-OG 3.46Å; F27-S47 WeakPolarHBondContact CZ-OG 3.49Å; F27-F59 HydrophobicContact CB-CE2 4.45Å; F27-F59 HydrophobicContact CB-CZ 4.12Å; F27-F59 HydrophobicContact CD1-CZ 4.35Å; F27-F59 HydrophobicContact CD2-CE1 4.33Å; F27-F59 AromaticContact CD2-CZ 3.65Å; F27-F59 HydrophobicContact CD2-CZ 3.65Å; F27-F59 HydrophobicContact CE2-CE1 4.3Å; F27-F59 HydrophobicContact CE2-CZ 4.08Å; F27-F59 AromaticContact CG-CZ 3.79Å; F27-F59 HydrophobicContact CG-CZ 3.79Å; F27-F62 AromaticContact CD1-CE1 3.77Å; F27-F62 HydrophobicContact CD1-CE1 3.77Å; F27-F62 HydrophobicContact CE1-CE1 4.19Å; F27-L63 HydrophobicContact CD1-CD2 4.48Å; F27-L63 HydrophobicContact CE1-CD2 3.5Å; F27-L63 HydrophobicContact CE2-CD2 4.33Å; F27-L63 HydrophobicContact CZ-CD2 3.41Å; F27-L63 VanDerWaalsContact CZ-CD2 3.41Å
28	S	94.1	Very high	92.6	Very high	21 Å²	21	58.7 Å²	58.7	15%	0.147	32%	0.323	C	S	.	.	H	α-helix	trans	-58.4	-35.4	172.6	-68.7	0	0	0	0	112.9	L24 D25 K32 F62	L24-S28 WeakPolarHBondContact O-CB 3.2Å; L24-S28 PolarHBondContact O-N 2.9Å; L24-S28 PolarHBondContact O-OG 2.9Å; D25-S28 WeakPolarHBondContact O-CB 3.36Å; D25-S28 PolarHBondContact O-N 3.13Å; S28-K32 VanDerWaalsContact O-CD 3.25Å; S28-K32 WeakPolarHBondContact O-CD 3.27Å; S28-K32 WeakPolarHBondContact O-CG 3.45Å; S28-K32 PolarHBondContact O-N 2.97Å; S28-F62 WeakPolarHBondContact OG-CE2 3.4Å; S28-F62 WeakPolarHBondContact OG-CZ 3.49Å
29	R	95.2	Very high	92.7	Very high	100 Å²	100	59.3 Å²	59.3	38%	0.377	33%	0.327	S	S	.	.	H	α-helix	trans	-70	-38.1	176.4	-166.1	-165.2	65.3	68.1	-0.1	111.6	D25 E26 F27 K32 L33	D25-R29 WeakPolarHBondContact O-CB 3.49Å; D25-R29 PolarHBondContact O-N 2.91Å; E26-R29 WeakPolarHBondContact O-CB 3.26Å; E26-R29 PolarHBondContact O-N 2.91Å; E26-R29 VanDerWaalsContact O-N 3.13Å; E26-R29 IonicContact OE1-CZ 3.51Å; E26-R29 IonicContact OE1-NE 3.56Å; E26-R29 IonicContact OE1-NH2 2.66Å; E26-R29 PolarHBondContact OE1-NH2 3.41Å; E26-R29 IonicContact OE2-CZ 3.47Å; E26-R29 IonicContact OE2-NE 2.71Å; E26-R29 PolarHBondContact OE2-NE 3.29Å; E26-R29 IonicContact OE2-NH2 3.4Å; E26-R29 PolarHBondContact OE2-NH2 3.4Å; F27-R29 VanDerWaalsContact C-N 3.25Å; F27-R29 PolarHBondContact O-N 3.3Å; R29-K32 PolarHBondContact O-N 3.43Å; R29-L33 PolarHBondContact O-N 3.1Å
30	L	94.4	Very high	92.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-74	-37.8	179.8	-70.4	165.1	0	0	0	112.5	L11 Q14 L15 A18 E26 F27 K32 L33 T35	L11-L30 HydrophobicContact CD2-CD2 3.79Å; Q14-L30 HydrophobicContact CB-CD1 3.82Å; Q14-L30 HydrophobicContact CB-CD2 3.9Å; L15-L30 HydrophobicContact CB-CD1 4.4Å; L15-L30 HydrophobicContact CD1-CB 3.63Å; L15-L30 HydrophobicContact CD1-CD1 4.33Å; A18-L30 HydrophobicContact CB-CD1 4.13Å; E26-L30 HydrophobicContact CG-CD1 4.01Å; E26-L30 VanDerWaalsContact O-CG 3.29Å; E26-L30 WeakPolarHBondContact O-CG 3.49Å; E26-L30 PolarHBondContact O-N 2.66Å; F27-L30 PolarHBondContact O-N 2.72Å; F27-L30 VanDerWaalsContact O-N 3.13Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 2.9Å; L30-L33 PolarHBondContact O-N 3.23Å; L30-L33 VanDerWaalsContact O-N 3.12Å; L30-T35 WeakPolarHBondContact O-CB 3.5Å; L30-T35 PolarHBondContact O-N 3.35Å; L30-T35 PolarHBondContact O-OG1 3.22Å
31	L	93.7	Very high	93	Very high	34 Å²	34	62.1 Å²	62.1	18%	0.178	33%	0.334	C	S	.	.	H	α-helix	trans	-58.6	-43.6	169.1	-66.5	-175.7	0	0	0	111.3	L15 F27 L33 G34 T35 I37 F62 N66	L15-L31 HydrophobicContact CD1-CD2 4.16Å; L15-L31 HydrophobicContact CD1-CG 4.49Å; L15-L31 HydrophobicContact CD2-CD2 4.43Å; F27-L31 HydrophobicContact CD1-CD1 3.98Å; F27-L31 HydrophobicContact CD1-CD2 4.47Å; F27-L31 HydrophobicContact CD1-CG 3.98Å; F27-L31 HydrophobicContact CE1-CD1 3.83Å; F27-L31 HydrophobicContact CE1-CD2 3.94Å; F27-L31 HydrophobicContact CE1-CG 3.89Å; F27-L31 WeakPolarHBondContact O-CG 3.19Å; F27-L31 PolarHBondContact O-N 2.71Å; L31-L33 PolarHBondContact O-N 3Å; L31-L33 VanDerWaalsContact O-N 3.16Å; L31-G34 PolarHBondContact O-N 2.76Å; L31-T35 WeakPolarHBondContact CD2-O 3.5Å; L31-I37 HydrophobicContact CD1-CD1 4.1Å; L31-I37 HydrophobicContact CD2-CB 3.74Å; L31-I37 HydrophobicContact CD2-CG1 4.14Å; L31-F62 HydrophobicContact CD1-CE1 4.31Å; L31-F62 HydrophobicContact CD1-CZ 4.46Å; L31-N66 HydrophobicContact CD1-CB 4.34Å
32	K	94	Very high	93.1	Very high	172 Å²	172	60.2 Å²	60.2	75%	0.748	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.1	176.7	-70.4	164.6	-167.7	165.1	0	114.2	S28 R29 L30 G34	S28-K32 VanDerWaalsContact O-CD 3.25Å; S28-K32 WeakPolarHBondContact O-CD 3.27Å; S28-K32 WeakPolarHBondContact O-CG 3.45Å; S28-K32 PolarHBondContact O-N 2.97Å; R29-K32 PolarHBondContact O-N 3.43Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 2.9Å; K32-G34 VanDerWaalsContact C-N 3.34Å
33	L	93.4	Very high	93	Very high	98 Å²	98	60.7 Å²	60.7	51%	0.513	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3.4	169.7	-70.4	-176.3	0	0	0	113.7	L11 R29 L30 L31	L11-L33 HydrophobicContact CD1-CB 4.16Å; L11-L33 HydrophobicContact CD2-CD1 3.96Å; R29-L33 PolarHBondContact O-N 3.1Å; L30-L33 PolarHBondContact O-N 3.23Å; L30-L33 VanDerWaalsContact O-N 3.12Å; L31-L33 PolarHBondContact O-N 3Å; L31-L33 VanDerWaalsContact O-N 3.16Å
34	G	89.2	Confident	93	Very high	71 Å²	71	57.2 Å²	57.2	73%	0.732	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	23.2	-179.2	0	0	0	0	0	114.2	L31 K32	L31-G34 PolarHBondContact O-N 2.76Å; K32-G34 VanDerWaalsContact C-N 3.34Å
35	T	91.8	Very high	93	Very high	16 Å²	16	54.4 Å²	54.4	10%	0.098	30%	0.302	C	S	.	.			trans	-78.6	133.1	170.7	-34.9	0	0	0	0	109.5	L11 L15 L30 L31 I37	L11-T35 HydrophobicContact CB-CG2 3.99Å; L11-T35 WeakPolarHBondContact CB-OG1 3.47Å; L15-T35 HydrophobicContact CB-CG2 4.06Å; L15-T35 HydrophobicContact CD2-CG2 3.8Å; L15-T35 HydrophobicContact CG-CG2 4.4Å; L30-T35 WeakPolarHBondContact O-CB 3.5Å; L30-T35 PolarHBondContact O-N 3.35Å; L30-T35 PolarHBondContact O-OG1 3.22Å; L31-T35 WeakPolarHBondContact CD2-O 3.5Å; T35-I37 PolarHBondContact O-N 3.26Å
36	D	93.5	Very high	93	Very high	90 Å²	90	47.9 Å²	47.9	48%	0.481	27%	0.267	S	S	.	.			trans	-68.2	128.4	176.8	-176.6	6.3	0	0	0	111	L15 N38 T39	L15-D36 WeakPolarHBondContact CD2-O 3.47Å; D36-N38 PolarHBondContact O-N 3.49Å; D36-N38 WeakPolarHBondContact OD1-CB 3.5Å; D36-N38 PolarHBondContact OD1-N 3.06Å; D36-N38 PolarHBondContact OD1-ND2 3.07Å; D36-N38 VanDerWaalsContact OD1-ND2 3.17Å; D36-T39 WeakPolarHBondContact O-CB 3.38Å; D36-T39 PolarHBondContact O-N 2.94Å; D36-T39 VanDerWaalsContact O-N 3.11Å; D36-T39 PolarHBondContact O-OG1 3.36Å
37	I	94.7	Very high	93.1	Very high	15 Å²	15	45.1 Å²	45.1	8%	0.077	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26	175.1	-166.2	164.6	0	0	0	112.4	F27 L31 T35 T39 L63 N66 A68	F27-I37 HydrophobicContact CE1-CD1 4.43Å; F27-I37 HydrophobicContact CE1-CG1 4.13Å; F27-I37 HydrophobicContact CZ-CG1 4.25Å; L31-I37 HydrophobicContact CD1-CD1 4.1Å; L31-I37 HydrophobicContact CD2-CB 3.74Å; L31-I37 HydrophobicContact CD2-CG1 4.14Å; T35-I37 PolarHBondContact O-N 3.26Å; I37-T39 VanDerWaalsContact C-N 3.29Å; I37-T39 PolarHBondContact O-N 2.78Å; I37-L63 HydrophobicContact CD1-CD2 4.01Å; I37-L63 HydrophobicContact CG1-CD2 3.93Å; I37-N66 HydrophobicContact CD1-CB 3.6Å; I37-A68 HydrophobicContact CD1-CB 3.83Å; I37-A68 HydrophobicContact CG1-CB 3.91Å; I37-A68 HydrophobicContact CG2-CB 4.38Å
38	N	95.2	Very high	93.2	Very high	36 Å²	36	45.1 Å²	45.1	19%	0.193	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	12.4	178.2	-53.6	-61.5	0	0	0	113.3	D36 Q40 D69 L72	D36-N38 PolarHBondContact O-N 3.49Å; D36-N38 WeakPolarHBondContact OD1-CB 3.5Å; D36-N38 PolarHBondContact OD1-N 3.06Å; D36-N38 PolarHBondContact OD1-ND2 3.07Å; D36-N38 VanDerWaalsContact OD1-ND2 3.17Å; N38-Q40 PolarHBondContact O-N 3.45Å; N38-D69 PolarHBondContact OD1-N 3Å; N38-L72 HydrophobicContact CB-CD2 4.39Å
39	T	94.4	Very high	93.2	Very high	20 Å²	20	44.1 Å²	44.1	12%	0.123	25%	0.248	C	C	.	.			trans	-47.3	123.8	171	-67.8	0	0	0	0	110.7	S12 L16 D36 I37	S12-T39 VanDerWaalsContact CB-CG2 3.49Å; L16-T39 HydrophobicContact CD1-CG2 3.98Å; L16-T39 HydrophobicContact CD2-CG2 4.42Å; L16-T39 HydrophobicContact CG-CG2 3.99Å; D36-T39 WeakPolarHBondContact O-CB 3.38Å; D36-T39 PolarHBondContact O-N 2.94Å; D36-T39 VanDerWaalsContact O-N 3.11Å; D36-T39 PolarHBondContact O-OG1 3.36Å; I37-T39 VanDerWaalsContact C-N 3.29Å; I37-T39 PolarHBondContact O-N 2.78Å
40	Q	92.7	Very high	93.2	Very high	81 Å²	81	40.7 Å²	40.7	38%	0.379	24%	0.236	S	C	.	.			trans	-98.2	149.1	176.8	-62.3	-174.9	-82.2	0	0	111.2	N38 G44 L45 T46 L72 Q73	N38-Q40 PolarHBondContact O-N 3.45Å; Q40-G44 WeakPolarHBondContact CG-O 3.36Å; Q40-G44 PolarHBondContact NE2-O 3.04Å; Q40-L45 WeakPolarHBondContact CA-O 3.29Å; Q40-T46 HydrophobicContact CG-CG2 3.92Å; Q40-L72 HydrophobicContact CG-CD2 3.99Å; Q40-Q73 PolarHBondContact NE2-O 3.33Å
41	N	91.5	Very high	93.2	Very high	46 Å²	46	40.7 Å²	40.7	25%	0.246	24%	0.237	C	C	.	.			trans	-83.7	-172.2	169.1	88.5	-25.4	0	0	0	111.6	L16 D43 G44 L45	L16-N41 HydrophobicContact CD1-CB 3.79Å; N41-D43 PolarHBondContact ND2-OD2 3.42Å; N41-D43 PolarHBondContact O-N 3.43Å; N41-D43 WeakPolarHBondContact OD1-CA 3.4Å; N41-D43 WeakPolarHBondContact OD1-CB 3.37Å; N41-D43 PolarHBondContact OD1-N 2.81Å; N41-G44 PolarHBondContact O-N 3.38Å; N41-G44 PolarHBondContact OD1-N 3.32Å; N41-G44 VanDerWaalsContact OD1-N 3.12Å; N41-L45 PolarHBondContact N-O 3.49Å; N41-L45 WeakPolarHBondContact OD1-CB 3.18Å; N41-L45 PolarHBondContact OD1-N 3.29Å
42	A	89.3	Confident	93.2	Very high	90 Å²	90	39.1 Å²	39.1	74%	0.744	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.7	178.2	0	0	0	0	0	114.4	H75	A42-H75 PolarHBondContact O-CE1 3.27Å; A42-H75 PolarHBondContact O-ND1 3.29Å
43	D	88.4	Confident	93.2	Very high	50 Å²	50	31 Å²	31	27%	0.267	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	6.4	177.3	-38.3	-71.6	0	0	0	111.7	N41 L45 H75	N41-D43 PolarHBondContact ND2-OD2 3.42Å; N41-D43 PolarHBondContact O-N 3.43Å; N41-D43 WeakPolarHBondContact OD1-CA 3.4Å; N41-D43 WeakPolarHBondContact OD1-CB 3.37Å; N41-D43 PolarHBondContact OD1-N 2.81Å; D43-L45 VanDerWaalsContact C-N 3.28Å; D43-L45 HydrophobicContact CB-CD1 4.26Å; D43-L45 HydrophobicContact CB-CG 4.19Å; D43-L45 PolarHBondContact O-N 2.82Å; D43-H75 VanDerWaalsContact C-CG 3.46Å; D43-H75 VanDerWaalsContact C-ND1 3.34Å; D43-H75 VanDerWaalsContact O-CB 3.25Å; D43-H75 WeakPolarHBondContact O-CB 3.24Å; D43-H75 PolarHBondContact O-N 3.19Å
44	G	92.2	Very high	93.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.18	C	C	.	.			trans	81.4	0	-176.8	0	0	0	0	0	114.4	Q40 N41 T46 D74 H75	Q40-G44 WeakPolarHBondContact CG-O 3.36Å; Q40-G44 PolarHBondContact NE2-O 3.04Å; N41-G44 PolarHBondContact O-N 3.38Å; N41-G44 PolarHBondContact OD1-N 3.32Å; N41-G44 VanDerWaalsContact OD1-N 3.12Å; G44-T46 PolarHBondContact O-N 3.04Å; G44-D74 WeakPolarHBondContact O-CA 3.35Å; G44-H75 PolarHBondContact N-ND1 2.91Å
45	L	93.9	Very high	93.3	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	17%	0.166	C	C	.	.			trans	-71.3	121	-174.7	-59.7	171	0	0	0	111.2	Q40 N41 D43 H49 L50 I53 D74 T673	Q40-L45 WeakPolarHBondContact CA-O 3.29Å; N41-L45 PolarHBondContact N-O 3.49Å; N41-L45 WeakPolarHBondContact OD1-CB 3.18Å; N41-L45 PolarHBondContact OD1-N 3.29Å; D43-L45 VanDerWaalsContact C-N 3.28Å; D43-L45 HydrophobicContact CB-CD1 4.26Å; D43-L45 HydrophobicContact CB-CG 4.19Å; D43-L45 PolarHBondContact O-N 2.82Å; L45-H49 HydrophobicContact CB-CB 4.21Å; L45-H49 HydrophobicContact CD2-CB 3.75Å; L45-L50 HydrophobicContact CB-CD2 4.45Å; L45-L50 HydrophobicContact CD1-CD2 4.41Å; L45-I53 HydrophobicContact CD1-CD1 4.4Å; L45-I53 HydrophobicContact CD2-CD1 4.27Å; L45-D74 HydrophobicContact CD2-CB 3.83Å; L45-D74 WeakPolarHBondContact CD2-OD2 3.49Å; L45-T673 WeakPolarHBondContact CD2-OG1 3.17Å
46	T	94.6	Very high	93.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.17	C	C	.	.			trans	-80.1	169.1	169.7	59.4	0	0	0	0	111.6	Q40 G44 T48 H49 L50 L72	Q40-T46 HydrophobicContact CG-CG2 3.92Å; G44-T46 PolarHBondContact O-N 3.04Å; T46-T48 PolarHBondContact O-N 2.68Å; T46-T48 PolarHBondContact OG1-N 3.23Å; T46-T48 PolarHBondContact OG1-OG1 3.49Å; T46-H49 WeakPolarHBondContact O-CB 3.11Å; T46-H49 PolarHBondContact O-N 3.19Å; T46-H49 VanDerWaalsContact O-N 3.14Å; T46-H49 PolarHBondContact OG1-N 3.27Å; T46-H49 PolarHBondContact OG1-ND1 2.95Å; T46-L50 WeakPolarHBondContact O-CG 3.33Å; T46-L50 PolarHBondContact O-N 3.27Å; T46-L72 HydrophobicContact CG2-CB 4.39Å; T46-L72 HydrophobicContact CG2-CD2 3.45Å; T46-L72 VanDerWaalsContact CG2-CD2 3.45Å; T46-L72 HydrophobicContact CG2-CG 4.48Å
47	S	94.9	Very high	93.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-55.5	-32.8	167.3	-51.4	0	0	0	0	113	F27 L50 A51 L63	F27-S47 VanDerWaalsContact CE2-OG 3.32Å; F27-S47 WeakPolarHBondContact CE2-OG 3.46Å; F27-S47 WeakPolarHBondContact CZ-OG 3.49Å; S47-L50 PolarHBondContact O-N 3.45Å; S47-A51 WeakPolarHBondContact O-CB 3.46Å; S47-A51 PolarHBondContact O-N 3.06Å; S47-L63 VanDerWaalsContact O-CD1 3.24Å; S47-L63 WeakPolarHBondContact O-CD1 3.45Å
48	T	96.1	Very high	93.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-68.9	-38.6	176.2	41.6	0	0	0	0	112.4	T46 C52 L60 L63 A68 D69	T46-T48 PolarHBondContact O-N 2.68Å; T46-T48 PolarHBondContact OG1-N 3.23Å; T46-T48 PolarHBondContact OG1-OG1 3.49Å; T48-C52 PolarHBondContact O-N 3.3Å; T48-C52 PolarHBondContact O-SG 3.11Å; T48-L60 HydrophobicContact CG2-CD1 4.04Å; T48-L63 HydrophobicContact CG2-CB 3.94Å; T48-L63 HydrophobicContact CG2-CD1 3.94Å; T48-A68 HydrophobicContact CG2-CB 3.55Å; T48-D69 PolarHBondContact OG1-O 3.47Å
49	H	95.3	Very high	93.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-50.3	169.4	-71.7	87	0	0	0	111.2	L45 T46 A51 C52 I53 L72 W78 T79	L45-H49 HydrophobicContact CB-CB 4.21Å; L45-H49 HydrophobicContact CD2-CB 3.75Å; T46-H49 WeakPolarHBondContact O-CB 3.11Å; T46-H49 PolarHBondContact O-N 3.19Å; T46-H49 VanDerWaalsContact O-N 3.14Å; T46-H49 PolarHBondContact OG1-N 3.27Å; T46-H49 PolarHBondContact OG1-ND1 2.95Å; H49-A51 VanDerWaalsContact C-N 3.31Å; H49-A51 PolarHBondContact O-N 2.87Å; H49-C52 PolarHBondContact O-N 2.86Å; H49-C52 VanDerWaalsContact O-N 3.13Å; H49-I53 HydrophobicContact CB-CD1 4.46Å; H49-I53 VanDerWaalsContact O-CG1 3.27Å; H49-I53 WeakPolarHBondContact O-CG1 3.24Å; H49-I53 PolarHBondContact O-N 2.66Å; H49-L72 PolarHBondContact CE1-O 3.18Å; H49-W78 PolarHBondContact NE2-O 3Å; H49-W78 VanDerWaalsContact NE2-O 3.16Å; H49-T79 VanDerWaalsContact NE2-CA 3.28Å; H49-T79 WeakPolarHBondContact NE2-CA 3.47Å
50	L	93.5	Very high	93.7	Very high	27 Å²	27	28.9 Å²	28.9	14%	0.141	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-38.9	-177.7	-67.6	175.7	0	0	0	112.3	L16 L45 T46 S47 I53 N54	L16-L50 HydrophobicContact CD2-CD1 4.05Å; L45-L50 HydrophobicContact CB-CD2 4.45Å; L45-L50 HydrophobicContact CD1-CD2 4.41Å; T46-L50 WeakPolarHBondContact O-CG 3.33Å; T46-L50 PolarHBondContact O-N 3.27Å; S47-L50 PolarHBondContact O-N 3.45Å; L50-I53 PolarHBondContact O-N 3.49Å; L50-N54 WeakPolarHBondContact O-CB 3.32Å; L50-N54 VanDerWaalsContact O-CG 3.24Å; L50-N54 PolarHBondContact O-N 3.33Å; L50-N54 PolarHBondContact O-ND2 3.02Å
51	A	94.3	Very high	93.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-44.3	174	0	0	0	0	0	112.4	S47 H49 N54 V55 D56 F59 L60 L63	S47-A51 WeakPolarHBondContact O-CB 3.46Å; S47-A51 PolarHBondContact O-N 3.06Å; H49-A51 VanDerWaalsContact C-N 3.31Å; H49-A51 PolarHBondContact O-N 2.87Å; A51-N54 PolarHBondContact O-N 2.99Å; A51-V55 PolarHBondContact O-N 3.26Å; A51-V55 VanDerWaalsContact O-N 3.07Å; A51-D56 PolarHBondContact O-N 3.29Å; A51-F59 HydrophobicContact CB-CD1 4.27Å; A51-L60 HydrophobicContact CB-CB 4.05Å; A51-L60 HydrophobicContact CB-CD1 4.3Å; A51-L63 HydrophobicContact CB-CD1 4.03Å
52	C	95.5	Very high	94	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-46	176.1	-66.3	0	0	0	0	112.4	T48 H49 N54 V55 P80 A83 A84	T48-C52 PolarHBondContact O-N 3.3Å; T48-C52 PolarHBondContact O-SG 3.11Å; H49-C52 PolarHBondContact O-N 2.86Å; H49-C52 VanDerWaalsContact O-N 3.13Å; C52-N54 PolarHBondContact O-N 3.27Å; C52-V55 PolarHBondContact O-N 3.25Å; C52-V55 VanDerWaalsContact O-N 3.16Å; C52-P80 PolarHBondContact SG-O 3.25Å; C52-P80 VanDerWaalsContact SG-O 3.34Å; C52-A83 HydrophobicContact CB-CB 4.06Å; C52-A84 HydrophobicContact CB-CB 4.29Å
53	I	93.4	Very high	94.4	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-64	-31.3	175.8	-59.9	164.2	0	0	0	110.6	L45 H49 L50 V55 A83 T673 S676 V677 R680	L45-I53 HydrophobicContact CD1-CD1 4.4Å; L45-I53 HydrophobicContact CD2-CD1 4.27Å; H49-I53 HydrophobicContact CB-CD1 4.46Å; H49-I53 VanDerWaalsContact O-CG1 3.27Å; H49-I53 WeakPolarHBondContact O-CG1 3.24Å; H49-I53 PolarHBondContact O-N 2.66Å; L50-I53 PolarHBondContact O-N 3.49Å; I53-V55 VanDerWaalsContact C-N 3.35Å; I53-A83 HydrophobicContact CG1-CB 3.89Å; I53-T673 HydrophobicContact CD1-CG2 3.92Å; I53-T673 HydrophobicContact CG1-CG2 4.26Å; I53-S676 WeakPolarHBondContact CG2-OG 3.14Å; I53-V677 HydrophobicContact CG2-CG2 4.1Å; I53-R680 WeakPolarHBondContact O-CD 3.39Å; I53-R680 PolarHBondContact O-NE 2.86Å; I53-R680 PolarHBondContact O-NH2 3.1Å
54	N	91.5	Very high	94.7	Very high	44 Å²	44	22.7 Å²	22.7	24%	0.235	12%	0.116	C	C	.	.	H	α-helix	trans	-76.1	-17.8	176.2	-81.7	-21.5	0	0	0	114.8	L50 A51 C52 D56 R680	L50-N54 WeakPolarHBondContact O-CB 3.32Å; L50-N54 VanDerWaalsContact O-CG 3.24Å; L50-N54 PolarHBondContact O-N 3.33Å; L50-N54 PolarHBondContact O-ND2 3.02Å; A51-N54 PolarHBondContact O-N 2.99Å; C52-N54 PolarHBondContact O-N 3.27Å; N54-D56 VanDerWaalsContact C-N 3.28Å; N54-D56 HydrophobicContact CB-CB 4.23Å; N54-R680 VanDerWaalsContact OD1-CZ 3.25Å; N54-R680 PolarHBondContact OD1-NH1 3.15Å; N54-R680 PolarHBondContact OD1-NH2 2.81Å
55	V	93.7	Very high	94.9	Very high	71 Å²	71	27.1 Å²	27.1	43%	0.43	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	36.8	-165.9	-159.2	0	0	0	0	111.9	A51 C52 I53 V87 C89 L92	A51-V55 PolarHBondContact O-N 3.26Å; A51-V55 VanDerWaalsContact O-N 3.07Å; C52-V55 PolarHBondContact O-N 3.25Å; C52-V55 VanDerWaalsContact O-N 3.16Å; I53-V55 VanDerWaalsContact C-N 3.35Å; V55-V87 HydrophobicContact CG2-CG1 3.54Å; V55-C89 HydrophobicContact CG1-CB 4.31Å; V55-L92 HydrophobicContact CB-CD1 4.43Å; V55-L92 HydrophobicContact CG1-CD1 4.04Å
56	D	94.4	Very high	94.9	Very high	36 Å²	36	30.6 Å²	30.6	19%	0.193	17%	0.166	C	C	.	.			trans	-99.2	95.1	-179.9	-162.5	-33.8	0	0	0	111.4	S22 A51 N54 D58 F59 L60	S22-D56 WeakPolarHBondContact CB-OD2 3.29Å; S22-D56 PolarHBondContact OG-OD2 2.79Å; A51-D56 PolarHBondContact O-N 3.29Å; N54-D56 VanDerWaalsContact C-N 3.28Å; N54-D56 HydrophobicContact CB-CB 4.23Å; D56-D58 PolarHBondContact OD1-N 3.31Å; D56-F59 HydrophobicContact CB-CB 3.97Å; D56-F59 VanDerWaalsContact OD1-CB 3.29Å; D56-F59 WeakPolarHBondContact OD1-CB 3.15Å; D56-F59 PolarHBondContact OD1-N 3.1Å; D56-L60 WeakPolarHBondContact O-CB 3.43Å; D56-L60 PolarHBondContact O-N 3.05Å
57	F	94.8	Very high	94.8	Very high	48 Å²	48	33.3 Å²	33.3	21%	0.211	19%	0.193	C	C	.	.	H	α-helix	trans	-72	-35	-175.9	-168.7	-141.4	0	0	0	113.2	K61 E91 L92 F95	F57-K61 VanDerWaalsContact CE1-NZ 3.27Å; F57-K61 VanDerWaalsContact O-CG 3.26Å; F57-K61 WeakPolarHBondContact O-CG 3.32Å; F57-K61 PolarHBondContact O-N 3.01Å; F57-E91 HydrophobicContact CD1-CG 4.42Å; F57-E91 HydrophobicContact CE1-CG 3.9Å; F57-E91 WeakPolarHBondContact CE1-OE1 3.35Å; F57-E91 HydrophobicContact CE2-CG 4.11Å; F57-E91 HydrophobicContact CZ-CG 3.73Å; F57-L92 HydrophobicContact CB-CD2 4.44Å; F57-L92 HydrophobicContact CD2-CD2 3.81Å; F57-L92 HydrophobicContact CD2-CG 4.41Å; F57-F95 HydrophobicContact CD2-CD1 4.49Å; F57-F95 HydrophobicContact CE2-CB 3.59Å; F57-F95 AromaticContact CE2-CD1 3.9Å; F57-F95 HydrophobicContact CE2-CD1 3.9Å; F57-F95 HydrophobicContact CE2-CD2 4.3Å; F57-F95 AromaticContact CE2-CG 3.68Å; F57-F95 HydrophobicContact CE2-CG 3.68Å; F57-F95 HydrophobicContact CZ-CB 4.19Å; F57-F95 HydrophobicContact CZ-CD2 4.5Å; F57-F95 HydrophobicContact CZ-CG 4.28Å
58	D	94.9	Very high	94.8	Very high	101 Å²	101	33.6 Å²	33.6	54%	0.54	20%	0.196	S	C	.	.	H	α-helix	trans	-81.8	-33.8	-177.9	-68.1	-36.7	0	0	0	111.6	D56 K61 F62	D56-D58 PolarHBondContact OD1-N 3.31Å; D58-K61 PolarHBondContact O-N 3.14Å; D58-K61 IonicContact OD1-NZ 2.68Å; D58-K61 PolarHBondContact OD1-NZ 3.36Å; D58-F62 WeakPolarHBondContact O-CB 3.49Å; D58-F62 PolarHBondContact O-N 3.38Å
59	F	95.5	Very high	94.8	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-66.5	-39.1	168.5	-155.6	-85.1	0	0	0	111.7	C19 L24 F27 A51 D56 F62 L63	C19-F59 HydrophobicContact CB-CE1 3.9Å; C19-F59 HydrophobicContact CB-CZ 3.96Å; C19-F59 VanDerWaalsContact SG-CE1 3.5Å; L24-F59 HydrophobicContact CD2-CD2 3.39Å; L24-F59 HydrophobicContact CD2-CE2 3.63Å; L24-F59 HydrophobicContact CD2-CG 4.14Å; L24-F59 HydrophobicContact CG-CD2 3.79Å; L24-F59 HydrophobicContact CG-CE2 4.06Å; F27-F59 HydrophobicContact CB-CE2 4.45Å; F27-F59 HydrophobicContact CB-CZ 4.12Å; F27-F59 HydrophobicContact CD1-CZ 4.35Å; F27-F59 HydrophobicContact CD2-CE1 4.33Å; F27-F59 AromaticContact CD2-CZ 3.65Å; F27-F59 HydrophobicContact CD2-CZ 3.65Å; F27-F59 HydrophobicContact CE2-CE1 4.3Å; F27-F59 HydrophobicContact CE2-CZ 4.08Å; F27-F59 AromaticContact CG-CZ 3.79Å; F27-F59 HydrophobicContact CG-CZ 3.79Å; A51-F59 HydrophobicContact CB-CD1 4.27Å; D56-F59 HydrophobicContact CB-CB 3.97Å; D56-F59 VanDerWaalsContact OD1-CB 3.29Å; D56-F59 WeakPolarHBondContact OD1-CB 3.15Å; D56-F59 PolarHBondContact OD1-N 3.1Å; F59-F62 WeakPolarHBondContact O-CB 3.17Å; F59-F62 PolarHBondContact O-N 2.93Å; F59-L63 HydrophobicContact CD1-CD1 3.65Å; F59-L63 HydrophobicContact CD1-CD2 4.47Å; F59-L63 HydrophobicContact CD1-CG 3.87Å; F59-L63 HydrophobicContact CE1-CD1 3.78Å; F59-L63 HydrophobicContact CE1-CD2 3.93Å; F59-L63 HydrophobicContact CE1-CG 3.84Å; F59-L63 WeakPolarHBondContact O-CG 3.45Å; F59-L63 PolarHBondContact O-N 3.1Å
60	L	96.5	Very high	94.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-44.3	174.1	-175.5	67	0	0	0	112.4	T48 A51 D56 F62 L63 I64 L92 F95 L96	T48-L60 HydrophobicContact CG2-CD1 4.04Å; A51-L60 HydrophobicContact CB-CB 4.05Å; A51-L60 HydrophobicContact CB-CD1 4.3Å; D56-L60 WeakPolarHBondContact O-CB 3.43Å; D56-L60 PolarHBondContact O-N 3.05Å; L60-F62 VanDerWaalsContact C-N 3.29Å; L60-F62 PolarHBondContact O-N 3.11Å; L60-L63 PolarHBondContact O-N 3.29Å; L60-I64 HydrophobicContact CD1-CD1 4.08Å; L60-I64 HydrophobicContact CD1-CG1 4.29Å; L60-I64 HydrophobicContact CD2-CD1 4.47Å; L60-I64 HydrophobicContact CG-CD1 4.03Å; L60-I64 PolarHBondContact O-N 3.39Å; L60-L92 HydrophobicContact CB-CD2 4.24Å; L60-L92 HydrophobicContact CD2-CD2 3.44Å; L60-L92 VanDerWaalsContact CD2-CD2 3.44Å; L60-L92 HydrophobicContact CG-CD2 4.47Å; L60-F95 HydrophobicContact CD2-CD1 4.02Å; L60-F95 HydrophobicContact CD2-CE1 4.44Å; L60-F95 HydrophobicContact CG-CD1 4.42Å; L60-F95 HydrophobicContact CG-CE1 4.35Å; L60-L96 HydrophobicContact CD1-CD2 4.37Å; L60-L96 HydrophobicContact CD2-CD2 3.88Å; L60-L96 HydrophobicContact CD2-CG 3.98Å
61	K	96.2	Very high	95.1	Very high	72 Å²	72	38.3 Å²	38.3	31%	0.313	22%	0.221	S	C	.	.	H	α-helix	trans	-55.4	-46.1	173.1	-74.1	166.4	-160.4	161.4	0	111.4	F57 D58 S65 F95	F57-K61 VanDerWaalsContact CE1-NZ 3.27Å; F57-K61 VanDerWaalsContact O-CG 3.26Å; F57-K61 WeakPolarHBondContact O-CG 3.32Å; F57-K61 PolarHBondContact O-N 3.01Å; D58-K61 PolarHBondContact O-N 3.14Å; D58-K61 IonicContact OD1-NZ 2.68Å; D58-K61 PolarHBondContact OD1-NZ 3.36Å; K61-S65 WeakPolarHBondContact O-CB 3.46Å; K61-S65 PolarHBondContact O-N 3.05Å; K61-S65 PolarHBondContact O-OG 2.96Å; K61-F95 HydrophobicContact CB-CE1 4.38Å; K61-F95 HydrophobicContact CB-CZ 4.17Å; K61-F95 HydrophobicContact CG-CE1 3.77Å; K61-F95 HydrophobicContact CG-CE2 4.14Å; K61-F95 HydrophobicContact CG-CZ 3.52Å
62	F	95.8	Very high	95.1	Very high	41 Å²	41	40 Å²	40	18%	0.18	23%	0.23	C	C	.	.	H	α-helix	trans	-59	-49.5	177	174.9	-88.4	0	0	0	111.2	L24 F27 S28 L31 D58 F59 L60 I64 S65 N66	L24-F62 HydrophobicContact CD2-CB 3.57Å; L24-F62 HydrophobicContact CD2-CD1 3.66Å; L24-F62 HydrophobicContact CD2-CD2 3.88Å; L24-F62 HydrophobicContact CD2-CE1 4.37Å; L24-F62 HydrophobicContact CD2-CG 3.4Å; F27-F62 AromaticContact CD1-CE1 3.77Å; F27-F62 HydrophobicContact CD1-CE1 3.77Å; F27-F62 HydrophobicContact CE1-CE1 4.19Å; S28-F62 WeakPolarHBondContact OG-CE2 3.4Å; S28-F62 WeakPolarHBondContact OG-CZ 3.49Å; L31-F62 HydrophobicContact CD1-CE1 4.31Å; L31-F62 HydrophobicContact CD1-CZ 4.46Å; D58-F62 WeakPolarHBondContact O-CB 3.49Å; D58-F62 PolarHBondContact O-N 3.38Å; F59-F62 WeakPolarHBondContact O-CB 3.17Å; F59-F62 PolarHBondContact O-N 2.93Å; L60-F62 VanDerWaalsContact C-N 3.29Å; L60-F62 PolarHBondContact O-N 3.11Å; F62-I64 PolarHBondContact O-N 3.35Å; F62-S65 WeakPolarHBondContact CA-OG 3.21Å; F62-S65 PolarHBondContact O-N 3.46Å; F62-S65 PolarHBondContact O-OG 3.22Å; F62-N66 VanDerWaalsContact CE2-ND2 3.3Å; F62-N66 WeakPolarHBondContact CE2-ND2 3.11Å; F62-N66 VanDerWaalsContact CZ-ND2 3.3Å; F62-N66 WeakPolarHBondContact CZ-ND2 3.35Å; F62-N66 PolarHBondContact O-N 3.05Å; F62-N66 VanDerWaalsContact O-N 3.08Å; F62-N66 PolarHBondContact O-ND2 2.86Å
63	L	96.1	Very high	95.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.6	-48.6	-179.7	-71.7	171.4	0	0	0	112.3	F27 I37 S47 T48 A51 F59 L60 N66 G67 A68	F27-L63 HydrophobicContact CD1-CD2 4.48Å; F27-L63 HydrophobicContact CE1-CD2 3.5Å; F27-L63 HydrophobicContact CE2-CD2 4.33Å; F27-L63 HydrophobicContact CZ-CD2 3.41Å; F27-L63 VanDerWaalsContact CZ-CD2 3.41Å; I37-L63 HydrophobicContact CD1-CD2 4.01Å; I37-L63 HydrophobicContact CG1-CD2 3.93Å; S47-L63 VanDerWaalsContact O-CD1 3.24Å; S47-L63 WeakPolarHBondContact O-CD1 3.45Å; T48-L63 HydrophobicContact CG2-CB 3.94Å; T48-L63 HydrophobicContact CG2-CD1 3.94Å; A51-L63 HydrophobicContact CB-CD1 4.03Å; F59-L63 HydrophobicContact CD1-CD1 3.65Å; F59-L63 HydrophobicContact CD1-CD2 4.47Å; F59-L63 HydrophobicContact CD1-CG 3.87Å; F59-L63 HydrophobicContact CE1-CD1 3.78Å; F59-L63 HydrophobicContact CE1-CD2 3.93Å; F59-L63 HydrophobicContact CE1-CG 3.84Å; F59-L63 WeakPolarHBondContact O-CG 3.45Å; F59-L63 PolarHBondContact O-N 3.1Å; L60-L63 PolarHBondContact O-N 3.29Å; L63-N66 CarbonylContact O-C 3.55Å; L63-N66 PolarHBondContact O-N 2.7Å; L63-N66 VanDerWaalsContact O-N 3.15Å; L63-G67 PolarHBondContact O-N 2.77Å; L63-A68 HydrophobicContact CB-CB 3.99Å; L63-A68 VanDerWaalsContact O-CB 3.27Å; L63-A68 WeakPolarHBondContact O-CB 3.48Å; L63-A68 PolarHBondContact O-N 3.42Å; L63-A68 VanDerWaalsContact O-N 3.08Å
64	I	96.4	Very high	95.1	Very high	23 Å²	23	41.8 Å²	41.8	12%	0.118	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-42.5	179.8	-69.3	-179	0	0	0	111	L60 F62 N66 G67 I70 F95 L96 N99	L60-I64 HydrophobicContact CD1-CD1 4.08Å; L60-I64 HydrophobicContact CD1-CG1 4.29Å; L60-I64 HydrophobicContact CD2-CD1 4.47Å; L60-I64 HydrophobicContact CG-CD1 4.03Å; L60-I64 PolarHBondContact O-N 3.39Å; F62-I64 PolarHBondContact O-N 3.35Å; I64-N66 PolarHBondContact O-N 2.76Å; I64-G67 PolarHBondContact O-N 2.77Å; I64-I70 HydrophobicContact CD1-CD1 3.84Å; I64-I70 HydrophobicContact CD1-CG1 3.88Å; I64-I70 HydrophobicContact CG1-CD1 4.06Å; I64-I70 HydrophobicContact CG1-CG1 3.9Å; I64-I70 HydrophobicContact CG2-CD1 4Å; I64-F95 HydrophobicContact CD1-CD1 4.35Å; I64-F95 HydrophobicContact CD1-CE1 3.86Å; I64-L96 HydrophobicContact CD1-CD2 4.23Å; I64-N99 HydrophobicContact CD1-CB 4.37Å; I64-N99 HydrophobicContact CG2-CB 4.11Å
65	S	95.1	Very high	95	Very high	94 Å²	94	41.8 Å²	41.8	66%	0.657	24%	0.237	S	C	*	.	H	α-helix	trans	-66.1	-17.8	176	65.2	0	0	0	0	114.5	K61 F62	K61-S65 WeakPolarHBondContact O-CB 3.46Å; K61-S65 PolarHBondContact O-N 3.05Å; K61-S65 PolarHBondContact O-OG 2.96Å; F62-S65 WeakPolarHBondContact CA-OG 3.21Å; F62-S65 PolarHBondContact O-N 3.46Å; F62-S65 PolarHBondContact O-OG 3.22Å
66	N	93.9	Very high	94.7	Very high	78 Å²	78	40.1 Å²	40.1	42%	0.417	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	9.7	172.7	-74.3	-95.8	0	0	0	113.3	L31 I37 F62 L63 I64	L31-N66 HydrophobicContact CD1-CB 4.34Å; I37-N66 HydrophobicContact CD1-CB 3.6Å; F62-N66 VanDerWaalsContact CE2-ND2 3.3Å; F62-N66 WeakPolarHBondContact CE2-ND2 3.11Å; F62-N66 VanDerWaalsContact CZ-ND2 3.3Å; F62-N66 WeakPolarHBondContact CZ-ND2 3.35Å; F62-N66 PolarHBondContact O-N 3.05Å; F62-N66 VanDerWaalsContact O-N 3.08Å; F62-N66 PolarHBondContact O-ND2 2.86Å; L63-N66 CarbonylContact O-C 3.55Å; L63-N66 PolarHBondContact O-N 2.7Å; L63-N66 VanDerWaalsContact O-N 3.15Å; I64-N66 PolarHBondContact O-N 2.76Å
67	G	93	Very high	94.5	Very high	57 Å²	57	38.5 Å²	38.5	59%	0.588	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.4	27.1	174.1	0	0	0	0	0	115.2	L63 I64	L63-G67 PolarHBondContact O-N 2.77Å; I64-G67 PolarHBondContact O-N 2.77Å
68	A	96	Very high	94.6	Very high	8 Å²	8	36.4 Å²	36.4	7%	0.066	21%	0.207	C	C	.	.			trans	-62.9	139.9	168.2	0	0	0	0	0	111.3	I37 T48 L63 I70	I37-A68 HydrophobicContact CD1-CB 3.83Å; I37-A68 HydrophobicContact CG1-CB 3.91Å; I37-A68 HydrophobicContact CG2-CB 4.38Å; T48-A68 HydrophobicContact CG2-CB 3.55Å; L63-A68 HydrophobicContact CB-CB 3.99Å; L63-A68 VanDerWaalsContact O-CB 3.27Å; L63-A68 WeakPolarHBondContact O-CB 3.48Å; L63-A68 PolarHBondContact O-N 3.42Å; L63-A68 VanDerWaalsContact O-N 3.08Å; A68-I70 PolarHBondContact O-N 3.47Å
69	D	96	Very high	94.7	Very high	64 Å²	64	31.6 Å²	31.6	34%	0.342	18%	0.181	S	C	.	.			trans	-71.5	123.9	174.4	-172.1	-0.4	0	0	0	110.2	N38 T48 N71 L72	N38-D69 PolarHBondContact OD1-N 3Å; T48-D69 PolarHBondContact OG1-O 3.47Å; D69-N71 WeakPolarHBondContact OD1-CA 3.22Å; D69-N71 PolarHBondContact OD1-N 3.06Å; D69-L72 HydrophobicContact CB-CB 4.07Å; D69-L72 PolarHBondContact OD1-N 3.15Å; D69-L72 WeakPolarHBondContact OD2-CD1 3.34Å; D69-L72 PolarHBondContact OD2-N 2.75Å
70	I	96.5	Very high	94.7	Very high	18 Å²	18	31.5 Å²	31.5	9%	0.092	18%	0.181	C	C	.	.	S	Bend	trans	-84.2	-20.8	-179.1	-58.3	169.5	0	0	0	110.6	I64 A68 P80 L96 N99 A101	I64-I70 HydrophobicContact CD1-CD1 3.84Å; I64-I70 HydrophobicContact CD1-CG1 3.88Å; I64-I70 HydrophobicContact CG1-CD1 4.06Å; I64-I70 HydrophobicContact CG1-CG1 3.9Å; I64-I70 HydrophobicContact CG2-CD1 4Å; A68-I70 PolarHBondContact O-N 3.47Å; I70-P80 WeakPolarHBondContact O-CD 3.26Å; I70-L96 HydrophobicContact CG2-CD2 3.84Å; I70-N99 HydrophobicContact CD1-CB 3.72Å; I70-N99 VanDerWaalsContact CD1-O 3.24Å; I70-N99 WeakPolarHBondContact CD1-O 3.42Å; I70-A101 HydrophobicContact CG2-CB 3.55Å
71	N	96.8	Very high	94.8	Very high	45 Å²	45	31.5 Å²	31.5	24%	0.241	18%	0.181	C	C	.	.	S	Bend	trans	-113.5	4.4	-173.4	-67.7	-59.5	0	0	0	113.3	D69 Q73 G100 S102 I105	D69-N71 WeakPolarHBondContact OD1-CA 3.22Å; D69-N71 PolarHBondContact OD1-N 3.06Å; N71-Q73 PolarHBondContact O-N 3.15Å; N71-G100 PolarHBondContact ND2-O 3.49Å; N71-S102 PolarHBondContact OD1-N 2.92Å; N71-I105 HydrophobicContact CB-CD1 3.94Å
72	L	95.6	Very high	94.8	Very high	35 Å²	35	28 Å²	28	18%	0.183	17%	0.166	C	C	.	.			trans	-60.6	138.4	170.6	-151.6	78.5	0	0	0	109.2	N38 Q40 T46 H49 D69	N38-L72 HydrophobicContact CB-CD2 4.39Å; Q40-L72 HydrophobicContact CG-CD2 3.99Å; T46-L72 HydrophobicContact CG2-CB 4.39Å; T46-L72 HydrophobicContact CG2-CD2 3.45Å; T46-L72 VanDerWaalsContact CG2-CD2 3.45Å; T46-L72 HydrophobicContact CG2-CG 4.48Å; H49-L72 PolarHBondContact CE1-O 3.18Å; D69-L72 HydrophobicContact CB-CB 4.07Å; D69-L72 PolarHBondContact OD1-N 3.15Å; D69-L72 WeakPolarHBondContact OD2-CD1 3.34Å; D69-L72 PolarHBondContact OD2-N 2.75Å
73	Q	94.7	Very high	94.8	Very high	38 Å²	38	26.1 Å²	26.1	18%	0.178	16%	0.158	C	C	.	.			trans	-94.7	141.8	177.3	-73.4	178.6	-42.3	0	0	110.5	Q40 N71 G77 W78 T79 I105 L106 R658	Q40-Q73 PolarHBondContact NE2-O 3.33Å; N71-Q73 PolarHBondContact O-N 3.15Å; Q73-G77 WeakPolarHBondContact CG-O 3.45Å; Q73-G77 PolarHBondContact NE2-O 2.97Å; Q73-G77 VanDerWaalsContact NE2-O 3.16Å; Q73-W78 CarbonylContact C-O 3.58Å; Q73-W78 WeakPolarHBondContact CA-O 3.34Å; Q73-T79 HydrophobicContact CG-CG2 4.02Å; Q73-I105 HydrophobicContact CG-CG2 4.15Å; Q73-L106 PolarHBondContact NE2-O 2.97Å; Q73-L106 VanDerWaalsContact NE2-O 3.14Å; Q73-R658 VanDerWaalsContact CD-NH1 3.33Å
74	D	93.8	Very high	94.8	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	16%	0.158	C	C	.	.			trans	-72.3	-174.1	162.9	74.7	9.8	0	0	0	111.6	G44 L45 E76 G77 W78	G44-D74 WeakPolarHBondContact O-CA 3.35Å; L45-D74 HydrophobicContact CD2-CB 3.83Å; L45-D74 WeakPolarHBondContact CD2-OD2 3.49Å; D74-E76 PolarHBondContact O-N 2.72Å; D74-E76 WeakPolarHBondContact OD1-CA 3.39Å; D74-E76 WeakPolarHBondContact OD1-CB 3.37Å; D74-E76 PolarHBondContact OD1-N 3.13Å; D74-G77 PolarHBondContact O-N 3.14Å; D74-G77 PolarHBondContact OD1-N 3.29Å; D74-G77 VanDerWaalsContact OD1-N 3.12Å; D74-W78 PolarHBondContact N-O 2.84Å; D74-W78 PolarHBondContact OD1-N 3.41Å; D74-W78 WeakPolarHBondContact OD2-CB 3.18Å
75	H	89.2	Confident	94.8	Very high	44 Å²	44	25 Å²	25	20%	0.204	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.5	-176.9	-74.7	169.3	0	0	0	113.1	A42 D43 G44 G77 R168 M663	A42-H75 PolarHBondContact O-CE1 3.27Å; A42-H75 PolarHBondContact O-ND1 3.29Å; D43-H75 VanDerWaalsContact C-CG 3.46Å; D43-H75 VanDerWaalsContact C-ND1 3.34Å; D43-H75 VanDerWaalsContact O-CB 3.25Å; D43-H75 WeakPolarHBondContact O-CB 3.24Å; D43-H75 PolarHBondContact O-N 3.19Å; G44-H75 PolarHBondContact N-ND1 2.91Å; H75-G77 VanDerWaalsContact C-N 3.32Å; H75-R168 PolarHBondContact O-NH1 2.96Å; H75-R168 PolarHBondContact O-NH2 3.33Å; H75-M663 HydrophobicContact CB-CE 4.02Å; H75-M663 HydrophobicContact CB-SD 3.65Å
76	E	87.2	Confident	94.8	Very high	35 Å²	35	21.3 Å²	21.3	16%	0.164	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	4.8	179.5	-66.5	155.7	-172.7	0	0	112.1	D74 W78 V108 T671	D74-E76 PolarHBondContact O-N 2.72Å; D74-E76 WeakPolarHBondContact OD1-CA 3.39Å; D74-E76 WeakPolarHBondContact OD1-CB 3.37Å; D74-E76 PolarHBondContact OD1-N 3.13Å; E76-W78 PolarHBondContact O-N 2.76Å; E76-V108 WeakPolarHBondContact O-CB 3.43Å; E76-V108 WeakPolarHBondContact O-CG2 3.19Å; E76-V108 PolarHBondContact O-N 3.29Å; E76-T671 HydrophobicContact CG-CG2 4.25Å; E76-T671 WeakPolarHBondContact OE1-CB 3.45Å; E76-T671 WeakPolarHBondContact OE2-CB 3.47Å; E76-T671 WeakPolarHBondContact OE2-CG2 3.4Å; E76-T671 PolarHBondContact OE2-OG1 3.33Å
77	G	91.7	Very high	94.8	Very high	3 Å²	3	19.4 Å²	19.4	3%	0.031	12%	0.117	C	C	.	.	S	Bend	trans	77.9	-0.7	-179	0	0	0	0	0	113.8	Q73 D74 H75	Q73-G77 WeakPolarHBondContact CG-O 3.45Å; Q73-G77 PolarHBondContact NE2-O 2.97Å; Q73-G77 VanDerWaalsContact NE2-O 3.16Å; D74-G77 PolarHBondContact O-N 3.14Å; D74-G77 PolarHBondContact OD1-N 3.29Å; D74-G77 VanDerWaalsContact OD1-N 3.12Å; H75-G77 VanDerWaalsContact C-N 3.32Å
78	W	95.2	Very high	94.8	Very high	3 Å²	3	17.4 Å²	17.4	1%	0.011	10%	0.096	C	C	.	.			trans	-68	156.8	176.2	-78.4	43.4	0	0	0	109.7	H49 Q73 D74 E76 H82 S107 V116 T673 Q674	H49-W78 PolarHBondContact NE2-O 3Å; H49-W78 VanDerWaalsContact NE2-O 3.16Å; Q73-W78 CarbonylContact C-O 3.58Å; Q73-W78 WeakPolarHBondContact CA-O 3.34Å; D74-W78 PolarHBondContact N-O 2.84Å; D74-W78 PolarHBondContact OD1-N 3.41Å; D74-W78 WeakPolarHBondContact OD2-CB 3.18Å; E76-W78 PolarHBondContact O-N 2.76Å; W78-H82 HydrophobicContact CB-CB 3.93Å; W78-H82 HydrophobicContact CD2-CB 3.77Å; W78-H82 HydrophobicContact CE3-CB 3.67Å; W78-H82 HydrophobicContact CG-CB 3.91Å; W78-H82 HydrophobicContact CZ3-CB 4.46Å; W78-S107 VanDerWaalsContact CD1-CB 3.43Å; W78-V116 HydrophobicContact CH2-CG1 3.31Å; W78-V116 HydrophobicContact CH2-CG2 4.41Å; W78-V116 HydrophobicContact CZ2-CG1 3.76Å; W78-V116 HydrophobicContact CZ2-CG2 4.07Å; W78-V116 HydrophobicContact CZ3-CG1 3.93Å; W78-T673 HydrophobicContact CE3-CG2 3.62Å; W78-T673 HydrophobicContact CZ3-CG2 3.6Å; W78-Q674 HydrophobicContact CH2-CG 3.86Å; W78-Q674 HydrophobicContact CZ2-CG 4.14Å
79	T	96.8	Very high	94.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.			trans	-120.3	168.3	174.9	64.4	0	0	0	0	109.5	H49 Q73 L81 H82 A83 I105	H49-T79 VanDerWaalsContact NE2-CA 3.28Å; H49-T79 WeakPolarHBondContact NE2-CA 3.47Å; Q73-T79 HydrophobicContact CG-CG2 4.02Å; T79-L81 PolarHBondContact O-N 2.95Å; T79-L81 PolarHBondContact OG1-N 3.23Å; T79-H82 PolarHBondContact N-ND1 3.11Å; T79-H82 VanDerWaalsContact N-ND1 3.16Å; T79-H82 WeakPolarHBondContact O-CB 3.35Å; T79-H82 PolarHBondContact O-N 2.95Å; T79-H82 PolarHBondContact OG1-N 2.92Å; T79-H82 PolarHBondContact OG1-ND1 3.34Å; T79-A83 PolarHBondContact O-N 3.42Å; T79-I105 HydrophobicContact CG2-CB 4.18Å; T79-I105 HydrophobicContact CG2-CD1 3.99Å; T79-I105 HydrophobicContact CG2-CG2 3.62Å
80	P	97.1	Very high	94.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-52.4	-26.6	171.8	-28.2	36.6	0	0	0	113.7	C52 I70 A84 L96	C52-P80 PolarHBondContact SG-O 3.25Å; C52-P80 VanDerWaalsContact SG-O 3.34Å; I70-P80 WeakPolarHBondContact O-CD 3.26Å; P80-A84 WeakPolarHBondContact O-CB 3.41Å; P80-A84 PolarHBondContact O-N 3.07Å; P80-L96 HydrophobicContact CB-CD2 4.16Å
81	L	97.8	Very high	94.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-76.9	-35.7	174.5	-173	59.5	0	0	0	113.5	T79 A83 A84 A85 A93 L96 I97 A101 L103 P113 L126	T79-L81 PolarHBondContact O-N 2.95Å; T79-L81 PolarHBondContact OG1-N 3.23Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-A84 PolarHBondContact O-N 2.56Å; L81-A85 VanDerWaalsContact O-CB 3.25Å; L81-A85 WeakPolarHBondContact O-CB 3.38Å; L81-A85 PolarHBondContact O-N 2.75Å; L81-A93 HydrophobicContact CD1-CB 3.95Å; L81-L96 HydrophobicContact CB-CD1 4.32Å; L81-L96 HydrophobicContact CD1-CB 4.1Å; L81-L96 HydrophobicContact CD1-CD1 4.05Å; L81-I97 HydrophobicContact CD1-CD1 4.34Å; L81-I97 HydrophobicContact CD1-CG1 4.14Å; L81-I97 HydrophobicContact CD2-CD1 4.5Å; L81-I97 HydrophobicContact CD2-CG1 3.95Å; L81-A101 HydrophobicContact CB-CB 4.25Å; L81-A101 HydrophobicContact CD2-CB 3.92Å; L81-L103 HydrophobicContact CD2-CD2 3.77Å; L81-L103 HydrophobicContact CD2-CG 4.31Å; L81-P113 HydrophobicContact CB-CG 4.45Å; L81-P113 HydrophobicContact CD2-CB 4.4Å; L81-P113 HydrophobicContact CD2-CG 4.15Å; L81-P113 HydrophobicContact CG-CB 4.01Å; L81-P113 HydrophobicContact CG-CG 4.07Å; L81-L126 HydrophobicContact CD1-CD2 4.39Å
82	H	97	Very high	94.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.5	-44.8	169.2	-68.9	83.6	0	0	0	110.6	W78 T79 A85 S86 I105 E111 P113	W78-H82 HydrophobicContact CB-CB 3.93Å; W78-H82 HydrophobicContact CD2-CB 3.77Å; W78-H82 HydrophobicContact CE3-CB 3.67Å; W78-H82 HydrophobicContact CG-CB 3.91Å; W78-H82 HydrophobicContact CZ3-CB 4.46Å; T79-H82 PolarHBondContact N-ND1 3.11Å; T79-H82 VanDerWaalsContact N-ND1 3.16Å; T79-H82 WeakPolarHBondContact O-CB 3.35Å; T79-H82 PolarHBondContact O-N 2.95Å; T79-H82 PolarHBondContact OG1-N 2.92Å; T79-H82 PolarHBondContact OG1-ND1 3.34Å; H82-A85 PolarHBondContact O-N 2.84Å; H82-S86 WeakPolarHBondContact O-CB 3.4Å; H82-S86 PolarHBondContact O-N 3.11Å; H82-I105 PolarHBondContact CE1-O 3Å; H82-I105 PolarHBondContact NE2-O 3.34Å; H82-E111 PolarHBondContact NE2-O 3.4Å; H82-P113 WeakPolarHBondContact NE2-CD 3.36Å
83	A	95.4	Very high	94.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.8	-47.6	175.9	0	0	0	0	0	112.2	C52 I53 T79 L81 A85 S86 V87	C52-A83 HydrophobicContact CB-CB 4.06Å; I53-A83 HydrophobicContact CG1-CB 3.89Å; T79-A83 PolarHBondContact O-N 3.42Å; L81-A83 VanDerWaalsContact C-N 3.34Å; A83-A85 VanDerWaalsContact C-N 3.33Å; A83-A85 PolarHBondContact O-N 3.3Å; A83-S86 PolarHBondContact O-N 3.23Å; A83-V87 WeakPolarHBondContact O-CG2 3.29Å; A83-V87 PolarHBondContact O-N 3.06Å; A83-V87 VanDerWaalsContact O-N 3.1Å
84	A	96.3	Very high	94.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.7	-37.5	177.1	0	0	0	0	0	113	C52 P80 L81 V87 G88 C89 L92 L96 M122	C52-A84 HydrophobicContact CB-CB 4.29Å; P80-A84 WeakPolarHBondContact O-CB 3.41Å; P80-A84 PolarHBondContact O-N 3.07Å; L81-A84 PolarHBondContact O-N 2.56Å; A84-V87 PolarHBondContact O-N 3.1Å; A84-G88 PolarHBondContact O-N 3.08Å; A84-C89 PolarHBondContact O-N 3.1Å; A84-L92 HydrophobicContact CB-CB 4.09Å; A84-L96 HydrophobicContact CB-CD1 3.64Å; A84-M122 WeakPolarHBondContact O-CE 3.4Å
85	A	96.6	Very high	95.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.9	-44.3	176.2	0	0	0	0	0	112.6	L81 H82 A83 V87 G88 P113 A117 M122 L126	L81-A85 VanDerWaalsContact O-CB 3.25Å; L81-A85 WeakPolarHBondContact O-CB 3.38Å; L81-A85 PolarHBondContact O-N 2.75Å; H82-A85 PolarHBondContact O-N 2.84Å; A83-A85 VanDerWaalsContact C-N 3.33Å; A83-A85 PolarHBondContact O-N 3.3Å; A85-V87 PolarHBondContact O-N 3.29Å; A85-G88 PolarHBondContact O-N 2.91Å; A85-G88 VanDerWaalsContact O-N 3.08Å; A85-P113 HydrophobicContact CB-CB 4.22Å; A85-P113 WeakPolarHBondContact CB-O 3.48Å; A85-A117 HydrophobicContact CB-CB 4.38Å; A85-M122 HydrophobicContact CB-CG 4.24Å; A85-M122 HydrophobicContact CB-SD 4.26Å; A85-L126 HydrophobicContact CB-CD1 3.85Å
86	S	95.4	Very high	95.5	Very high	17 Å²	17	18.7 Å²	18.7	12%	0.119	10%	0.095	C	C	.	.	H	α-helix	trans	-60.1	-33.3	175.3	-165	0	0	0	0	113.1	H82 A83	H82-S86 WeakPolarHBondContact O-CB 3.4Å; H82-S86 PolarHBondContact O-N 3.11Å; A83-S86 PolarHBondContact O-N 3.23Å
87	V	93.3	Very high	96	Very high	38 Å²	38	18.1 Å²	18.1	23%	0.23	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-13.6	177.6	176.5	0	0	0	0	113	V55 A83 A84 A85 C89 V677	V55-V87 HydrophobicContact CG2-CG1 3.54Å; A83-V87 WeakPolarHBondContact O-CG2 3.29Å; A83-V87 PolarHBondContact O-N 3.06Å; A83-V87 VanDerWaalsContact O-N 3.1Å; A84-V87 PolarHBondContact O-N 3.1Å; A85-V87 PolarHBondContact O-N 3.29Å; V87-C89 VanDerWaalsContact C-N 3.28Å; V87-C89 HydrophobicContact CG1-CB 4.38Å; V87-C89 PolarHBondContact O-N 2.99Å; V87-V677 HydrophobicContact CG2-CB 4.23Å; V87-V677 HydrophobicContact CG2-CG1 3.78Å; V87-V677 HydrophobicContact CG2-CG2 3.45Å; V87-V677 VanDerWaalsContact CG2-CG2 3.45Å
88	G	93.3	Very high	96.2	Very high	14 Å²	14	25.3 Å²	25.3	14%	0.144	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	3.1	-178.3	0	0	0	0	0	115.3	A84 A85 C90 D119	A84-G88 PolarHBondContact O-N 3.08Å; A85-G88 PolarHBondContact O-N 2.91Å; A85-G88 VanDerWaalsContact O-N 3.08Å; G88-C90 PolarHBondContact O-N 2.84Å; G88-C90 PolarHBondContact O-SG 3.45Å; G88-D119 VanDerWaalsContact CA-OD2 3.31Å; G88-D119 WeakPolarHBondContact CA-OD2 3.13Å
