A0A5K4F0F6_SCHMA Loading...

FREAC-7-like protein

AlphaFold DB , UniProt , Accession A0A5K4F0F6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,053 aa.

						>A0A5K4F0F6_SCHMA|A0A5K4F0F6
MSLNIYPQSFDLYGNNLKLLAEKLRKNWMQKLSNSDQTDDSLTSLTWLYDANPVSMNPEATAHFEGKEVNLCFSLYDNYNRYSCGGNQPVTGSLLDPQIRLEYRTKWTGKPPFSYATLICLAMRELGKPKVTLSDIYGWIMNNFAYYRHTDSSWQNSVRHNLSLNKCFEKVPRDKGERGKGGFWRVNPRHIDWLEANLAKCRRSAPPPGPPPPIPRSMLLQQRKMQQQNQCQQALLPRNLMLSPPSVSIGNHVITTSSFNANICISESSNDPAKTHHIAALSPSSNSSLSSSPLSFASVGSPANLQSARIPLTPGHTTYPNGVHTFFMNRSIHSELNNSSILPPISLSANISQSYLTQAIPCHRRKSPLFKNHLQESIAQNAIFESDDGFSDNEISQSLTENAHSTTNTINKSLNIHPKLNMCDPNHTTPNLHPECARKTRVNSNSNLNSLSYKRHSLLRNNNGNNNIELLDQQSDYHSSCKPRSKASLDKSRINNRSSISERFKRSKSKQTIKQCGSNEMKVLPTRVLPPRQRYSRWSLPRPHPITVSNLENDKQENEWNGRNTLETTNRRKERKYDKDNVAEWDHGDHLQKSGLSPLLDFIDSDNDDINCIDDNMTSHNSWPLLNKVEDRLADTSDYINTEFRKTELVKSNTLSSCDLYKDYCLPNYNTYYQPVNDSQCQYSSNFITTNNEETVILSGPSSSSSTSVFRCHSNNFNFYCSSTDNFHSSSCDTYGNQCSPHNNTGDGLKTSQSTVESEFVVNDSVEKTYFLSKTTDNNITNTPSTTDKSKLPIWASVFLSDDNHSDLDCLFNDNKHNDESFNLFSNESFESGIHSNSTLHSSPVSLSSPTSLTLPPSSYSLTTSSFLFKTEKNEPDLFINSSKQTTDSSSNRSSNDDNNNSNNSILEDLGLDSVDLDFESLNELVENDEHIPLDIDFNLSASFNNDNFLDPSDLPSQEWNNSSLISNTTDNRSSMPDSLLCDKAHQQKQPQWPENLAAENDTMQESITNDSYWLNNTQTFSTSSGLPMFLSESSVNMFEENFTENVVRMCNE
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.1	Very low	32	Very low	243 Å²	243	122.3 Å²	122.3	100%	1.197	64%	0.641	S	S	*	*				0	170.3	0	-86.7	-177.6	170.9	0	0	108.3
2	S	27.2	Very low	32.6	Very low	107 Å²	107	119.6 Å²	119.6	75%	0.748	63%	0.627	S	S	*	*			trans	-10.5	133.2	161.4	-41.5	0	0	0	0	115.9
3	L	30.4	Very low	32.9	Very low	160 Å²	160	119.7 Å²	119.7	84%	0.838	62%	0.615	S	S	*	*				-142.3	112.6	76.6	-86.2	156.5	0	0	0	113	I5	L3-I5 HydrophobicContact CD2-CD1 4.13Å
4	N	29.9	Very low	33.7	Very low	158 Å²	158	113.8 Å²	113.8	85%	0.845	60%	0.598	S	S	*	*			trans	-105.4	97.4	178.8	-163.7	9.5	0	0	0	109
5	I	31.6	Very low	34.9	Very low	116 Å²	116	111.3 Å²	111.3	60%	0.595	59%	0.586	S	S	*	*			trans	-136.5	83	179.2	-48.4	-178	0	0	0	112.2	L3	L3-I5 HydrophobicContact CD2-CD1 4.13Å
6	Y	29.6	Very low	36.2	Very low	118 Å²	118	110.6 Å²	110.6	46%	0.463	58%	0.582	S	S	.	*			trans	50.8	110.1	147.7	-80.1	-85.6	0	0	0	122.1	Q8 S9	Y6-Q8 HydrophobicContact CD1-CB 4.16Å; Y6-Q8 HydrophobicContact CD1-CG 3.92Å; Y6-Q8 PolarHBondContact O-N 2.7Å; Y6-S9 PolarHBondContact O-OG 2.79Å
7	P	34.9	Very low	37.7	Very low	101 Å²	101	109.3 Å²	109.3	66%	0.656	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-19.2	161.8	-23.8	35.2	0	0	0	115.5	S9 F10	P7-S9 PolarHBondContact O-N 3.29Å; P7-F10 PolarHBondContact O-N 3.37Å
8	Q	33.4	Very low	39.1	Very low	73 Å²	73	107.2 Å²	107.2	34%	0.341	56%	0.561	S	S	.	*	H	α-helix	trans	-53.4	-20.2	179.6	-81.5	179.1	-28.7	0	0	114.3	Y6 F10 L12 T786	Y6-Q8 HydrophobicContact CD1-CB 4.16Å; Y6-Q8 HydrophobicContact CD1-CG 3.92Å; Y6-Q8 PolarHBondContact O-N 2.7Å; Q8-F10 VanDerWaalsContact C-N 3.3Å; Q8-F10 PolarHBondContact O-N 3.29Å; Q8-L12 WeakPolarHBondContact O-CB 3.36Å; Q8-L12 PolarHBondContact O-N 2.88Å; Q8-L12 VanDerWaalsContact O-N 3.15Å; Q8-T786 HydrophobicContact CG-CG2 4.01Å
9	S	33.5	Very low	40.3	Very low	59 Å²	59	106.2 Å²	106.2	41%	0.413	56%	0.556	S	S	.	*	H	α-helix	trans	-58.5	-38.6	172.9	53	0	0	0	0	112.7	Y6 P7 L12 Y13	Y6-S9 PolarHBondContact O-OG 2.79Å; P7-S9 PolarHBondContact O-N 3.29Å; S9-L12 PolarHBondContact O-N 2.52Å; S9-Y13 WeakPolarHBondContact O-CB 3.31Å; S9-Y13 WeakPolarHBondContact O-CD2 3.42Å; S9-Y13 PolarHBondContact O-N 2.86Å
10	F	34.1	Very low	41.3	Very low	178 Å²	178	105 Å²	105	78%	0.781	55%	0.549	S	S	*	.	H	α-helix	trans	-67.9	-42.4	-178.3	-109.5	-101.6	0	0	0	112.6	P7 Q8 Y13 G14	P7-F10 PolarHBondContact O-N 3.37Å; Q8-F10 VanDerWaalsContact C-N 3.3Å; Q8-F10 PolarHBondContact O-N 3.29Å; F10-Y13 PolarHBondContact O-N 2.88Å; F10-G14 PolarHBondContact O-N 2.89Å
11	D	36.3	Very low	42.4	Very low	32 Å²	32	100.9 Å²	100.9	17%	0.171	53%	0.53	C	S	.	.	H	α-helix	trans	-67.4	-37.9	176	-60.9	-67.1	0	0	0	112.6	G14 N15 T786 T787	D11-G14 PolarHBondContact O-N 2.96Å; D11-N15 WeakPolarHBondContact O-CB 3.37Å; D11-N15 PolarHBondContact O-N 2.85Å; D11-N15 PolarHBondContact O-ND2 3.12Å; D11-T786 WeakPolarHBondContact OD2-CG2 3.28Å; D11-T787 WeakPolarHBondContact OD1-CA 3.49Å; D11-T787 WeakPolarHBondContact OD1-CG2 3.42Å
12	L	38.8	Very low	44.1	Very low	90 Å²	90	92.2 Å²	92.2	47%	0.471	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-40.3	175.5	-82.7	165.6	0	0	0	111.6	Q8 S9 N16	Q8-L12 WeakPolarHBondContact O-CB 3.36Å; Q8-L12 PolarHBondContact O-N 2.88Å; Q8-L12 VanDerWaalsContact O-N 3.15Å; S9-L12 PolarHBondContact O-N 2.52Å; L12-N16 WeakPolarHBondContact O-CB 3.21Å; L12-N16 PolarHBondContact O-N 3.24Å; L12-N16 VanDerWaalsContact O-N 3.14Å; L12-N16 PolarHBondContact O-ND2 2.88Å
13	Y	37.5	Very low	45.9	Very low	121 Å²	121	92.2 Å²	92.2	48%	0.475	47%	0.473	S	S	.	.	H	α-helix	trans	-68.4	-46.2	174	-86.3	-117.8	0	0	0	110.8	S9 F10 N15 N16 L17	S9-Y13 WeakPolarHBondContact O-CB 3.31Å; S9-Y13 WeakPolarHBondContact O-CD2 3.42Å; S9-Y13 PolarHBondContact O-N 2.86Å; F10-Y13 PolarHBondContact O-N 2.88Å; Y13-N15 PolarHBondContact O-N 3.14Å; Y13-N16 PolarHBondContact O-N 3.17Å; Y13-L17 WeakPolarHBondContact O-CB 3.22Å; Y13-L17 PolarHBondContact O-N 3.09Å
14	G	43.7	Very low	47.5	Very low	37 Å²	37	88 Å²	88	38%	0.381	45%	0.452	S	S	.	.	H	α-helix	trans	-57.4	-48.4	177.9	0	0	0	0	0	113	F10 D11 L17 K18	F10-G14 PolarHBondContact O-N 2.89Å; D11-G14 PolarHBondContact O-N 2.96Å; G14-L17 PolarHBondContact O-N 3.23Å; G14-K18 WeakPolarHBondContact O-CB 2.97Å; G14-K18 PolarHBondContact O-N 2.79Å
15	N	51.5	Low	49.6	Very low	77 Å²	77	85.6 Å²	85.6	41%	0.412	43%	0.431	S	S	.	.	H	α-helix	trans	-68.4	-38.6	179.2	-77.7	-67	0	0	0	113.1	D11 Y13 K18 L19	D11-N15 WeakPolarHBondContact O-CB 3.37Å; D11-N15 PolarHBondContact O-N 2.85Å; D11-N15 PolarHBondContact O-ND2 3.12Å; Y13-N15 PolarHBondContact O-N 3.14Å; N15-K18 PolarHBondContact O-N 2.86Å; N15-L19 VanDerWaalsContact O-CB 3.28Å; N15-L19 WeakPolarHBondContact O-CB 3.25Å; N15-L19 PolarHBondContact O-N 3.19Å
16	N	56.1	Low	51.3	Low	99 Å²	99	85.2 Å²	85.2	53%	0.529	43%	0.425	S	S	.	.	H	α-helix	trans	-67.6	-38.2	174.1	-81	-68.2	0	0	0	112.2	L12 Y13 L19 L20	L12-N16 WeakPolarHBondContact O-CB 3.21Å; L12-N16 PolarHBondContact O-N 3.24Å; L12-N16 VanDerWaalsContact O-N 3.14Å; L12-N16 PolarHBondContact O-ND2 2.88Å; Y13-N16 PolarHBondContact O-N 3.17Å; N16-L19 PolarHBondContact O-N 3.42Å; N16-L20 VanDerWaalsContact O-CB 3.32Å; N16-L20 WeakPolarHBondContact O-CB 3.46Å; N16-L20 PolarHBondContact O-N 3.5Å
17	L	62	Low	52.8	Low	89 Å²	89	82.9 Å²	82.9	47%	0.466	42%	0.42	S	S	.	.	H	α-helix	trans	-68.4	-38.1	177.2	-164.5	65.9	0	0	0	111.6	Y13 G14 L20 A21 F799	Y13-L17 WeakPolarHBondContact O-CB 3.22Å; Y13-L17 PolarHBondContact O-N 3.09Å; G14-L17 PolarHBondContact O-N 3.23Å; L17-L20 WeakPolarHBondContact O-CB 2.82Å; L17-L20 PolarHBondContact O-N 2.87Å; L17-A21 WeakPolarHBondContact O-CB 3.43Å; L17-A21 PolarHBondContact O-N 3.05Å; L17-F799 HydrophobicContact CD1-CE1 4.3Å; L17-F799 HydrophobicContact CD2-CE1 3.93Å; L17-F799 HydrophobicContact CG-CE1 3.96Å
18	K	62.1	Low	54.3	Low	71 Å²	71	85.5 Å²	85.5	31%	0.309	42%	0.417	S	S	.	.	H	α-helix	trans	-67.2	-40	172.8	-173.3	173.7	177.8	-170	0	111.9	G14 N15 A21 E22 K789 L800	G14-K18 WeakPolarHBondContact O-CB 2.97Å; G14-K18 PolarHBondContact O-N 2.79Å; N15-K18 PolarHBondContact O-N 2.86Å; K18-A21 PolarHBondContact O-N 2.98Å; K18-E22 WeakPolarHBondContact O-CB 3.25Å; K18-E22 PolarHBondContact O-N 2.94Å; K18-K789 WeakPolarHBondContact CE-O 3.49Å; K18-K789 PolarHBondContact NZ-O 3.43Å; K18-L800 HydrophobicContact CB-CD2 4.48Å; K18-L800 HydrophobicContact CD-CD2 4.12Å; K18-L800 HydrophobicContact CG-CD2 3.94Å
19	L	62.9	Low	56	Low	89 Å²	89	86.9 Å²	86.9	47%	0.466	43%	0.425	S	S	.	.	H	α-helix	trans	-67.4	-37	172.4	-177.2	64.1	0	0	0	112.3	N15 N16 E22 K23	N15-L19 VanDerWaalsContact O-CB 3.28Å; N15-L19 WeakPolarHBondContact O-CB 3.25Å; N15-L19 PolarHBondContact O-N 3.19Å; N16-L19 PolarHBondContact O-N 3.42Å; L19-E22 WeakPolarHBondContact O-CB 3.28Å; L19-E22 PolarHBondContact O-N 2.71Å; L19-K23 WeakPolarHBondContact O-CB 3.24Å; L19-K23 WeakPolarHBondContact O-CG 3.38Å; L19-K23 PolarHBondContact O-N 2.83Å
20	L	60.3	Low	57.3	Low	81 Å²	81	89.7 Å²	89.7	42%	0.424	43%	0.431	S	S	.	.	H	α-helix	trans	-65.1	-45.8	173	-170.7	80.1	0	0	0	110.6	N16 L17 E22 K23 L24	N16-L20 VanDerWaalsContact O-CB 3.32Å; N16-L20 WeakPolarHBondContact O-CB 3.46Å; N16-L20 PolarHBondContact O-N 3.5Å; L17-L20 WeakPolarHBondContact O-CB 2.82Å; L17-L20 PolarHBondContact O-N 2.87Å; L20-E22 VanDerWaalsContact C-N 3.34Å; L20-E22 PolarHBondContact O-N 3.03Å; L20-K23 PolarHBondContact O-N 3.27Å; L20-L24 HydrophobicContact CD2-CD1 4.46Å; L20-L24 HydrophobicContact CG-CD1 4.17Å; L20-L24 WeakPolarHBondContact O-CB 3.08Å; L20-L24 WeakPolarHBondContact O-CG 3.23Å; L20-L24 PolarHBondContact O-N 2.58Å
21	A	64.6	Low	58.6	Low	19 Å²	19	84.9 Å²	84.9	16%	0.157	41%	0.41	C	S	.	.	H	α-helix	trans	-61.5	-40.1	174.6	0	0	0	0	0	111.9	L17 K18 R25	L17-A21 WeakPolarHBondContact O-CB 3.43Å; L17-A21 PolarHBondContact O-N 3.05Å; K18-A21 PolarHBondContact O-N 2.98Å; A21-R25 WeakPolarHBondContact O-CB 3.45Å; A21-R25 PolarHBondContact O-N 2.8Å
22	E	66.7	Low	59.8	Low	62 Å²	62	87.6 Å²	87.6	29%	0.29	42%	0.424	S	S	.	.	H	α-helix	trans	-61.3	-44.4	171.2	-96.6	-87.8	106.5	0	0	113	K18 L19 L20 R25 K26	K18-E22 WeakPolarHBondContact O-CB 3.25Å; K18-E22 PolarHBondContact O-N 2.94Å; L19-E22 WeakPolarHBondContact O-CB 3.28Å; L19-E22 PolarHBondContact O-N 2.71Å; L20-E22 VanDerWaalsContact C-N 3.34Å; L20-E22 PolarHBondContact O-N 3.03Å; E22-R25 PolarHBondContact O-N 3.3Å; E22-R25 IonicContact OE1-CZ 2.79Å; E22-R25 IonicContact OE1-NE 2.74Å; E22-R25 PolarHBondContact OE1-NE 2.73Å; E22-R25 VanDerWaalsContact OE1-NE 3.14Å; E22-R25 IonicContact OE1-NH2 2.7Å; E22-R25 PolarHBondContact OE1-NH2 3.41Å; E22-K26 WeakPolarHBondContact O-CB 3.47Å; E22-K26 WeakPolarHBondContact O-CG 3.49Å; E22-K26 PolarHBondContact O-N 3Å; E22-K26 WeakPolarHBondContact OE2-CE 3.45Å; E22-K26 IonicContact OE2-NZ 2.69Å; E22-K26 PolarHBondContact OE2-NZ 3.02Å
23	K	63.3	Low	60.7	Low	106 Å²	106	87.2 Å²	87.2	46%	0.461	43%	0.429	S	S	.	.	H	α-helix	trans	-68.7	-42	176.6	-79.8	-177.8	175.9	180	0	112	L19 L20 K26 N27	L19-K23 WeakPolarHBondContact O-CB 3.24Å; L19-K23 WeakPolarHBondContact O-CG 3.38Å; L19-K23 PolarHBondContact O-N 2.83Å; L20-K23 PolarHBondContact O-N 3.27Å; K23-K26 PolarHBondContact O-N 2.98Å; K23-N27 WeakPolarHBondContact O-CB 3.32Å; K23-N27 PolarHBondContact O-N 2.76Å
24	L	65.1	Low	61.3	Low	72 Å²	72	87.5 Å²	87.5	38%	0.377	44%	0.439	S	S	.	.	H	α-helix	trans	-60	-46.2	172	-75.7	167.3	0	0	0	110.3	L20 K26 N27 W28 W47	L20-L24 HydrophobicContact CD2-CD1 4.46Å; L20-L24 HydrophobicContact CG-CD1 4.17Å; L20-L24 WeakPolarHBondContact O-CB 3.08Å; L20-L24 WeakPolarHBondContact O-CG 3.23Å; L20-L24 PolarHBondContact O-N 2.58Å; L24-K26 PolarHBondContact O-N 3.34Å; L24-N27 PolarHBondContact O-N 2.77Å; L24-W28 WeakPolarHBondContact O-CB 3.01Å; L24-W28 PolarHBondContact O-N 2.72Å; L24-W47 HydrophobicContact CD2-CZ3 4.16Å
25	R	73.7	Confident	61.1	Low	108 Å²	108	89.8 Å²	89.8	41%	0.408	45%	0.449	S	S	.	.	H	α-helix	trans	-58.9	-44.6	174.4	-172.4	-179.3	76.4	89.5	-6.1	111.8	A21 E22 W28 M29	A21-R25 WeakPolarHBondContact O-CB 3.45Å; A21-R25 PolarHBondContact O-N 2.8Å; E22-R25 PolarHBondContact O-N 3.3Å; E22-R25 IonicContact OE1-CZ 2.79Å; E22-R25 IonicContact OE1-NE 2.74Å; E22-R25 PolarHBondContact OE1-NE 2.73Å; E22-R25 VanDerWaalsContact OE1-NE 3.14Å; E22-R25 IonicContact OE1-NH2 2.7Å; E22-R25 PolarHBondContact OE1-NH2 3.41Å; R25-W28 PolarHBondContact O-N 3.16Å; R25-M29 VanDerWaalsContact O-CB 3.3Å; R25-M29 WeakPolarHBondContact O-CB 2.95Å; R25-M29 WeakPolarHBondContact O-CG 3.42Å; R25-M29 PolarHBondContact O-N 3.12Å
26	K	68.2	Low	61.1	Low	107 Å²	107	94 Å²	94	47%	0.465	47%	0.471	S	S	.	.	H	α-helix	trans	-67.5	-46	178.9	-78.2	162.7	173.2	160.7	0	112.4	E22 K23 L24 M29 Q30	E22-K26 WeakPolarHBondContact O-CB 3.47Å; E22-K26 WeakPolarHBondContact O-CG 3.49Å; E22-K26 PolarHBondContact O-N 3Å; E22-K26 WeakPolarHBondContact OE2-CE 3.45Å; E22-K26 IonicContact OE2-NZ 2.69Å; E22-K26 PolarHBondContact OE2-NZ 3.02Å; K23-K26 PolarHBondContact O-N 2.98Å; L24-K26 PolarHBondContact O-N 3.34Å; K26-M29 PolarHBondContact O-N 3.16Å; K26-Q30 WeakPolarHBondContact O-CB 3.19Å; K26-Q30 WeakPolarHBondContact O-CG 3.45Å; K26-Q30 PolarHBondContact O-N 2.81Å
27	N	60.6	Low	60.7	Low	69 Å²	69	98.3 Å²	98.3	37%	0.369	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-39.6	174.3	-78.2	-8.9	0	0	0	111.9	K23 L24 Q30 K31	K23-N27 WeakPolarHBondContact O-CB 3.32Å; K23-N27 PolarHBondContact O-N 2.76Å; L24-N27 PolarHBondContact O-N 2.77Å; N27-Q30 PolarHBondContact O-N 3.36Å; N27-K31 WeakPolarHBondContact O-CB 3.4Å; N27-K31 PolarHBondContact O-N 2.81Å
28	W	65.4	Low	59.8	Low	157 Å²	157	99.4 Å²	99.4	60%	0.595	50%	0.499	S	S	*	.	H	α-helix	trans	-65.8	-44.7	176.2	-171.4	72.4	0	0	0	111.1	L24 R25 Q30 K31 L32	L24-W28 WeakPolarHBondContact O-CB 3.01Å; L24-W28 PolarHBondContact O-N 2.72Å; R25-W28 PolarHBondContact O-N 3.16Å; W28-Q30 PolarHBondContact O-N 3.31Å; W28-K31 PolarHBondContact O-N 2.66Å; W28-L32 HydrophobicContact CD2-CD1 3.6Å; W28-L32 HydrophobicContact CD2-CG 4.45Å; W28-L32 HydrophobicContact CE3-CD1 3.54Å; W28-L32 HydrophobicContact CG-CD1 4.32Å; W28-L32 HydrophobicContact CH2-CD1 3.81Å; W28-L32 HydrophobicContact CZ2-CD1 3.87Å; W28-L32 HydrophobicContact CZ3-CD1 3.65Å; W28-L32 WeakPolarHBondContact O-CB 3.43Å; W28-L32 VanDerWaalsContact O-CG 3.25Å; W28-L32 WeakPolarHBondContact O-CG 3.44Å; W28-L32 PolarHBondContact O-N 3.04Å
29	M	69.3	Low	58.8	Low	102 Å²	102	102.1 Å²	102.1	50%	0.502	52%	0.517	S	S	.	.	H	α-helix	trans	-62.9	-36.8	172.9	-71.7	-67	-64.8	0	0	112.6	R25 K26 L32 S33	R25-M29 VanDerWaalsContact O-CB 3.3Å; R25-M29 WeakPolarHBondContact O-CB 2.95Å; R25-M29 WeakPolarHBondContact O-CG 3.42Å; R25-M29 PolarHBondContact O-N 3.12Å; K26-M29 PolarHBondContact O-N 3.16Å; M29-L32 PolarHBondContact O-N 3.4Å; M29-L32 HydrophobicContact SD-CD1 4.45Å; M29-S33 WeakPolarHBondContact O-CB 3.23Å; M29-S33 PolarHBondContact O-N 2.87Å; M29-S33 PolarHBondContact O-OG 2.87Å
30	Q	62.3	Low	58.1	Low	117 Å²	117	103.9 Å²	103.9	55%	0.547	53%	0.527	S	S	.	.	H	α-helix	trans	-68.9	-38.1	173.1	-78.9	-178.7	-36.2	0	0	112.6	K26 N27 W28 L32 S33 N34	K26-Q30 WeakPolarHBondContact O-CB 3.19Å; K26-Q30 WeakPolarHBondContact O-CG 3.45Å; K26-Q30 PolarHBondContact O-N 2.81Å; N27-Q30 PolarHBondContact O-N 3.36Å; W28-Q30 PolarHBondContact O-N 3.31Å; Q30-L32 VanDerWaalsContact C-N 3.3Å; Q30-S33 WeakPolarHBondContact CA-OG 2.9Å; Q30-S33 PolarHBondContact O-N 2.9Å; Q30-S33 PolarHBondContact O-OG 3.34Å; Q30-N34 WeakPolarHBondContact O-CB 3.18Å; Q30-N34 PolarHBondContact O-N 3.34Å; Q30-N34 PolarHBondContact O-OD1 2.77Å
31	K	60.4	Low	57.5	Low	78 Å²	78	102.6 Å²	102.6	34%	0.339	53%	0.525	S	S	.	.	H	α-helix	trans	-74	-24.1	176.5	-150.9	177.1	-176.6	-167.4	0	112.2	N27 W28 S41 L42 W47	N27-K31 WeakPolarHBondContact O-CB 3.4Å; N27-K31 PolarHBondContact O-N 2.81Å; W28-K31 PolarHBondContact O-N 2.66Å; K31-S41 PolarHBondContact NZ-O 3.09Å; K31-L42 HydrophobicContact CD-CD2 4.21Å; K31-W47 VanDerWaalsContact NZ-CD1 3.34Å
32	L	60.9	Low	56.6	Low	88 Å²	88	107.1 Å²	107.1	46%	0.461	55%	0.546	S	S	.	.	H	α-helix	trans	-78.7	-36.9	168.6	-73.9	168.5	0	0	0	112.7	W28 M29 Q30 N34 S35	W28-L32 HydrophobicContact CD2-CD1 3.6Å; W28-L32 HydrophobicContact CD2-CG 4.45Å; W28-L32 HydrophobicContact CE3-CD1 3.54Å; W28-L32 HydrophobicContact CG-CD1 4.32Å; W28-L32 HydrophobicContact CH2-CD1 3.81Å; W28-L32 HydrophobicContact CZ2-CD1 3.87Å; W28-L32 HydrophobicContact CZ3-CD1 3.65Å; W28-L32 WeakPolarHBondContact O-CB 3.43Å; W28-L32 VanDerWaalsContact O-CG 3.25Å; W28-L32 WeakPolarHBondContact O-CG 3.44Å; W28-L32 PolarHBondContact O-N 3.04Å; M29-L32 PolarHBondContact O-N 3.4Å; M29-L32 HydrophobicContact SD-CD1 4.45Å; Q30-L32 VanDerWaalsContact C-N 3.3Å; L32-N34 PolarHBondContact O-N 2.75Å; L32-S35 WeakPolarHBondContact O-CB 3.31Å; L32-S35 PolarHBondContact O-N 2.92Å; L32-S35 PolarHBondContact O-OG 3.24Å
33	S	57.5	Low	56.1	Low	83 Å²	83	109.6 Å²	109.6	58%	0.58	57%	0.565	S	S	*	*	H	α-helix	trans	-71.9	-20.2	175.1	66.4	0	0	0	0	113	M29 Q30 S35	M29-S33 WeakPolarHBondContact O-CB 3.23Å; M29-S33 PolarHBondContact O-N 2.87Å; M29-S33 PolarHBondContact O-OG 2.87Å; Q30-S33 WeakPolarHBondContact CA-OG 2.9Å; Q30-S33 PolarHBondContact O-N 2.9Å; Q30-S33 PolarHBondContact O-OG 3.34Å; S33-S35 PolarHBondContact O-N 3.46Å
34	N	50.7	Low	55.8	Low	127 Å²	127	107.1 Å²	107.1	68%	0.679	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	33.2	172.4	-64.7	0.2	0	0	0	111.7	Q30 L32 D36	Q30-N34 WeakPolarHBondContact O-CB 3.18Å; Q30-N34 PolarHBondContact O-N 3.34Å; Q30-N34 PolarHBondContact O-OD1 2.77Å; L32-N34 PolarHBondContact O-N 2.75Å; N34-D36 PolarHBondContact O-N 2.76Å
35	S	40.4	Very low	55.5	Low	85 Å²	85	108 Å²	108	59%	0.594	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	110.4	173.1	56.6	0	0	0	0	110.9	L32 S33	L32-S35 WeakPolarHBondContact O-CB 3.31Å; L32-S35 PolarHBondContact O-N 2.92Å; L32-S35 PolarHBondContact O-OG 3.24Å; S33-S35 PolarHBondContact O-N 3.46Å
36	D	50.8	Low	54.7	Low	164 Å²	164	106 Å²	106	88%	0.877	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	178.1	-13.2	149.3	-99.1	-8.1	0	0	0	112.7	N34	N34-D36 PolarHBondContact O-N 2.76Å
37	Q	47.5	Very low	54.2	Low	191 Å²	191	104.3 Å²	104.3	89%	0.893	56%	0.556	S	S	*	*			trans	-96.8	115.3	166.4	-81.6	-171.3	-35.4	0	0	111.8
38	T	42.3	Very low	54	Low	111 Å²	111	105 Å²	105	68%	0.681	56%	0.559	S	S	*	*			trans	-76.5	178.7	172.1	49.1	0	0	0	0	112.3
39	D	42.5	Very low	53.4	Low	128 Å²	128	106.4 Å²	106.4	68%	0.684	57%	0.566	S	S	*	*	S	Bend	trans	80.3	131.2	159.8	-48.6	-52.7	0	0	0	118.1	S41	D39-S41 PolarHBondContact O-N 2.88Å
40	D	47.6	Very low	52.6	Low	127 Å²	127	107.8 Å²	107.8	68%	0.679	58%	0.575	S	S	*	*	S	Bend	trans	49.1	-19.8	168.5	-62.9	-20.9	0	0	0	121.2	L42 T43 S44	D40-L42 PolarHBondContact O-N 3.43Å; D40-L42 VanDerWaalsContact O-N 3.14Å; D40-T43 WeakPolarHBondContact CA-OG1 3.42Å; D40-T43 PolarHBondContact O-N 3.39Å; D40-T43 PolarHBondContact O-OG1 2.72Å; D40-T43 VanDerWaalsContact O-OG1 3.11Å; D40-S44 WeakPolarHBondContact O-CB 3.3Å; D40-S44 PolarHBondContact O-N 3.2Å; D40-S44 PolarHBondContact O-OG 3.3Å; D40-S44 VanDerWaalsContact O-OG 3.09Å
41	S	47.5	Very low	52.2	Low	54 Å²	54	103.8 Å²	103.8	38%	0.378	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.7	0.6	-177.2	76.9	0	0	0	0	115.4	K31 D39	K31-S41 PolarHBondContact NZ-O 3.09Å; D39-S41 PolarHBondContact O-N 2.88Å
42	L	46.8	Very low	51.6	Low	114 Å²	114	104 Å²	104	60%	0.597	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	-36	174.6	-74.2	168.4	0	0	0	112	K31 D40	K31-L42 HydrophobicContact CD-CD2 4.21Å; D40-L42 PolarHBondContact O-N 3.43Å; D40-L42 VanDerWaalsContact O-N 3.14Å
43	T	54.9	Low	50.8	Low	113 Å²	113	104.5 Å²	104.5	69%	0.693	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-31.3	173.8	45.9	0	0	0	0	112.3	D40 L45	D40-T43 WeakPolarHBondContact CA-OG1 3.42Å; D40-T43 PolarHBondContact O-N 3.39Å; D40-T43 PolarHBondContact O-OG1 2.72Å; D40-T43 VanDerWaalsContact O-OG1 3.11Å; T43-L45 PolarHBondContact O-N 3Å
44	S	57.6	Low	50.3	Low	54 Å²	54	106.1 Å²	106.1	38%	0.378	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	-16.9	176.3	67.4	0	0	0	0	114.5	D40 T46	D40-S44 WeakPolarHBondContact O-CB 3.3Å; D40-S44 PolarHBondContact O-N 3.2Å; D40-S44 PolarHBondContact O-OG 3.3Å; D40-S44 VanDerWaalsContact O-OG 3.09Å; S44-T46 PolarHBondContact O-N 2.84Å; S44-T46 PolarHBondContact OG-N 3.12Å; S44-T46 PolarHBondContact OG-OG1 2.69Å
45	L	58.4	Low	49.7	Very low	92 Å²	92	104.8 Å²	104.8	48%	0.482	58%	0.582	S	S	.	*			trans	53	15.7	-170.1	-57.2	178.8	0	0	0	114.6	T43 W47 L48	T43-L45 PolarHBondContact O-N 3Å; L45-W47 PolarHBondContact O-N 2.8Å; L45-W47 VanDerWaalsContact O-N 3.16Å; L45-L48 HydrophobicContact CB-CD1 4.25Å; L45-L48 HydrophobicContact CD2-CD1 4.13Å; L45-L48 WeakPolarHBondContact O-CB 3.43Å; L45-L48 PolarHBondContact O-N 3.49Å
46	T	57.1	Low	49.5	Very low	66 Å²	66	106.1 Å²	106.1	41%	0.405	58%	0.58	S	S	.	*	H	α-helix	trans	-59	-33.2	-176.2	46	0	0	0	0	112.9	S44 L48 Y49 D50	S44-T46 PolarHBondContact O-N 2.84Å; S44-T46 PolarHBondContact OG-N 3.12Å; S44-T46 PolarHBondContact OG-OG1 2.69Å; T46-L48 PolarHBondContact O-N 2.9Å; T46-L48 VanDerWaalsContact O-N 3.13Å; T46-Y49 WeakPolarHBondContact O-CA 3.38Å; T46-Y49 VanDerWaalsContact O-CB 3.29Å; T46-Y49 WeakPolarHBondContact O-CB 3.45Å; T46-Y49 PolarHBondContact O-N 3.03Å; T46-D50 PolarHBondContact O-N 3.4Å; T46-D50 VanDerWaalsContact O-N 3.09Å