89	C	94.3	Very high	96.3	Very high	27 Å²	27	28.5 Å²	28.5	18%	0.182	14%	0.143	C	C	.	.			trans	-78.5	88.7	-174.5	-170.6	0	0	0	0	112.4	V55 A84 V87 E91 L92 A93 M122	V55-C89 HydrophobicContact CG1-CB 4.31Å; A84-C89 PolarHBondContact O-N 3.1Å; V87-C89 VanDerWaalsContact C-N 3.28Å; V87-C89 HydrophobicContact CG1-CB 4.38Å; V87-C89 PolarHBondContact O-N 2.99Å; C89-E91 PolarHBondContact O-N 3.43Å; C89-L92 HydrophobicContact CB-CB 4.15Å; C89-L92 HydrophobicContact CB-CD1 3.86Å; C89-L92 HydrophobicContact CB-CG 4.33Å; C89-L92 PolarHBondContact O-N 3.46Å; C89-L92 VanDerWaalsContact O-N 3.15Å; C89-A93 PolarHBondContact O-N 3.49Å; C89-M122 WeakPolarHBondContact O-CE 3.32Å
90	C	95.9	Very high	96.2	Very high	10 Å²	10	30.6 Å²	30.6	7%	0.068	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-24.1	-176	-63.6	0	0	0	0	113.9	G88 R94 E121 M122	G88-C90 PolarHBondContact O-N 2.84Å; G88-C90 PolarHBondContact O-SG 3.45Å; C90-R94 VanDerWaalsContact CB-NH2 3.29Å; C90-R94 WeakPolarHBondContact O-CB 3.45Å; C90-R94 VanDerWaalsContact O-CG 3.26Å; C90-R94 WeakPolarHBondContact O-CG 3.39Å; C90-R94 PolarHBondContact O-N 2.86Å; C90-R94 PolarHBondContact O-NE 2.88Å; C90-R94 VanDerWaalsContact O-NE 3.15Å; C90-E121 HydrophobicContact CB-CG 4.49Å; C90-E121 WeakPolarHBondContact CB-OE1 3.45Å; C90-M122 HydrophobicContact CB-CE 4.41Å; C90-M122 VanDerWaalsContact SG-CA 3.59Å; C90-M122 PolarHBondContact SG-N 2.93Å; C90-M122 VanDerWaalsContact SG-N 3.43Å
91	E	96.2	Very high	96.2	Very high	112 Å²	112	30.7 Å²	30.7	52%	0.523	17%	0.166	S	C	.	.	H	α-helix	trans	-71.5	-44.2	173.8	-173.3	170.1	-166.8	0	0	112.2	F57 C89 R94 F95	F57-E91 HydrophobicContact CD1-CG 4.42Å; F57-E91 HydrophobicContact CE1-CG 3.9Å; F57-E91 WeakPolarHBondContact CE1-OE1 3.35Å; F57-E91 HydrophobicContact CE2-CG 4.11Å; F57-E91 HydrophobicContact CZ-CG 3.73Å; C89-E91 PolarHBondContact O-N 3.43Å; E91-R94 PolarHBondContact O-N 2.64Å; E91-F95 PolarHBondContact O-N 3.44Å
92	L	96.9	Very high	96.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-45.3	172.9	-77.8	166.8	0	0	0	111.4	V55 F57 L60 A84 C89 F95 L96	V55-L92 HydrophobicContact CB-CD1 4.43Å; V55-L92 HydrophobicContact CG1-CD1 4.04Å; F57-L92 HydrophobicContact CB-CD2 4.44Å; F57-L92 HydrophobicContact CD2-CD2 3.81Å; F57-L92 HydrophobicContact CD2-CG 4.41Å; L60-L92 HydrophobicContact CB-CD2 4.24Å; L60-L92 HydrophobicContact CD2-CD2 3.44Å; L60-L92 VanDerWaalsContact CD2-CD2 3.44Å; L60-L92 HydrophobicContact CG-CD2 4.47Å; A84-L92 HydrophobicContact CB-CB 4.09Å; C89-L92 HydrophobicContact CB-CB 4.15Å; C89-L92 HydrophobicContact CB-CD1 3.86Å; C89-L92 HydrophobicContact CB-CG 4.33Å; C89-L92 PolarHBondContact O-N 3.46Å; C89-L92 VanDerWaalsContact O-N 3.15Å; L92-F95 PolarHBondContact O-N 3.26Å; L92-L96 WeakPolarHBondContact O-CB 3.27Å; L92-L96 WeakPolarHBondContact O-CD1 3.3Å; L92-L96 VanDerWaalsContact O-CG 3.24Å; L92-L96 WeakPolarHBondContact O-CG 3.39Å; L92-L96 PolarHBondContact O-N 3.42Å
93	A	97.5	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-42.6	177.6	0	0	0	0	0	112.5	L81 C89 L96 I97 M122 L125	L81-A93 HydrophobicContact CD1-CB 3.95Å; C89-A93 PolarHBondContact O-N 3.49Å; A93-L96 PolarHBondContact O-N 2.67Å; A93-I97 WeakPolarHBondContact O-CD1 3.47Å; A93-I97 VanDerWaalsContact O-CG1 3.22Å; A93-I97 WeakPolarHBondContact O-CG1 3.49Å; A93-I97 PolarHBondContact O-N 2.93Å; A93-M122 HydrophobicContact CB-CE 3.72Å; A93-M122 HydrophobicContact CB-SD 3.56Å; A93-M122 VanDerWaalsContact CB-SD 3.56Å; A93-L125 HydrophobicContact CB-CD2 3.69Å
94	R	97.1	Very high	96	Very high	93 Å²	93	34.6 Å²	34.6	35%	0.351	19%	0.193	S	C	.	.	H	α-helix	trans	-55.9	-53.7	173	-83.5	179.5	-83	-106.4	5	111.4	C90 E91 L96 I97 E98 E121 L125	C90-R94 VanDerWaalsContact CB-NH2 3.29Å; C90-R94 WeakPolarHBondContact O-CB 3.45Å; C90-R94 VanDerWaalsContact O-CG 3.26Å; C90-R94 WeakPolarHBondContact O-CG 3.39Å; C90-R94 PolarHBondContact O-N 2.86Å; C90-R94 PolarHBondContact O-NE 2.88Å; C90-R94 VanDerWaalsContact O-NE 3.15Å; E91-R94 PolarHBondContact O-N 2.64Å; R94-L96 PolarHBondContact O-N 3.13Å; R94-I97 PolarHBondContact O-N 3.14Å; R94-E98 WeakPolarHBondContact O-CB 3.33Å; R94-E98 WeakPolarHBondContact O-CG 3.46Å; R94-E98 PolarHBondContact O-N 3.18Å; R94-E121 IonicContact CZ-OE1 3.23Å; R94-E121 VanDerWaalsContact CZ-OE1 3.23Å; R94-E121 IonicContact NH1-OE1 2.76Å; R94-E121 PolarHBondContact NH1-OE1 2.95Å; R94-E121 IonicContact NH2-OE1 2.75Å; R94-E121 PolarHBondContact NH2-OE1 3.48Å; R94-L125 HydrophobicContact CG-CD1 3.41Å; R94-L125 VanDerWaalsContact CG-CD1 3.41Å; R94-L125 HydrophobicContact CG-CD2 3.89Å; R94-L125 HydrophobicContact CG-CG 4.27Å
95	F	97.7	Very high	95.8	Very high	38 Å²	38	35.9 Å²	35.9	17%	0.167	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-39.6	-178.4	-178.9	-110.9	0	0	0	113.2	F57 L60 K61 I64 E91 L92 E98 N99	F57-F95 HydrophobicContact CD2-CD1 4.49Å; F57-F95 HydrophobicContact CE2-CB 3.59Å; F57-F95 AromaticContact CE2-CD1 3.9Å; F57-F95 HydrophobicContact CE2-CD1 3.9Å; F57-F95 HydrophobicContact CE2-CD2 4.3Å; F57-F95 AromaticContact CE2-CG 3.68Å; F57-F95 HydrophobicContact CE2-CG 3.68Å; F57-F95 HydrophobicContact CZ-CB 4.19Å; F57-F95 HydrophobicContact CZ-CD2 4.5Å; F57-F95 HydrophobicContact CZ-CG 4.28Å; L60-F95 HydrophobicContact CD2-CD1 4.02Å; L60-F95 HydrophobicContact CD2-CE1 4.44Å; L60-F95 HydrophobicContact CG-CD1 4.42Å; L60-F95 HydrophobicContact CG-CE1 4.35Å; K61-F95 HydrophobicContact CB-CE1 4.38Å; K61-F95 HydrophobicContact CB-CZ 4.17Å; K61-F95 HydrophobicContact CG-CE1 3.77Å; K61-F95 HydrophobicContact CG-CE2 4.14Å; K61-F95 HydrophobicContact CG-CZ 3.52Å; I64-F95 HydrophobicContact CD1-CD1 4.35Å; I64-F95 HydrophobicContact CD1-CE1 3.86Å; E91-F95 PolarHBondContact O-N 3.44Å; L92-F95 PolarHBondContact O-N 3.26Å; F95-E98 PolarHBondContact O-N 3.44Å; F95-N99 WeakPolarHBondContact CD2-ND2 3.42Å; F95-N99 WeakPolarHBondContact CE2-ND2 3.46Å; F95-N99 PolarHBondContact O-N 3.43Å; F95-N99 PolarHBondContact O-ND2 2.85Å
96	L	97.8	Very high	95.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-49.2	174.2	-76.3	166.2	0	0	0	111.6	L60 I64 I70 P80 L81 A84 L92 A93 R94 E98 N99 G100 A101	L60-L96 HydrophobicContact CD1-CD2 4.37Å; L60-L96 HydrophobicContact CD2-CD2 3.88Å; L60-L96 HydrophobicContact CD2-CG 3.98Å; I64-L96 HydrophobicContact CD1-CD2 4.23Å; I70-L96 HydrophobicContact CG2-CD2 3.84Å; P80-L96 HydrophobicContact CB-CD2 4.16Å; L81-L96 HydrophobicContact CB-CD1 4.32Å; L81-L96 HydrophobicContact CD1-CB 4.1Å; L81-L96 HydrophobicContact CD1-CD1 4.05Å; A84-L96 HydrophobicContact CB-CD1 3.64Å; L92-L96 WeakPolarHBondContact O-CB 3.27Å; L92-L96 WeakPolarHBondContact O-CD1 3.3Å; L92-L96 VanDerWaalsContact O-CG 3.24Å; L92-L96 WeakPolarHBondContact O-CG 3.39Å; L92-L96 PolarHBondContact O-N 3.42Å; A93-L96 PolarHBondContact O-N 2.67Å; R94-L96 PolarHBondContact O-N 3.13Å; L96-E98 PolarHBondContact O-N 3.45Å; L96-N99 CarbonylContact O-C 3.54Å; L96-N99 PolarHBondContact O-N 3.48Å; L96-G100 PolarHBondContact O-N 2.9Å; L96-A101 VanDerWaalsContact C-CB 3.46Å; L96-A101 HydrophobicContact CB-CB 3.84Å; L96-A101 WeakPolarHBondContact O-CB 3.21Å; L96-A101 PolarHBondContact O-N 3.06Å
97	I	97.4	Very high	95.4	Very high	24 Å²	24	36.5 Å²	36.5	12%	0.123	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-41.9	179.9	-66	162.9	0	0	0	110.8	L81 A93 R94 N99 G100 L103 L125 L126	L81-I97 HydrophobicContact CD1-CD1 4.34Å; L81-I97 HydrophobicContact CD1-CG1 4.14Å; L81-I97 HydrophobicContact CD2-CD1 4.5Å; L81-I97 HydrophobicContact CD2-CG1 3.95Å; A93-I97 WeakPolarHBondContact O-CD1 3.47Å; A93-I97 VanDerWaalsContact O-CG1 3.22Å; A93-I97 WeakPolarHBondContact O-CG1 3.49Å; A93-I97 PolarHBondContact O-N 2.93Å; R94-I97 PolarHBondContact O-N 3.14Å; I97-N99 VanDerWaalsContact C-N 3.26Å; I97-N99 PolarHBondContact O-N 3.16Å; I97-G100 PolarHBondContact O-N 3.16Å; I97-G100 VanDerWaalsContact O-N 3.1Å; I97-L103 HydrophobicContact CD1-CD2 4.11Å; I97-L103 HydrophobicContact CG1-CD2 4.37Å; I97-L125 HydrophobicContact CD1-CD2 4.5Å; I97-L126 HydrophobicContact CD1-CD2 3.9Å
98	E	96.2	Very high	95	Very high	153 Å²	153	35.7 Å²	35.7	72%	0.715	20%	0.197	S	C	*	.	H	α-helix	trans	-63.7	-28.4	176.6	-73.9	171	-175.7	0	0	113.3	R94 F95 L96	R94-E98 WeakPolarHBondContact O-CB 3.33Å; R94-E98 WeakPolarHBondContact O-CG 3.46Å; R94-E98 PolarHBondContact O-N 3.18Å; F95-E98 PolarHBondContact O-N 3.44Å; L96-E98 PolarHBondContact O-N 3.45Å
99	N	96.7	Very high	94.6	Very high	70 Å²	70	39.4 Å²	39.4	37%	0.374	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	8.1	174.8	-71.9	-94.8	0	0	0	113.7	I64 I70 F95 L96 I97	I64-N99 HydrophobicContact CD1-CB 4.37Å; I64-N99 HydrophobicContact CG2-CB 4.11Å; I70-N99 HydrophobicContact CD1-CB 3.72Å; I70-N99 VanDerWaalsContact CD1-O 3.24Å; I70-N99 WeakPolarHBondContact CD1-O 3.42Å; F95-N99 WeakPolarHBondContact CD2-ND2 3.42Å; F95-N99 WeakPolarHBondContact CE2-ND2 3.46Å; F95-N99 PolarHBondContact O-N 3.43Å; F95-N99 PolarHBondContact O-ND2 2.85Å; L96-N99 CarbonylContact O-C 3.54Å; L96-N99 PolarHBondContact O-N 3.48Å; I97-N99 VanDerWaalsContact C-N 3.26Å; I97-N99 PolarHBondContact O-N 3.16Å
100	G	94.9	Very high	94.4	Very high	44 Å²	44	39.9 Å²	39.9	45%	0.454	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	24.3	173.4	0	0	0	0	0	116	N71 L96 I97 S102	N71-G100 PolarHBondContact ND2-O 3.49Å; L96-G100 PolarHBondContact O-N 2.9Å; I97-G100 PolarHBondContact O-N 3.16Å; I97-G100 VanDerWaalsContact O-N 3.1Å; G100-S102 PolarHBondContact O-N 3.46Å
101	A	97	Very high	94.2	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.025	22%	0.224	C	C	.	.			trans	-62	129.2	164.5	0	0	0	0	0	110.7	I70 L81 L96	I70-A101 HydrophobicContact CG2-CB 3.55Å; L81-A101 HydrophobicContact CB-CB 4.25Å; L81-A101 HydrophobicContact CD2-CB 3.92Å; L96-A101 VanDerWaalsContact C-CB 3.46Å; L96-A101 HydrophobicContact CB-CB 3.84Å; L96-A101 WeakPolarHBondContact O-CB 3.21Å; L96-A101 PolarHBondContact O-N 3.06Å
102	S	95.9	Very high	94.1	Very high	30 Å²	30	36.9 Å²	36.9	21%	0.21	20%	0.199	C	C	.	.			trans	-80	129.2	178.3	-178.2	0	0	0	0	111.3	N71 G100 S104	N71-S102 PolarHBondContact OD1-N 2.92Å; G100-S102 PolarHBondContact O-N 3.46Å; S102-S104 VanDerWaalsContact C-N 3.29Å; S102-S104 PolarHBondContact OG-N 2.92Å; S102-S104 VanDerWaalsContact OG-N 3.13Å; S102-S104 PolarHBondContact OG-OG 3.45Å; S102-S104 VanDerWaalsContact OG-OG 3.05Å
103	L	95.1	Very high	94.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-8.6	171.6	-69.2	160.4	0	0	0	112.6	L81 I97 L126 M130 I135	L81-L103 HydrophobicContact CD2-CD2 3.77Å; L81-L103 HydrophobicContact CD2-CG 4.31Å; I97-L103 HydrophobicContact CD1-CD2 4.11Å; I97-L103 HydrophobicContact CG1-CD2 4.37Å; L103-L126 HydrophobicContact CD2-CD2 3.61Å; L103-M130 HydrophobicContact CB-CE 4.13Å; L103-M130 HydrophobicContact CB-CG 4.03Å; L103-M130 HydrophobicContact CD1-CG 4.16Å; L103-M130 HydrophobicContact CD2-CG 4.45Å; L103-M130 HydrophobicContact CG-CG 4.46Å; L103-M130 WeakPolarHBondContact O-CE 3.43Å; L103-I135 HydrophobicContact CB-CD1 3.81Å
104	S	94.3	Very high	94	Very high	52 Å²	52	38.6 Å²	38.6	36%	0.364	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	8.9	-174.1	79.7	0	0	0	0	114.4	S102	S102-S104 VanDerWaalsContact C-N 3.29Å; S102-S104 PolarHBondContact OG-N 2.92Å; S102-S104 VanDerWaalsContact OG-N 3.13Å; S102-S104 PolarHBondContact OG-OG 3.45Å; S102-S104 VanDerWaalsContact OG-OG 3.05Å
105	I	93.4	Very high	93.8	Very high	26 Å²	26	37.6 Å²	37.6	13%	0.133	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-87.8	130.1	177.6	-66.7	173.4	0	0	0	108.6	N71 Q73 T79 H82 L112	N71-I105 HydrophobicContact CB-CD1 3.94Å; Q73-I105 HydrophobicContact CG-CG2 4.15Å; T79-I105 HydrophobicContact CG2-CB 4.18Å; T79-I105 HydrophobicContact CG2-CD1 3.99Å; T79-I105 HydrophobicContact CG2-CG2 3.62Å; H82-I105 PolarHBondContact CE1-O 3Å; H82-I105 PolarHBondContact NE2-O 3.34Å; I105-L112 WeakPolarHBondContact O-CD2 3.27Å
106	L	92.1	Very high	93.6	Very high	27 Å²	27	36.3 Å²	36.3	14%	0.141	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-91.9	145.9	173.2	-66.5	164.6	0	0	0	111.1	Q73 L110 E111 L112 I140 K141	Q73-L106 PolarHBondContact NE2-O 2.97Å; Q73-L106 VanDerWaalsContact NE2-O 3.14Å; L106-L110 HydrophobicContact CD1-CD2 4.11Å; L106-L110 WeakPolarHBondContact CD2-O 3.28Å; L106-E111 CarbonylContact C-O 3.53Å; L106-E111 WeakPolarHBondContact CA-O 3.43Å; L106-L112 HydrophobicContact CD2-CD2 3.48Å; L106-L112 VanDerWaalsContact CD2-CD2 3.48Å; L106-L112 HydrophobicContact CD2-CG 3.72Å; L106-L112 HydrophobicContact CG-CD2 4.01Å; L106-I140 HydrophobicContact CD1-CG2 3.89Å; L106-I140 HydrophobicContact CD2-CG2 4.13Å; L106-I140 HydrophobicContact CG-CG2 3.83Å; L106-K141 HydrophobicContact CD2-CG 3.76Å
107	S	90.9	Very high	93.5	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.021	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-68	170.7	158.3	75.1	0	0	0	0	111.6	W78 D109 L110 E111	W78-S107 VanDerWaalsContact CD1-CB 3.43Å; S107-D109 PolarHBondContact O-N 3.33Å; S107-D109 PolarHBondContact OG-N 3.24Å; S107-L110 PolarHBondContact O-N 3.5Å; S107-L110 VanDerWaalsContact O-N 3.12Å; S107-E111 PolarHBondContact N-O 3.43Å; S107-E111 WeakPolarHBondContact OG-CB 3.18Å; S107-E111 PolarHBondContact OG-N 2.93Å; S107-E111 VanDerWaalsContact OG-N 3.09Å; S107-E111 PolarHBondContact OG-O 2.78Å
108	V	85.5	Confident	93.3	Very high	22 Å²	22	43.3 Å²	43.3	13%	0.133	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.8	169.7	168.7	0	0	0	0	111.1	E76 L110 K180 V661	E76-V108 WeakPolarHBondContact O-CB 3.43Å; E76-V108 WeakPolarHBondContact O-CG2 3.19Å; E76-V108 PolarHBondContact O-N 3.29Å; V108-L110 PolarHBondContact O-N 3.39Å; V108-K180 WeakPolarHBondContact O-CE 3.49Å; V108-K180 PolarHBondContact O-NZ 2.98Å; V108-V661 WeakPolarHBondContact CG1-O 3.4Å; V108-V661 WeakPolarHBondContact CG2-O 3.46Å
109	D	84.8	Confident	93.1	Very high	92 Å²	92	40.3 Å²	40.3	49%	0.492	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	14.9	179.8	-68.6	-45.8	0	0	0	114.3	S107 E111	S107-D109 PolarHBondContact O-N 3.33Å; S107-D109 PolarHBondContact OG-N 3.24Å; D109-E111 HydrophobicContact CB-CG 4.42Å; D109-E111 PolarHBondContact O-N 3.1Å
110	L	89.6	Confident	93	Very high	36 Å²	36	44.3 Å²	44.3	19%	0.188	24%	0.244	C	C	.	.	S	Bend	trans	62.9	24.6	-179.9	-51	173.7	0	0	0	113.8	L106 S107 V108 K141 E144 Y182	L106-L110 HydrophobicContact CD1-CD2 4.11Å; L106-L110 WeakPolarHBondContact CD2-O 3.28Å; S107-L110 PolarHBondContact O-N 3.5Å; S107-L110 VanDerWaalsContact O-N 3.12Å; V108-L110 PolarHBondContact O-N 3.39Å; L110-K141 WeakPolarHBondContact O-CE 3.44Å; L110-E144 WeakPolarHBondContact CD2-OE2 3.45Å; L110-Y182 HydrophobicContact CD1-CE1 4.37Å; L110-Y182 WeakPolarHBondContact CD1-OH 3.17Å
111	E	91.5	Very high	93.1	Very high	59 Å²	59	47.3 Å²	47.3	28%	0.276	25%	0.246	S	C	.	.			trans	-85.1	137.1	171.3	-54.9	-178.9	132.4	0	0	109.4	H82 L106 S107 D109 D115 V116	H82-E111 PolarHBondContact NE2-O 3.4Å; L106-E111 CarbonylContact C-O 3.53Å; L106-E111 WeakPolarHBondContact CA-O 3.43Å; S107-E111 PolarHBondContact N-O 3.43Å; S107-E111 WeakPolarHBondContact OG-CB 3.18Å; S107-E111 PolarHBondContact OG-N 2.93Å; S107-E111 VanDerWaalsContact OG-N 3.09Å; S107-E111 PolarHBondContact OG-O 2.78Å; D109-E111 HydrophobicContact CB-CG 4.42Å; D109-E111 PolarHBondContact O-N 3.1Å; E111-D115 HydrophobicContact CB-CB 4.11Å; E111-V116 HydrophobicContact CB-CG2 3.85Å
112	L	94.6	Very high	93.1	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.245	C	C	.	.			trans	-91.7	166.8	163.6	-63.5	167.3	0	0	0	108.7	I105 L106 I114 D115 M130 G137 I140	I105-L112 WeakPolarHBondContact O-CD2 3.27Å; L106-L112 HydrophobicContact CD2-CD2 3.48Å; L106-L112 VanDerWaalsContact CD2-CD2 3.48Å; L106-L112 HydrophobicContact CD2-CG 3.72Å; L106-L112 HydrophobicContact CG-CD2 4.01Å; L112-I114 HydrophobicContact CB-CG2 3.95Å; L112-I114 PolarHBondContact O-N 2.97Å; L112-D115 WeakPolarHBondContact CB-OD2 3.15Å; L112-D115 PolarHBondContact N-OD2 2.91Å; L112-D115 PolarHBondContact O-N 3.31Å; L112-M130 HydrophobicContact CB-CE 4.08Å; L112-M130 HydrophobicContact CD1-CE 3.96Å; L112-M130 HydrophobicContact CG-CE 4.49Å; L112-G137 VanDerWaalsContact CD1-CA 3.49Å; L112-I140 HydrophobicContact CD2-CG2 4Å
113	P	95.3	Very high	93.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-55.2	-27.4	177.4	-26.5	34.4	0	0	0	114.1	L81 H82 A85 A117 L126	L81-P113 HydrophobicContact CB-CG 4.45Å; L81-P113 HydrophobicContact CD2-CB 4.4Å; L81-P113 HydrophobicContact CD2-CG 4.15Å; L81-P113 HydrophobicContact CG-CB 4.01Å; L81-P113 HydrophobicContact CG-CG 4.07Å; H82-P113 WeakPolarHBondContact NE2-CD 3.36Å; A85-P113 HydrophobicContact CB-CB 4.22Å; A85-P113 WeakPolarHBondContact CB-O 3.48Å; P113-A117 PolarHBondContact O-N 3.42Å; P113-L126 HydrophobicContact CB-CD1 4.34Å; P113-L126 WeakPolarHBondContact O-CD1 3.47Å
114	I	95.5	Very high	93.2	Very high	36 Å²	36	52.7 Å²	52.7	19%	0.185	27%	0.271	C	S	.	.	H	α-helix	trans	-72	-31.3	176.4	-171	171.8	0	0	0	113.6	L112 V116 A117 L126 T127 M130	L112-I114 HydrophobicContact CB-CG2 3.95Å; L112-I114 PolarHBondContact O-N 2.97Å; I114-V116 VanDerWaalsContact C-N 3.34Å; I114-A117 PolarHBondContact O-N 3.22Å; I114-L126 HydrophobicContact CB-CB 4.03Å; I114-L126 HydrophobicContact CB-CD1 4.34Å; I114-L126 HydrophobicContact CD1-CB 4.43Å; I114-L126 HydrophobicContact CG1-CB 4.17Å; I114-T127 VanDerWaalsContact CD1-OG1 3.27Å; I114-T127 WeakPolarHBondContact CD1-OG1 3.24Å; I114-M130 HydrophobicContact CB-CE 4.27Å; I114-M130 HydrophobicContact CB-SD 4.3Å; I114-M130 HydrophobicContact CD1-SD 4.22Å; I114-M130 HydrophobicContact CG2-CE 3.69Å; I114-M130 HydrophobicContact CG2-SD 3.87Å
115	D	94.5	Very high	93.3	Very high	72 Å²	72	51.5 Å²	51.5	39%	0.385	26%	0.261	S	S	.	.	H	α-helix	trans	-73.9	-31.2	-179.5	-61.3	-68.7	0	0	0	111.7	E111 L112 A117 K141	E111-D115 HydrophobicContact CB-CB 4.11Å; L112-D115 WeakPolarHBondContact CB-OD2 3.15Å; L112-D115 PolarHBondContact N-OD2 2.91Å; L112-D115 PolarHBondContact O-N 3.31Å; D115-A117 VanDerWaalsContact C-N 3.35Å; D115-K141 IonicContact OD1-NZ 2.79Å; D115-K141 PolarHBondContact OD1-NZ 3.34Å; D115-K141 WeakPolarHBondContact OD2-CE 3.43Å; D115-K141 IonicContact OD2-NZ 3.36Å; D115-K141 PolarHBondContact OD2-NZ 2.95Å
116	V	93.5	Very high	93.5	Very high	12 Å²	12	50.3 Å²	50.3	7%	0.073	25%	0.254	C	S	.	.	H	α-helix	trans	-78.8	-20.1	178.3	-172.1	0	0	0	0	112	W78 E111 I114 Q118	W78-V116 HydrophobicContact CH2-CG1 3.31Å; W78-V116 HydrophobicContact CH2-CG2 4.41Å; W78-V116 HydrophobicContact CZ2-CG1 3.76Å; W78-V116 HydrophobicContact CZ2-CG2 4.07Å; W78-V116 HydrophobicContact CZ3-CG1 3.93Å; E111-V116 HydrophobicContact CB-CG2 3.85Å; I114-V116 VanDerWaalsContact C-N 3.34Å; V116-Q118 PolarHBondContact O-N 3.16Å
117	A	95.3	Very high	93.7	Very high	9 Å²	9	50.6 Å²	50.6	7%	0.074	26%	0.258	C	S	.	.			trans	-70.7	125.7	-177.4	0	0	0	0	0	112.1	A85 P113 I114 D115 M122 I123 L126	A85-A117 HydrophobicContact CB-CB 4.38Å; P113-A117 PolarHBondContact O-N 3.42Å; I114-A117 PolarHBondContact O-N 3.22Å; D115-A117 VanDerWaalsContact C-N 3.35Å; A117-M122 HydrophobicContact CB-CB 4.16Å; A117-M122 HydrophobicContact CB-CG 3.56Å; A117-I123 HydrophobicContact CB-CG1 3.81Å; A117-L126 HydrophobicContact CB-CD1 4.04Å
118	Q	91.6	Very high	93.9	Very high	163 Å²	163	53.9 Å²	53.9	76%	0.762	28%	0.275	S	S	*	.			trans	-100.5	-28.5	180	-63	178.8	32	0	0	113.1	V116	V116-Q118 PolarHBondContact O-N 3.16Å
119	D	92.8	Very high	94.4	Very high	89 Å²	89	53.5 Å²	53.5	48%	0.476	27%	0.273	S	S	.	.	S	Bend	trans	-85.5	137	-178.2	-70.5	-53.6	0	0	0	112.6	G88 E121 M122 I123	G88-D119 VanDerWaalsContact CA-OD2 3.31Å; G88-D119 WeakPolarHBondContact CA-OD2 3.13Å; D119-E121 VanDerWaalsContact C-N 3.32Å; D119-E121 PolarHBondContact O-N 3.34Å; D119-M122 HydrophobicContact CB-CB 4.27Å; D119-M122 WeakPolarHBondContact O-CB 3.29Å; D119-M122 PolarHBondContact O-N 3.48Å; D119-I123 WeakPolarHBondContact O-CG1 3.24Å; D119-I123 PolarHBondContact O-N 3.19Å
120	E	94.9	Very high	95	Very high	155 Å²	155	49.7 Å²	49.7	72%	0.724	25%	0.252	S	S	*	.	H	α-helix	trans	-62.8	-33.1	-177.3	-173.5	173.1	-171	0	0	113	N124	E120-N124 WeakPolarHBondContact CG-ND2 3.48Å; E120-N124 WeakPolarHBondContact O-CB 3.28Å; E120-N124 PolarHBondContact O-N 3.27Å; E120-N124 PolarHBondContact O-ND2 3.12Å
121	E	96.4	Very high	95.2	Very high	107 Å²	107	54.1 Å²	54.1	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-41.1	172.5	-165.3	-165.2	147.4	0	0	111.2	C90 R94 D119 N124 L125	C90-E121 HydrophobicContact CB-CG 4.49Å; C90-E121 WeakPolarHBondContact CB-OE1 3.45Å; R94-E121 IonicContact CZ-OE1 3.23Å; R94-E121 VanDerWaalsContact CZ-OE1 3.23Å; R94-E121 IonicContact NH1-OE1 2.76Å; R94-E121 PolarHBondContact NH1-OE1 2.95Å; R94-E121 IonicContact NH2-OE1 2.75Å; R94-E121 PolarHBondContact NH2-OE1 3.48Å; D119-E121 VanDerWaalsContact C-N 3.32Å; D119-E121 PolarHBondContact O-N 3.34Å; E121-N124 PolarHBondContact O-N 2.9Å; E121-L125 WeakPolarHBondContact O-CB 3.37Å; E121-L125 PolarHBondContact O-N 2.82Å
122	M	96.8	Very high	95.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.4	-45.7	-180	-177.2	64.2	73.5	0	0	111.1	A84 A85 C89 C90 A93 A117 D119 N124 L125 L126	A84-M122 WeakPolarHBondContact O-CE 3.4Å; A85-M122 HydrophobicContact CB-CG 4.24Å; A85-M122 HydrophobicContact CB-SD 4.26Å; C89-M122 WeakPolarHBondContact O-CE 3.32Å; C90-M122 HydrophobicContact CB-CE 4.41Å; C90-M122 VanDerWaalsContact SG-CA 3.59Å; C90-M122 PolarHBondContact SG-N 2.93Å; C90-M122 VanDerWaalsContact SG-N 3.43Å; A93-M122 HydrophobicContact CB-CE 3.72Å; A93-M122 HydrophobicContact CB-SD 3.56Å; A93-M122 VanDerWaalsContact CB-SD 3.56Å; A117-M122 HydrophobicContact CB-CB 4.16Å; A117-M122 HydrophobicContact CB-CG 3.56Å; D119-M122 HydrophobicContact CB-CB 4.27Å; D119-M122 WeakPolarHBondContact O-CB 3.29Å; D119-M122 PolarHBondContact O-N 3.48Å; M122-N124 VanDerWaalsContact C-N 3.33Å; M122-N124 PolarHBondContact O-N 3.36Å; M122-L125 WeakPolarHBondContact O-CB 3.4Å; M122-L125 PolarHBondContact O-N 3.16Å; M122-L125 HydrophobicContact SD-CD2 4.26Å; M122-L126 HydrophobicContact CG-CD1 3.79Å; M122-L126 HydrophobicContact CG-CG 4.4Å; M122-L126 WeakPolarHBondContact O-CB 3.27Å; M122-L126 VanDerWaalsContact O-CG 3.3Å; M122-L126 WeakPolarHBondContact O-CG 3.13Å; M122-L126 PolarHBondContact O-N 3.46Å; M122-L126 HydrophobicContact SD-CD1 3.86Å; M122-L126 HydrophobicContact SD-CG 4.06Å
123	I	96.7	Very high	95.3	Very high	63 Å²	63	62.9 Å²	62.9	32%	0.323	31%	0.309	S	S	.	.	H	α-helix	trans	-58.6	-46.8	175.9	-64.6	165	0	0	0	109.8	A117 D119 L126 T127	A117-I123 HydrophobicContact CB-CG1 3.81Å; D119-I123 WeakPolarHBondContact O-CG1 3.24Å; D119-I123 PolarHBondContact O-N 3.19Å; I123-L126 PolarHBondContact O-N 2.83Å; I123-T127 WeakPolarHBondContact O-CB 3.33Å; I123-T127 PolarHBondContact O-N 3.39Å; I123-T127 PolarHBondContact O-OG1 2.86Å
124	N	96.8	Very high	95.2	Very high	83 Å²	83	70.2 Å²	70.2	44%	0.444	35%	0.348	S	S	.	.	H	α-helix	trans	-64.1	-41.6	177.4	-78.8	-55.4	0	0	0	112.6	E120 E121 M122 T127 D128	E120-N124 WeakPolarHBondContact CG-ND2 3.48Å; E120-N124 WeakPolarHBondContact O-CB 3.28Å; E120-N124 PolarHBondContact O-N 3.27Å; E120-N124 PolarHBondContact O-ND2 3.12Å; E121-N124 PolarHBondContact O-N 2.9Å; M122-N124 VanDerWaalsContact C-N 3.33Å; M122-N124 PolarHBondContact O-N 3.36Å; N124-T127 PolarHBondContact O-N 3.04Å; N124-D128 WeakPolarHBondContact O-CB 3.24Å; N124-D128 PolarHBondContact O-N 2.83Å
125	L	97.4	Very high	95	Very high	27 Å²	27	70.1 Å²	70.1	14%	0.141	35%	0.348	C	S	.	.	H	α-helix	trans	-57.8	-52.1	176	-177.1	83.8	0	0	0	111.6	A93 R94 I97 E121 M122 D128 S129	A93-L125 HydrophobicContact CB-CD2 3.69Å; R94-L125 HydrophobicContact CG-CD1 3.41Å; R94-L125 VanDerWaalsContact CG-CD1 3.41Å; R94-L125 HydrophobicContact CG-CD2 3.89Å; R94-L125 HydrophobicContact CG-CG 4.27Å; I97-L125 HydrophobicContact CD1-CD2 4.5Å; E121-L125 WeakPolarHBondContact O-CB 3.37Å; E121-L125 PolarHBondContact O-N 2.82Å; M122-L125 WeakPolarHBondContact O-CB 3.4Å; M122-L125 PolarHBondContact O-N 3.16Å; M122-L125 HydrophobicContact SD-CD2 4.26Å; L125-D128 PolarHBondContact O-N 2.94Å; L125-S129 WeakPolarHBondContact O-CB 3.42Å; L125-S129 PolarHBondContact O-N 3.23Å; L125-S129 PolarHBondContact O-OG 3.26Å
126	L	96.6	Very high	94.9	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-68.6	-41.1	-177.1	-64.4	170.9	0	0	0	110.6	L81 A85 I97 L103 P113 I114 A117 M122 I123 D128 S129 M130	L81-L126 HydrophobicContact CD1-CD2 4.39Å; A85-L126 HydrophobicContact CB-CD1 3.85Å; I97-L126 HydrophobicContact CD1-CD2 3.9Å; L103-L126 HydrophobicContact CD2-CD2 3.61Å; P113-L126 HydrophobicContact CB-CD1 4.34Å; P113-L126 WeakPolarHBondContact O-CD1 3.47Å; I114-L126 HydrophobicContact CB-CB 4.03Å; I114-L126 HydrophobicContact CB-CD1 4.34Å; I114-L126 HydrophobicContact CD1-CB 4.43Å; I114-L126 HydrophobicContact CG1-CB 4.17Å; A117-L126 HydrophobicContact CB-CD1 4.04Å; M122-L126 HydrophobicContact CG-CD1 3.79Å; M122-L126 HydrophobicContact CG-CG 4.4Å; M122-L126 WeakPolarHBondContact O-CB 3.27Å; M122-L126 VanDerWaalsContact O-CG 3.3Å; M122-L126 WeakPolarHBondContact O-CG 3.13Å; M122-L126 PolarHBondContact O-N 3.46Å; M122-L126 HydrophobicContact SD-CD1 3.86Å; M122-L126 HydrophobicContact SD-CG 4.06Å; I123-L126 PolarHBondContact O-N 2.83Å; L126-D128 PolarHBondContact O-N 3.4Å; L126-S129 PolarHBondContact O-N 2.87Å; L126-M130 WeakPolarHBondContact O-CB 3.5Å; L126-M130 WeakPolarHBondContact O-CG 3.47Å; L126-M130 PolarHBondContact O-N 2.57Å
127	T	96.5	Very high	94.7	Very high	34 Å²	34	70.7 Å²	70.7	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-53.8	-52.2	172.2	-65.8	0	0	0	0	111.5	I114 I123 N124 S129 M130 K131	I114-T127 VanDerWaalsContact CD1-OG1 3.27Å; I114-T127 WeakPolarHBondContact CD1-OG1 3.24Å; I123-T127 WeakPolarHBondContact O-CB 3.33Å; I123-T127 PolarHBondContact O-N 3.39Å; I123-T127 PolarHBondContact O-OG1 2.86Å; N124-T127 PolarHBondContact O-N 3.04Å; T127-S129 VanDerWaalsContact C-N 3.31Å; T127-S129 PolarHBondContact O-N 2.73Å; T127-M130 PolarHBondContact O-N 2.94Å; T127-K131 HydrophobicContact CG2-CD 4.3Å; T127-K131 VanDerWaalsContact CG2-NZ 3.29Å; T127-K131 VanDerWaalsContact O-CG 3.29Å; T127-K131 WeakPolarHBondContact O-CG 3.4Å; T127-K131 PolarHBondContact O-N 3.29Å
128	D	95.9	Very high	94.5	Very high	72 Å²	72	75.2 Å²	75.2	39%	0.385	38%	0.377	S	S	.	.	H	α-helix	trans	-71.3	-28.3	-178.5	-86.2	6	0	0	0	112.7	N124 L125 L126 K131 K132	N124-D128 WeakPolarHBondContact O-CB 3.24Å; N124-D128 PolarHBondContact O-N 2.83Å; L125-D128 PolarHBondContact O-N 2.94Å; L126-D128 PolarHBondContact O-N 3.4Å; D128-K131 IonicContact OD1-NZ 2.91Å; D128-K131 PolarHBondContact OD1-NZ 2.72Å; D128-K132 WeakPolarHBondContact O-CB 3.06Å; D128-K132 WeakPolarHBondContact O-CD 3.42Å; D128-K132 WeakPolarHBondContact O-CE 3.22Å; D128-K132 WeakPolarHBondContact O-CG 3.48Å; D128-K132 PolarHBondContact O-N 3.4Å
129	S	96.1	Very high	94.5	Very high	13 Å²	13	71.5 Å²	71.5	9%	0.091	37%	0.366	C	S	.	.	H	α-helix	trans	-72.9	-40.7	175.3	-54.3	0	0	0	0	111.6	L125 L126 T127 K132 Q133	L125-S129 WeakPolarHBondContact O-CB 3.42Å; L125-S129 PolarHBondContact O-N 3.23Å; L125-S129 PolarHBondContact O-OG 3.26Å; L126-S129 PolarHBondContact O-N 2.87Å; T127-S129 VanDerWaalsContact C-N 3.31Å; T127-S129 PolarHBondContact O-N 2.73Å; S129-K132 PolarHBondContact O-N 2.93Å; S129-Q133 WeakPolarHBondContact O-CG 3.49Å; S129-Q133 PolarHBondContact O-N 3.46Å; S129-Q133 VanDerWaalsContact O-N 3.1Å
130	M	95.7	Very high	94.5	Very high	12 Å²	12	68.6 Å²	68.6	6%	0.059	35%	0.35	C	S	.	.	H	α-helix	trans	-62.2	-47	172.1	-75.7	178.3	162.7	0	0	111.6	L103 L112 I114 L126 T127 K132 Q133 N134 I135	L103-M130 HydrophobicContact CB-CE 4.13Å; L103-M130 HydrophobicContact CB-CG 4.03Å; L103-M130 HydrophobicContact CD1-CG 4.16Å; L103-M130 HydrophobicContact CD2-CG 4.45Å; L103-M130 HydrophobicContact CG-CG 4.46Å; L103-M130 WeakPolarHBondContact O-CE 3.43Å; L112-M130 HydrophobicContact CB-CE 4.08Å; L112-M130 HydrophobicContact CD1-CE 3.96Å; L112-M130 HydrophobicContact CG-CE 4.49Å; I114-M130 HydrophobicContact CB-CE 4.27Å; I114-M130 HydrophobicContact CB-SD 4.3Å; I114-M130 HydrophobicContact CD1-SD 4.22Å; I114-M130 HydrophobicContact CG2-CE 3.69Å; I114-M130 HydrophobicContact CG2-SD 3.87Å; L126-M130 WeakPolarHBondContact O-CB 3.5Å; L126-M130 WeakPolarHBondContact O-CG 3.47Å; L126-M130 PolarHBondContact O-N 2.57Å; T127-M130 PolarHBondContact O-N 2.94Å; M130-K132 VanDerWaalsContact C-N 3.35Å; M130-K132 PolarHBondContact O-N 2.89Å; M130-Q133 CarbonylContact O-C 3.53Å; M130-Q133 PolarHBondContact O-N 3.29Å; M130-Q133 VanDerWaalsContact O-N 3.11Å; M130-N134 PolarHBondContact O-N 3.32Å; M130-I135 HydrophobicContact CB-CB 4.1Å; M130-I135 HydrophobicContact CB-CG2 4.18Å; M130-I135 HydrophobicContact CE-CG2 4.32Å; M130-I135 HydrophobicContact CG-CB 4.22Å; M130-I135 HydrophobicContact CG-CG2 3.87Å; M130-I135 PolarHBondContact O-N 3.45Å; M130-I135 HydrophobicContact SD-CG2 4.34Å
131	K	95.3	Very high	94.2	Very high	129 Å²	129	63.6 Å²	63.6	56%	0.561	33%	0.326	S	S	*	.	H	α-helix	trans	-56.2	-45.5	174.2	-71.6	171.3	-164.6	155.6	0	112.2	T127 D128 Q133 N134	T127-K131 HydrophobicContact CG2-CD 4.3Å; T127-K131 VanDerWaalsContact CG2-NZ 3.29Å; T127-K131 VanDerWaalsContact O-CG 3.29Å; T127-K131 WeakPolarHBondContact O-CG 3.4Å; T127-K131 PolarHBondContact O-N 3.29Å; D128-K131 IonicContact OD1-NZ 2.91Å; D128-K131 PolarHBondContact OD1-NZ 2.72Å; K131-Q133 VanDerWaalsContact C-N 3.26Å; K131-Q133 PolarHBondContact O-N 2.88Å; K131-N134 PolarHBondContact O-N 2.9Å; K131-N134 VanDerWaalsContact O-N 3.14Å
132	K	94.8	Very high	94	Very high	153 Å²	153	63 Å²	63	67%	0.665	32%	0.322	S	S	*	.	H	α-helix	trans	-62.3	-32.2	178	-73	160.1	-163.9	162.7	0	112.7	D128 S129 M130	D128-K132 WeakPolarHBondContact O-CB 3.06Å; D128-K132 WeakPolarHBondContact O-CD 3.42Å; D128-K132 WeakPolarHBondContact O-CE 3.22Å; D128-K132 WeakPolarHBondContact O-CG 3.48Å; D128-K132 PolarHBondContact O-N 3.4Å; S129-K132 PolarHBondContact O-N 2.93Å; M130-K132 VanDerWaalsContact C-N 3.35Å; M130-K132 PolarHBondContact O-N 2.89Å
133	Q	93.1	Very high	93.8	Very high	92 Å²	92	65.3 Å²	65.3	43%	0.43	34%	0.338	S	S	.	.	H	α-helix	trans	-90.4	0.9	177.8	-65.1	-176.7	9.2	0	0	113.5	S129 M130 K131 I135	S129-Q133 WeakPolarHBondContact O-CG 3.49Å; S129-Q133 PolarHBondContact O-N 3.46Å; S129-Q133 VanDerWaalsContact O-N 3.1Å; M130-Q133 CarbonylContact O-C 3.53Å; M130-Q133 PolarHBondContact O-N 3.29Å; M130-Q133 VanDerWaalsContact O-N 3.11Å; K131-Q133 VanDerWaalsContact C-N 3.26Å; K131-Q133 PolarHBondContact O-N 2.88Å; Q133-I135 HydrophobicContact CB-CD1 3.75Å; Q133-I135 HydrophobicContact CB-CG1 3.92Å; Q133-I135 PolarHBondContact O-N 3.35Å; Q133-I135 VanDerWaalsContact OE1-CD1 3.23Å
134	N	93.2	Very high	93.4	Very high	153 Å²	153	63.4 Å²	63.4	82%	0.818	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	36	-171.9	-56.8	-77.5	0	0	0	113.6	M130 K131	M130-N134 PolarHBondContact O-N 3.32Å; K131-N134 PolarHBondContact O-N 2.9Å; K131-N134 VanDerWaalsContact O-N 3.14Å
135	I	92	Very high	93.2	Very high	35 Å²	35	60.5 Å²	60.5	18%	0.179	31%	0.312	C	S	.	.			trans	-85.5	119.9	178.2	-74.6	173.4	0	0	0	109.4	L103 M130 Q133 I140	L103-I135 HydrophobicContact CB-CD1 3.81Å; M130-I135 HydrophobicContact CB-CB 4.1Å; M130-I135 HydrophobicContact CB-CG2 4.18Å; M130-I135 HydrophobicContact CE-CG2 4.32Å; M130-I135 HydrophobicContact CG-CB 4.22Å; M130-I135 HydrophobicContact CG-CG2 3.87Å; M130-I135 PolarHBondContact O-N 3.45Å; M130-I135 HydrophobicContact SD-CG2 4.34Å; Q133-I135 HydrophobicContact CB-CD1 3.75Å; Q133-I135 HydrophobicContact CB-CG1 3.92Å; Q133-I135 PolarHBondContact O-N 3.35Å; Q133-I135 VanDerWaalsContact OE1-CD1 3.23Å; I135-I140 HydrophobicContact CG2-CD1 3.6Å
136	D	92.3	Very high	93.1	Very high	80 Å²	80	64.7 Å²	64.7	43%	0.428	33%	0.331	S	S	.	.			trans	-98.5	116.4	167.7	174.3	36.2	0	0	0	110.5	D138 T139 I140	D136-D138 PolarHBondContact OD1-N 3.46Å; D136-T139 WeakPolarHBondContact OD2-CB 3.4Å; D136-T139 PolarHBondContact OD2-N 3.36Å; D136-T139 PolarHBondContact OD2-OG1 3.27Å; D136-I140 WeakPolarHBondContact O-CD1 3.29Å; D136-I140 WeakPolarHBondContact O-CG1 3.25Å; D136-I140 PolarHBondContact O-N 2.95Å
137	G	89.3	Confident	92.9	Very high	16 Å²	16	69.6 Å²	69.6	17%	0.165	36%	0.355	C	S	.	.	H	α-helix	trans	-68.1	-33.3	-177.7	0	0	0	0	0	113.5	L112 I140 K141	L112-G137 VanDerWaalsContact CD1-CA 3.49Å; G137-I140 PolarHBondContact O-N 3.13Å; G137-K141 WeakPolarHBondContact O-CG 3.15Å; G137-K141 PolarHBondContact O-N 3.39Å
138	D	90.8	Very high	92.8	Very high	104 Å²	104	68.8 Å²	68.8	56%	0.556	35%	0.35	S	S	*	.	H	α-helix	trans	-71.6	-44	-179.1	-75.4	-21.4	0	0	0	110.8	D136 I140 K141 H142	D136-D138 PolarHBondContact OD1-N 3.46Å; D138-I140 VanDerWaalsContact C-N 3.27Å; D138-I140 PolarHBondContact O-N 3.15Å; D138-K141 PolarHBondContact O-N 2.98Å; D138-H142 PolarHBondContact O-N 3.38Å; D138-H142 VanDerWaalsContact O-N 3.13Å; D138-H142 PolarHBondContact O-ND1 3.46Å
139	T	92.3	Very high	92.7	Very high	85 Å²	85	67.3 Å²	67.3	52%	0.521	34%	0.341	S	S	.	.	H	α-helix	trans	-57.1	-39.7	172.3	-66.6	0	0	0	0	112.1	D136 S143	D136-T139 WeakPolarHBondContact OD2-CB 3.4Å; D136-T139 PolarHBondContact OD2-N 3.36Å; D136-T139 PolarHBondContact OD2-OG1 3.27Å; T139-S143 PolarHBondContact O-N 3.37Å; T139-S143 VanDerWaalsContact O-N 3.15Å
140	I	91.2	Very high	92.7	Very high	28 Å²	28	72.2 Å²	72.2	14%	0.144	36%	0.363	C	S	.	.	H	α-helix	trans	-67	-47.4	178.4	-69	160.7	0	0	0	111.4	L106 L112 I135 D136 G137 D138 H142 S143	L106-I140 HydrophobicContact CD1-CG2 3.89Å; L106-I140 HydrophobicContact CD2-CG2 4.13Å; L106-I140 HydrophobicContact CG-CG2 3.83Å; L112-I140 HydrophobicContact CD2-CG2 4Å; I135-I140 HydrophobicContact CG2-CD1 3.6Å; D136-I140 WeakPolarHBondContact O-CD1 3.29Å; D136-I140 WeakPolarHBondContact O-CG1 3.25Å; D136-I140 PolarHBondContact O-N 2.95Å; G137-I140 PolarHBondContact O-N 3.13Å; D138-I140 VanDerWaalsContact C-N 3.27Å; D138-I140 PolarHBondContact O-N 3.15Å; I140-H142 PolarHBondContact O-N 2.77Å; I140-S143 VanDerWaalsContact O-CB 3.27Å; I140-S143 WeakPolarHBondContact O-CB 3.25Å; I140-S143 PolarHBondContact O-N 2.66Å; I140-S143 PolarHBondContact O-OG 2.8Å
141	K	90.2	Very high	92.6	Very high	50 Å²	50	72.9 Å²	72.9	22%	0.217	37%	0.366	C	S	.	.	H	α-helix	trans	-59.3	-34.4	178.6	-72.6	171.4	-178.3	174.3	0	113.1	L106 L110 D115 G137 D138	L106-K141 HydrophobicContact CD2-CG 3.76Å; L110-K141 WeakPolarHBondContact O-CE 3.44Å; D115-K141 IonicContact OD1-NZ 2.79Å; D115-K141 PolarHBondContact OD1-NZ 3.34Å; D115-K141 WeakPolarHBondContact OD2-CE 3.43Å; D115-K141 IonicContact OD2-NZ 3.36Å; D115-K141 PolarHBondContact OD2-NZ 2.95Å; G137-K141 WeakPolarHBondContact O-CG 3.15Å; G137-K141 PolarHBondContact O-N 3.39Å; D138-K141 PolarHBondContact O-N 2.98Å
142	H	91.9	Very high	92.6	Very high	94 Å²	94	66.8 Å²	66.8	44%	0.435	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.5	175	-65.7	89.7	0	0	0	113.9	D138 I140 E144 E145 Q146	D138-H142 PolarHBondContact O-N 3.38Å; D138-H142 VanDerWaalsContact O-N 3.13Å; D138-H142 PolarHBondContact O-ND1 3.46Å; I140-H142 PolarHBondContact O-N 2.77Å; H142-E144 PolarHBondContact O-N 3.32Å; H142-E145 PolarHBondContact O-N 3.03Å; H142-Q146 WeakPolarHBondContact O-CB 3.34Å; H142-Q146 VanDerWaalsContact O-CG 3.28Å; H142-Q146 WeakPolarHBondContact O-CG 3.31Å; H142-Q146 PolarHBondContact O-N 2.97Å
143	S	91.4	Very high	92.7	Very high	48 Å²	48	63.7 Å²	63.7	34%	0.336	33%	0.328	S	S	.	.	H	α-helix	trans	-66.8	-35.8	-175.2	70.2	0	0	0	0	113	T139 I140 Q146 M147	T139-S143 PolarHBondContact O-N 3.37Å; T139-S143 VanDerWaalsContact O-N 3.15Å; I140-S143 VanDerWaalsContact O-CB 3.27Å; I140-S143 WeakPolarHBondContact O-CB 3.25Å; I140-S143 PolarHBondContact O-N 2.66Å; I140-S143 PolarHBondContact O-OG 2.8Å; S143-Q146 PolarHBondContact O-N 3.36Å; S143-M147 WeakPolarHBondContact O-CB 3.26Å; S143-M147 WeakPolarHBondContact O-CG 3.41Å; S143-M147 PolarHBondContact O-N 2.91Å
144	E	89.1	Confident	92.7	Very high	24 Å²	24	64.4 Å²	64.4	11%	0.112	33%	0.331	C	S	.	.	H	α-helix	trans	-67.6	-44.7	174.5	-176.2	176	-165.5	0	0	111.8	L110 H142 Q146 M147 L148 Y182 S660	L110-E144 WeakPolarHBondContact CD2-OE2 3.45Å; H142-E144 PolarHBondContact O-N 3.32Å; E144-Q146 VanDerWaalsContact C-N 3.28Å; E144-Q146 PolarHBondContact O-N 2.87Å; E144-M147 PolarHBondContact O-N 2.96Å; E144-L148 WeakPolarHBondContact O-CB 3.29Å; E144-L148 PolarHBondContact O-N 2.83Å; E144-Y182 HydrophobicContact CG-CE2 4.05Å; E144-Y182 PolarHBondContact OE2-OH 2.71Å; E144-S660 VanDerWaalsContact OE1-CB 3.22Å; E144-S660 WeakPolarHBondContact OE1-CB 3.37Å; E144-S660 PolarHBondContact OE1-N 3.16Å; E144-S660 PolarHBondContact OE1-OG 3.47Å; E144-S660 VanDerWaalsContact OE2-CB 3.29Å; E144-S660 WeakPolarHBondContact OE2-CB 3.4Å; E144-S660 PolarHBondContact OE2-OG 3.01Å
145	E	93.2	Very high	92.8	Very high	22 Å²	22	58 Å²	58	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-56.6	-45.6	173.6	-168.9	-167.9	-173.6	0	0	110.1	H142 L148 L149 Y182 K184	H142-E145 PolarHBondContact O-N 3.03Å; E145-L148 PolarHBondContact O-N 2.95Å; E145-L149 WeakPolarHBondContact O-CB 3.38Å; E145-L149 PolarHBondContact O-N 3.41Å; E145-Y182 HydrophobicContact CB-CD1 3.85Å; E145-Y182 HydrophobicContact CB-CE1 3.76Å; E145-Y182 HydrophobicContact CB-CG 4.29Å; E145-Y182 HydrophobicContact CG-CD1 3.73Å; E145-Y182 HydrophobicContact CG-CE1 4.19Å; E145-Y182 HydrophobicContact CG-CG 3.99Å; E145-K184 IonicContact OE1-NZ 2.72Å; E145-K184 PolarHBondContact OE1-NZ 3.43Å; E145-K184 IonicContact OE2-NZ 3.19Å; E145-K184 PolarHBondContact OE2-NZ 2.68Å
146	Q	94.6	Very high	92.9	Very high	114 Å²	114	59.5 Å²	59.5	53%	0.533	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-40.6	-179.3	-72.3	173.4	46.3	0	0	112.9	H142 S143 E144 H150	H142-Q146 WeakPolarHBondContact O-CB 3.34Å; H142-Q146 VanDerWaalsContact O-CG 3.28Å; H142-Q146 WeakPolarHBondContact O-CG 3.31Å; H142-Q146 PolarHBondContact O-N 2.97Å; S143-Q146 PolarHBondContact O-N 3.36Å; E144-Q146 VanDerWaalsContact C-N 3.28Å; E144-Q146 PolarHBondContact O-N 2.87Å; Q146-H150 VanDerWaalsContact O-CB 3.32Å; Q146-H150 WeakPolarHBondContact O-CB 3.46Å; Q146-H150 PolarHBondContact O-N 2.91Å
147	M	92	Very high	92.9	Very high	103 Å²	103	61.6 Å²	61.6	51%	0.507	32%	0.319	S	S	.	.	H	α-helix	trans	-64.1	-45.2	174.9	-77.4	-176.7	61.3	0	0	111.7	S143 E144 H150 D151	S143-M147 WeakPolarHBondContact O-CB 3.26Å; S143-M147 WeakPolarHBondContact O-CG 3.41Å; S143-M147 PolarHBondContact O-N 2.91Å; E144-M147 PolarHBondContact O-N 2.96Å; M147-H150 PolarHBondContact O-N 2.93Å; M147-D151 PolarHBondContact O-N 2.83Å
148	L	93.9	Very high	93.1	Very high	18 Å²	18	63.2 Å²	63.2	9%	0.094	33%	0.328	C	S	.	.	H	α-helix	trans	-67.1	-39.7	178.3	-178	61.4	0	0	0	112.1	E144 E145 A152 P173 A177 Y182 A185	E144-L148 WeakPolarHBondContact O-CB 3.29Å; E144-L148 PolarHBondContact O-N 2.83Å; E145-L148 PolarHBondContact O-N 2.95Å; L148-A152 VanDerWaalsContact O-CB 3.24Å; L148-A152 WeakPolarHBondContact O-CB 3.22Å; L148-A152 PolarHBondContact O-N 3.46Å; L148-P173 HydrophobicContact CD1-CB 3.78Å; L148-A177 HydrophobicContact CD2-CB 3.93Å; L148-Y182 HydrophobicContact CD2-CD2 3.8Å; L148-A185 HydrophobicContact CD2-CB 4Å; L148-A185 HydrophobicContact CG-CB 3.97Å
149	L	95.1	Very high	93	Very high	40 Å²	40	60.6 Å²	60.6	21%	0.209	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-44.3	173.8	-171	85.9	0	0	0	111.1	E145 A152 Q153 K184 I188	E145-L149 WeakPolarHBondContact O-CB 3.38Å; E145-L149 PolarHBondContact O-N 3.41Å; L149-A152 PolarHBondContact O-N 3.3Å; L149-Q153 WeakPolarHBondContact O-CB 3.39Å; L149-Q153 VanDerWaalsContact O-CG 3.24Å; L149-Q153 WeakPolarHBondContact O-CG 3.32Å; L149-Q153 PolarHBondContact O-N 2.93Å; L149-K184 HydrophobicContact CD1-CB 3.81Å; L149-I188 HydrophobicContact CD1-CD1 3.76Å; L149-I188 HydrophobicContact CG-CD1 4.38Å
150	H	95.4	Very high	92.8	Very high	117 Å²	117	62 Å²	62	54%	0.542	33%	0.327	S	S	.	.	H	α-helix	trans	-64	-48.8	177.6	173.9	-81.6	0	0	0	112	Q146 M147 A152 Q153 H154	Q146-H150 VanDerWaalsContact O-CB 3.32Å; Q146-H150 WeakPolarHBondContact O-CB 3.46Å; Q146-H150 PolarHBondContact O-N 2.91Å; M147-H150 PolarHBondContact O-N 2.93Å; H150-A152 VanDerWaalsContact C-N 3.33Å; H150-A152 PolarHBondContact O-N 2.79Å; H150-Q153 PolarHBondContact O-N 3.03Å; H150-H154 WeakPolarHBondContact O-CB 3.33Å; H150-H154 PolarHBondContact O-N 3.3Å
151	D	94.8	Very high	92.8	Very high	26 Å²	26	63.1 Å²	63.1	14%	0.139	33%	0.329	C	S	.	.	H	α-helix	trans	-62.8	-39.1	177.1	-83.8	-11.5	0	0	0	111.3	M147 H154 W155 R657	M147-D151 PolarHBondContact O-N 2.83Å; D151-H154 PolarHBondContact O-N 3.13Å; D151-W155 HydrophobicContact CB-CH2 3.95Å; D151-W155 HydrophobicContact CB-CZ2 4.07Å; D151-W155 HydrophobicContact CB-CZ3 4.25Å; D151-W155 VanDerWaalsContact O-CD2 3.26Å; D151-W155 VanDerWaalsContact O-CG 3.31Å; D151-W155 PolarHBondContact O-N 2.69Å; D151-R657 IonicContact OD1-CZ 3.91Å; D151-R657 IonicContact OD1-NH1 2.86Å; D151-R657 PolarHBondContact OD1-NH1 3.43Å; D151-R657 IonicContact OD2-CZ 3.91Å; D151-R657 IonicContact OD2-NH1 2.67Å; D151-R657 PolarHBondContact OD2-NH1 3.04Å
152	A	95.3	Very high	92.7	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.8	-44.3	174.5	0	0	0	0	0	112.8	L148 L149 H150 H154 W155 L156 I188 L189	L148-A152 VanDerWaalsContact O-CB 3.24Å; L148-A152 WeakPolarHBondContact O-CB 3.22Å; L148-A152 PolarHBondContact O-N 3.46Å; L149-A152 PolarHBondContact O-N 3.3Å; H150-A152 VanDerWaalsContact C-N 3.33Å; H150-A152 PolarHBondContact O-N 2.79Å; A152-H154 VanDerWaalsContact C-N 3.31Å; A152-H154 PolarHBondContact O-N 2.8Å; A152-W155 PolarHBondContact O-N 2.98Å; A152-L156 WeakPolarHBondContact O-CB 3.49Å; A152-L156 PolarHBondContact O-N 3.12Å; A152-I188 HydrophobicContact CB-CB 4.23Å; A152-I188 HydrophobicContact CB-CG2 3.84Å; A152-L189 HydrophobicContact CB-CD2 3.77Å; A152-L189 HydrophobicContact CB-CG 3.97Å
153	Q	95.6	Very high	92.4	Very high	89 Å²	89	65 Å²	65	42%	0.416	34%	0.34	S	S	.	.	H	α-helix	trans	-61.1	-40.3	173.5	-75.7	172.4	5.5	0	0	111.6	L149 H150 T157 I188	L149-Q153 WeakPolarHBondContact O-CB 3.39Å; L149-Q153 VanDerWaalsContact O-CG 3.24Å; L149-Q153 WeakPolarHBondContact O-CG 3.32Å; L149-Q153 PolarHBondContact O-N 2.93Å; H150-Q153 PolarHBondContact O-N 3.03Å; Q153-T157 VanDerWaalsContact O-CB 3.29Å; Q153-T157 WeakPolarHBondContact O-CB 2.93Å; Q153-T157 PolarHBondContact O-N 3.28Å; Q153-T157 PolarHBondContact O-OG1 3.21Å; Q153-I188 HydrophobicContact CG-CD1 3.63Å; Q153-I188 HydrophobicContact CG-CG2 4.38Å