47	W	58.4	Low	48.9	Very low	71 Å²	71	103.7 Å²	103.7	27%	0.269	57%	0.568	S	S	.	*	H	α-helix	trans	-62.2	-18	175.7	69.5	-86.3	0	0	0	114.4	L24 K31 L45 D50 A51	L24-W47 HydrophobicContact CD2-CZ3 4.16Å; K31-W47 VanDerWaalsContact NZ-CD1 3.34Å; L45-W47 PolarHBondContact O-N 2.8Å; L45-W47 VanDerWaalsContact O-N 3.16Å; W47-D50 WeakPolarHBondContact CA-OD2 3.49Å; W47-A51 WeakPolarHBondContact O-CB 3.49Å; W47-A51 PolarHBondContact O-N 3.33Å
48	L	54.8	Low	48.6	Very low	82 Å²	82	96.8 Å²	96.8	43%	0.429	54%	0.539	S	S	.	.	H	α-helix	trans	-80	-24.2	170.3	-77.9	160.6	0	0	0	112.5	L45 T46	L45-L48 HydrophobicContact CB-CD1 4.25Å; L45-L48 HydrophobicContact CD2-CD1 4.13Å; L45-L48 WeakPolarHBondContact O-CB 3.43Å; L45-L48 PolarHBondContact O-N 3.49Å; T46-L48 PolarHBondContact O-N 2.9Å; T46-L48 VanDerWaalsContact O-N 3.13Å
49	Y	53.6	Low	48.5	Very low	187 Å²	187	99.5 Å²	99.5	73%	0.733	54%	0.544	S	S	*	.	H	α-helix	trans	-73.7	-39.6	167.4	-63.8	-106.3	0	0	0	110.1	T46 A51 N52	T46-Y49 WeakPolarHBondContact O-CA 3.38Å; T46-Y49 VanDerWaalsContact O-CB 3.29Å; T46-Y49 WeakPolarHBondContact O-CB 3.45Å; T46-Y49 PolarHBondContact O-N 3.03Å; Y49-A51 VanDerWaalsContact C-N 3.34Å; Y49-N52 WeakPolarHBondContact O-CB 3.32Å; Y49-N52 PolarHBondContact O-N 3.37Å
50	D	53	Low	48.3	Very low	132 Å²	132	97.3 Å²	97.3	71%	0.706	54%	0.544	S	S	*	.	H	α-helix	trans	-68.3	-32.8	175.7	-55.6	-44.2	0	0	0	112.3	T46 W47 N52	T46-D50 PolarHBondContact O-N 3.4Å; T46-D50 VanDerWaalsContact O-N 3.09Å; W47-D50 WeakPolarHBondContact CA-OD2 3.49Å; D50-N52 VanDerWaalsContact C-N 3.28Å; D50-N52 PolarHBondContact O-N 3.49Å
51	A	53.6	Low	47.8	Very low	33 Å²	33	93.3 Å²	93.3	27%	0.273	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	10.3	177.4	0	0	0	0	0	114.4	W47 Y49 P53	W47-A51 WeakPolarHBondContact O-CB 3.49Å; W47-A51 PolarHBondContact O-N 3.33Å; Y49-A51 VanDerWaalsContact C-N 3.34Å; A51-P53 WeakPolarHBondContact O-CD 3.4Å
52	N	46.9	Very low	47.1	Very low	83 Å²	83	93 Å²	93	44%	0.444	53%	0.525	S	S	.	.			trans	-60.7	119.6	-177.9	-175.5	17.6	0	0	0	111.1	Y49 D50 V54	Y49-N52 WeakPolarHBondContact O-CB 3.32Å; Y49-N52 PolarHBondContact O-N 3.37Å; D50-N52 VanDerWaalsContact C-N 3.28Å; D50-N52 PolarHBondContact O-N 3.49Å; N52-V54 PolarHBondContact O-N 2.61Å; N52-V54 WeakPolarHBondContact OD1-CG2 3.15Å
53	P	45.9	Very low	46.5	Very low	98 Å²	98	94.2 Å²	94.2	64%	0.636	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	3	-171.8	28.1	-36.8	0	0	0	115.4	A51 S55	A51-P53 WeakPolarHBondContact O-CD 3.4Å; P53-S55 VanDerWaalsContact C-N 3.33Å; P53-S55 PolarHBondContact O-N 3.19Å
54	V	45.5	Very low	45.5	Very low	117 Å²	117	93.7 Å²	93.7	71%	0.709	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.3	-173.9	-176.8	0	0	0	0	113	N52 M56	N52-V54 PolarHBondContact O-N 2.61Å; N52-V54 WeakPolarHBondContact OD1-CG2 3.15Å; V54-M56 VanDerWaalsContact C-N 3.34Å; V54-M56 PolarHBondContact O-N 2.75Å
55	S	39.2	Very low	44.4	Very low	99 Å²	99	98.7 Å²	98.7	69%	0.692	53%	0.533	S	S	*	.			trans	-86.3	17.8	-174	54.6	0	0	0	0	116.1	P53	P53-S55 VanDerWaalsContact C-N 3.33Å; P53-S55 PolarHBondContact O-N 3.19Å
56	M	35	Very low	43	Very low	112 Å²	112	97.2 Å²	97.2	55%	0.552	54%	0.54	S	S	*	.			trans	-93.2	112.9	178.6	-70.2	-68.5	164.9	0	0	111.4	V54	V54-M56 VanDerWaalsContact C-N 3.34Å; V54-M56 PolarHBondContact O-N 2.75Å
57	N	39.6	Very low	42.1	Very low	114 Å²	114	103.6 Å²	103.6	61%	0.61	56%	0.562	S	S	*	*			trans	-79.1	135.7	-177	-162.2	58.3	0	0	0	111.7	E59	N57-E59 PolarHBondContact ND2-OE2 2.68Å
58	P	41	Very low	41.1	Very low	45 Å²	45	108.4 Å²	108.4	29%	0.292	59%	0.587	S	S	.	*	S	Bend	trans	-83.9	-13.2	-168.1	34.2	-39.7	0	0	0	116.1	A60 S679 Q680	P58-A60 PolarHBondContact O-N 2.88Å; P58-S679 VanDerWaalsContact CB-OG 3.25Å; P58-S679 WeakPolarHBondContact CB-OG 3.48Å; P58-Q680 HydrophobicContact CB-CB 3.46Å; P58-Q680 VanDerWaalsContact CB-CB 3.46Å; P58-Q680 HydrophobicContact CB-CG 4.45Å; P58-Q680 PolarHBondContact O-NE2 2.99Å
59	E	38.7	Very low	40.7	Very low	168 Å²	168	109.1 Å²	109.1	79%	0.785	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	31.1	-166.1	-59.6	172.3	117.3	0	0	115.3	N57	N57-E59 PolarHBondContact ND2-OE2 2.68Å
60	A	40.1	Very low	40.1	Very low	83 Å²	83	106.1 Å²	106.1	69%	0.686	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.4	-14.3	-168	0	0	0	0	0	117.2	P58	P58-A60 PolarHBondContact O-N 2.88Å
61	T	37.1	Very low	39.5	Very low	43 Å²	43	104.8 Å²	104.8	26%	0.264	58%	0.584	S	S	.	*			trans	-135	101.6	-171.4	18.9	0	0	0	0	113.1	Q680 C681 Q682	T61-Q680 PolarHBondContact O-NE2 2.87Å; T61-C681 PolarHBondContact OG1-O 2.95Å; T61-Q682 HydrophobicContact CG2-CB 3.88Å; T61-Q682 HydrophobicContact CG2-CG 3.41Å; T61-Q682 VanDerWaalsContact CG2-CG 3.41Å
62	A	32.9	Very low	38.7	Very low	47 Å²	47	107.1 Å²	107.1	39%	0.388	60%	0.597	S	S	.	*			trans	-154	92.3	-148	0	0	0	0	0	111.5	S723	A62-S723 WeakPolarHBondContact O-CB 3.14Å; A62-S723 PolarHBondContact O-OG 2.82Å
63	H	33.3	Very low	38.2	Very low	140 Å²	140	107 Å²	107	65%	0.648	59%	0.593	S	S	*	*			trans	162.3	98.3	159.1	-107.9	-81.2	0	0	0	109.3	C721	H63-C721 CarbonylContact C-O 3.36Å; H63-C721 VanDerWaalsContact CA-O 3.26Å; H63-C721 WeakPolarHBondContact CA-O 3.34Å; H63-C721 VanDerWaalsContact N-CB 3.31Å; H63-C721 PolarHBondContact N-O 2.93Å
64	F	33.7	Very low	37.9	Very low	101 Å²	101	105 Å²	105	44%	0.443	58%	0.581	S	S	.	*	S	Bend	trans	163.4	162.5	167.9	-96.7	-61.4	0	0	0	111.3	F719 C721	F64-F719 HydrophobicContact CB-CB 3.99Å; F64-F719 HydrophobicContact CB-CD1 4.42Å; F64-F719 HydrophobicContact CB-CG 4.47Å; F64-F719 HydrophobicContact CD1-CB 3.48Å; F64-F719 VanDerWaalsContact CD1-CB 3.48Å; F64-F719 AromaticContact CD1-CD1 3.88Å; F64-F719 HydrophobicContact CD1-CD1 3.88Å; F64-F719 AromaticContact CD1-CD2 3.97Å; F64-F719 HydrophobicContact CD1-CD2 3.97Å; F64-F719 AromaticContact CD1-CG 3.48Å; F64-F719 HydrophobicContact CD1-CG 3.48Å; F64-F719 VanDerWaalsContact CD1-CG 3.48Å; F64-F719 HydrophobicContact CD2-CB 4.23Å; F64-F719 AromaticContact CD2-CD1 3.21Å; F64-F719 HydrophobicContact CD2-CD1 3.21Å; F64-F719 AromaticContact CD2-CE1 3.67Å; F64-F719 HydrophobicContact CD2-CE1 3.67Å; F64-F719 AromaticContact CD2-CG 3.77Å; F64-F719 HydrophobicContact CD2-CG 3.77Å; F64-F719 HydrophobicContact CE1-CB 4.01Å; F64-F719 AromaticContact CE1-CD1 3.91Å; F64-F719 HydrophobicContact CE1-CD1 3.91Å; F64-F719 AromaticContact CE1-CD2 3.55Å; F64-F719 HydrophobicContact CE1-CD2 3.55Å; F64-F719 HydrophobicContact CE1-CE1 4.31Å; F64-F719 AromaticContact CE1-CE2 3.99Å; F64-F719 HydrophobicContact CE1-CE2 3.99Å; F64-F719 AromaticContact CE1-CG 3.52Å; F64-F719 HydrophobicContact CE1-CG 3.52Å; F64-F719 HydrophobicContact CE1-CZ 4.34Å; F64-F719 AromaticContact CE2-CD1 3.29Å; F64-F719 HydrophobicContact CE2-CD1 3.29Å; F64-F719 HydrophobicContact CE2-CD2 4.27Å; F64-F719 AromaticContact CE2-CE1 3.26Å; F64-F719 HydrophobicContact CE2-CE1 3.26Å; F64-F719 HydrophobicContact CE2-CE2 4.25Å; F64-F719 AromaticContact CE2-CG 3.84Å; F64-F719 HydrophobicContact CE2-CG 3.84Å; F64-F719 AromaticContact CE2-CZ 3.77Å; F64-F719 HydrophobicContact CE2-CZ 3.77Å; F64-F719 HydrophobicContact CG-CB 3.62Å; F64-F719 AromaticContact CG-CD1 3.56Å; F64-F719 HydrophobicContact CG-CD1 3.56Å; F64-F719 HydrophobicContact CG-CD2 4.5Å; F64-F719 HydrophobicContact CG-CE1 4.4Å; F64-F719 AromaticContact CG-CG 3.63Å; F64-F719 HydrophobicContact CG-CG 3.63Å; F64-F719 AromaticContact CZ-CD1 3.65Å; F64-F719 HydrophobicContact CZ-CD1 3.65Å; F64-F719 AromaticContact CZ-CD2 3.74Å; F64-F719 HydrophobicContact CZ-CD2 3.74Å; F64-F719 AromaticContact CZ-CE1 3.62Å; F64-F719 HydrophobicContact CZ-CE1 3.62Å; F64-F719 AromaticContact CZ-CE2 3.71Å; F64-F719 HydrophobicContact CZ-CE2 3.71Å; F64-F719 AromaticContact CZ-CG 3.72Å; F64-F719 HydrophobicContact CZ-CG 3.72Å; F64-F719 AromaticContact CZ-CZ 3.66Å; F64-F719 HydrophobicContact CZ-CZ 3.66Å; F64-C721 PolarHBondContact N-O 2.77Å; F64-C721 VanDerWaalsContact O-O 3.1Å
65	E	34.6	Very low	37.7	Very low	160 Å²	160	104 Å²	104	75%	0.748	57%	0.571	S	S	*	*			trans	-70.3	164.3	-160	-64.4	165.4	106.6	0	0	115.7
66	G	29.8	Very low	37.8	Very low	60 Å²	60	105.9 Å²	105.9	62%	0.619	56%	0.564	S	S	*	*			trans	-132.6	136.5	-174.2	0	0	0	0	0	114.9
67	K	38.3	Very low	38	Very low	201 Å²	201	102.2 Å²	102.2	87%	0.874	55%	0.547	S	S	*	.	S	Bend	trans	-162.9	-32.8	152.3	-113.8	162.8	-173.1	172.7	0	114.6
68	E	37.3	Very low	38.1	Very low	171 Å²	171	99.7 Å²	99.7	80%	0.799	53%	0.533	S	S	*	.	S	Bend	trans	-99.4	-18.5	-161.7	-55.5	-168.4	140.6	0	0	115.5	N70 L71	E68-N70 PolarHBondContact O-N 3.48Å; E68-N70 VanDerWaalsContact O-N 3.12Å; E68-L71 PolarHBondContact O-N 3.37Å
69	V	45.1	Very low	38	Very low	97 Å²	97	106.2 Å²	106.2	59%	0.588	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-24.7	-171.3	-156.5	0	0	0	0	113.6	L71	V69-L71 VanDerWaalsContact C-N 3.27Å; V69-L71 PolarHBondContact O-N 3.01Å
70	N	40.9	Very low	37.9	Very low	124 Å²	124	101.2 Å²	101.2	66%	0.663	53%	0.532	S	S	*	.	H	α-helix	trans	-65.5	-24.4	179	-92.5	-43.9	0	0	0	114	E68 S74	E68-N70 PolarHBondContact O-N 3.48Å; E68-N70 VanDerWaalsContact O-N 3.12Å; N70-S74 WeakPolarHBondContact O-CB 3.35Å; N70-S74 PolarHBondContact O-N 3.14Å; N70-S74 VanDerWaalsContact O-N 3.09Å; N70-S74 PolarHBondContact O-OG 2.68Å
71	L	40.7	Very low	37.8	Very low	104 Å²	104	101.5 Å²	101.5	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-73.6	-37.7	-172.3	-142.4	77.3	0	0	0	112.3	E68 V69 S74 L75	E68-L71 PolarHBondContact O-N 3.37Å; V69-L71 VanDerWaalsContact C-N 3.27Å; V69-L71 PolarHBondContact O-N 3.01Å; L71-S74 PolarHBondContact O-N 2.73Å; L71-L75 HydrophobicContact CD2-CD1 4.38Å; L71-L75 HydrophobicContact CG-CD1 4.27Å; L71-L75 WeakPolarHBondContact O-CB 3.39Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.41Å; L71-L75 PolarHBondContact O-N 3.07Å
72	C	37	Very low	37.7	Very low	82 Å²	82	107.7 Å²	107.7	55%	0.554	54%	0.535	S	S	*	.	H	α-helix	trans	-69.4	-45.1	-177.2	-167.6	0	0	0	0	111.9	L75 Y76	C72-L75 PolarHBondContact O-N 3.06Å; C72-Y76 PolarHBondContact O-N 2.82Å
73	F	37.4	Very low	37.8	Very low	82 Å²	82	110.1 Å²	110.1	36%	0.36	55%	0.549	S	S	.	.	H	α-helix	trans	-63.4	-45.6	173.3	-160.4	-86.9	0	0	0	110.5	L75 Y76 D77	F73-L75 VanDerWaalsContact C-N 3.28Å; F73-L75 PolarHBondContact O-N 3.36Å; F73-Y76 PolarHBondContact O-N 3.17Å; F73-D77 HydrophobicContact CD1-CB 4.24Å; F73-D77 HydrophobicContact CE1-CB 4.25Å; F73-D77 WeakPolarHBondContact O-CB 3.07Å; F73-D77 PolarHBondContact O-N 2.93Å
74	S	38.2	Very low	37.6	Very low	54 Å²	54	108.7 Å²	108.7	38%	0.378	55%	0.554	S	S	.	*	H	α-helix	trans	-59.2	-34.8	176.2	-62	0	0	0	0	113.2	N70 L71 N78	N70-S74 WeakPolarHBondContact O-CB 3.35Å; N70-S74 PolarHBondContact O-N 3.14Å; N70-S74 VanDerWaalsContact O-N 3.09Å; N70-S74 PolarHBondContact O-OG 2.68Å; L71-S74 PolarHBondContact O-N 2.73Å; S74-N78 WeakPolarHBondContact O-CB 3.34Å; S74-N78 PolarHBondContact O-N 3.32Å; S74-N78 PolarHBondContact O-ND2 3.38Å
75	L	42	Very low	37.4	Very low	98 Å²	98	106.8 Å²	106.8	51%	0.513	56%	0.563	S	S	.	*	H	α-helix	trans	-78.5	-39.8	178.6	-75.2	168.9	0	0	0	112.6	L71 C72 F73 N78 Y79	L71-L75 HydrophobicContact CD2-CD1 4.38Å; L71-L75 HydrophobicContact CG-CD1 4.27Å; L71-L75 WeakPolarHBondContact O-CB 3.39Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.41Å; L71-L75 PolarHBondContact O-N 3.07Å; C72-L75 PolarHBondContact O-N 3.06Å; F73-L75 VanDerWaalsContact C-N 3.28Å; F73-L75 PolarHBondContact O-N 3.36Å; L75-N78 PolarHBondContact O-N 2.83Å; L75-Y79 WeakPolarHBondContact O-CB 3.37Å; L75-Y79 PolarHBondContact O-N 2.85Å
76	Y	42.3	Very low	37.2	Very low	138 Å²	138	101.1 Å²	101.1	54%	0.541	55%	0.547	S	S	.	.	H	α-helix	trans	-71	-36.1	176.1	-168.8	-103.4	0	0	0	112.4	C72 F73 Y79 N80	C72-Y76 PolarHBondContact O-N 2.82Å; F73-Y76 PolarHBondContact O-N 3.17Å; Y76-Y79 PolarHBondContact O-N 3.3Å; Y76-N80 WeakPolarHBondContact CE1-ND2 3.05Å; Y76-N80 PolarHBondContact O-N 3.41Å; Y76-N80 PolarHBondContact O-ND2 2.97Å; Y76-N80 VanDerWaalsContact O-ND2 3.14Å
77	D	39.3	Very low	37.3	Very low	35 Å²	35	105.2 Å²	105.2	19%	0.187	56%	0.555	C	S	.	*	H	α-helix	trans	-75.3	-30.5	173.2	-161.7	-3.5	0	0	0	110.9	F73 R81	F73-D77 HydrophobicContact CD1-CB 4.24Å; F73-D77 HydrophobicContact CE1-CB 4.25Å; F73-D77 WeakPolarHBondContact O-CB 3.07Å; F73-D77 PolarHBondContact O-N 2.93Å; D77-R81 WeakPolarHBondContact O-CB 3.14Å; D77-R81 WeakPolarHBondContact O-CD 3.09Å; D77-R81 WeakPolarHBondContact O-CG 3.11Å; D77-R81 PolarHBondContact O-N 3.14Å; D77-R81 WeakPolarHBondContact OD1-CG 3.25Å; D77-R81 IonicContact OD1-CZ 3.59Å; D77-R81 IonicContact OD1-NE 2.75Å; D77-R81 PolarHBondContact OD1-NE 3.3Å; D77-R81 IonicContact OD1-NH2 3.61Å; D77-R81 IonicContact OD2-CZ 3.35Å; D77-R81 IonicContact OD2-NE 3.34Å; D77-R81 PolarHBondContact OD2-NE 3.37Å; D77-R81 IonicContact OD2-NH2 2.66Å; D77-R81 PolarHBondContact OD2-NH2 3.47Å
78	N	40.7	Very low	37.4	Very low	60 Å²	60	103.2 Å²	103.2	32%	0.321	55%	0.548	S	S	.	.	H	α-helix	trans	-62.8	-49	163.1	-93	-75.3	0	0	0	111.2	S74 L75 N80 R81 Y82	S74-N78 WeakPolarHBondContact O-CB 3.34Å; S74-N78 PolarHBondContact O-N 3.32Å; S74-N78 PolarHBondContact O-ND2 3.38Å; L75-N78 PolarHBondContact O-N 2.83Å; N78-N80 VanDerWaalsContact C-N 3.27Å; N78-N80 PolarHBondContact O-N 3.33Å; N78-R81 PolarHBondContact O-N 2.85Å; N78-Y82 HydrophobicContact CB-CD2 4.15Å; N78-Y82 HydrophobicContact CB-CE2 3.86Å; N78-Y82 WeakPolarHBondContact O-CD2 3.22Å; N78-Y82 PolarHBondContact O-N 3.27Å; N78-Y82 WeakPolarHBondContact OD1-CE2 3.35Å; N78-Y82 PolarHBondContact OD1-OH 3.1Å
79	Y	38.6	Very low	37.5	Very low	182 Å²	182	97.9 Å²	97.9	71%	0.714	53%	0.529	S	S	*	.	H	α-helix	trans	-59.4	-39.9	-178.6	-135.2	-93.2	0	0	0	111.7	L75 Y76 S83	L75-Y79 WeakPolarHBondContact O-CB 3.37Å; L75-Y79 PolarHBondContact O-N 2.85Å; Y76-Y79 PolarHBondContact O-N 3.3Å; Y79-S83 WeakPolarHBondContact O-CB 3.49Å; Y79-S83 PolarHBondContact O-N 2.92Å
80	N	37.1	Very low	37	Very low	64 Å²	64	95.9 Å²	95.9	34%	0.342	52%	0.517	S	S	.	.	H	α-helix	trans	-76.2	-37.9	173.6	-76.4	-60.9	0	0	0	113.3	Y76 N78 Y82 S83 C84	Y76-N80 WeakPolarHBondContact CE1-ND2 3.05Å; Y76-N80 PolarHBondContact O-N 3.41Å; Y76-N80 PolarHBondContact O-ND2 2.97Å; Y76-N80 VanDerWaalsContact O-ND2 3.14Å; N78-N80 VanDerWaalsContact C-N 3.27Å; N78-N80 PolarHBondContact O-N 3.33Å; N80-Y82 VanDerWaalsContact C-N 3.29Å; N80-Y82 PolarHBondContact O-N 3.21Å; N80-S83 CarbonylContact O-C 3.52Å; N80-S83 PolarHBondContact O-N 2.73Å; N80-S83 VanDerWaalsContact O-N 3.07Å; N80-C84 PolarHBondContact O-N 3.02Å; N80-C84 PolarHBondContact O-SG 2.94Å
81	R	36.7	Very low	37.2	Very low	88 Å²	88	91.5 Å²	91.5	33%	0.332	49%	0.494	S	S	.	.	H	α-helix	trans	-63.2	-32.6	173.1	-72.8	166.6	-164.3	-157.3	8.4	112.5	D77 N78 G85 G86	D77-R81 WeakPolarHBondContact O-CB 3.14Å; D77-R81 WeakPolarHBondContact O-CD 3.09Å; D77-R81 WeakPolarHBondContact O-CG 3.11Å; D77-R81 PolarHBondContact O-N 3.14Å; D77-R81 WeakPolarHBondContact OD1-CG 3.25Å; D77-R81 IonicContact OD1-CZ 3.59Å; D77-R81 IonicContact OD1-NE 2.75Å; D77-R81 PolarHBondContact OD1-NE 3.3Å; D77-R81 IonicContact OD1-NH2 3.61Å; D77-R81 IonicContact OD2-CZ 3.35Å; D77-R81 IonicContact OD2-NE 3.34Å; D77-R81 PolarHBondContact OD2-NE 3.37Å; D77-R81 IonicContact OD2-NH2 2.66Å; D77-R81 PolarHBondContact OD2-NH2 3.47Å; N78-R81 PolarHBondContact O-N 2.85Å; R81-G85 CarbonylContact O-C 3.55Å; R81-G85 VanDerWaalsContact O-C 3.29Å; R81-G85 WeakPolarHBondContact O-CA 3.21Å; R81-G85 PolarHBondContact O-N 3.16Å; R81-G86 PolarHBondContact O-N 3.27Å
82	Y	36	Very low	37.2	Very low	173 Å²	173	86.9 Å²	86.9	68%	0.678	47%	0.471	S	S	*	.	H	α-helix	trans	-79	-23.4	172.1	-64.2	-54.1	0	0	0	113.2	N78 N80	N78-Y82 HydrophobicContact CB-CD2 4.15Å; N78-Y82 HydrophobicContact CB-CE2 3.86Å; N78-Y82 WeakPolarHBondContact O-CD2 3.22Å; N78-Y82 PolarHBondContact O-N 3.27Å; N78-Y82 WeakPolarHBondContact OD1-CE2 3.35Å; N78-Y82 PolarHBondContact OD1-OH 3.1Å; N80-Y82 VanDerWaalsContact C-N 3.29Å; N80-Y82 PolarHBondContact O-N 3.21Å
83	S	35.1	Very low	37.9	Very low	98 Å²	98	83.1 Å²	83.1	69%	0.685	45%	0.446	S	S	*	.	H	α-helix	trans	-92.7	-24.5	178.9	-162.9	0	0	0	0	114.6	Y79 N80	Y79-S83 WeakPolarHBondContact O-CB 3.49Å; Y79-S83 PolarHBondContact O-N 2.92Å; N80-S83 CarbonylContact O-C 3.52Å; N80-S83 PolarHBondContact O-N 2.73Å; N80-S83 VanDerWaalsContact O-N 3.07Å
84	C	29.2	Very low	39	Very low	111 Å²	111	79.5 Å²	79.5	75%	0.75	43%	0.431	S	S	*	.	H	α-helix	trans	-130.8	5.5	177.8	76.3	0	0	0	0	115.4	N80	N80-C84 PolarHBondContact O-N 3.02Å; N80-C84 PolarHBondContact O-SG 2.94Å
85	G	28.5	Very low	39.8	Very low	61 Å²	61	82.5 Å²	82.5	63%	0.629	44%	0.442	S	S	*	.	S	Bend	trans	-121.5	2.3	163.4	0	0	0	0	0	113.7	R81	R81-G85 CarbonylContact O-C 3.55Å; R81-G85 VanDerWaalsContact O-C 3.29Å; R81-G85 WeakPolarHBondContact O-CA 3.21Å; R81-G85 PolarHBondContact O-N 3.16Å
86	G	30.6	Very low	40.8	Very low	40 Å²	40	79.7 Å²	79.7	41%	0.412	43%	0.427	S	S	.	.			trans	-74.6	136.4	-174.6	0	0	0	0	0	114	R81 Q88	R81-G86 PolarHBondContact O-N 3.27Å; G86-Q88 PolarHBondContact O-N 3.09Å
87	N	33.5	Very low	42.1	Very low	146 Å²	146	77.9 Å²	77.9	78%	0.781	43%	0.433	S	S	*	.			trans	-64.8	100.8	164.4	-67.3	-48.5	0	0	0	108.9	P89	N87-P89 VanDerWaalsContact O-CD 3.25Å; N87-P89 WeakPolarHBondContact O-CD 3.26Å
88	Q	39	Very low	43.7	Very low	159 Å²	159	83.4 Å²	83.4	74%	0.743	46%	0.457	S	S	*	.			trans	-70.8	118.6	157.3	-74.3	-84.5	-46.2	0	0	107.8	G86 V90	G86-Q88 PolarHBondContact O-N 3.09Å; Q88-V90 WeakPolarHBondContact O-CB 3.14Å; Q88-V90 VanDerWaalsContact O-CG2 3.24Å; Q88-V90 WeakPolarHBondContact O-CG2 3.05Å; Q88-V90 PolarHBondContact O-N 2.87Å
89	P	39.9	Very low	45.3	Very low	59 Å²	59	81.7 Å²	81.7	38%	0.383	45%	0.448	S	S	.	.			trans	-68.7	116.7	158.1	-14.5	33.7	0	0	0	106.1	N87 T91 I99	N87-P89 VanDerWaalsContact O-CD 3.25Å; N87-P89 WeakPolarHBondContact O-CD 3.26Å; P89-T91 VanDerWaalsContact C-N 3.3Å; P89-T91 VanDerWaalsContact CB-OG1 3.3Å; P89-T91 WeakPolarHBondContact CB-OG1 3.48Å; P89-I99 HydrophobicContact CB-CD1 3.61Å; P89-I99 HydrophobicContact CG-CD1 3.4Å
90	V	35	Very low	47.2	Very low	56 Å²	56	75.5 Å²	75.5	34%	0.339	42%	0.423	S	S	.	.			cis	45.7	57.8	36.7	-172.3	0	0	0	0	109.5	Q88 S204 N946	Q88-V90 WeakPolarHBondContact O-CB 3.14Å; Q88-V90 VanDerWaalsContact O-CG2 3.24Å; Q88-V90 WeakPolarHBondContact O-CG2 3.05Å; Q88-V90 PolarHBondContact O-N 2.87Å; V90-S204 WeakPolarHBondContact CG2-OG 3.08Å; V90-N946 CarbonylContact C-O 3.06Å; V90-N946 VanDerWaalsContact CA-O 3.22Å; V90-N946 WeakPolarHBondContact CA-O 3.26Å; V90-N946 WeakPolarHBondContact CG1-O 3.33Å
91	T	45.3	Very low	49.3	Very low	32 Å²	32	77.5 Å²	77.5	20%	0.196	43%	0.433	C	S	.	.	S	Bend	trans	-160	160.7	158.1	22.3	0	0	0	0	106	P89 S93 N945 N946 D947	P89-T91 VanDerWaalsContact C-N 3.3Å; P89-T91 VanDerWaalsContact CB-OG1 3.3Å; P89-T91 WeakPolarHBondContact CB-OG1 3.48Å; T91-S93 VanDerWaalsContact CB-CA 3.48Å; T91-S93 PolarHBondContact O-N 2.77Å; T91-S93 WeakPolarHBondContact OG1-CB 3.22Å; T91-S93 PolarHBondContact OG1-OG 3.13Å; T91-N945 CarbonylContact O-C 3.49Å; T91-N946 WeakPolarHBondContact CA-O 3.49Å; T91-N946 PolarHBondContact N-O 2.76Å; T91-N946 WeakPolarHBondContact O-CA 3.09Å; T91-N946 PolarHBondContact O-N 3.46Å; T91-D947 HydrophobicContact CG2-CB 3.33Å
92	G	40.2	Very low	51.5	Low	6 Å²	6	77.7 Å²	77.7	6%	0.062	44%	0.438	C	S	.	.			cis	61.6	2.8	39.5	0	0	0	0	0	110.4	L94 L95 N946 D947	G92-L94 PolarHBondContact O-N 3.48Å; G92-L95 WeakPolarHBondContact O-CA 3.22Å; G92-L95 WeakPolarHBondContact O-CB 3.13Å; G92-L95 WeakPolarHBondContact O-CG 3.2Å; G92-L95 PolarHBondContact O-N 2.87Å; G92-N946 VanDerWaalsContact N-CA 3.3Å; G92-N946 PolarHBondContact N-OD1 3.13Å; G92-D947 WeakPolarHBondContact CA-OD1 3.47Å
93	S	51.9	Low	53.9	Low	3 Å²	3	72.1 Å²	72.1	2%	0.021	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	6	-142.7	-139.2	0	0	0	0	113.2	T91 D96 I99 R100	T91-S93 VanDerWaalsContact CB-CA 3.48Å; T91-S93 PolarHBondContact O-N 2.77Å; T91-S93 WeakPolarHBondContact OG1-CB 3.22Å; T91-S93 PolarHBondContact OG1-OG 3.13Å; S93-D96 VanDerWaalsContact O-O 3.11Å; S93-I99 VanDerWaalsContact OG-CB 3.28Å; S93-I99 WeakPolarHBondContact OG-CB 3.12Å; S93-I99 WeakPolarHBondContact OG-CD1 3.34Å; S93-I99 VanDerWaalsContact OG-CG2 3.25Å; S93-I99 WeakPolarHBondContact OG-CG2 3.21Å; S93-R100 PolarHBondContact O-N 2.93Å
94	L	59.2	Low	56.4	Low	7 Å²	7	72.1 Å²	72.1	4%	0.037	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-9.3	157	-93.7	153.4	0	0	0	112.7	G92 R100 L121 W139 N143 F144	G92-L94 PolarHBondContact O-N 3.48Å; L94-R100 HydrophobicContact CD2-CG 3.87Å; L94-R100 WeakPolarHBondContact O-CD 3.44Å; L94-R100 PolarHBondContact O-NH1 3.44Å; L94-L121 HydrophobicContact CD1-CD1 3.89Å; L94-W139 HydrophobicContact CD1-CH2 3.58Å; L94-W139 HydrophobicContact CD1-CZ2 3.78Å; L94-W139 HydrophobicContact CD2-CZ2 4.4Å; L94-N143 HydrophobicContact CD2-CB 4.13Å; L94-F144 HydrophobicContact CD1-CE2 4.04Å; L94-F144 HydrophobicContact CD1-CZ 3.67Å