154	H	94.1	Very high	92.3	Very high	107 Å²	107	66 Å²	66	50%	0.495	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-44.3	176.4	176.8	-89.6	0	0	0	112	H150 D151 A152 T157 S158	H150-H154 WeakPolarHBondContact O-CB 3.33Å; H150-H154 PolarHBondContact O-N 3.3Å; D151-H154 PolarHBondContact O-N 3.13Å; A152-H154 VanDerWaalsContact C-N 3.31Å; A152-H154 PolarHBondContact O-N 2.8Å; H154-T157 PolarHBondContact O-N 2.85Å; H154-S158 VanDerWaalsContact O-CB 3.24Å; H154-S158 WeakPolarHBondContact O-CB 3.34Å; H154-S158 PolarHBondContact O-N 3.49Å; H154-S158 PolarHBondContact O-OG 2.92Å
155	W	94.8	Very high	92.4	Very high	19 Å²	19	68.4 Å²	68.4	7%	0.072	36%	0.357	C	S	.	.	H	α-helix	trans	-62.7	-42.8	175.5	-67.1	-38.4	0	0	0	112.2	D151 A152 S158 G159 Q160 Y161 K162 P173 L189 I192	D151-W155 HydrophobicContact CB-CH2 3.95Å; D151-W155 HydrophobicContact CB-CZ2 4.07Å; D151-W155 HydrophobicContact CB-CZ3 4.25Å; D151-W155 VanDerWaalsContact O-CD2 3.26Å; D151-W155 VanDerWaalsContact O-CG 3.31Å; D151-W155 PolarHBondContact O-N 2.69Å; A152-W155 PolarHBondContact O-N 2.98Å; W155-S158 PolarHBondContact O-OG 2.98Å; W155-G159 PolarHBondContact O-N 3.45Å; W155-Q160 VanDerWaalsContact CD1-O 3.26Å; W155-Y161 HydrophobicContact CB-CD2 4.31Å; W155-Y161 AromaticContact CD2-CD2 3.91Å; W155-Y161 HydrophobicContact CD2-CD2 3.91Å; W155-Y161 HydrophobicContact CD2-CE2 4.15Å; W155-Y161 AromaticContact CE3-CD2 3.95Å; W155-Y161 HydrophobicContact CE3-CD2 3.95Å; W155-Y161 AromaticContact CE3-CE2 3.77Å; W155-Y161 HydrophobicContact CE3-CE2 3.77Å; W155-Y161 HydrophobicContact CG-CD2 4.07Å; W155-Y161 HydrophobicContact CZ3-CE2 4.1Å; W155-K162 PolarHBondContact NE1-O 3.14Å; W155-P173 HydrophobicContact CH2-CB 4.1Å; W155-P173 HydrophobicContact CH2-CG 3.68Å; W155-P173 HydrophobicContact CZ3-CB 3.98Å; W155-P173 HydrophobicContact CZ3-CG 4Å; W155-L189 HydrophobicContact CE3-CD2 3.96Å; W155-L189 HydrophobicContact CZ3-CD2 3.87Å; W155-I192 HydrophobicContact CB-CD1 3.72Å; W155-I192 HydrophobicContact CB-CG1 4.46Å; W155-I192 HydrophobicContact CE3-CD1 4.04Å
156	L	93.2	Very high	92.1	Very high	65 Å²	65	68 Å²	68	34%	0.34	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-42.4	176.3	-174.8	62.2	0	0	0	111.9	A152 I188 Q191 I192	A152-L156 WeakPolarHBondContact O-CB 3.49Å; A152-L156 PolarHBondContact O-N 3.12Å; L156-I188 HydrophobicContact CB-CG2 4.26Å; L156-I188 HydrophobicContact CD2-CG2 3.93Å; L156-Q191 HydrophobicContact CD1-CB 4.07Å; L156-Q191 WeakPolarHBondContact CD1-O 3.17Å; L156-Q191 HydrophobicContact CD2-CB 4.33Å; L156-I192 HydrophobicContact CB-CG1 4.21Å; L156-I192 HydrophobicContact CD1-CG1 4.44Å
157	T	94.1	Very high	91.9	Very high	124 Å²	124	68 Å²	68	76%	0.761	37%	0.366	S	S	*	.	H	α-helix	trans	-72.7	-36.3	-179.1	-54.7	0	0	0	0	112.8	Q153 H154	Q153-T157 VanDerWaalsContact O-CB 3.29Å; Q153-T157 WeakPolarHBondContact O-CB 2.93Å; Q153-T157 PolarHBondContact O-N 3.28Å; Q153-T157 PolarHBondContact O-OG1 3.21Å; H154-T157 PolarHBondContact O-N 2.85Å
158	S	93.1	Very high	91.5	Very high	50 Å²	50	67.4 Å²	67.4	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-85.4	-14.9	-179.2	62.1	0	0	0	0	114.1	H154 W155 Q160	H154-S158 VanDerWaalsContact O-CB 3.24Å; H154-S158 WeakPolarHBondContact O-CB 3.34Å; H154-S158 PolarHBondContact O-N 3.49Å; H154-S158 PolarHBondContact O-OG 2.92Å; W155-S158 PolarHBondContact O-OG 2.98Å; S158-Q160 PolarHBondContact O-N 3.02Å; S158-Q160 VanDerWaalsContact O-N 3.16Å; S158-Q160 PolarHBondContact OG-N 3.49Å
159	G	88.8	Confident	91.2	Very high	50 Å²	50	66.9 Å²	66.9	52%	0.515	36%	0.355	S	S	.	.	S	Bend	trans	65.1	8.5	-173.4	0	0	0	0	0	114.5	W155	W155-G159 PolarHBondContact O-N 3.45Å
160	Q	87.3	Confident	91.2	Very high	115 Å²	115	65.2 Å²	65.2	54%	0.537	35%	0.347	S	S	.	.			trans	-113.1	87.6	-178.2	-71.3	-168.1	50.3	0	0	111	W155 S158 K162	W155-Q160 VanDerWaalsContact CD1-O 3.26Å; S158-Q160 PolarHBondContact O-N 3.02Å; S158-Q160 VanDerWaalsContact O-N 3.16Å; S158-Q160 PolarHBondContact OG-N 3.49Å; Q160-K162 PolarHBondContact O-N 2.99Å; Q160-K162 VanDerWaalsContact O-N 3.13Å
161	Y	90.6	Very high	91.1	Very high	50 Å²	50	59.7 Å²	59.7	20%	0.196	32%	0.322	C	S	.	.			trans	-71.3	106.3	170.6	-170	-129.8	0	0	0	110.7	W155 P163 I192 L195	W155-Y161 HydrophobicContact CB-CD2 4.31Å; W155-Y161 AromaticContact CD2-CD2 3.91Å; W155-Y161 HydrophobicContact CD2-CD2 3.91Å; W155-Y161 HydrophobicContact CD2-CE2 4.15Å; W155-Y161 AromaticContact CE3-CD2 3.95Å; W155-Y161 HydrophobicContact CE3-CD2 3.95Å; W155-Y161 AromaticContact CE3-CE2 3.77Å; W155-Y161 HydrophobicContact CE3-CE2 3.77Å; W155-Y161 HydrophobicContact CG-CD2 4.07Å; W155-Y161 HydrophobicContact CZ3-CE2 4.1Å; Y161-P163 HydrophobicContact CD1-CG 4.38Å; Y161-P163 HydrophobicContact CE1-CB 4.38Å; Y161-P163 HydrophobicContact CE1-CG 3.75Å; Y161-P163 HydrophobicContact CE2-CB 3.84Å; Y161-P163 HydrophobicContact CE2-CG 4.05Å; Y161-I192 HydrophobicContact CD2-CD1 4.16Å; Y161-I192 HydrophobicContact CD2-CG2 3.94Å; Y161-I192 HydrophobicContact CE2-CD1 4.43Å; Y161-I192 HydrophobicContact CG-CG2 3.82Å; Y161-L195 HydrophobicContact CD1-CB 4.47Å; Y161-L195 HydrophobicContact CE1-CB 4.29Å; Y161-L195 HydrophobicContact CE1-CD1 4Å; Y161-L195 HydrophobicContact CE1-CG 4.38Å; Y161-L195 HydrophobicContact CE2-CD1 4.12Å
162	K	88.1	Confident	91.1	Very high	145 Å²	145	59.1 Å²	59.1	63%	0.63	32%	0.319	S	S	*	.			trans	-132.2	79.8	171.8	-74.7	173.2	-179.2	155.6	0	107.4	W155 Q160	W155-K162 PolarHBondContact NE1-O 3.14Å; Q160-K162 PolarHBondContact O-N 2.99Å; Q160-K162 VanDerWaalsContact O-N 3.13Å
163	P	86.1	Confident	91.1	Very high	39 Å²	39	59.1 Å²	59.1	25%	0.253	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-64.2	141.5	-178.8	26.6	-34.4	0	0	0	110.8	Y161 I165 P173	Y161-P163 HydrophobicContact CD1-CG 4.38Å; Y161-P163 HydrophobicContact CE1-CB 4.38Å; Y161-P163 HydrophobicContact CE1-CG 3.75Å; Y161-P163 HydrophobicContact CE2-CB 3.84Å; Y161-P163 HydrophobicContact CE2-CG 4.05Å; P163-I165 HydrophobicContact CB-CD1 4.13Å; P163-I165 HydrophobicContact CG-CD1 3.99Å; P163-I165 PolarHBondContact O-N 3.37Å; P163-P173 VanDerWaalsContact CB-CD 3.49Å; P163-P173 HydrophobicContact CB-CG 3.64Å
164	V	88.7	Confident	91.2	Very high	68 Å²	68	55 Å²	55	41%	0.412	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-74.3	122.6	158.3	-179.4	0	0	0	0	106.6	I659	V164-I659 HydrophobicContact CB-CD1 4.17Å; V164-I659 HydrophobicContact CG1-CD1 4.25Å
165	I	91.7	Very high	91.3	Very high	75 Å²	75	50 Å²	50	39%	0.385	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-92.7	138.9	174.5	-55.2	-56.8	0	0	0	108	P163 G170 T172	P163-I165 HydrophobicContact CB-CD1 4.13Å; P163-I165 HydrophobicContact CG-CD1 3.99Å; P163-I165 PolarHBondContact O-N 3.37Å; I165-G170 WeakPolarHBondContact CG2-O 3.27Å; I165-T172 HydrophobicContact CD1-CG2 3.95Å
166	D	87.7	Confident	91.2	Very high	13 Å²	13	49.2 Å²	49.2	7%	0.07	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-65.2	127.8	175.7	-177.2	-90.4	0	0	0	111.2	R168 T169 G170 A171	D166-R168 VanDerWaalsContact C-N 3.32Å; D166-R168 PolarHBondContact O-N 3.33Å; D166-R168 VanDerWaalsContact OD1-CA 3.32Å; D166-R168 WeakPolarHBondContact OD1-CA 3.47Å; D166-R168 WeakPolarHBondContact OD1-CB 3.37Å; D166-R168 PolarHBondContact OD1-N 3.19Å; D166-T169 PolarHBondContact OD1-N 2.85Å; D166-T169 PolarHBondContact OD1-OG1 3.08Å; D166-G170 VanDerWaalsContact O-CA 3.26Å; D166-G170 WeakPolarHBondContact O-CA 3.45Å; D166-G170 PolarHBondContact O-N 2.89Å; D166-A171 HydrophobicContact CB-CB 4.16Å; D166-A171 PolarHBondContact N-O 2.88Å
167	P	89.3	Confident	91.3	Very high	116 Å²	116	46.1 Å²	46.1	75%	0.753	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-13.1	-175.5	31.6	-36.9	0	0	0	114.3
168	R	84	Confident	91.5	Very high	89 Å²	89	40.2 Å²	40.2	34%	0.336	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-34.6	-179.5	177	155.1	61.7	106	-11.4	111.9	H75 D166 V661 M663	H75-R168 PolarHBondContact O-NH1 2.96Å; H75-R168 PolarHBondContact O-NH2 3.33Å; D166-R168 VanDerWaalsContact C-N 3.32Å; D166-R168 PolarHBondContact O-N 3.33Å; D166-R168 VanDerWaalsContact OD1-CA 3.32Å; D166-R168 WeakPolarHBondContact OD1-CA 3.47Å; D166-R168 WeakPolarHBondContact OD1-CB 3.37Å; D166-R168 PolarHBondContact OD1-N 3.19Å; R168-V661 HydrophobicContact CB-CG1 4.18Å; R168-V661 HydrophobicContact CG-CG1 4.28Å; R168-M663 PolarHBondContact NH1-SD 2.88Å
169	T	88.1	Confident	91.4	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.049	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-8.7	-174.8	71.6	0	0	0	0	114.6	D166 A171 D201 F202 V661 V662 M663	D166-T169 PolarHBondContact OD1-N 2.85Å; D166-T169 PolarHBondContact OD1-OG1 3.08Å; T169-A171 PolarHBondContact O-N 3.5Å; T169-D201 WeakPolarHBondContact O-CB 3.36Å; T169-F202 VanDerWaalsContact O-CB 3.27Å; T169-F202 WeakPolarHBondContact O-CB 3.41Å; T169-F202 WeakPolarHBondContact O-CG 3.47Å; T169-F202 PolarHBondContact O-N 3.43Å; T169-V661 HydrophobicContact CG2-CG1 3.5Å; T169-V661 VanDerWaalsContact CG2-CG1 3.5Å; T169-V662 VanDerWaalsContact CB-O 3.22Å; T169-V662 WeakPolarHBondContact CB-O 3.25Å; T169-V662 VanDerWaalsContact CG2-O 3.29Å; T169-V662 WeakPolarHBondContact CG2-O 3.35Å; T169-V662 PolarHBondContact OG1-O 3.36Å; T169-M663 HydrophobicContact CG2-CG 4.26Å
170	G	93.6	Very high	91.5	Very high	4 Å²	4	36.6 Å²	36.6	4%	0.041	19%	0.186	C	C	.	.			trans	74.9	7.8	-178.3	0	0	0	0	0	113.9	I165 D166 T172	I165-G170 WeakPolarHBondContact CG2-O 3.27Å; D166-G170 VanDerWaalsContact O-CA 3.26Å; D166-G170 WeakPolarHBondContact O-CA 3.45Å; D166-G170 PolarHBondContact O-N 2.89Å; G170-T172 PolarHBondContact O-N 2.83Å
171	A	94.1	Very high	91.8	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.017	17%	0.173	C	C	.	.			trans	-61.1	133.7	-179.3	0	0	0	0	0	111.7	D166 T169 H175 V662	D166-A171 HydrophobicContact CB-CB 4.16Å; D166-A171 PolarHBondContact N-O 2.88Å; T169-A171 PolarHBondContact O-N 3.5Å; A171-H175 HydrophobicContact CB-CB 4.13Å; A171-V662 HydrophobicContact CB-CB 4.2Å
172	T	95.3	Very high	92.1	Very high	13 Å²	13	31.9 Å²	31.9	8%	0.08	17%	0.167	C	C	.	.			trans	-84.5	162.3	170.7	80.5	0	0	0	0	110.6	I165 G170 L174 H175 V176 A199	I165-T172 HydrophobicContact CD1-CG2 3.95Å; G170-T172 PolarHBondContact O-N 2.83Å; T172-L174 PolarHBondContact O-N 3.18Å; T172-L174 PolarHBondContact OG1-N 2.91Å; T172-H175 PolarHBondContact N-ND1 2.91Å; T172-H175 WeakPolarHBondContact O-CB 3.25Å; T172-H175 PolarHBondContact O-N 3.12Å; T172-H175 PolarHBondContact OG1-ND1 2.9Å; T172-V176 PolarHBondContact O-N 3.09Å; T172-A199 HydrophobicContact CG2-CB 3.94Å
173	P	95.4	Very high	92.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-54	-26.6	173.4	-28.3	36.7	0	0	0	114.2	L148 W155 P163 A177	L148-P173 HydrophobicContact CD1-CB 3.78Å; W155-P173 HydrophobicContact CH2-CB 4.1Å; W155-P173 HydrophobicContact CH2-CG 3.68Å; W155-P173 HydrophobicContact CZ3-CB 3.98Å; W155-P173 HydrophobicContact CZ3-CG 4Å; P163-P173 VanDerWaalsContact CB-CD 3.49Å; P163-P173 HydrophobicContact CB-CG 3.64Å; P173-A177 WeakPolarHBondContact O-CB 3.11Å; P173-A177 PolarHBondContact O-N 2.9Å; P173-A177 VanDerWaalsContact O-N 3.11Å
174	L	96.7	Very high	93	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-72	-33	174.8	-168.7	71.3	0	0	0	112.9	T172 A178 L189 L190 L195 A207 L223	T172-L174 PolarHBondContact O-N 3.18Å; T172-L174 PolarHBondContact OG1-N 2.91Å; L174-A178 WeakPolarHBondContact O-CB 3.36Å; L174-A178 PolarHBondContact O-N 2.81Å; L174-L189 HydrophobicContact CD1-CB 4.14Å; L174-L189 HydrophobicContact CD1-CD1 4.25Å; L174-L190 HydrophobicContact CD1-CD2 4.03Å; L174-L190 HydrophobicContact CD1-CG 4.33Å; L174-L195 HydrophobicContact CD2-CD2 4.14Å; L174-A207 HydrophobicContact CB-CB 4.37Å; L174-A207 HydrophobicContact CD2-CB 3.82Å; L174-A207 HydrophobicContact CG-CB 3.75Å; L174-L223 HydrophobicContact CD1-CD2 4.32Å; L174-L223 HydrophobicContact CD2-CD2 4Å; L174-L223 HydrophobicContact CG-CD2 4.24Å
175	H	96.2	Very high	93.3	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-45.1	175.9	-69.5	74.1	0	0	0	110.9	A171 T172 A178 C179 A199 W205 T206 A207	A171-H175 HydrophobicContact CB-CB 4.13Å; T172-H175 PolarHBondContact N-ND1 2.91Å; T172-H175 WeakPolarHBondContact O-CB 3.25Å; T172-H175 PolarHBondContact O-N 3.12Å; T172-H175 PolarHBondContact OG1-ND1 2.9Å; H175-A178 PolarHBondContact O-N 2.9Å; H175-C179 PolarHBondContact O-N 2.63Å; H175-A199 PolarHBondContact CE1-O 3.31Å; H175-A199 PolarHBondContact NE2-O 2.85Å; H175-W205 PolarHBondContact NE2-O 2.71Å; H175-T206 VanDerWaalsContact NE2-C 3.3Å; H175-T206 WeakPolarHBondContact NE2-CA 2.99Å; H175-A207 PolarHBondContact NE2-N 3.45Å
176	V	93.4	Very high	93.6	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-60.3	-50.2	177.1	-176.1	0	0	0	0	109.8	T172 A178 C179 K180 I659 V662	T172-V176 PolarHBondContact O-N 3.09Å; V176-A178 VanDerWaalsContact C-N 3.26Å; V176-A178 PolarHBondContact O-N 2.86Å; V176-C179 PolarHBondContact O-N 3.23Å; V176-C179 PolarHBondContact O-SG 3.41Å; V176-C179 VanDerWaalsContact O-SG 3.33Å; V176-K180 HydrophobicContact CG1-CG 4.38Å; V176-K180 WeakPolarHBondContact O-CG 3.35Å; V176-K180 PolarHBondContact O-N 2.9Å; V176-I659 HydrophobicContact CB-CG2 4.33Å; V176-I659 HydrophobicContact CG1-CG2 4.13Å; V176-I659 HydrophobicContact CG2-CG2 3.39Å; V176-V662 HydrophobicContact CB-CG2 4.36Å; V176-V662 HydrophobicContact CG2-CG2 3.89Å
177	A	95.9	Very high	94	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.6	-41.8	177.3	0	0	0	0	0	112.2	L148 P173 D181 Y182 M186 L189	L148-A177 HydrophobicContact CD2-CB 3.93Å; P173-A177 WeakPolarHBondContact O-CB 3.11Å; P173-A177 PolarHBondContact O-N 2.9Å; P173-A177 VanDerWaalsContact O-N 3.11Å; A177-D181 WeakPolarHBondContact O-CA 3.5Å; A177-D181 PolarHBondContact O-N 3.42Å; A177-Y182 PolarHBondContact O-N 3.43Å; A177-M186 HydrophobicContact CB-CG 3.43Å; A177-M186 VanDerWaalsContact CB-CG 3.43Å; A177-M186 HydrophobicContact CB-SD 4.37Å; A177-L189 HydrophobicContact CB-CD1 3.88Å
178	A	96.6	Very high	94.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-75.3	-30.2	-177.6	0	0	0	0	0	115	L174 H175 V176 M186 A207 A211 R216 S219 L223	L174-A178 WeakPolarHBondContact O-CB 3.36Å; L174-A178 PolarHBondContact O-N 2.81Å; H175-A178 PolarHBondContact O-N 2.9Å; V176-A178 VanDerWaalsContact C-N 3.26Å; V176-A178 PolarHBondContact O-N 2.86Å; A178-M186 HydrophobicContact CB-CE 4.01Å; A178-M186 HydrophobicContact CB-SD 4.35Å; A178-A207 HydrophobicContact CB-CB 4.07Å; A178-A207 WeakPolarHBondContact CB-O 3.43Å; A178-A211 HydrophobicContact CB-CB 4.31Å; A178-R216 WeakPolarHBondContact O-CG 3.27Å; A178-S219 WeakPolarHBondContact O-CB 3.45Å; A178-S219 PolarHBondContact O-OG 2.93Å; A178-L223 HydrophobicContact CB-CD1 3.91Å
179	C	92.3	Very high	94.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-83.9	-29.4	175.6	71.7	0	0	0	0	113	H175 V176 A210 W214 R216 V662	H175-C179 PolarHBondContact O-N 2.63Å; V176-C179 PolarHBondContact O-N 3.23Å; V176-C179 PolarHBondContact O-SG 3.41Å; V176-C179 VanDerWaalsContact O-SG 3.33Å; C179-A210 HydrophobicContact CB-CB 4.3Å; C179-W214 HydrophobicContact CB-CD2 4.1Å; C179-W214 HydrophobicContact CB-CE3 4.31Å; C179-W214 HydrophobicContact CB-CG 4.28Å; C179-R216 PolarHBondContact O-NE 2.93Å; C179-R216 PolarHBondContact O-NH2 3.42Å; C179-V662 HydrophobicContact CB-CG1 4.43Å; C179-V662 WeakPolarHBondContact SG-CG2 3.34Å
180	K	91.2	Very high	95.3	Very high	25 Å²	25	21.7 Å²	21.7	11%	0.109	11%	0.108	C	C	.	.	H	α-helix	trans	-88.1	-9.6	177.1	-54.2	-51.1	173.6	-165.6	0	113.6	V108 V176 Y182 S660	V108-K180 WeakPolarHBondContact O-CE 3.49Å; V108-K180 PolarHBondContact O-NZ 2.98Å; V176-K180 HydrophobicContact CG1-CG 4.38Å; V176-K180 WeakPolarHBondContact O-CG 3.35Å; V176-K180 PolarHBondContact O-N 2.9Å; K180-Y182 VanDerWaalsContact C-N 3.34Å; K180-Y182 HydrophobicContact CB-CD1 3.93Å; K180-Y182 HydrophobicContact CB-CD2 3.76Å; K180-Y182 HydrophobicContact CB-CE1 3.78Å; K180-Y182 HydrophobicContact CB-CE2 3.61Å; K180-Y182 HydrophobicContact CB-CG 3.93Å; K180-Y182 HydrophobicContact CG-CD2 4.27Å; K180-Y182 HydrophobicContact CG-CE2 3.77Å; K180-S660 VanDerWaalsContact CE-OG 3.25Å; K180-S660 WeakPolarHBondContact CE-OG 3.33Å
181	D	93.6	Very high	95.4	Very high	51 Å²	51	27 Å²	27	27%	0.273	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	39.1	-173.6	-149	45.4	0	0	0	113.5	A177 T183 R216 S219	A177-D181 WeakPolarHBondContact O-CA 3.5Å; A177-D181 PolarHBondContact O-N 3.42Å; D181-T183 PolarHBondContact O-N 3.38Å; D181-R216 HydrophobicContact CB-CB 4.25Å; D181-R216 HydrophobicContact CB-CG 4.16Å; D181-S219 WeakPolarHBondContact CA-OG 3.46Å; D181-S219 WeakPolarHBondContact OD1-CB 3.11Å; D181-S219 PolarHBondContact OD1-N 3.29Å; D181-S219 PolarHBondContact OD1-OG 2.8Å
182	Y	95.7	Very high	95.4	Very high	14 Å²	14	27.2 Å²	27.2	6%	0.055	13%	0.133	C	C	.	.			trans	-74.1	61.7	173.4	-63.1	-31.5	0	0	0	111.1	L110 E144 E145 L148 A177 K180 K184 A185 M186	L110-Y182 HydrophobicContact CD1-CE1 4.37Å; L110-Y182 WeakPolarHBondContact CD1-OH 3.17Å; E144-Y182 HydrophobicContact CG-CE2 4.05Å; E144-Y182 PolarHBondContact OE2-OH 2.71Å; E145-Y182 HydrophobicContact CB-CD1 3.85Å; E145-Y182 HydrophobicContact CB-CE1 3.76Å; E145-Y182 HydrophobicContact CB-CG 4.29Å; E145-Y182 HydrophobicContact CG-CD1 3.73Å; E145-Y182 HydrophobicContact CG-CE1 4.19Å; E145-Y182 HydrophobicContact CG-CG 3.99Å; L148-Y182 HydrophobicContact CD2-CD2 3.8Å; A177-Y182 PolarHBondContact O-N 3.43Å; K180-Y182 VanDerWaalsContact C-N 3.34Å; K180-Y182 HydrophobicContact CB-CD1 3.93Å; K180-Y182 HydrophobicContact CB-CD2 3.76Å; K180-Y182 HydrophobicContact CB-CE1 3.78Å; K180-Y182 HydrophobicContact CB-CE2 3.61Å; K180-Y182 HydrophobicContact CB-CG 3.93Å; K180-Y182 HydrophobicContact CG-CD2 4.27Å; K180-Y182 HydrophobicContact CG-CE2 3.77Å; Y182-K184 VanDerWaalsContact C-N 3.28Å; Y182-K184 PolarHBondContact O-N 3.29Å; Y182-K184 VanDerWaalsContact O-N 3.17Å; Y182-A185 WeakPolarHBondContact O-CA 3.36Å; Y182-A185 WeakPolarHBondContact O-CB 3.42Å; Y182-A185 PolarHBondContact O-N 3.11Å; Y182-M186 PolarHBondContact O-N 3.33Å
183	T	96.3	Very high	95.2	Very high	47 Å²	47	31 Å²	31	29%	0.288	16%	0.157	S	C	.	.	H	α-helix	trans	-47.7	-43.3	-176.3	47.8	0	0	0	0	113.5	D181 A185 M186 E187 A218 M222	D181-T183 PolarHBondContact O-N 3.38Å; T183-A185 PolarHBondContact O-N 3.28Å; T183-M186 PolarHBondContact O-N 3.34Å; T183-E187 PolarHBondContact O-N 3.3Å; T183-A218 HydrophobicContact CG2-CB 3.62Å; T183-M222 HydrophobicContact CG2-SD 4.03Å; T183-M222 WeakPolarHBondContact O-CE 3.4Å
184	K	96.3	Very high	94.9	Very high	107 Å²	107	34.6 Å²	34.6	47%	0.465	20%	0.195	S	C	.	.	H	α-helix	trans	-63	-39.7	177.2	-49	-172	-147.7	82.3	0	112.5	E145 L149 Y182 I188	E145-K184 IonicContact OE1-NZ 2.72Å; E145-K184 PolarHBondContact OE1-NZ 3.43Å; E145-K184 IonicContact OE2-NZ 3.19Å; E145-K184 PolarHBondContact OE2-NZ 2.68Å; L149-K184 HydrophobicContact CD1-CB 3.81Å; Y182-K184 VanDerWaalsContact C-N 3.28Å; Y182-K184 PolarHBondContact O-N 3.29Å; Y182-K184 VanDerWaalsContact O-N 3.17Å; K184-I188 WeakPolarHBondContact O-CG1 3.42Å
185	A	96.3	Very high	94.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.4	-41.7	175	0	0	0	0	0	110.7	L148 Y182 T183 E187 I188 L189	L148-A185 HydrophobicContact CD2-CB 4Å; L148-A185 HydrophobicContact CG-CB 3.97Å; Y182-A185 WeakPolarHBondContact O-CA 3.36Å; Y182-A185 WeakPolarHBondContact O-CB 3.42Å; Y182-A185 PolarHBondContact O-N 3.11Å; T183-A185 PolarHBondContact O-N 3.28Å; A185-E187 VanDerWaalsContact C-N 3.34Å; A185-E187 PolarHBondContact O-N 3.36Å; A185-I188 PolarHBondContact O-N 3.09Å; A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 VanDerWaalsContact O-CG 3.23Å; A185-L189 WeakPolarHBondContact O-CG 3.46Å; A185-L189 PolarHBondContact O-N 3.37Å
186	M	97.2	Very high	94.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-41	175.1	-65.9	-175.7	72.4	0	0	112.9	A177 A178 Y182 T183 I188 L189 L190 S219 M222 L223	A177-M186 HydrophobicContact CB-CG 3.43Å; A177-M186 VanDerWaalsContact CB-CG 3.43Å; A177-M186 HydrophobicContact CB-SD 4.37Å; A178-M186 HydrophobicContact CB-CE 4.01Å; A178-M186 HydrophobicContact CB-SD 4.35Å; Y182-M186 PolarHBondContact O-N 3.33Å; T183-M186 PolarHBondContact O-N 3.34Å; M186-I188 PolarHBondContact O-N 3.47Å; M186-L189 PolarHBondContact O-N 2.88Å; M186-L190 VanDerWaalsContact O-CB 3.32Å; M186-L190 WeakPolarHBondContact O-CB 3.36Å; M186-L190 WeakPolarHBondContact O-CG 3.33Å; M186-L190 PolarHBondContact O-N 3.36Å; M186-S219 PolarHBondContact SD-OG 3.06Å; M186-M222 HydrophobicContact CB-CE 3.77Å; M186-M222 HydrophobicContact CB-SD 4.26Å; M186-M222 HydrophobicContact CE-CB 4.45Å; M186-L223 HydrophobicContact CE-CD1 3.79Å; M186-L223 HydrophobicContact CE-CD2 3.98Å; M186-L223 HydrophobicContact CE-CG 3.56Å
187	E	96.7	Very high	94.9	Very high	119 Å²	119	41.3 Å²	41.3	56%	0.556	23%	0.23	S	C	*	.	H	α-helix	trans	-57.8	-39.7	178.1	-174.5	176.7	-170.6	0	0	111.2	T183 A185 Q191 M222	T183-E187 PolarHBondContact O-N 3.3Å; A185-E187 VanDerWaalsContact C-N 3.34Å; A185-E187 PolarHBondContact O-N 3.36Å; E187-Q191 WeakPolarHBondContact O-CG 3.4Å; E187-Q191 PolarHBondContact O-NE2 3.39Å; E187-M222 HydrophobicContact CB-CE 3.83Å
188	I	96.3	Very high	94.9	Very high	26 Å²	26	43.6 Å²	43.6	13%	0.133	24%	0.242	C	C	.	.	H	α-helix	trans	-79.2	-43.9	178.6	-59.4	178.5	0	0	0	110.9	L149 A152 Q153 L156 K184 A185 M186 L190 Q191	L149-I188 HydrophobicContact CD1-CD1 3.76Å; L149-I188 HydrophobicContact CG-CD1 4.38Å; A152-I188 HydrophobicContact CB-CB 4.23Å; A152-I188 HydrophobicContact CB-CG2 3.84Å; Q153-I188 HydrophobicContact CG-CD1 3.63Å; Q153-I188 HydrophobicContact CG-CG2 4.38Å; L156-I188 HydrophobicContact CB-CG2 4.26Å; L156-I188 HydrophobicContact CD2-CG2 3.93Å; K184-I188 WeakPolarHBondContact O-CG1 3.42Å; A185-I188 PolarHBondContact O-N 3.09Å; M186-I188 PolarHBondContact O-N 3.47Å; I188-L190 VanDerWaalsContact C-N 3.33Å; I188-L190 PolarHBondContact O-N 2.9Å; I188-Q191 WeakPolarHBondContact O-CB 3.39Å; I188-Q191 PolarHBondContact O-N 3.31Å; I188-Q191 VanDerWaalsContact O-N 3.09Å
189	L	96.4	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-57.4	-44.7	177.8	-72.8	170.5	0	0	0	111.7	A152 W155 L174 A177 A185 M186 Q191 I192 L195	A152-L189 HydrophobicContact CB-CD2 3.77Å; A152-L189 HydrophobicContact CB-CG 3.97Å; W155-L189 HydrophobicContact CE3-CD2 3.96Å; W155-L189 HydrophobicContact CZ3-CD2 3.87Å; L174-L189 HydrophobicContact CD1-CB 4.14Å; L174-L189 HydrophobicContact CD1-CD1 4.25Å; A177-L189 HydrophobicContact CB-CD1 3.88Å; A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 VanDerWaalsContact O-CG 3.23Å; A185-L189 WeakPolarHBondContact O-CG 3.46Å; A185-L189 PolarHBondContact O-N 3.37Å; M186-L189 PolarHBondContact O-N 2.88Å; L189-Q191 PolarHBondContact O-N 3.04Å; L189-Q191 VanDerWaalsContact O-N 3.17Å; L189-I192 HydrophobicContact CD2-CD1 3.83Å; L189-I192 WeakPolarHBondContact O-CB 3.47Å; L189-I192 PolarHBondContact O-N 3.47Å; L189-L195 HydrophobicContact CB-CD1 4.28Å
190	L	96.4	Very high	95.1	Very high	41 Å²	41	48.7 Å²	48.7	22%	0.215	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-7.1	-179.9	-65.8	169.6	0	0	0	113.8	L174 M186 I188 L195 I197 M222 L223 A226	L174-L190 HydrophobicContact CD1-CD2 4.03Å; L174-L190 HydrophobicContact CD1-CG 4.33Å; M186-L190 VanDerWaalsContact O-CB 3.32Å; M186-L190 WeakPolarHBondContact O-CB 3.36Å; M186-L190 WeakPolarHBondContact O-CG 3.33Å; M186-L190 PolarHBondContact O-N 3.36Å; I188-L190 VanDerWaalsContact C-N 3.33Å; I188-L190 PolarHBondContact O-N 2.9Å; L190-L195 HydrophobicContact CD2-CD2 4Å; L190-I197 HydrophobicContact CD2-CD1 4.36Å; L190-I197 HydrophobicContact CD2-CG1 4.16Å; L190-M222 HydrophobicContact CD1-CB 4.14Å; L190-L223 HydrophobicContact CD2-CD2 4.28Å; L190-A226 HydrophobicContact CD1-CB 4.09Å; L190-A226 HydrophobicContact CD2-CB 3.85Å; L190-A226 HydrophobicContact CG-CB 4.39Å
191	Q	95.1	Very high	95.3	Very high	114 Å²	114	48.1 Å²	48.1	53%	0.533	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-8.7	170.7	-69.6	173.1	68.5	0	0	113.3	L156 E187 I188 L189 P193	L156-Q191 HydrophobicContact CD1-CB 4.07Å; L156-Q191 WeakPolarHBondContact CD1-O 3.17Å; L156-Q191 HydrophobicContact CD2-CB 4.33Å; E187-Q191 WeakPolarHBondContact O-CG 3.4Å; E187-Q191 PolarHBondContact O-NE2 3.39Å; I188-Q191 WeakPolarHBondContact O-CB 3.39Å; I188-Q191 PolarHBondContact O-N 3.31Å; I188-Q191 VanDerWaalsContact O-N 3.09Å; L189-Q191 PolarHBondContact O-N 3.04Å; L189-Q191 VanDerWaalsContact O-N 3.17Å; Q191-P193 WeakPolarHBondContact O-CD 3.42Å
192	I	94.2	Very high	95.3	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.041	28%	0.275	C	S	.	.	S	Bend	trans	-73.9	123.4	-175.4	-63.2	172.4	0	0	0	110.8	W155 L156 Y161 L189 G194 L195	W155-I192 HydrophobicContact CB-CD1 3.72Å; W155-I192 HydrophobicContact CB-CG1 4.46Å; W155-I192 HydrophobicContact CE3-CD1 4.04Å; L156-I192 HydrophobicContact CB-CG1 4.21Å; L156-I192 HydrophobicContact CD1-CG1 4.44Å; Y161-I192 HydrophobicContact CD2-CD1 4.16Å; Y161-I192 HydrophobicContact CD2-CG2 3.94Å; Y161-I192 HydrophobicContact CE2-CD1 4.43Å; Y161-I192 HydrophobicContact CG-CG2 3.82Å; L189-I192 HydrophobicContact CD2-CD1 3.83Å; L189-I192 WeakPolarHBondContact O-CB 3.47Å; L189-I192 PolarHBondContact O-N 3.47Å; I192-G194 PolarHBondContact O-N 2.64Å; I192-L195 HydrophobicContact CB-CB 4.33Å; I192-L195 WeakPolarHBondContact O-CB 3.49Å; I192-L195 PolarHBondContact O-N 3.06Å
193	P	91.1	Very high	95.2	Very high	92 Å²	92	52.9 Å²	52.9	60%	0.597	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	130.6	174.7	-23.3	34.6	0	0	0	112.2	Q191	Q191-P193 WeakPolarHBondContact O-CD 3.42Å
194	G	89.7	Confident	95.2	Very high	77 Å²	77	50.9 Å²	50.9	79%	0.794	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	8.2	179.2	0	0	0	0	0	115.4	I192 D196	I192-G194 PolarHBondContact O-N 2.64Å; G194-D196 PolarHBondContact O-N 3.48Å
195	L	94.7	Very high	95.2	Very high	22 Å²	22	46.9 Å²	46.9	12%	0.115	26%	0.258	C	S	.	.			trans	-68.8	117.5	168.2	179.1	117.1	0	0	0	110.5	Y161 L174 L189 L190 I192 I197	Y161-L195 HydrophobicContact CD1-CB 4.47Å; Y161-L195 HydrophobicContact CE1-CB 4.29Å; Y161-L195 HydrophobicContact CE1-CD1 4Å; Y161-L195 HydrophobicContact CE1-CG 4.38Å; Y161-L195 HydrophobicContact CE2-CD1 4.12Å; L174-L195 HydrophobicContact CD2-CD2 4.14Å; L189-L195 HydrophobicContact CB-CD1 4.28Å; L190-L195 HydrophobicContact CD2-CD2 4Å; I192-L195 HydrophobicContact CB-CB 4.33Å; I192-L195 WeakPolarHBondContact O-CB 3.49Å; I192-L195 PolarHBondContact O-N 3.06Å; L195-I197 HydrophobicContact CD2-CG1 3.88Å; L195-I197 PolarHBondContact O-N 2.99Å
196	D	95.1	Very high	95.3	Very high	91 Å²	91	46.9 Å²	46.9	49%	0.487	26%	0.259	S	S	.	.			trans	-78.7	112.9	168.5	-179.8	12.8	0	0	0	110.6	G194 N198 A199	G194-D196 PolarHBondContact O-N 3.48Å; D196-N198 VanDerWaalsContact C-N 3.32Å; D196-N198 PolarHBondContact OD1-N 3.29Å; D196-A199 HydrophobicContact CB-CB 4.1Å; D196-A199 VanDerWaalsContact CG-N 3.28Å; D196-A199 WeakPolarHBondContact O-CB 3.43Å; D196-A199 PolarHBondContact OD1-N 2.78Å; D196-A199 VanDerWaalsContact OD2-CA 3.3Å; D196-A199 WeakPolarHBondContact OD2-CA 3.5Å; D196-A199 PolarHBondContact OD2-N 3.26Å
197	I	95.8	Very high	95.3	Very high	33 Å²	33	46.9 Å²	46.9	17%	0.169	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-27.9	178.9	-59.7	171.5	0	0	0	111.3	L190 L195 L223 A226 A228	L190-I197 HydrophobicContact CD2-CD1 4.36Å; L190-I197 HydrophobicContact CD2-CG1 4.16Å; L195-I197 HydrophobicContact CD2-CG1 3.88Å; L195-I197 PolarHBondContact O-N 2.99Å; I197-L223 HydrophobicContact CG2-CD2 4.19Å; I197-A226 HydrophobicContact CD1-CB 3.95Å; I197-A226 VanDerWaalsContact CD1-O 3.23Å; I197-A226 WeakPolarHBondContact CD1-O 3.42Å; I197-A228 HydrophobicContact CG2-CB 3.65Å
198	N	96.9	Very high	95.4	Very high	48 Å²	48	41.3 Å²	41.3	26%	0.257	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	13.8	-177.5	-56.3	-58.1	0	0	0	112.4	D196 T206 S229	D196-N198 VanDerWaalsContact C-N 3.32Å; D196-N198 PolarHBondContact OD1-N 3.29Å; N198-T206 WeakPolarHBondContact O-CG2 3.32Å; N198-S229 WeakPolarHBondContact OD1-CB 3.22Å; N198-S229 PolarHBondContact OD1-N 2.89Å
199	A	96.3	Very high	95.4	Very high	19 Å²	19	40 Å²	40	16%	0.157	23%	0.226	C	C	.	.			trans	-51.1	141.9	173.6	0	0	0	0	0	110.3	T172 H175 D196	T172-A199 HydrophobicContact CG2-CB 3.94Å; H175-A199 PolarHBondContact CE1-O 3.31Å; H175-A199 PolarHBondContact NE2-O 2.85Å; D196-A199 HydrophobicContact CB-CB 4.1Å; D196-A199 VanDerWaalsContact CG-N 3.28Å; D196-A199 WeakPolarHBondContact O-CB 3.43Å; D196-A199 PolarHBondContact OD1-N 2.78Å; D196-A199 VanDerWaalsContact OD2-CA 3.3Å; D196-A199 WeakPolarHBondContact OD2-CA 3.5Å; D196-A199 PolarHBondContact OD2-N 3.26Å
200	K	96.1	Very high	95.4	Very high	89 Å²	89	40.1 Å²	40.1	39%	0.387	23%	0.227	S	C	.	.			trans	-114.4	140.4	-176.2	-72.1	-174.8	179.5	-174.2	0	113.2	G204 W205 T206 E232 H233	K200-G204 WeakPolarHBondContact CD-O 3.04Å; K200-W205 VanDerWaalsContact CA-O 3.25Å; K200-W205 WeakPolarHBondContact CA-O 3.24Å; K200-T206 HydrophobicContact CG-CG2 3.85Å; K200-E232 WeakPolarHBondContact CE-OE2 3.46Å; K200-E232 IonicContact NZ-OE2 3.46Å; K200-E232 PolarHBondContact NZ-OE2 2.86Å; K200-H233 PolarHBondContact NZ-O 2.86Å
201	D	95.6	Very high	95.4	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.07	22%	0.217	C	C	.	.			trans	-82.5	-171.9	173.8	73.9	5.8	0	0	0	112.7	T169 D203 G204 W205	T169-D201 WeakPolarHBondContact O-CB 3.36Å; D201-D203 PolarHBondContact O-N 2.71Å; D201-D203 WeakPolarHBondContact OD1-CA 3.27Å; D201-D203 PolarHBondContact OD1-N 2.88Å; D201-G204 PolarHBondContact O-N 2.9Å; D201-G204 VanDerWaalsContact O-N 3.12Å; D201-G204 PolarHBondContact OD1-N 3.12Å; D201-W205 PolarHBondContact N-O 2.74Å; D201-W205 VanDerWaalsContact N-O 3.15Å; D201-W205 PolarHBondContact OD1-N 3.22Å
202	F	94	Very high	95.5	Very high	102 Å²	102	32.8 Å²	32.8	45%	0.447	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.1	180	-62.3	-17	0	0	0	114.3	T169 R235	T169-F202 VanDerWaalsContact O-CB 3.27Å; T169-F202 WeakPolarHBondContact O-CB 3.41Å; T169-F202 WeakPolarHBondContact O-CG 3.47Å; T169-F202 PolarHBondContact O-N 3.43Å; F202-R235 VanDerWaalsContact O-CD 3.23Å; F202-R235 WeakPolarHBondContact O-CD 3.21Å; F202-R235 PolarHBondContact O-NE 3.19Å; F202-R235 PolarHBondContact O-NH1 3.29Å
203	D	92.6	Very high	95.5	Very high	62 Å²	62	35.5 Å²	35.5	33%	0.332	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	1.3	170.8	-71.9	-77.4	0	0	0	111.8	D201 W205 R235 A664	D201-D203 PolarHBondContact O-N 2.71Å; D201-D203 WeakPolarHBondContact OD1-CA 3.27Å; D201-D203 PolarHBondContact OD1-N 2.88Å; D203-W205 VanDerWaalsContact C-N 3.27Å; D203-W205 VanDerWaalsContact CB-CD1 3.5Å; D203-R235 WeakPolarHBondContact O-CB 3.48Å; D203-R235 WeakPolarHBondContact O-CG 3.32Å; D203-R235 PolarHBondContact O-N 2.94Å; D203-A664 HydrophobicContact CB-CB 4.46Å; D203-A664 WeakPolarHBondContact OD2-CB 3.22Å
204	G	95.9	Very high	95.5	Very high	5 Å²	5	33.8 Å²	33.8	5%	0.052	19%	0.185	C	C	.	.			trans	77.3	10.3	-179.5	0	0	0	0	0	114	K200 D201 T234	K200-G204 WeakPolarHBondContact CD-O 3.04Å; D201-G204 PolarHBondContact O-N 2.9Å; D201-G204 VanDerWaalsContact O-N 3.12Å; D201-G204 PolarHBondContact OD1-N 3.12Å; G204-T234 WeakPolarHBondContact O-CA 3.49Å
205	W	97.1	Very high	95.7	Very high	23 Å²	23	33.1 Å²	33.1	9%	0.087	16%	0.164	C	C	.	.			trans	-71	150.9	175.4	-68.9	55.2	0	0	0	109.6	H175 K200 D201 D203 H209 H213 W214 T234 V243 P665	H175-W205 PolarHBondContact NE2-O 2.71Å; K200-W205 VanDerWaalsContact CA-O 3.25Å; K200-W205 WeakPolarHBondContact CA-O 3.24Å; D201-W205 PolarHBondContact N-O 2.74Å; D201-W205 VanDerWaalsContact N-O 3.15Å; D201-W205 PolarHBondContact OD1-N 3.22Å; D203-W205 VanDerWaalsContact C-N 3.27Å; D203-W205 VanDerWaalsContact CB-CD1 3.5Å; W205-H209 HydrophobicContact CB-CB 4.1Å; W205-H209 HydrophobicContact CD2-CB 3.99Å; W205-H209 HydrophobicContact CE3-CB 3.45Å; W205-H209 VanDerWaalsContact CE3-CB 3.45Å; W205-H209 HydrophobicContact CG-CB 4.29Å; W205-H209 HydrophobicContact CZ3-CB 4.13Å; W205-H209 WeakPolarHBondContact CZ3-O 3.07Å; W205-H213 HydrophobicContact CH2-CB 3.71Å; W205-H213 AromaticContact CH2-CG 3.76Å; W205-H213 HydrophobicContact CZ3-CB 3.5Å; W205-H213 VanDerWaalsContact CZ3-CB 3.5Å; W205-H213 AromaticContact CZ3-CG 3.99Å; W205-W214 HydrophobicContact CE3-CZ3 4.19Å; W205-W214 HydrophobicContact CH2-CZ3 4.34Å; W205-W214 HydrophobicContact CZ3-CE3 4.44Å; W205-W214 AromaticContact CZ3-CZ3 3.7Å; W205-W214 HydrophobicContact CZ3-CZ3 3.7Å; W205-T234 HydrophobicContact CD2-CG2 4.25Å; W205-T234 HydrophobicContact CG-CG2 3.93Å; W205-V243 HydrophobicContact CH2-CB 3.95Å; W205-V243 HydrophobicContact CH2-CG1 3.9Å; W205-V243 HydrophobicContact CH2-CG2 4.43Å; W205-V243 HydrophobicContact CZ2-CG1 3.99Å; W205-V243 HydrophobicContact CZ3-CB 4.36Å; W205-V243 HydrophobicContact CZ3-CG2 4.35Å; W205-P665 HydrophobicContact CH2-CG 4.19Å
206	T	97.7	Very high	95.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	17%	0.174	C	C	.	.			trans	-105.2	166.3	166	64.7	0	0	0	0	109.6	H175 N198 K200 L208 H209 A210 E232	H175-T206 VanDerWaalsContact NE2-C 3.3Å; H175-T206 WeakPolarHBondContact NE2-CA 2.99Å; N198-T206 WeakPolarHBondContact O-CG2 3.32Å; K200-T206 HydrophobicContact CG-CG2 3.85Å; T206-L208 PolarHBondContact O-N 2.81Å; T206-L208 PolarHBondContact OG1-N 2.7Å; T206-H209 WeakPolarHBondContact O-CA 3.43Å; T206-H209 WeakPolarHBondContact O-CB 3.4Å; T206-H209 PolarHBondContact O-N 2.81Å; T206-H209 PolarHBondContact OG1-ND1 3.43Å; T206-A210 PolarHBondContact O-N 3.07Å; T206-E232 HydrophobicContact CG2-CB 4.21Å; T206-E232 HydrophobicContact CG2-CG 4.21Å
207	A	97.6	Very high	95.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-53.5	-28.3	173.3	0	0	0	0	0	113.1	L174 H175 A178 A210 A211 L223	L174-A207 HydrophobicContact CB-CB 4.37Å; L174-A207 HydrophobicContact CD2-CB 3.82Å; L174-A207 HydrophobicContact CG-CB 3.75Å; H175-A207 PolarHBondContact NE2-N 3.45Å; A178-A207 HydrophobicContact CB-CB 4.07Å; A178-A207 WeakPolarHBondContact CB-O 3.43Å; A207-A210 PolarHBondContact O-N 3.2Å; A207-A211 PolarHBondContact O-N 2.83Å; A207-L223 HydrophobicContact CB-CD1 4.04Å; A207-L223 HydrophobicContact CB-CD2 4.05Å; A207-L223 WeakPolarHBondContact O-CD1 3.24Å
208	L	97.9	Very high	95.9	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-73.5	-35.1	175.2	-171.2	69	0	0	0	112.8	T206 A210 A211 A212 A220 L223 A228 F230 V240 L252	T206-L208 PolarHBondContact O-N 2.81Å; T206-L208 PolarHBondContact OG1-N 2.7Å; L208-A210 VanDerWaalsContact C-N 3.32Å; L208-A211 PolarHBondContact O-N 3.35Å; L208-A212 VanDerWaalsContact O-CB 3.23Å; L208-A212 WeakPolarHBondContact O-CB 3.32Å; L208-A212 PolarHBondContact O-N 3.04Å; L208-A220 HydrophobicContact CD1-CB 4.46Å; L208-L223 HydrophobicContact CB-CD1 4.38Å; L208-L223 HydrophobicContact CD1-CB 3.84Å; L208-L223 HydrophobicContact CD1-CD1 4.32Å; L208-A228 HydrophobicContact CB-CB 4.32Å; L208-A228 HydrophobicContact CD2-CB 4.12Å; L208-F230 HydrophobicContact CD2-CD1 4.05Å; L208-F230 HydrophobicContact CD2-CD2 4.43Å; L208-F230 HydrophobicContact CD2-CE1 4.03Å; L208-F230 HydrophobicContact CD2-CE2 4.4Å; L208-F230 HydrophobicContact CD2-CG 4.26Å; L208-F230 HydrophobicContact CD2-CZ 4.19Å; L208-V240 HydrophobicContact CD2-CG2 4.16Å; L208-V240 HydrophobicContact CG-CG2 3.93Å; L208-L252 HydrophobicContact CD1-CD2 4.44Å
209	H	97.4	Very high	95.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-40.1	169.9	-69	78.6	0	0	0	110.8	W205 T206 A212 H213 E232 V240 V243	W205-H209 HydrophobicContact CB-CB 4.1Å; W205-H209 HydrophobicContact CD2-CB 3.99Å; W205-H209 HydrophobicContact CE3-CB 3.45Å; W205-H209 VanDerWaalsContact CE3-CB 3.45Å; W205-H209 HydrophobicContact CG-CB 4.29Å; W205-H209 HydrophobicContact CZ3-CB 4.13Å; W205-H209 WeakPolarHBondContact CZ3-O 3.07Å; T206-H209 WeakPolarHBondContact O-CA 3.43Å; T206-H209 WeakPolarHBondContact O-CB 3.4Å; T206-H209 PolarHBondContact O-N 2.81Å; T206-H209 PolarHBondContact OG1-ND1 3.43Å; H209-A212 PolarHBondContact O-N 3.32Å; H209-H213 PolarHBondContact O-N 2.96Å; H209-E232 PolarHBondContact CE1-O 3.38Å; H209-E232 PolarHBondContact NE2-O 2.78Å; H209-V240 PolarHBondContact NE2-N 3.49Å; H209-V240 VanDerWaalsContact NE2-N 3.15Å; H209-V243 HydrophobicContact CB-CG2 4.37Å
210	A	95.8	Very high	96	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-65.5	-40.8	176.2	0	0	0	0	0	112.7	C179 T206 A207 L208 A212 W214	C179-A210 HydrophobicContact CB-CB 4.3Å; T206-A210 PolarHBondContact O-N 3.07Å; A207-A210 PolarHBondContact O-N 3.2Å; L208-A210 VanDerWaalsContact C-N 3.32Å; A210-A212 VanDerWaalsContact C-N 3.34Å; A210-A212 PolarHBondContact O-N 2.84Å; A210-W214 HydrophobicContact CB-CZ3 4.38Å; A210-W214 PolarHBondContact O-N 3.2Å
211	A	96.9	Very high	96	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.4	-38.6	171.4	0	0	0	0	0	112.3	A178 A207 L208 N215 R216 A220 L223	A178-A211 HydrophobicContact CB-CB 4.31Å; A207-A211 PolarHBondContact O-N 2.83Å; L208-A211 PolarHBondContact O-N 3.35Å; A211-N215 PolarHBondContact O-N 3.25Å; A211-R216 HydrophobicContact CB-CB 4.43Å; A211-R216 PolarHBondContact O-N 3.01Å; A211-A220 HydrophobicContact CB-CB 4Å; A211-L223 HydrophobicContact CB-CD1 4Å
212	A	96.4	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.1	-49.1	-176.8	0	0	0	0	0	113.5	L208 H209 A210 N215 V240 V243 A244 M248 L252	L208-A212 VanDerWaalsContact O-CB 3.23Å; L208-A212 WeakPolarHBondContact O-CB 3.32Å; L208-A212 PolarHBondContact O-N 3.04Å; H209-A212 PolarHBondContact O-N 3.32Å; A210-A212 VanDerWaalsContact C-N 3.34Å; A210-A212 PolarHBondContact O-N 2.84Å; A212-N215 PolarHBondContact O-N 2.82Å; A212-V240 HydrophobicContact CB-CG2 3.7Å; A212-V243 HydrophobicContact CB-CG2 4.41Å; A212-A244 HydrophobicContact CB-CB 4.2Å; A212-M248 HydrophobicContact CB-CG 4.27Å; A212-L252 HydrophobicContact CB-CD1 3.91Å; A212-L252 HydrophobicContact CB-CD2 4.48Å
213	H	94.4	Very high	96.3	Very high	66 Å²	66	30.1 Å²	30.1	31%	0.306	14%	0.143	S	C	.	.	H	α-helix	trans	-69.4	-41	-177	173.9	-88.9	0	0	0	112.9	W205 H209 N215 V243 P665	W205-H213 HydrophobicContact CH2-CB 3.71Å; W205-H213 AromaticContact CH2-CG 3.76Å; W205-H213 HydrophobicContact CZ3-CB 3.5Å; W205-H213 VanDerWaalsContact CZ3-CB 3.5Å; W205-H213 AromaticContact CZ3-CG 3.99Å; H209-H213 PolarHBondContact O-N 2.96Å; H213-N215 PolarHBondContact O-N 3.06Å; H213-V243 WeakPolarHBondContact CA-O 3.23Å; H213-V243 HydrophobicContact CB-CB 4.32Å; H213-V243 HydrophobicContact CB-CG2 4.42Å; H213-V243 PolarHBondContact CD2-O 3.4Å; H213-P665 WeakPolarHBondContact CE1-CG 3.26Å
214	W	91.6	Very high	96.5	Very high	55 Å²	55	27.3 Å²	27.3	21%	0.208	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	12	176.3	-74.9	-99.4	0	0	0	113	C179 W205 A210 R216 V662 P665	C179-W214 HydrophobicContact CB-CD2 4.1Å; C179-W214 HydrophobicContact CB-CE3 4.31Å; C179-W214 HydrophobicContact CB-CG 4.28Å; W205-W214 HydrophobicContact CE3-CZ3 4.19Å; W205-W214 HydrophobicContact CH2-CZ3 4.34Å; W205-W214 HydrophobicContact CZ3-CE3 4.44Å; W205-W214 AromaticContact CZ3-CZ3 3.7Å; W205-W214 HydrophobicContact CZ3-CZ3 3.7Å; A210-W214 HydrophobicContact CB-CZ3 4.38Å; A210-W214 PolarHBondContact O-N 3.2Å; W214-R216 VanDerWaalsContact C-N 3.32Å; W214-R216 HydrophobicContact CB-CG 4.05Å; W214-R216 WeakPolarHBondContact O-CD 3.42Å; W214-R216 PolarHBondContact O-N 2.69Å; W214-R216 PolarHBondContact O-NE 2.86Å; W214-V662 HydrophobicContact CH2-CG1 4.11Å; W214-V662 HydrophobicContact CZ2-CG1 4.42Å; W214-P665 HydrophobicContact CH2-CG 3.65Å; W214-P665 HydrophobicContact CZ2-CG 3.95Å; W214-P665 HydrophobicContact CZ3-CG 4.21Å
215	N	94.5	Very high	96.5	Very high	63 Å²	63	32.1 Å²	32.1	34%	0.337	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	43.4	177.7	-159.7	5.7	0	0	0	113.8	A211 A212 H213 E217	A211-N215 PolarHBondContact O-N 3.25Å; A212-N215 PolarHBondContact O-N 2.82Å; H213-N215 PolarHBondContact O-N 3.06Å; N215-E217 PolarHBondContact O-N 3.28Å
216	R	95.6	Very high	96.4	Very high	87 Å²	87	33 Å²	33	33%	0.328	17%	0.165	S	C	.	.			trans	-92	83.8	-178.3	-55.2	-46	-168.8	-161.7	0.6	111.1	A178 C179 D181 A211 W214 A218 S219 A220	A178-R216 WeakPolarHBondContact O-CG 3.27Å; C179-R216 PolarHBondContact O-NE 2.93Å; C179-R216 PolarHBondContact O-NH2 3.42Å; D181-R216 HydrophobicContact CB-CB 4.25Å; D181-R216 HydrophobicContact CB-CG 4.16Å; A211-R216 HydrophobicContact CB-CB 4.43Å; A211-R216 PolarHBondContact O-N 3.01Å; W214-R216 VanDerWaalsContact C-N 3.32Å; W214-R216 HydrophobicContact CB-CG 4.05Å; W214-R216 WeakPolarHBondContact O-CD 3.42Å; W214-R216 PolarHBondContact O-N 2.69Å; W214-R216 PolarHBondContact O-NE 2.86Å; R216-A218 PolarHBondContact O-N 2.77Å; R216-S219 PolarHBondContact O-N 2.82Å; R216-A220 WeakPolarHBondContact O-CB 3.35Å; R216-A220 PolarHBondContact O-N 3.04Å
217	E	96.5	Very high	96.2	Very high	97 Å²	97	34.4 Å²	34.4	45%	0.453	18%	0.179	S	C	.	.	H	α-helix	trans	-55	-44.5	-178.1	162.9	158.1	-150.2	0	0	113.3	N215 A220 R221 L251	N215-E217 PolarHBondContact O-N 3.28Å; E217-A220 PolarHBondContact O-N 3.17Å; E217-R221 HydrophobicContact CG-CG 4.48Å; E217-R221 WeakPolarHBondContact O-CB 3.21Å; E217-R221 VanDerWaalsContact O-CG 3.23Å; E217-R221 WeakPolarHBondContact O-CG 3.38Å; E217-R221 PolarHBondContact O-N 3.39Å; E217-R221 IonicContact OE1-CZ 2.77Å; E217-R221 IonicContact OE1-NE 3.94Å; E217-R221 PolarHBondContact OE1-NE 2.83Å; E217-R221 IonicContact OE1-NH2 2.58Å; E217-R221 PolarHBondContact OE1-NH2 3.32Å; E217-L251 HydrophobicContact CB-CD2 3.76Å; E217-L251 HydrophobicContact CG-CD2 3.56Å
218	A	96.8	Very high	96.2	Very high	37 Å²	37	34.4 Å²	34.4	31%	0.306	18%	0.179	S	C	.	.	H	α-helix	trans	-66.3	-51	-178.6	0	0	0	0	0	111.1	T183 R216 A220 R221 M222	T183-A218 HydrophobicContact CG2-CB 3.62Å; R216-A218 PolarHBondContact O-N 2.77Å; A218-A220 VanDerWaalsContact C-N 3.35Å; A218-A220 PolarHBondContact O-N 3.09Å; A218-R221 PolarHBondContact O-N 2.9Å; A218-M222 WeakPolarHBondContact O-CG 3.23Å; A218-M222 PolarHBondContact O-N 3.22Å
219	S	97.4	Very high	96.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-51.9	-48	172	-65.4	0	0	0	0	113.3	A178 D181 M186 R216 R221 M222 L223	A178-S219 WeakPolarHBondContact O-CB 3.45Å; A178-S219 PolarHBondContact O-OG 2.93Å; D181-S219 WeakPolarHBondContact CA-OG 3.46Å; D181-S219 WeakPolarHBondContact OD1-CB 3.11Å; D181-S219 PolarHBondContact OD1-N 3.29Å; D181-S219 PolarHBondContact OD1-OG 2.8Å; M186-S219 PolarHBondContact SD-OG 3.06Å; R216-S219 PolarHBondContact O-N 2.82Å; S219-R221 PolarHBondContact O-N 2.77Å; S219-M222 PolarHBondContact O-N 3.28Å; S219-L223 WeakPolarHBondContact O-CB 3.34Å; S219-L223 WeakPolarHBondContact O-CG 3.28Å; S219-L223 PolarHBondContact O-N 3.42Å