95	L	55.9	Low	59.1	Low	116 Å²	116	71.2 Å²	71.2	61%	0.607	39%	0.392	S	S	*	.	S	Bend	trans	-91.8	-23.1	167.6	-58.2	179.4	0	0	0	112.7	G92 P97	G92-L95 WeakPolarHBondContact O-CA 3.22Å; G92-L95 WeakPolarHBondContact O-CB 3.13Å; G92-L95 WeakPolarHBondContact O-CG 3.2Å; G92-L95 PolarHBondContact O-N 2.87Å; L95-P97 WeakPolarHBondContact O-CD 3.33Å
96	D	62	Low	61.7	Low	39 Å²	39	73.4 Å²	73.4	21%	0.209	38%	0.384	C	S	.	.	S	Bend	trans	-78.6	118.7	167.7	169.8	26	0	0	0	109.1	S93 Q98 I99 R100	S93-D96 VanDerWaalsContact O-O 3.11Å; D96-Q98 PolarHBondContact O-N 3.36Å; D96-Q98 PolarHBondContact OD1-N 2.8Å; D96-I99 WeakPolarHBondContact OD2-CB 3.38Å; D96-I99 WeakPolarHBondContact OD2-CG1 3.08Å; D96-I99 PolarHBondContact OD2-N 2.77Å; D96-R100 WeakPolarHBondContact O-CB 3.14Å; D96-R100 PolarHBondContact O-N 2.82Å
97	P	71.1	Confident	64.3	Low	101 Å²	101	78.8 Å²	78.8	66%	0.656	39%	0.392	S	S	*	.	H	α-helix	trans	-59.4	-31.3	177.2	-23.7	35.4	0	0	0	113.7	L95 L101	L95-P97 WeakPolarHBondContact O-CD 3.33Å; P97-L101 VanDerWaalsContact O-CB 3.31Å; P97-L101 WeakPolarHBondContact O-CB 3.24Å; P97-L101 PolarHBondContact O-N 3.4Å
98	Q	71.8	Confident	66.4	Low	151 Å²	151	77 Å²	77	71%	0.706	39%	0.387	S	S	*	.	H	α-helix	trans	-73.1	-52.3	-175.6	-65.4	-170.4	-16.2	0	0	111.5	D96 R100 L101 E102	D96-Q98 PolarHBondContact O-N 3.36Å; D96-Q98 PolarHBondContact OD1-N 2.8Å; Q98-R100 VanDerWaalsContact C-N 3.34Å; Q98-R100 PolarHBondContact O-N 3.48Å; Q98-L101 CarbonylContact O-C 3.53Å; Q98-L101 WeakPolarHBondContact O-CA 3.25Å; Q98-L101 WeakPolarHBondContact O-CB 3.16Å; Q98-L101 PolarHBondContact O-N 3.16Å; Q98-E102 PolarHBondContact O-N 3.32Å
99	I	75.7	Confident	68.4	Low	23 Å²	23	71.3 Å²	71.3	12%	0.118	37%	0.371	C	S	.	.	H	α-helix	trans	-70.5	-30.5	176.3	-73.8	169.7	0	0	0	112.5	P89 S93 D96 L101 E102 Y103	P89-I99 HydrophobicContact CB-CD1 3.61Å; P89-I99 HydrophobicContact CG-CD1 3.4Å; S93-I99 VanDerWaalsContact OG-CB 3.28Å; S93-I99 WeakPolarHBondContact OG-CB 3.12Å; S93-I99 WeakPolarHBondContact OG-CD1 3.34Å; S93-I99 VanDerWaalsContact OG-CG2 3.25Å; S93-I99 WeakPolarHBondContact OG-CG2 3.21Å; D96-I99 WeakPolarHBondContact OD2-CB 3.38Å; D96-I99 WeakPolarHBondContact OD2-CG1 3.08Å; D96-I99 PolarHBondContact OD2-N 2.77Å; I99-L101 VanDerWaalsContact C-N 3.25Å; I99-L101 PolarHBondContact O-N 3.23Å; I99-E102 PolarHBondContact O-N 2.89Å; I99-Y103 HydrophobicContact CG2-CD2 3.57Å; I99-Y103 HydrophobicContact CG2-CE2 3.27Å; I99-Y103 WeakPolarHBondContact O-CD2 3.34Å; I99-Y103 PolarHBondContact O-N 2.76Å
100	R	77.1	Confident	70.7	Confident	52 Å²	52	73.6 Å²	73.6	20%	0.196	38%	0.375	C	S	.	.	H	α-helix	trans	-59.3	-37.8	167.1	-176.9	172	-161.6	125.6	11	111.9	S93 L94 D96 Q98 R104 E125 N143	S93-R100 PolarHBondContact O-N 2.93Å; L94-R100 HydrophobicContact CD2-CG 3.87Å; L94-R100 WeakPolarHBondContact O-CD 3.44Å; L94-R100 PolarHBondContact O-NH1 3.44Å; D96-R100 WeakPolarHBondContact O-CB 3.14Å; D96-R100 PolarHBondContact O-N 2.82Å; Q98-R100 VanDerWaalsContact C-N 3.34Å; Q98-R100 PolarHBondContact O-N 3.48Å; R100-R104 WeakPolarHBondContact O-CB 3.47Å; R100-R104 WeakPolarHBondContact O-CD 3.3Å; R100-R104 WeakPolarHBondContact O-CG 3.2Å; R100-R104 PolarHBondContact O-N 3.01Å; R100-E125 IonicContact CZ-OE1 2.69Å; R100-E125 IonicContact CZ-OE2 3.14Å; R100-E125 IonicContact NH1-OE1 3.73Å; R100-E125 PolarHBondContact NH1-OE1 2.91Å; R100-E125 IonicContact NH1-OE2 2.69Å; R100-E125 IonicContact NH2-OE1 3.79Å; R100-E125 PolarHBondContact NH2-OE1 3.47Å; R100-E125 IonicContact NH2-OE2 3.34Å; R100-E125 PolarHBondContact NH2-OE2 3.14Å; R100-N143 PolarHBondContact NH2-OD1 3.45Å
101	L	81.9	Confident	73.2	Confident	107 Å²	107	71.2 Å²	71.2	56%	0.56	36%	0.361	S	S	*	.	H	α-helix	trans	-71.4	-45	174.9	-176.2	61.7	0	0	0	111.4	P97 Q98 I99 Y103 R104 T105	P97-L101 VanDerWaalsContact O-CB 3.31Å; P97-L101 WeakPolarHBondContact O-CB 3.24Å; P97-L101 PolarHBondContact O-N 3.4Å; Q98-L101 CarbonylContact O-C 3.53Å; Q98-L101 WeakPolarHBondContact O-CA 3.25Å; Q98-L101 WeakPolarHBondContact O-CB 3.16Å; Q98-L101 PolarHBondContact O-N 3.16Å; I99-L101 VanDerWaalsContact C-N 3.25Å; I99-L101 PolarHBondContact O-N 3.23Å; L101-Y103 PolarHBondContact O-N 2.76Å; L101-R104 CarbonylContact O-C 3.01Å; L101-R104 WeakPolarHBondContact O-CA 3.2Å; L101-R104 WeakPolarHBondContact O-CB 3.03Å; L101-R104 PolarHBondContact O-N 3.43Å; L101-T105 HydrophobicContact CD1-CG2 3.96Å; L101-T105 HydrophobicContact CG-CG2 4.44Å; L101-T105 PolarHBondContact O-N 2.94Å; L101-T105 PolarHBondContact O-OG1 3.43Å; L101-T105 VanDerWaalsContact O-OG1 3.11Å
102	E	83.2	Confident	75.2	Confident	91 Å²	91	72.9 Å²	72.9	43%	0.425	37%	0.372	S	S	.	.	H	α-helix	trans	-53.9	-52.4	174.2	-80.4	-155.1	-138.6	0	0	111.4	Q98 I99 R104 T105 K106	Q98-E102 PolarHBondContact O-N 3.32Å; I99-E102 PolarHBondContact O-N 2.89Å; E102-R104 PolarHBondContact O-N 3.24Å; E102-T105 PolarHBondContact O-N 3.28Å; E102-T105 PolarHBondContact O-OG1 3.34Å; E102-K106 WeakPolarHBondContact O-CA 3.48Å; E102-K106 WeakPolarHBondContact O-CB 3.26Å; E102-K106 PolarHBondContact O-N 3.34Å; E102-K106 WeakPolarHBondContact OE2-CD 3.41Å; E102-K106 IonicContact OE2-NZ 2.78Å; E102-K106 PolarHBondContact OE2-NZ 2.96Å
103	Y	86.4	Confident	77.6	Confident	56 Å²	56	73 Å²	73	22%	0.22	37%	0.371	C	S	.	.	H	α-helix	trans	-63.6	-25.8	178.3	-73	-47.3	0	0	0	113.3	I99 L101 P111 P112 F113 N143 F144 A145	I99-Y103 HydrophobicContact CG2-CD2 3.57Å; I99-Y103 HydrophobicContact CG2-CE2 3.27Å; I99-Y103 WeakPolarHBondContact O-CD2 3.34Å; I99-Y103 PolarHBondContact O-N 2.76Å; L101-Y103 PolarHBondContact O-N 2.76Å; Y103-P111 HydrophobicContact CD1-CB 4.26Å; Y103-P111 HydrophobicContact CD1-CG 4.25Å; Y103-P111 HydrophobicContact CE1-CB 4.1Å; Y103-P111 HydrophobicContact CE1-CG 4.49Å; Y103-P112 WeakPolarHBondContact OH-CD 3.42Å; Y103-P112 WeakPolarHBondContact OH-CG 3.29Å; Y103-F113 HydrophobicContact CD2-CE2 4.2Å; Y103-F113 AromaticContact CE2-CE2 3.65Å; Y103-F113 HydrophobicContact CE2-CE2 3.65Å; Y103-F113 HydrophobicContact CE2-CZ 4.01Å; Y103-F113 AromaticContact CZ-CE2 3.96Å; Y103-N143 CarbonylContact C-O 3.1Å; Y103-F144 HydrophobicContact CD1-CD1 4.16Å; Y103-F144 HydrophobicContact CD1-CE1 4.21Å; Y103-F144 HydrophobicContact CD2-CD1 4.45Å; Y103-F144 AromaticContact CD2-CE1 3.83Å; Y103-F144 HydrophobicContact CD2-CE1 3.83Å; Y103-F144 HydrophobicContact CE2-CE1 4.48Å; Y103-F144 AromaticContact CG-CD1 3.85Å; Y103-F144 HydrophobicContact CG-CD1 3.85Å; Y103-F144 AromaticContact CG-CE1 3.69Å; Y103-F144 HydrophobicContact CG-CE1 3.69Å; Y103-F144 CarbonylContact O-C 3.53Å; Y103-F144 VanDerWaalsContact O-CA 3.32Å; Y103-F144 WeakPolarHBondContact O-CA 3.13Å; Y103-A145 PolarHBondContact O-N 3.05Å
104	R	87.1	Confident	79.5	Confident	99 Å²	99	73.3 Å²	73.3	37%	0.374	37%	0.372	S	S	.	.	H	α-helix	trans	-80	-19.8	177	-80.8	178.2	167.7	-152.5	-4.5	114.8	R100 L101 E102 N143 R148	R100-R104 WeakPolarHBondContact O-CB 3.47Å; R100-R104 WeakPolarHBondContact O-CD 3.3Å; R100-R104 WeakPolarHBondContact O-CG 3.2Å; R100-R104 PolarHBondContact O-N 3.01Å; L101-R104 CarbonylContact O-C 3.01Å; L101-R104 WeakPolarHBondContact O-CA 3.2Å; L101-R104 WeakPolarHBondContact O-CB 3.03Å; L101-R104 PolarHBondContact O-N 3.43Å; E102-R104 PolarHBondContact O-N 3.24Å; R104-N143 WeakPolarHBondContact CG-O 3.4Å; R104-N143 PolarHBondContact NE-OD1 2.89Å; R104-N143 VanDerWaalsContact NE-OD1 3.13Å; R104-N143 PolarHBondContact NH2-OD1 3.47Å; R104-R148 PolarHBondContact O-NH1 3.03Å; R104-R148 PolarHBondContact O-NH2 3.33Å
105	T	85	Confident	81.2	Confident	92 Å²	92	74.5 Å²	74.5	56%	0.564	38%	0.377	S	S	*	.	H	α-helix	trans	-111.6	-41.3	-179.1	58.1	0	0	0	0	112.9	L101 E102 W107	L101-T105 HydrophobicContact CD1-CG2 3.96Å; L101-T105 HydrophobicContact CG-CG2 4.44Å; L101-T105 PolarHBondContact O-N 2.94Å; L101-T105 PolarHBondContact O-OG1 3.43Å; L101-T105 VanDerWaalsContact O-OG1 3.11Å; E102-T105 PolarHBondContact O-N 3.28Å; E102-T105 PolarHBondContact O-OG1 3.34Å; T105-W107 PolarHBondContact O-N 3.28Å
106	K	83.9	Confident	82.9	Confident	106 Å²	106	69.6 Å²	69.6	46%	0.461	35%	0.353	S	S	.	.			trans	-87.1	97.3	-169	-167.8	169.7	172.4	178.7	0	111.6	E102 T108	E102-K106 WeakPolarHBondContact O-CA 3.48Å; E102-K106 WeakPolarHBondContact O-CB 3.26Å; E102-K106 PolarHBondContact O-N 3.34Å; E102-K106 WeakPolarHBondContact OE2-CD 3.41Å; E102-K106 IonicContact OE2-NZ 2.78Å; E102-K106 PolarHBondContact OE2-NZ 2.96Å; K106-T108 VanDerWaalsContact C-N 3.28Å; K106-T108 WeakPolarHBondContact CG-OG1 3.33Å; K106-T108 PolarHBondContact O-N 2.96Å
107	W	85.7	Confident	84.4	Confident	154 Å²	154	68.1 Å²	68.1	58%	0.583	35%	0.345	S	S	*	.			trans	-71.9	-11.6	173.5	64.9	-16.1	0	0	0	115.4	T105 G109 A145 H149	T105-W107 PolarHBondContact O-N 3.28Å; W107-G109 PolarHBondContact O-N 3.23Å; W107-A145 HydrophobicContact CB-CB 4.37Å; W107-H149 HydrophobicContact CE3-CB 3.88Å; W107-H149 AromaticContact CE3-CD2 3.7Å; W107-H149 AromaticContact CE3-CG 3.54Å; W107-H149 AromaticContact CE3-ND1 3.75Å; W107-H149 HydrophobicContact CZ3-CB 4.42Å; W107-H149 AromaticContact CZ3-CD2 3.89Å
108	T	75.9	Confident	85.4	Confident	109 Å²	109	63.3 Å²	63.3	67%	0.669	31%	0.314	S	S	*	.	S	Bend	trans	-73.8	1.1	-162.2	63	0	0	0	0	116.1	K106	K106-T108 VanDerWaalsContact C-N 3.28Å; K106-T108 WeakPolarHBondContact CG-OG1 3.33Å; K106-T108 PolarHBondContact O-N 2.96Å
109	G	81.4	Confident	86.5	Confident	39 Å²	39	56.1 Å²	56.1	40%	0.402	28%	0.28	S	S	.	.	S	Bend	trans	-156.2	145.4	-179.8	0	0	0	0	0	112.7	W107 P111	W107-G109 PolarHBondContact O-N 3.23Å; G109-P111 WeakPolarHBondContact O-CD 3.47Å
110	K	87.9	Confident	87.2	Confident	106 Å²	106	55.6 Å²	55.6	46%	0.461	28%	0.279	S	S	.	.			trans	-66.4	127	172.2	-175.8	166.7	-173.4	165.9	0	109.4	Y115 Y146 Y147	K110-Y115 PolarHBondContact NZ-OH 2.78Å; K110-Y146 HydrophobicContact CB-CD1 4.32Å; K110-Y146 HydrophobicContact CB-CD2 4.46Å; K110-Y146 HydrophobicContact CB-CE1 3.78Å; K110-Y146 HydrophobicContact CB-CE2 3.95Å; K110-Y146 HydrophobicContact CD-CE1 3.98Å; K110-Y146 HydrophobicContact CG-CD1 4.18Å; K110-Y146 HydrophobicContact CG-CE1 3.58Å; K110-Y147 WeakPolarHBondContact CE-OH 3.18Å
111	P	88.5	Confident	87.9	Confident	7 Å²	7	53.4 Å²	53.4	5%	0.045	27%	0.271	C	S	.	.			trans	-59.3	146.3	176.5	-24.2	33.8	0	0	0	111.8	Y103 G109 F113 F144 Y147	Y103-P111 HydrophobicContact CD1-CB 4.26Å; Y103-P111 HydrophobicContact CD1-CG 4.25Å; Y103-P111 HydrophobicContact CE1-CB 4.1Å; Y103-P111 HydrophobicContact CE1-CG 4.49Å; G109-P111 WeakPolarHBondContact O-CD 3.47Å; P111-F113 HydrophobicContact CB-CD2 3.56Å; P111-F113 HydrophobicContact CB-CE2 4.09Å; P111-F113 PolarHBondContact O-N 2.64Å; P111-F144 HydrophobicContact CB-CD1 3.78Å; P111-F144 HydrophobicContact CB-CE1 3.87Å; P111-F144 HydrophobicContact CG-CB 4.21Å; P111-F144 HydrophobicContact CG-CD1 3.36Å; P111-F144 HydrophobicContact CG-CE1 3.99Å; P111-F144 HydrophobicContact CG-CG 4.01Å; P111-Y147 HydrophobicContact CG-CE2 4.17Å
112	P	87.9	Confident	88.5	Confident	66 Å²	66	48.3 Å²	48.3	43%	0.429	24%	0.244	S	C	.	.	S	Bend	trans	-76.3	50.7	177.7	35.4	-37.1	0	0	0	110.9	Y103 S943 F944	Y103-P112 WeakPolarHBondContact OH-CD 3.42Å; Y103-P112 WeakPolarHBondContact OH-CG 3.29Å; P112-S943 CarbonylContact C-O 3Å; P112-S943 CarbonylContact O-C 3.58Å; P112-F944 CarbonylContact O-C 3.59Å; P112-F944 WeakPolarHBondContact O-CA 3.22Å; P112-F944 PolarHBondContact O-N 3.11Å
113	F	88.9	Confident	88.9	Confident	10 Å²	10	44.7 Å²	44.7	4%	0.044	23%	0.227	C	C	.	.			trans	-133.1	138.7	-179.9	-53.6	-65.3	0	0	0	110.7	Y103 P111 T117 L118 F144 S943 N945	Y103-F113 HydrophobicContact CD2-CE2 4.2Å; Y103-F113 AromaticContact CE2-CE2 3.65Å; Y103-F113 HydrophobicContact CE2-CE2 3.65Å; Y103-F113 HydrophobicContact CE2-CZ 4.01Å; Y103-F113 AromaticContact CZ-CE2 3.96Å; P111-F113 HydrophobicContact CB-CD2 3.56Å; P111-F113 HydrophobicContact CB-CE2 4.09Å; P111-F113 PolarHBondContact O-N 2.64Å; F113-T117 HydrophobicContact CB-CG2 4.14Å; F113-T117 HydrophobicContact CD1-CG2 3.99Å; F113-T117 HydrophobicContact CG-CG2 4.41Å; F113-L118 HydrophobicContact CB-CD1 4.38Å; F113-L118 HydrophobicContact CB-CD2 3.84Å; F113-L118 HydrophobicContact CB-CG 3.86Å; F113-L118 HydrophobicContact CD2-CD2 4.41Å; F113-L118 HydrophobicContact CG-CD2 4.44Å; F113-F144 AromaticContact CD2-CE1 3.63Å; F113-F144 HydrophobicContact CD2-CE1 3.63Å; F113-F144 AromaticContact CD2-CZ 3.63Å; F113-F144 HydrophobicContact CD2-CZ 3.63Å; F113-F144 AromaticContact CE2-CE1 3.59Å; F113-F144 HydrophobicContact CE2-CE1 3.59Å; F113-F144 AromaticContact CE2-CZ 3.77Å; F113-F144 HydrophobicContact CE2-CZ 3.77Å; F113-S943 CarbonylContact C-O 3.29Å; F113-S943 WeakPolarHBondContact CA-O 3.22Å; F113-S943 PolarHBondContact N-O 3.05Å; F113-N945 HydrophobicContact CD1-CB 4.35Å; F113-N945 WeakPolarHBondContact CD1-OD1 3.34Å; F113-N945 HydrophobicContact CE1-CB 3.92Å; F113-N945 WeakPolarHBondContact CE1-OD1 3.35Å
114	S	92.3	Very high	89	Confident	8 Å²	8	47.8 Å²	47.8	6%	0.056	24%	0.239	C	C	.	.			trans	-79.1	157.4	174.4	73.9	0	0	0	0	110.9	A116 T117 L118 A942 S943	S114-A116 PolarHBondContact O-N 2.73Å; S114-A116 PolarHBondContact OG-N 2.94Å; S114-T117 PolarHBondContact O-N 2.64Å; S114-T117 PolarHBondContact OG-N 2.73Å; S114-L118 WeakPolarHBondContact O-CB 3.4Å; S114-L118 VanDerWaalsContact O-CG 3.25Å; S114-L118 WeakPolarHBondContact O-CG 3.3Å; S114-L118 PolarHBondContact O-N 2.96Å; S114-A942 VanDerWaalsContact CB-CA 3.48Å; S114-S943 PolarHBondContact N-O 2.91Å
115	Y	94.4	Very high	89.2	Confident	33 Å²	33	46 Å²	46	13%	0.129	24%	0.235	C	C	.	.	H	α-helix	trans	-52.7	-39.5	169.7	-51.5	-59.4	0	0	0	112.1	K110 L118 I119 Y147 W154 V158	K110-Y115 PolarHBondContact NZ-OH 2.78Å; Y115-L118 HydrophobicContact CD1-CD1 4.31Å; Y115-L118 PolarHBondContact O-N 3.02Å; Y115-I119 WeakPolarHBondContact O-CB 3.24Å; Y115-I119 VanDerWaalsContact O-CD1 3.25Å; Y115-I119 WeakPolarHBondContact O-CD1 3.33Å; Y115-I119 WeakPolarHBondContact O-CG1 3.42Å; Y115-I119 PolarHBondContact O-N 3.46Å; Y115-Y147 HydrophobicContact CE1-CE1 4.12Å; Y115-W154 HydrophobicContact CE1-CB 4.12Å; Y115-V158 HydrophobicContact CD1-CG2 3.95Å; Y115-V158 HydrophobicContact CG-CG2 4.36Å
116	A	93.5	Very high	89.5	Confident	13 Å²	13	44 Å²	44	11%	0.107	22%	0.22	C	C	.	.	H	α-helix	trans	-58.5	-53.2	172.6	0	0	0	0	0	112.2	S114 L118 I119 C120 F168	S114-A116 PolarHBondContact O-N 2.73Å; S114-A116 PolarHBondContact OG-N 2.94Å; A116-L118 VanDerWaalsContact C-N 3.33Å; A116-L118 PolarHBondContact O-N 3.11Å; A116-I119 WeakPolarHBondContact O-CB 3.47Å; A116-I119 PolarHBondContact O-N 3.14Å; A116-C120 PolarHBondContact O-N 3.12Å; A116-C120 PolarHBondContact O-SG 2.83Å; A116-F168 HydrophobicContact CB-CE2 4.24Å; A116-F168 HydrophobicContact CB-CZ 4.43Å
117	T	91.6	Very high	89.7	Confident	7 Å²	7	42.1 Å²	42.1	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-39	175.8	-77.9	0	0	0	0	112.8	F113 S114 I119 C120 L121 N945	F113-T117 HydrophobicContact CB-CG2 4.14Å; F113-T117 HydrophobicContact CD1-CG2 3.99Å; F113-T117 HydrophobicContact CG-CG2 4.41Å; S114-T117 PolarHBondContact O-N 2.64Å; S114-T117 PolarHBondContact OG-N 2.73Å; T117-I119 VanDerWaalsContact C-N 3.32Å; T117-I119 PolarHBondContact O-N 3.09Å; T117-C120 WeakPolarHBondContact O-CB 3.43Å; T117-C120 PolarHBondContact O-N 3.27Å; T117-C120 VanDerWaalsContact O-N 3.14Å; T117-L121 HydrophobicContact CG2-CD1 3.66Å; T117-L121 HydrophobicContact CG2-CG 4.21Å; T117-L121 WeakPolarHBondContact O-CB 3.44Å; T117-L121 WeakPolarHBondContact O-CG 3.48Å; T117-L121 PolarHBondContact O-N 3.43Å; T117-N945 WeakPolarHBondContact CG2-OD1 3.35Å
118	L	93.1	Very high	89.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-37.7	177.2	-69	167.2	0	0	0	111.5	F113 S114 Y115 A116 A122 W139 I140 F144 Y147	F113-L118 HydrophobicContact CB-CD1 4.38Å; F113-L118 HydrophobicContact CB-CD2 3.84Å; F113-L118 HydrophobicContact CB-CG 3.86Å; F113-L118 HydrophobicContact CD2-CD2 4.41Å; F113-L118 HydrophobicContact CG-CD2 4.44Å; S114-L118 WeakPolarHBondContact O-CB 3.4Å; S114-L118 VanDerWaalsContact O-CG 3.25Å; S114-L118 WeakPolarHBondContact O-CG 3.3Å; S114-L118 PolarHBondContact O-N 2.96Å; Y115-L118 HydrophobicContact CD1-CD1 4.31Å; Y115-L118 PolarHBondContact O-N 3.02Å; A116-L118 VanDerWaalsContact C-N 3.33Å; A116-L118 PolarHBondContact O-N 3.11Å; L118-A122 WeakPolarHBondContact O-CB 3.37Å; L118-A122 PolarHBondContact O-N 3.3Å; L118-W139 HydrophobicContact CD2-CZ3 4.33Å; L118-W139 WeakPolarHBondContact O-CZ3 3.48Å; L118-I140 HydrophobicContact CB-CD1 3.9Å; L118-I140 HydrophobicContact CB-CG1 4.13Å; L118-F144 HydrophobicContact CD2-CD2 3.72Å; L118-F144 HydrophobicContact CD2-CE2 3.23Å; L118-F144 HydrophobicContact CD2-CZ 3.75Å; L118-Y147 HydrophobicContact CD1-CE2 3.64Å
119	I	94	Very high	90.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-45.1	169.7	-65.7	155.4	0	0	0	110.6	Y115 A116 T117 L121 A122 M123 I136 V158 N161 L162 F168	Y115-I119 WeakPolarHBondContact O-CB 3.24Å; Y115-I119 VanDerWaalsContact O-CD1 3.25Å; Y115-I119 WeakPolarHBondContact O-CD1 3.33Å; Y115-I119 WeakPolarHBondContact O-CG1 3.42Å; Y115-I119 PolarHBondContact O-N 3.46Å; A116-I119 WeakPolarHBondContact O-CB 3.47Å; A116-I119 PolarHBondContact O-N 3.14Å; T117-I119 VanDerWaalsContact C-N 3.32Å; T117-I119 PolarHBondContact O-N 3.09Å; I119-L121 PolarHBondContact O-N 2.98Å; I119-A122 WeakPolarHBondContact O-CB 3.15Å; I119-A122 PolarHBondContact O-N 2.95Å; I119-M123 HydrophobicContact CG2-CE 3.64Å; I119-M123 HydrophobicContact CG2-CG 4.4Å; I119-M123 HydrophobicContact CG2-SD 3.86Å; I119-M123 WeakPolarHBondContact O-CB 3.5Å; I119-M123 WeakPolarHBondContact O-CG 3.42Å; I119-M123 PolarHBondContact O-N 3.15Å; I119-I136 HydrophobicContact CG1-CG2 4.06Å; I119-I136 HydrophobicContact CG2-CD1 4.29Å; I119-V158 HydrophobicContact CD1-CG1 4.22Å; I119-V158 HydrophobicContact CG1-CG1 4.13Å; I119-N161 HydrophobicContact CD1-CB 3.92Å; I119-L162 HydrophobicContact CD1-CD2 3.89Å; I119-L162 HydrophobicContact CD1-CG 3.77Å; I119-L162 HydrophobicContact CG1-CD2 4.25Å; I119-L162 HydrophobicContact CG1-CG 4.41Å; I119-L162 HydrophobicContact CG2-CD2 3.7Å; I119-F168 HydrophobicContact CB-CE1 4.13Å; I119-F168 HydrophobicContact CB-CE2 4.26Å; I119-F168 HydrophobicContact CB-CZ 3.8Å; I119-F168 HydrophobicContact CD1-CD2 4.47Å; I119-F168 HydrophobicContact CD1-CE2 4Å; I119-F168 HydrophobicContact CD1-CZ 4.4Å; I119-F168 HydrophobicContact CG2-CD1 3.79Å; I119-F168 HydrophobicContact CG2-CD2 4.39Å; I119-F168 HydrophobicContact CG2-CE1 3.41Å; I119-F168 VanDerWaalsContact CG2-CE1 3.41Å; I119-F168 HydrophobicContact CG2-CE2 4.06Å; I119-F168 HydrophobicContact CG2-CG 4.27Å; I119-F168 HydrophobicContact CG2-CZ 3.56Å
120	C	91.7	Very high	90.8	Very high	12 Å²	12	39.3 Å²	39.3	8%	0.081	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-47.2	178.4	-56.3	0	0	0	0	112.5	A116 T117 M123 R124 L194	A116-C120 PolarHBondContact O-N 3.12Å; A116-C120 PolarHBondContact O-SG 2.83Å; T117-C120 WeakPolarHBondContact O-CB 3.43Å; T117-C120 PolarHBondContact O-N 3.27Å; T117-C120 VanDerWaalsContact O-N 3.14Å; C120-M123 PolarHBondContact O-N 2.97Å; C120-R124 WeakPolarHBondContact O-CB 3.34Å; C120-R124 PolarHBondContact O-N 3.21Å; C120-L194 HydrophobicContact CB-CD1 4.34Å; C120-L194 HydrophobicContact CB-CD2 3.91Å; C120-L194 HydrophobicContact CB-CG 4.22Å; C120-L194 WeakPolarHBondContact SG-CD1 3.31Å; C120-L194 WeakPolarHBondContact SG-CG 3.33Å
121	L	91.3	Very high	91.1	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-39.3	180	-68.5	167.5	0	0	0	110.9	L94 T117 I119 R124 E125 W139 L198	L94-L121 HydrophobicContact CD1-CD1 3.89Å; T117-L121 HydrophobicContact CG2-CD1 3.66Å; T117-L121 HydrophobicContact CG2-CG 4.21Å; T117-L121 WeakPolarHBondContact O-CB 3.44Å; T117-L121 WeakPolarHBondContact O-CG 3.48Å; T117-L121 PolarHBondContact O-N 3.43Å; I119-L121 PolarHBondContact O-N 2.98Å; L121-R124 PolarHBondContact O-N 2.91Å; L121-E125 WeakPolarHBondContact O-CB 3.47Å; L121-E125 PolarHBondContact O-N 2.86Å; L121-W139 HydrophobicContact CB-CH2 3.31Å; L121-W139 HydrophobicContact CB-CZ2 3.76Å; L121-W139 HydrophobicContact CB-CZ3 4Å; L121-W139 HydrophobicContact CD1-CH2 4.32Å; L121-W139 HydrophobicContact CG-CH2 4.44Å; L121-L198 HydrophobicContact CD2-CD1 4.1Å