220	A	97.6	Very high	96.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-40	-179.6	0	0	0	0	0	112	L208 A211 R216 E217 A218 A224 M248 L255	L208-A220 HydrophobicContact CD1-CB 4.46Å; A211-A220 HydrophobicContact CB-CB 4Å; R216-A220 WeakPolarHBondContact O-CB 3.35Å; R216-A220 PolarHBondContact O-N 3.04Å; E217-A220 PolarHBondContact O-N 3.17Å; A218-A220 VanDerWaalsContact C-N 3.35Å; A218-A220 PolarHBondContact O-N 3.09Å; A220-A224 VanDerWaalsContact O-CB 3.27Å; A220-A224 WeakPolarHBondContact O-CB 3.15Å; A220-A224 PolarHBondContact O-N 3.24Å; A220-M248 HydrophobicContact CB-CE 4.15Å; A220-M248 HydrophobicContact CB-SD 4.08Å; A220-L255 HydrophobicContact CB-CD1 4.47Å
221	R	97.5	Very high	96.1	Very high	88 Å²	88	39.8 Å²	39.8	33%	0.332	21%	0.209	S	C	.	.	H	α-helix	trans	-63.6	-45.4	173.6	-72.8	171.9	176.8	-80.3	3	111.8	E217 A218 S219 N225 L251 L255	E217-R221 HydrophobicContact CG-CG 4.48Å; E217-R221 WeakPolarHBondContact O-CB 3.21Å; E217-R221 VanDerWaalsContact O-CG 3.23Å; E217-R221 WeakPolarHBondContact O-CG 3.38Å; E217-R221 PolarHBondContact O-N 3.39Å; E217-R221 IonicContact OE1-CZ 2.77Å; E217-R221 IonicContact OE1-NE 3.94Å; E217-R221 PolarHBondContact OE1-NE 2.83Å; E217-R221 IonicContact OE1-NH2 2.58Å; E217-R221 PolarHBondContact OE1-NH2 3.32Å; A218-R221 PolarHBondContact O-N 2.9Å; S219-R221 PolarHBondContact O-N 2.77Å; R221-N225 WeakPolarHBondContact O-CB 3.23Å; R221-N225 PolarHBondContact O-N 3.45Å; R221-N225 PolarHBondContact O-OD1 3.33Å; R221-L251 HydrophobicContact CG-CD1 4.24Å; R221-L255 HydrophobicContact CB-CD2 4.41Å; R221-L255 HydrophobicContact CG-CD1 4.09Å; R221-L255 HydrophobicContact CG-CD2 4.03Å
222	M	97.7	Very high	96	Very high	46 Å²	46	42.6 Å²	42.6	23%	0.227	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-46.5	179.7	-69.2	178.2	73.3	0	0	112.1	T183 M186 E187 L190 A218 S219 N225 A226	T183-M222 HydrophobicContact CG2-SD 4.03Å; T183-M222 WeakPolarHBondContact O-CE 3.4Å; M186-M222 HydrophobicContact CB-CE 3.77Å; M186-M222 HydrophobicContact CB-SD 4.26Å; M186-M222 HydrophobicContact CE-CB 4.45Å; E187-M222 HydrophobicContact CB-CE 3.83Å; L190-M222 HydrophobicContact CD1-CB 4.14Å; A218-M222 WeakPolarHBondContact O-CG 3.23Å; A218-M222 PolarHBondContact O-N 3.22Å; S219-M222 PolarHBondContact O-N 3.28Å; M222-N225 PolarHBondContact O-N 2.91Å; M222-A226 WeakPolarHBondContact O-CB 3.47Å; M222-A226 PolarHBondContact O-N 2.79Å
223	L	97.8	Very high	96	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-44.2	178.4	-71.5	163.7	0	0	0	112.2	L174 A178 M186 L190 I197 A207 L208 A211 S219 N225 A226 G227 A228	L174-L223 HydrophobicContact CD1-CD2 4.32Å; L174-L223 HydrophobicContact CD2-CD2 4Å; L174-L223 HydrophobicContact CG-CD2 4.24Å; A178-L223 HydrophobicContact CB-CD1 3.91Å; M186-L223 HydrophobicContact CE-CD1 3.79Å; M186-L223 HydrophobicContact CE-CD2 3.98Å; M186-L223 HydrophobicContact CE-CG 3.56Å; L190-L223 HydrophobicContact CD2-CD2 4.28Å; I197-L223 HydrophobicContact CG2-CD2 4.19Å; A207-L223 HydrophobicContact CB-CD1 4.04Å; A207-L223 HydrophobicContact CB-CD2 4.05Å; A207-L223 WeakPolarHBondContact O-CD1 3.24Å; L208-L223 HydrophobicContact CB-CD1 4.38Å; L208-L223 HydrophobicContact CD1-CB 3.84Å; L208-L223 HydrophobicContact CD1-CD1 4.32Å; A211-L223 HydrophobicContact CB-CD1 4Å; S219-L223 WeakPolarHBondContact O-CB 3.34Å; S219-L223 WeakPolarHBondContact O-CG 3.28Å; S219-L223 PolarHBondContact O-N 3.42Å; L223-N225 PolarHBondContact O-N 3.17Å; L223-A226 PolarHBondContact O-N 2.95Å; L223-G227 PolarHBondContact O-N 3.31Å; L223-A228 HydrophobicContact CB-CB 4Å; L223-A228 WeakPolarHBondContact O-CB 3.12Å; L223-A228 PolarHBondContact O-N 2.87Å
224	A	96.7	Very high	96	Very high	3 Å²	3	44.5 Å²	44.5	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-43.9	177.5	0	0	0	0	0	112.3	A220 A226 G227 F230 L255 Q259	A220-A224 VanDerWaalsContact O-CB 3.27Å; A220-A224 WeakPolarHBondContact O-CB 3.15Å; A220-A224 PolarHBondContact O-N 3.24Å; A224-A226 VanDerWaalsContact C-N 3.32Å; A224-A226 PolarHBondContact O-N 3.17Å; A224-G227 PolarHBondContact O-N 3.25Å; A224-G227 VanDerWaalsContact O-N 3.1Å; A224-F230 HydrophobicContact CB-CE2 4Å; A224-F230 HydrophobicContact CB-CZ 3.68Å; A224-L255 HydrophobicContact CB-CB 3.85Å; A224-L255 HydrophobicContact CB-CD1 4.09Å; A224-L255 HydrophobicContact CB-CD2 3.93Å; A224-L255 HydrophobicContact CB-CG 4.18Å; A224-Q259 PolarHBondContact O-NE2 2.91Å
225	N	94.8	Very high	96.2	Very high	106 Å²	106	50.3 Å²	50.3	57%	0.567	25%	0.254	S	S	*	.	H	α-helix	trans	-65.3	-34.5	176.4	-68.6	0.2	0	0	0	112.1	R221 M222 L223 G227	R221-N225 WeakPolarHBondContact O-CB 3.23Å; R221-N225 PolarHBondContact O-N 3.45Å; R221-N225 PolarHBondContact O-OD1 3.33Å; M222-N225 PolarHBondContact O-N 2.91Å; L223-N225 PolarHBondContact O-N 3.17Å; N225-G227 PolarHBondContact O-N 3.01Å
226	A	95.7	Very high	96.1	Very high	42 Å²	42	50.6 Å²	50.6	35%	0.347	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-4.2	174	0	0	0	0	0	113.8	L190 I197 M222 L223 A224	L190-A226 HydrophobicContact CD1-CB 4.09Å; L190-A226 HydrophobicContact CD2-CB 3.85Å; L190-A226 HydrophobicContact CG-CB 4.39Å; I197-A226 HydrophobicContact CD1-CB 3.95Å; I197-A226 VanDerWaalsContact CD1-O 3.23Å; I197-A226 WeakPolarHBondContact CD1-O 3.42Å; M222-A226 WeakPolarHBondContact O-CB 3.47Å; M222-A226 PolarHBondContact O-N 2.79Å; L223-A226 PolarHBondContact O-N 2.95Å; A224-A226 VanDerWaalsContact C-N 3.32Å; A224-A226 PolarHBondContact O-N 3.17Å
227	G	94.7	Very high	96.1	Very high	29 Å²	29	51 Å²	51	30%	0.299	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	13.8	175	0	0	0	0	0	115.6	L223 A224 N225	L223-G227 PolarHBondContact O-N 3.31Å; A224-G227 PolarHBondContact O-N 3.25Å; A224-G227 VanDerWaalsContact O-N 3.1Å; N225-G227 PolarHBondContact O-N 3.01Å
228	A	97.2	Very high	96	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	27%	0.273	C	S	.	.			trans	-51.8	142.5	175.6	0	0	0	0	0	112.2	I197 L208 L223 Q259	I197-A228 HydrophobicContact CG2-CB 3.65Å; L208-A228 HydrophobicContact CB-CB 4.32Å; L208-A228 HydrophobicContact CD2-CB 4.12Å; L223-A228 HydrophobicContact CB-CB 4Å; L223-A228 WeakPolarHBondContact O-CB 3.12Å; L223-A228 PolarHBondContact O-N 2.87Å; A228-Q259 PolarHBondContact O-NE2 3.39Å
229	S	96.4	Very high	96	Very high	23 Å²	23	48.3 Å²	48.3	16%	0.161	26%	0.264	C	S	.	.			trans	-81.8	131.1	-177.6	179	0	0	0	0	111.4	N198 D231	N198-S229 WeakPolarHBondContact OD1-CB 3.22Å; N198-S229 PolarHBondContact OD1-N 2.89Å; S229-D231 PolarHBondContact OG-N 3.05Å
230	F	96.2	Very high	95.9	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.013	26%	0.264	C	S	.	.	S	Bend	trans	-91.3	-7.5	174.4	-72.3	-95	0	0	0	113.1	L208 A224 V240 F241 L252 L255 R256	L208-F230 HydrophobicContact CD2-CD1 4.05Å; L208-F230 HydrophobicContact CD2-CD2 4.43Å; L208-F230 HydrophobicContact CD2-CE1 4.03Å; L208-F230 HydrophobicContact CD2-CE2 4.4Å; L208-F230 HydrophobicContact CD2-CG 4.26Å; L208-F230 HydrophobicContact CD2-CZ 4.19Å; A224-F230 HydrophobicContact CB-CE2 4Å; A224-F230 HydrophobicContact CB-CZ 3.68Å; F230-V240 HydrophobicContact CB-CG1 4.44Å; F230-V240 HydrophobicContact CD1-CG1 4.02Å; F230-F241 HydrophobicContact CB-CE2 4.41Å; F230-F241 HydrophobicContact CD1-CE2 4.4Å; F230-F241 AromaticContact CD1-CZ 3.9Å; F230-F241 HydrophobicContact CD1-CZ 3.9Å; F230-L252 HydrophobicContact CE1-CB 4.22Å; F230-L252 HydrophobicContact CE1-CD2 3.88Å; F230-L252 WeakPolarHBondContact CE1-O 3.42Å; F230-L255 HydrophobicContact CE1-CB 4.29Å; F230-L255 HydrophobicContact CZ-CB 3.72Å; F230-R256 HydrophobicContact CB-CB 4.38Å; F230-R256 HydrophobicContact CB-CG 3.84Å; F230-R256 HydrophobicContact CD1-CB 3.82Å; F230-R256 HydrophobicContact CD1-CG 4.23Å; F230-R256 HydrophobicContact CD2-CB 3.9Å; F230-R256 HydrophobicContact CD2-CG 3.82Å; F230-R256 HydrophobicContact CE1-CB 4Å; F230-R256 HydrophobicContact CE2-CB 4.09Å; F230-R256 HydrophobicContact CE2-CG 4.44Å; F230-R256 HydrophobicContact CG-CB 3.77Å; F230-R256 HydrophobicContact CG-CG 3.7Å; F230-R256 HydrophobicContact CZ-CB 4.13Å
231	D	94.9	Very high	95.9	Very high	89 Å²	89	49.7 Å²	49.7	48%	0.476	27%	0.27	S	S	.	.	S	Bend	trans	-105.1	5.3	-172.6	-50.1	-56.7	0	0	0	111	S229 H233 R256	S229-D231 PolarHBondContact OG-N 3.05Å; D231-H233 PolarHBondContact O-CE1 3.41Å; D231-H233 VanDerWaalsContact O-CE1 3.25Å; D231-H233 PolarHBondContact O-ND1 3.41Å; D231-R256 IonicContact OD1-NH1 3.35Å
232	E	96.3	Very high	95.8	Very high	60 Å²	60	50.4 Å²	50.4	28%	0.28	28%	0.28	S	S	.	.			trans	-71.6	147.6	168.1	-68.6	-54.7	145.1	0	0	112.3	K200 T206 H209	K200-E232 WeakPolarHBondContact CE-OE2 3.46Å; K200-E232 IonicContact NZ-OE2 3.46Å; K200-E232 PolarHBondContact NZ-OE2 2.86Å; T206-E232 HydrophobicContact CG2-CB 4.21Å; T206-E232 HydrophobicContact CG2-CG 4.21Å; H209-E232 PolarHBondContact CE1-O 3.38Å; H209-E232 PolarHBondContact NE2-O 2.78Å
233	H	95.4	Very high	95.6	Very high	96 Å²	96	48.9 Å²	48.9	44%	0.444	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-125.5	149	177.5	-61.2	67.5	0	0	0	111.1	K200 D231 Q238	K200-H233 PolarHBondContact NZ-O 2.86Å; D231-H233 PolarHBondContact O-CE1 3.41Å; D231-H233 VanDerWaalsContact O-CE1 3.25Å; D231-H233 PolarHBondContact O-ND1 3.41Å; H233-Q238 CarbonylContact C-O 3.52Å; H233-Q238 VanDerWaalsContact CA-O 3.27Å; H233-Q238 WeakPolarHBondContact CA-O 3.23Å
234	T	95.3	Very high	95.5	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.055	28%	0.279	C	S	.	.			trans	-74.5	173.3	173.5	70.7	0	0	0	0	112.2	G204 W205 A236 S237 Q238	G204-T234 WeakPolarHBondContact O-CA 3.49Å; W205-T234 HydrophobicContact CD2-CG2 4.25Å; W205-T234 HydrophobicContact CG-CG2 3.93Å; T234-A236 PolarHBondContact O-N 3.39Å; T234-A236 PolarHBondContact OG1-N 3.16Å; T234-S237 WeakPolarHBondContact O-CA 3.41Å; T234-S237 PolarHBondContact O-N 3.25Å; T234-Q238 HydrophobicContact CG2-CB 4.48Å; T234-Q238 PolarHBondContact N-O 3.15Å; T234-Q238 PolarHBondContact OG1-N 3.06Å
235	R	94.9	Very high	95.3	Very high	178 Å²	178	54 Å²	54	67%	0.672	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.8	171	-69.4	-179.4	-175.6	-167.9	-0.4	113	F202 D203 S237	F202-R235 VanDerWaalsContact O-CD 3.23Å; F202-R235 WeakPolarHBondContact O-CD 3.21Å; F202-R235 PolarHBondContact O-NE 3.19Å; F202-R235 PolarHBondContact O-NH1 3.29Å; D203-R235 WeakPolarHBondContact O-CB 3.48Å; D203-R235 WeakPolarHBondContact O-CG 3.32Å; D203-R235 PolarHBondContact O-N 2.94Å; R235-S237 PolarHBondContact O-N 2.9Å
236	A	93	Very high	95.1	Very high	68 Å²	68	57.6 Å²	57.6	56%	0.562	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	8.6	171	0	0	0	0	0	113.4	T234 Q238	T234-A236 PolarHBondContact O-N 3.39Å; T234-A236 PolarHBondContact OG1-N 3.16Å; A236-Q238 HydrophobicContact CB-CG 4.19Å; A236-Q238 PolarHBondContact O-N 3.18Å
237	S	94.5	Very high	95	Very high	96 Å²	96	62.9 Å²	62.9	67%	0.671	33%	0.331	S	S	*	.			trans	57	24	-175.4	-57.6	0	0	0	0	114.5	T234 R235	T234-S237 WeakPolarHBondContact O-CA 3.41Å; T234-S237 PolarHBondContact O-N 3.25Å; R235-S237 PolarHBondContact O-N 2.9Å
238	Q	95.5	Very high	95.1	Very high	60 Å²	60	61.6 Å²	61.6	28%	0.28	32%	0.317	S	S	.	.			trans	-85	139.5	173.9	-63.7	179.4	-94.2	0	0	109.7	H233 T234 A236 D242 V243	H233-Q238 CarbonylContact C-O 3.52Å; H233-Q238 VanDerWaalsContact CA-O 3.27Å; H233-Q238 WeakPolarHBondContact CA-O 3.23Å; T234-Q238 HydrophobicContact CG2-CB 4.48Å; T234-Q238 PolarHBondContact N-O 3.15Å; T234-Q238 PolarHBondContact OG1-N 3.06Å; A236-Q238 HydrophobicContact CB-CG 4.19Å; A236-Q238 PolarHBondContact O-N 3.18Å; Q238-D242 HydrophobicContact CB-CB 4.11Å; Q238-D242 HydrophobicContact CG-CB 4.47Å; Q238-V243 HydrophobicContact CB-CG1 4.01Å
239	S	96.2	Very high	95.1	Very high	17 Å²	17	63.5 Å²	63.5	12%	0.119	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-84.6	169.9	167.4	77.2	0	0	0	0	111.2	F241 D242 V243	S239-F241 PolarHBondContact O-N 3.19Å; S239-F241 PolarHBondContact OG-N 2.58Å; S239-D242 WeakPolarHBondContact CA-OD2 3.45Å; S239-D242 VanDerWaalsContact CB-OD2 3.27Å; S239-D242 WeakPolarHBondContact CB-OD2 3.39Å; S239-D242 PolarHBondContact N-OD2 2.83Å; S239-D242 PolarHBondContact O-N 3.23Å; S239-D242 PolarHBondContact OG-OD2 2.74Å; S239-V243 PolarHBondContact O-N 2.84Å
240	V	96.5	Very high	95.1	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.5	172	69.3	0	0	0	0	113.3	L208 H209 A212 F230 A244 L252	L208-V240 HydrophobicContact CD2-CG2 4.16Å; L208-V240 HydrophobicContact CG-CG2 3.93Å; H209-V240 PolarHBondContact NE2-N 3.49Å; H209-V240 VanDerWaalsContact NE2-N 3.15Å; A212-V240 HydrophobicContact CB-CG2 3.7Å; F230-V240 HydrophobicContact CB-CG1 4.44Å; F230-V240 HydrophobicContact CD1-CG1 4.02Å; V240-A244 WeakPolarHBondContact O-CB 3.45Å; V240-L252 HydrophobicContact CG2-CD1 3.99Å; V240-L252 HydrophobicContact CG2-CD2 4.09Å
241	F	96.5	Very high	95.1	Very high	29 Å²	29	67.5 Å²	67.5	13%	0.127	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.1	178.2	-56.8	-82.1	0	0	0	113.4	F230 S239 I249 L252 R253	F230-F241 HydrophobicContact CB-CE2 4.41Å; F230-F241 HydrophobicContact CD1-CE2 4.4Å; F230-F241 AromaticContact CD1-CZ 3.9Å; F230-F241 HydrophobicContact CD1-CZ 3.9Å; S239-F241 PolarHBondContact O-N 3.19Å; S239-F241 PolarHBondContact OG-N 2.58Å; F241-I249 WeakPolarHBondContact O-CD1 3.47Å; F241-L252 HydrophobicContact CD1-CB 3.99Å; F241-L252 HydrophobicContact CD1-CD1 4.36Å; F241-L252 HydrophobicContact CE1-CB 3.54Å; F241-L252 HydrophobicContact CZ-CB 4.37Å; F241-R253 HydrophobicContact CD1-CG 4.29Å; F241-R253 HydrophobicContact CE1-CG 3.82Å
242	D	95.9	Very high	95.2	Very high	103 Å²	103	63.3 Å²	63.3	55%	0.551	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-14.4	-177.2	-54.1	-65	0	0	0	112.8	Q238 S239	Q238-D242 HydrophobicContact CB-CB 4.11Å; Q238-D242 HydrophobicContact CG-CB 4.47Å; S239-D242 WeakPolarHBondContact CA-OD2 3.45Å; S239-D242 VanDerWaalsContact CB-OD2 3.27Å; S239-D242 WeakPolarHBondContact CB-OD2 3.39Å; S239-D242 PolarHBondContact N-OD2 2.83Å; S239-D242 PolarHBondContact O-N 3.23Å; S239-D242 PolarHBondContact OG-OD2 2.74Å
243	V	93.1	Very high	95.3	Very high	14 Å²	14	68 Å²	68	9%	0.085	34%	0.342	C	S	.	.	S	Bend	trans	-98.1	-6.5	172	-58.7	0	0	0	0	113	W205 H209 A212 H213 Q238 S239	W205-V243 HydrophobicContact CH2-CB 3.95Å; W205-V243 HydrophobicContact CH2-CG1 3.9Å; W205-V243 HydrophobicContact CH2-CG2 4.43Å; W205-V243 HydrophobicContact CZ2-CG1 3.99Å; W205-V243 HydrophobicContact CZ3-CB 4.36Å; W205-V243 HydrophobicContact CZ3-CG2 4.35Å; H209-V243 HydrophobicContact CB-CG2 4.37Å; A212-V243 HydrophobicContact CB-CG2 4.41Å; H213-V243 WeakPolarHBondContact CA-O 3.23Å; H213-V243 HydrophobicContact CB-CB 4.32Å; H213-V243 HydrophobicContact CB-CG2 4.42Å; H213-V243 PolarHBondContact CD2-O 3.4Å; Q238-V243 HydrophobicContact CB-CG1 4.01Å; S239-V243 PolarHBondContact O-N 2.84Å
244	A	95.6	Very high	95.3	Very high	15 Å²	15	66.9 Å²	66.9	12%	0.124	34%	0.337	C	S	.	.	S	Bend	trans	-94.1	145.6	-171.5	0	0	0	0	0	113.5	A212 V240 M248 I249 L252	A212-A244 HydrophobicContact CB-CB 4.2Å; V240-A244 WeakPolarHBondContact O-CB 3.45Å; A244-M248 HydrophobicContact CB-CB 4.2Å; A244-M248 HydrophobicContact CB-CG 3.89Å; A244-I249 HydrophobicContact CB-CG1 3.72Å; A244-I249 WeakPolarHBondContact O-CD1 3.45Å; A244-L252 HydrophobicContact CB-CD1 3.69Å
245	D	92	Very high	95.4	Very high	96 Å²	96	66.6 Å²	66.6	51%	0.513	34%	0.335	S	S	.	.			trans	-64.4	156	168.4	-104.4	-34.3	0	0	0	112.5	E247 M248 I249	D245-E247 PolarHBondContact O-N 3.25Å; D245-E247 VanDerWaalsContact O-N 3.11Å; D245-M248 CarbonylContact O-C 3.55Å; D245-M248 WeakPolarHBondContact O-CA 3.38Å; D245-M248 WeakPolarHBondContact O-CB 3.49Å; D245-M248 PolarHBondContact O-N 3.41Å; D245-I249 WeakPolarHBondContact O-CG1 3.3Å; D245-I249 PolarHBondContact O-N 3.07Å
246	K	92	Very high	95.5	Very high	181 Å²	181	61.2 Å²	61.2	79%	0.787	32%	0.315	S	S	*	.	H	α-helix	trans	-53.9	-36.9	-175.3	-67.9	179.5	-178.4	174.3	0	113.9
247	E	93	Very high	95.6	Very high	154 Å²	154	62.9 Å²	62.9	72%	0.72	31%	0.311	S	S	*	.	H	α-helix	trans	-73.2	-45.8	178.8	-63.2	176.5	172.8	0	0	110.6	D245 I249 V250 L251	D245-E247 PolarHBondContact O-N 3.25Å; D245-E247 VanDerWaalsContact O-N 3.11Å; E247-I249 VanDerWaalsContact C-N 3.32Å; E247-I249 PolarHBondContact O-N 3.25Å; E247-V250 WeakPolarHBondContact O-CB 3.49Å; E247-V250 PolarHBondContact O-N 2.93Å; E247-V250 VanDerWaalsContact O-N 3.1Å; E247-L251 PolarHBondContact O-N 3.44Å
248	M	96.2	Very high	95.7	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-36.8	174.2	178.5	58.6	73.8	0	0	112.4	A212 A220 A244 D245 V250 L251 L252	A212-M248 HydrophobicContact CB-CG 4.27Å; A220-M248 HydrophobicContact CB-CE 4.15Å; A220-M248 HydrophobicContact CB-SD 4.08Å; A244-M248 HydrophobicContact CB-CB 4.2Å; A244-M248 HydrophobicContact CB-CG 3.89Å; D245-M248 CarbonylContact O-C 3.55Å; D245-M248 WeakPolarHBondContact O-CA 3.38Å; D245-M248 WeakPolarHBondContact O-CB 3.49Å; D245-M248 PolarHBondContact O-N 3.41Å; M248-V250 PolarHBondContact O-N 3.02Å; M248-L251 HydrophobicContact CE-CD2 4.23Å; M248-L251 WeakPolarHBondContact O-CB 3.41Å; M248-L251 PolarHBondContact O-N 2.91Å; M248-L251 VanDerWaalsContact O-N 3.12Å; M248-L251 HydrophobicContact SD-CB 4.38Å; M248-L251 HydrophobicContact SD-CD2 3.9Å; M248-L251 HydrophobicContact SD-CG 4.36Å; M248-L252 HydrophobicContact CG-CD1 3.75Å; M248-L252 HydrophobicContact CG-CG 3.95Å; M248-L252 WeakPolarHBondContact O-CB 3.48Å; M248-L252 VanDerWaalsContact O-CG 3.31Å; M248-L252 WeakPolarHBondContact O-CG 3.47Å; M248-L252 PolarHBondContact O-N 3.39Å; M248-L252 HydrophobicContact SD-CD1 4.23Å; M248-L252 HydrophobicContact SD-CD2 4.13Å; M248-L252 HydrophobicContact SD-CG 3.79Å
249	I	97	Very high	95.6	Very high	42 Å²	42	59.9 Å²	59.9	22%	0.215	28%	0.283	C	S	.	.	H	α-helix	trans	-57.3	-37.2	174.8	-69.5	170.6	0	0	0	111.7	F241 A244 D245 E247 R253	F241-I249 WeakPolarHBondContact O-CD1 3.47Å; A244-I249 HydrophobicContact CB-CG1 3.72Å; A244-I249 WeakPolarHBondContact O-CD1 3.45Å; D245-I249 WeakPolarHBondContact O-CG1 3.3Å; D245-I249 PolarHBondContact O-N 3.07Å; E247-I249 VanDerWaalsContact C-N 3.32Å; E247-I249 PolarHBondContact O-N 3.25Å; I249-R253 WeakPolarHBondContact O-CB 3.2Å; I249-R253 VanDerWaalsContact O-CG 3.24Å; I249-R253 WeakPolarHBondContact O-CG 3.35Å; I249-R253 PolarHBondContact O-N 2.84Å; I249-R253 VanDerWaalsContact O-N 3.1Å
250	V	96.5	Very high	95.5	Very high	91 Å²	91	63 Å²	63	55%	0.552	29%	0.292	S	S	*	.	H	α-helix	trans	-67.9	-44.7	176.9	-179.3	0	0	0	0	110.5	E247 M248 R253 Q254	E247-V250 WeakPolarHBondContact O-CB 3.49Å; E247-V250 PolarHBondContact O-N 2.93Å; E247-V250 VanDerWaalsContact O-N 3.1Å; M248-V250 PolarHBondContact O-N 3.02Å; V250-R253 PolarHBondContact O-N 3.22Å; V250-Q254 PolarHBondContact O-N 3.33Å; V250-Q254 VanDerWaalsContact O-N 3.11Å
251	L	97.1	Very high	95.3	Very high	19 Å²	19	65.7 Å²	65.7	10%	0.099	31%	0.314	C	S	.	.	H	α-helix	trans	-61.3	-50	176.2	173.5	59.6	0	0	0	112	E217 R221 E247 M248 R253 Q254 L255	E217-L251 HydrophobicContact CB-CD2 3.76Å; E217-L251 HydrophobicContact CG-CD2 3.56Å; R221-L251 HydrophobicContact CG-CD1 4.24Å; E247-L251 PolarHBondContact O-N 3.44Å; M248-L251 HydrophobicContact CE-CD2 4.23Å; M248-L251 WeakPolarHBondContact O-CB 3.41Å; M248-L251 PolarHBondContact O-N 2.91Å; M248-L251 VanDerWaalsContact O-N 3.12Å; M248-L251 HydrophobicContact SD-CB 4.38Å; M248-L251 HydrophobicContact SD-CD2 3.9Å; M248-L251 HydrophobicContact SD-CG 4.36Å; L251-R253 VanDerWaalsContact C-N 3.3Å; L251-R253 PolarHBondContact O-N 2.83Å; L251-Q254 PolarHBondContact O-N 3.5Å; L251-Q254 VanDerWaalsContact O-N 3.12Å; L251-L255 HydrophobicContact CD1-CD1 3.8Å; L251-L255 HydrophobicContact CD1-CG 3.98Å; L251-L255 HydrophobicContact CD2-CD1 4.46Å; L251-L255 HydrophobicContact CG-CD1 3.77Å; L251-L255 HydrophobicContact CG-CG 4.39Å; L251-L255 WeakPolarHBondContact O-CG 3.27Å; L251-L255 PolarHBondContact O-N 2.77Å
252	L	97.7	Very high	95	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.4	-39.1	178.9	-69.4	168.8	0	0	0	111.9	L208 A212 F230 V240 F241 A244 M248 L255 R256	L208-L252 HydrophobicContact CD1-CD2 4.44Å; A212-L252 HydrophobicContact CB-CD1 3.91Å; A212-L252 HydrophobicContact CB-CD2 4.48Å; F230-L252 HydrophobicContact CE1-CB 4.22Å; F230-L252 HydrophobicContact CE1-CD2 3.88Å; F230-L252 WeakPolarHBondContact CE1-O 3.42Å; V240-L252 HydrophobicContact CG2-CD1 3.99Å; V240-L252 HydrophobicContact CG2-CD2 4.09Å; F241-L252 HydrophobicContact CD1-CB 3.99Å; F241-L252 HydrophobicContact CD1-CD1 4.36Å; F241-L252 HydrophobicContact CE1-CB 3.54Å; F241-L252 HydrophobicContact CZ-CB 4.37Å; A244-L252 HydrophobicContact CB-CD1 3.69Å; M248-L252 HydrophobicContact CG-CD1 3.75Å; M248-L252 HydrophobicContact CG-CG 3.95Å; M248-L252 WeakPolarHBondContact O-CB 3.48Å; M248-L252 VanDerWaalsContact O-CG 3.31Å; M248-L252 WeakPolarHBondContact O-CG 3.47Å; M248-L252 PolarHBondContact O-N 3.39Å; M248-L252 HydrophobicContact SD-CD1 4.23Å; M248-L252 HydrophobicContact SD-CD2 4.13Å; M248-L252 HydrophobicContact SD-CG 3.79Å; L252-L255 PolarHBondContact O-N 2.96Å; L252-R256 WeakPolarHBondContact O-CB 3.25Å; L252-R256 PolarHBondContact O-N 2.9Å
253	R	97	Very high	94.5	Very high	159 Å²	159	69.6 Å²	69.6	60%	0.6	32%	0.324	S	S	*	.	H	α-helix	trans	-63.6	-44.2	174.8	-75.8	174.7	-177.8	-154.2	1.6	111.5	F241 I249 V250 L251 E257	F241-R253 HydrophobicContact CD1-CG 4.29Å; F241-R253 HydrophobicContact CE1-CG 3.82Å; I249-R253 WeakPolarHBondContact O-CB 3.2Å; I249-R253 VanDerWaalsContact O-CG 3.24Å; I249-R253 WeakPolarHBondContact O-CG 3.35Å; I249-R253 PolarHBondContact O-N 2.84Å; I249-R253 VanDerWaalsContact O-N 3.1Å; V250-R253 PolarHBondContact O-N 3.22Å; L251-R253 VanDerWaalsContact C-N 3.3Å; L251-R253 PolarHBondContact O-N 2.83Å; R253-E257 PolarHBondContact O-N 3.37Å; R253-E257 VanDerWaalsContact O-N 3.15Å
254	Q	96.9	Very high	94.3	Very high	73 Å²	73	75 Å²	75	34%	0.341	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-39.9	175.7	-166.2	-163.5	78.1	0	0	111.9	V250 L251 R258 Y1127	V250-Q254 PolarHBondContact O-N 3.33Å; V250-Q254 VanDerWaalsContact O-N 3.11Å; L251-Q254 PolarHBondContact O-N 3.5Å; L251-Q254 VanDerWaalsContact O-N 3.12Å; Q254-R258 WeakPolarHBondContact O-CB 3.12Å; Q254-R258 PolarHBondContact O-N 3.45Å; Q254-Y1127 PolarHBondContact NE2-OH 2.74Å
255	L	96.9	Very high	93.9	Very high	2 Å²	2	76.3 Å²	76.3	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-66.9	-45.7	178.7	-73.8	167.5	0	0	0	112.3	A220 R221 A224 F230 L251 L252 E257 R258 Q259	A220-L255 HydrophobicContact CB-CD1 4.47Å; R221-L255 HydrophobicContact CB-CD2 4.41Å; R221-L255 HydrophobicContact CG-CD1 4.09Å; R221-L255 HydrophobicContact CG-CD2 4.03Å; A224-L255 HydrophobicContact CB-CB 3.85Å; A224-L255 HydrophobicContact CB-CD1 4.09Å; A224-L255 HydrophobicContact CB-CD2 3.93Å; A224-L255 HydrophobicContact CB-CG 4.18Å; F230-L255 HydrophobicContact CE1-CB 4.29Å; F230-L255 HydrophobicContact CZ-CB 3.72Å; L251-L255 HydrophobicContact CD1-CD1 3.8Å; L251-L255 HydrophobicContact CD1-CG 3.98Å; L251-L255 HydrophobicContact CD2-CD1 4.46Å; L251-L255 HydrophobicContact CG-CD1 3.77Å; L251-L255 HydrophobicContact CG-CG 4.39Å; L251-L255 WeakPolarHBondContact O-CG 3.27Å; L251-L255 PolarHBondContact O-N 2.77Å; L252-L255 PolarHBondContact O-N 2.96Å; L255-E257 VanDerWaalsContact C-N 3.29Å; L255-E257 PolarHBondContact O-N 3.26Å; L255-R258 PolarHBondContact O-N 3.45Å; L255-Q259 WeakPolarHBondContact O-CB 3.36Å; L255-Q259 PolarHBondContact O-N 2.91Å
256	R	96.5	Very high	93.2	Very high	65 Å²	65	76.4 Å²	76.4	25%	0.245	36%	0.36	C	S	.	.	H	α-helix	trans	-60.3	-40.2	176.4	-169.1	178.9	71.2	170.6	-2	111.8	F230 D231 L252 Q259 R260	F230-R256 HydrophobicContact CB-CB 4.38Å; F230-R256 HydrophobicContact CB-CG 3.84Å; F230-R256 HydrophobicContact CD1-CB 3.82Å; F230-R256 HydrophobicContact CD1-CG 4.23Å; F230-R256 HydrophobicContact CD2-CB 3.9Å; F230-R256 HydrophobicContact CD2-CG 3.82Å; F230-R256 HydrophobicContact CE1-CB 4Å; F230-R256 HydrophobicContact CE2-CB 4.09Å; F230-R256 HydrophobicContact CE2-CG 4.44Å; F230-R256 HydrophobicContact CG-CB 3.77Å; F230-R256 HydrophobicContact CG-CG 3.7Å; F230-R256 HydrophobicContact CZ-CB 4.13Å; D231-R256 IonicContact OD1-NH1 3.35Å; L252-R256 WeakPolarHBondContact O-CB 3.25Å; L252-R256 PolarHBondContact O-N 2.9Å; R256-Q259 PolarHBondContact O-N 3.37Å; R256-R260 WeakPolarHBondContact O-CG 3.4Å; R256-R260 PolarHBondContact O-N 2.85Å; R256-R260 VanDerWaalsContact O-N 3.1Å
257	E	95.6	Very high	92.4	Very high	103 Å²	103	70.6 Å²	70.6	48%	0.481	35%	0.346	S	S	.	.	H	α-helix	trans	-74.4	-35.9	-179.2	-153.1	54.8	-142.1	0	0	112.3	R253 L255 R260 A261	R253-E257 PolarHBondContact O-N 3.37Å; R253-E257 VanDerWaalsContact O-N 3.15Å; L255-E257 VanDerWaalsContact C-N 3.29Å; L255-E257 PolarHBondContact O-N 3.26Å; E257-R260 PolarHBondContact O-N 3.49Å; E257-R260 WeakPolarHBondContact OE2-CD 3.49Å; E257-R260 IonicContact OE2-NH1 2.67Å; E257-R260 PolarHBondContact OE2-NH1 3.03Å; E257-A261 PolarHBondContact O-N 3.42Å
258	R	95.6	Very high	91.1	Very high	82 Å²	82	67.9 Å²	67.9	31%	0.309	34%	0.344	S	S	.	.	H	α-helix	trans	-57.5	-49.8	168.1	179.9	-179.3	-61.9	100.9	3	111.4	Q254 L255 R260 A261 E262	Q254-R258 WeakPolarHBondContact O-CB 3.12Å; Q254-R258 PolarHBondContact O-N 3.45Å; L255-R258 PolarHBondContact O-N 3.45Å; R258-R260 PolarHBondContact O-N 2.56Å; R258-A261 PolarHBondContact O-N 3.43Å; R258-A261 VanDerWaalsContact O-N 3.17Å; R258-E262 WeakPolarHBondContact CD-OE1 3.34Å; R258-E262 HydrophobicContact CG-CG 4.42Å; R258-E262 WeakPolarHBondContact CG-OE1 3.48Å; R258-E262 WeakPolarHBondContact O-CB 3.32Å; R258-E262 WeakPolarHBondContact O-CG 3.39Å; R258-E262 PolarHBondContact O-N 3.5Å
259	Q	93.8	Very high	89.3	Confident	11 Å²	11	75 Å²	75	5%	0.051	38%	0.375	C	S	.	.	H	α-helix	trans	-59.6	-33.6	179.2	-166.4	-169	79.6	0	0	112.3	A224 A228 L255 R256 R263	A224-Q259 PolarHBondContact O-NE2 2.91Å; A228-Q259 PolarHBondContact O-NE2 3.39Å; L255-Q259 WeakPolarHBondContact O-CB 3.36Å; L255-Q259 PolarHBondContact O-N 2.91Å; R256-Q259 PolarHBondContact O-N 3.37Å; Q259-R263 VanDerWaalsContact O-CG 3.25Å; Q259-R263 WeakPolarHBondContact O-CG 3.24Å; Q259-R263 PolarHBondContact O-N 2.83Å; Q259-R263 VanDerWaalsContact O-N 3.14Å
260	R	93.4	Very high	86.5	Confident	83 Å²	83	79.1 Å²	79.1	31%	0.313	40%	0.397	S	S	.	.	H	α-helix	trans	-71.9	-47.1	173.8	-72.8	166.1	176.6	-177.9	-7.3	112.5	R256 E257 R258 E262 R263 L264	R256-R260 WeakPolarHBondContact O-CG 3.4Å; R256-R260 PolarHBondContact O-N 2.85Å; R256-R260 VanDerWaalsContact O-N 3.1Å; E257-R260 PolarHBondContact O-N 3.49Å; E257-R260 WeakPolarHBondContact OE2-CD 3.49Å; E257-R260 IonicContact OE2-NH1 2.67Å; E257-R260 PolarHBondContact OE2-NH1 3.03Å; R258-R260 PolarHBondContact O-N 2.56Å; R260-E262 VanDerWaalsContact C-N 3.28Å; R260-E262 PolarHBondContact O-N 2.96Å; R260-R263 PolarHBondContact O-N 3.41Å; R260-L264 WeakPolarHBondContact O-CG 3.4Å; R260-L264 PolarHBondContact O-N 3.47Å
261	A	92.8	Very high	83.9	Confident	56 Å²	56	79.2 Å²	79.2	46%	0.463	40%	0.399	S	S	.	.	H	α-helix	trans	-59.4	-40.1	176	0	0	0	0	0	111.8	E257 R258 L264 S265	E257-A261 PolarHBondContact O-N 3.42Å; R258-A261 PolarHBondContact O-N 3.43Å; R258-A261 VanDerWaalsContact O-N 3.17Å; A261-L264 PolarHBondContact O-N 2.91Å; A261-S265 WeakPolarHBondContact O-CB 3.3Å; A261-S265 PolarHBondContact O-N 3.31Å
262	E	90	Very high	81.2	Confident	80 Å²	80	85.5 Å²	85.5	37%	0.374	43%	0.428	S	S	.	.	H	α-helix	trans	-63.7	-48.2	175.5	-74.6	167.2	-177.2	0	0	111.8	R258 R260 L264 S265 N266	R258-E262 WeakPolarHBondContact CD-OE1 3.34Å; R258-E262 HydrophobicContact CG-CG 4.42Å; R258-E262 WeakPolarHBondContact CG-OE1 3.48Å; R258-E262 WeakPolarHBondContact O-CB 3.32Å; R258-E262 WeakPolarHBondContact O-CG 3.39Å; R258-E262 PolarHBondContact O-N 3.5Å; R260-E262 VanDerWaalsContact C-N 3.28Å; R260-E262 PolarHBondContact O-N 2.96Å; E262-L264 VanDerWaalsContact C-N 3.33Å; E262-L264 PolarHBondContact O-N 3.24Å; E262-S265 PolarHBondContact O-N 3.27Å; E262-S265 VanDerWaalsContact O-N 3.14Å; E262-S265 PolarHBondContact O-OG 2.84Å; E262-N266 PolarHBondContact O-N 2.94Å
263	R	86.5	Confident	78.3	Confident	135 Å²	135	89.6 Å²	89.6	51%	0.509	46%	0.457	S	S	.	.	H	α-helix	trans	-55.6	-44.9	173.8	-75	170.8	-177.1	171.7	6	111.9	Q259 R260 N266 A267	Q259-R263 VanDerWaalsContact O-CG 3.25Å; Q259-R263 WeakPolarHBondContact O-CG 3.24Å; Q259-R263 PolarHBondContact O-N 2.83Å; Q259-R263 VanDerWaalsContact O-N 3.14Å; R260-R263 PolarHBondContact O-N 3.41Å; R263-N266 PolarHBondContact O-N 2.96Å; R263-A267 WeakPolarHBondContact O-CB 3.19Å; R263-A267 PolarHBondContact O-N 2.67Å
264	L	88.3	Confident	75.4	Confident	127 Å²	127	86.5 Å²	86.5	67%	0.665	46%	0.459	S	S	*	.	H	α-helix	trans	-64.3	-42.2	175.6	-69.3	169.3	0	0	0	112.3	R260 A261 E262 N266 A267 S268	R260-L264 WeakPolarHBondContact O-CG 3.4Å; R260-L264 PolarHBondContact O-N 3.47Å; A261-L264 PolarHBondContact O-N 2.91Å; E262-L264 VanDerWaalsContact C-N 3.33Å; E262-L264 PolarHBondContact O-N 3.24Å; L264-N266 VanDerWaalsContact C-N 3.26Å; L264-N266 PolarHBondContact O-N 3.38Å; L264-A267 PolarHBondContact O-N 2.87Å; L264-S268 PolarHBondContact O-N 2.95Å; L264-S268 PolarHBondContact O-OG 3.43Å
265	S	86.3	Confident	72.6	Confident	42 Å²	42	90.2 Å²	90.2	29%	0.294	47%	0.474	S	S	.	.	H	α-helix	trans	-70.4	-19.5	179.6	80.9	0	0	0	0	114.5	A261 E262 S268 K269	A261-S265 WeakPolarHBondContact O-CB 3.3Å; A261-S265 PolarHBondContact O-N 3.31Å; E262-S265 PolarHBondContact O-N 3.27Å; E262-S265 VanDerWaalsContact O-N 3.14Å; E262-S265 PolarHBondContact O-OG 2.84Å; S265-S268 PolarHBondContact O-OG 3.22Å; S265-K269 VanDerWaalsContact O-CD 3.25Å; S265-K269 WeakPolarHBondContact O-CD 3.19Å; S265-K269 WeakPolarHBondContact O-CE 3.15Å; S265-K269 VanDerWaalsContact O-CG 3.29Å; S265-K269 WeakPolarHBondContact O-CG 3.29Å
266	N	78	Confident	69.8	Low	98 Å²	98	96.5 Å²	96.5	52%	0.524	51%	0.506	S	S	.	.	H	α-helix	trans	-90.2	-35	173.4	-70.7	-21.2	0	0	0	110.9	E262 R263 L264 S268 K269 L270	E262-N266 PolarHBondContact O-N 2.94Å; R263-N266 PolarHBondContact O-N 2.96Å; L264-N266 VanDerWaalsContact C-N 3.26Å; L264-N266 PolarHBondContact O-N 3.38Å; N266-S268 VanDerWaalsContact C-N 3.3Å; N266-S268 PolarHBondContact O-N 3.15Å; N266-K269 PolarHBondContact O-N 3.48Å; N266-K269 VanDerWaalsContact O-N 3.09Å; N266-L270 PolarHBondContact O-N 2.92Å
267	A	75.5	Confident	66.8	Low	60 Å²	60	99.2 Å²	99.2	50%	0.496	53%	0.531	S	S	.	.	H	α-helix	trans	-60.2	-38.6	170.8	0	0	0	0	0	112.2	R263 L264 K269 L270	R263-A267 WeakPolarHBondContact O-CB 3.19Å; R263-A267 PolarHBondContact O-N 2.67Å; L264-A267 PolarHBondContact O-N 2.87Å; A267-K269 PolarHBondContact O-N 3.37Å; A267-L270 PolarHBondContact O-N 3.44Å
268	S	66.4	Low	63.8	Low	97 Å²	97	103.1 Å²	103.1	68%	0.678	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-3.8	175.1	62.1	0	0	0	0	115.1	L264 S265 N266	L264-S268 PolarHBondContact O-N 2.95Å; L264-S268 PolarHBondContact O-OG 3.43Å; S265-S268 PolarHBondContact O-OG 3.22Å; N266-S268 VanDerWaalsContact C-N 3.3Å; N266-S268 PolarHBondContact O-N 3.15Å
269	K	57	Low	60.7	Low	151 Å²	151	103.3 Å²	103.3	66%	0.657	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	1.1	174.8	-71	171.7	-170.1	159	0	113.7	S265 N266 A267	S265-K269 VanDerWaalsContact O-CD 3.25Å; S265-K269 WeakPolarHBondContact O-CD 3.19Å; S265-K269 WeakPolarHBondContact O-CE 3.15Å; S265-K269 VanDerWaalsContact O-CG 3.29Å; S265-K269 WeakPolarHBondContact O-CG 3.29Å; N266-K269 PolarHBondContact O-N 3.48Å; N266-K269 VanDerWaalsContact O-N 3.09Å; A267-K269 PolarHBondContact O-N 3.37Å
270	L	39.4	Very low	57.9	Low	128 Å²	128	108.5 Å²	108.5	67%	0.67	60%	0.6	S	S	*	*	S	Bend	trans	-60.7	139.3	166.3	-78.8	163	0	0	0	109.2	N266 A267	N266-L270 PolarHBondContact O-N 2.92Å; A267-L270 PolarHBondContact O-N 3.44Å
271	P	42.3	Very low	55.1	Low	92 Å²	92	114.1 Å²	114.1	60%	0.597	63%	0.627	S	S	*	*			trans	-61.7	149.2	-174.2	25.3	-34.3	0	0	0	111.7	S273	P271-S273 PolarHBondContact O-N 3.18Å; P271-S273 PolarHBondContact O-OG 3.29Å
272	E	39.5	Very low	52.1	Low	151 Å²	151	123.1 Å²	123.1	71%	0.706	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	32.4	-171	-162.3	146.8	-126.9	0	0	114.1	K275	E272-K275 HydrophobicContact CG-CD 4.31Å; E272-K275 IonicContact OE1-NZ 2.69Å; E272-K275 PolarHBondContact OE1-NZ 3.41Å
273	S	36.6	Very low	49.3	Very low	87 Å²	87	124.2 Å²	124.2	61%	0.608	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-15.6	175.3	50.2	0	0	0	0	113.8	P271	P271-S273 PolarHBondContact O-N 3.18Å; P271-S273 PolarHBondContact O-OG 3.29Å
274	S	36.8	Very low	46.7	Very low	93 Å²	93	126.3 Å²	126.3	65%	0.65	68%	0.681	S	S	*	*	S	Bend	trans	-95.6	-3.7	-172.3	-50.6	0	0	0	0	115
275	K	37.3	Very low	44	Very low	152 Å²	152	126 Å²	126	66%	0.661	69%	0.686	S	S	*	*	S	Bend	trans	-90.5	4.8	-175.8	-75.5	-174.6	-174.4	163.9	0	115.2	E272	E272-K275 HydrophobicContact CG-CD 4.31Å; E272-K275 IonicContact OE1-NZ 2.69Å; E272-K275 PolarHBondContact OE1-NZ 3.41Å
276	I	37.9	Very low	41.2	Very low	133 Å²	133	129.1 Å²	129.1	68%	0.682	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-15.4	-174.5	-64.2	176.1	0	0	0	112.4
277	T	33.6	Very low	38.9	Very low	123 Å²	123	133.8 Å²	133.8	76%	0.755	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	6.9	-169.6	46.9	0	0	0	0	116.9
278	E	32.7	Very low	36.6	Very low	184 Å²	184	138 Å²	138	86%	0.86	74%	0.735	S	S	*	*	S	Bend	trans	-111.8	-2	173.5	-75	-166.3	124.1	0	0	114.8	V280	E278-V280 VanDerWaalsContact C-N 3.33Å; E278-V280 PolarHBondContact O-N 2.61Å
279	A	31.3	Very low	34.9	Very low	87 Å²	87	141.9 Å²	141.9	72%	0.719	74%	0.743	S	S	*	*	S	Bend	trans	-80.1	-6.6	179.4	0	0	0	0	0	114.8
280	V	34.7	Very low	33.7	Very low	120 Å²	120	139.6 Å²	139.6	73%	0.727	74%	0.741	S	S	*	*			trans	-108.1	45.2	-168.1	-160.1	0	0	0	0	112.4	E278	E278-V280 VanDerWaalsContact C-N 3.33Å; E278-V280 PolarHBondContact O-N 2.61Å
281	K	35	Very low	33.3	Very low	201 Å²	201	140.3 Å²	140.3	87%	0.874	75%	0.746	S	S	*	*	S	Bend	trans	-133.1	23.4	174.2	-96.9	-173.6	177.1	179.2	0	114.5
282	R	28.9	Very low	33	Very low	245 Å²	245	144.1 Å²	144.1	93%	0.925	76%	0.756	S	S	*	*			trans	-135.5	73.6	172.8	-76	-171.4	172.2	-175.7	-2.6	112
283	S	31.9	Very low	32.6	Very low	102 Å²	102	143.9 Å²	143.9	71%	0.713	76%	0.759	S	S	*	*			trans	-158.1	99.7	166.5	56.3	0	0	0	0	110.5
284	H	30.9	Very low	32.5	Very low	180 Å²	180	145.1 Å²	145.1	83%	0.833	76%	0.763	S	S	*	*			trans	-76.8	135.2	160.5	-85.9	-92.7	0	0	0	109.2	V286	H284-V286 HydrophobicContact CB-CG2 4.47Å
285	P	32	Very low	32.3	Very low	119 Å²	119	146.6 Å²	146.6	77%	0.773	76%	0.763	S	S	*	*			trans	-88.7	157.2	141.9	34.4	-28.4	0	0	0	110
286	V	27.9	Very low	32.1	Very low	108 Å²	108	143.6 Å²	143.6	66%	0.655	76%	0.758	S	S	*	*			trans	-137.7	124.1	-177.2	173.8	0	0	0	0	110.4	H284 L288	H284-V286 HydrophobicContact CB-CG2 4.47Å; V286-L288 HydrophobicContact CG1-CG 4.25Å
287	E	30.1	Very low	32.1	Very low	196 Å²	196	143.1 Å²	143.1	92%	0.916	76%	0.757	S	S	*	*			trans	-139.8	116.5	155.5	-62.7	180	153.3	0	0	103.6
288	L	27	Very low	32.1	Very low	150 Å²	150	142.7 Å²	142.7	79%	0.785	75%	0.75	S	S	*	*			cis	91.4	147.1	44.6	-76.1	176.2	0	0	0	114.4	V286	V286-L288 HydrophobicContact CG1-CG 4.25Å
289	E	31.1	Very low	32.3	Very low	178 Å²	178	140.5 Å²	140.5	83%	0.832	74%	0.744	S	S	*	*			trans	73.7	130.1	-177.4	-56.5	-166.9	-161.4	0	0	115.4
290	T	30.3	Very low	32.6	Very low	102 Å²	102	143.7 Å²	143.7	63%	0.626	75%	0.749	S	S	*	*			cis	-160.1	160.7	-2.4	3.8	0	0	0	0	112.6
291	D	31.1	Very low	32.8	Very low	144 Å²	144	145.2 Å²	145.2	77%	0.77	75%	0.753	S	S	*	*			trans	62.2	138.4	149.2	-55.7	-20.1	0	0	0	120.7
292	E	36.1	Very low	33	Very low	172 Å²	172	142 Å²	142	80%	0.804	75%	0.746	S	S	*	*			cis	-131.2	143.7	-2.1	-70.2	-163.4	147.9	0	0	109.2
293	N	31.1	Very low	33.5	Very low	145 Å²	145	137.3 Å²	137.3	78%	0.775	74%	0.739	S	S	*	*				59.6	130.1	80.1	-128.3	5.6	0	0	0	112.6
294	V	34.6	Very low	33.7	Very low	113 Å²	113	139.8 Å²	139.8	69%	0.685	74%	0.744	S	S	*	*			cis	-155	154.4	26.4	176.6	0	0	0	0	107.1
295	N	32.6	Very low	33.8	Very low	124 Å²	124	137.7 Å²	137.7	66%	0.663	74%	0.739	S	S	*	*			cis	-126.5	-145.3	7.2	-126	5.6	0	0	0	109.2
296	T	34.1	Very low	33.8	Very low	90 Å²	90	136.3 Å²	136.3	55%	0.552	73%	0.732	S	S	*	*			cis	67.6	148.9	21.2	98	0	0	0	0	117.2
297	D	36.9	Very low	33.8	Very low	123 Å²	123	138.2 Å²	138.2	66%	0.658	74%	0.738	S	S	*	*			cis	-130.2	137.9	7.1	-78	-78.9	0	0	0	110.1
298	N	34.6	Very low	33.9	Very low	114 Å²	114	135.4 Å²	135.4	61%	0.61	73%	0.728	S	S	*	*				64.4	130	76.5	-51.5	-27.7	0	0	0	112.1
299	D	36.3	Very low	33.9	Very low	138 Å²	138	136.4 Å²	136.4	74%	0.738	73%	0.728	S	S	*	*			cis	-132.9	-154.6	-3	-68.4	-54.2	0	0	0	107.9
300	D	37	Very low	34	Very low	154 Å²	154	134.3 Å²	134.3	82%	0.824	72%	0.722	S	S	*	*			cis	-146.8	171.2	4	-6.7	-118	0	0	0	113
301	D	39.8	Very low	34	Very low	152 Å²	152	135.7 Å²	135.7	81%	0.813	73%	0.725	S	S	*	*			trans	-82.5	-179.5	179	-41.8	-53.5	0	0	0	114.1
302	D	39.6	Very low	34	Very low	134 Å²	134	136.1 Å²	136.1	72%	0.717	72%	0.722	S	S	*	*			cis	-164.7	170.9	-2	-125.6	-11.8	0	0	0	110.3
303	D	39	Very low	33.8	Very low	145 Å²	145	132.7 Å²	132.7	78%	0.775	72%	0.718	S	S	*	*			trans	12.7	164.9	156.2	-71.7	-22	0	0	0	123.6
304	D	36	Very low	33.8	Very low	155 Å²	155	133.3 Å²	133.3	83%	0.829	72%	0.721	S	S	*	*			cis	-154.5	-159.5	24.4	-158.4	-13.3	0	0	0	112.3
305	N	32.4	Very low	33.5	Very low	136 Å²	136	132.8 Å²	132.8	73%	0.727	72%	0.721	S	S	*	*			trans	-126.4	157	-147.3	-162.3	-7.1	0	0	0	116.8
306	S	31.3	Very low	33.2	Very low	89 Å²	89	132.4 Å²	132.4	62%	0.622	72%	0.723	S	S	*	*			trans	88.3	160	145.5	84.2	0	0	0	0	123.6
307	L	28.5	Very low	33.1	Very low	149 Å²	149	135.7 Å²	135.7	78%	0.78	74%	0.737	S	S	*	*			trans	65.5	156.2	173.3	-81.3	85.1	0	0	0	119.1
308	I	32	Very low	32.9	Very low	137 Å²	137	138.2 Å²	138.2	70%	0.703	74%	0.742	S	S	*	*			cis	-175.4	118.3	-40.9	-110.4	176.1	0	0	0	107
309	E	28.5	Very low	32.5	Very low	170 Å²	170	142.4 Å²	142.4	79%	0.794	76%	0.755	S	S	*	*			trans	63.1	160.2	134.2	-143.7	176.6	-126.1	0	0	124.9
310	I	31.8	Very low	32.6	Very low	134 Å²	134	141.3 Å²	141.3	69%	0.687	76%	0.756	S	S	*	*			trans	94.2	98	156.8	-53.1	-176.6	0	0	0	120.6
311	D	30.5	Very low	32.3	Very low	132 Å²	132	138.2 Å²	138.2	71%	0.706	75%	0.751	S	S	*	*				53.4	158.8	129.6	-78	-8.1	0	0	0	124
312	Q	30.9	Very low	31.8	Very low	152 Å²	152	137.6 Å²	137.6	71%	0.71	75%	0.746	S	S	*	*			cis	-157.8	164.5	-1.1	-130.1	172.1	70.5	0	0	113.7
313	S	32.5	Very low	31.2	Very low	101 Å²	101	139.4 Å²	139.4	71%	0.706	75%	0.751	S	S	*	*			trans	73.7	123.4	152	77.9	0	0	0	0	121.6
314	N	31.3	Very low	30.8	Very low	158 Å²	158	140.1 Å²	140.1	85%	0.845	75%	0.75	S	S	*	*				-167.6	177	95.4	-133.6	-38.1	0	0	0	112.3
315	C	27.5	Very low	30.4	Very low	101 Å²	101	139.2 Å²	139.2	68%	0.682	75%	0.745	S	S	*	*			trans	-129.2	146.2	-156.3	63.6	0	0	0	0	119.5
316	V	27.3	Very low	30.4	Very low	117 Å²	117	139.2 Å²	139.2	71%	0.709	74%	0.743	S	S	*	*			trans	55.8	125.3	141.5	176.7	0	0	0	0	121.3
317	N	31.9	Very low	30.3	Very low	159 Å²	159	144.7 Å²	144.7	85%	0.85	75%	0.752	S	S	*	*			trans	-151.4	179.3	139.9	-109.5	-47.9	0	0	0	112.8
318	K	32.8	Very low	30.3	Very low	175 Å²	175	142.1 Å²	142.1	76%	0.761	75%	0.746	S	S	*	*			trans	-131.3	141.8	-148.1	-53.2	161.5	-178.7	164.2	0	117.3
319	K	26.8	Very low	30.3	Very low	202 Å²	202	140.5 Å²	140.5	88%	0.878	75%	0.747	S	S	*	*			trans	59.7	171.9	143.5	-99.2	-169.2	168.6	-167	0	119.7
320	P	38	Very low	30.3	Very low	116 Å²	116	139.8 Å²	139.8	75%	0.753	75%	0.748	S	S	*	*			cis	-130.7	-162.3	-24	37	-16.5	0	0	0	114.1
321	A	29.4	Very low	30.1	Very low	88 Å²	88	139.1 Å²	139.1	73%	0.727	75%	0.746	S	S	*	*			trans	-82.5	-177.7	179.5	0	0	0	0	0	114.6
322	I	30.1	Very low	30	Very low	139 Å²	139	138.6 Å²	138.6	71%	0.713	74%	0.743	S	S	*	*				-174.6	145	74.9	-81.8	175.3	0	0	0	111.4
323	E	26.4	Very low	29.9	Very low	172 Å²	172	137.5 Å²	137.5	80%	0.804	75%	0.747	S	S	*	*			trans	48.8	158.5	159.6	-63.7	154.3	-154.2	0	0	120.1
324	Q	31.1	Very low	29.9	Very low	161 Å²	161	139 Å²	139	75%	0.752	75%	0.754	S	S	*	*			cis	-155.3	162.9	33.6	-66.9	175.2	-40.9	0	0	113
325	D	28.5	Very low	29.6	Very low	136 Å²	136	137.1 Å²	137.1	73%	0.727	75%	0.753	S	S	*	*			trans	57.2	153.2	140.4	-66.5	0.2	0	0	0	122.5
326	I	31.5	Very low	29.6	Very low	135 Å²	135	137.3 Å²	137.3	69%	0.692	76%	0.756	S	S	*	*			cis	-159.6	150.2	-3.2	-115.6	168	0	0	0	112
327	Y	28.4	Very low	29.8	Very low	204 Å²	204	138.7 Å²	138.7	80%	0.8	76%	0.758	S	S	*	*			trans	48.9	111.4	158.3	-87.6	-107.7	0	0	0	125.9
328	S	29.3	Very low	29.8	Very low	95 Å²	95	136.3 Å²	136.3	66%	0.664	75%	0.75	S	S	*	*				78	132.4	118.7	74.1	0	0	0	0	125.9
329	S	31.7	Very low	29.8	Very low	104 Å²	104	135.5 Å²	135.5	73%	0.727	75%	0.754	S	S	*	*			trans	93.1	112.1	137.9	-67	0	0	0	0	123.5
330	L	28.6	Very low	30.1	Very low	154 Å²	154	128.7 Å²	128.7	81%	0.806	74%	0.741	S	S	*	*			trans	74.9	119.8	135.3	-64.4	164.4	0	0	0	122.2
331	N	28.3	Very low	30.2	Very low	121 Å²	121	132.4 Å²	132.4	65%	0.647	75%	0.745	S	S	*	*			trans	76.2	120.3	139.1	-71.2	48.6	0	0	0	123.4
332	D	27	Very low	30.3	Very low	121 Å²	121	134.3 Å²	134.3	65%	0.647	74%	0.742	S	S	*	*				69.8	111.4	125.9	-54.5	-23.3	0	0	0	123.4
333	T	29	Very low	30.5	Very low	129 Å²	129	134.1 Å²	134.1	79%	0.791	74%	0.742	S	S	*	*			trans	68	133	138.8	60.4	0	0	0	0	120.2
334	P	33.9	Very low	30.9	Very low	133 Å²	133	134 Å²	134	86%	0.864	74%	0.738	S	S	*	*			trans	-85.6	136.5	-177.4	34.1	-34.4	0	0	0	113.3
335	S	24.4	Very low	30.8	Very low	118 Å²	118	134.9 Å²	134.9	83%	0.825	74%	0.74	S	S	*	*			trans	-155.5	149.1	156.2	64.2	0	0	0	0	110
336	S	27.1	Very low	30.9	Very low	105 Å²	105	133.9 Å²	133.9	73%	0.734	74%	0.738	S	S	*	*			trans	163.2	160.5	140.7	-168.2	0	0	0	0	112.7
337	L	31.8	Very low	30.9	Very low	145 Å²	145	133.3 Å²	133.3	76%	0.759	74%	0.741	S	S	*	*			trans	89.3	80.1	166.9	-51.8	-178	0	0	0	116.8
338	T	32.4	Very low	31.2	Very low	109 Å²	109	128.4 Å²	128.4	67%	0.669	74%	0.737	S	S	*	*				76	138.5	73.4	65.3	0	0	0	0	114.6
339	N	31.8	Very low	31.2	Very low	158 Å²	158	130 Å²	130	85%	0.845	74%	0.738	S	S	*	*			cis	-165.8	161.9	-4.2	-118.7	-36.9	0	0	0	108.5
340	G	33.6	Very low	31.4	Very low	59 Å²	59	132.3 Å²	132.3	61%	0.608	74%	0.737	S	S	*	*			cis	-124.4	-101.6	-3.3	0	0	0	0	0	110.6
341	K	40.4	Very low	31.5	Very low	194 Å²	194	131.8 Å²	131.8	84%	0.843	74%	0.735	S	S	*	*			cis	-178.3	163.5	-13.7	-119.8	-176.2	-178.5	176	0	106
342	L	31.7	Very low	31.6	Very low	128 Å²	128	133.5 Å²	133.5	67%	0.67	74%	0.741	S	S	*	*			cis	-163.6	128.9	-0.7	177.5	70.5	0	0	0	109.7
343	I	34.5	Very low	31.8	Very low	136 Å²	136	133 Å²	133	70%	0.697	74%	0.742	S	S	*	*			trans	67.3	135.4	160.8	-76.3	174.5	0	0	0	116.9
344	K	33.2	Very low	31.9	Very low	168 Å²	168	133.1 Å²	133.1	73%	0.73	74%	0.737	S	S	*	*			cis	-161.9	150.9	6.1	-126.8	174.8	-160.6	163.5	0	111.5
345	K	30.6	Very low	31.6	Very low	181 Å²	181	133 Å²	133	79%	0.787	73%	0.729	S	S	*	*			trans	62.4	157.4	153.8	-73.8	-162.2	167.1	-170	0	117.5
346	T	29.3	Very low	31.6	Very low	114 Å²	114	133 Å²	133	70%	0.699	72%	0.724	S	S	*	*			cis	-172.8	154.5	-13.5	26	0	0	0	0	107.2
347	V	32.9	Very low	31.7	Very low	123 Å²	123	134.1 Å²	134.1	75%	0.745	73%	0.727	S	S	*	*			cis	-172.3	166	-20.1	108.8	0	0	0	0	107.9
348	S	33.1	Very low	31.4	Very low	101 Å²	101	133 Å²	133	71%	0.706	73%	0.727	S	S	*	*			trans	65.1	155.2	167.8	59.8	0	0	0	0	119.3
349	N	29.6	Very low	31.4	Very low	130 Å²	130	135.8 Å²	135.8	70%	0.695	74%	0.736	S	S	*	*			cis	-179.1	166.2	-45.4	-111.9	36.4	0	0	0	109.4
350	E	35.3	Very low	31.1	Very low	151 Å²	151	133.8 Å²	133.8	71%	0.706	73%	0.729	S	S	*	*			trans	68.8	79.2	151.8	-74.5	149.7	-113.9	0	0	119.8
351	D	30.9	Very low	31	Very low	143 Å²	143	137 Å²	137	77%	0.765	74%	0.737	S	S	*	*				64.9	128	104.4	-60.9	-29.7	0	0	0	124.2
352	M	30.5	Very low	30.4	Very low	157 Å²	157	133.4 Å²	133.4	77%	0.773	73%	0.732	S	S	*	*				84.9	114.8	128	-84.9	-173.6	65.8	0	0	123.4
353	V	32.2	Very low	30.3	Very low	110 Å²	110	132.6 Å²	132.6	67%	0.667	73%	0.732	S	S	*	*				71.7	135.2	119.6	143.8	0	0	0	0	119
354	L	30.4	Very low	30.2	Very low	132 Å²	132	134.9 Å²	134.9	69%	0.691	74%	0.74	S	S	*	*			cis	-155.3	160	5.1	-102.8	165.6	0	0	0	111.9
355	N	28.5	Very low	29.9	Very low	130 Å²	130	131.1 Å²	131.1	70%	0.695	74%	0.735	S	S	*	*			trans	59.7	119.1	143.6	-71	-4.3	0	0	0	124.9
356	T	24.8	Very low	29.8	Very low	118 Å²	118	128.3 Å²	128.3	72%	0.724	73%	0.733	S	S	*	*				66.3	114.3	122.3	-45.5	0	0	0	0	121
357	T	29.2	Very low	29.7	Very low	129 Å²	129	129.7 Å²	129.7	79%	0.791	74%	0.736	S	S	*	*				-179	158.1	112.3	-68	0	0	0	0	110.5
358	T	25.2	Very low	29.5	Very low	123 Å²	123	130.5 Å²	130.5	76%	0.755	74%	0.735	S	S	*	*			trans	-74	156.9	178.1	43.8	0	0	0	0	114.5
359	I	32	Very low	29.4	Very low	166 Å²	166	131.8 Å²	131.8	85%	0.851	74%	0.744	S	S	*	*			trans	-174.1	161.9	135.4	-97.4	154.9	0	0	0	110.2
360	T	25.4	Very low	29.6	Very low	117 Å²	117	129 Å²	129	72%	0.718	74%	0.739	S	S	*	*			trans	-98.7	151.3	-171.7	47	0	0	0	0	113.9
361	T	30.6	Very low	29.4	Very low	125 Å²	125	130.4 Å²	130.4	77%	0.767	75%	0.746	S	S	*	*				159.9	120.4	117.1	46.8	0	0	0	0	115.1
362	T	28.4	Very low	29.5	Very low	120 Å²	120	132.2 Å²	132.2	74%	0.736	75%	0.75	S	S	*	*			trans	58	144.8	130.6	-23.8	0	0	0	0	124.4
363	T	30.3	Very low	29.7	Very low	111 Å²	111	133.8 Å²	133.8	68%	0.681	75%	0.747	S	S	*	*			trans	79.6	111.9	154.2	23.8	0	0	0	0	121.7
364	Q	31.2	Very low	29.7	Very low	183 Å²	183	132.9 Å²	132.9	86%	0.855	74%	0.742	S	S	*	*			trans	47.5	137.1	130.7	-61.5	179.2	6.6	0	0	119.5
365	S	28.1	Very low	29.8	Very low	90 Å²	90	133.7 Å²	133.7	63%	0.629	74%	0.742	S	S	*	*			cis	-171.4	160.5	21.5	-152.5	0	0	0	0	111.2
366	T	28.5	Very low	29.9	Very low	122 Å²	122	134.6 Å²	134.6	75%	0.748	75%	0.745	S	S	*	*			trans	59.2	150.6	155.6	49.7	0	0	0	0	119.2
367	L	27.2	Very low	30.2	Very low	143 Å²	143	136 Å²	136	75%	0.749	75%	0.747	S	S	*	*			cis	-158.6	165.7	2.5	-117.2	161.5	0	0	0	109.6
368	L	29	Very low	30.3	Very low	139 Å²	139	138 Å²	138	73%	0.728	75%	0.748	S	S	*	*			trans	62	117.9	155.3	-67.3	162.9	0	0	0	120.9	A370	L368-A370 HydrophobicContact CD2-CB 4.06Å
369	S	30.2	Very low	30.6	Very low	128 Å²	128	138.3 Å²	138.3	90%	0.895	76%	0.755	S	S	*	*				-126.8	137.5	108.4	59.5	0	0	0	0	110.2
370	A	33.3	Very low	30.5	Very low	73 Å²	73	134.8 Å²	134.8	60%	0.603	75%	0.751	S	S	*	*			trans	-131.7	139.4	175.2	0	0	0	0	0	106.1	L368	L368-A370 HydrophobicContact CD2-CB 4.06Å
371	Q	32.2	Very low	30.6	Very low	179 Å²	179	136.3 Å²	136.3	84%	0.836	76%	0.76	S	S	*	*			cis	86.1	94.1	42.6	-170.9	-170.7	19	0	0	112.8
372	E	32.3	Very low	30.4	Very low	182 Å²	182	138.7 Å²	138.7	85%	0.85	77%	0.765	S	S	*	*			trans	-135.6	136.1	159.9	-75.5	-162.8	128.6	0	0	108.1
373	R	34.7	Very low	30.5	Very low	190 Å²	190	139 Å²	139	72%	0.717	77%	0.767	S	S	*	*			cis	93.7	144.1	41	-76.6	-173.6	155.5	-103.4	-3.3	111.4	E375	R373-E375 IonicContact NH1-OE1 2.77Å
374	T	31.9	Very low	30.5	Very low	91 Å²	91	139.1 Å²	139.1	56%	0.558	77%	0.767	S	S	*	*			cis	-163.1	155.3	6.7	-0.1	0	0	0	0	115.3
375	E	32.2	Very low	30.4	Very low	149 Å²	149	135.2 Å²	135.2	70%	0.696	76%	0.76	S	S	*	*			trans	55.9	171.8	142.3	-77.3	157.7	-130.1	0	0	118.2	R373	R373-E375 IonicContact NH1-OE1 2.77Å
376	I	32	Very low	30.5	Very low	149 Å²	149	140.7 Å²	140.7	76%	0.764	77%	0.773	S	S	*	*			cis	-117	-140.2	5.5	-18	177.8	0	0	0	109.8
377	L	30.9	Very low	30.6	Very low	146 Å²	146	141.7 Å²	141.7	76%	0.764	77%	0.774	S	S	*	*			cis	-140.8	-154.7	-1.1	-139.9	176.3	0	0	0	108.9
378	Q	29.8	Very low	30.9	Very low	173 Å²	173	143.2 Å²	143.2	81%	0.808	78%	0.777	S	S	*	*			trans	-151.5	152.6	-170	-61.1	178.4	-30.2	0	0	114.6
379	S	31.4	Very low	30.9	Very low	128 Å²	128	142.3 Å²	142.3	90%	0.895	78%	0.782	S	S	*	*				-178.2	174	128	49.4	0	0	0	0	111.2
380	A	29.8	Very low	30.9	Very low	93 Å²	93	141.8 Å²	141.8	77%	0.769	77%	0.774	S	S	*	*			trans	-150	168.7	-169.7	0	0	0	0	0	113.4
381	T	29.2	Very low	30.8	Very low	149 Å²	149	144.5 Å²	144.5	91%	0.914	78%	0.778	S	S	*	*			trans	-161.3	161.2	163.4	1.5	0	0	0	0	111.6
382	M	25.7	Very low	30.8	Very low	174 Å²	174	144 Å²	144	86%	0.857	78%	0.776	S	S	*	*			trans	-131.9	150.3	-176	-69.5	-174.1	72	0	0	113.5
383	T	31.3	Very low	30.7	Very low	127 Å²	127	143.1 Å²	143.1	78%	0.779	77%	0.772	S	S	*	*			trans	-146.1	117.5	152.2	38	0	0	0	0	107.3
384	T	30.2	Very low	30.6	Very low	113 Å²	113	138.9 Å²	138.9	69%	0.693	77%	0.769	S	S	*	*				52.5	132.3	80.8	66.1	0	0	0	0	115
385	S	27.6	Very low	30.4	Very low	101 Å²	101	143.3 Å²	143.3	71%	0.706	78%	0.781	S	S	*	*			cis	-175.3	151.4	-11	-82.5	0	0	0	0	107.5
386	F	30.9	Very low	30.1	Very low	206 Å²	206	142.9 Å²	142.9	90%	0.904	78%	0.782	S	S	*	*			trans	-176.5	158	135.5	-109.5	-72.3	0	0	0	113
387	N	31	Very low	29.7	Very low	142 Å²	142	141.7 Å²	141.7	76%	0.759	78%	0.781	S	S	*	*			trans	-86.9	-176.7	-178.3	-54.2	-50.6	0	0	0	110.8
388	Q	32.6	Very low	29.6	Very low	176 Å²	176	140.8 Å²	140.8	82%	0.822	79%	0.787	S	S	*	*			cis	-168.1	141.1	20.8	-162.3	169.9	18.4	0	0	112.3
389	S	30.7	Very low	29.3	Very low	119 Å²	119	137.5 Å²	137.5	83%	0.832	78%	0.784	S	S	*	*			trans	174.1	148.8	139.7	-79.1	0	0	0	0	110.3
390	T	29.3	Very low	29.2	Very low	117 Å²	117	137.2 Å²	137.2	72%	0.718	78%	0.777	S	S	*	*			trans	-135.8	175.8	-167.7	50.6	0	0	0	0	113.1
391	D	30.2	Very low	29.2	Very low	130 Å²	130	140.9 Å²	140.9	70%	0.695	78%	0.778	S	S	*	*			trans	80.2	141.2	163.3	-56.6	-69.3	0	0	0	117.1
392	Q	33.6	Very low	29.1	Very low	168 Å²	168	140.1 Å²	140.1	79%	0.785	76%	0.764	S	S	*	*			cis	-152.6	136.5	13.7	-143.5	161.2	88.5	0	0	114.5
393	Q	29.6	Very low	29.4	Very low	165 Å²	165	139.1 Å²	139.1	77%	0.771	76%	0.755	S	S	*	*			trans	47.1	130.7	146.3	-66.5	-67.6	-13	0	0	124.1
394	P	33.7	Very low	29.1	Very low	100 Å²	100	144.2 Å²	144.2	65%	0.649	76%	0.76	S	S	*	*			trans	-112.8	-174.9	156.6	40.3	-30.6	0	0	0	114.3
395	F	26.3	Very low	29.1	Very low	185 Å²	185	144.3 Å²	144.3	81%	0.811	77%	0.765	S	S	*	*			trans	101.7	106.6	156.3	-85.2	-49.5	0	0	0	123.7
396	I	27.1	Very low	29	Very low	140 Å²	140	147.4 Å²	147.4	72%	0.718	77%	0.773	S	S	*	*			trans	62.7	142.7	139.2	42.7	176.4	0	0	0	128
397	T	23.2	Very low	29.2	Very low	123 Å²	123	142.6 Å²	142.6	76%	0.755	76%	0.762	S	S	*	*			trans	76.7	113.7	144.2	42.8	0	0	0	0	122.8
398	S	27.6	Very low	29	Very low	127 Å²	127	143 Å²	143	89%	0.888	76%	0.763	S	S	*	*				-172.6	179.6	107.8	41.1	0	0	0	0	110.4
399	S	25.1	Very low	29	Very low	105 Å²	105	139.2 Å²	139.2	73%	0.734	76%	0.756	S	S	*	*			trans	-151.7	174.5	-159.9	57.7	0	0	0	0	115.6
400	T	29.2	Very low	29	Very low	122 Å²	122	140.4 Å²	140.4	75%	0.748	75%	0.753	S	S	*	*			trans	99.8	115.1	160.8	65.8	0	0	0	0	121.5
401	Q	29.2	Very low	29.2	Very low	169 Å²	169	139.3 Å²	139.3	79%	0.79	75%	0.751	S	S	*	*				85.5	113.2	126.6	-76.3	-171.6	-17.8	0	0	124.9
402	E	28.1	Very low	29.3	Very low	133 Å²	133	136.1 Å²	136.1	62%	0.621	75%	0.749	S	S	*	*				107.7	124.3	118.7	-84.1	-153.3	135.6	0	0	124.1
403	K	30.5	Very low	29.2	Very low	153 Å²	153	134.7 Å²	134.7	67%	0.665	75%	0.746	S	S	*	*			trans	91	112.7	135.1	-79.8	168.9	174.9	139.8	0	122.8
404	R	26.4	Very low	29.2	Very low	234 Å²	234	134.8 Å²	134.8	88%	0.883	75%	0.745	S	S	*	*			trans	92.6	145.3	132.9	-85.3	-174.1	167.7	-173.9	-3.5	121.3
405	S	29.9	Very low	28.8	Very low	116 Å²	116	137.5 Å²	137.5	81%	0.811	75%	0.753	S	S	*	*			trans	95.1	117.8	159.2	-50	0	0	0	0	118.3
406	L	24.7	Very low	28.9	Very low	166 Å²	166	133.5 Å²	133.5	87%	0.869	75%	0.748	S	S	*	*			trans	-84.6	178.9	158.9	-65.6	170.3	0	0	0	108.5
407	P	35.2	Very low	29	Very low	105 Å²	105	134.2 Å²	134.2	68%	0.682	75%	0.751	S	S	*	*			cis	-149	-177.2	17.4	44.3	-23.8	0	0	0	119.6
408	L	27.9	Very low	29.1	Very low	149 Å²	149	135.3 Å²	135.3	78%	0.78	75%	0.752	S	S	*	*			trans	83.8	129.5	140.8	-92.5	160.5	0	0	0	122.9
409	S	32.1	Very low	29.4	Very low	97 Å²	97	135.6 Å²	135.6	68%	0.678	74%	0.743	S	S	*	*			trans	63.1	142.1	150.4	53.9	0	0	0	0	119.3
410	D	29.8	Very low	29.5	Very low	144 Å²	144	137.7 Å²	137.7	77%	0.77	75%	0.746	S	S	*	*			cis	-168	168.5	-2.7	-119	46.3	0	0	0	107.4
411	S	33.7	Very low	29.6	Very low	95 Å²	95	141.5 Å²	141.5	66%	0.664	75%	0.752	S	S	*	*			cis	-169.1	-178.7	-24.7	43.2	0	0	0	0	107.8
412	G	33.1	Very low	29.8	Very low	63 Å²	63	138.6 Å²	138.6	65%	0.649	75%	0.748	S	S	*	*			trans	109.5	89.2	179.4	0	0	0	0	0	113.5
413	D	30.8	Very low	29.7	Very low	137 Å²	137	141.8 Å²	141.8	73%	0.733	76%	0.76	S	S	*	*			cis	82.6	132.8	44.7	-56.3	-15.7	0	0	0	112.8
414	F	30.5	Very low	29.6	Very low	168 Å²	168	141.6 Å²	141.6	74%	0.737	76%	0.761	S	S	*	*			cis	-153	160.6	-2.1	-142	-112.4	0	0	0	110.6
415	L	24.8	Very low	29.9	Very low	157 Å²	157	137.4 Å²	137.4	82%	0.822	75%	0.749	S	S	*	*			trans	-128	149.4	164.6	-100.1	175	0	0	0	109.8
416	S	27.1	Very low	29.8	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	75%	0.75	S	S	*	*			trans	65.6	124.9	168.5	-55.2	0	0	0	0	118.2
417	I	30.4	Very low	30.1	Very low	155 Å²	155	134.1 Å²	134.1	80%	0.795	75%	0.747	S	S	*	*			trans	-129.4	105.7	147.9	-61.3	-178.9	0	0	0	108
418	D	25.7	Very low	30	Very low	146 Å²	146	138.8 Å²	138.8	78%	0.781	76%	0.757	S	S	*	*			trans	-141.7	107.6	155.8	-177	11.7	0	0	0	106.7
419	I	32.6	Very low	30	Very low	133 Å²	133	136.6 Å²	136.6	68%	0.682	75%	0.754	S	S	*	*			trans	-144.1	104.6	-171.6	-56.6	-178	0	0	0	110.8
420	N	28.8	Very low	30	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	76%	0.759	S	S	*	*			trans	-73.2	136.6	155	-84.1	-72.9	0	0	0	110.1
421	K	30.2	Very low	30	Very low	202 Å²	202	137.5 Å²	137.5	88%	0.878	76%	0.758	S	S	*	*			trans	-90.2	134.8	178.8	-74.5	-179.1	176.2	175.5	0	112.7
422	P	33.1	Very low	30.3	Very low	108 Å²	108	138.7 Å²	138.7	70%	0.701	76%	0.763	S	S	*	*			trans	-126.7	133.1	163.2	34.6	-20.2	0	0	0	115.6
423	F	27.2	Very low	30.2	Very low	200 Å²	200	143 Å²	143	88%	0.877	77%	0.767	S	S	*	*			trans	53.8	127.8	139.4	-81	-90.4	0	0	0	124.4
424	E	28	Very low	30.4	Very low	148 Å²	148	144 Å²	144	69%	0.692	76%	0.764	S	S	*	*				-166	161.2	107.9	-97.4	-157.5	140.1	0	0	109.1
425	K	31.4	Very low	30.4	Very low	146 Å²	146	140.3 Å²	140.3	64%	0.635	76%	0.76	S	S	*	*			cis	-158.4	159.8	11.1	-138	169.6	177.4	92.2	0	113.1
426	T	29	Very low	31.2	Very low	135 Å²	135	138.2 Å²	138.2	83%	0.828	76%	0.756	S	S	*	*			trans	71.5	134.1	158.4	64.3	0	0	0	0	122.8
427	G	30.9	Very low	31.5	Very low	78 Å²	78	139.3 Å²	139.3	80%	0.804	76%	0.758	S	S	*	*			trans	152.2	56.7	154.4	0	0	0	0	0	123
428	K	32.8	Very low	31.4	Very low	204 Å²	204	139.5 Å²	139.5	89%	0.887	76%	0.757	S	S	*	*			trans	31.8	119.9	159.3	-74.5	-178	175.9	179.9	0	120.9
429	S	27.4	Very low	31.7	Very low	103 Å²	103	138.5 Å²	138.5	72%	0.72	76%	0.756	S	S	*	*				69.6	125.2	88.6	-159.5	0	0	0	0	114.6
430	I	33.7	Very low	31.6	Very low	151 Å²	151	137.8 Å²	137.8	77%	0.774	76%	0.758	S	S	*	*				-166.8	119.7	69.9	-78.5	173.5	0	0	0	107.2
431	S	28.4	Very low	31.4	Very low	108 Å²	108	135.7 Å²	135.7	76%	0.755	76%	0.755	S	S	*	*				84.3	153.3	90.8	-61.2	0	0	0	0	117.9
432	P	40.4	Very low	31.4	Very low	120 Å²	120	132.8 Å²	132.8	78%	0.779	76%	0.755	S	S	*	*			trans	-137.2	-177	-145.9	45.6	-29.2	0	0	0	117.5
433	E	30.3	Very low	30.9	Very low	155 Å²	155	133.9 Å²	133.9	72%	0.724	76%	0.76	S	S	*	*			trans	-169.6	161.5	150.6	-84.8	-141.3	144.8	0	0	106.8
434	K	36.3	Very low	30.8	Very low	156 Å²	156	129.6 Å²	129.6	68%	0.678	75%	0.754	S	S	*	*			cis	-160.5	163.6	-11.5	-103.8	-178.3	178.7	127.2	0	105
435	S	30.9	Very low	30.8	Very low	91 Å²	91	130.3 Å²	130.3	64%	0.636	76%	0.761	S	S	*	*			cis	122.5	144.7	2.9	82.7	0	0	0	0	111.9
436	P	41.1	Very low	30.5	Very low	114 Å²	114	128.5 Å²	128.5	74%	0.74	77%	0.767	S	S	*	*			cis	-140.7	-150.3	-45.2	38.6	-18.1	0	0	0	112.1
437	V	32.2	Very low	30.4	Very low	122 Å²	122	127.6 Å²	127.6	74%	0.739	77%	0.766	S	S	*	*			trans	81.7	115.2	172.3	-171.3	0	0	0	0	115.1
438	M	29.5	Very low	30.2	Very low	160 Å²	160	131.2 Å²	131.2	79%	0.788	77%	0.767	S	S	*	*			cis	-158	-163.8	-15	-124.2	-165.9	-64.8	0	0	107.2
439	V	31	Very low	30.3	Very low	125 Å²	125	126.4 Å²	126.4	76%	0.758	77%	0.766	S	S	*	*			cis	-143.3	-138.7	17.7	-150.4	0	0	0	0	110.6
440	T	30.7	Very low	30.3	Very low	117 Å²	117	128.6 Å²	128.6	72%	0.718	77%	0.769	S	S	*	*			trans	-72	147.4	174.8	42.3	0	0	0	0	114.3
441	S	24.2	Very low	30.4	Very low	107 Å²	107	128.5 Å²	128.5	75%	0.748	77%	0.77	S	S	*	*				70.3	136.1	55.1	-49.4	0	0	0	0	112.8
442	T	30	Very low	30.4	Very low	141 Å²	141	130.1 Å²	130.1	87%	0.865	77%	0.77	S	S	*	*			cis	-140	173.2	29.8	49.4	0	0	0	0	115.1
443	T	23.8	Very low	30	Very low	131 Å²	131	134.8 Å²	134.8	80%	0.804	77%	0.774	S	S	*	*			trans	-81	142.7	174.9	47.1	0	0	0	0	114.5
444	S	24.5	Very low	30	Very low	109 Å²	109	133.2 Å²	133.2	76%	0.762	78%	0.775	S	S	*	*				164.4	174.8	120	53.2	0	0	0	0	112.9
445	I	28.9	Very low	29.7	Very low	163 Å²	163	130.5 Å²	130.5	84%	0.836	78%	0.776	S	S	*	*			trans	83	136.1	174.2	-50.8	173.2	0	0	0	115.5
446	S	24	Very low	29.5	Very low	109 Å²	109	135.8 Å²	135.8	76%	0.762	79%	0.788	S	S	*	*			trans	-85	158.2	179	47.2	0	0	0	0	113.1
447	S	28.1	Very low	29	Very low	115 Å²	115	138.5 Å²	138.5	80%	0.804	79%	0.794	S	S	*	*			trans	-148.5	129.5	170	59.8	0	0	0	0	112.4
448	D	25.6	Very low	28.9	Very low	154 Å²	154	138.7 Å²	138.7	82%	0.824	80%	0.801	S	S	*	*			trans	-65.5	155	168.5	-53.7	-88.8	0	0	0	112.3	N450	D448-N450 PolarHBondContact O-N 2.71Å
449	A	34.2	Very low	28.7	Very low	104 Å²	104	133.7 Å²	133.7	86%	0.86	79%	0.79	S	S	*	*			trans	-92.5	66.7	178.7	0	0	0	0	0	112.3
450	N	27.9	Very low	28.7	Very low	149 Å²	149	134.6 Å²	134.6	80%	0.797	79%	0.791	S	S	*	*			trans	-69.2	141.8	158.5	-82.2	-23.2	0	0	0	109.3	D448	D448-N450 PolarHBondContact O-N 2.71Å
451	N	35.1	Very low	28.6	Very low	149 Å²	149	135.8 Å²	135.8	80%	0.797	79%	0.793	S	S	*	*			trans	-134.2	55.4	-178.1	-140.7	5.4	0	0	0	111.6
452	D	30.2	Very low	28.7	Very low	142 Å²	142	137.8 Å²	137.8	76%	0.759	80%	0.795	S	S	*	*			trans	-73.3	128	164	-94.5	-45.1	0	0	0	109.9
453	Y	31.1	Very low	28.6	Very low	218 Å²	218	137.8 Å²	137.8	86%	0.855	79%	0.79	S	S	*	*			trans	-136.5	90	169.3	-113.9	-75.5	0	0	0	110.3
454	T	31.2	Very low	28.9	Very low	121 Å²	121	138.5 Å²	138.5	74%	0.742	79%	0.789	S	S	*	*			trans	-119.9	120	173.7	58	0	0	0	0	111.4
455	S	30.1	Very low	28.9	Very low	100 Å²	100	144.6 Å²	144.6	70%	0.699	80%	0.795	S	S	*	*			trans	167	123.7	131	48.1	0	0	0	0	111.2
456	F	25.5	Very low	28.8	Very low	201 Å²	201	144.7 Å²	144.7	88%	0.882	79%	0.794	S	S	*	*				178.8	91.6	123.3	-95.9	-59.7	0	0	0	110.7
457	I	31.6	Very low	28.9	Very low	172 Å²	172	146.8 Å²	146.8	88%	0.882	79%	0.792	S	S	*	*			trans	-169.7	142.2	140.1	-99.6	156	0	0	0	106.5
458	S	28.8	Very low	29	Very low	125 Å²	125	149.3 Å²	149.3	87%	0.874	79%	0.788	S	S	*	*			trans	-150.7	146.5	-176.9	-175	0	0	0	0	110.7
459	G	27.1	Very low	29	Very low	55 Å²	55	150.4 Å²	150.4	57%	0.567	79%	0.789	S	S	*	*			trans	73.3	140.3	-170.3	0	0	0	0	0	112.6
460	N	30	Very low	28.8	Very low	145 Å²	145	151.9 Å²	151.9	78%	0.775	79%	0.786	S	S	*	*			cis	-149.8	163.8	3.8	-81.7	-13	0	0	0	106.7
461	N	29.6	Very low	29	Very low	141 Å²	141	149 Å²	149	75%	0.754	78%	0.778	S	S	*	*			cis	-158.3	162.2	-12.2	-107.8	-14.1	0	0	0	107.5
462	N	25.5	Very low	28.8	Very low	149 Å²	149	148.3 Å²	148.3	80%	0.797	77%	0.774	S	S	*	*			trans	-111.1	162.6	170.1	-102	-23.3	0	0	0	111.9
463	N	27.5	Very low	28.9	Very low	141 Å²	141	148.4 Å²	148.4	75%	0.754	78%	0.775	S	S	*	*			trans	88.5	151.6	162	-56.5	-28.7	0	0	0	120.1
464	N	29.9	Very low	28.9	Very low	146 Å²	146	144.9 Å²	144.9	78%	0.781	77%	0.769	S	S	*	*			trans	74.4	116.7	-179.8	-51.4	-18.4	0	0	0	113.4
465	R	24.4	Very low	28.8	Very low	237 Å²	237	147 Å²	147	89%	0.894	77%	0.773	S	S	*	*			cis	55.7	66.6	19.4	-159.8	-169.3	176.6	180	-0.6	114.3
466	M	28.6	Very low	28.8	Very low	166 Å²	166	150.4 Å²	150.4	82%	0.818	78%	0.775	S	S	*	*				-156.5	167.8	128.9	-115	173.2	-70.2	0	0	111.2
467	E	24.4	Very low	28.9	Very low	153 Å²	153	148.3 Å²	148.3	72%	0.715	77%	0.77	S	S	*	*			trans	-38.3	156.1	169.5	-66	159.4	-147.2	0	0	113.8
468	K	30.4	Very low	28.7	Very low	168 Å²	168	145.6 Å²	145.6	73%	0.73	76%	0.762	S	S	*	*			cis	-161.2	175.5	49.5	-148.6	145.6	-171.6	147.7	0	115.1
469	E	27	Very low	28.7	Very low	177 Å²	177	145.9 Å²	145.9	83%	0.827	76%	0.757	S	S	*	*			trans	-65.1	160.4	-178.4	-57.9	164.5	109.2	0	0	114.1
470	V	30.1	Very low	29.2	Very low	134 Å²	134	147.9 Å²	147.9	81%	0.812	76%	0.76	S	S	*	*			trans	-119.8	123.8	167	177.1	0	0	0	0	108.9
471	S	30.1	Very low	29.1	Very low	90 Å²	90	147.5 Å²	147.5	63%	0.629	76%	0.763	S	S	*	*			trans	155.5	107.9	138.3	-70.1	0	0	0	0	112.4
472	D	31.4	Very low	29	Very low	133 Å²	133	145.4 Å²	145.4	71%	0.711	76%	0.76	S	S	*	*				175.5	177.4	108.5	-87.9	-21.8	0	0	0	111.4	K1159	D472-K1159 IonicContact OD1-NZ 2.78Å; D472-K1159 IonicContact OD2-NZ 3.85Å; D472-K1159 PolarHBondContact OD2-NZ 3.06Å
473	N	32.8	Very low	29.1	Very low	145 Å²	145	142.9 Å²	142.9	78%	0.775	75%	0.754	S	S	*	*			trans	-131.6	149.1	-148.4	-120.8	-30	0	0	0	114.6
474	I	30.2	Very low	29.3	Very low	143 Å²	143	147.2 Å²	147.2	73%	0.733	76%	0.761	S	S	*	*			trans	63.4	116.3	151.3	-59	160.6	0	0	0	118.3
475	M	29.6	Very low	29.2	Very low	167 Å²	167	145 Å²	145	82%	0.823	76%	0.757	S	S	*	*				-162.6	152.3	114.9	-100.9	-153.7	-167.3	0	0	115
476	K	30.1	Very low	29.3	Very low	171 Å²	171	138.9 Å²	138.9	74%	0.743	75%	0.75	S	S	*	*			trans	-12.5	156.2	153.4	-66.3	173.6	178.1	176.6	0	117.8
477	M	27.4	Very low	29.2	Very low	157 Å²	157	135.3 Å²	135.3	77%	0.773	74%	0.742	S	S	*	*			cis	-167.1	164.2	23.7	-139	159.2	69.5	0	0	115.2
478	T	28.7	Very low	29.5	Very low	115 Å²	115	134.2 Å²	134.2	71%	0.706	75%	0.746	S	S	*	*			trans	83	144.2	149.2	-47	0	0	0	0	120.1
479	V	27.7	Very low	29.4	Very low	130 Å²	130	131.8 Å²	131.8	79%	0.788	75%	0.745	S	S	*	*			trans	-129.8	-160	-172.6	-128.4	0	0	0	0	107
480	P	38.6	Very low	29.5	Very low	97 Å²	97	129.6 Å²	129.6	63%	0.63	74%	0.744	S	S	*	*			cis	-134.3	-166.5	-24.9	26	0.1	0	0	0	112.8
481	V	28	Very low	29.5	Very low	137 Å²	137	128.3 Å²	128.3	83%	0.83	74%	0.741	S	S	*	*			trans	40	155.8	151.1	-65.4	0	0	0	0	121.6
482	S	27.3	Very low	29.5	Very low	98 Å²	98	131.1 Å²	131.1	69%	0.685	75%	0.748	S	S	*	*			cis	-148.6	156.5	24	-179.4	0	0	0	0	113.2
483	S	27.6	Very low	29.6	Very low	96 Å²	96	133 Å²	133	67%	0.671	75%	0.753	S	S	*	*			trans	-60.1	156.1	164	52.7	0	0	0	0	114.5
484	Y	31.3	Very low	29.9	Very low	232 Å²	232	131.8 Å²	131.8	91%	0.91	75%	0.753	S	S	*	*			trans	-143.9	166.4	133.9	-99	-69.7	0	0	0	111
485	S	27.2	Very low	29.9	Very low	100 Å²	100	129 Å²	129	70%	0.699	76%	0.76	S	S	*	*			trans	-142.2	-170.8	-151.2	66.3	0	0	0	0	115
486	S	27.1	Very low	29.9	Very low	107 Å²	107	127.1 Å²	127.1	75%	0.748	76%	0.763	S	S	*	*			trans	89.9	151.1	163.2	-69.7	0	0	0	0	119.3
487	S	26.4	Very low	30	Very low	92 Å²	92	123.6 Å²	123.6	64%	0.643	77%	0.765	S	S	*	*			cis	-172.2	178.3	-18.5	-95.6	0	0	0	0	111.3
488	T	29.6	Very low	30.2	Very low	129 Å²	129	124.4 Å²	124.4	79%	0.791	77%	0.772	S	S	*	*			trans	71.7	142.1	154.2	57.9	0	0	0	0	119.8
489	T	28.3	Very low	30.3	Very low	117 Å²	117	130.3 Å²	130.3	72%	0.718	78%	0.781	S	S	*	*			cis	-162.8	163.3	-4.6	12.5	0	0	0	0	114.6
490	T	30.6	Very low	30.5	Very low	132 Å²	132	132.3 Å²	132.3	81%	0.81	78%	0.782	S	S	*	*			trans	67.5	115.5	149.8	44.8	0	0	0	0	123.5
491	S	29.2	Very low	30	Very low	107 Å²	107	133.1 Å²	133.1	75%	0.748	79%	0.79	S	S	*	*				147.3	126.8	109.6	-158.1	0	0	0	0	117.3
492	L	30.2	Very low	30.1	Very low	149 Å²	149	132 Å²	132	78%	0.78	79%	0.788	S	S	*	*			trans	67.1	106	154.1	-69.4	166.5	0	0	0	125.3
493	Q	33.6	Very low	30.2	Very low	173 Å²	173	135.3 Å²	135.3	81%	0.808	80%	0.797	S	S	*	*				63.9	157.7	129.3	-87.6	-156.9	-26.4	0	0	123.3
494	P	38.9	Very low	30.4	Very low	119 Å²	119	134.3 Å²	134.3	77%	0.773	79%	0.79	S	S	*	*				-140.4	160.2	-61.9	36.3	-16	0	0	0	116.4
495	G	31.3	Very low	30.6	Very low	85 Å²	85	127.5 Å²	127.5	88%	0.876	77%	0.774	S	S	*	*			trans	168.9	137.4	165.5	0	0	0	0	0	115.6
496	S	29	Very low	30.5	Very low	126 Å²	126	127.3 Å²	127.3	88%	0.881	77%	0.765	S	S	*	*			trans	-105.7	171.6	-176.7	53.7	0	0	0	0	112.6
497	A	32	Very low	31.1	Very low	97 Å²	97	126.3 Å²	126.3	80%	0.802	76%	0.756	S	S	*	*			cis	-143.3	-161.7	19.7	0	0	0	0	0	114.5
498	L	32.7	Very low	31.3	Very low	175 Å²	175	129.7 Å²	129.7	92%	0.916	77%	0.765	S	S	*	*			trans	-130.1	-179.8	-143.9	-94.3	164.6	0	0	0	118.7
499	R	30.9	Very low	31.2	Very low	238 Å²	238	128.5 Å²	128.5	90%	0.898	76%	0.762	S	S	*	*			trans	-91.2	179.1	-166.7	-76.6	-174.7	169.4	-146.4	-0.2	116.3
500	H	29.9	Very low	31.6	Very low	172 Å²	172	129.8 Å²	129.8	80%	0.796	77%	0.77	S	S	*	*			trans	-65.8	154.6	-168.2	-60	-95.3	0	0	0	119.7
501	S	29.7	Very low	31.7	Very low	115 Å²	115	130.6 Å²	130.6	80%	0.804	77%	0.769	S	S	*	*			trans	73.4	114.7	138.4	61	0	0	0	0	123.2
502	S	28.5	Very low	31.9	Very low	113 Å²	113	130.6 Å²	130.6	79%	0.79	77%	0.769	S	S	*	*				179.3	160.9	118.4	47.9	0	0	0	0	114.1
503	L	29.8	Very low	32	Very low	167 Å²	167	129.6 Å²	129.6	87%	0.874	77%	0.769	S	S	*	*			trans	79.5	165.2	164	-61.7	168.4	0	0	0	121.6
504	S	32.5	Very low	32	Very low	76 Å²	76	126.6 Å²	126.6	53%	0.531	77%	0.767	S	S	.	*			trans	-151.2	154.2	-163.8	50.8	0	0	0	0	111.4	P526	S504-P526 VanDerWaalsContact CA-CB 3.48Å
505	P	36.2	Very low	32.1	Very low	88 Å²	88	128.5 Å²	128.5	57%	0.571	77%	0.771	S	S	*	*				-152.4	-160.9	63.7	41.9	-17.9	0	0	0	118.5	Q527	P505-Q527 VanDerWaalsContact CA-O 3.23Å; P505-Q527 WeakPolarHBondContact CA-O 3.39Å; P505-Q527 WeakPolarHBondContact CB-O 3.36Å
506	L	25.2	Very low	32.5	Very low	97 Å²	97	129.3 Å²	129.3	51%	0.508	76%	0.761	S	S	.	*			trans	-82.9	-166.5	-171.6	-102.8	-171	0	0	0	116.3	P526 L528	L506-P526 WeakPolarHBondContact CG-O 3.23Å; L506-L528 WeakPolarHBondContact CB-O 3.49Å
507	P	37.9	Very low	32.5	Very low	85 Å²	85	130.3 Å²	130.3	55%	0.552	76%	0.762	S	S	*	*			cis	-142.6	-164.1	-21.6	34.6	-10.8	0	0	0	117.4
508	I	31.9	Very low	32.5	Very low	163 Å²	163	130.3 Å²	130.3	84%	0.836	76%	0.756	S	S	*	*			trans	93.9	143.2	152.2	-71.8	167.9	0	0	0	121.1
509	S	27.1	Very low	32.4	Very low	104 Å²	104	127.1 Å²	127.1	73%	0.727	75%	0.748	S	S	*	*			trans	-110.8	166.1	-172.8	-40.1	0	0	0	0	115
510	T	36.6	Very low	32.6	Very low	144 Å²	144	121 Å²	121	88%	0.883	74%	0.742	S	S	*	*			trans	-135.6	175	153.8	54.6	0	0	0	0	111.2
511	N	32.8	Very low	32.7	Very low	150 Å²	150	118.8 Å²	118.8	80%	0.802	74%	0.74	S	S	*	*			trans	-111.1	164.8	-149.1	-76.6	-30.2	0	0	0	117.8
512	S	32.8	Very low	32.8	Very low	107 Å²	107	120.8 Å²	120.8	75%	0.748	74%	0.742	S	S	*	*			trans	84.7	110.2	140.5	50.7	0	0	0	0	122.4
513	V	33.3	Very low	32.8	Very low	127 Å²	127	123.3 Å²	123.3	77%	0.77	74%	0.74	S	S	*	*			trans	71.1	96	132.6	-174.4	0	0	0	0	118.3
514	S	33.5	Very low	32.9	Very low	110 Å²	110	122.5 Å²	122.5	77%	0.769	74%	0.736	S	S	*	*				-177.4	29.2	123.5	34.9	0	0	0	0	112.2	P516	S514-P516 WeakPolarHBondContact O-CD 3.34Å
515	D	41.5	Very low	33	Very low	160 Å²	160	124.4 Å²	124.4	86%	0.856	74%	0.741	S	S	*	*			trans	25.5	80.9	177.3	-64.8	15.7	0	0	0	119.4
516	P	38.4	Very low	32.8	Very low	102 Å²	102	122.7 Å²	122.7	66%	0.662	73%	0.729	S	S	*	*			trans	-126.2	120.9	152.5	33.4	-17.1	0	0	0	111.7	S514	S514-P516 WeakPolarHBondContact O-CD 3.34Å
517	T	29.1	Very low	33.1	Very low	146 Å²	146	123.7 Å²	123.7	90%	0.896	73%	0.732	S	S	*	*			trans	-166.3	136.5	143.1	5.5	0	0	0	0	114.8
518	S	33.2	Very low	32.6	Very low	98 Å²	98	125.1 Å²	125.1	69%	0.685	73%	0.734	S	S	*	*			trans	-49.6	142.1	161.3	38.4	0	0	0	0	112.9
519	S	29.9	Very low	32.6	Very low	108 Å²	108	122.8 Å²	122.8	76%	0.755	72%	0.722	S	S	*	*				63.4	118.5	70.7	-47.8	0	0	0	0	115.8
520	S	33.8	Very low	32.7	Very low	108 Å²	108	126.1 Å²	126.1	76%	0.755	73%	0.726	S	S	*	*			trans	82.5	123.8	149.7	-54.7	0	0	0	0	122.4
521	T	32.5	Very low	32.4	Very low	126 Å²	126	123.4 Å²	123.4	77%	0.773	71%	0.713	S	S	*	*			trans	74.2	111.9	139.4	47.4	0	0	0	0	123.9
522	L	31.4	Very low	32.2	Very low	158 Å²	158	123.3 Å²	123.3	83%	0.827	71%	0.708	S	S	*	*			trans	83.4	95.1	132.3	-62.5	175.9	0	0	0	123.6
523	H	30.5	Very low	32.1	Very low	165 Å²	165	123.8 Å²	123.8	76%	0.764	70%	0.702	S	S	*	*				97.3	131.8	115.3	-147.8	59.8	0	0	0	122.3
524	L	30.4	Very low	31.9	Very low	150 Å²	150	124.3 Å²	124.3	79%	0.785	70%	0.699	S	S	*	*			trans	73.9	158.4	172.1	-71.1	166.1	0	0	0	119.4
525	N	35.4	Very low	31.7	Very low	117 Å²	117	124.4 Å²	124.4	63%	0.626	70%	0.695	S	S	*	*			trans	-154.5	152.8	-142.8	-171.4	41.4	0	0	0	112
526	P	32.6	Very low	31.2	Very low	52 Å²	52	122.7 Å²	122.7	34%	0.338	69%	0.686	S	S	.	*			trans	-143.3	159.1	147.2	34.6	-17.3	0	0	0	117.5	S504 L506	S504-P526 VanDerWaalsContact CA-CB 3.48Å; L506-P526 WeakPolarHBondContact CG-O 3.23Å
527	Q	29.6	Very low	30.8	Very low	118 Å²	118	124.6 Å²	124.6	55%	0.551	69%	0.686	S	S	*	*			trans	-118.6	167.7	-179.8	-67.9	166.9	-110.1	0	0	110.3	P505	P505-Q527 VanDerWaalsContact CA-O 3.23Å; P505-Q527 WeakPolarHBondContact CA-O 3.39Å; P505-Q527 WeakPolarHBondContact CB-O 3.36Å
528	L	29	Very low	30.8	Very low	114 Å²	114	125.7 Å²	125.7	60%	0.597	68%	0.678	S	S	*	*			cis	-149.4	-138.2	9.9	-142.5	171.7	0	0	0	108.3	L506	L506-L528 WeakPolarHBondContact CB-O 3.49Å
529	I	31.6	Very low	30.4	Very low	114 Å²	114	130.7 Å²	130.7	59%	0.585	68%	0.683	S	S	*	*			trans	82.3	126.9	162.1	-50.9	178.1	0	0	0	114.9
530	E	28.6	Very low	30.3	Very low	174 Å²	174	133.8 Å²	133.8	81%	0.813	69%	0.686	S	S	*	*			cis	-143.7	156.5	8.8	-134.8	132	-135.6	0	0	107.3
531	S	30	Very low	30.1	Very low	87 Å²	87	133.3 Å²	133.3	61%	0.608	68%	0.682	S	S	*	*			cis	-157.4	-162	-9.7	52.6	0	0	0	0	107.6
532	E	30.2	Very low	30	Very low	149 Å²	149	133.8 Å²	133.8	70%	0.696	68%	0.68	S	S	*	*			cis	-164.4	178.6	3.2	-141.5	160.9	-68.1	0	0	112.3
533	N	28.9	Very low	29.8	Very low	117 Å²	117	132.6 Å²	132.6	63%	0.626	68%	0.675	S	S	*	*			trans	51.8	109.3	150.7	-70.7	-35.1	0	0	0	124.1
534	I	30.8	Very low	29.7	Very low	137 Å²	137	132.4 Å²	132.4	70%	0.703	68%	0.678	S	S	*	*				92.7	89.5	121.4	-65.4	171.1	0	0	0	119.6
535	T	29.3	Very low	29.7	Very low	113 Å²	113	134.8 Å²	134.8	69%	0.693	68%	0.677	S	S	*	*				80.5	123.6	110.7	-51.2	0	0	0	0	122.7
536	D	30	Very low	29.3	Very low	123 Å²	123	136.2 Å²	136.2	66%	0.658	68%	0.68	S	S	*	*			trans	76.5	123.7	145.4	-79	11.6	0	0	0	126.9
537	Q	29.4	Very low	29.2	Very low	142 Å²	142	138.9 Å²	138.9	66%	0.664	70%	0.7	S	S	*	*				73.2	120.4	127.3	-68.2	-172	65.5	0	0	124
538	K	29.3	Very low	29.3	Very low	169 Å²	169	140.7 Å²	140.7	74%	0.735	71%	0.712	S	S	*	*			trans	71.4	146.9	135.2	-77.6	-168.5	170.4	-177.3	0	121
539	Y	26	Very low	29.4	Very low	203 Å²	203	140.7 Å²	140.7	80%	0.796	72%	0.717	S	S	*	*			trans	12.6	138.9	152.7	-62.6	-97.8	0	0	0	118.3
540	E	28.1	Very low	29.3	Very low	173 Å²	173	141.4 Å²	141.4	81%	0.808	72%	0.722	S	S	*	*			cis	-156.7	-167.9	43.9	-151.6	156.2	-138.8	0	0	112.9
541	S	27.7	Very low	29.5	Very low	98 Å²	98	141.4 Å²	141.4	69%	0.685	72%	0.719	S	S	*	*			trans	-58.5	155.1	172.3	32.1	0	0	0	0	112.6
542	D	30.4	Very low	29.6	Very low	137 Å²	137	144.9 Å²	144.9	73%	0.733	73%	0.726	S	S	*	*				-164.9	169.2	63	-134.2	-32.9	0	0	0	117
543	N	27.1	Very low	29.7	Very low	132 Å²	132	146.1 Å²	146.1	71%	0.706	73%	0.728	S	S	*	*			trans	-15	139.6	170	-82.6	-83.5	0	0	0	120.7
544	L	30	Very low	29.6	Very low	161 Å²	161	147 Å²	147	84%	0.843	74%	0.738	S	S	*	*				-173.4	125.9	106.9	-100.4	164.5	0	0	0	116.6
545	R	29.6	Very low	29.6	Very low	200 Å²	200	144.2 Å²	144.2	76%	0.755	74%	0.744	S	S	*	*			trans	92.9	107.9	130.9	-155.3	164.5	-170.8	172.3	6.1	123.4
546	E	26.5	Very low	29.7	Very low	147 Å²	147	146.3 Å²	146.3	69%	0.687	75%	0.749	S	S	*	*			trans	45.3	120.5	142.2	-58.2	177.3	124.6	0	0	120.5
547	S	31.8	Very low	29.6	Very low	109 Å²	109	146.9 Å²	146.9	76%	0.762	76%	0.756	S	S	*	*				-170.5	121.3	84.1	-74.1	0	0	0	0	117.2
548	I	31.6	Very low	29.4	Very low	155 Å²	155	144.9 Å²	144.9	80%	0.795	76%	0.758	S	S	*	*			trans	42	137.2	137.7	-18.6	-178.1	0	0	0	123.7
549	T	29.5	Very low	29.3	Very low	115 Å²	115	144.5 Å²	144.5	71%	0.706	76%	0.763	S	S	*	*			trans	86.5	114.2	160.3	75.1	0	0	0	0	117.8
550	N	29.5	Very low	29.3	Very low	129 Å²	129	142.3 Å²	142.3	69%	0.69	76%	0.763	S	S	*	*				-178.3	147.2	78.4	-107.2	-79.3	0	0	0	115
551	K	33.5	Very low	29.2	Very low	174 Å²	174	139.4 Å²	139.4	76%	0.757	76%	0.762	S	S	*	*			trans	68.1	159.4	159.4	-56.2	163.9	-174.9	173.7	0	116.3
552	H	32	Very low	29.3	Very low	160 Å²	160	140 Å²	140	74%	0.741	77%	0.772	S	S	*	*			cis	-145.4	148.9	19.7	-114.6	-71.8	0	0	0	115.1
553	K	32.6	Very low	29.1	Very low	174 Å²	174	139.1 Å²	139.1	76%	0.757	78%	0.777	S	S	*	*			trans	29.5	125.5	146.4	-83.6	-167	172.7	-171.7	0	124
554	T	27.6	Very low	29.3	Very low	136 Å²	136	140.9 Å²	140.9	83%	0.834	78%	0.781	S	S	*	*			trans	56.5	123.6	133.6	61.5	0	0	0	0	122.4
555	G	29.6	Very low	29.3	Very low	79 Å²	79	138.2 Å²	138.2	81%	0.814	77%	0.768	S	S	*	*			trans	-153.8	160	163.8	0	0	0	0	0	111.3
556	I	32.1	Very low	29.3	Very low	156 Å²	156	137.4 Å²	137.4	80%	0.8	77%	0.77	S	S	*	*			trans	-112.2	149.7	-166.4	-77.9	170.4	0	0	0	112.8
557	V	27.6	Very low	29.3	Very low	135 Å²	135	138.1 Å²	138.1	82%	0.818	77%	0.773	S	S	*	*			trans	-59.5	136.4	170.4	173	0	0	0	0	110.4
558	S	25.3	Very low	29.4	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	77%	0.771	S	S	*	*			cis	-153.5	162.4	18.1	-146.8	0	0	0	0	110.6
559	I	27.9	Very low	29.3	Very low	162 Å²	162	137.7 Å²	137.7	83%	0.831	77%	0.768	S	S	*	*			trans	-179.8	142.9	131.6	-94.4	156	0	0	0	111.3
560	I	26.6	Very low	29.5	Very low	156 Å²	156	139.3 Å²	139.3	80%	0.8	77%	0.772	S	S	*	*			trans	-45.6	148.6	176.6	-63.6	152.3	0	0	0	114.2
561	S	25.3	Very low	29.5	Very low	112 Å²	112	140 Å²	140	78%	0.783	77%	0.771	S	S	*	*			trans	-149.1	158.6	161.6	-82.4	0	0	0	0	112.5
562	A	30.1	Very low	29.5	Very low	110 Å²	110	139.6 Å²	139.6	91%	0.909	77%	0.77	S	S	*	*			trans	63	80.3	173.9	0	0	0	0	0	117.7
563	S	26.3	Very low	29.5	Very low	119 Å²	119	137.5 Å²	137.5	83%	0.832	77%	0.773	S	S	*	*			trans	-117.3	127.8	154.6	176.7	0	0	0	0	110.6
564	Q	31.5	Very low	29.3	Very low	169 Å²	169	137.7 Å²	137.7	79%	0.79	78%	0.777	S	S	*	*			trans	-163.2	149.1	169.5	-69.6	-156.8	32.5	0	0	106.7
565	N	28.2	Very low	29.3	Very low	106 Å²	106	136.6 Å²	136.6	57%	0.567	77%	0.77	S	S	*	*			cis	-168.4	149	-12.1	-103	-46.1	0	0	0	105.3
566	K	30.7	Very low	29.1	Very low	183 Å²	183	140.5 Å²	140.5	80%	0.796	77%	0.77	S	S	*	*			cis	-162.1	-179.8	-6.2	-139.1	-178.5	-160.6	86.1	0	109.9
567	H	25.9	Very low	29	Very low	162 Å²	162	139.7 Å²	139.7	75%	0.75	77%	0.773	S	S	*	*			trans	-69.6	171.8	167.9	-93.7	-74.9	0	0	0	113.1
568	P	35	Very low	29.2	Very low	112 Å²	112	140.9 Å²	140.9	73%	0.727	77%	0.769	S	S	*	*			cis	-127.6	148.5	28.5	19.3	6.8	0	0	0	117.1
569	I	29.5	Very low	29.2	Very low	142 Å²	142	141.7 Å²	141.7	73%	0.728	77%	0.765	S	S	*	*				64.8	118.2	89.4	-50.5	164.9	0	0	0	114.7
570	D	31.9	Very low	29.3	Very low	149 Å²	149	142 Å²	142	80%	0.797	77%	0.769	S	S	*	*			trans	-148.8	165	141.6	-136.5	-23	0	0	0	111.2
571	E	30.4	Very low	29.5	Very low	143 Å²	143	139.9 Å²	139.9	67%	0.668	76%	0.763	S	S	*	*			trans	-57.5	156	-166.8	-56.7	179	137.7	0	0	116.3
572	K	34.4	Very low	30.2	Very low	167 Å²	167	140.8 Å²	140.8	73%	0.726	77%	0.766	S	S	*	*				-167.9	139.9	51.8	-127.3	123.4	-174.2	156.9	0	115.7
573	S	31.9	Very low	30.1	Very low	116 Å²	116	142.6 Å²	142.6	81%	0.811	76%	0.761	S	S	*	*			trans	61.5	142.5	141.4	-58.1	0	0	0	0	124.5
574	Q	28.4	Very low	30.4	Very low	177 Å²	177	145 Å²	145	83%	0.827	76%	0.756	S	S	*	*			trans	-127.3	161.1	171.2	-79	-174.4	-18.2	0	0	112.5
575	T	26.2	Very low	30.2	Very low	113 Å²	113	143.8 Å²	143.8	69%	0.693	75%	0.751	S	S	*	*			trans	60.3	113.8	148.7	49.8	0	0	0	0	123.8
576	I	26.3	Very low	30.3	Very low	161 Å²	161	146 Å²	146	83%	0.826	76%	0.762	S	S	*	*				61.7	107.2	123.1	-55.8	168.9	0	0	0	120.1
577	V	30.4	Very low	30.2	Very low	140 Å²	140	142.7 Å²	142.7	85%	0.848	76%	0.761	S	S	*	*			trans	-166.6	140.7	152.2	125.6	0	0	0	0	107.3
578	H	30.3	Very low	30.4	Very low	159 Å²	159	141.3 Å²	141.3	74%	0.736	77%	0.765	S	S	*	*			cis	-150.7	-175.8	-13.8	-167.4	66.9	0	0	0	109.8
579	N	26.2	Very low	30	Very low	117 Å²	117	141 Å²	141	63%	0.626	77%	0.765	S	S	*	*			trans	-63.3	151.3	-179.2	-63.4	-50.4	0	0	0	115.8
580	N	30.2	Very low	30.1	Very low	169 Å²	169	138.4 Å²	138.4	90%	0.904	76%	0.76	S	S	*	*			trans	-161.8	132.4	130.2	-107	-23.5	0	0	0	111.8
581	T	30.4	Very low	29.9	Very low	112 Å²	112	137.8 Å²	137.8	69%	0.687	76%	0.761	S	S	*	*			trans	-123.9	153.6	173.2	-7.6	0	0	0	0	109.4
582	P	39.6	Very low	29.8	Very low	130 Å²	130	134.5 Å²	134.5	84%	0.844	76%	0.759	S	S	*	*				-133.3	146.4	122.3	36.3	-28.4	0	0	0	112.9
583	N	27.8	Very low	29.4	Very low	149 Å²	149	133.3 Å²	133.3	80%	0.797	77%	0.766	S	S	*	*			trans	-81.8	152.1	176.8	-67.2	-32.9	0	0	0	111.9
584	K	32.7	Very low	29.3	Very low	168 Å²	168	131.3 Å²	131.3	73%	0.73	76%	0.756	S	S	*	*			trans	-148.4	130.6	140	-132.6	-171.1	177.4	-158.1	0	112.3
585	E	28.3	Very low	29.3	Very low	145 Å²	145	129.2 Å²	129.2	68%	0.678	76%	0.756	S	S	*	*			trans	24.6	146.7	142.1	-70.1	154.4	-138.2	0	0	121.4
586	L	29	Very low	29.4	Very low	153 Å²	153	129.4 Å²	129.4	80%	0.801	76%	0.756	S	S	*	*			cis	-173.9	160.8	-18.7	-157.4	73.9	0	0	0	107.8
587	S	30.3	Very low	29.6	Very low	112 Å²	112	127 Å²	127	78%	0.783	75%	0.749	S	S	*	*			trans	67.9	157.6	168.4	82.4	0	0	0	0	116.3
588	T	29.8	Very low	29.6	Very low	134 Å²	134	125.7 Å²	125.7	82%	0.822	74%	0.742	S	S	*	*			cis	-122.6	163.6	0.6	50.3	0	0	0	0	111.9
589	S	26.9	Very low	29.6	Very low	104 Å²	104	124.5 Å²	124.5	73%	0.727	75%	0.746	S	S	*	*			trans	-118.3	163.4	174.6	62.7	0	0	0	0	112.7
590	S	30.2	Very low	29.8	Very low	89 Å²	89	122.5 Å²	122.5	62%	0.622	75%	0.746	S	S	*	*			trans	65.2	120.5	140	59.8	0	0	0	0	121.9
591	T	27.8	Very low	29.7	Very low	135 Å²	135	121 Å²	121	83%	0.828	74%	0.743	S	S	*	*			trans	68.7	150.3	133.7	55.7	0	0	0	0	120.8
592	A	28.4	Very low	29.8	Very low	74 Å²	74	120.1 Å²	120.1	61%	0.612	74%	0.741	S	S	*	*			cis	-173.3	167.5	-18.1	0	0	0	0	0	110.7
593	T	27.2	Very low	29.5	Very low	143 Å²	143	120.6 Å²	120.6	88%	0.877	74%	0.737	S	S	*	*			trans	59.4	151.5	154.6	47.8	0	0	0	0	120.2
594	A	28.7	Very low	29.9	Very low	73 Å²	73	119.4 Å²	119.4	60%	0.603	74%	0.735	S	S	*	*			cis	-170.2	161.7	-20.3	0	0	0	0	0	110.4
595	T	28.3	Very low	30.3	Very low	134 Å²	134	116.5 Å²	116.5	82%	0.822	73%	0.734	S	S	*	*			trans	62.3	168.4	163.1	56.1	0	0	0	0	118.3
596	T	29.8	Very low	30.4	Very low	116 Å²	116	117.9 Å²	117.9	71%	0.712	75%	0.745	S	S	*	*			cis	-163.6	-176.6	-34.4	44.1	0	0	0	0	106.9
597	T	29.3	Very low	30.4	Very low	110 Å²	110	113.5 Å²	113.5	68%	0.675	74%	0.736	S	S	*	*			cis	-161.2	164.8	4.5	-9.5	0	0	0	0	111.3
598	T	30.9	Very low	30.7	Very low	113 Å²	113	115.8 Å²	115.8	69%	0.693	75%	0.745	S	S	*	*			trans	64.3	130.8	147.6	47.1	0	0	0	0	125
599	T	29.6	Very low	30.8	Very low	134 Å²	134	112.7 Å²	112.7	82%	0.822	74%	0.741	S	S	*	*			trans	70	146.2	142.4	53.5	0	0	0	0	121.5
600	A	29.9	Very low	31.2	Very low	75 Å²	75	119.8 Å²	119.8	62%	0.62	75%	0.751	S	S	*	*			cis	-172.3	167.6	-18.1	0	0	0	0	0	112.8
601	T	28.7	Very low	31.5	Very low	139 Å²	139	120.1 Å²	120.1	85%	0.853	75%	0.754	S	S	*	*			trans	67.7	150.4	158.2	38.1	0	0	0	0	119.7
602	S	32.7	Very low	31.9	Very low	92 Å²	92	120.4 Å²	120.4	64%	0.643	75%	0.749	S	S	*	*			cis	-166.6	173	1.3	39.1	0	0	0	0	114.1
603	N	34.2	Very low	32.2	Very low	140 Å²	140	122 Å²	122	75%	0.749	75%	0.751	S	S	*	*			trans	105.8	112.5	160.9	-54.5	-17	0	0	0	116.2
604	T	34.7	Very low	32.4	Very low	125 Å²	125	123.2 Å²	123.2	77%	0.767	74%	0.744	S	S	*	*			cis	95.1	150.6	38.1	59.5	0	0	0	0	114.7
605	P	40.7	Very low	32.3	Very low	107 Å²	107	127.7 Å²	127.7	70%	0.695	76%	0.756	S	S	*	*			cis	-144.2	-166.1	-23.1	36.2	-12.7	0	0	0	116.3
606	L	30.5	Very low	32.5	Very low	174 Å²	174	128 Å²	128	91%	0.911	75%	0.751	S	S	*	*			trans	72.3	146.5	172.7	-83.9	71.1	0	0	0	118.4
607	G	30.9	Very low	32.4	Very low	60 Å²	60	126.5 Å²	126.5	62%	0.619	75%	0.75	S	S	*	*			cis	173.5	165.4	-10.3	0	0	0	0	0	116.1
608	T	35	Very low	32.4	Very low	160 Å²	160	127.2 Å²	127.2	98%	0.982	75%	0.754	S	S	*	*			trans	89.8	136.1	170	74.3	0	0	0	0	121.6
609	G	32.6	Very low	32.4	Very low	70 Å²	70	130.9 Å²	130.9	72%	0.722	76%	0.761	S	S	*	*			trans	128.5	62.5	138.3	0	0	0	0	0	124.8
610	R	36.3	Very low	32.6	Very low	253 Å²	253	130.3 Å²	130.3	96%	0.955	76%	0.76	S	S	*	*			trans	62.3	169.2	161.9	-66	174.1	176.2	170.8	-1.9	114.8
611	S	34.7	Very low	32.4	Very low	96 Å²	96	139 Å²	139	67%	0.671	78%	0.776	S	S	*	*			cis	-169.7	155.8	-28	-88.9	0	0	0	0	107.1
612	I	37.3	Very low	32.3	Very low	140 Å²	140	143.9 Å²	143.9	72%	0.718	78%	0.779	S	S	*	*			cis	-159	140	-4.8	-113.7	166.6	0	0	0	110.8
613	T	33.4	Very low	32.1	Very low	108 Å²	108	144.3 Å²	144.3	66%	0.663	78%	0.782	S	S	*	*			trans	31.6	139.2	134.1	-23.3	0	0	0	0	120.5
614	K	33.1	Very low	31.8	Very low	169 Å²	169	145 Å²	145	74%	0.735	79%	0.786	S	S	*	*			cis	-158.1	129.5	35.6	-166.4	167.4	-78.9	176.9	0	115.2	I616	K614-I616 HydrophobicContact CD-CD1 4.43Å; K614-I616 HydrophobicContact CG-CD1 4.37Å; K614-I616 HydrophobicContact CG-CG1 4.18Å
615	I	26.4	Very low	32.1	Very low	167 Å²	167	144.1 Å²	144.1	86%	0.856	78%	0.782	S	S	*	*			trans	-130.1	138.5	146.2	-65.2	177.9	0	0	0	106.3
616	I	32.5	Very low	31.6	Very low	140 Å²	140	146.3 Å²	146.3	72%	0.718	78%	0.783	S	S	*	*			trans	-137.7	139.4	171.1	-61.7	-177.7	0	0	0	108.3	K614	K614-I616 HydrophobicContact CD-CD1 4.43Å; K614-I616 HydrophobicContact CG-CD1 4.37Å; K614-I616 HydrophobicContact CG-CG1 4.18Å
617	A	26.4	Very low	31.5	Very low	84 Å²	84	146 Å²	146	69%	0.694	77%	0.774	S	S	*	*			trans	-109	-142.7	-171.3	0	0	0	0	0	112.4
618	V	30.6	Very low	31.5	Very low	125 Å²	125	150.1 Å²	150.1	76%	0.758	78%	0.779	S	S	*	*			trans	82.3	125.3	-176.6	-170.1	0	0	0	0	111.2
619	K	29.6	Very low	31.2	Very low	190 Å²	190	148.5 Å²	148.5	83%	0.826	77%	0.765	S	S	*	*			cis	-157.3	148	23.9	-136.8	158.5	-160.6	169.7	0	111.5
620	P	34.2	Very low	31.2	Very low	123 Å²	123	151.1 Å²	151.1	80%	0.799	76%	0.762	S	S	*	*			trans	-110.9	150	163.4	36.8	-29.5	0	0	0	113.5
621	R	26.6	Very low	31.1	Very low	257 Å²	257	144.9 Å²	144.9	97%	0.97	75%	0.747	S	S	*	*			trans	-151	166	164.1	-101.1	-167.8	175.3	-142.1	-3	111.9
622	R	25.7	Very low	31.1	Very low	241 Å²	241	148.5 Å²	148.5	91%	0.909	75%	0.753	S	S	*	*			trans	-112.6	-165.3	-170.5	-70.4	179.6	165.8	179.5	-5.3	112.5
623	S	29.2	Very low	30.9	Very low	101 Å²	101	148.6 Å²	148.6	71%	0.706	75%	0.748	S	S	*	*			trans	75.4	134.7	171.8	48	0	0	0	0	117.1
624	D	28.4	Very low	30.8	Very low	156 Å²	156	150.4 Å²	150.4	83%	0.834	75%	0.75	S	S	*	*			cis	-156.6	173	-5.5	-103.6	-21.5	0	0	0	113.2
625	P	39.3	Very low	30.6	Very low	105 Å²	105	146.7 Å²	146.7	68%	0.682	75%	0.745	S	S	*	*			trans	-113.7	-159.9	-165.4	44.1	-36.8	0	0	0	115.9
626	Q	30.7	Very low	30.7	Very low	153 Å²	153	145 Å²	145	72%	0.715	74%	0.742	S	S	*	*			trans	87.6	147.7	-176.1	-54.4	-167.9	37.7	0	0	113
627	K	29.4	Very low	30.6	Very low	168 Å²	168	146.3 Å²	146.3	73%	0.73	75%	0.749	S	S	*	*			cis	-170.4	172.2	2.2	-121.9	175.6	-175.8	154.3	0	108.2
628	M	30.7	Very low	30.5	Very low	147 Å²	147	146.5 Å²	146.5	72%	0.724	75%	0.746	S	S	*	*			cis	-147.1	169.3	2.5	-57.1	-163.4	-68.1	0	0	110.8
629	N	28.3	Very low	30.6	Very low	126 Å²	126	147.5 Å²	147.5	67%	0.674	75%	0.752	S	S	*	*				42.3	150.5	129.1	-63.8	15	0	0	0	123.3
630	L	32.3	Very low	30.5	Very low	125 Å²	125	144.3 Å²	144.3	65%	0.654	74%	0.744	S	S	*	*			cis	-164.5	157.3	-6.6	-108.7	167.5	0	0	0	110.2
631	D	34.1	Very low	30.1	Very low	122 Å²	122	144.3 Å²	144.3	65%	0.652	74%	0.737	S	S	*	*			trans	56.6	155.4	154.7	-55	-35.5	0	0	0	119.6
632	E	35.9	Very low	30.3	Very low	171 Å²	171	138.1 Å²	138.1	80%	0.799	73%	0.728	S	S	*	*			cis	-123.1	138	5.8	-79	-171.4	137.1	0	0	110
633	K	32.4	Very low	30.4	Very low	142 Å²	142	133.6 Å²	133.6	62%	0.617	72%	0.717	S	S	*	*				60.1	145.9	84.3	-61.9	175.3	152.3	-72.8	0	115.4
634	E	31.7	Very low	30.4	Very low	147 Å²	147	134.7 Å²	134.7	69%	0.687	73%	0.725	S	S	*	*			cis	-172.1	159.2	-15.7	-108.2	156	-172.5	0	0	107.1
635	S	28.2	Very low	30.4	Very low	91 Å²	91	135.9 Å²	135.9	64%	0.636	72%	0.723	S	S	*	*			cis	-171.8	168.5	-29.9	57.1	0	0	0	0	110
636	V	29.2	Very low	29.9	Very low	132 Å²	132	139.3 Å²	139.3	80%	0.8	73%	0.734	S	S	*	*			trans	60.1	157.1	169.5	-79.3	0	0	0	0	118.3
637	L	30.6	Very low	29.8	Very low	166 Å²	166	136.8 Å²	136.8	87%	0.869	73%	0.734	S	S	*	*			cis	-127.8	171.7	18.1	-85.2	171.9	0	0	0	114.5
638	S	23.5	Very low	29.7	Very low	89 Å²	89	133.8 Å²	133.8	62%	0.622	73%	0.734	S	S	*	*			trans	-136.7	145.4	177.2	172.6	0	0	0	0	111.5
639	V	32.1	Very low	29.8	Very low	145 Å²	145	132.7 Å²	132.7	88%	0.879	74%	0.738	S	S	*	*			trans	-139	147.8	163.7	-177.3	0	0	0	0	108.6
640	N	28.1	Very low	29.7	Very low	123 Å²	123	130.4 Å²	130.4	66%	0.658	74%	0.737	S	S	*	*			trans	-120.6	158.5	-165.2	-65.7	-80.4	0	0	0	114.1
641	N	26	Very low	29.5	Very low	123 Å²	123	130 Å²	130	66%	0.658	74%	0.741	S	S	*	*			trans	65.1	159	157.2	-68.2	-40.6	0	0	0	116.8	Q643	N641-Q643 PolarHBondContact OD1-NE2 3.32Å
642	T	30.2	Very low	28.9	Very low	127 Å²	127	132.7 Å²	132.7	78%	0.779	75%	0.75	S	S	*	*			cis	-117.9	128.8	10.6	50.5	0	0	0	0	111.6