122	A	93.6	Very high	91.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.7	-53.8	170.2	0	0	0	0	0	111.6	L118 I119 R124 E125 L126 I136 W139	L118-A122 WeakPolarHBondContact O-CB 3.37Å; L118-A122 PolarHBondContact O-N 3.3Å; I119-A122 WeakPolarHBondContact O-CB 3.15Å; I119-A122 PolarHBondContact O-N 2.95Å; A122-R124 VanDerWaalsContact C-N 3.3Å; A122-R124 PolarHBondContact O-N 3.26Å; A122-E125 PolarHBondContact O-N 3.38Å; A122-L126 HydrophobicContact CB-CD1 4.34Å; A122-L126 WeakPolarHBondContact O-CB 3.46Å; A122-L126 VanDerWaalsContact O-CD1 3.29Å; A122-L126 WeakPolarHBondContact O-CD1 3.21Å; A122-L126 WeakPolarHBondContact O-CG 3.36Å; A122-L126 PolarHBondContact O-N 2.77Å; A122-I136 HydrophobicContact CB-CG2 4.4Å; A122-W139 VanDerWaalsContact CA-CD2 3.42Å; A122-W139 HydrophobicContact CB-CB 3.95Å; A122-W139 HydrophobicContact CB-CD2 3.62Å; A122-W139 HydrophobicContact CB-CE3 3.51Å; A122-W139 HydrophobicContact CB-CG 3.8Å; A122-W139 HydrophobicContact CB-CZ3 4.29Å
123	M	92.6	Very high	91.8	Very high	15 Å²	15	34.4 Å²	34.4	7%	0.074	19%	0.189	C	C	.	.	H	α-helix	trans	-58.5	-41.4	179.9	-73.8	176.1	174.6	0	0	112.1	I119 C120 V131 I136 L162 F168 W184 V186	I119-M123 HydrophobicContact CG2-CE 3.64Å; I119-M123 HydrophobicContact CG2-CG 4.4Å; I119-M123 HydrophobicContact CG2-SD 3.86Å; I119-M123 WeakPolarHBondContact O-CB 3.5Å; I119-M123 WeakPolarHBondContact O-CG 3.42Å; I119-M123 PolarHBondContact O-N 3.15Å; C120-M123 PolarHBondContact O-N 2.97Å; M123-V131 HydrophobicContact CE-CG2 3.76Å; M123-V131 HydrophobicContact CG-CG2 3.68Å; M123-I136 HydrophobicContact CE-CD1 4.1Å; M123-L162 HydrophobicContact CE-CD2 4.22Å; M123-F168 HydrophobicContact CE-CD1 4.01Å; M123-F168 HydrophobicContact SD-CD1 3.86Å; M123-F168 HydrophobicContact SD-CE1 4.07Å; M123-W184 HydrophobicContact CE-CB 3.6Å; M123-V186 HydrophobicContact CB-CG2 4.32Å; M123-V186 HydrophobicContact SD-CG2 3.53Å; M123-V186 VanDerWaalsContact SD-CG2 3.53Å
124	R	89.4	Confident	92.1	Very high	122 Å²	122	37.9 Å²	37.9	46%	0.46	21%	0.214	S	C	.	.	H	α-helix	trans	-68.8	-46.6	179.2	-168.5	179.5	71.5	164.3	4.4	112.8	C120 L121 A122 G127	C120-R124 WeakPolarHBondContact O-CB 3.34Å; C120-R124 PolarHBondContact O-N 3.21Å; L121-R124 PolarHBondContact O-N 2.91Å; A122-R124 VanDerWaalsContact C-N 3.3Å; A122-R124 PolarHBondContact O-N 3.26Å; R124-G127 PolarHBondContact O-N 3.48Å
125	E	90.2	Very high	92.3	Very high	61 Å²	61	39.3 Å²	39.3	29%	0.285	22%	0.222	S	C	.	.	H	α-helix	trans	-78.1	-25	-177.7	-72.3	-165	176.5	0	0	114.1	R100 L121 A122 G127 W139	R100-E125 IonicContact CZ-OE1 2.69Å; R100-E125 IonicContact CZ-OE2 3.14Å; R100-E125 IonicContact NH1-OE1 3.73Å; R100-E125 PolarHBondContact NH1-OE1 2.91Å; R100-E125 IonicContact NH1-OE2 2.69Å; R100-E125 IonicContact NH2-OE1 3.79Å; R100-E125 PolarHBondContact NH2-OE1 3.47Å; R100-E125 IonicContact NH2-OE2 3.34Å; R100-E125 PolarHBondContact NH2-OE2 3.14Å; L121-E125 WeakPolarHBondContact O-CB 3.47Å; L121-E125 PolarHBondContact O-N 2.86Å; A122-E125 PolarHBondContact O-N 3.38Å; E125-G127 PolarHBondContact O-N 3.46Å; E125-W139 HydrophobicContact CG-CZ2 4.35Å; E125-W139 WeakPolarHBondContact OE2-CZ2 3.48Å; E125-W139 PolarHBondContact OE2-NE1 2.81Å
126	L	91.9	Very high	92.4	Very high	50 Å²	50	37.7 Å²	37.7	26%	0.262	22%	0.215	S	C	.	.	H	α-helix	trans	-70.5	-19.5	173.4	-72.9	165.2	0	0	0	112.3	A122 K128 V131 D135	A122-L126 HydrophobicContact CB-CD1 4.34Å; A122-L126 WeakPolarHBondContact O-CB 3.46Å; A122-L126 VanDerWaalsContact O-CD1 3.29Å; A122-L126 WeakPolarHBondContact O-CD1 3.21Å; A122-L126 WeakPolarHBondContact O-CG 3.36Å; A122-L126 PolarHBondContact O-N 2.77Å; L126-K128 HydrophobicContact CB-CG 4.4Å; L126-K128 WeakPolarHBondContact O-CG 3.45Å; L126-K128 PolarHBondContact O-N 2.91Å; L126-V131 HydrophobicContact CB-CG1 4.11Å; L126-V131 HydrophobicContact CD1-CB 4.3Å; L126-V131 HydrophobicContact CD1-CG1 3.74Å; L126-D135 HydrophobicContact CD1-CB 3.67Å; L126-D135 HydrophobicContact CD2-CB 4.43Å
127	G	87.1	Confident	92.5	Very high	66 Å²	66	38.6 Å²	38.6	68%	0.68	22%	0.216	S	C	*	.			trans	66.1	-1.5	179	0	0	0	0	0	115.7	R124 E125	R124-G127 PolarHBondContact O-N 3.48Å; E125-G127 PolarHBondContact O-N 3.46Å
128	K	87.8	Confident	92.7	Very high	85 Å²	85	39 Å²	39	37%	0.37	22%	0.222	S	C	.	.			trans	-83.3	136	-177	-48.9	-179.2	-175.8	178.3	0	110.6	L126 K130 V131 D135	L126-K128 HydrophobicContact CB-CG 4.4Å; L126-K128 WeakPolarHBondContact O-CG 3.45Å; L126-K128 PolarHBondContact O-N 2.91Å; K128-K130 VanDerWaalsContact CB-O 3.32Å; K128-K130 WeakPolarHBondContact CB-O 3.34Å; K128-K130 PolarHBondContact O-N 3.4Å; K128-V131 HydrophobicContact CB-CG1 3.9Å; K128-V131 HydrophobicContact CD-CG1 4.35Å; K128-V131 HydrophobicContact CG-CG1 4.44Å; K128-D135 IonicContact NZ-OD1 3.89Å; K128-D135 PolarHBondContact NZ-OD1 3.48Å; K128-D135 IonicContact NZ-OD2 3.17Å
129	P	88	Confident	92.8	Very high	109 Å²	109	39.8 Å²	39.8	71%	0.708	23%	0.225	S	C	*	.	S	Bend	trans	-69.5	-17.2	176.4	29.6	-36.3	0	0	0	113.5	R185	P129-R185 VanDerWaalsContact O-CB 3.23Å; P129-R185 WeakPolarHBondContact O-CB 3.49Å
130	K	91.5	Very high	92.8	Very high	49 Å²	49	39.8 Å²	39.8	21%	0.213	23%	0.225	C	C	.	.	S	Bend	trans	-142.4	130.2	171	63.4	179.1	175.9	173.9	0	108.5	K128 D174 E177 F183	K128-K130 VanDerWaalsContact CB-O 3.32Å; K128-K130 WeakPolarHBondContact CB-O 3.34Å; K128-K130 PolarHBondContact O-N 3.4Å; K130-D174 IonicContact NZ-OD2 3.47Å; K130-D174 PolarHBondContact NZ-OD2 3.43Å; K130-E177 WeakPolarHBondContact CE-OE1 3.25Å; K130-E177 IonicContact NZ-OE1 2.75Å; K130-E177 PolarHBondContact NZ-OE1 3.34Å; K130-E177 IonicContact NZ-OE2 3.34Å; K130-E177 PolarHBondContact NZ-OE2 3.4Å; K130-F183 HydrophobicContact CB-CB 3.84Å; K130-F183 HydrophobicContact CB-CD1 4.14Å; K130-F183 HydrophobicContact CB-CG 4.13Å; K130-F183 HydrophobicContact CD-CB 4.24Å; K130-F183 HydrophobicContact CD-CD1 4.1Å; K130-F183 HydrophobicContact CD-CD2 3.93Å; K130-F183 HydrophobicContact CD-CE1 4.41Å; K130-F183 HydrophobicContact CD-CE2 4.27Å; K130-F183 HydrophobicContact CD-CG 3.85Å; K130-F183 HydrophobicContact CD-CZ 4.48Å; K130-F183 HydrophobicContact CG-CB 4.24Å; K130-F183 HydrophobicContact CG-CD1 3.81Å; K130-F183 HydrophobicContact CG-CE1 4.24Å; K130-F183 HydrophobicContact CG-CG 3.98Å
131	V	94.4	Very high	92.9	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	153.5	-179	-63.9	0	0	0	0	111.1	M123 L126 K128 D135 I136 F183 W184	M123-V131 HydrophobicContact CE-CG2 3.76Å; M123-V131 HydrophobicContact CG-CG2 3.68Å; L126-V131 HydrophobicContact CB-CG1 4.11Å; L126-V131 HydrophobicContact CD1-CB 4.3Å; L126-V131 HydrophobicContact CD1-CG1 3.74Å; K128-V131 HydrophobicContact CB-CG1 3.9Å; K128-V131 HydrophobicContact CD-CG1 4.35Å; K128-V131 HydrophobicContact CG-CG1 4.44Å; V131-D135 HydrophobicContact CB-CB 4.38Å; V131-I136 HydrophobicContact CG2-CD1 3.92Å; V131-I136 HydrophobicContact CG2-CG1 3.91Å; V131-F183 CarbonylContact O-C 3.55Å; V131-F183 WeakPolarHBondContact O-CA 3.28Å; V131-W184 HydrophobicContact CG2-CB 4.48Å; V131-W184 WeakPolarHBondContact CG2-O 3.46Å; V131-W184 PolarHBondContact N-O 3.03Å; V131-W184 PolarHBondContact O-N 2.91Å
132	T	95.3	Very high	93	Very high	28 Å²	28	46.4 Å²	46.4	17%	0.172	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	160.8	171.3	73.8	0	0	0	0	111.3	S134 D135 I136 F183	T132-S134 PolarHBondContact O-N 2.82Å; T132-S134 PolarHBondContact OG1-N 3.45Å; T132-D135 WeakPolarHBondContact CA-OD2 3.11Å; T132-D135 VanDerWaalsContact CB-OD2 3.28Å; T132-D135 WeakPolarHBondContact CB-OD2 3.11Å; T132-D135 WeakPolarHBondContact CG2-OD2 3.41Å; T132-D135 PolarHBondContact N-OD2 2.92Å; T132-D135 WeakPolarHBondContact O-CB 3.39Å; T132-D135 PolarHBondContact O-N 2.88Å; T132-D135 PolarHBondContact OG1-N 2.75Å; T132-D135 VanDerWaalsContact OG1-N 3.13Å; T132-D135 PolarHBondContact OG1-OD2 3.43Å; T132-I136 PolarHBondContact O-N 3.33Å; T132-F183 HydrophobicContact CG2-CD1 3.95Å; T132-F183 HydrophobicContact CG2-CE1 3.87Å
133	L	95.9	Very high	92.9	Very high	47 Å²	47	46.5 Å²	46.5	25%	0.246	26%	0.259	C	S	.	.	H	α-helix	trans	-58	-31.1	171	-179	61.4	0	0	0	112.5	I136 Y137 V158 R159 L162	L133-I136 PolarHBondContact O-N 3.41Å; L133-Y137 HydrophobicContact CD1-CD1 4.39Å; L133-Y137 HydrophobicContact CD1-CE1 3.71Å; L133-Y137 HydrophobicContact CD1-CE2 4.34Å; L133-Y137 HydrophobicContact CD2-CE2 4.27Å; L133-Y137 HydrophobicContact CG-CD2 4.49Å; L133-Y137 HydrophobicContact CG-CE1 4.15Å; L133-Y137 HydrophobicContact CG-CE2 3.85Å; L133-Y137 PolarHBondContact O-N 2.69Å; L133-Y137 VanDerWaalsContact O-N 3.15Å; L133-V158 HydrophobicContact CD1-CG1 4.4Å; L133-R159 HydrophobicContact CD1-CG 4.21Å; L133-R159 HydrophobicContact CD2-CG 4.01Å; L133-L162 HydrophobicContact CD1-CD1 3.56Å
134	S	95.1	Very high	92.9	Very high	83 Å²	83	45.8 Å²	45.8	58%	0.58	26%	0.256	S	S	*	.	H	α-helix	trans	-70.2	-40.2	177.4	-165.7	0	0	0	0	112.1	T132 I136 Y137 G138	T132-S134 PolarHBondContact O-N 2.82Å; T132-S134 PolarHBondContact OG1-N 3.45Å; S134-I136 VanDerWaalsContact C-N 3.3Å; S134-I136 PolarHBondContact O-N 2.74Å; S134-Y137 PolarHBondContact O-N 3.34Å; S134-G138 PolarHBondContact O-N 2.75Å
135	D	95.2	Very high	93	Very high	38 Å²	38	40 Å²	40	20%	0.203	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-43.6	173.6	-63.2	-80.1	0	0	0	111	L126 K128 V131 T132 G138 W139	L126-D135 HydrophobicContact CD1-CB 3.67Å; L126-D135 HydrophobicContact CD2-CB 4.43Å; K128-D135 IonicContact NZ-OD1 3.89Å; K128-D135 PolarHBondContact NZ-OD1 3.48Å; K128-D135 IonicContact NZ-OD2 3.17Å; V131-D135 HydrophobicContact CB-CB 4.38Å; T132-D135 WeakPolarHBondContact CA-OD2 3.11Å; T132-D135 VanDerWaalsContact CB-OD2 3.28Å; T132-D135 WeakPolarHBondContact CB-OD2 3.11Å; T132-D135 WeakPolarHBondContact CG2-OD2 3.41Å; T132-D135 PolarHBondContact N-OD2 2.92Å; T132-D135 WeakPolarHBondContact O-CB 3.39Å; T132-D135 PolarHBondContact O-N 2.88Å; T132-D135 PolarHBondContact OG1-N 2.75Å; T132-D135 VanDerWaalsContact OG1-N 3.13Å; T132-D135 PolarHBondContact OG1-OD2 3.43Å; D135-G138 PolarHBondContact O-N 2.82Å; D135-W139 WeakPolarHBondContact O-CB 3.31Å; D135-W139 PolarHBondContact O-N 3Å
136	I	96.5	Very high	93.1	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-49.5	179.5	-62.6	168.2	0	0	0	110.7	I119 A122 M123 V131 T132 L133 S134 G138 W139 I140 V158 L162	I119-I136 HydrophobicContact CG1-CG2 4.06Å; I119-I136 HydrophobicContact CG2-CD1 4.29Å; A122-I136 HydrophobicContact CB-CG2 4.4Å; M123-I136 HydrophobicContact CE-CD1 4.1Å; V131-I136 HydrophobicContact CG2-CD1 3.92Å; V131-I136 HydrophobicContact CG2-CG1 3.91Å; T132-I136 PolarHBondContact O-N 3.33Å; L133-I136 PolarHBondContact O-N 3.41Å; S134-I136 VanDerWaalsContact C-N 3.3Å; S134-I136 PolarHBondContact O-N 2.74Å; I136-G138 VanDerWaalsContact C-N 3.34Å; I136-G138 PolarHBondContact O-N 3.38Å; I136-W139 PolarHBondContact O-N 2.86Å; I136-I140 HydrophobicContact CG2-CD1 3.91Å; I136-I140 VanDerWaalsContact O-CG1 3.3Å; I136-I140 WeakPolarHBondContact O-CG1 3.21Å; I136-I140 PolarHBondContact O-N 3.11Å; I136-V158 HydrophobicContact CG2-CG1 4.01Å; I136-L162 HydrophobicContact CD1-CD1 4.1Å; I136-L162 HydrophobicContact CD1-CD2 4.11Å