643	Q	27.4	Very low	28.4	Very low	146 Å²	146	130.3 Å²	130.3	68%	0.682	75%	0.747	S	S	*	*				47.9	98.6	80.1	-70.9	-164.4	37.4	0	0	115.8	N641	N641-Q643 PolarHBondContact OD1-NE2 3.32Å
644	S	29.3	Very low	28	Very low	125 Å²	125	128.9 Å²	128.9	87%	0.874	75%	0.751	S	S	*	*				-122.7	141.2	126.2	63.8	0	0	0	0	107.2
645	K	28.2	Very low	27.8	Very low	180 Å²	180	127.4 Å²	127.4	78%	0.783	75%	0.752	S	S	*	*			trans	-144.7	118.3	-165.7	-175.7	-178.7	-178.5	-178.9	0	111.2
646	L	29.3	Very low	27.8	Very low	177 Å²	177	129.4 Å²	129.4	93%	0.927	76%	0.755	S	S	*	*			trans	-138.1	120.2	165	-140.6	74.9	0	0	0	108.6
647	S	28	Very low	27.9	Very low	101 Å²	101	129.4 Å²	129.4	71%	0.706	74%	0.741	S	S	*	*			trans	-89.4	155.9	166.8	57.6	0	0	0	0	108.1
648	S	29	Very low	28.3	Very low	105 Å²	105	128.7 Å²	128.7	73%	0.734	73%	0.727	S	S	*	*			cis	175.3	177.7	40.9	41.4	0	0	0	0	108.2
649	P	31.6	Very low	29	Very low	123 Å²	123	126.4 Å²	126.4	80%	0.799	71%	0.707	S	S	*	*			cis	-115.8	-162.1	-31.4	37.4	-21.4	0	0	0	110.5
650	A	27.7	Very low	29.8	Very low	79 Å²	79	120.3 Å²	120.3	65%	0.653	67%	0.671	S	S	*	*			trans	-67	162.1	175.4	0	0	0	0	0	113
651	P	26.7	Very low	30.6	Very low	116 Å²	116	115.4 Å²	115.4	75%	0.753	65%	0.646	S	S	*	*				-111.1	156.5	89.9	33.5	-37	0	0	0	113.6	T653	P651-T653 PolarHBondContact O-N 3.24Å; P651-T653 VanDerWaalsContact O-N 3.17Å
652	E	21.7	Very low	31.7	Very low	178 Å²	178	109.8 Å²	109.8	83%	0.832	62%	0.616	S	S	*	*			trans	-71.6	104.8	173	-64.7	176.1	150.4	0	0	109.1	T654	E652-T654 VanDerWaalsContact C-N 3.26Å; E652-T654 PolarHBondContact O-N 3.1Å
653	T	25.4	Very low	32.4	Very low	122 Å²	122	106.8 Å²	106.8	75%	0.748	59%	0.593	S	S	*	*			trans	-70.2	87.8	166.8	52.8	0	0	0	0	108.6	P651 T655	P651-T653 PolarHBondContact O-N 3.24Å; P651-T653 VanDerWaalsContact O-N 3.17Å; T653-T655 PolarHBondContact O-N 3.25Å
654	T	25.1	Very low	33	Very low	112 Å²	112	101.5 Å²	101.5	69%	0.687	58%	0.575	S	S	*	*			trans	-54.2	110.4	161.9	35.5	0	0	0	0	107.6	E652 N656	E652-T654 VanDerWaalsContact C-N 3.26Å; E652-T654 PolarHBondContact O-N 3.1Å; T654-N656 PolarHBondContact O-N 3.5Å
655	T	27.2	Very low	33.6	Very low	116 Å²	116	97.8 Å²	97.8	71%	0.712	55%	0.548	S	S	*	.			trans	-74	77.9	-174.5	54.3	0	0	0	0	109.9	T653 R657	T653-T655 PolarHBondContact O-N 3.25Å; T655-R657 VanDerWaalsContact C-N 3.26Å; T655-R657 PolarHBondContact O-N 3.49Å
656	N	27.9	Very low	34	Very low	132 Å²	132	93.3 Å²	93.3	71%	0.706	54%	0.536	S	S	*	.			trans	-60.6	93.1	163.9	-78.9	-21.6	0	0	0	107.5	T654 R658	T654-N656 PolarHBondContact O-N 3.5Å; N656-R658 PolarHBondContact O-N 2.97Å
657	R	31.2	Very low	34.4	Very low	132 Å²	132	94.9 Å²	94.9	50%	0.498	54%	0.535	S	S	.	.			trans	-66.5	75	170.6	-67.4	-173.1	-179.6	-141.3	-0.3	108.5	D151 T655 I659	D151-R657 IonicContact OD1-CZ 3.91Å; D151-R657 IonicContact OD1-NH1 2.86Å; D151-R657 PolarHBondContact OD1-NH1 3.43Å; D151-R657 IonicContact OD2-CZ 3.91Å; D151-R657 IonicContact OD2-NH1 2.67Å; D151-R657 PolarHBondContact OD2-NH1 3.04Å; T655-R657 VanDerWaalsContact C-N 3.26Å; T655-R657 PolarHBondContact O-N 3.49Å; R657-I659 VanDerWaalsContact C-N 3.28Å; R657-I659 PolarHBondContact O-N 2.92Å
658	R	38.1	Very low	34.8	Very low	151 Å²	151	92.3 Å²	92.3	57%	0.57	52%	0.517	S	S	*	.			trans	-69.1	90.1	170.1	-84.8	-169.7	175.4	158.9	2.2	108.5	Q73 N656	Q73-R658 VanDerWaalsContact CD-NH1 3.33Å; N656-R658 PolarHBondContact O-N 2.97Å
659	I	39.3	Very low	35.6	Very low	41 Å²	41	92 Å²	92	21%	0.21	53%	0.53	C	S	.	.			trans	-58.9	137.9	150.5	-64.4	174.6	0	0	0	106.7	V164 V176 R657 V661	V164-I659 HydrophobicContact CB-CD1 4.17Å; V164-I659 HydrophobicContact CG1-CD1 4.25Å; V176-I659 HydrophobicContact CB-CG2 4.33Å; V176-I659 HydrophobicContact CG1-CG2 4.13Å; V176-I659 HydrophobicContact CG2-CG2 3.39Å; R657-I659 VanDerWaalsContact C-N 3.28Å; R657-I659 PolarHBondContact O-N 2.92Å; I659-V661 PolarHBondContact O-N 2.97Å
660	S	47.9	Very low	36.8	Very low	17 Å²	17	89.3 Å²	89.3	12%	0.119	51%	0.507	C	S	.	.			trans	-65.7	128.2	176.2	62.1	0	0	0	0	109.9	E144 K180 V662	E144-S660 VanDerWaalsContact OE1-CB 3.22Å; E144-S660 WeakPolarHBondContact OE1-CB 3.37Å; E144-S660 PolarHBondContact OE1-N 3.16Å; E144-S660 PolarHBondContact OE1-OG 3.47Å; E144-S660 VanDerWaalsContact OE2-CB 3.29Å; E144-S660 WeakPolarHBondContact OE2-CB 3.4Å; E144-S660 PolarHBondContact OE2-OG 3.01Å; K180-S660 VanDerWaalsContact CE-OG 3.25Å; K180-S660 WeakPolarHBondContact CE-OG 3.33Å; S660-V662 PolarHBondContact O-N 3.06Å; S660-V662 VanDerWaalsContact O-N 3.14Å
661	V	45.1	Very low	38.5	Very low	21 Å²	21	86.5 Å²	86.5	13%	0.127	48%	0.482	C	S	.	.			trans	-77.4	110.6	-168.2	-173.8	0	0	0	0	110.6	V108 R168 T169 I659 M663	V108-V661 WeakPolarHBondContact CG1-O 3.4Å; V108-V661 WeakPolarHBondContact CG2-O 3.46Å; R168-V661 HydrophobicContact CB-CG1 4.18Å; R168-V661 HydrophobicContact CG-CG1 4.28Å; T169-V661 HydrophobicContact CG2-CG1 3.5Å; T169-V661 VanDerWaalsContact CG2-CG1 3.5Å; I659-V661 PolarHBondContact O-N 2.97Å; V661-M663 HydrophobicContact CG1-CG 4.34Å; V661-M663 PolarHBondContact O-N 2.93Å; V661-M663 VanDerWaalsContact O-N 3.09Å
662	V	49.1	Very low	40.3	Very low	5 Å²	5	84.5 Å²	84.5	3%	0.03	46%	0.462	C	S	.	.			trans	-77.6	93.1	175.7	-172.2	0	0	0	0	108.9	T169 A171 V176 C179 W214 S660	T169-V662 VanDerWaalsContact CB-O 3.22Å; T169-V662 WeakPolarHBondContact CB-O 3.25Å; T169-V662 VanDerWaalsContact CG2-O 3.29Å; T169-V662 WeakPolarHBondContact CG2-O 3.35Å; T169-V662 PolarHBondContact OG1-O 3.36Å; A171-V662 HydrophobicContact CB-CB 4.2Å; V176-V662 HydrophobicContact CB-CG2 4.36Å; V176-V662 HydrophobicContact CG2-CG2 3.89Å; C179-V662 HydrophobicContact CB-CG1 4.43Å; C179-V662 WeakPolarHBondContact SG-CG2 3.34Å; W214-V662 HydrophobicContact CH2-CG1 4.11Å; W214-V662 HydrophobicContact CZ2-CG1 4.42Å; S660-V662 PolarHBondContact O-N 3.06Å; S660-V662 VanDerWaalsContact O-N 3.14Å
663	M	45.6	Very low	42.3	Very low	63 Å²	63	76.1 Å²	76.1	31%	0.31	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-78.9	151.8	174.9	-70.8	-172.6	73.2	0	0	113.1	H75 R168 T169 V661 P665	H75-M663 HydrophobicContact CB-CE 4.02Å; H75-M663 HydrophobicContact CB-SD 3.65Å; R168-M663 PolarHBondContact NH1-SD 2.88Å; T169-M663 HydrophobicContact CG2-CG 4.26Å; V661-M663 HydrophobicContact CG1-CG 4.34Å; V661-M663 PolarHBondContact O-N 2.93Å; V661-M663 VanDerWaalsContact O-N 3.09Å; M663-P665 WeakPolarHBondContact O-CD 3.21Å
664	A	39	Very low	44.2	Very low	36 Å²	36	72.7 Å²	72.7	30%	0.298	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-53.7	126.7	158.8	0	0	0	0	0	110.6	D203 T666	D203-A664 HydrophobicContact CB-CB 4.46Å; D203-A664 WeakPolarHBondContact OD2-CB 3.22Å; A664-T666 PolarHBondContact O-N 3.26Å
665	P	42.1	Very low	46.5	Very low	47 Å²	47	70.9 Å²	70.9	31%	0.305	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-63	119.6	177.1	-20.9	31.6	0	0	0	111.3	W205 H213 W214 M663	W205-P665 HydrophobicContact CH2-CG 4.19Å; H213-P665 WeakPolarHBondContact CE1-CG 3.26Å; W214-P665 HydrophobicContact CH2-CG 3.65Å; W214-P665 HydrophobicContact CZ2-CG 3.95Å; W214-P665 HydrophobicContact CZ3-CG 4.21Å; M663-P665 WeakPolarHBondContact O-CD 3.21Å
666	T	37.9	Very low	48.6	Very low	85 Å²	85	67 Å²	67	52%	0.521	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-64.3	149.6	162	66.8	0	0	0	0	108.6	A664 S668	A664-T666 PolarHBondContact O-N 3.26Å; T666-S668 PolarHBondContact O-N 3.2Å; T666-S668 PolarHBondContact OG1-OG 2.98Å
667	K	36.6	Very low	50.5	Low	211 Å²	211	61.5 Å²	61.5	92%	0.917	33%	0.328	S	S	*	.	S	Bend	trans	-79.7	41.5	-160.7	-147.5	164.9	-169.3	164.7	0	114.3
668	S	37.4	Very low	52.3	Low	47 Å²	47	60.3 Å²	60.3	33%	0.329	33%	0.326	S	S	.	.	S	Bend	trans	-164.4	101.6	-164.2	46.7	0	0	0	0	108	T666 E670 R675	T666-S668 PolarHBondContact O-N 3.2Å; T666-S668 PolarHBondContact OG1-OG 2.98Å; S668-E670 PolarHBondContact O-N 3.34Å; S668-R675 PolarHBondContact OG-NH1 2.94Å
669	G	45.9	Very low	53.8	Low	97 Å²	97	54.8 Å²	54.8	100%	1	31%	0.313	S	S	*	.	S	Bend	trans	-73.8	40.5	-179.6	0	0	0	0	0	114.5
670	E	55.6	Low	54.8	Low	67 Å²	67	56.8 Å²	56.8	31%	0.313	32%	0.318	S	S	.	.	S	Bend	trans	-153.8	113.4	178.1	-176.3	169.5	-86.5	0	0	105.2	S668 Q674 R675 K678	S668-E670 PolarHBondContact O-N 3.34Å; E670-Q674 HydrophobicContact CG-CB 3.97Å; E670-R675 HydrophobicContact CB-CG 4.33Å; E670-R675 HydrophobicContact CG-CG 3.92Å; E670-R675 WeakPolarHBondContact O-CG 3.44Å; E670-R675 PolarHBondContact O-NH1 3.46Å; E670-K678 VanDerWaalsContact OE1-CD 3.27Å; E670-K678 WeakPolarHBondContact OE1-CD 3.35Å; E670-K678 WeakPolarHBondContact OE1-CE 3.23Å; E670-K678 IonicContact OE1-NZ 3.19Å; E670-K678 PolarHBondContact OE1-NZ 2.88Å; E670-K678 IonicContact OE2-NZ 3.13Å
671	T	63.7	Low	55.4	Low	21 Å²	21	63.5 Å²	63.5	13%	0.129	34%	0.342	C	S	.	.			trans	-70.7	169.2	-163.9	78.4	0	0	0	0	114.1	E76 T673 Q674 R675	E76-T671 HydrophobicContact CG-CG2 4.25Å; E76-T671 WeakPolarHBondContact OE1-CB 3.45Å; E76-T671 WeakPolarHBondContact OE2-CB 3.47Å; E76-T671 WeakPolarHBondContact OE2-CG2 3.4Å; E76-T671 PolarHBondContact OE2-OG1 3.33Å; T671-T673 VanDerWaalsContact C-N 3.29Å; T671-T673 PolarHBondContact O-N 2.58Å; T671-T673 PolarHBondContact OG1-N 3.35Å; T671-Q674 HydrophobicContact CG2-CG 4.42Å; T671-Q674 PolarHBondContact O-N 2.96Å; T671-Q674 WeakPolarHBondContact OG1-CG 3.46Å; T671-Q674 PolarHBondContact OG1-N 3.25Å; T671-R675 VanDerWaalsContact O-CB 3.24Å; T671-R675 WeakPolarHBondContact O-CB 3.27Å; T671-R675 WeakPolarHBondContact O-CG 3.45Å; T671-R675 PolarHBondContact O-N 2.66Å
672	E	65.3	Low	56.3	Low	74 Å²	74	65.3 Å²	65.3	35%	0.346	35%	0.353	S	S	.	.	H	α-helix	trans	-66.6	-33.3	176.5	-171.3	55.1	-147.9	0	0	111.8	R675 S676	E672-R675 IonicContact OE2-CZ 2.63Å; E672-R675 IonicContact OE2-NE 2.71Å; E672-R675 PolarHBondContact OE2-NE 2.76Å; E672-R675 IonicContact OE2-NH2 2.98Å; E672-R675 PolarHBondContact OE2-NH2 3.34Å; E672-S676 WeakPolarHBondContact O-CB 3.37Å; E672-S676 PolarHBondContact O-N 2.96Å
673	T	62	Low	56.6	Low	1 Å²	1	73.6 Å²	73.6	1%	0.006	38%	0.383	C	S	.	.	H	α-helix	trans	-59.5	-54.7	168.4	-63.7	0	0	0	0	110.5	L45 I53 W78 T671 R675 S676 V677	L45-T673 WeakPolarHBondContact CD2-OG1 3.17Å; I53-T673 HydrophobicContact CD1-CG2 3.92Å; I53-T673 HydrophobicContact CG1-CG2 4.26Å; W78-T673 HydrophobicContact CE3-CG2 3.62Å; W78-T673 HydrophobicContact CZ3-CG2 3.6Å; T671-T673 VanDerWaalsContact C-N 3.29Å; T671-T673 PolarHBondContact O-N 2.58Å; T671-T673 PolarHBondContact OG1-N 3.35Å; T673-R675 PolarHBondContact O-N 3.23Å; T673-S676 PolarHBondContact O-N 2.88Å; T673-V677 HydrophobicContact CG2-CG2 4.49Å; T673-V677 WeakPolarHBondContact O-CB 3.27Å; T673-V677 VanDerWaalsContact O-CG2 3.27Å; T673-V677 WeakPolarHBondContact O-CG2 3.43Å; T673-V677 PolarHBondContact O-N 3.46Å
674	Q	66.7	Low	56.7	Low	51 Å²	51	74.1 Å²	74.1	24%	0.238	39%	0.393	C	S	.	.	H	α-helix	trans	-61.7	-41.4	-180	-66.7	167.4	2.5	0	0	112.4	W78 E670 T671 K678	W78-Q674 HydrophobicContact CH2-CG 3.86Å; W78-Q674 HydrophobicContact CZ2-CG 4.14Å; E670-Q674 HydrophobicContact CG-CB 3.97Å; T671-Q674 HydrophobicContact CG2-CG 4.42Å; T671-Q674 PolarHBondContact O-N 2.96Å; T671-Q674 WeakPolarHBondContact OG1-CG 3.46Å; T671-Q674 PolarHBondContact OG1-N 3.25Å; Q674-K678 WeakPolarHBondContact O-CB 3.36Å; Q674-K678 PolarHBondContact O-N 3.04Å
675	R	73.5	Confident	57.4	Low	74 Å²	74	76.6 Å²	76.6	28%	0.279	41%	0.405	S	S	.	.	H	α-helix	trans	-64.2	-43	174.9	-74.8	-172.9	-56.9	-108.8	12.7	111.5	S668 E670 T671 E672 T673 A679	S668-R675 PolarHBondContact OG-NH1 2.94Å; E670-R675 HydrophobicContact CB-CG 4.33Å; E670-R675 HydrophobicContact CG-CG 3.92Å; E670-R675 WeakPolarHBondContact O-CG 3.44Å; E670-R675 PolarHBondContact O-NH1 3.46Å; T671-R675 VanDerWaalsContact O-CB 3.24Å; T671-R675 WeakPolarHBondContact O-CB 3.27Å; T671-R675 WeakPolarHBondContact O-CG 3.45Å; T671-R675 PolarHBondContact O-N 2.66Å; E672-R675 IonicContact OE2-CZ 2.63Å; E672-R675 IonicContact OE2-NE 2.71Å; E672-R675 PolarHBondContact OE2-NE 2.76Å; E672-R675 IonicContact OE2-NH2 2.98Å; E672-R675 PolarHBondContact OE2-NH2 3.34Å; T673-R675 PolarHBondContact O-N 3.23Å; R675-A679 WeakPolarHBondContact O-CA 3.47Å; R675-A679 WeakPolarHBondContact O-CB 3.37Å; R675-A679 PolarHBondContact O-N 2.86Å
676	S	70.6	Confident	57.8	Low	33 Å²	33	82.9 Å²	82.9	23%	0.231	42%	0.422	C	S	.	.	H	α-helix	trans	-65.2	-46.6	178.2	-173.1	0	0	0	0	110.7	I53 E672 T673 R680	I53-S676 WeakPolarHBondContact CG2-OG 3.14Å; E672-S676 WeakPolarHBondContact O-CB 3.37Å; E672-S676 PolarHBondContact O-N 2.96Å; T673-S676 PolarHBondContact O-N 2.88Å; S676-R680 VanDerWaalsContact O-CB 3.25Å; S676-R680 WeakPolarHBondContact O-CB 3.37Å; S676-R680 PolarHBondContact O-N 3.39Å
677	V	67.7	Low	58	Low	18 Å²	18	89.1 Å²	89.1	11%	0.109	44%	0.436	C	S	.	.	H	α-helix	trans	-61.4	-50.8	174.6	173.8	0	0	0	0	111.3	I53 V87 T673 R680 Y681	I53-V677 HydrophobicContact CG2-CG2 4.1Å; V87-V677 HydrophobicContact CG2-CB 4.23Å; V87-V677 HydrophobicContact CG2-CG1 3.78Å; V87-V677 HydrophobicContact CG2-CG2 3.45Å; V87-V677 VanDerWaalsContact CG2-CG2 3.45Å; T673-V677 HydrophobicContact CG2-CG2 4.49Å; T673-V677 WeakPolarHBondContact O-CB 3.27Å; T673-V677 VanDerWaalsContact O-CG2 3.27Å; T673-V677 WeakPolarHBondContact O-CG2 3.43Å; T673-V677 PolarHBondContact O-N 3.46Å; V677-R680 CarbonylContact O-C 3.56Å; V677-R680 WeakPolarHBondContact O-CA 3.45Å; V677-R680 WeakPolarHBondContact O-CB 3.16Å; V677-R680 PolarHBondContact O-N 2.9Å; V677-Y681 PolarHBondContact O-N 3.36Å
678	K	68.8	Low	58.3	Low	107 Å²	107	84.6 Å²	84.6	47%	0.465	43%	0.431	S	S	.	.	H	α-helix	trans	-68.5	-37	-178.6	-169	175.3	-174.5	172.3	0	112.6	E670 Q674 R680 Y681 V682	E670-K678 VanDerWaalsContact OE1-CD 3.27Å; E670-K678 WeakPolarHBondContact OE1-CD 3.35Å; E670-K678 WeakPolarHBondContact OE1-CE 3.23Å; E670-K678 IonicContact OE1-NZ 3.19Å; E670-K678 PolarHBondContact OE1-NZ 2.88Å; E670-K678 IonicContact OE2-NZ 3.13Å; Q674-K678 WeakPolarHBondContact O-CB 3.36Å; Q674-K678 PolarHBondContact O-N 3.04Å; K678-R680 VanDerWaalsContact C-N 3.29Å; K678-R680 PolarHBondContact O-N 3.35Å; K678-Y681 PolarHBondContact O-N 3.12Å; K678-V682 WeakPolarHBondContact O-CB 3.23Å; K678-V682 VanDerWaalsContact O-CG2 3.26Å; K678-V682 WeakPolarHBondContact O-CG2 3.31Å; K678-V682 PolarHBondContact O-N 3.1Å
679	A	69.9	Low	58.5	Low	35 Å²	35	88.3 Å²	88.3	29%	0.289	45%	0.452	S	S	.	.	H	α-helix	trans	-66	-33.1	170	0	0	0	0	0	111.2	R675 R683	R675-A679 WeakPolarHBondContact O-CA 3.47Å; R675-A679 WeakPolarHBondContact O-CB 3.37Å; R675-A679 PolarHBondContact O-N 2.86Å; A679-R683 VanDerWaalsContact O-CB 3.23Å; A679-R683 WeakPolarHBondContact O-CB 3.48Å; A679-R683 WeakPolarHBondContact O-CD 3.5Å; A679-R683 WeakPolarHBondContact O-CG 3.27Å; A679-R683 PolarHBondContact O-N 3.37Å
680	R	60.2	Low	58.4	Low	83 Å²	83	93.3 Å²	93.3	31%	0.313	45%	0.449	S	S	.	.	H	α-helix	trans	-70.9	-40.1	173.7	-154.2	173.9	-56.9	-117.9	7.6	111.7	I53 N54 S676 V677 K678 R683 S684	I53-R680 WeakPolarHBondContact O-CD 3.39Å; I53-R680 PolarHBondContact O-NE 2.86Å; I53-R680 PolarHBondContact O-NH2 3.1Å; N54-R680 VanDerWaalsContact OD1-CZ 3.25Å; N54-R680 PolarHBondContact OD1-NH1 3.15Å; N54-R680 PolarHBondContact OD1-NH2 2.81Å; S676-R680 VanDerWaalsContact O-CB 3.25Å; S676-R680 WeakPolarHBondContact O-CB 3.37Å; S676-R680 PolarHBondContact O-N 3.39Å; V677-R680 CarbonylContact O-C 3.56Å; V677-R680 WeakPolarHBondContact O-CA 3.45Å; V677-R680 WeakPolarHBondContact O-CB 3.16Å; V677-R680 PolarHBondContact O-N 2.9Å; K678-R680 VanDerWaalsContact C-N 3.29Å; K678-R680 PolarHBondContact O-N 3.35Å; R680-R683 CarbonylContact O-C 3.56Å; R680-R683 PolarHBondContact O-N 3.11Å; R680-S684 PolarHBondContact O-N 3.43Å; R680-S684 PolarHBondContact O-OG 2.79Å
681	Y	61.3	Low	57.7	Low	158 Å²	158	93.7 Å²	93.7	62%	0.62	47%	0.471	S	S	*	.	H	α-helix	trans	-63.3	-42.9	171	-176.3	-96.6	0	0	0	112.3	V677 K678 R683 S684 T685	V677-Y681 PolarHBondContact O-N 3.36Å; K678-Y681 PolarHBondContact O-N 3.12Å; Y681-R683 VanDerWaalsContact C-N 3.3Å; Y681-R683 PolarHBondContact O-N 2.86Å; Y681-S684 WeakPolarHBondContact CA-OG 3.4Å; Y681-S684 PolarHBondContact O-N 3.12Å; Y681-S684 PolarHBondContact O-OG 3.45Å; Y681-T685 HydrophobicContact CD1-CG2 4.4Å; Y681-T685 HydrophobicContact CE1-CG2 4.07Å; Y681-T685 HydrophobicContact CE2-CG2 4.43Å; Y681-T685 WeakPolarHBondContact O-CB 3.49Å; Y681-T685 WeakPolarHBondContact O-CG2 3.49Å; Y681-T685 PolarHBondContact O-N 3.32Å; Y681-T685 PolarHBondContact O-OG1 3.26Å
682	V	63.1	Low	57	Low	59 Å²	59	97.8 Å²	97.8	36%	0.358	50%	0.496	S	S	.	.	H	α-helix	trans	-67.5	-29.5	172.8	170.2	0	0	0	0	111.7	K678 T685 R686	K678-V682 WeakPolarHBondContact O-CB 3.23Å; K678-V682 VanDerWaalsContact O-CG2 3.26Å; K678-V682 WeakPolarHBondContact O-CG2 3.31Å; K678-V682 PolarHBondContact O-N 3.1Å; V682-T685 WeakPolarHBondContact CA-OG1 3.25Å; V682-T685 PolarHBondContact O-OG1 3.03Å; V682-R686 WeakPolarHBondContact O-CB 3.45Å; V682-R686 WeakPolarHBondContact O-CD 3.44Å; V682-R686 WeakPolarHBondContact O-CG 3.4Å; V682-R686 PolarHBondContact O-N 3.44Å
683	R	55.4	Low	56.5	Low	179 Å²	179	96.8 Å²	96.8	68%	0.675	50%	0.497	S	S	*	.	H	α-helix	trans	-77.4	-38.1	173.9	-76.2	164	-172.9	175.6	4.7	112.4	A679 R680 Y681 R686 R687	A679-R683 VanDerWaalsContact O-CB 3.23Å; A679-R683 WeakPolarHBondContact O-CB 3.48Å; A679-R683 WeakPolarHBondContact O-CD 3.5Å; A679-R683 WeakPolarHBondContact O-CG 3.27Å; A679-R683 PolarHBondContact O-N 3.37Å; R680-R683 CarbonylContact O-C 3.56Å; R680-R683 PolarHBondContact O-N 3.11Å; Y681-R683 VanDerWaalsContact C-N 3.3Å; Y681-R683 PolarHBondContact O-N 2.86Å; R683-R686 CarbonylContact O-C 3.48Å; R683-R686 PolarHBondContact O-N 3.34Å; R683-R687 WeakPolarHBondContact O-CB 3.47Å; R683-R687 PolarHBondContact O-N 3.18Å
684	S	48.5	Very low	56.2	Low	74 Å²	74	101 Å²	101	52%	0.517	53%	0.526	S	S	.	.	H	α-helix	trans	-69.5	-47.2	177.2	61.9	0	0	0	0	111	R680 Y681 R686 R687	R680-S684 PolarHBondContact O-N 3.43Å; R680-S684 PolarHBondContact O-OG 2.79Å; Y681-S684 WeakPolarHBondContact CA-OG 3.4Å; Y681-S684 PolarHBondContact O-N 3.12Å; Y681-S684 PolarHBondContact O-OG 3.45Å; S684-R686 PolarHBondContact O-N 3.09Å; S684-R687 PolarHBondContact O-N 3.45Å
685	T	54.3	Low	56.2	Low	87 Å²	87	104 Å²	104	53%	0.534	54%	0.541	S	S	.	.	H	α-helix	trans	-62.5	-21	172.5	53.9	0	0	0	0	113.6	Y681 V682	Y681-T685 HydrophobicContact CD1-CG2 4.4Å; Y681-T685 HydrophobicContact CE1-CG2 4.07Å; Y681-T685 HydrophobicContact CE2-CG2 4.43Å; Y681-T685 WeakPolarHBondContact O-CB 3.49Å; Y681-T685 WeakPolarHBondContact O-CG2 3.49Å; Y681-T685 PolarHBondContact O-N 3.32Å; Y681-T685 PolarHBondContact O-OG1 3.26Å; V682-T685 WeakPolarHBondContact CA-OG1 3.25Å; V682-T685 PolarHBondContact O-OG1 3.03Å
686	R	48.7	Very low	56	Low	180 Å²	180	104.2 Å²	104.2	68%	0.679	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-4.2	171.8	-72.3	177.1	177.6	-161.2	-1.1	114.8	V682 R683 S684 S688	V682-R686 WeakPolarHBondContact O-CB 3.45Å; V682-R686 WeakPolarHBondContact O-CD 3.44Å; V682-R686 WeakPolarHBondContact O-CG 3.4Å; V682-R686 PolarHBondContact O-N 3.44Å; R683-R686 CarbonylContact O-C 3.48Å; R683-R686 PolarHBondContact O-N 3.34Å; S684-R686 PolarHBondContact O-N 3.09Å; R686-S688 PolarHBondContact O-N 3.43Å
687	R	42.4	Very low	55.8	Low	216 Å²	216	106.9 Å²	106.9	82%	0.815	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	44.1	-174.9	-138.3	177.3	-171	-148.5	0	114	R683 S684	R683-R687 WeakPolarHBondContact O-CB 3.47Å; R683-R687 PolarHBondContact O-N 3.18Å; S684-R687 PolarHBondContact O-N 3.45Å
688	S	44.2	Very low	55.8	Low	115 Å²	115	110.8 Å²	110.8	80%	0.804	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.7	32.6	174	-158.9	0	0	0	0	113	R686	R686-S688 PolarHBondContact O-N 3.43Å
689	T	41.6	Very low	55.8	Low	126 Å²	126	111 Å²	111	77%	0.773	58%	0.582	S	S	*	*			trans	-133.7	40.2	-179.5	66.4	0	0	0	0	113.1
690	Q	42.2	Very low	55.7	Low	201 Å²	201	112.1 Å²	112.1	94%	0.939	59%	0.591	S	S	*	*	S	Bend	trans	-132.4	91.2	178.1	-161.6	167.3	17	0	0	110.8
691	G	41.4	Very low	56	Low	75 Å²	75	114.6 Å²	114.6	77%	0.773	60%	0.604	S	S	*	*	S	Bend	trans	110.5	28	163.9	0	0	0	0	0	118.6
692	V	48.8	Very low	56.3	Low	107 Å²	107	112.6 Å²	112.6	65%	0.648	60%	0.599	S	S	*	*			trans	-142.5	114.7	168	-158.8	0	0	0	0	110.4	D696 V697	V692-D696 HydrophobicContact CG1-CB 3.75Å; V692-V697 HydrophobicContact CG1-CG2 3.56Å
693	S	55.5	Low	56.2	Low	54 Å²	54	114.2 Å²	114.2	38%	0.378	61%	0.605	S	S	.	*			trans	-76	165.4	167.1	-162	0	0	0	0	111.3	E695 D696 V697	S693-E695 PolarHBondContact O-N 3.06Å; S693-E695 PolarHBondContact OG-OE2 3.36Å; S693-D696 VanDerWaalsContact CB-OD2 3.29Å; S693-D696 WeakPolarHBondContact CB-OD2 3.37Å; S693-D696 PolarHBondContact N-OD2 2.86Å; S693-D696 PolarHBondContact O-N 3.31Å; S693-V697 PolarHBondContact O-N 2.98Å; S693-V697 VanDerWaalsContact O-N 3.07Å
694	S	56.1	Low	56.3	Low	88 Å²	88	108.9 Å²	108.9	62%	0.615	60%	0.599	S	S	*	*	H	α-helix	trans	-60.7	-37.6	168.5	-164.5	0	0	0	0	111	D696 V697 E698	S694-D696 VanDerWaalsContact C-N 3.28Å; S694-D696 PolarHBondContact O-N 2.97Å; S694-V697 PolarHBondContact O-N 3.29Å; S694-E698 WeakPolarHBondContact O-CB 3.44Å; S694-E698 PolarHBondContact O-N 3.32Å
695	E	66.3	Low	56.5	Low	116 Å²	116	111 Å²	111	54%	0.542	60%	0.604	S	S	.	*	H	α-helix	trans	-60.3	-35	170.6	-71.6	68.8	-154	0	0	112.5	S693 E698 Q699	S693-E695 PolarHBondContact O-N 3.06Å; S693-E695 PolarHBondContact OG-OE2 3.36Å; E695-E698 PolarHBondContact O-N 3.39Å; E695-Q699 WeakPolarHBondContact O-CB 3.24Å; E695-Q699 WeakPolarHBondContact O-CG 3.45Å; E695-Q699 PolarHBondContact O-N 3.28Å
696	D	69.9	Low	56.3	Low	78 Å²	78	114.1 Å²	114.1	42%	0.417	61%	0.61	S	S	.	*	H	α-helix	trans	-74.4	-38.3	-179.5	-59.6	-39.4	0	0	0	110.9	V692 S693 S694 A700	V692-D696 HydrophobicContact CG1-CB 3.75Å; S693-D696 VanDerWaalsContact CB-OD2 3.29Å; S693-D696 WeakPolarHBondContact CB-OD2 3.37Å; S693-D696 PolarHBondContact N-OD2 2.86Å; S693-D696 PolarHBondContact O-N 3.31Å; S694-D696 VanDerWaalsContact C-N 3.28Å; S694-D696 PolarHBondContact O-N 2.97Å; D696-A700 WeakPolarHBondContact O-CB 3.35Å; D696-A700 PolarHBondContact O-N 3.41Å
697	V	64.7	Low	55.8	Low	89 Å²	89	112 Å²	112	54%	0.539	61%	0.613	S	S	.	*	H	α-helix	trans	-62.3	-45.1	170.2	-177.8	0	0	0	0	110.4	V692 S693 S694 A700 K701	V692-V697 HydrophobicContact CG1-CG2 3.56Å; S693-V697 PolarHBondContact O-N 2.98Å; S693-V697 VanDerWaalsContact O-N 3.07Å; S694-V697 PolarHBondContact O-N 3.29Å; V697-A700 PolarHBondContact O-N 3.14Å; V697-K701 WeakPolarHBondContact O-CB 3.37Å; V697-K701 PolarHBondContact O-N 2.87Å
698	E	67.7	Low	55.6	Low	99 Å²	99	108.7 Å²	108.7	46%	0.463	61%	0.611	S	S	.	*	H	α-helix	trans	-75.7	-31	-176.8	-150.4	-167.4	128.8	0	0	112.9	S694 E695 K702	S694-E698 WeakPolarHBondContact O-CB 3.44Å; S694-E698 PolarHBondContact O-N 3.32Å; E695-E698 PolarHBondContact O-N 3.39Å; E698-K702 VanDerWaalsContact O-CB 3.3Å; E698-K702 WeakPolarHBondContact O-CB 3.42Å; E698-K702 WeakPolarHBondContact O-CG 3.29Å; E698-K702 PolarHBondContact O-N 3.25Å; E698-K702 WeakPolarHBondContact OE1-CE 3.35Å; E698-K702 IonicContact OE1-NZ 2.69Å; E698-K702 PolarHBondContact OE1-NZ 2.69Å
699	Q	69	Low	55.1	Low	111 Å²	111	110.6 Å²	110.6	52%	0.519	61%	0.612	S	S	.	*	H	α-helix	trans	-70.5	-44.4	169.4	-76.7	-176.4	57.8	0	0	111.1	E695 K701 K702 L703	E695-Q699 WeakPolarHBondContact O-CB 3.24Å; E695-Q699 WeakPolarHBondContact O-CG 3.45Å; E695-Q699 PolarHBondContact O-N 3.28Å; Q699-K701 PolarHBondContact O-N 2.88Å; Q699-K702 CarbonylContact O-C 3.55Å; Q699-K702 PolarHBondContact O-N 3.24Å; Q699-L703 VanDerWaalsContact O-CB 3.28Å; Q699-L703 WeakPolarHBondContact O-CB 3.39Å; Q699-L703 VanDerWaalsContact O-CG 3.24Å; Q699-L703 WeakPolarHBondContact O-CG 3.25Å; Q699-L703 PolarHBondContact O-N 2.97Å
700	A	68.5	Low	54.7	Low	59 Å²	59	108.6 Å²	108.6	49%	0.488	62%	0.617	S	S	.	*	H	α-helix	trans	-58.4	-39	173.3	0	0	0	0	0	111.3	D696 V697 L703 A704	D696-A700 WeakPolarHBondContact O-CB 3.35Å; D696-A700 PolarHBondContact O-N 3.41Å; V697-A700 PolarHBondContact O-N 3.14Å; A700-L703 PolarHBondContact O-N 3.14Å; A700-A704 WeakPolarHBondContact O-CB 3.46Å; A700-A704 PolarHBondContact O-N 3.4Å
701	K	65.9	Low	54.2	Low	135 Å²	135	105.2 Å²	105.2	59%	0.587	62%	0.615	S	S	*	*	H	α-helix	trans	-67.3	-48.6	173.5	-165.4	174.5	-178.6	-179.5	0	112.3	V697 Q699 L703 A704 D705	V697-K701 WeakPolarHBondContact O-CB 3.37Å; V697-K701 PolarHBondContact O-N 2.87Å; Q699-K701 PolarHBondContact O-N 2.88Å; K701-L703 PolarHBondContact O-N 3.4Å; K701-A704 PolarHBondContact O-N 3.17Å; K701-D705 WeakPolarHBondContact O-CB 3.39Å; K701-D705 PolarHBondContact O-N 3.1Å
702	K	67.2	Low	53.8	Low	117 Å²	117	105.8 Å²	105.8	51%	0.509	61%	0.613	S	S	.	*	H	α-helix	trans	-61.7	-23.7	173.9	-83	165.1	170.2	154.9	0	113.7	E698 Q699 K706	E698-K702 VanDerWaalsContact O-CB 3.3Å; E698-K702 WeakPolarHBondContact O-CB 3.42Å; E698-K702 WeakPolarHBondContact O-CG 3.29Å; E698-K702 PolarHBondContact O-N 3.25Å; E698-K702 WeakPolarHBondContact OE1-CE 3.35Å; E698-K702 IonicContact OE1-NZ 2.69Å; E698-K702 PolarHBondContact OE1-NZ 2.69Å; Q699-K702 CarbonylContact O-C 3.55Å; Q699-K702 PolarHBondContact O-N 3.24Å; K702-K706 VanDerWaalsContact O-CB 3.24Å; K702-K706 WeakPolarHBondContact O-CB 3.34Å; K702-K706 WeakPolarHBondContact O-CG 3.47Å; K702-K706 PolarHBondContact O-N 2.98Å
703	L	61.1	Low	53	Low	93 Å²	93	107.2 Å²	107.2	49%	0.487	62%	0.621	S	S	.	*	H	α-helix	trans	-85.4	-38.2	174.3	-73.7	165.9	0	0	0	111.7	Q699 A700 K701 K706 N707	Q699-L703 VanDerWaalsContact O-CB 3.28Å; Q699-L703 WeakPolarHBondContact O-CB 3.39Å; Q699-L703 VanDerWaalsContact O-CG 3.24Å; Q699-L703 WeakPolarHBondContact O-CG 3.25Å; Q699-L703 PolarHBondContact O-N 2.97Å; A700-L703 PolarHBondContact O-N 3.14Å; K701-L703 PolarHBondContact O-N 3.4Å; L703-K706 PolarHBondContact O-N 3.15Å; L703-N707 VanDerWaalsContact O-CB 3.27Å; L703-N707 WeakPolarHBondContact O-CB 3.44Å; L703-N707 VanDerWaalsContact O-CG 3.29Å; L703-N707 PolarHBondContact O-N 2.94Å
704	A	58.4	Low	52	Low	66 Å²	66	110.4 Å²	110.4	55%	0.545	64%	0.638	S	S	.	*	H	α-helix	trans	-62.4	-43.3	170.2	0	0	0	0	0	111.7	A700 K701 K706	A700-A704 WeakPolarHBondContact O-CB 3.46Å; A700-A704 PolarHBondContact O-N 3.4Å; K701-A704 PolarHBondContact O-N 3.17Å; A704-K706 VanDerWaalsContact C-N 3.27Å; A704-K706 PolarHBondContact O-N 3.28Å
705	D	53.1	Low	50.9	Low	119 Å²	119	111.2 Å²	111.2	64%	0.636	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-13.2	177.5	-67.1	-29	0	0	0	113.1	K701	K701-D705 WeakPolarHBondContact O-CB 3.39Å; K701-D705 PolarHBondContact O-N 3.1Å
706	K	49.6	Very low	49.1	Very low	152 Å²	152	112.9 Å²	112.9	66%	0.661	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-33.7	173.7	-82.1	-177.9	173.9	-172.8	0	114.4	K702 L703 A704 N708 N709	K702-K706 VanDerWaalsContact O-CB 3.24Å; K702-K706 WeakPolarHBondContact O-CB 3.34Å; K702-K706 WeakPolarHBondContact O-CG 3.47Å; K702-K706 PolarHBondContact O-N 2.98Å; L703-K706 PolarHBondContact O-N 3.15Å; A704-K706 VanDerWaalsContact C-N 3.27Å; A704-K706 PolarHBondContact O-N 3.28Å; K706-N708 PolarHBondContact O-N 3.11Å; K706-N709 PolarHBondContact O-N 2.78Å
707	N	39	Very low	47.3	Very low	136 Å²	136	116.9 Å²	116.9	73%	0.727	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	16.2	-179.4	-74.1	-9.5	0	0	0	113.8	L703	L703-N707 VanDerWaalsContact O-CB 3.27Å; L703-N707 WeakPolarHBondContact O-CB 3.44Å; L703-N707 VanDerWaalsContact O-CG 3.29Å; L703-N707 PolarHBondContact O-N 2.94Å
708	N	36.8	Very low	45.8	Very low	146 Å²	146	117.3 Å²	117.3	78%	0.781	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	28.3	172.4	-138.3	1	0	0	0	112.3	K706	K706-N708 PolarHBondContact O-N 3.11Å
709	N	33.3	Very low	44.1	Very low	156 Å²	156	120.7 Å²	120.7	83%	0.834	70%	0.701	S	S	*	*	S	Bend	trans	-155.7	119.8	164.9	-106.7	-37.2	0	0	0	113.2	K706	K706-N709 PolarHBondContact O-N 2.78Å
710	G	33.7	Very low	42.1	Very low	84 Å²	84	121.6 Å²	121.6	87%	0.866	71%	0.708	S	S	*	*			trans	82	105.1	157.8	0	0	0	0	0	117.8
711	S	31.3	Very low	40.3	Very low	130 Å²	130	126.1 Å²	126.1	91%	0.909	72%	0.721	S	S	*	*			trans	-117.9	99.7	163.5	-174.6	0	0	0	0	110.7
712	A	33	Very low	38.6	Very low	87 Å²	87	126.4 Å²	126.4	72%	0.719	73%	0.729	S	S	*	*			trans	-164.2	122.1	162.9	0	0	0	0	0	107
713	V	33.7	Very low	36.9	Very low	136 Å²	136	124.5 Å²	124.5	82%	0.824	73%	0.731	S	S	*	*				70.9	114.1	63	175	0	0	0	0	110.3
714	V	33.2	Very low	35.5	Very low	122 Å²	122	128 Å²	128	74%	0.739	75%	0.75	S	S	*	*			cis	-163.7	159.6	1.1	84.3	0	0	0	0	113.8
715	S	33.2	Very low	34.2	Very low	105 Å²	105	133.3 Å²	133.3	73%	0.734	76%	0.763	S	S	*	*			trans	64.2	147.9	155.2	-63.6	0	0	0	0	123.5
716	D	28.6	Very low	33.2	Very low	150 Å²	150	133.5 Å²	133.5	80%	0.802	77%	0.769	S	S	*	*			trans	-85	167.1	-179.4	-49.3	-98.1	0	0	0	115.3
717	N	32.7	Very low	32.5	Very low	163 Å²	163	131.8 Å²	131.8	87%	0.872	77%	0.771	S	S	*	*				-159.2	153.9	119.1	-110.4	-37.4	0	0	0	115.2
718	S	33.6	Very low	32.1	Very low	97 Å²	97	132.3 Å²	132.3	68%	0.678	77%	0.773	S	S	*	*			trans	-48.5	147.3	-171.4	55.4	0	0	0	0	120.6
719	Q	30.3	Very low	31.9	Very low	170 Å²	170	129.9 Å²	129.9	79%	0.794	77%	0.774	S	S	*	*				12.2	152.4	119.5	-64.6	-175.6	5.9	0	0	118.8
720	L	27.8	Very low	31.8	Very low	130 Å²	130	127.9 Å²	127.9	68%	0.681	77%	0.772	S	S	*	*			cis	-169.7	178.6	29.1	-134.2	164.2	0	0	0	110.1
721	M	29.7	Very low	31.7	Very low	154 Å²	154	129.3 Å²	129.3	76%	0.759	77%	0.769	S	S	*	*			trans	70.2	146.7	164.7	-64.7	-58.2	-180	0	0	118.4
722	N	31.4	Very low	31.8	Very low	141 Å²	141	128.7 Å²	128.7	75%	0.754	77%	0.765	S	S	*	*			cis	-154.9	174.3	-21.9	-157.7	9	0	0	0	111.7
723	S	30.8	Very low	31.9	Very low	78 Å²	78	129.2 Å²	129.2	55%	0.545	76%	0.763	S	S	.	*			trans	-58	154.7	-175.5	58.8	0	0	0	0	119.3
724	N	32.8	Very low	31.8	Very low	165 Å²	165	129 Å²	129	88%	0.882	76%	0.757	S	S	*	*				-164.1	152.6	114.9	-96.9	-19.6	0	0	0	114.5
725	H	31.3	Very low	31.7	Very low	178 Å²	178	133.5 Å²	133.5	82%	0.824	76%	0.761	S	S	*	*			trans	-98.2	161.7	-178.5	-94.1	-82.2	0	0	0	112.8
726	T	31.1	Very low	31.6	Very low	124 Å²	124	135.3 Å²	135.3	76%	0.761	77%	0.768	S	S	*	*				178.4	142.4	111.1	26.6	0	0	0	0	114
727	V	35.6	Very low	31.7	Very low	116 Å²	116	133.9 Å²	133.9	70%	0.703	76%	0.764	S	S	*	*			trans	45.8	151.7	149	-51.1	0	0	0	0	122.6
728	D	29.8	Very low	31.5	Very low	146 Å²	146	130.6 Å²	130.6	78%	0.781	75%	0.754	S	S	*	*			cis	-166.2	152.5	-23.4	-100.7	-28	0	0	0	110.6
729	A	32.4	Very low	31.3	Very low	96 Å²	96	131.7 Å²	131.7	79%	0.793	76%	0.757	S	S	*	*			trans	51.2	154.8	153.4	0	0	0	0	0	120.5
730	S	31.7	Very low	31.3	Very low	114 Å²	114	130 Å²	130	80%	0.797	75%	0.754	S	S	*	*			cis	-146.1	178.2	10.8	-56.6	0	0	0	0	112.1
731	S	31.1	Very low	31.7	Very low	114 Å²	114	128 Å²	128	80%	0.797	75%	0.747	S	S	*	*			trans	-65.6	163.9	174.2	53.3	0	0	0	0	114
732	S	33.2	Very low	31.9	Very low	117 Å²	117	126.5 Å²	126.5	82%	0.818	75%	0.751	S	S	*	*				-169.5	-159.4	69	58.7	0	0	0	0	115
733	S	35.7	Very low	32.1	Very low	98 Å²	98	123.1 Å²	123.1	69%	0.685	75%	0.75	S	S	*	*			trans	-107.9	164.7	-133.4	-36.4	0	0	0	0	118.6
734	D	31.9	Very low	32.1	Very low	131 Å²	131	126.8 Å²	126.8	70%	0.701	76%	0.763	S	S	*	*			trans	91	131.4	135.8	-90.9	-53.8	0	0	0	123.9
735	R	30.2	Very low	32.5	Very low	217 Å²	217	123.5 Å²	123.5	82%	0.819	75%	0.751	S	S	*	*			trans	37.3	114.7	145.3	-67.6	164.3	-180	-147.9	-3.7	120.1
736	T	33	Very low	32.7	Very low	143 Å²	143	121.6 Å²	121.6	88%	0.877	75%	0.747	S	S	*	*				-163.5	167.6	97.5	11.9	0	0	0	0	114
737	T	28.8	Very low	32.8	Very low	119 Å²	119	122.9 Å²	122.9	73%	0.73	75%	0.75	S	S	*	*			trans	-84.1	170.9	-176.6	48.4	0	0	0	0	113.8
738	S	28.7	Very low	32.9	Very low	94 Å²	94	126.1 Å²	126.1	66%	0.657	75%	0.754	S	S	*	*			trans	67.7	116.2	158.3	27	0	0	0	0	116.4
739	T	31.2	Very low	33.1	Very low	121 Å²	121	123.7 Å²	123.7	74%	0.742	75%	0.748	S	S	*	*				54.7	130	92.1	66.1	0	0	0	0	113.1
740	D	30.2	Very low	33.4	Very low	135 Å²	135	126.2 Å²	126.2	72%	0.722	75%	0.747	S	S	*	*			cis	-136.5	-164.4	23.8	-62.8	-74.1	0	0	0	110.9
741	T	35.5	Very low	33.5	Very low	87 Å²	87	129.3 Å²	129.3	53%	0.534	75%	0.746	S	S	.	*			cis	-144	160.1	2.5	40	0	0	0	0	107.1	H1020	T741-H1020 PolarHBondContact OG1-CE1 2.72Å
742	S	33.3	Very low	33.6	Very low	122 Å²	122	131.2 Å²	131.2	85%	0.853	75%	0.745	S	S	*	*	S	Bend	cis	-140.9	173.3	18	58	0	0	0	0	110.4
743	G	35.8	Very low	33.3	Very low	71 Å²	71	130 Å²	130	73%	0.732	74%	0.736	S	S	*	*			cis	-160.6	128.3	-2.4	0	0	0	0	0	110.2
744	D	31.4	Very low	33	Very low	154 Å²	154	134.3 Å²	134.3	82%	0.824	75%	0.745	S	S	*	*			trans	-64.1	166.2	177.7	-141.2	33.8	0	0	0	110.9
745	P	40.6	Very low	32.9	Very low	97 Å²	97	135.2 Å²	135.2	63%	0.63	76%	0.755	S	S	*	*			cis	-146.7	178.5	19.5	43.7	-23.5	0	0	0	120.4
746	N	35.1	Very low	32.9	Very low	137 Å²	137	129.8 Å²	129.8	73%	0.733	75%	0.751	S	S	*	*			trans	96.4	81.3	147.1	-71.7	-37.4	0	0	0	121
747	N	34.6	Very low	32.9	Very low	152 Å²	152	128.1 Å²	128.1	81%	0.813	75%	0.745	S	S	*	*				106	143.8	105.4	-155.6	18.2	0	0	0	118.1
748	K	36.7	Very low	33	Very low	183 Å²	183	127 Å²	127	80%	0.796	75%	0.748	S	S	*	*			trans	-121.4	168.8	-175.8	-77.8	-178.7	174.9	173.9	0	111.5
749	S	35	Very low	33.1	Very low	95 Å²	95	127.4 Å²	127.4	66%	0.664	75%	0.75	S	S	*	*			trans	82.7	106.1	150	-62.1	0	0	0	0	119.3
750	I	38.3	Very low	33.1	Very low	149 Å²	149	128.1 Å²	128.1	76%	0.764	75%	0.75	S	S	*	*				64.7	113.8	121.6	-62	160.3	0	0	0	115
751	K	33.9	Very low	32.9	Very low	179 Å²	179	131.9 Å²	131.9	78%	0.778	75%	0.754	S	S	*	*			cis	-156.5	157.9	35.9	-143.8	162	-172.7	176.5	0	112.7
752	M	32.9	Very low	32.6	Very low	155 Å²	155	133.3 Å²	133.3	76%	0.764	76%	0.757	S	S	*	*			trans	75.6	105.8	166.7	-66.3	-57.1	171.6	0	0	120.5
753	S	27.4	Very low	32.3	Very low	90 Å²	90	137.5 Å²	137.5	63%	0.629	76%	0.755	S	S	*	*				80.1	112.7	128.4	63.7	0	0	0	0	121.7
754	H	28.4	Very low	31.9	Very low	189 Å²	189	138.3 Å²	138.3	88%	0.875	75%	0.75	S	S	*	*			trans	62.2	90.3	151.9	-51.6	-57.3	0	0	0	118.7
755	T	29.4	Very low	31.9	Very low	150 Å²	150	138.2 Å²	138.2	92%	0.92	75%	0.749	S	S	*	*			trans	-84.1	160.6	165.6	46.6	0	0	0	0	112.7
756	S	30.8	Very low	31.5	Very low	104 Å²	104	139.9 Å²	139.9	73%	0.727	75%	0.753	S	S	*	*			trans	-145.4	154.8	-177.5	53.6	0	0	0	0	112.9
757	S	34	Very low	31.6	Very low	107 Å²	107	139.2 Å²	139.2	75%	0.748	76%	0.757	S	S	*	*			trans	42.8	124.8	146.7	61.6	0	0	0	0	122.8
758	A	30.9	Very low	31.3	Very low	97 Å²	97	136.8 Å²	136.8	80%	0.802	75%	0.747	S	S	*	*			trans	-149.6	142.5	135.2	0	0	0	0	0	108
759	S	30.2	Very low	30.9	Very low	101 Å²	101	134.8 Å²	134.8	71%	0.706	75%	0.745	S	S	*	*			cis	90.9	83.3	17.4	-57.9	0	0	0	0	117
760	N	29.8	Very low	30.5	Very low	137 Å²	137	136.1 Å²	136.1	73%	0.733	74%	0.744	S	S	*	*			trans	175	130	131.4	-92.1	-40	0	0	0	110.4
761	R	27.7	Very low	30.2	Very low	213 Å²	213	136.1 Å²	136.1	80%	0.804	74%	0.739	S	S	*	*				64.4	137.3	91	-67.4	-173.5	174.9	-154.4	-1.5	113.8
762	I	28	Very low	30.1	Very low	117 Å²	117	136.8 Å²	136.8	60%	0.6	74%	0.737	S	S	*	*			cis	-164.7	169.8	6	-121.2	168.4	0	0	0	110.8
763	Y	27.8	Very low	30	Very low	210 Å²	210	139.6 Å²	139.6	82%	0.824	74%	0.739	S	S	*	*			trans	68.1	127.3	-178.2	-63.3	-58.7	0	0	0	114.2
764	S	27	Very low	30.2	Very low	89 Å²	89	141.4 Å²	141.4	62%	0.622	74%	0.741	S	S	*	*				76.9	142.3	56.1	92.8	0	0	0	0	112.5
765	D	31.6	Very low	30.5	Very low	151 Å²	151	137.2 Å²	137.2	81%	0.807	73%	0.729	S	S	*	*			cis	-134.8	175.8	35.9	-70.8	-41.6	0	0	0	117
766	N	31.4	Very low	30.4	Very low	132 Å²	132	136.3 Å²	136.3	71%	0.706	72%	0.718	S	S	*	*			trans	-92.2	155.9	168.7	-168.2	7	0	0	0	109.4
767	P	37.8	Very low	30.3	Very low	124 Å²	124	137.4 Å²	137.4	81%	0.805	72%	0.72	S	S	*	*				-152.5	178	103.9	39.1	-20.8	0	0	0	116.6
768	T	28.7	Very low	30.2	Very low	101 Å²	101	139.5 Å²	139.5	62%	0.62	72%	0.718	S	S	*	*			trans	-100	166.4	-173.1	54.7	0	0	0	0	115
769	N	28.4	Very low	29.9	Very low	140 Å²	140	141 Å²	141	75%	0.749	71%	0.712	S	S	*	*			trans	72.2	152.7	151.6	-74.8	-39.4	0	0	0	117.8
770	L	27	Very low	29.7	Very low	124 Å²	124	143.3 Å²	143.3	65%	0.649	72%	0.716	S	S	*	*			cis	-161.8	170.7	13	-130.9	167.2	0	0	0	110.9
771	F	30.4	Very low	29.8	Very low	148 Å²	148	146 Å²	146	65%	0.649	72%	0.721	S	S	*	*			trans	68.1	132.3	166.7	-66.9	-54.4	0	0	0	116.6
772	R	32.3	Very low	29.9	Very low	193 Å²	193	141 Å²	141	73%	0.728	72%	0.718	S	S	*	*			cis	-157.5	172.4	8.3	-93.1	146.9	-158.3	163.3	12.3	106.5
773	R	30.6	Very low	30.1	Very low	215 Å²	215	146.5 Å²	146.5	81%	0.811	73%	0.732	S	S	*	*			cis	-170.1	158	4.6	-121.6	-169.1	167.4	-177.9	-4.8	104.5
774	L	32.9	Very low	30.4	Very low	128 Å²	128	140.7 Å²	140.7	67%	0.67	72%	0.722	S	S	*	*			cis	-151.1	160.7	-4.9	-75.8	169.7	0	0	0	104.7
775	T	34.2	Very low	30.5	Very low	101 Å²	101	143.8 Å²	143.8	62%	0.62	73%	0.732	S	S	*	*			cis	-160.1	122.7	-19.7	20.8	0	0	0	0	108.1
776	D	27.9	Very low	30.3	Very low	131 Å²	131	140.6 Å²	140.6	70%	0.701	72%	0.721	S	S	*	*				48.3	115.2	115.7	-54.6	-21.2	0	0	0	121.4
777	T	28.6	Very low	30.2	Very low	126 Å²	126	141.7 Å²	141.7	77%	0.773	72%	0.722	S	S	*	*				93.4	156.8	116.3	61.7	0	0	0	0	124.2
778	E	30.1	Very low	29.7	Very low	151 Å²	151	141.8 Å²	141.8	71%	0.706	72%	0.72	S	S	*	*			trans	75.9	109.3	155.1	-72.2	-64.6	101.5	0	0	121.5
779	L	25.7	Very low	29.9	Very low	129 Å²	129	143 Å²	143	68%	0.675	73%	0.727	S	S	*	*				24.7	143.1	117.9	-71.6	171.5	0	0	0	121.8
780	L	25.5	Very low	30	Very low	149 Å²	149	141 Å²	141	78%	0.78	73%	0.731	S	S	*	*			trans	61.7	95.2	148.2	-67.5	165.8	0	0	0	119.1
781	K	32	Very low	30.3	Very low	195 Å²	195	138.5 Å²	138.5	85%	0.848	73%	0.734	S	S	*	*				172.5	152.9	110.8	-94.7	159.4	-176.8	170.8	0	114.3
782	S	30.3	Very low	30.6	Very low	106 Å²	106	137.4 Å²	137.4	74%	0.741	75%	0.745	S	S	*	*			trans	42.6	130.6	151.2	61.6	0	0	0	0	119.5
783	R	31.1	Very low	30.7	Very low	233 Å²	233	131.4 Å²	131.4	88%	0.879	74%	0.743	S	S	*	*			cis	-131.8	122	41.1	-79.2	173.2	172	172.6	-4.6	110.4
784	S	34.3	Very low	31	Very low	88 Å²	88	128.4 Å²	128.4	62%	0.615	74%	0.743	S	S	*	*				53.3	114	90.5	72.2	0	0	0	0	112.3
785	N	30.1	Very low	31.2	Very low	155 Å²	155	127.9 Å²	127.9	83%	0.829	75%	0.745	S	S	*	*				52	135.1	69.7	-61.5	20.8	0	0	0	112.7
786	S	28.1	Very low	31.5	Very low	84 Å²	84	127.5 Å²	127.5	59%	0.587	75%	0.747	S	S	*	*			cis	-164.5	172.1	-19.6	51.5	0	0	0	0	108.9
787	E	28.9	Very low	32	Very low	155 Å²	155	128.8 Å²	128.8	72%	0.724	75%	0.752	S	S	*	*			trans	58	111.4	146.3	-72	157.8	122.2	0	0	122.4
788	T	27.6	Very low	32.3	Very low	125 Å²	125	125.8 Å²	125.8	77%	0.767	75%	0.746	S	S	*	*				81.8	161.6	125.9	66.2	0	0	0	0	122.5
789	V	31.3	Very low	32.4	Very low	127 Å²	127	129.8 Å²	129.8	77%	0.77	76%	0.755	S	S	*	*			trans	68.9	99.7	169.9	-163.7	0	0	0	0	114.1
790	A	31.2	Very low	32.7	Very low	99 Å²	99	127.9 Å²	127.9	82%	0.818	75%	0.752	S	S	*	*				71.2	149.6	59.8	0	0	0	0	0	114.2
791	G	32.8	Very low	33.1	Very low	70 Å²	70	126 Å²	126	72%	0.722	75%	0.752	S	S	*	*			cis	-126.1	-134.5	-10.2	0	0	0	0	0	109.6
792	S	36.5	Very low	33	Very low	125 Å²	125	121.4 Å²	121.4	87%	0.874	75%	0.75	S	S	*	*			cis	-164.3	161.6	-9	-66.7	0	0	0	0	105.6
793	G	35.4	Very low	33	Very low	67 Å²	67	126.9 Å²	126.9	69%	0.691	76%	0.755	S	S	*	*			cis	-150.4	-146.1	-10.4	0	0	0	0	0	104.7
794	D	36.4	Very low	33.1	Very low	153 Å²	153	120.4 Å²	120.4	82%	0.818	74%	0.741	S	S	*	*			cis	-164.2	151.7	-19.4	-98.4	-47.4	0	0	0	103
795	T	38.4	Very low	32.8	Very low	116 Å²	116	123.2 Å²	123.2	71%	0.712	75%	0.749	S	S	*	*			cis	-144.6	139.1	33	39.1	0	0	0	0	109.7
796	S	40.3	Very low	32.7	Very low	94 Å²	94	126.7 Å²	126.7	66%	0.657	75%	0.752	S	S	*	*				67.1	133.7	92.3	113.9	0	0	0	0	113.8
797	I	38.6	Very low	32.8	Very low	157 Å²	157	127 Å²	127	81%	0.805	75%	0.754	S	S	*	*			cis	-150.2	143	1.6	-93.6	143.3	0	0	0	104
798	G	33.4	Very low	32.8	Very low	63 Å²	63	125.1 Å²	125.1	65%	0.649	75%	0.753	S	S	*	*			cis	98.3	137.8	41.5	0	0	0	0	0	109.4
799	R	33.4	Very low	32.9	Very low	235 Å²	235	125.4 Å²	125.4	89%	0.887	75%	0.751	S	S	*	*			cis	-163.2	145.9	-0.7	-132.9	-175.1	-170.6	170.1	2.2	110.4
800	S	31.8	Very low	32.9	Very low	89 Å²	89	124.9 Å²	124.9	62%	0.622	74%	0.739	S	S	*	*			trans	29.9	148.4	135.2	63.3	0	0	0	0	122.5
801	S	32.3	Very low	32.8	Very low	110 Å²	110	129 Å²	129	77%	0.769	73%	0.734	S	S	*	*			cis	-178.9	150.9	-7.7	-93.3	0	0	0	0	109.8
802	A	30.4	Very low	32.8	Very low	99 Å²	99	134.8 Å²	134.8	82%	0.818	74%	0.742	S	S	*	*			trans	61.9	161.8	162.2	0	0	0	0	0	115.5
803	R	30.6	Very low	32.5	Very low	221 Å²	221	134.1 Å²	134.1	83%	0.834	73%	0.733	S	S	*	*			cis	-161.5	153.9	19.5	-159	-177.3	176.7	157.8	-2.1	109.4
804	T	33.5	Very low	32.4	Very low	97 Å²	97	137.6 Å²	137.6	60%	0.595	74%	0.736	S	S	*	*			trans	43.2	117.2	152.8	47.6	0	0	0	0	121
805	D	28.8	Very low	32.3	Very low	146 Å²	146	136.6 Å²	136.6	78%	0.781	73%	0.73	S	S	*	*				78.4	121.5	124.4	-49.7	-21.7	0	0	0	122.6
806	Y	27.5	Very low	32.1	Very low	229 Å²	229	136.2 Å²	136.2	90%	0.898	73%	0.728	S	S	*	*			trans	-14.9	131.5	148.3	-87.2	-93.7	0	0	0	118.5
807	S	29.2	Very low	31.6	Very low	89 Å²	89	143 Å²	143	62%	0.622	74%	0.739	S	S	*	*				134.6	112.4	110.8	-155.7	0	0	0	0	115.8
808	T	29.9	Very low	31.3	Very low	116 Å²	116	140.9 Å²	140.9	71%	0.712	74%	0.739	S	S	*	*			trans	68.2	161	138.1	51.5	0	0	0	0	121.4
809	N	28.8	Very low	31.2	Very low	132 Å²	132	143 Å²	143	71%	0.706	74%	0.743	S	S	*	*			trans	81.4	136.8	165.7	-64.6	-0.5	0	0	0	116.4
810	E	31.3	Very low	31.2	Very low	115 Å²	115	136.9 Å²	136.9	54%	0.537	74%	0.737	S	S	.	*			cis	-159	169.2	0.4	-125.8	174.3	-158.4	0	0	113.9
811	R	28.7	Very low	31.2	Very low	186 Å²	186	141 Å²	141	70%	0.702	75%	0.746	S	S	*	*			trans	36.1	135.7	145.8	-74.8	164.5	-173.9	134.9	8.6	119.3
812	E	34.6	Very low	31	Very low	192 Å²	192	144.1 Å²	144.1	90%	0.897	75%	0.748	S	S	*	*				-142.8	169.2	71.8	-94.5	178.7	167.6	0	0	115.8
813	T	29.9	Very low	31.7	Very low	111 Å²	111	145 Å²	145	68%	0.681	75%	0.745	S	S	*	*			trans	-131.6	-172.8	-172.7	55.8	0	0	0	0	111.2
814	N	32.3	Very low	31.6	Very low	139 Å²	139	138.6 Å²	138.6	74%	0.743	74%	0.74	S	S	*	*			trans	106.5	147.2	168.3	-50.2	-6.8	0	0	0	113
815	D	33.8	Very low	31.6	Very low	132 Å²	132	139 Å²	139	71%	0.706	75%	0.746	S	S	*	*			cis	-152.7	169.2	11.9	-139.8	-28.9	0	0	0	115.8
816	T	35.9	Very low	32	Very low	108 Å²	108	139.1 Å²	139.1	66%	0.663	75%	0.753	S	S	*	*			trans	60.5	107.4	154.5	51.6	0	0	0	0	123.1
817	R	29.4	Very low	32.2	Very low	236 Å²	236	132 Å²	132	89%	0.891	75%	0.748	S	S	*	*				25.6	132.2	120.1	-61.6	172.1	166.1	169.8	-5	120.1
818	S	31.8	Very low	32.5	Very low	114 Å²	114	137.4 Å²	137.4	80%	0.797	76%	0.755	S	S	*	*				168.5	134.7	100.9	-73.8	0	0	0	0	117.3
819	S	31.8	Very low	32.7	Very low	106 Å²	106	140 Å²	140	74%	0.741	76%	0.759	S	S	*	*			trans	65	129.4	136.4	-152.3	0	0	0	0	125.2
820	S	33	Very low	33	Very low	108 Å²	108	139.3 Å²	139.3	76%	0.755	76%	0.759	S	S	*	*			trans	68.4	128.1	134.8	57.1	0	0	0	0	124.6
821	H	31.4	Very low	33.2	Very low	176 Å²	176	139.9 Å²	139.9	82%	0.815	77%	0.766	S	S	*	*			trans	-37.3	150.2	165.1	-59.9	-28.2	0	0	0	121.1
822	H	29.4	Very low	33.4	Very low	175 Å²	175	139.6 Å²	139.6	81%	0.81	77%	0.77	S	S	*	*				18.7	162.3	123.3	-75.9	-36.9	0	0	0	122.3
823	P	43.5	Very low	33.3	Very low	116 Å²	116	135.8 Å²	135.8	75%	0.753	76%	0.764	S	S	*	*			cis	-143.1	-170.2	-18.8	34.3	-12	0	0	0	115.6
824	A	30.1	Very low	33.5	Very low	88 Å²	88	134 Å²	134	73%	0.727	77%	0.768	S	S	*	*			trans	112.8	137.3	131.8	0	0	0	0	0	122.9
825	S	32.5	Very low	33.4	Very low	105 Å²	105	136.8 Å²	136.8	73%	0.734	78%	0.777	S	S	*	*			trans	104.8	139.2	140.5	81.5	0	0	0	0	121.2
826	T	37	Very low	33.3	Very low	149 Å²	149	136.3 Å²	136.3	91%	0.914	78%	0.779	S	S	*	*			trans	63.8	134.8	-179.8	74.2	0	0	0	0	115.3
827	G	33.1	Very low	33.1	Very low	78 Å²	78	137.4 Å²	137.4	80%	0.804	78%	0.78	S	S	*	*			cis	171.6	172.5	-5.3	0	0	0	0	0	109.4
828	R	34.8	Very low	33.1	Very low	204 Å²	204	133.3 Å²	133.3	77%	0.77	77%	0.773	S	S	*	*			cis	-174	145.8	-9.3	-179.2	-172.4	-178.8	-170	2.6	108.6
829	H	33.3	Very low	33	Very low	171 Å²	171	134.5 Å²	134.5	79%	0.792	77%	0.771	S	S	*	*			trans	68.9	141.8	171.6	-74.4	-46.9	0	0	0	116.5
830	V	36.6	Very low	33	Very low	116 Å²	116	134.8 Å²	134.8	70%	0.703	77%	0.773	S	S	*	*			cis	-139	133.8	5.9	-171.5	0	0	0	0	111.3
831	N	34	Very low	32.8	Very low	127 Å²	127	134.5 Å²	134.5	68%	0.679	77%	0.771	S	S	*	*			trans	33.6	141.9	150.3	-52	1.5	0	0	0	123.4
832	F	32.5	Very low	33	Very low	181 Å²	181	132.6 Å²	132.6	79%	0.794	77%	0.772	S	S	*	*			cis	-166.5	139.9	-17.9	-132.4	-87.4	0	0	0	110.6
833	S	33.6	Very low	33.1	Very low	111 Å²	111	134.3 Å²	134.3	78%	0.776	77%	0.773	S	S	*	*			trans	38.6	146.2	155.9	62.7	0	0	0	0	123
834	G	32.9	Very low	32.6	Very low	74 Å²	74	136 Å²	136	76%	0.763	78%	0.775	S	S	*	*			cis	169.2	168.7	2.6	0	0	0	0	0	112.6
835	E	31.2	Very low	32.8	Very low	197 Å²	197	135.1 Å²	135.1	92%	0.921	77%	0.774	S	S	*	*			trans	-102.5	-153.4	-164.7	-59	-178.6	117.7	0	0	114.7
836	T	31.9	Very low	32.8	Very low	122 Å²	122	137.6 Å²	137.6	75%	0.748	78%	0.779	S	S	*	*			trans	-106.8	168.4	-154.6	57.1	0	0	0	0	115.9
837	N	31.3	Very low	32.5	Very low	131 Å²	131	134 Å²	134	70%	0.701	76%	0.761	S	S	*	*			trans	88	120.6	149.1	-75.9	-30.2	0	0	0	122.8
838	M	29.3	Very low	32.5	Very low	150 Å²	150	141.3 Å²	141.3	74%	0.739	76%	0.764	S	S	*	*			trans	63.9	103.5	132.2	-56.7	-63.8	-177.9	0	0	120.9
839	N	30.3	Very low	32.4	Very low	140 Å²	140	142.7 Å²	142.7	75%	0.749	77%	0.769	S	S	*	*				168.7	143.4	92.4	-94.3	-38.9	0	0	0	114.8
840	S	31.2	Very low	32.2	Very low	112 Å²	112	139.2 Å²	139.2	78%	0.783	76%	0.764	S	S	*	*			trans	63.9	157.3	152.4	73.6	0	0	0	0	120
841	S	29.3	Very low	31.9	Very low	102 Å²	102	137.9 Å²	137.9	71%	0.713	76%	0.76	S	S	*	*			cis	-174.4	127.9	-35.4	54.1	0	0	0	0	110.5
842	T	35.1	Very low	31.6	Very low	136 Å²	136	141.9 Å²	141.9	83%	0.834	77%	0.767	S	S	*	*			trans	-166.5	137.2	152.3	16.9	0	0	0	0	111.5
843	Y	30.8	Very low	31.7	Very low	211 Å²	211	139.9 Å²	139.9	83%	0.827	76%	0.763	S	S	*	*			trans	9.7	143	146.1	-67.6	-104	0	0	0	119.3
844	D	34.6	Very low	31.5	Very low	151 Å²	151	138.8 Å²	138.8	81%	0.807	76%	0.755	S	S	*	*			cis	-154.9	174.2	30.5	-136.4	-40	0	0	0	113.4
845	G	33.8	Very low	31.5	Very low	69 Å²	69	144.6 Å²	144.6	71%	0.711	76%	0.76	S	S	*	*			trans	115.3	87.5	159.6	0	0	0	0	0	119.9
846	N	32.3	Very low	31.6	Very low	157 Å²	157	141.8 Å²	141.8	84%	0.84	76%	0.756	S	S	*	*			trans	-49.2	165.6	160.2	-86.8	-51.6	0	0	0	116.1
847	S	31.1	Very low	31.3	Very low	75 Å²	75	146.8 Å²	146.8	52%	0.524	76%	0.761	S	S	.	*			cis	179.2	150	-19.3	-155.2	0	0	0	0	110.7
848	R	33.3	Very low	31.2	Very low	231 Å²	231	145.6 Å²	145.6	87%	0.872	76%	0.763	S	S	*	*			trans	62.5	174.7	156.5	-66.8	159.3	-171.4	-170	2.7	118.1
849	R	31.9	Very low	31.2	Very low	232 Å²	232	142.8 Å²	142.8	88%	0.875	76%	0.758	S	S	*	*			cis	-172.8	121.2	-44.7	-176.6	-179.7	-167.5	-168.4	6	110.5
850	S	29.8	Very low	31	Very low	98 Å²	98	144.2 Å²	144.2	69%	0.685	76%	0.76	S	S	*	*			trans	62.9	126.7	152.5	-159.1	0	0	0	0	122.9
851	S	29.6	Very low	31	Very low	88 Å²	88	148 Å²	148	62%	0.615	77%	0.765	S	S	*	*			trans	68.7	138	133.9	61.2	0	0	0	0	124.6
852	Y	28.6	Very low	31	Very low	212 Å²	212	148.6 Å²	148.6	83%	0.831	77%	0.769	S	S	*	*			trans	104.9	127.3	146.1	-72.2	-61.6	0	0	0	122.5
853	I	33	Very low	31.2	Very low	139 Å²	139	147 Å²	147	71%	0.713	76%	0.761	S	S	*	*			trans	79	83.7	138.5	-62.5	166.2	0	0	0	120.8
854	S	30	Very low	31.1	Very low	87 Å²	87	143.4 Å²	143.4	61%	0.608	76%	0.761	S	S	*	*				63.7	142.9	116.6	90.9	0	0	0	0	124.8
855	K	32.9	Very low	31.4	Very low	197 Å²	197	141.9 Å²	141.9	86%	0.857	76%	0.762	S	S	*	*			trans	73.7	149.3	162.7	-54	170.2	-175.3	175.4	0	114.1
856	V	32.8	Very low	31.3	Very low	138 Å²	138	147.4 Å²	147.4	84%	0.836	77%	0.77	S	S	*	*			cis	-130.4	169.9	14.5	179.7	0	0	0	0	110.9
857	R	27.3	Very low	31.6	Very low	226 Å²	226	148.1 Å²	148.1	85%	0.853	77%	0.774	S	S	*	*			trans	-61.2	157.4	171.2	-64.9	173.7	167.8	162	-6.3	113.5
858	S	29.2	Very low	31.5	Very low	106 Å²	106	153 Å²	153	74%	0.741	79%	0.785	S	S	*	*				176	133.7	101.2	-87.2	0	0	0	0	116.5
859	S	28.3	Very low	31.7	Very low	91 Å²	91	148.2 Å²	148.2	64%	0.636	78%	0.782	S	S	*	*			trans	43.1	133.6	143.2	59.9	0	0	0	0	124.1
860	E	26.2	Very low	31.6	Very low	171 Å²	171	143.2 Å²	143.2	80%	0.799	77%	0.773	S	S	*	*			trans	70.9	126.1	140.6	-70.3	160.5	-140.6	0	0	120.8
861	H	30.6	Very low	31.8	Very low	191 Å²	191	149.6 Å²	149.6	88%	0.884	78%	0.783	S	S	*	*				-159.9	141.3	115.8	-106.4	59.5	0	0	0	112.1
862	S	29	Very low	31.9	Very low	114 Å²	114	151 Å²	151	80%	0.797	79%	0.788	S	S	*	*			trans	-178.3	168.3	176.4	-79	0	0	0	0	106.8
863	P	41.1	Very low	32.2	Very low	104 Å²	104	146.8 Å²	146.8	68%	0.675	79%	0.785	S	S	*	*			cis	-138.9	-171.1	10.9	36.6	-14.3	0	0	0	115.5
864	T	27.9	Very low	32.3	Very low	134 Å²	134	145.2 Å²	145.2	82%	0.822	79%	0.786	S	S	*	*			trans	59.5	138.5	147.9	45.7	0	0	0	0	122.8
865	S	41	Very low	32.4	Very low	119 Å²	119	145.2 Å²	145.2	83%	0.832	80%	0.8	S	S	*	*			trans	-134.1	141	148	57.5	0	0	0	0	109.5
866	E	30.6	Very low	32.5	Very low	185 Å²	185	139.4 Å²	139.4	86%	0.864	80%	0.796	S	S	*	*			trans	-90.1	160.5	-179.8	-60.6	-174.9	121.3	0	0	112.7
867	N	38.8	Very low	32.6	Very low	173 Å²	173	138.8 Å²	138.8	93%	0.925	79%	0.792	S	S	*	*			trans	-153.5	144.8	152.7	-117.5	-26.6	0	0	0	109.8
868	K	30	Very low	32.8	Very low	177 Å²	177	138.4 Å²	138.4	77%	0.77	79%	0.791	S	S	*	*			trans	-160.2	136.7	-168.9	-161.2	176.1	-172.9	176.3	0	112.9
869	T	37.1	Very low	32.9	Very low	131 Å²	131	139.7 Å²	139.7	80%	0.804	79%	0.785	S	S	*	*			trans	149.3	150.7	160.2	36.2	0	0	0	0	108.4
870	D	30.3	Very low	33.1	Very low	127 Å²	127	143.2 Å²	143.2	68%	0.679	78%	0.784	S	S	*	*			cis	-170.8	136.4	-39.4	-105.8	-10.2	0	0	0	106.4
871	Y	33.4	Very low	33.3	Very low	231 Å²	231	144 Å²	144	91%	0.906	78%	0.78	S	S	*	*			trans	-160.8	130.7	150.9	-103.5	-67.1	0	0	0	111.8
872	T	32.9	Very low	33.2	Very low	117 Å²	117	143.4 Å²	143.4	72%	0.718	78%	0.777	S	S	*	*			trans	-31.2	142.1	169.2	56.4	0	0	0	0	115.4
873	T	34.3	Very low	33.5	Very low	124 Å²	124	145.3 Å²	145.3	76%	0.761	78%	0.777	S	S	*	*				-176	148.1	64.5	-68.8	0	0	0	0	110.4
874	S	35.2	Very low	33.1	Very low	106 Å²	106	150.1 Å²	150.1	74%	0.741	78%	0.782	S	S	*	*			cis	-169.8	128.4	-31.9	61.5	0	0	0	0	111.4
875	G	32.3	Very low	33.2	Very low	88 Å²	88	150.4 Å²	150.4	91%	0.907	77%	0.774	S	S	*	*			trans	92	143.6	159.6	0	0	0	0	0	117.1
876	G	33.6	Very low	32.9	Very low	74 Å²	74	156.9 Å²	156.9	76%	0.763	78%	0.78	S	S	*	*			cis	178.9	173.2	-4.5	0	0	0	0	0	110.4
877	V	34.7	Very low	33	Very low	125 Å²	125	155.5 Å²	155.5	76%	0.758	78%	0.779	S	S	*	*			cis	-152.9	130.3	4.6	170.2	0	0	0	0	109.8
878	R	32.6	Very low	33	Very low	219 Å²	219	153 Å²	153	83%	0.826	77%	0.772	S	S	*	*			trans	48	132.5	155	-65.8	173	176.8	150.7	0.4	120.5
879	E	30.8	Very low	33.3	Very low	133 Å²	133	150.6 Å²	150.6	62%	0.621	77%	0.774	S	S	*	*				70	139	56.5	-66.9	-156.9	133.6	0	0	114.5
880	R	31.9	Very low	33	Very low	164 Å²	164	151.7 Å²	151.7	62%	0.619	77%	0.77	S	S	*	*			cis	-163.6	145.8	9.6	-122.4	174.3	-161.7	175.6	21.9	114.1
881	R	31	Very low	33	Very low	188 Å²	188	154.9 Å²	154.9	71%	0.709	77%	0.773	S	S	*	*			trans	50.8	115.9	140.6	-67	167.4	-168.8	178.3	2.3	123.4
882	H	29.4	Very low	32.8	Very low	178 Å²	178	150.5 Å²	150.5	82%	0.824	77%	0.77	S	S	*	*				36.8	137.2	128.7	-58.6	-76.8	0	0	0	124
883	I	34.5	Very low	32.7	Very low	154 Å²	154	152.2 Å²	152.2	79%	0.79	77%	0.774	S	S	*	*				-170.4	138.9	112	-97.7	157.7	0	0	0	110.3
884	R	33.2	Very low	32.4	Very low	205 Å²	205	151.6 Å²	151.6	77%	0.774	77%	0.774	S	S	*	*			trans	38.6	151.2	158.2	-73.3	-174.2	128.9	115.9	16.2	121.7
885	E	30.6	Very low	32.2	Very low	140 Å²	140	152.3 Å²	152.3	65%	0.654	78%	0.779	S	S	*	*			cis	-177.3	122.2	-20.3	-116.8	173.2	174.4	0	0	106.1
886	R	33.1	Very low	32.1	Very low	255 Å²	255	157.3 Å²	157.3	96%	0.962	78%	0.776	S	S	*	*			trans	179.9	146.7	150.2	-101.9	161.1	-162.2	-129.8	2.2	111.6
887	N	33.8	Very low	31.8	Very low	157 Å²	157	158.4 Å²	158.4	84%	0.84	77%	0.772	S	S	*	*			trans	-86.7	172.9	-177.9	-69.1	-32	0	0	0	112.4
888	P	39.4	Very low	31.6	Very low	120 Å²	120	162.1 Å²	162.1	78%	0.779	78%	0.778	S	S	*	*			cis	-124	170.6	-6	24.4	-2.4	0	0	0	114.4
889	P	34.9	Very low	31.3	Very low	127 Å²	127	156 Å²	156	83%	0.825	77%	0.769	S	S	*	*			trans	-96.6	158.9	176.3	37.7	-33.8	0	0	0	113.9
890	E	30.6	Very low	31.2	Very low	153 Å²	153	155.6 Å²	155.6	72%	0.715	78%	0.776	S	S	*	*			trans	-127.9	151.3	160.3	-149	-158.1	-101.9	0	0	110.6
891	R	30.9	Very low	31	Very low	195 Å²	195	154.2 Å²	154.2	74%	0.736	79%	0.785	S	S	*	*			trans	63.2	84.2	156.3	-153.1	176.1	-57	-149.2	2.2	118.4
892	V	28.9	Very low	30.8	Very low	139 Å²	139	149.9 Å²	149.9	84%	0.842	78%	0.784	S	S	*	*			trans	-98.8	126.5	147.2	175.9	0	0	0	0	108.1
893	L	31.1	Very low	30.7	Very low	153 Å²	153	148.5 Å²	148.5	80%	0.801	78%	0.782	S	S	*	*			trans	-95.5	133.3	164.9	-75.5	174.1	0	0	0	109.5
894	S	27.4	Very low	30.4	Very low	110 Å²	110	148.9 Å²	148.9	77%	0.769	79%	0.785	S	S	*	*			trans	-152.7	131	172.9	177	0	0	0	0	109.2
895	S	32.2	Very low	30.1	Very low	121 Å²	121	148.4 Å²	148.4	85%	0.846	79%	0.788	S	S	*	*			trans	-157.3	118	157.6	47.8	0	0	0	0	110.7
896	K	28.8	Very low	29.8	Very low	193 Å²	193	149.9 Å²	149.9	84%	0.839	80%	0.795	S	S	*	*			trans	-100.9	142.6	144.8	-76.7	-172.8	174.4	-175.6	0	107
897	S	29	Very low	29.6	Very low	98 Å²	98	147.8 Å²	147.8	69%	0.685	79%	0.787	S	S	*	*			trans	23.8	122.9	152.3	59.3	0	0	0	0	119.2
898	F	29.6	Very low	29.3	Very low	203 Å²	203	150.7 Å²	150.7	89%	0.89	79%	0.787	S	S	*	*				-158.7	160.8	116.4	-115.3	-75.1	0	0	0	111.5
899	S	25.9	Very low	28.7	Very low	89 Å²	89	153.9 Å²	153.9	62%	0.622	79%	0.793	S	S	*	*			trans	-94.2	174.4	174	52.3	0	0	0	0	111.9
900	T	28.4	Very low	28.4	Very low	126 Å²	126	153.4 Å²	153.4	77%	0.773	79%	0.793	S	S	*	*			trans	77.5	118.1	168.5	-15.5	0	0	0	0	116.3
901	V	29.3	Very low	28.3	Very low	135 Å²	135	153 Å²	153	82%	0.818	80%	0.795	S	S	*	*				174.4	136.1	111	152.7	0	0	0	0	109
902	S	25.1	Very low	28.3	Very low	96 Å²	96	153 Å²	153	67%	0.671	80%	0.803	S	S	*	*			trans	-82.5	171.8	171.3	-59.3	0	0	0	0	111.5
903	D	27.3	Very low	28.3	Very low	149 Å²	149	153.6 Å²	153.6	80%	0.797	80%	0.802	S	S	*	*			trans	67.7	93.3	162.9	-47.8	-29.2	0	0	0	116.5
904	I	28.5	Very low	28.1	Very low	163 Å²	163	151.1 Å²	151.1	84%	0.836	80%	0.798	S	S	*	*				-173.5	103.6	104.9	-85.1	149	0	0	0	108.2
905	F	26.2	Very low	28.2	Very low	195 Å²	195	150.1 Å²	150.1	86%	0.855	79%	0.791	S	S	*	*			trans	-158.5	71.3	144.1	-145	-90.5	0	0	0	112.2
906	E	26	Very low	28	Very low	170 Å²	170	154.6 Å²	154.6	79%	0.794	79%	0.79	S	S	*	*			trans	-102.9	154.9	160.5	-152.5	-166.2	-122.2	0	0	109.4
907	R	28.9	Very low	27.9	Very low	211 Å²	211	151.6 Å²	151.6	80%	0.796	79%	0.788	S	S	*	*			trans	68.6	90.7	-180	-55.5	178.9	166.6	-143.6	-6.3	117.1
908	R	26.8	Very low	28	Very low	219 Å²	219	152.4 Å²	152.4	83%	0.826	79%	0.79	S	S	*	*				-178.3	101.7	98	-100.3	178.4	170.3	154	-2.5	112.5
909	M	26.6	Very low	28	Very low	187 Å²	187	149.7 Å²	149.7	92%	0.921	78%	0.784	S	S	*	*			trans	-153	80.3	155.6	-93.7	-58.2	176	0	0	108.4
910	S	29.5	Very low	28.3	Very low	116 Å²	116	152.1 Å²	152.1	81%	0.811	79%	0.79	S	S	*	*			trans	-164.9	65.5	175.4	-76.1	0	0	0	0	110.5
911	D	26.9	Very low	28.4	Very low	144 Å²	144	151.2 Å²	151.2	77%	0.77	79%	0.789	S	S	*	*			trans	-140.2	59.9	174.7	-88.9	-52.7	0	0	0	111
912	H	31.4	Very low	28.5	Very low	195 Å²	195	148.5 Å²	148.5	90%	0.903	79%	0.789	S	S	*	*			trans	-143.8	93.4	164.4	-90.4	-21.5	0	0	0	111.2
913	N	28.4	Very low	28.7	Very low	152 Å²	152	155.9 Å²	155.9	81%	0.813	80%	0.802	S	S	*	*			trans	-135.6	104.3	152.8	-166.2	5.8	0	0	0	108.4
914	S	27.9	Very low	28.9	Very low	102 Å²	102	152.9 Å²	152.9	71%	0.713	79%	0.792	S	S	*	*			trans	-117.5	76.5	-177.3	-173.4	0	0	0	0	109.4
915	S	29.8	Very low	29	Very low	89 Å²	89	153.2 Å²	153.2	62%	0.622	79%	0.79	S	S	*	*			trans	-92.1	102.8	173.6	58.7	0	0	0	0	110.1
916	Y	27.8	Very low	29.2	Very low	214 Å²	214	154.5 Å²	154.5	84%	0.839	79%	0.791	S	S	*	*			trans	-59.6	135.7	165	-80.3	-97.8	0	0	0	110.1
917	T	27.6	Very low	29.4	Very low	130 Å²	130	151.1 Å²	151.1	80%	0.798	79%	0.786	S	S	*	*			trans	-132.6	136.2	162	55.8	0	0	0	0	109.8
918	T	29.9	Very low	29.9	Very low	116 Å²	116	146.8 Å²	146.8	71%	0.712	79%	0.786	S	S	*	*			trans	-135.4	134	167.8	49.4	0	0	0	0	108.5
919	N	30.5	Very low	30	Very low	146 Å²	146	142.5 Å²	142.5	78%	0.781	79%	0.789	S	S	*	*			trans	72.3	139.1	170.9	-44.1	-33.1	0	0	0	114.9
920	N	30.8	Very low	30.1	Very low	140 Å²	140	138.1 Å²	138.1	75%	0.749	78%	0.777	S	S	*	*			cis	-151.7	153.5	-2.5	-142.1	-8.3	0	0	0	114.3
921	S	31.8	Very low	29.8	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	78%	0.778	S	S	*	*			trans	23.5	120	152.3	60.1	0	0	0	0	120.8
922	G	31	Very low	29.9	Very low	78 Å²	78	141.5 Å²	141.5	80%	0.804	78%	0.776	S	S	*	*			trans	-142.4	-31.1	-177.6	0	0	0	0	0	121.3
923	R	29.4	Very low	29.6	Very low	250 Å²	250	139 Å²	139	94%	0.943	77%	0.769	S	S	*	*			trans	75.2	147.7	179.6	-163.3	176.3	-173.8	173.7	2.9	117.7
924	S	30.5	Very low	29.7	Very low	86 Å²	86	137.8 Å²	137.8	60%	0.601	77%	0.767	S	S	*	*			trans	-24	162.8	166	-77.6	0	0	0	0	120.5
925	E	30.5	Very low	29.7	Very low	171 Å²	171	138.2 Å²	138.2	80%	0.799	76%	0.762	S	S	*	*			cis	-152.2	178.6	20.5	-139.7	123.8	-106.5	0	0	115.1
926	Y	31.4	Very low	29.8	Very low	222 Å²	222	141.5 Å²	141.5	87%	0.871	77%	0.765	S	S	*	*			trans	-72	168.9	174.1	-80.3	-126.8	0	0	0	112.2
927	S	29.6	Very low	29.8	Very low	99 Å²	99	139.2 Å²	139.2	69%	0.692	76%	0.76	S	S	*	*			cis	-163.7	173.8	-6.3	-112.9	0	0	0	0	109.6
928	P	39.6	Very low	30	Very low	120 Å²	120	141.5 Å²	141.5	78%	0.779	76%	0.759	S	S	*	*			trans	-98.8	150.2	-167.7	37.2	-35.3	0	0	0	116.7
929	S	29.1	Very low	29.8	Very low	128 Å²	128	142.3 Å²	142.3	90%	0.895	76%	0.759	S	S	*	*			trans	-166.2	-177.5	142.1	58	0	0	0	0	111.7
930	S	28.3	Very low	29.7	Very low	96 Å²	96	140.9 Å²	140.9	67%	0.671	76%	0.756	S	S	*	*			trans	-106.9	168.9	-149.2	49.9	0	0	0	0	117.9
931	Y	24.6	Very low	29.6	Very low	211 Å²	211	140.2 Å²	140.2	83%	0.827	76%	0.757	S	S	*	*			trans	95.9	141.1	150.9	-80.8	-66.9	0	0	0	123.4
932	T	27.7	Very low	29.7	Very low	120 Å²	120	140.4 Å²	140.4	74%	0.736	75%	0.753	S	S	*	*			trans	67.6	89.1	153.4	46.3	0	0	0	0	122.2
933	N	25	Very low	29.6	Very low	143 Å²	143	143.2 Å²	143.2	77%	0.765	75%	0.75	S	S	*	*				45.3	115.8	103.5	-179.9	25.1	0	0	0	120.4
934	T	30	Very low	29.6	Very low	125 Å²	125	137 Å²	137	77%	0.767	74%	0.74	S	S	*	*			trans	-155.5	122.9	136.3	39.3	0	0	0	0	115.2
935	N	28.9	Very low	29.7	Very low	112 Å²	112	138.7 Å²	138.7	60%	0.599	75%	0.747	S	S	*	*			trans	52.4	116.4	131.2	-71.7	-58.3	0	0	0	124.3
936	K	31.8	Very low	29.9	Very low	157 Å²	157	136.1 Å²	136.1	68%	0.683	75%	0.748	S	S	*	*				83	133.1	114.9	-72.8	175.5	177	177.4	0	123.8
937	F	27.4	Very low	30	Very low	167 Å²	167	128.4 Å²	128.4	73%	0.732	74%	0.736	S	S	*	*			trans	65.6	150.8	152.6	-60.5	-53.3	0	0	0	117.4
938	F	31.5	Very low	30.3	Very low	178 Å²	178	130.3 Å²	130.3	78%	0.781	74%	0.743	S	S	*	*			cis	-137.4	171.2	12	-123.3	-75.2	0	0	0	112.9
939	N	26.4	Very low	29.9	Very low	132 Å²	132	131.7 Å²	131.7	71%	0.706	74%	0.744	S	S	*	*			trans	-70.6	177.1	171.6	-59.9	-17.2	0	0	0	112.6
940	T	28.7	Very low	30.1	Very low	117 Å²	117	129.7 Å²	129.7	72%	0.718	74%	0.736	S	S	*	*			cis	-171.7	149	7.7	-1.9	0	0	0	0	111.1
941	T	29.6	Very low	30.4	Very low	126 Å²	126	131 Å²	131	77%	0.773	74%	0.74	S	S	*	*			trans	49.5	167	149.3	7.5	0	0	0	0	120.5
942	T	32.8	Very low	30.7	Very low	110 Å²	110	126.6 Å²	126.6	68%	0.675	74%	0.735	S	S	*	*			cis	-148.5	154.4	10.7	51.4	0	0	0	0	113.1
943	N	28.9	Very low	30.8	Very low	138 Å²	138	126.1 Å²	126.1	74%	0.738	73%	0.732	S	S	*	*			trans	44.6	151.2	132.1	-57.5	4.8	0	0	0	122.9
944	T	28.9	Very low	31.1	Very low	119 Å²	119	127.3 Å²	127.3	73%	0.73	73%	0.733	S	S	*	*			cis	-170.9	172.6	-10.9	27.4	0	0	0	0	110
945	T	33.7	Very low	30.9	Very low	121 Å²	121	127.5 Å²	127.5	74%	0.742	73%	0.729	S	S	*	*			trans	109.7	106.9	143.9	-53.3	0	0	0	0	120.2
946	S	34.7	Very low	30.8	Very low	117 Å²	117	128.8 Å²	128.8	82%	0.818	73%	0.732	S	S	*	*			trans	46.2	142.7	151.6	67.5	0	0	0	0	122.8
947	G	31.9	Very low	30.7	Very low	61 Å²	61	126.9 Å²	126.9	63%	0.629	73%	0.729	S	S	*	*			cis	166.7	174.6	-2.1	0	0	0	0	0	113.8
948	T	36.8	Very low	30.8	Very low	138 Å²	138	125.5 Å²	125.5	85%	0.847	73%	0.729	S	S	*	*			trans	58.6	137.2	175	53.3	0	0	0	0	117.6
949	N	32.3	Very low	30.7	Very low	149 Å²	149	122.8 Å²	122.8	80%	0.797	73%	0.727	S	S	*	*			cis	-136.7	170.4	13	-96.8	-34.3	0	0	0	113.8
950	A	31.8	Very low	30.8	Very low	87 Å²	87	126.1 Å²	126.1	72%	0.719	74%	0.735	S	S	*	*			trans	-23.8	156	175.6	0	0	0	0	0	119.7
951	T	34.5	Very low	30.9	Very low	122 Å²	122	123.9 Å²	123.9	75%	0.748	74%	0.735	S	S	*	*			cis	-155.3	144.1	31.3	-39.8	0	0	0	0	113.2
952	T	31.4	Very low	30.7	Very low	120 Å²	120	125.9 Å²	125.9	74%	0.736	74%	0.739	S	S	*	*			trans	28.3	100.4	157.1	-51.4	0	0	0	0	118.6
953	V	30.1	Very low	30.6	Very low	110 Å²	110	128.7 Å²	128.7	67%	0.667	75%	0.748	S	S	*	*				74	94.5	75.4	173.3	0	0	0	0	112.7
954	Q	30.2	Very low	30.5	Very low	167 Å²	167	130.3 Å²	130.3	78%	0.78	75%	0.751	S	S	*	*				78.7	137.4	108.5	-69.3	175	-23.9	0	0	114.6
955	N	25.8	Very low	30.4	Very low	129 Å²	129	136.4 Å²	136.4	69%	0.69	76%	0.761	S	S	*	*				65	136.1	54.7	-66.1	39.3	0	0	0	111
956	E	27.2	Very low	30.3	Very low	140 Å²	140	136 Å²	136	65%	0.654	76%	0.761	S	S	*	*			cis	-166.7	174.9	13.3	-130.9	168.7	-116.1	0	0	112.9
957	N	29.6	Very low	29.9	Very low	116 Å²	116	137.1 Å²	137.1	62%	0.62	76%	0.762	S	S	*	*			trans	73.1	117.4	147.7	-60.5	-22.2	0	0	0	124.1
958	D	30.8	Very low	30	Very low	139 Å²	139	139.1 Å²	139.1	74%	0.743	77%	0.767	S	S	*	*				112	94.3	117.1	-76.7	-8.1	0	0	0	124.6
959	V	28.3	Very low	29.8	Very low	121 Å²	121	144.3 Å²	144.3	73%	0.733	77%	0.771	S	S	*	*				22.6	117.3	123.1	-160.4	0	0	0	0	120.3
960	K	29.5	Very low	29.8	Very low	202 Å²	202	145.9 Å²	145.9	88%	0.878	77%	0.771	S	S	*	*				169.3	151.5	124.7	-95	162.5	-172.3	169.8	0	114.7
961	G	30.2	Very low	29.8	Very low	69 Å²	69	148.8 Å²	148.8	71%	0.711	77%	0.774	S	S	*	*			trans	77.6	130.5	166.1	0	0	0	0	0	114.8
962	I	25.5	Very low	29.7	Very low	168 Å²	168	149.5 Å²	149.5	86%	0.862	77%	0.768	S	S	*	*			cis	65.3	84.3	27.4	-43.2	178.9	0	0	0	114.3
963	I	29.9	Very low	29.5	Very low	170 Å²	170	152.8 Å²	152.8	87%	0.872	78%	0.775	S	S	*	*			trans	-140.4	143	145.3	-65.3	-170.7	0	0	0	107.9
964	Q	27.4	Very low	29.4	Very low	172 Å²	172	152 Å²	152	80%	0.804	78%	0.775	S	S	*	*			trans	-81.7	161.6	-177.3	-62.5	148.9	-61.4	0	0	113.3
965	R	27.4	Very low	29.6	Very low	246 Å²	246	150.7 Å²	150.7	93%	0.928	78%	0.778	S	S	*	*			trans	-137.8	114.1	151.9	-77.6	-168.4	173.9	-152.2	-0.9	109.8
966	P	30.6	Very low	29.7	Very low	113 Å²	113	152.8 Å²	152.8	73%	0.734	78%	0.784	S	S	*	*			trans	-94.7	130	171.5	33.9	-29.3	0	0	0	111.3
967	T	27.5	Very low	29.8	Very low	140 Å²	140	154.1 Å²	154.1	86%	0.859	80%	0.795	S	S	*	*			trans	-143.9	99.3	164.6	50.6	0	0	0	0	109.6
968	S	32.4	Very low	29.9	Very low	104 Å²	104	153.9 Å²	153.9	73%	0.727	80%	0.797	S	S	*	*			trans	-158.5	128.8	175.6	54.7	0	0	0	0	110.5
969	R	34	Very low	29.6	Very low	247 Å²	247	154.9 Å²	154.9	93%	0.932	80%	0.803	S	S	*	*			trans	-88.5	150.3	153.1	-79	178.1	167.2	151.6	-6.2	108.5
970	F	31.8	Very low	29.6	Very low	181 Å²	181	155.7 Å²	155.7	79%	0.794	81%	0.808	S	S	*	*			trans	-68	171.5	169	-79.2	-95.4	0	0	0	109.8
971	L	32.8	Very low	29.5	Very low	149 Å²	149	151.9 Å²	151.9	78%	0.78	81%	0.807	S	S	*	*			cis	-130.9	170.9	27.7	-75.1	76.8	0	0	0	110.9
972	H	30.8	Very low	29.4	Very low	136 Å²	136	154.2 Å²	154.2	63%	0.63	81%	0.812	S	S	*	*			cis	-158.5	146.7	-9.7	-127.4	38.8	0	0	0	108.1
973	Q	28.1	Very low	29.5	Very low	189 Å²	189	154.3 Å²	154.3	88%	0.883	82%	0.815	S	S	*	*			trans	-158.6	111.6	137.4	-155.2	169.4	52.8	0	0	110.1
974	S	28.3	Very low	29.4	Very low	95 Å²	95	150.9 Å²	150.9	66%	0.664	81%	0.806	S	S	*	*			trans	-102.9	120.9	-179.4	-58.8	0	0	0	0	110.3
975	T	32.7	Very low	29.4	Very low	138 Å²	138	148.4 Å²	148.4	85%	0.847	81%	0.808	S	S	*	*			trans	-125.2	137.2	161.4	46.2	0	0	0	0	109.4
976	Q	29.9	Very low	29.4	Very low	174 Å²	174	142.1 Å²	142.1	81%	0.813	80%	0.801	S	S	*	*			trans	-90.9	135.9	-170.9	-58.6	172.4	-3.2	0	0	111.8
977	L	29.2	Very low	29.4	Very low	167 Å²	167	143.2 Å²	143.2	87%	0.874	81%	0.806	S	S	*	*			trans	-153.9	96.4	139.5	-77.9	-171.5	0	0	0	106.2
978	V	31.2	Very low	29.5	Very low	111 Å²	111	142.7 Å²	142.7	67%	0.673	81%	0.805	S	S	*	*				60.1	105.7	77.6	-176.2	0	0	0	0	112.3
979	N	23.5	Very low	29.2	Very low	161 Å²	161	143.4 Å²	143.4	86%	0.861	81%	0.805	S	S	*	*			trans	-74.8	136.8	170.5	-77.1	-38.3	0	0	0	111.5
980	T	29.4	Very low	28.8	Very low	138 Å²	138	142 Å²	142	85%	0.847	80%	0.801	S	S	*	*			trans	-138.1	135.8	147.4	51.9	0	0	0	0	109.9
981	S	25.9	Very low	28.5	Very low	121 Å²	121	137 Å²	137	85%	0.846	79%	0.788	S	S	*	*			trans	-87.4	157.6	-174.4	48.3	0	0	0	0	113.5
982	S	30	Very low	28.1	Very low	119 Å²	119	140.6 Å²	140.6	83%	0.832	79%	0.792	S	S	*	*			trans	-138.3	99.5	165.3	50	0	0	0	0	110.9
983	N	25.7	Very low	27.9	Very low	170 Å²	170	140.5 Å²	140.5	91%	0.909	80%	0.796	S	S	*	*			trans	-96.8	105.4	177.6	-122	-2.6	0	0	0	109.9
984	S	29.4	Very low	28.2	Very low	98 Å²	98	136.2 Å²	136.2	69%	0.685	79%	0.785	S	S	*	*			trans	-177.7	101.6	156.2	53.8	0	0	0	0	109.5
985	S	25.8	Very low	28.2	Very low	120 Å²	120	136.1 Å²	136.1	84%	0.839	78%	0.784	S	S	*	*				73.6	79.2	69.6	77.8	0	0	0	0	114.7
986	S	29.1	Very low	28	Very low	114 Å²	114	137.9 Å²	137.9	80%	0.797	78%	0.783	S	S	*	*			trans	-154.7	96.4	158.6	63.5	0	0	0	0	112.9
987	T	29	Very low	28	Very low	136 Å²	136	137 Å²	137	83%	0.834	78%	0.782	S	S	*	*			trans	-109.4	150.9	144.9	57.6	0	0	0	0	107
988	P	30	Very low	27.9	Very low	129 Å²	129	134.6 Å²	134.6	84%	0.838	77%	0.774	S	S	*	*				-141.7	177.7	91.1	37.3	-21.5	0	0	0	114
989	T	26.4	Very low	27.7	Very low	119 Å²	119	134.1 Å²	134.1	73%	0.73	78%	0.776	S	S	*	*			trans	-118	149	-170.8	47.4	0	0	0	0	113.4
990	Y	25.8	Very low	27.8	Very low	217 Å²	217	133.6 Å²	133.6	85%	0.851	77%	0.773	S	S	*	*			trans	-93.4	123.1	147.7	-86.8	-91.1	0	0	0	106.5
991	S	24.9	Very low	27.7	Very low	75 Å²	75	131.6 Å²	131.6	52%	0.524	77%	0.765	S	S	.	*			cis	74.6	98.1	15.8	170.7	0	0	0	0	117.1
992	W	25.7	Very low	27.8	Very low	226 Å²	226	132.8 Å²	132.8	86%	0.856	76%	0.761	S	S	*	*			trans	-163.1	111.1	139.5	-75	100.7	0	0	0	104.8
993	N	26	Very low	27.8	Very low	133 Å²	133	134.1 Å²	134.1	71%	0.711	76%	0.759	S	S	*	*			cis	74.5	145.2	28.4	-132.4	29.5	0	0	0	112.6
994	P	34.8	Very low	28.1	Very low	100 Å²	100	131.9 Å²	131.9	65%	0.649	75%	0.751	S	S	*	*			cis	-144.6	-176.4	24.7	44.5	-24.7	0	0	0	119.8
995	S	28.4	Very low	28.1	Very low	93 Å²	93	133.5 Å²	133.5	65%	0.65	76%	0.758	S	S	*	*			trans	81.8	109	155.2	-58.7	0	0	0	0	118.7
996	Q	28.4	Very low	28.3	Very low	175 Å²	175	134.2 Å²	134.2	82%	0.818	76%	0.757	S	S	*	*				68.3	124.3	90.8	-72.4	-171.6	13	0	0	113.4
997	I	29.5	Very low	28.4	Very low	156 Å²	156	131.6 Å²	131.6	80%	0.8	75%	0.748	S	S	*	*				-151.9	-169.9	51.2	-114.2	141.9	0	0	0	112.7
998	T	26.3	Very low	28.6	Very low	116 Å²	116	132.7 Å²	132.7	71%	0.712	75%	0.747	S	S	*	*			trans	-92.1	161.1	-160.4	56.7	0	0	0	0	118.7
999	S	27.7	Very low	28.7	Very low	100 Å²	100	132.8 Å²	132.8	70%	0.699	74%	0.74	S	S	*	*			trans	69.7	124.7	136.8	60.5	0	0	0	0	123.5
1000	N	25.8	Very low	29.1	Very low	150 Å²	150	133.5 Å²	133.5	80%	0.802	74%	0.739	S	S	*	*			trans	57.2	119.1	142.1	-79.5	10.9	0	0	0	123.6
1001	S	27.2	Very low	29.4	Very low	96 Å²	96	128.2 Å²	128.2	67%	0.671	73%	0.734	S	S	*	*			trans	71.9	132.4	132	67.5	0	0	0	0	122.5
1002	N	28.7	Very low	30	Very low	146 Å²	146	128.6 Å²	128.6	78%	0.781	74%	0.742	S	S	*	*			trans	81.6	109.9	148.5	-59.9	-11.4	0	0	0	121.2
1003	N	29.2	Very low	30.4	Very low	147 Å²	147	129.7 Å²	129.7	79%	0.786	75%	0.746	S	S	*	*			trans	55.5	114.2	139.5	-71.1	2.3	0	0	0	123.3
1004	V	31	Very low	30.7	Very low	123 Å²	123	126.2 Å²	126.2	75%	0.745	74%	0.742	S	S	*	*				43.3	117.6	117.7	-171.7	0	0	0	0	118.4
1005	T	29.4	Very low	30.7	Very low	133 Å²	133	128.1 Å²	128.1	82%	0.816	75%	0.751	S	S	*	*				-166.3	146.6	106.6	-70.5	0	0	0	0	112.1
1006	T	31.7	Very low	30.8	Very low	134 Å²	134	128.9 Å²	128.9	82%	0.822	76%	0.756	S	S	*	*			trans	-66	163	-174	54	0	0	0	0	117
1007	G	30.9	Very low	31.1	Very low	60 Å²	60	126.3 Å²	126.3	62%	0.619	75%	0.752	S	S	*	*			trans	-169	123	149.8	0	0	0	0	0	116.8
1008	I	32.6	Very low	31.2	Very low	159 Å²	159	125.7 Å²	125.7	82%	0.815	75%	0.751	S	S	*	*				71.9	126.5	128.6	-67.3	170.2	0	0	0	117.6
1009	L	33.1	Very low	31.6	Very low	130 Å²	130	127.9 Å²	127.9	68%	0.681	76%	0.758	S	S	*	*			cis	-164	154.3	-0.6	-104.5	178.6	0	0	0	113
1010	N	34	Very low	31.7	Very low	134 Å²	134	128.9 Å²	128.9	72%	0.717	75%	0.751	S	S	*	*			trans	70.6	150.5	138.8	-80.6	-12.8	0	0	0	124.2
1011	S	33.1	Very low	32.2	Very low	106 Å²	106	129.1 Å²	129.1	74%	0.741	75%	0.753	S	S	*	*			cis	-166.3	178.9	-16.9	-152.6	0	0	0	0	114.1
1012	A	37.3	Very low	32.4	Very low	83 Å²	83	131.2 Å²	131.2	69%	0.686	76%	0.757	S	S	*	*			trans	81.3	146.8	175	0	0	0	0	0	116.1
1013	R	33.8	Very low	32.6	Very low	250 Å²	250	128.4 Å²	128.4	94%	0.943	75%	0.748	S	S	*	*			cis	-163.6	157.6	-9.7	-118.2	174.8	-179.5	166.8	-0.6	108.3
1014	G	32.6	Very low	32.6	Very low	60 Å²	60	128.1 Å²	128.1	62%	0.619	75%	0.747	S	S	*	*			cis	159.5	136.3	-16.5	0	0	0	0	0	113.9
1015	V	34.7	Very low	32.8	Very low	140 Å²	140	128.4 Å²	128.4	85%	0.848	74%	0.744	S	S	*	*			trans	69.1	132.5	167.8	-149	0	0	0	0	114.8
1016	S	29.3	Very low	33	Very low	108 Å²	108	129 Å²	129	76%	0.755	74%	0.742	S	S	*	*			cis	84.3	155.3	29.4	-135.5	0	0	0	0	114.3
1017	T	35.8	Very low	33.1	Very low	121 Å²	121	127 Å²	127	74%	0.742	73%	0.734	S	S	*	*			cis	-141	171.2	15.6	56.1	0	0	0	0	113.3
1018	N	30.7	Very low	33.3	Very low	143 Å²	143	130 Å²	130	77%	0.765	74%	0.74	S	S	*	*			trans	-70.3	150.6	176.2	-72.5	2.5	0	0	0	115.4
1019	N	34.9	Very low	33.3	Very low	162 Å²	162	129.3 Å²	129.3	87%	0.866	74%	0.738	S	S	*	*			trans	-162.4	165.2	139.5	-143.4	-15.2	0	0	0	113
1020	H	30.9	Very low	33.2	Very low	121 Å²	121	126.9 Å²	126.9	56%	0.56	73%	0.732	S	S	*	*			trans	-80	150.2	-178.6	-68.9	-21.7	0	0	0	115.3	T741	T741-H1020 PolarHBondContact OG1-CE1 2.72Å
1021	N	34.9	Very low	33.3	Very low	155 Å²	155	125.7 Å²	125.7	83%	0.829	73%	0.73	S	S	*	*				175.7	117.3	114	-93	-35.9	0	0	0	116.4
1022	N	31.2	Very low	33.3	Very low	141 Å²	141	126.4 Å²	126.4	75%	0.754	73%	0.725	S	S	*	*				42	133.9	124.7	-159.3	9.6	0	0	0	123.9
1023	S	32.6	Very low	33.2	Very low	86 Å²	86	131.7 Å²	131.7	60%	0.601	73%	0.729	S	S	*	*			trans	72.4	122.8	155.1	-74	0	0	0	0	119.4
1024	N	31.2	Very low	33.2	Very low	141 Å²	141	124.6 Å²	124.6	75%	0.754	72%	0.717	S	S	*	*				72.4	119.2	67.7	-77.4	-9.3	0	0	0	112.8
1025	N	33.6	Very low	33.1	Very low	129 Å²	129	127.3 Å²	127.3	69%	0.69	73%	0.727	S	S	*	*				-179.3	154.2	63.9	-106.9	-24.4	0	0	0	114.6
1026	N	33.5	Very low	33.4	Very low	146 Å²	146	125.9 Å²	125.9	78%	0.781	72%	0.721	S	S	*	*			trans	67.6	155.7	143.1	-63.3	-19.4	0	0	0	121.1
1027	S	34.4	Very low	33.3	Very low	93 Å²	93	127.1 Å²	127.1	65%	0.65	72%	0.724	S	S	*	*			cis	-146.3	144.2	12.8	62.9	0	0	0	0	115.9
1028	T	35.1	Very low	33.4	Very low	122 Å²	122	126.8 Å²	126.8	75%	0.748	72%	0.724	S	S	*	*			trans	51.3	138.8	135.9	60.8	0	0	0	0	120.8
1029	N	32.7	Very low	33.6	Very low	145 Å²	145	126 Å²	126	78%	0.775	73%	0.725	S	S	*	*			cis	-165.6	-175.6	20.4	-132.1	24.5	0	0	0	109.9
1030	S	32.1	Very low	33.9	Very low	78 Å²	78	124.1 Å²	124.1	55%	0.545	72%	0.721	S	S	.	*			cis	-163.9	165.5	4.5	-153	0	0	0	0	112.5
1031	T	35.7	Very low	33.8	Very low	109 Å²	109	129.5 Å²	129.5	67%	0.669	74%	0.736	S	S	*	*			trans	14.9	143.8	140.8	57.8	0	0	0	0	122.1
1032	D	32.9	Very low	33.8	Very low	121 Å²	121	128.9 Å²	128.9	65%	0.647	73%	0.733	S	S	*	*			cis	-170	174.1	6.3	-124.7	-30.2	0	0	0	117.1
1033	Y	34.5	Very low	33.8	Very low	195 Å²	195	130.9 Å²	130.9	77%	0.765	74%	0.737	S	S	*	*			trans	72	109.8	156.7	-68.1	-59.5	0	0	0	125.7
1034	S	35.2	Very low	33.6	Very low	100 Å²	100	133.4 Å²	133.4	70%	0.699	75%	0.749	S	S	*	*				66	110.8	125.8	-58.9	0	0	0	0	125.3
1035	S	30.2	Very low	33.8	Very low	118 Å²	118	131.1 Å²	131.1	83%	0.825	74%	0.744	S	S	*	*				164.8	144.4	107.8	-69.2	0	0	0	0	114.1
1036	P	39.8	Very low	33.6	Very low	110 Å²	110	134.1 Å²	134.1	71%	0.714	75%	0.754	S	S	*	*			trans	-136.8	146.1	-166.5	39.8	-21.1	0	0	0	120.6
1037	T	27.7	Very low	33.3	Very low	134 Å²	134	138.3 Å²	138.3	82%	0.822	76%	0.759	S	S	*	*			trans	61.9	176.7	146.8	60.8	0	0	0	0	119.6
1038	P	37.8	Very low	33.4	Very low	113 Å²	113	142.6 Å²	142.6	73%	0.734	77%	0.769	S	S	*	*			cis	-118.3	-154.7	-13.2	33.1	-10.4	0	0	0	111.2
1039	T	34.6	Very low	33.4	Very low	128 Å²	128	145.7 Å²	145.7	79%	0.785	78%	0.781	S	S	*	*			cis	-159.2	157.6	-1.9	-15.9	0	0	0	0	109.5
1040	P	41.2	Very low	33.8	Very low	121 Å²	121	142.7 Å²	142.7	79%	0.786	77%	0.771	S	S	*	*			trans	-125.5	156.2	179.8	40.6	-28.9	0	0	0	117.5
1041	R	30.3	Very low	34.7	Very low	234 Å²	234	146.4 Å²	146.4	88%	0.883	78%	0.777	S	S	*	*			trans	-167.9	135.9	150.4	-124.7	-175.2	-163.9	174.5	5.1	115.7
1042	D	34.4	Very low	36	Very low	143 Å²	143	145.1 Å²	145.1	77%	0.765	77%	0.766	S	S	*	*			trans	143.7	160	130	-77.1	-11.9	0	0	0	115.5
1043	H	30.9	Very low	37	Very low	183 Å²	183	146.9 Å²	146.9	85%	0.847	77%	0.765	S	S	*	*			trans	-122.8	179.2	-161.2	-82.2	-94.1	0	0	0	113.5
1044	V	29.3	Very low	38.5	Very low	138 Å²	138	144.1 Å²	144.1	84%	0.836	76%	0.757	S	S	*	*			trans	81.3	116.7	167.8	-168.2	0	0	0	0	113.2
1045	S	33.8	Very low	40.1	Very low	93 Å²	93	147.5 Å²	147.5	65%	0.65	75%	0.754	S	S	*	*				-157.4	157.8	61	-165.2	0	0	0	0	114.4
1046	Q	29.6	Very low	41.8	Very low	192 Å²	192	146.6 Å²	146.6	90%	0.897	74%	0.74	S	S	*	*			trans	-126.8	62.5	-179.8	-166.8	177	14.9	0	0	110.9
1047	W	27.5	Very low	43.2	Very low	234 Å²	234	149.1 Å²	149.1	89%	0.886	74%	0.736	S	S	*	*			trans	-134.1	102.2	-176.7	-77	69.7	0	0	0	110.2
1048	Q	36.4	Very low	45.2	Very low	184 Å²	184	146.8 Å²	146.8	86%	0.86	72%	0.716	S	S	*	*			trans	-151.7	32.6	179.4	-124.7	156.7	12.7	0	0	117.4	S1050	Q1048-S1050 PolarHBondContact O-N 3.19Å
1049	D	35.9	Very low	46.8	Very low	187 Å²	187	148.3 Å²	148.3	100%	1	71%	0.707	S	S	*	*			trans	-74.4	66.9	147.1	-87.8	-41.4	0	0	0	109.3
1050	S	40.6	Very low	48.5	Very low	81 Å²	81	148.2 Å²	148.2	57%	0.566	70%	0.698	S	S	*	*			trans	-113.1	128.6	178.5	-169.5	0	0	0	0	110	Q1048 D1052	Q1048-S1050 PolarHBondContact O-N 3.19Å; S1050-D1052 PolarHBondContact O-N 3.37Å
1051	K	51.3	Low	50.1	Low	156 Å²	156	146.7 Å²	146.7	68%	0.678	68%	0.678	S	S	*	*			trans	-58.8	123.6	171.8	-70.2	174.5	-179.3	171.1	0	108	Y1053	K1051-Y1053 HydrophobicContact CB-CE1 4.39Å; K1051-Y1053 HydrophobicContact CB-CE2 4.18Å; K1051-Y1053 WeakPolarHBondContact O-CD2 3.3Å; K1051-Y1053 WeakPolarHBondContact O-CE2 3.47Å; K1051-Y1053 PolarHBondContact O-N 3.21Å
1052	D	62.7	Low	52.3	Low	82 Å²	82	141.7 Å²	141.7	44%	0.439	67%	0.665	S	S	.	*			trans	-72.4	81.1	179.8	-172.4	-7.3	0	0	0	110.4	S1050 K1054 R1055 L1056	S1050-D1052 PolarHBondContact O-N 3.37Å; D1052-K1054 PolarHBondContact O-N 3.19Å; D1052-K1054 VanDerWaalsContact O-N 3.16Å; D1052-K1054 WeakPolarHBondContact OD1-CB 3.49Å; D1052-K1054 PolarHBondContact OD1-N 2.71Å; D1052-R1055 HydrophobicContact CB-CB 4.27Å; D1052-R1055 PolarHBondContact O-N 3.35Å; D1052-R1055 PolarHBondContact OD1-N 2.99Å; D1052-R1055 WeakPolarHBondContact OD2-CD 3.13Å; D1052-R1055 VanDerWaalsContact OD2-CG 3.24Å; D1052-R1055 WeakPolarHBondContact OD2-CG 3.4Å; D1052-R1055 IonicContact OD2-NE 3.74Å; D1052-L1056 PolarHBondContact O-N 2.63Å
1053	Y	54.1	Low	54	Low	158 Å²	158	139.7 Å²	139.7	62%	0.62	65%	0.651	S	S	*	*	H	α-helix	trans	-58.5	-26	-178.2	-67.6	-74.8	0	0	0	112.5	K1051 L1056 Y1057	K1051-Y1053 HydrophobicContact CB-CE1 4.39Å; K1051-Y1053 HydrophobicContact CB-CE2 4.18Å; K1051-Y1053 WeakPolarHBondContact O-CD2 3.3Å; K1051-Y1053 WeakPolarHBondContact O-CE2 3.47Å; K1051-Y1053 PolarHBondContact O-N 3.21Å; Y1053-L1056 PolarHBondContact O-N 2.93Å; Y1053-Y1057 WeakPolarHBondContact O-CB 3.42Å; Y1053-Y1057 PolarHBondContact O-N 2.92Å
1054	K	66	Low	55.6	Low	137 Å²	137	138.1 Å²	138.1	60%	0.596	64%	0.638	S	S	*	*	H	α-helix	trans	-65.2	-48.4	174.6	-178.5	179.1	170.5	-178.4	0	110.5	D1052 L1056 Y1057 E1058	D1052-K1054 PolarHBondContact O-N 3.19Å; D1052-K1054 VanDerWaalsContact O-N 3.16Å; D1052-K1054 WeakPolarHBondContact OD1-CB 3.49Å; D1052-K1054 PolarHBondContact OD1-N 2.71Å; K1054-L1056 VanDerWaalsContact C-N 3.27Å; K1054-L1056 PolarHBondContact O-N 3.05Å; K1054-Y1057 PolarHBondContact O-N 3.27Å; K1054-E1058 WeakPolarHBondContact CE-OE1 3.37Å; K1054-E1058 HydrophobicContact CG-CG 4.47Å; K1054-E1058 IonicContact NZ-OE1 3.9Å; K1054-E1058 WeakPolarHBondContact O-CB 3.24Å; K1054-E1058 WeakPolarHBondContact O-CG 3.12Å; K1054-E1058 PolarHBondContact O-N 3.4Å
1055	R	69.4	Low	57.8	Low	171 Å²	171	135.8 Å²	135.8	65%	0.645	62%	0.618	S	S	*	*	H	α-helix	trans	-65.6	-22.5	173.9	-78.7	-176.4	173.3	-166	-4.2	114.4	D1052 R1059	D1052-R1055 HydrophobicContact CB-CB 4.27Å; D1052-R1055 PolarHBondContact O-N 3.35Å; D1052-R1055 PolarHBondContact OD1-N 2.99Å; D1052-R1055 WeakPolarHBondContact OD2-CD 3.13Å; D1052-R1055 VanDerWaalsContact OD2-CG 3.24Å; D1052-R1055 WeakPolarHBondContact OD2-CG 3.4Å; D1052-R1055 IonicContact OD2-NE 3.74Å; R1055-R1059 PolarHBondContact O-NH1 3.27Å
1056	L	64	Low	60.3	Low	100 Å²	100	137.8 Å²	137.8	52%	0.524	61%	0.611	S	S	.	*	H	α-helix	trans	-73.7	-51.2	168.1	-93.7	103.5	0	0	0	111	D1052 Y1053 K1054 E1058 R1059 E1060	D1052-L1056 PolarHBondContact O-N 2.63Å; Y1053-L1056 PolarHBondContact O-N 2.93Å; K1054-L1056 VanDerWaalsContact C-N 3.27Å; K1054-L1056 PolarHBondContact O-N 3.05Å; L1056-E1058 VanDerWaalsContact C-N 3.31Å; L1056-E1058 PolarHBondContact O-N 3.32Å; L1056-R1059 PolarHBondContact O-N 2.82Å; L1056-E1060 WeakPolarHBondContact O-CB 3.48Å; L1056-E1060 PolarHBondContact O-N 3Å
1057	Y	70.6	Confident	62.4	Low	163 Å²	163	133.6 Å²	133.6	64%	0.639	59%	0.594	S	S	*	*	H	α-helix	trans	-59.6	-39.1	179.7	175.6	-100.6	0	0	0	113	Y1053 K1054 E1060 K1061	Y1053-Y1057 WeakPolarHBondContact O-CB 3.42Å; Y1053-Y1057 PolarHBondContact O-N 2.92Å; K1054-Y1057 PolarHBondContact O-N 3.27Å; Y1057-E1060 PolarHBondContact O-N 3.16Å; Y1057-K1061 VanDerWaalsContact O-CB 3.3Å; Y1057-K1061 WeakPolarHBondContact O-CB 3.4Å; Y1057-K1061 PolarHBondContact O-N 3.08Å
1058	E	68.3	Low	64.5	Low	85 Å²	85	125.9 Å²	125.9	40%	0.397	57%	0.568	S	S	.	*	H	α-helix	trans	-64.5	-43.9	177.1	-73.5	168.3	166.2	0	0	111.6	K1054 L1056 K1061 E1062	K1054-E1058 WeakPolarHBondContact CE-OE1 3.37Å; K1054-E1058 HydrophobicContact CG-CG 4.47Å; K1054-E1058 IonicContact NZ-OE1 3.9Å; K1054-E1058 WeakPolarHBondContact O-CB 3.24Å; K1054-E1058 WeakPolarHBondContact O-CG 3.12Å; K1054-E1058 PolarHBondContact O-N 3.4Å; L1056-E1058 VanDerWaalsContact C-N 3.31Å; L1056-E1058 PolarHBondContact O-N 3.32Å; E1058-K1061 WeakPolarHBondContact O-CB 3.49Å; E1058-K1061 PolarHBondContact O-N 3.03Å; E1058-E1062 WeakPolarHBondContact O-CG 3.49Å; E1058-E1062 PolarHBondContact O-N 3.14Å
1059	R	72	Confident	66.6	Low	145 Å²	145	124.4 Å²	124.4	55%	0.547	56%	0.555	S	S	.	*	H	α-helix	trans	-64.1	-44.8	173.9	-176.2	-175.3	-65.9	90.1	3.2	112.4	R1055 L1056 K1061 E1062 E1063	R1055-R1059 PolarHBondContact O-NH1 3.27Å; L1056-R1059 PolarHBondContact O-N 2.82Å; R1059-K1061 VanDerWaalsContact C-N 3.25Å; R1059-K1061 PolarHBondContact O-N 3.02Å; R1059-E1062 PolarHBondContact O-N 2.84Å; R1059-E1062 VanDerWaalsContact O-N 3.17Å; R1059-E1063 PolarHBondContact O-N 2.8Å
1060	E	70.3	Confident	68.7	Low	126 Å²	126	119.9 Å²	119.9	59%	0.589	53%	0.528	S	S	*	.	H	α-helix	trans	-60.5	-37.7	178.1	-165.8	66.7	-146.7	0	0	111.3	L1056 Y1057 R1064	L1056-E1060 WeakPolarHBondContact O-CB 3.48Å; L1056-E1060 PolarHBondContact O-N 3Å; Y1057-E1060 PolarHBondContact O-N 3.16Å; E1060-R1064 VanDerWaalsContact O-CB 3.23Å; E1060-R1064 WeakPolarHBondContact O-CB 3.4Å; E1060-R1064 PolarHBondContact O-N 2.95Å
1061	K	74	Confident	70	Confident	88 Å²	88	117.1 Å²	117.1	38%	0.383	51%	0.506	S	S	.	.	H	α-helix	trans	-66.1	-43.9	173.9	178.3	-177.4	173	-62.9	0	112	Y1057 E1058 R1059 R1064 E1065	Y1057-K1061 VanDerWaalsContact O-CB 3.3Å; Y1057-K1061 WeakPolarHBondContact O-CB 3.4Å; Y1057-K1061 PolarHBondContact O-N 3.08Å; E1058-K1061 WeakPolarHBondContact O-CB 3.49Å; E1058-K1061 PolarHBondContact O-N 3.03Å; R1059-K1061 VanDerWaalsContact C-N 3.25Å; R1059-K1061 PolarHBondContact O-N 3.02Å; K1061-R1064 PolarHBondContact O-N 2.93Å; K1061-E1065 VanDerWaalsContact CE-OE1 3.32Å; K1061-E1065 WeakPolarHBondContact CE-OE1 3.4Å; K1061-E1065 IonicContact NZ-OE1 2.64Å; K1061-E1065 PolarHBondContact NZ-OE1 2.99Å; K1061-E1065 IonicContact NZ-OE2 3.76Å; K1061-E1065 WeakPolarHBondContact O-CB 3.21Å; K1061-E1065 WeakPolarHBondContact O-CG 3.37Å; K1061-E1065 PolarHBondContact O-N 2.82Å
1062	E	77.7	Confident	71.3	Confident	129 Å²	129	112.5 Å²	112.5	60%	0.603	49%	0.489	S	S	*	.	H	α-helix	trans	-62.7	-43.4	176.3	-73.4	175.5	173.7	0	0	112.3	E1058 R1059 E1065 R1066	E1058-E1062 WeakPolarHBondContact O-CG 3.49Å; E1058-E1062 PolarHBondContact O-N 3.14Å; R1059-E1062 PolarHBondContact O-N 2.84Å; R1059-E1062 VanDerWaalsContact O-N 3.17Å; E1062-E1065 PolarHBondContact O-N 3Å; E1062-R1066 PolarHBondContact O-N 3.05Å
1063	E	69.5	Low	72.3	Confident	101 Å²	101	115.1 Å²	115.1	47%	0.472	50%	0.497	S	S	.	.	H	α-helix	trans	-66.3	-42.3	177.3	-175.2	148.2	-153.7	0	0	111.5	R1059 E1065 R1066 L1067	R1059-E1063 PolarHBondContact O-N 2.8Å; E1063-E1065 PolarHBondContact O-N 3.41Å; E1063-R1066 WeakPolarHBondContact O-CB 3.06Å; E1063-R1066 PolarHBondContact O-N 3.4Å; E1063-R1066 VanDerWaalsContact O-N 3.15Å; E1063-L1067 HydrophobicContact CG-CD1 4.37Å; E1063-L1067 WeakPolarHBondContact O-CG 3.28Å; E1063-L1067 PolarHBondContact O-N 3.46Å
1064	R	64.1	Low	73.3	Confident	150 Å²	150	108.9 Å²	108.9	57%	0.566	48%	0.476	S	S	*	.	H	α-helix	trans	-59.6	-42.1	171.1	178.9	177.9	169	-126.2	-11.6	112.8	E1060 K1061 R1066 L1067 Q1068	E1060-R1064 VanDerWaalsContact O-CB 3.23Å; E1060-R1064 WeakPolarHBondContact O-CB 3.4Å; E1060-R1064 PolarHBondContact O-N 2.95Å; K1061-R1064 PolarHBondContact O-N 2.93Å; R1064-R1066 VanDerWaalsContact C-N 3.3Å; R1064-L1067 PolarHBondContact O-N 2.97Å; R1064-Q1068 PolarHBondContact O-N 3.44Å
1065	E	76.6	Confident	73.7	Confident	90 Å²	90	105.6 Å²	105.6	42%	0.421	47%	0.465	S	S	.	.	H	α-helix	trans	-69.1	-27.9	176.2	-78.8	173.8	-156.7	0	0	112.6	K1061 E1062 E1063 R1069	K1061-E1065 VanDerWaalsContact CE-OE1 3.32Å; K1061-E1065 WeakPolarHBondContact CE-OE1 3.4Å; K1061-E1065 IonicContact NZ-OE1 2.64Å; K1061-E1065 PolarHBondContact NZ-OE1 2.99Å; K1061-E1065 IonicContact NZ-OE2 3.76Å; K1061-E1065 WeakPolarHBondContact O-CB 3.21Å; K1061-E1065 WeakPolarHBondContact O-CG 3.37Å; K1061-E1065 PolarHBondContact O-N 2.82Å; E1062-E1065 PolarHBondContact O-N 3Å; E1063-E1065 PolarHBondContact O-N 3.41Å; E1065-R1069 WeakPolarHBondContact O-CG 3.15Å; E1065-R1069 PolarHBondContact O-N 3.1Å; E1065-R1069 PolarHBondContact O-NE 2.69Å; E1065-R1069 PolarHBondContact O-NH2 3.25Å
1066	R	84.8	Confident	74.4	Confident	134 Å²	134	105.1 Å²	105.1	51%	0.506	46%	0.463	S	S	.	.	H	α-helix	trans	-69.8	-50.1	169.9	178.8	-174	165.4	-163.6	-10.9	111.3	E1062 E1063 R1064 Q1068 R1069 E1070	E1062-R1066 PolarHBondContact O-N 3.05Å; E1063-R1066 WeakPolarHBondContact O-CB 3.06Å; E1063-R1066 PolarHBondContact O-N 3.4Å; E1063-R1066 VanDerWaalsContact O-N 3.15Å; R1064-R1066 VanDerWaalsContact C-N 3.3Å; R1066-Q1068 VanDerWaalsContact C-N 3.31Å; R1066-Q1068 PolarHBondContact O-N 3Å; R1066-R1069 WeakPolarHBondContact O-CB 3.4Å; R1066-R1069 PolarHBondContact O-N 3.42Å; R1066-E1070 IonicContact CZ-OE1 2.6Å; R1066-E1070 VanDerWaalsContact CZ-OE1 3.28Å; R1066-E1070 IonicContact NE-OE1 3.87Å; R1066-E1070 PolarHBondContact NE-OE1 3.24Å; R1066-E1070 IonicContact NH2-OE1 3.61Å; R1066-E1070 PolarHBondContact NH2-OE1 2.88Å; R1066-E1070 PolarHBondContact O-N 3.04Å
1067	L	74.6	Confident	75	Confident	104 Å²	104	105.2 Å²	105.2	55%	0.545	46%	0.461	S	S	.	.	H	α-helix	trans	-60.4	-38.3	-179.3	-71.6	169.5	0	0	0	112.3	E1063 R1064 E1070 L1071	E1063-L1067 HydrophobicContact CG-CD1 4.37Å; E1063-L1067 WeakPolarHBondContact O-CG 3.28Å; E1063-L1067 PolarHBondContact O-N 3.46Å; R1064-L1067 PolarHBondContact O-N 2.97Å; L1067-E1070 PolarHBondContact O-N 3.47Å; L1067-L1071 WeakPolarHBondContact O-CB 3.24Å; L1067-L1071 PolarHBondContact O-N 3.4Å
1068	Q	71.5	Confident	75.1	Confident	72 Å²	72	100 Å²	100	34%	0.336	44%	0.443	S	S	.	.	H	α-helix	trans	-63.6	-40.5	173.8	-174.3	61.6	56.7	0	0	112	R1064 R1066 E1070 L1071 D1072	R1064-Q1068 PolarHBondContact O-N 3.44Å; R1066-Q1068 VanDerWaalsContact C-N 3.31Å; R1066-Q1068 PolarHBondContact O-N 3Å; Q1068-E1070 PolarHBondContact O-N 3.22Å; Q1068-L1071 WeakPolarHBondContact O-CB 3.48Å; Q1068-L1071 PolarHBondContact O-N 3.28Å; Q1068-D1072 PolarHBondContact NE2-OD1 3.33Å; Q1068-D1072 PolarHBondContact O-N 3.33Å
1069	R	81.2	Confident	75.6	Confident	153 Å²	153	99.5 Å²	99.5	58%	0.577	45%	0.449	S	S	*	.	H	α-helix	trans	-65.3	-36.8	175.4	-76.9	174	-77.4	148	-9.9	113	E1065 R1066 K1073	E1065-R1069 WeakPolarHBondContact O-CG 3.15Å; E1065-R1069 PolarHBondContact O-N 3.1Å; E1065-R1069 PolarHBondContact O-NE 2.69Å; E1065-R1069 PolarHBondContact O-NH2 3.25Å; R1066-R1069 WeakPolarHBondContact O-CB 3.4Å; R1066-R1069 PolarHBondContact O-N 3.42Å; R1069-K1073 PolarHBondContact O-N 3.04Å; R1069-K1073 VanDerWaalsContact O-N 3.1Å
1070	E	78.4	Confident	76	Confident	93 Å²	93	98.1 Å²	98.1	44%	0.435	45%	0.449	S	S	.	.	H	α-helix	trans	-69.1	-39.2	174.7	-69.5	-174.6	-158.1	0	0	111.5	R1066 L1067 Q1068 K1073 C1074	R1066-E1070 IonicContact CZ-OE1 2.6Å; R1066-E1070 VanDerWaalsContact CZ-OE1 3.28Å; R1066-E1070 IonicContact NE-OE1 3.87Å; R1066-E1070 PolarHBondContact NE-OE1 3.24Å; R1066-E1070 IonicContact NH2-OE1 3.61Å; R1066-E1070 PolarHBondContact NH2-OE1 2.88Å; R1066-E1070 PolarHBondContact O-N 3.04Å; L1067-E1070 PolarHBondContact O-N 3.47Å; Q1068-E1070 PolarHBondContact O-N 3.22Å; E1070-K1073 WeakPolarHBondContact O-CB 3.15Å; E1070-K1073 PolarHBondContact O-N 2.98Å; E1070-C1074 PolarHBondContact O-N 3.07Å
1071	L	68.9	Low	76.4	Confident	23 Å²	23	97 Å²	97	12%	0.12	45%	0.447	C	S	.	.	H	α-helix	trans	-61.4	-47.1	172	179.8	62.3	0	0	0	112.1	L1067 Q1068 K1073 C1074 N1075 M1133	L1067-L1071 WeakPolarHBondContact O-CB 3.24Å; L1067-L1071 PolarHBondContact O-N 3.4Å; Q1068-L1071 WeakPolarHBondContact O-CB 3.48Å; Q1068-L1071 PolarHBondContact O-N 3.28Å; L1071-K1073 PolarHBondContact O-N 3.18Å; L1071-C1074 PolarHBondContact O-N 3.16Å; L1071-C1074 VanDerWaalsContact O-N 3.13Å; L1071-N1075 PolarHBondContact O-N 3.46Å; L1071-M1133 HydrophobicContact CD1-CE 3.91Å; L1071-M1133 HydrophobicContact CD1-SD 4.24Å
1072	D	78.9	Confident	76.5	Confident	59 Å²	59	101 Å²	101	32%	0.316	46%	0.459	S	S	.	.	H	α-helix	trans	-65.1	-26.6	178.2	-62.3	-24.1	0	0	0	112.1	Q1068 R1076	Q1068-D1072 PolarHBondContact NE2-OD1 3.33Å; Q1068-D1072 PolarHBondContact O-N 3.33Å; D1072-R1076 PolarHBondContact O-NE 3.45Å; D1072-R1076 PolarHBondContact O-NH2 2.78Å
1073	K	83	Confident	76.5	Confident	137 Å²	137	100.9 Å²	100.9	60%	0.596	46%	0.459	S	S	*	.	H	α-helix	trans	-72.8	-46.3	171.4	-174.5	-179.6	177.9	-177.3	0	110.9	R1069 E1070 L1071 R1076 Q1077	R1069-K1073 PolarHBondContact O-N 3.04Å; R1069-K1073 VanDerWaalsContact O-N 3.1Å; E1070-K1073 WeakPolarHBondContact O-CB 3.15Å; E1070-K1073 PolarHBondContact O-N 2.98Å; L1071-K1073 PolarHBondContact O-N 3.18Å; K1073-R1076 PolarHBondContact O-N 2.94Å; K1073-Q1077 PolarHBondContact O-N 2.9Å
1074	C	75.4	Confident	76.8	Confident	27 Å²	27	100.9 Å²	100.9	18%	0.182	46%	0.459	C	S	.	.	H	α-helix	trans	-60.6	-46.3	178.4	-163.3	0	0	0	0	111.9	E1070 L1071 R1076 Q1077 I1078	E1070-C1074 PolarHBondContact O-N 3.07Å; L1071-C1074 PolarHBondContact O-N 3.16Å; L1071-C1074 VanDerWaalsContact O-N 3.13Å; C1074-R1076 VanDerWaalsContact C-N 3.3Å; C1074-R1076 PolarHBondContact O-N 3.34Å; C1074-Q1077 PolarHBondContact O-N 3.31Å; C1074-Q1077 VanDerWaalsContact O-N 3.07Å; C1074-I1078 WeakPolarHBondContact O-CG1 3.37Å; C1074-I1078 PolarHBondContact O-N 2.94Å
1075	N	74.6	Confident	77.1	Confident	68 Å²	68	100 Å²	100	36%	0.364	46%	0.461	S	S	.	.	H	α-helix	trans	-58.1	-39.5	177.5	-73.2	-20.2	0	0	0	112.6	L1071 I1078 S1079	L1071-N1075 PolarHBondContact O-N 3.46Å; N1075-I1078 PolarHBondContact O-N 3.49Å; N1075-S1079 PolarHBondContact O-N 3.39Å; N1075-S1079 PolarHBondContact O-OG 3Å
1076	R	83.8	Confident	76.9	Confident	160 Å²	160	102.1 Å²	102.1	60%	0.604	47%	0.471	S	S	*	.	H	α-helix	trans	-64.5	-40.4	174.9	-84	173.4	-76.8	-158.8	-5	112.6	D1072 K1073 C1074 S1079 Q1080	D1072-R1076 PolarHBondContact O-NE 3.45Å; D1072-R1076 PolarHBondContact O-NH2 2.78Å; K1073-R1076 PolarHBondContact O-N 2.94Å; C1074-R1076 VanDerWaalsContact C-N 3.3Å; C1074-R1076 PolarHBondContact O-N 3.34Å; R1076-S1079 PolarHBondContact O-N 3.44Å; R1076-Q1080 WeakPolarHBondContact O-CG 3.44Å; R1076-Q1080 PolarHBondContact O-N 2.76Å
1077	Q	77.5	Confident	76.2	Confident	103 Å²	103	100.9 Å²	100.9	48%	0.481	47%	0.474	S	S	.	.	H	α-helix	trans	-66.3	-37.7	175.2	-64.1	-174.8	-81.4	0	0	112	K1073 C1074 Q1080 L1081	K1073-Q1077 PolarHBondContact O-N 2.9Å; C1074-Q1077 PolarHBondContact O-N 3.31Å; C1074-Q1077 VanDerWaalsContact O-N 3.07Å; Q1077-Q1080 PolarHBondContact O-N 3Å; Q1077-L1081 WeakPolarHBondContact O-CB 3.02Å; Q1077-L1081 WeakPolarHBondContact O-CG 3.41Å; Q1077-L1081 PolarHBondContact O-N 2.96Å
1078	I	72.4	Confident	75.4	Confident	52 Å²	52	104 Å²	104	27%	0.267	48%	0.478	S	S	.	.	H	α-helix	trans	-65.4	-42.9	175.4	-67.1	168	0	0	0	111.1	C1074 N1075 L1081 R1082	C1074-I1078 WeakPolarHBondContact O-CG1 3.37Å; C1074-I1078 PolarHBondContact O-N 2.94Å; N1075-I1078 PolarHBondContact O-N 3.49Å; I1078-L1081 PolarHBondContact O-N 3.45Å; I1078-R1082 WeakPolarHBondContact O-CG 3.44Å; I1078-R1082 PolarHBondContact O-N 3.21Å
1079	S	78.2	Confident	74.7	Confident	76 Å²	76	103.2 Å²	103.2	53%	0.531	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-40.5	175.1	-65.2	0	0	0	0	112.5	N1075 R1076 R1082 Q1083	N1075-S1079 PolarHBondContact O-N 3.39Å; N1075-S1079 PolarHBondContact O-OG 3Å; R1076-S1079 PolarHBondContact O-N 3.44Å; S1079-R1082 PolarHBondContact O-N 2.89Å; S1079-Q1083 WeakPolarHBondContact O-CB 3.24Å; S1079-Q1083 PolarHBondContact O-N 2.84Å
1080	Q	81.4	Confident	73.6	Confident	116 Å²	116	99.6 Å²	99.6	54%	0.542	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-48.7	174.2	-74.6	172.8	-37.7	0	0	111.6	R1076 Q1077 R1082 Q1083 E1084	R1076-Q1080 WeakPolarHBondContact O-CG 3.44Å; R1076-Q1080 PolarHBondContact O-N 2.76Å; Q1077-Q1080 PolarHBondContact O-N 3Å; Q1080-R1082 VanDerWaalsContact C-N 3.33Å; Q1080-R1082 PolarHBondContact O-N 2.95Å; Q1080-Q1083 PolarHBondContact O-N 3.13Å; Q1080-Q1083 VanDerWaalsContact O-N 3.15Å; Q1080-E1084 PolarHBondContact O-N 3.22Å
1081	L	77	Confident	72.4	Confident	103 Å²	103	100.6 Å²	100.6	54%	0.539	49%	0.487	S	S	.	.	H	α-helix	trans	-63.6	-36	178.8	-72	168.7	0	0	0	112.9	Q1077 I1078 E1084 Q1085	Q1077-L1081 WeakPolarHBondContact O-CB 3.02Å; Q1077-L1081 WeakPolarHBondContact O-CG 3.41Å; Q1077-L1081 PolarHBondContact O-N 2.96Å; I1078-L1081 PolarHBondContact O-N 3.45Å; L1081-E1084 PolarHBondContact O-N 3.4Å; L1081-Q1085 WeakPolarHBondContact O-CG 3.45Å; L1081-Q1085 PolarHBondContact O-N 3.32Å
1082	R	77.1	Confident	71.4	Confident	171 Å²	171	105.7 Å²	105.7	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-64.7	-43.8	172	-76.9	179	174.3	179.4	-1.8	111.6	I1078 S1079 Q1080 Q1085 Q1086	I1078-R1082 WeakPolarHBondContact O-CG 3.44Å; I1078-R1082 PolarHBondContact O-N 3.21Å; S1079-R1082 PolarHBondContact O-N 2.89Å; Q1080-R1082 VanDerWaalsContact C-N 3.33Å; Q1080-R1082 PolarHBondContact O-N 2.95Å; R1082-Q1085 PolarHBondContact O-N 3.3Å; R1082-Q1086 WeakPolarHBondContact O-CB 3.31Å; R1082-Q1086 PolarHBondContact O-N 2.88Å
1083	Q	77.8	Confident	69.7	Low	126 Å²	126	110 Å²	110	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-65	-38.5	177.3	-165.2	171.9	19.9	0	0	111.8	S1079 Q1080 Q1086 L1087	S1079-Q1083 WeakPolarHBondContact O-CB 3.24Å; S1079-Q1083 PolarHBondContact O-N 2.84Å; Q1080-Q1083 PolarHBondContact O-N 3.13Å; Q1080-Q1083 VanDerWaalsContact O-N 3.15Å; Q1083-Q1086 PolarHBondContact O-N 2.77Å; Q1083-L1087 HydrophobicContact CG-CD1 4.35Å; Q1083-L1087 WeakPolarHBondContact O-CB 3.3Å; Q1083-L1087 VanDerWaalsContact O-CG 3.27Å; Q1083-L1087 WeakPolarHBondContact O-CG 3.43Å; Q1083-L1087 PolarHBondContact O-N 3.42Å
1084	E	76	Confident	67.5	Low	102 Å²	102	107.5 Å²	107.5	48%	0.477	53%	0.532	S	S	.	.	H	α-helix	trans	-64.5	-41.3	172.3	-75.1	-176.2	-168.3	0	0	113	Q1080 L1081 R1088	Q1080-E1084 PolarHBondContact O-N 3.22Å; L1081-E1084 PolarHBondContact O-N 3.4Å; E1084-R1088 WeakPolarHBondContact O-CB 3.47Å; E1084-R1088 WeakPolarHBondContact O-CD 3.44Å; E1084-R1088 VanDerWaalsContact O-CG 3.24Å; E1084-R1088 WeakPolarHBondContact O-CG 3.27Å; E1084-R1088 PolarHBondContact O-N 2.89Å
1085	Q	70.1	Confident	65.8	Low	131 Å²	131	116.8 Å²	116.8	61%	0.612	57%	0.565	S	S	*	*	H	α-helix	trans	-62.2	-43.9	173.4	-78.5	-178.5	-17.8	0	0	111.3	L1081 R1082 R1088 S1089	L1081-Q1085 WeakPolarHBondContact O-CG 3.45Å; L1081-Q1085 PolarHBondContact O-N 3.32Å; R1082-Q1085 PolarHBondContact O-N 3.3Å; Q1085-R1088 PolarHBondContact O-N 3.46Å; Q1085-S1089 PolarHBondContact O-N 2.93Å; Q1085-S1089 PolarHBondContact O-OG 3.13Å
1086	Q	71.3	Confident	63.7	Low	134 Å²	134	117.7 Å²	117.7	63%	0.626	58%	0.577	S	S	*	*	H	α-helix	trans	-66.2	-42.8	-178.4	-155.2	162.4	9.5	0	0	111.5	R1082 Q1083 R1088 S1089 S1090	R1082-Q1086 WeakPolarHBondContact O-CB 3.31Å; R1082-Q1086 PolarHBondContact O-N 2.88Å; Q1083-Q1086 PolarHBondContact O-N 2.77Å; Q1086-R1088 VanDerWaalsContact C-N 3.34Å; Q1086-R1088 PolarHBondContact O-N 2.95Å; Q1086-S1089 WeakPolarHBondContact CA-OG 3.39Å; Q1086-S1089 PolarHBondContact O-N 3.17Å; Q1086-S1089 PolarHBondContact O-OG 2.77Å; Q1086-S1090 PolarHBondContact O-N 3.36Å; Q1086-S1090 PolarHBondContact O-OG 2.94Å
1087	L	70.5	Confident	61.2	Low	108 Å²	108	118.4 Å²	118.4	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-61.2	-37.6	171.9	-74.4	167	0	0	0	112.9	Q1083 N1091	Q1083-L1087 HydrophobicContact CG-CD1 4.35Å; Q1083-L1087 WeakPolarHBondContact O-CB 3.3Å; Q1083-L1087 VanDerWaalsContact O-CG 3.27Å; Q1083-L1087 WeakPolarHBondContact O-CG 3.43Å; Q1083-L1087 PolarHBondContact O-N 3.42Å; L1087-N1091 PolarHBondContact O-N 3.13Å
1088	R	59.1	Low	59	Low	170 Å²	170	118.1 Å²	118.1	64%	0.642	61%	0.608	S	S	*	*	H	α-helix	trans	-65.7	-48.7	174.7	-73.9	166.8	-178	-87.7	1.1	111.3	E1084 Q1085 Q1086 S1090 N1091 D1092	E1084-R1088 WeakPolarHBondContact O-CB 3.47Å; E1084-R1088 WeakPolarHBondContact O-CD 3.44Å; E1084-R1088 VanDerWaalsContact O-CG 3.24Å; E1084-R1088 WeakPolarHBondContact O-CG 3.27Å; E1084-R1088 PolarHBondContact O-N 2.89Å; Q1085-R1088 PolarHBondContact O-N 3.46Å; Q1086-R1088 VanDerWaalsContact C-N 3.34Å; Q1086-R1088 PolarHBondContact O-N 2.95Å; R1088-S1090 VanDerWaalsContact C-N 3.26Å; R1088-S1090 PolarHBondContact O-N 3.15Å; R1088-N1091 PolarHBondContact O-N 3.44Å; R1088-N1091 VanDerWaalsContact O-N 3.12Å; R1088-D1092 PolarHBondContact O-N 3.45Å
1089	S	56.7	Low	57.2	Low	55 Å²	55	121 Å²	121	39%	0.385	63%	0.63	S	S	.	*	H	α-helix	trans	-61.1	-32.3	178.5	53.7	0	0	0	0	113.8	Q1085 Q1086 H1093	Q1085-S1089 PolarHBondContact O-N 2.93Å; Q1085-S1089 PolarHBondContact O-OG 3.13Å; Q1086-S1089 WeakPolarHBondContact CA-OG 3.39Å; Q1086-S1089 PolarHBondContact O-N 3.17Å; Q1086-S1089 PolarHBondContact O-OG 2.77Å; S1089-H1093 PolarHBondContact O-ND1 3.24Å
1090	S	56.8	Low	54.9	Low	77 Å²	77	124.2 Å²	124.2	54%	0.538	64%	0.641	S	S	.	*	H	α-helix	trans	-70.7	-31.9	175.9	-63.4	0	0	0	0	113.3	Q1086 R1088 H1093	Q1086-S1090 PolarHBondContact O-N 3.36Å; Q1086-S1090 PolarHBondContact O-OG 2.94Å; R1088-S1090 VanDerWaalsContact C-N 3.26Å; R1088-S1090 PolarHBondContact O-N 3.15Å; S1090-H1093 PolarHBondContact O-N 2.93Å
1091	N	54.1	Low	52.8	Low	114 Å²	114	126 Å²	126	61%	0.61	66%	0.66	S	S	*	*	H	α-helix	trans	-68.4	-40.7	176.1	-78.1	-6.2	0	0	0	111.6	L1087 R1088 H1093 S1094	L1087-N1091 PolarHBondContact O-N 3.13Å; R1088-N1091 PolarHBondContact O-N 3.44Å; R1088-N1091 VanDerWaalsContact O-N 3.12Å; N1091-H1093 PolarHBondContact O-N 3.36Å; N1091-S1094 WeakPolarHBondContact O-CB 3.44Å; N1091-S1094 PolarHBondContact O-N 2.93Å; N1091-S1094 PolarHBondContact O-OG 3.37Å
1092	D	48.6	Very low	50.6	Low	131 Å²	131	129.1 Å²	129.1	70%	0.701	67%	0.672	S	S	*	*	H	α-helix	trans	-65.1	-23.6	-179.7	-63.8	-29.9	0	0	0	112.8	R1088 S1094	R1088-D1092 PolarHBondContact O-N 3.45Å; D1092-S1094 VanDerWaalsContact C-N 3.35Å
1093	H	42.9	Very low	48.4	Very low	150 Å²	150	127.2 Å²	127.2	69%	0.694	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	3.2	176	-71.1	73.6	0	0	0	114.1	S1089 S1090 N1091	S1089-H1093 PolarHBondContact O-ND1 3.24Å; S1090-H1093 PolarHBondContact O-N 2.93Å; N1091-H1093 PolarHBondContact O-N 3.36Å
1094	S	37.1	Very low	46.2	Very low	83 Å²	83	129.3 Å²	129.3	58%	0.58	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-0.9	178.9	69.3	0	0	0	0	114.7	N1091 D1092	N1091-S1094 WeakPolarHBondContact O-CB 3.44Å; N1091-S1094 PolarHBondContact O-N 2.93Å; N1091-S1094 PolarHBondContact O-OG 3.37Å; D1092-S1094 VanDerWaalsContact C-N 3.35Å
1095	Y	38.5	Very low	44	Very low	222 Å²	222	134.2 Å²	134.2	87%	0.871	70%	0.703	S	S	*	*	S	Bend	trans	-119.7	33.7	-173.2	-95.1	-85.2	0	0	0	114.5
1096	S	30.7	Very low	41.9	Very low	88 Å²	88	134.6 Å²	134.6	62%	0.615	71%	0.71	S	S	*	*			trans	-143	65.9	178.9	64.8	0	0	0	0	113.9
1097	N	30.9	Very low	39.7	Very low	174 Å²	174	139 Å²	139	93%	0.93	72%	0.722	S	S	*	*			trans	-155.2	85.8	166	-101.4	-34.9	0	0	0	111.9
1098	A	32.6	Very low	37.7	Very low	97 Å²	97	138.9 Å²	138.9	80%	0.802	73%	0.726	S	S	*	*			trans	-157.7	111.8	166.9	0	0	0	0	0	109.5
1099	P	34.1	Very low	36.2	Very low	112 Å²	112	137 Å²	137	73%	0.727	74%	0.739	S	S	*	*			trans	-86.4	165.6	175.3	34.6	-34	0	0	0	112.9
1100	D	29.9	Very low	34.7	Very low	145 Å²	145	139.2 Å²	139.2	78%	0.775	76%	0.755	S	S	*	*			trans	58.5	102.9	160.7	-55.1	-28.1	0	0	0	119.8
1101	T	36.4	Very low	33.5	Very low	154 Å²	154	143.3 Å²	143.3	95%	0.945	77%	0.77	S	S	*	*				-170.1	168.3	102.5	22.2	0	0	0	0	113
1102	H	31	Very low	32.2	Very low	167 Å²	167	145 Å²	145	77%	0.773	78%	0.779	S	S	*	*			trans	-80.4	148.8	-161.8	-100.9	-66.3	0	0	0	117.5
1103	N	30.8	Very low	31.2	Very low	132 Å²	132	143.2 Å²	143.2	71%	0.706	78%	0.776	S	S	*	*			trans	61.4	124	142.3	-61.7	-14.8	0	0	0	120.9
1104	I	32.3	Very low	30.5	Very low	170 Å²	170	142.4 Å²	142.4	87%	0.872	78%	0.777	S	S	*	*				-156.3	157.3	109.7	-102.1	157.1	0	0	0	110.2
1105	Y	30.6	Very low	30.4	Very low	204 Å²	204	147 Å²	147	80%	0.8	80%	0.795	S	S	*	*			trans	-68.1	141.1	-162.6	-87	-104.9	0	0	0	117.1
1106	N	25.9	Very low	30.2	Very low	140 Å²	140	140.4 Å²	140.4	75%	0.749	78%	0.781	S	S	*	*			trans	25.4	107.2	142.3	-66	-6.4	0	0	0	119.3
1107	Y	25.3	Very low	30.5	Very low	227 Å²	227	144.2 Å²	144.2	89%	0.89	79%	0.79	S	S	*	*			trans	-148.7	166.7	143.6	-127.1	-91.5	0	0	0	111
1108	T	27.9	Very low	31.2	Very low	105 Å²	105	143.9 Å²	143.9	64%	0.644	79%	0.786	S	S	*	*			trans	74	59.5	172.8	66.3	0	0	0	0	119.2	S1110	T1108-S1110 PolarHBondContact O-N 2.88Å
1109	S	27.4	Very low	32.1	Very low	131 Å²	131	141.5 Å²	141.5	92%	0.916	76%	0.762	S	S	*	*			trans	-70.2	65.7	142	-60.9	0	0	0	0	110.6
1110	S	25.5	Very low	32.8	Very low	101 Å²	101	142 Å²	142	71%	0.706	76%	0.759	S	S	*	*			trans	-170.4	98.1	170.1	-82.8	0	0	0	0	110.8	T1108	T1108-S1110 PolarHBondContact O-N 2.88Å
1111	N	30.4	Very low	33.8	Very low	163 Å²	163	140 Å²	140	87%	0.872	75%	0.752	S	S	*	*			trans	-147.3	89.7	157.9	-101.4	-27	0	0	0	108.6
1112	N	28.2	Very low	34.6	Very low	148 Å²	148	137.9 Å²	137.9	79%	0.791	73%	0.734	S	S	*	*			trans	-102.1	159.2	159.1	-169.7	6.2	0	0	0	107.6
1113	C	26	Very low	36	Very low	94 Å²	94	134.9 Å²	134.9	64%	0.635	72%	0.721	S	S	*	*	S	Bend	trans	73.9	145.7	179.6	-48.6	0	0	0	0	116.1
1114	N	29.1	Very low	37.6	Very low	134 Å²	134	132.3 Å²	132.3	72%	0.717	71%	0.713	S	S	*	*			trans	81.6	29.2	161.4	-49.6	-20.2	0	0	0	120
1115	N	34.8	Very low	39.2	Very low	179 Å²	179	131.2 Å²	131.2	96%	0.957	70%	0.698	S	S	*	*			trans	-92.5	85.7	140.7	-106.4	-2.7	0	0	0	108
1116	S	33.6	Very low	40.8	Very low	84 Å²	84	125.9 Å²	125.9	59%	0.587	68%	0.683	S	S	*	*			trans	-95.2	127.2	-165.3	53.9	0	0	0	0	113.8	I1118	S1116-I1118 PolarHBondContact O-N 3.21Å
1117	Q	38.1	Very low	42.9	Very low	168 Å²	168	123.8 Å²	123.8	79%	0.785	67%	0.665	S	S	*	*			trans	45.5	64.1	144.4	-63.6	172.7	-63.7	0	0	116.7	P1119	Q1117-P1119 WeakPolarHBondContact O-CD 3.41Å
1118	I	45.4	Very low	45	Very low	166 Å²	166	115.6 Å²	115.6	85%	0.851	64%	0.641	S	S	*	*			trans	-70.3	113.3	143.8	-60.7	178.1	0	0	0	104.9	S1116	S1116-I1118 PolarHBondContact O-N 3.21Å
1119	P	50.6	Low	46.6	Very low	48 Å²	48	114.8 Å²	114.8	31%	0.312	63%	0.627	S	S	.	*			trans	-87.4	145.2	-141.2	31.7	-38.6	0	0	0	114.6	Q1117 T1121 L1122	Q1117-P1119 WeakPolarHBondContact O-CD 3.41Å; P1119-T1121 PolarHBondContact O-N 3.34Å; P1119-L1122 HydrophobicContact CG-CD1 4.17Å; P1119-L1122 HydrophobicContact CG-CG 4.09Å; P1119-L1122 PolarHBondContact O-N 2.92Å
1120	D	50.3	Low	48.8	Very low	121 Å²	121	112.7 Å²	112.7	65%	0.647	60%	0.602	S	S	*	*	H	α-helix	trans	-53.5	-28.8	172.5	-52.1	-79.6	0	0	0	112.4	L1122 Q1123 S1124	D1120-L1122 PolarHBondContact O-N 3.34Å; D1120-Q1123 PolarHBondContact O-N 3.03Å; D1120-S1124 PolarHBondContact O-N 3.01Å; D1120-S1124 PolarHBondContact O-OG 3.01Å
1121	T	51.3	Low	51.1	Low	105 Å²	105	111.7 Å²	111.7	64%	0.644	59%	0.589	S	S	*	*	H	α-helix	trans	-61.6	-27.3	175.8	63	0	0	0	0	113.6	P1119 R1125	P1119-T1121 PolarHBondContact O-N 3.34Å; T1121-R1125 WeakPolarHBondContact O-CB 3.42Å; T1121-R1125 PolarHBondContact O-N 3.11Å
1122	L	51.8	Low	53.2	Low	108 Å²	108	109 Å²	109	57%	0.565	57%	0.57	S	S	*	*	H	α-helix	trans	-77.8	-40.7	169.6	-73.6	178.1	0	0	0	111.1	P1119 D1120 R1125 L1126	P1119-L1122 HydrophobicContact CG-CD1 4.17Å; P1119-L1122 HydrophobicContact CG-CG 4.09Å; P1119-L1122 PolarHBondContact O-N 2.92Å; D1120-L1122 PolarHBondContact O-N 3.34Å; L1122-R1125 PolarHBondContact O-N 3.1Å; L1122-L1126 WeakPolarHBondContact O-CB 3.44Å; L1122-L1126 PolarHBondContact O-N 3.43Å
1123	Q	61.5	Low	55.2	Low	105 Å²	105	105 Å²	105	49%	0.491	55%	0.547	S	S	.	.	H	α-helix	trans	-65.5	-48.9	-179.5	-166.3	64.7	15.7	0	0	111.9	D1120 R1125 L1126 Y1127	D1120-Q1123 PolarHBondContact O-N 3.03Å; Q1123-R1125 PolarHBondContact O-N 3.23Å; Q1123-L1126 PolarHBondContact O-N 3.2Å; Q1123-L1126 VanDerWaalsContact O-N 3.16Å; Q1123-Y1127 HydrophobicContact CG-CD2 4.26Å; Q1123-Y1127 HydrophobicContact CG-CE2 4.19Å; Q1123-Y1127 WeakPolarHBondContact O-CD2 3.46Å; Q1123-Y1127 PolarHBondContact O-N 2.8Å
1124	S	63.7	Low	57.7	Low	78 Å²	78	105.1 Å²	105.1	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-60.1	-34.5	173.7	-55.7	0	0	0	0	112.2	D1120 S1128	D1120-S1124 PolarHBondContact O-N 3.01Å; D1120-S1124 PolarHBondContact O-OG 3.01Å; S1124-S1128 VanDerWaalsContact O-CB 3.3Å; S1124-S1128 WeakPolarHBondContact O-CB 3.23Å; S1124-S1128 PolarHBondContact O-N 2.88Å
1125	R	65.3	Low	60.1	Low	146 Å²	146	102.5 Å²	102.5	55%	0.551	52%	0.52	S	S	*	.	H	α-helix	trans	-73	-34.5	176.8	-174.1	171.7	-171.3	153.2	1.5	112.3	T1121 L1122 Q1123 S1128 Y1129	T1121-R1125 WeakPolarHBondContact O-CB 3.42Å; T1121-R1125 PolarHBondContact O-N 3.11Å; L1122-R1125 PolarHBondContact O-N 3.1Å; Q1123-R1125 PolarHBondContact O-N 3.23Å; R1125-S1128 PolarHBondContact O-N 3.36Å; R1125-Y1129 HydrophobicContact CG-CD2 3.99Å; R1125-Y1129 HydrophobicContact CG-CE2 3.55Å; R1125-Y1129 PolarHBondContact NE-OH 3.28Å; R1125-Y1129 PolarHBondContact NH2-OH 2.87Å; R1125-Y1129 VanDerWaalsContact NH2-OH 3.13Å; R1125-Y1129 WeakPolarHBondContact O-CD2 3.2Å; R1125-Y1129 PolarHBondContact O-N 3.1Å
1126	L	64.7	Low	61.9	Low	92 Å²	92	96.8 Å²	96.8	48%	0.482	49%	0.489	S	S	.	.	H	α-helix	trans	-66.5	-48.3	174.9	-156	162.2	0	0	0	110.2	L1122 Q1123 S1128 Y1129 E1130	L1122-L1126 WeakPolarHBondContact O-CB 3.44Å; L1122-L1126 PolarHBondContact O-N 3.43Å; Q1123-L1126 PolarHBondContact O-N 3.2Å; Q1123-L1126 VanDerWaalsContact O-N 3.16Å; L1126-S1128 VanDerWaalsContact C-N 3.35Å; L1126-S1128 PolarHBondContact O-N 2.86Å; L1126-Y1129 PolarHBondContact O-N 3.22Å; L1126-Y1129 VanDerWaalsContact O-N 3.08Å; L1126-E1130 PolarHBondContact O-N 2.85Å
1127	Y	70	Confident	64.1	Low	96 Å²	96	96.6 Å²	96.6	38%	0.376	48%	0.484	S	S	.	.	H	α-helix	trans	-53.6	-49.1	169.2	-86.5	-68.9	0	0	0	112	Q254 Q1123 Y1129 E1130 D1131	Q254-Y1127 PolarHBondContact NE2-OH 2.74Å; Q1123-Y1127 HydrophobicContact CG-CD2 4.26Å; Q1123-Y1127 HydrophobicContact CG-CE2 4.19Å; Q1123-Y1127 WeakPolarHBondContact O-CD2 3.46Å; Q1123-Y1127 PolarHBondContact O-N 2.8Å; Y1127-Y1129 PolarHBondContact O-N 3.42Å; Y1127-Y1129 VanDerWaalsContact O-N 3.14Å; Y1127-E1130 WeakPolarHBondContact O-CA 3.3Å; Y1127-E1130 WeakPolarHBondContact O-CB 3.46Å; Y1127-E1130 PolarHBondContact O-N 3.37Å; Y1127-D1131 PolarHBondContact O-N 3.42Å
1128	S	68.9	Low	66.2	Low	55 Å²	55	93.6 Å²	93.6	39%	0.385	47%	0.466	S	S	.	.	H	α-helix	trans	-63.8	-20.2	179	-161.6	0	0	0	0	114.3	S1124 R1125 L1126 K1132	S1124-S1128 VanDerWaalsContact O-CB 3.3Å; S1124-S1128 WeakPolarHBondContact O-CB 3.23Å; S1124-S1128 PolarHBondContact O-N 2.88Å; R1125-S1128 PolarHBondContact O-N 3.36Å; L1126-S1128 VanDerWaalsContact C-N 3.35Å; L1126-S1128 PolarHBondContact O-N 2.86Å; S1128-K1132 WeakPolarHBondContact O-CD 3.29Å; S1128-K1132 VanDerWaalsContact O-CG 3.24Å; S1128-K1132 WeakPolarHBondContact O-CG 3.45Å; S1128-K1132 PolarHBondContact O-NZ 2.6Å; S1128-K1132 PolarHBondContact OG-NZ 2.89Å
1129	Y	63	Low	68	Low	88 Å²	88	89 Å²	89	35%	0.345	44%	0.443	S	S	.	.	H	α-helix	trans	-86.1	-34.5	169.1	-74	-54.2	0	0	0	112.1	R1125 L1126 Y1127 K1132 M1133	R1125-Y1129 HydrophobicContact CG-CD2 3.99Å; R1125-Y1129 HydrophobicContact CG-CE2 3.55Å; R1125-Y1129 PolarHBondContact NE-OH 3.28Å; R1125-Y1129 PolarHBondContact NH2-OH 2.87Å; R1125-Y1129 VanDerWaalsContact NH2-OH 3.13Å; R1125-Y1129 WeakPolarHBondContact O-CD2 3.2Å; R1125-Y1129 PolarHBondContact O-N 3.1Å; L1126-Y1129 PolarHBondContact O-N 3.22Å; L1126-Y1129 VanDerWaalsContact O-N 3.08Å; Y1127-Y1129 PolarHBondContact O-N 3.42Å; Y1127-Y1129 VanDerWaalsContact O-N 3.14Å; Y1129-K1132 PolarHBondContact O-N 3.11Å; Y1129-M1133 WeakPolarHBondContact O-CG 3.49Å; Y1129-M1133 PolarHBondContact O-N 3.34Å
1130	E	72.4	Confident	69.4	Low	87 Å²	87	92.9 Å²	92.9	41%	0.407	45%	0.451	S	S	.	.	H	α-helix	trans	-62.1	-45.9	176.2	-159.9	-167.9	113.2	0	0	111.8	L1126 Y1127 K1132 M1133 K1134	L1126-E1130 PolarHBondContact O-N 2.85Å; Y1127-E1130 WeakPolarHBondContact O-CA 3.3Å; Y1127-E1130 WeakPolarHBondContact O-CB 3.46Å; Y1127-E1130 PolarHBondContact O-N 3.37Å; E1130-K1132 VanDerWaalsContact C-N 3.34Å; E1130-K1132 PolarHBondContact O-N 3.48Å; E1130-M1133 WeakPolarHBondContact O-CA 3.35Å; E1130-M1133 WeakPolarHBondContact O-CB 3.43Å; E1130-M1133 PolarHBondContact O-N 3.34Å; E1130-K1134 WeakPolarHBondContact O-CG 3.45Å; E1130-K1134 PolarHBondContact O-N 2.79Å; E1130-K1134 WeakPolarHBondContact OE1-CE 3.39Å; E1130-K1134 IonicContact OE1-NZ 2.77Å; E1130-K1134 PolarHBondContact OE1-NZ 3.18Å
1131	D	74.2	Confident	71	Confident	81 Å²	81	93.3 Å²	93.3	43%	0.433	45%	0.449	S	S	.	.	H	α-helix	trans	-69.7	-33.2	179.7	-60.7	-36.3	0	0	0	112.3	Y1127 M1133 K1134 E1135	Y1127-D1131 PolarHBondContact O-N 3.42Å; D1131-M1133 VanDerWaalsContact C-N 3.29Å; D1131-M1133 PolarHBondContact O-N 2.95Å; D1131-K1134 PolarHBondContact O-N 2.89Å; D1131-K1134 IonicContact OD1-NZ 3.83Å; D1131-K1134 PolarHBondContact OD1-NZ 2.97Å; D1131-E1135 PolarHBondContact O-N 2.96Å
1132	K	75.3	Confident	72.4	Confident	107 Å²	107	92.6 Å²	92.6	47%	0.465	44%	0.438	S	S	.	.	H	α-helix	trans	-64.7	-32.3	169.3	-71.1	-178.9	-170.1	88.5	0	112.3	S1128 Y1129 E1130 I1136	S1128-K1132 WeakPolarHBondContact O-CD 3.29Å; S1128-K1132 VanDerWaalsContact O-CG 3.24Å; S1128-K1132 WeakPolarHBondContact O-CG 3.45Å; S1128-K1132 PolarHBondContact O-NZ 2.6Å; S1128-K1132 PolarHBondContact OG-NZ 2.89Å; Y1129-K1132 PolarHBondContact O-N 3.11Å; E1130-K1132 VanDerWaalsContact C-N 3.34Å; E1130-K1132 PolarHBondContact O-N 3.48Å; K1132-I1136 WeakPolarHBondContact O-CB 3.49Å; K1132-I1136 WeakPolarHBondContact O-CD1 3.49Å; K1132-I1136 WeakPolarHBondContact O-CG1 3.45Å; K1132-I1136 PolarHBondContact O-N 2.99Å; K1132-I1136 VanDerWaalsContact O-N 3.1Å
1133	M	68.9	Low	73.4	Confident	62 Å²	62	90.8 Å²	90.8	31%	0.305	43%	0.429	S	S	.	.	H	α-helix	trans	-69	-42.3	171.5	-70.7	-60.3	105.3	0	0	111.6	L1071 Y1129 E1130 D1131 E1135 I1136 V1137	L1071-M1133 HydrophobicContact CD1-CE 3.91Å; L1071-M1133 HydrophobicContact CD1-SD 4.24Å; Y1129-M1133 WeakPolarHBondContact O-CG 3.49Å; Y1129-M1133 PolarHBondContact O-N 3.34Å; E1130-M1133 WeakPolarHBondContact O-CA 3.35Å; E1130-M1133 WeakPolarHBondContact O-CB 3.43Å; E1130-M1133 PolarHBondContact O-N 3.34Å; D1131-M1133 VanDerWaalsContact C-N 3.29Å; D1131-M1133 PolarHBondContact O-N 2.95Å; M1133-E1135 PolarHBondContact O-N 3.13Å; M1133-I1136 HydrophobicContact CE-CD1 3.86Å; M1133-I1136 PolarHBondContact O-N 2.81Å; M1133-V1137 WeakPolarHBondContact O-CG2 3.27Å; M1133-V1137 PolarHBondContact O-N 3.32Å
1134	K	79.9	Confident	74.4	Confident	97 Å²	97	89.3 Å²	89.3	42%	0.422	43%	0.43	S	S	.	.	H	α-helix	trans	-57.8	-47.8	177	-65.8	167.9	-163.7	155.6	0	111.5	E1130 D1131 V1137 R1138	E1130-K1134 WeakPolarHBondContact O-CG 3.45Å; E1130-K1134 PolarHBondContact O-N 2.79Å; E1130-K1134 WeakPolarHBondContact OE1-CE 3.39Å; E1130-K1134 IonicContact OE1-NZ 2.77Å; E1130-K1134 PolarHBondContact OE1-NZ 3.18Å; D1131-K1134 PolarHBondContact O-N 2.89Å; D1131-K1134 IonicContact OD1-NZ 3.83Å; D1131-K1134 PolarHBondContact OD1-NZ 2.97Å; K1134-V1137 PolarHBondContact O-N 3.07Å; K1134-R1138 PolarHBondContact O-N 3.31Å
1135	E	79.2	Confident	75.5	Confident	79 Å²	79	91.5 Å²	91.5	37%	0.369	43%	0.43	S	S	.	.	H	α-helix	trans	-68.5	-35.4	178.3	-176.7	57.3	-165.6	0	0	112.4	D1131 M1133 V1137 R1138 L1139	D1131-E1135 PolarHBondContact O-N 2.96Å; M1133-E1135 PolarHBondContact O-N 3.13Å; E1135-V1137 VanDerWaalsContact C-N 3.3Å; E1135-V1137 PolarHBondContact O-N 3.27Å; E1135-R1138 PolarHBondContact O-N 3.49Å; E1135-R1138 IonicContact OE1-CZ 3.68Å; E1135-R1138 IonicContact OE1-NE 3.28Å; E1135-R1138 PolarHBondContact OE1-NE 3.01Å; E1135-R1138 IonicContact OE1-NH2 2.88Å; E1135-R1138 PolarHBondContact OE1-NH2 3.1Å; E1135-R1138 WeakPolarHBondContact OE2-CD 3.48Å; E1135-R1138 IonicContact OE2-CZ 2.71Å; E1135-R1138 IonicContact OE2-NE 2.69Å; E1135-R1138 PolarHBondContact OE2-NE 3.49Å; E1135-R1138 IonicContact OE2-NH2 2.63Å; E1135-L1139 HydrophobicContact CG-CD1 4.02Å; E1135-L1139 HydrophobicContact CG-CG 4.36Å; E1135-L1139 WeakPolarHBondContact O-CB 3.27Å; E1135-L1139 VanDerWaalsContact O-CG 3.28Å; E1135-L1139 WeakPolarHBondContact O-CG 3.49Å; E1135-L1139 PolarHBondContact O-N 3.35Å
1136	I	72.1	Confident	76.3	Confident	60 Å²	60	88.8 Å²	88.8	31%	0.308	42%	0.424	S	S	.	.	H	α-helix	trans	-64.6	-32.4	172.8	-74.5	169	0	0	0	112	K1132 M1133 R1140	K1132-I1136 WeakPolarHBondContact O-CB 3.49Å; K1132-I1136 WeakPolarHBondContact O-CD1 3.49Å; K1132-I1136 WeakPolarHBondContact O-CG1 3.45Å; K1132-I1136 PolarHBondContact O-N 2.99Å; K1132-I1136 VanDerWaalsContact O-N 3.1Å; M1133-I1136 HydrophobicContact CE-CD1 3.86Å; M1133-I1136 PolarHBondContact O-N 2.81Å; I1136-R1140 WeakPolarHBondContact O-CB 3.48Å; I1136-R1140 WeakPolarHBondContact O-CD 3.33Å; I1136-R1140 WeakPolarHBondContact O-CG 3.45Å; I1136-R1140 PolarHBondContact O-N 2.9Å; I1136-R1140 VanDerWaalsContact O-N 3.13Å
1137	V	78.7	Confident	77.2	Confident	79 Å²	79	89.8 Å²	89.8	48%	0.479	43%	0.425	S	S	.	.	H	α-helix	trans	-69	-48.7	171.7	172.6	0	0	0	0	110.5	M1133 K1134 E1135 L1139 R1140 E1141	M1133-V1137 WeakPolarHBondContact O-CG2 3.27Å; M1133-V1137 PolarHBondContact O-N 3.32Å; K1134-V1137 PolarHBondContact O-N 3.07Å; E1135-V1137 VanDerWaalsContact C-N 3.3Å; E1135-V1137 PolarHBondContact O-N 3.27Å; V1137-L1139 VanDerWaalsContact C-N 3.32Å; V1137-L1139 PolarHBondContact O-N 2.91Å; V1137-R1140 WeakPolarHBondContact O-CA 3.34Å; V1137-R1140 WeakPolarHBondContact O-CB 3.47Å; V1137-R1140 PolarHBondContact O-N 3.3Å; V1137-E1141 PolarHBondContact O-N 3.03Å
1138	R	84	Confident	77.8	Confident	105 Å²	105	91.8 Å²	91.8	40%	0.396	44%	0.438	S	S	.	.	H	α-helix	trans	-55.7	-45.8	177.5	-161.9	-165.8	70.2	68.7	8.2	112.1	K1134 E1135 R1140 E1141 E1142	K1134-R1138 PolarHBondContact O-N 3.31Å; E1135-R1138 PolarHBondContact O-N 3.49Å; E1135-R1138 IonicContact OE1-CZ 3.68Å; E1135-R1138 IonicContact OE1-NE 3.28Å; E1135-R1138 PolarHBondContact OE1-NE 3.01Å; E1135-R1138 IonicContact OE1-NH2 2.88Å; E1135-R1138 PolarHBondContact OE1-NH2 3.1Å; E1135-R1138 WeakPolarHBondContact OE2-CD 3.48Å; E1135-R1138 IonicContact OE2-CZ 2.71Å; E1135-R1138 IonicContact OE2-NE 2.69Å; E1135-R1138 PolarHBondContact OE2-NE 3.49Å; E1135-R1138 IonicContact OE2-NH2 2.63Å; R1138-R1140 VanDerWaalsContact C-N 3.34Å; R1138-R1140 PolarHBondContact O-N 2.94Å; R1138-E1141 PolarHBondContact O-N 3.06Å; R1138-E1142 IonicContact CZ-OE2 2.61Å; R1138-E1142 IonicContact NH1-OE1 2.66Å; R1138-E1142 IonicContact NH1-OE2 2.76Å; R1138-E1142 PolarHBondContact NH1-OE2 3.35Å; R1138-E1142 IonicContact NH2-OE2 3.13Å; R1138-E1142 PolarHBondContact NH2-OE2 3.05Å; R1138-E1142 WeakPolarHBondContact O-CB 3.21Å; R1138-E1142 PolarHBondContact O-N 3.44Å
1139	L	82.4	Confident	78.6	Confident	71 Å²	71	93.4 Å²	93.4	37%	0.372	44%	0.439	S	S	.	.	H	α-helix	trans	-66	-32.5	176.3	-69.7	169.6	0	0	0	112.6	E1135 V1137 I1143	E1135-L1139 HydrophobicContact CG-CD1 4.02Å; E1135-L1139 HydrophobicContact CG-CG 4.36Å; E1135-L1139 WeakPolarHBondContact O-CB 3.27Å; E1135-L1139 VanDerWaalsContact O-CG 3.28Å; E1135-L1139 WeakPolarHBondContact O-CG 3.49Å; E1135-L1139 PolarHBondContact O-N 3.35Å; V1137-L1139 VanDerWaalsContact C-N 3.32Å; V1137-L1139 PolarHBondContact O-N 2.91Å; L1139-I1143 VanDerWaalsContact O-CB 3.24Å; L1139-I1143 WeakPolarHBondContact O-CB 3.5Å; L1139-I1143 WeakPolarHBondContact O-CD1 3.42Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.44Å; L1139-I1143 PolarHBondContact O-N 3.27Å
1140	R	80.9	Confident	79.7	Confident	128 Å²	128	93.5 Å²	93.5	48%	0.483	45%	0.446	S	S	.	.	H	α-helix	trans	-67.1	-40.1	174.1	-79.8	168.4	178.8	-96.9	-10	112	I1136 V1137 R1138 S1144	I1136-R1140 WeakPolarHBondContact O-CB 3.48Å; I1136-R1140 WeakPolarHBondContact O-CD 3.33Å; I1136-R1140 WeakPolarHBondContact O-CG 3.45Å; I1136-R1140 PolarHBondContact O-N 2.9Å; I1136-R1140 VanDerWaalsContact O-N 3.13Å; V1137-R1140 WeakPolarHBondContact O-CA 3.34Å; V1137-R1140 WeakPolarHBondContact O-CB 3.47Å; V1137-R1140 PolarHBondContact O-N 3.3Å; R1138-R1140 VanDerWaalsContact C-N 3.34Å; R1138-R1140 PolarHBondContact O-N 2.94Å; R1140-S1144 WeakPolarHBondContact O-CB 3.47Å; R1140-S1144 PolarHBondContact O-N 2.92Å
1141	E	83.4	Confident	80.3	Confident	130 Å²	130	90.5 Å²	90.5	61%	0.607	44%	0.438	S	S	*	.	H	α-helix	trans	-65.3	-47.9	174.8	-68	175.8	173.8	0	0	111.3	V1137 R1138 I1143 S1144 K1145	V1137-E1141 PolarHBondContact O-N 3.03Å; R1138-E1141 PolarHBondContact O-N 3.06Å; E1141-I1143 PolarHBondContact O-N 3.22Å; E1141-S1144 WeakPolarHBondContact O-CA 3.46Å; E1141-S1144 VanDerWaalsContact O-CB 3.31Å; E1141-S1144 WeakPolarHBondContact O-CB 3.39Å; E1141-S1144 PolarHBondContact O-N 2.84Å; E1141-K1145 PolarHBondContact O-N 3.34Å
1142	E	80	Confident	80.7	Confident	90 Å²	90	88.7 Å²	88.7	42%	0.421	43%	0.434	S	S	.	.	H	α-helix	trans	-63	-40.6	179	-170.1	155.8	-130.4	0	0	112.2	R1138 S1144 K1145 M1146	R1138-E1142 IonicContact CZ-OE2 2.61Å; R1138-E1142 IonicContact NH1-OE1 2.66Å; R1138-E1142 IonicContact NH1-OE2 2.76Å; R1138-E1142 PolarHBondContact NH1-OE2 3.35Å; R1138-E1142 IonicContact NH2-OE2 3.13Å; R1138-E1142 PolarHBondContact NH2-OE2 3.05Å; R1138-E1142 WeakPolarHBondContact O-CB 3.21Å; R1138-E1142 PolarHBondContact O-N 3.44Å; E1142-S1144 VanDerWaalsContact C-N 3.3Å; E1142-S1144 PolarHBondContact O-N 2.95Å; E1142-K1145 PolarHBondContact O-N 3.12Å; E1142-M1146 WeakPolarHBondContact O-CG 3.5Å; E1142-M1146 PolarHBondContact O-N 2.96Å
1143	I	73.1	Confident	81.2	Confident	71 Å²	71	88.3 Å²	88.3	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-66.2	-29.7	171.3	-71.3	167.2	0	0	0	112.2	L1139 E1141 M1146 K1147	L1139-I1143 VanDerWaalsContact O-CB 3.24Å; L1139-I1143 WeakPolarHBondContact O-CB 3.5Å; L1139-I1143 WeakPolarHBondContact O-CD1 3.42Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.44Å; L1139-I1143 PolarHBondContact O-N 3.27Å; E1141-I1143 PolarHBondContact O-N 3.22Å; I1143-M1146 HydrophobicContact CG1-CE 4Å; I1143-K1147 HydrophobicContact CG2-CD 4.47Å; I1143-K1147 WeakPolarHBondContact O-CD 3.44Å; I1143-K1147 VanDerWaalsContact O-CG 3.29Å; I1143-K1147 WeakPolarHBondContact O-CG 3.44Å; I1143-K1147 PolarHBondContact O-N 3.03Å
1144	S	83.4	Confident	82	Confident	74 Å²	74	90.8 Å²	90.8	52%	0.517	45%	0.45	S	S	.	.	H	α-helix	trans	-70.6	-46.8	174.6	-159.9	0	0	0	0	110.9	R1140 E1141 E1142 M1146 K1147 E1148	R1140-S1144 WeakPolarHBondContact O-CB 3.47Å; R1140-S1144 PolarHBondContact O-N 2.92Å; E1141-S1144 WeakPolarHBondContact O-CA 3.46Å; E1141-S1144 VanDerWaalsContact O-CB 3.31Å; E1141-S1144 WeakPolarHBondContact O-CB 3.39Å; E1141-S1144 PolarHBondContact O-N 2.84Å; E1142-S1144 VanDerWaalsContact C-N 3.3Å; E1142-S1144 PolarHBondContact O-N 2.95Å; S1144-M1146 PolarHBondContact O-N 3.5Å; S1144-K1147 WeakPolarHBondContact O-CB 3.41Å; S1144-K1147 PolarHBondContact O-N 3.44Å; S1144-K1147 VanDerWaalsContact O-N 3.1Å; S1144-E1148 PolarHBondContact O-N 3.38Å; S1144-E1148 VanDerWaalsContact O-N 3.11Å
1145	K	84.9	Confident	82.3	Confident	124 Å²	124	93.7 Å²	93.7	54%	0.539	46%	0.458	S	S	.	.	H	α-helix	trans	-58.6	-47	175.5	-174.8	172.3	-179.4	-70.2	0	111.8	E1141 E1142 K1147 E1148 E1149	E1141-K1145 PolarHBondContact O-N 3.34Å; E1142-K1145 PolarHBondContact O-N 3.12Å; K1145-K1147 VanDerWaalsContact C-N 3.27Å; K1145-K1147 PolarHBondContact O-N 3.15Å; K1145-E1148 PolarHBondContact O-N 2.92Å; K1145-E1148 VanDerWaalsContact O-N 3.13Å; K1145-E1149 IonicContact NZ-OE1 3.85Å; K1145-E1149 PolarHBondContact NZ-OE1 3.29Å; K1145-E1149 WeakPolarHBondContact O-CG 3.32Å; K1145-E1149 PolarHBondContact O-N 3.27Å
1146	M	83.1	Confident	82.5	Confident	89 Å²	89	93.7 Å²	93.7	44%	0.438	46%	0.464	S	S	.	.	H	α-helix	trans	-60.9	-32	175	-75.3	-168.4	-69.2	0	0	113.3	E1142 I1143 S1144 N1150	E1142-M1146 WeakPolarHBondContact O-CG 3.5Å; E1142-M1146 PolarHBondContact O-N 2.96Å; I1143-M1146 HydrophobicContact CG1-CE 4Å; S1144-M1146 PolarHBondContact O-N 3.5Å; M1146-N1150 VanDerWaalsContact O-CB 3.3Å; M1146-N1150 WeakPolarHBondContact O-CB 2.85Å; M1146-N1150 PolarHBondContact O-N 2.86Å; M1146-N1150 PolarHBondContact O-ND2 2.94Å
1147	K	83.9	Confident	83	Confident	113 Å²	113	95.8 Å²	95.8	49%	0.491	47%	0.474	S	S	.	.	H	α-helix	trans	-71	-37.1	175	-76	166.8	-175.3	167.5	0	112.4	I1143 S1144 K1145 G1151	I1143-K1147 HydrophobicContact CG2-CD 4.47Å; I1143-K1147 WeakPolarHBondContact O-CD 3.44Å; I1143-K1147 VanDerWaalsContact O-CG 3.29Å; I1143-K1147 WeakPolarHBondContact O-CG 3.44Å; I1143-K1147 PolarHBondContact O-N 3.03Å; S1144-K1147 WeakPolarHBondContact O-CB 3.41Å; S1144-K1147 PolarHBondContact O-N 3.44Å; S1144-K1147 VanDerWaalsContact O-N 3.1Å; K1145-K1147 VanDerWaalsContact C-N 3.27Å; K1145-K1147 PolarHBondContact O-N 3.15Å; K1147-G1151 PolarHBondContact O-N 3.02Å
1148	E	83	Confident	83.1	Confident	138 Å²	138	95.1 Å²	95.1	65%	0.645	47%	0.473	S	S	*	.	H	α-helix	trans	-66.8	-45.2	175.6	-177.7	164.8	-148.6	0	0	111.2	S1144 K1145 G1151 A1152	S1144-E1148 PolarHBondContact O-N 3.38Å; S1144-E1148 VanDerWaalsContact O-N 3.11Å; K1145-E1148 PolarHBondContact O-N 2.92Å; K1145-E1148 VanDerWaalsContact O-N 3.13Å; E1148-G1151 CarbonylContact O-C 3.58Å; E1148-G1151 PolarHBondContact O-N 3.42Å; E1148-A1152 PolarHBondContact O-N 3.4Å
1149	E	85.1	Confident	83	Confident	89 Å²	89	95.8 Å²	95.8	42%	0.416	48%	0.479	S	S	.	.	H	α-helix	trans	-61.3	-47.1	174.9	-71.2	171	176	0	0	112	K1145 G1151 A1152 L1153	K1145-E1149 IonicContact NZ-OE1 3.85Å; K1145-E1149 PolarHBondContact NZ-OE1 3.29Å; K1145-E1149 WeakPolarHBondContact O-CG 3.32Å; K1145-E1149 PolarHBondContact O-N 3.27Å; E1149-G1151 VanDerWaalsContact C-N 3.32Å; E1149-G1151 PolarHBondContact O-N 2.96Å; E1149-A1152 WeakPolarHBondContact O-CB 3.48Å; E1149-A1152 PolarHBondContact O-N 3.39Å; E1149-L1153 PolarHBondContact O-N 3.4Å
1150	N	86	Confident	82.7	Confident	90 Å²	90	99.1 Å²	99.1	48%	0.481	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-37.2	173.7	-80	-66.3	0	0	0	112	M1146 A1152 L1153 I1154	M1146-N1150 VanDerWaalsContact O-CB 3.3Å; M1146-N1150 WeakPolarHBondContact O-CB 2.85Å; M1146-N1150 PolarHBondContact O-N 2.86Å; M1146-N1150 PolarHBondContact O-ND2 2.94Å; N1150-A1152 VanDerWaalsContact C-N 3.35Å; N1150-L1153 PolarHBondContact O-N 2.98Å; N1150-I1154 WeakPolarHBondContact O-CB 3.41Å; N1150-I1154 VanDerWaalsContact O-CG1 3.27Å; N1150-I1154 WeakPolarHBondContact O-CG1 3.39Å; N1150-I1154 PolarHBondContact O-N 3.45Å
1151	G	84.9	Confident	82.4	Confident	24 Å²	24	97 Å²	97	25%	0.247	50%	0.501	C	S	.	.	H	α-helix	trans	-66.3	-33.7	173.9	0	0	0	0	0	113.1	K1147 E1148 E1149 R1155	K1147-G1151 PolarHBondContact O-N 3.02Å; E1148-G1151 CarbonylContact O-C 3.58Å; E1148-G1151 PolarHBondContact O-N 3.42Å; E1149-G1151 VanDerWaalsContact C-N 3.32Å; E1149-G1151 PolarHBondContact O-N 2.96Å; G1151-R1155 WeakPolarHBondContact O-CG 3.24Å; G1151-R1155 PolarHBondContact O-N 3.19Å; G1151-R1155 PolarHBondContact O-NE 3.28Å
1152	A	83.3	Confident	81.6	Confident	42 Å²	42	97.8 Å²	97.8	35%	0.347	50%	0.502	S	S	.	.	H	α-helix	trans	-67.8	-47.6	170.4	0	0	0	0	0	111.2	E1148 E1149 N1150 I1154 R1155 V1156	E1148-A1152 PolarHBondContact O-N 3.4Å; E1149-A1152 WeakPolarHBondContact O-CB 3.48Å; E1149-A1152 PolarHBondContact O-N 3.39Å; N1150-A1152 VanDerWaalsContact C-N 3.35Å; A1152-I1154 PolarHBondContact O-N 3.28Å; A1152-R1155 WeakPolarHBondContact O-CB 3.44Å; A1152-R1155 PolarHBondContact O-N 2.8Å; A1152-R1155 VanDerWaalsContact O-N 3.1Å; A1152-V1156 WeakPolarHBondContact O-CG2 3.49Å; A1152-V1156 PolarHBondContact O-N 2.79Å
1153	L	85.4	Confident	80.8	Confident	100 Å²	100	99.6 Å²	99.6	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-56.8	-45.9	175.4	-83.8	161.4	0	0	0	112.5	E1149 N1150 R1155 V1156 I1157	E1149-L1153 PolarHBondContact O-N 3.4Å; N1150-L1153 PolarHBondContact O-N 2.98Å; L1153-R1155 VanDerWaalsContact C-N 3.31Å; L1153-R1155 PolarHBondContact O-N 2.98Å; L1153-V1156 PolarHBondContact O-N 3.22Å; L1153-I1157 WeakPolarHBondContact O-CB 3.35Å; L1153-I1157 VanDerWaalsContact O-CG1 3.27Å; L1153-I1157 WeakPolarHBondContact O-CG1 3.47Å; L1153-I1157 PolarHBondContact O-N 3.29Å
1154	I	85.9	Confident	79.5	Confident	114 Å²	114	107.8 Å²	107.8	59%	0.585	56%	0.564	S	S	*	*	H	α-helix	trans	-61.4	-39.1	176.2	-70	164.3	0	0	0	111.2	N1150 A1152 S1158	N1150-I1154 WeakPolarHBondContact O-CB 3.41Å; N1150-I1154 VanDerWaalsContact O-CG1 3.27Å; N1150-I1154 WeakPolarHBondContact O-CG1 3.39Å; N1150-I1154 PolarHBondContact O-N 3.45Å; A1152-I1154 PolarHBondContact O-N 3.28Å; I1154-S1158 WeakPolarHBondContact O-CB 3.42Å; I1154-S1158 PolarHBondContact O-N 3.06Å
1155	R	85.7	Confident	79.3	Confident	157 Å²	157	109.5 Å²	109.5	59%	0.592	57%	0.566	S	S	*	*	H	α-helix	trans	-67.2	-39.4	175.3	-75.7	174.5	-72.4	-176.3	2.4	112.4	G1151 A1152 L1153 S1158 K1159	G1151-R1155 WeakPolarHBondContact O-CG 3.24Å; G1151-R1155 PolarHBondContact O-N 3.19Å; G1151-R1155 PolarHBondContact O-NE 3.28Å; A1152-R1155 WeakPolarHBondContact O-CB 3.44Å; A1152-R1155 PolarHBondContact O-N 2.8Å; A1152-R1155 VanDerWaalsContact O-N 3.1Å; L1153-R1155 VanDerWaalsContact C-N 3.31Å; L1153-R1155 PolarHBondContact O-N 2.98Å; R1155-S1158 PolarHBondContact O-N 3.23Å; R1155-K1159 PolarHBondContact O-N 3.34Å
1156	V	82.9	Confident	79	Confident	80 Å²	80	108.7 Å²	108.7	49%	0.485	57%	0.568	S	S	.	*	H	α-helix	trans	-65.8	-49	174.9	171.7	0	0	0	0	110.8	A1152 L1153 S1158 K1159 L1160	A1152-V1156 WeakPolarHBondContact O-CG2 3.49Å; A1152-V1156 PolarHBondContact O-N 2.79Å; L1153-V1156 PolarHBondContact O-N 3.22Å; V1156-S1158 VanDerWaalsContact C-N 3.3Å; V1156-S1158 PolarHBondContact O-N 3.49Å; V1156-K1159 WeakPolarHBondContact O-CB 3.44Å; V1156-K1159 PolarHBondContact O-N 3.17Å; V1156-K1159 VanDerWaalsContact O-N 3.11Å; V1156-L1160 HydrophobicContact CG1-CD1 3.88Å; V1156-L1160 HydrophobicContact CG1-CG 4.49Å; V1156-L1160 WeakPolarHBondContact O-CG 3.27Å; V1156-L1160 PolarHBondContact O-N 2.93Å
1157	I	82.8	Confident	78.8	Confident	104 Å²	104	109.8 Å²	109.8	53%	0.533	58%	0.575	S	S	.	*	H	α-helix	trans	-58.7	-43	176	-67.2	164.4	0	0	0	110.2	L1153 K1159 L1160 S1161	L1153-I1157 WeakPolarHBondContact O-CB 3.35Å; L1153-I1157 VanDerWaalsContact O-CG1 3.27Å; L1153-I1157 WeakPolarHBondContact O-CG1 3.47Å; L1153-I1157 PolarHBondContact O-N 3.29Å; I1157-K1159 VanDerWaalsContact C-N 3.33Å; I1157-K1159 PolarHBondContact O-N 2.64Å; I1157-L1160 CarbonylContact O-C 3.52Å; I1157-L1160 PolarHBondContact O-N 2.65Å; I1157-S1161 VanDerWaalsContact O-CB 3.27Å; I1157-S1161 WeakPolarHBondContact O-CB 3.4Å; I1157-S1161 PolarHBondContact O-N 3.37Å; I1157-S1161 PolarHBondContact O-OG 2.79Å
1158	S	82	Confident	78.5	Confident	64 Å²	64	109.6 Å²	109.6	45%	0.448	58%	0.58	S	S	.	*	H	α-helix	trans	-71.2	-20.6	177.8	-175.8	0	0	0	0	114.6	I1154 R1155 V1156	I1154-S1158 WeakPolarHBondContact O-CB 3.42Å; I1154-S1158 PolarHBondContact O-N 3.06Å; R1155-S1158 PolarHBondContact O-N 3.23Å; V1156-S1158 VanDerWaalsContact C-N 3.3Å; V1156-S1158 PolarHBondContact O-N 3.49Å
1159	K	81.5	Confident	78.2	Confident	119 Å²	119	107.8 Å²	107.8	52%	0.517	58%	0.576	S	S	.	*	H	α-helix	trans	-73.9	-45.6	165.6	-81.3	-170.1	177.3	-174.1	0	110.6	D472 R1155 V1156 I1157 S1161	D472-K1159 IonicContact OD1-NZ 2.78Å; D472-K1159 IonicContact OD2-NZ 3.85Å; D472-K1159 PolarHBondContact OD2-NZ 3.06Å; R1155-K1159 PolarHBondContact O-N 3.34Å; V1156-K1159 WeakPolarHBondContact O-CB 3.44Å; V1156-K1159 PolarHBondContact O-N 3.17Å; V1156-K1159 VanDerWaalsContact O-N 3.11Å; I1157-K1159 VanDerWaalsContact C-N 3.33Å; I1157-K1159 PolarHBondContact O-N 2.64Å; K1159-S1161 VanDerWaalsContact C-N 3.35Å
1160	L	75.9	Confident	77.7	Confident	141 Å²	141	109.1 Å²	109.1	74%	0.738	59%	0.586	S	S	*	*	H	α-helix	trans	-72.1	-23.3	-178.5	-66.6	171.6	0	0	0	113.9	V1156 I1157 K1162	V1156-L1160 HydrophobicContact CG1-CD1 3.88Å; V1156-L1160 HydrophobicContact CG1-CG 4.49Å; V1156-L1160 WeakPolarHBondContact O-CG 3.27Å; V1156-L1160 PolarHBondContact O-N 2.93Å; I1157-L1160 CarbonylContact O-C 3.52Å; I1157-L1160 PolarHBondContact O-N 2.65Å; L1160-K1162 VanDerWaalsContact C-N 3.33Å
1161	S	74.3	Confident	77.1	Confident	83 Å²	83	110.4 Å²	110.4	58%	0.58	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	9.7	179.4	80	0	0	0	0	114	I1157 K1159	I1157-S1161 VanDerWaalsContact O-CB 3.27Å; I1157-S1161 WeakPolarHBondContact O-CB 3.4Å; I1157-S1161 PolarHBondContact O-N 3.37Å; I1157-S1161 PolarHBondContact O-OG 2.79Å; K1159-S1161 VanDerWaalsContact C-N 3.35Å
1162	K	66.7	Low	76.5	Confident	147 Å²	147	117.1 Å²	117.1	64%	0.639	62%	0.62	S	S	*	*	S	Bend	trans	-81.5	130.3	167.3	-70.6	-178.9	179.1	-176.7	0	108.2	L1160	L1160-K1162 VanDerWaalsContact C-N 3.33Å
1163	P	62	Low	76	Confident	128 Å²	128	123.3 Å²	123.3	83%	0.831	64%	0.643	S	S	*	*			trans	-62.2	146.1	171.9	28.1	-33.8	0	0	0	110.1
1164	I	46.3	Very low	75.1	Confident	243 Å²	243	125.5 Å²	125.5	100%	1.246	65%	0.654	S	S	*	*			trans	-78.9	0	175.3	-59.7	175.1	0	0	0	109.3

Retrieved 1,164 of 1,164 residues in 285.3 ms (Link to these results)

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