137	Y	96	Very high	93.2	Very high	31 Å²	31	37.8 Å²	37.8	12%	0.122	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-45.1	176.8	-62.9	-27.8	0	0	0	111.8	L133 S134 I140 M141 W154 Q155 V158 R159	L133-Y137 HydrophobicContact CD1-CD1 4.39Å; L133-Y137 HydrophobicContact CD1-CE1 3.71Å; L133-Y137 HydrophobicContact CD1-CE2 4.34Å; L133-Y137 HydrophobicContact CD2-CE2 4.27Å; L133-Y137 HydrophobicContact CG-CD2 4.49Å; L133-Y137 HydrophobicContact CG-CE1 4.15Å; L133-Y137 HydrophobicContact CG-CE2 3.85Å; L133-Y137 PolarHBondContact O-N 2.69Å; L133-Y137 VanDerWaalsContact O-N 3.15Å; S134-Y137 PolarHBondContact O-N 3.34Å; Y137-I140 PolarHBondContact O-N 3.03Å; Y137-M141 WeakPolarHBondContact O-CE 3.04Å; Y137-M141 WeakPolarHBondContact O-CG 3.27Å; Y137-M141 PolarHBondContact O-N 3.39Å; Y137-W154 HydrophobicContact CD1-CH2 4.14Å; Y137-W154 AromaticContact CD1-CZ3 3.89Å; Y137-W154 HydrophobicContact CD1-CZ3 3.89Å; Y137-W154 HydrophobicContact CG-CH2 4.44Å; Y137-Q155 HydrophobicContact CD1-CB 4.35Å; Y137-Q155 HydrophobicContact CD1-CG 4.15Å; Y137-Q155 HydrophobicContact CE1-CB 3.67Å; Y137-Q155 HydrophobicContact CE1-CG 3.97Å; Y137-V158 HydrophobicContact CD1-CG1 4.31Å; Y137-V158 HydrophobicContact CE1-CB 4.25Å; Y137-V158 HydrophobicContact CE1-CG1 3.99Å; Y137-R159 WeakPolarHBondContact OH-CD 3.11Å; Y137-R159 WeakPolarHBondContact OH-CG 3.48Å; Y137-R159 PolarHBondContact OH-NH1 3.06Å
138	G	95.4	Very high	93.4	Very high	17 Å²	17	40 Å²	40	18%	0.175	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-45.2	179	0	0	0	0	0	112.4	S134 D135 I136 N142	S134-G138 PolarHBondContact O-N 2.75Å; D135-G138 PolarHBondContact O-N 2.82Å; I136-G138 VanDerWaalsContact C-N 3.34Å; I136-G138 PolarHBondContact O-N 3.38Å; G138-N142 VanDerWaalsContact O-CB 3.28Å; G138-N142 WeakPolarHBondContact O-CB 3.28Å; G138-N142 PolarHBondContact O-N 3.46Å; G138-N142 PolarHBondContact O-OD1 3.22Å
139	W	95.3	Very high	93.4	Very high	15 Å²	15	41.2 Å²	41.2	6%	0.057	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-42.7	176.9	-178.4	95.8	0	0	0	112.3	L94 L118 L121 A122 E125 D135 I136 N142 N143 F144	L94-W139 HydrophobicContact CD1-CH2 3.58Å; L94-W139 HydrophobicContact CD1-CZ2 3.78Å; L94-W139 HydrophobicContact CD2-CZ2 4.4Å; L118-W139 HydrophobicContact CD2-CZ3 4.33Å; L118-W139 WeakPolarHBondContact O-CZ3 3.48Å; L121-W139 HydrophobicContact CB-CH2 3.31Å; L121-W139 HydrophobicContact CB-CZ2 3.76Å; L121-W139 HydrophobicContact CB-CZ3 4Å; L121-W139 HydrophobicContact CD1-CH2 4.32Å; L121-W139 HydrophobicContact CG-CH2 4.44Å; A122-W139 VanDerWaalsContact CA-CD2 3.42Å; A122-W139 HydrophobicContact CB-CB 3.95Å; A122-W139 HydrophobicContact CB-CD2 3.62Å; A122-W139 HydrophobicContact CB-CE3 3.51Å; A122-W139 HydrophobicContact CB-CG 3.8Å; A122-W139 HydrophobicContact CB-CZ3 4.29Å; E125-W139 HydrophobicContact CG-CZ2 4.35Å; E125-W139 WeakPolarHBondContact OE2-CZ2 3.48Å; E125-W139 PolarHBondContact OE2-NE1 2.81Å; D135-W139 WeakPolarHBondContact O-CB 3.31Å; D135-W139 PolarHBondContact O-N 3Å; I136-W139 PolarHBondContact O-N 2.86Å; W139-N142 PolarHBondContact O-N 3.36Å; W139-N143 HydrophobicContact CZ2-CB 4.39Å; W139-N143 PolarHBondContact NE1-ND2 2.88Å; W139-N143 VanDerWaalsContact NE1-ND2 3.11Å; W139-N143 PolarHBondContact O-N 2.96Å; W139-N143 VanDerWaalsContact O-N 3.1Å; W139-N143 PolarHBondContact O-ND2 2.87Å; W139-F144 AromaticContact CH2-CE2 3.79Å; W139-F144 HydrophobicContact CH2-CE2 3.79Å; W139-F144 HydrophobicContact CZ3-CD2 4.39Å; W139-F144 AromaticContact CZ3-CE2 3.82Å; W139-F144 HydrophobicContact CZ3-CE2 3.82Å
140	I	95.1	Very high	93.5	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-50.6	178.9	-69.1	174	0	0	0	110.1	L118 I136 Y137 N142 N143 F144 Y147 W154 V158	L118-I140 HydrophobicContact CB-CD1 3.9Å; L118-I140 HydrophobicContact CB-CG1 4.13Å; I136-I140 HydrophobicContact CG2-CD1 3.91Å; I136-I140 VanDerWaalsContact O-CG1 3.3Å; I136-I140 WeakPolarHBondContact O-CG1 3.21Å; I136-I140 PolarHBondContact O-N 3.11Å; Y137-I140 PolarHBondContact O-N 3.03Å; I140-N142 PolarHBondContact O-N 3.39Å; I140-N143 PolarHBondContact O-N 2.8Å; I140-F144 WeakPolarHBondContact O-CB 3.32Å; I140-F144 PolarHBondContact O-N 3.25Å; I140-Y147 HydrophobicContact CG2-CD2 3.47Å; I140-Y147 VanDerWaalsContact CG2-CD2 3.47Å; I140-Y147 HydrophobicContact CG2-CE2 4.18Å; I140-Y147 HydrophobicContact CG2-CG 3.82Å; I140-W154 HydrophobicContact CB-CH2 4.34Å; I140-W154 HydrophobicContact CB-CZ3 4.22Å; I140-W154 HydrophobicContact CD1-CZ3 4.13Å; I140-W154 HydrophobicContact CG2-CE3 4.43Å; I140-W154 HydrophobicContact CG2-CH2 4.14Å; I140-W154 HydrophobicContact CG2-CZ3 3.92Å; I140-V158 HydrophobicContact CD1-CG2 3.94Å
141	M	93.4	Very high	93.3	Very high	51 Å²	51	41.9 Å²	41.9	25%	0.251	22%	0.216	S	C	.	.	H	α-helix	trans	-62.3	-41.6	178.7	-70.6	-175.8	-64.5	0	0	112.2	Y137 N143 R148 W154	Y137-M141 WeakPolarHBondContact O-CE 3.04Å; Y137-M141 WeakPolarHBondContact O-CG 3.27Å; Y137-M141 PolarHBondContact O-N 3.39Å; M141-N143 PolarHBondContact O-N 3.14Å; M141-R148 HydrophobicContact CB-CG 4.2Å; M141-R148 VanDerWaalsContact O-CG 3.28Å; M141-R148 WeakPolarHBondContact O-CG 3.4Å; M141-R148 PolarHBondContact O-NE 3.02Å; M141-W154 HydrophobicContact CG-CH2 3.86Å; M141-W154 HydrophobicContact CG-CZ2 3.59Å; M141-W154 HydrophobicContact SD-CH2 4.42Å; M141-W154 HydrophobicContact SD-CZ2 3.97Å
142	N	92.6	Very high	93.2	Very high	105 Å²	105	45.7 Å²	45.7	56%	0.561	24%	0.243	S	C	*	.	H	α-helix	trans	-63.6	-41.1	-179.2	-74.1	1.5	0	0	0	111.9	G138 W139 I140 R148	G138-N142 VanDerWaalsContact O-CB 3.28Å; G138-N142 WeakPolarHBondContact O-CB 3.28Å; G138-N142 PolarHBondContact O-N 3.46Å; G138-N142 PolarHBondContact O-OD1 3.22Å; W139-N142 PolarHBondContact O-N 3.36Å; I140-N142 PolarHBondContact O-N 3.39Å; N142-R148 PolarHBondContact O-NH2 2.86Å
143	N	91.8	Very high	93	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-89.1	-17.7	-176.2	-67.5	-68.7	0	0	0	115.1	L94 R100 Y103 R104 W139 I140 M141	L94-N143 HydrophobicContact CD2-CB 4.13Å; R100-N143 PolarHBondContact NH2-OD1 3.45Å; Y103-N143 CarbonylContact C-O 3.1Å; R104-N143 WeakPolarHBondContact CG-O 3.4Å; R104-N143 PolarHBondContact NE-OD1 2.89Å; R104-N143 VanDerWaalsContact NE-OD1 3.13Å; R104-N143 PolarHBondContact NH2-OD1 3.47Å; W139-N143 HydrophobicContact CZ2-CB 4.39Å; W139-N143 PolarHBondContact NE1-ND2 2.88Å; W139-N143 VanDerWaalsContact NE1-ND2 3.11Å; W139-N143 PolarHBondContact O-N 2.96Å; W139-N143 VanDerWaalsContact O-N 3.1Å; W139-N143 PolarHBondContact O-ND2 2.87Å; I140-N143 PolarHBondContact O-N 2.8Å; M141-N143 PolarHBondContact O-N 3.14Å
144	F	92.7	Very high	93	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	S	.	.			trans	-131.3	103.2	-176.4	-64	-75.2	0	0	0	111.9	L94 Y103 P111 F113 L118 W139 I140 Y146 Y147	L94-F144 HydrophobicContact CD1-CE2 4.04Å; L94-F144 HydrophobicContact CD1-CZ 3.67Å; Y103-F144 HydrophobicContact CD1-CD1 4.16Å; Y103-F144 HydrophobicContact CD1-CE1 4.21Å; Y103-F144 HydrophobicContact CD2-CD1 4.45Å; Y103-F144 AromaticContact CD2-CE1 3.83Å; Y103-F144 HydrophobicContact CD2-CE1 3.83Å; Y103-F144 HydrophobicContact CE2-CE1 4.48Å; Y103-F144 AromaticContact CG-CD1 3.85Å; Y103-F144 HydrophobicContact CG-CD1 3.85Å; Y103-F144 AromaticContact CG-CE1 3.69Å; Y103-F144 HydrophobicContact CG-CE1 3.69Å; Y103-F144 CarbonylContact O-C 3.53Å; Y103-F144 VanDerWaalsContact O-CA 3.32Å; Y103-F144 WeakPolarHBondContact O-CA 3.13Å; P111-F144 HydrophobicContact CB-CD1 3.78Å; P111-F144 HydrophobicContact CB-CE1 3.87Å; P111-F144 HydrophobicContact CG-CB 4.21Å; P111-F144 HydrophobicContact CG-CD1 3.36Å; P111-F144 HydrophobicContact CG-CE1 3.99Å; P111-F144 HydrophobicContact CG-CG 4.01Å; F113-F144 AromaticContact CD2-CE1 3.63Å; F113-F144 HydrophobicContact CD2-CE1 3.63Å; F113-F144 AromaticContact CD2-CZ 3.63Å; F113-F144 HydrophobicContact CD2-CZ 3.63Å; F113-F144 AromaticContact CE2-CE1 3.59Å; F113-F144 HydrophobicContact CE2-CE1 3.59Å; F113-F144 AromaticContact CE2-CZ 3.77Å; F113-F144 HydrophobicContact CE2-CZ 3.77Å; L118-F144 HydrophobicContact CD2-CD2 3.72Å; L118-F144 HydrophobicContact CD2-CE2 3.23Å; L118-F144 HydrophobicContact CD2-CZ 3.75Å; W139-F144 AromaticContact CH2-CE2 3.79Å; W139-F144 HydrophobicContact CH2-CE2 3.79Å; W139-F144 HydrophobicContact CZ3-CD2 4.39Å; W139-F144 AromaticContact CZ3-CE2 3.82Å; W139-F144 HydrophobicContact CZ3-CE2 3.82Å; I140-F144 WeakPolarHBondContact O-CB 3.32Å; I140-F144 PolarHBondContact O-N 3.25Å; F144-Y146 PolarHBondContact O-N 3.45Å; F144-Y147 HydrophobicContact CB-CD2 3.71Å; F144-Y147 HydrophobicContact CB-CE2 4.36Å; F144-Y147 HydrophobicContact CG-CD2 4.34Å; F144-Y147 PolarHBondContact O-N 3.23Å; F144-Y147 VanDerWaalsContact O-N 3.12Å
145	A	91.6	Very high	93	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-35.7	-179.6	0	0	0	0	0	113.2	Y103 W107 Y147 R148 H149	Y103-A145 PolarHBondContact O-N 3.05Å; W107-A145 HydrophobicContact CB-CB 4.37Å; A145-Y147 PolarHBondContact O-N 3.08Å; A145-R148 WeakPolarHBondContact O-CB 3.37Å; A145-R148 PolarHBondContact O-N 2.97Å; A145-R148 VanDerWaalsContact O-N 3.14Å; A145-H149 PolarHBondContact O-ND1 3.44Å
146	Y	92.6	Very high	93.1	Very high	60 Å²	60	47.3 Å²	47.3	24%	0.235	25%	0.248	C	C	.	.	H	α-helix	trans	-49.2	-52.7	174	177.3	-102.6	0	0	0	112.2	K110 F144 R148 H149 T150	K110-Y146 HydrophobicContact CB-CD1 4.32Å; K110-Y146 HydrophobicContact CB-CD2 4.46Å; K110-Y146 HydrophobicContact CB-CE1 3.78Å; K110-Y146 HydrophobicContact CB-CE2 3.95Å; K110-Y146 HydrophobicContact CD-CE1 3.98Å; K110-Y146 HydrophobicContact CG-CD1 4.18Å; K110-Y146 HydrophobicContact CG-CE1 3.58Å; F144-Y146 PolarHBondContact O-N 3.45Å; Y146-R148 PolarHBondContact O-N 2.93Å; Y146-R148 VanDerWaalsContact O-N 3.15Å; Y146-H149 PolarHBondContact O-N 3.15Å; Y146-H149 VanDerWaalsContact O-N 3.11Å; Y146-T150 HydrophobicContact CD1-CG2 4.1Å; Y146-T150 HydrophobicContact CD2-CG2 3.94Å; Y146-T150 HydrophobicContact CE1-CG2 3.76Å; Y146-T150 HydrophobicContact CE2-CG2 3.59Å; Y146-T150 HydrophobicContact CG-CG2 4.18Å; Y146-T150 VanDerWaalsContact CZ-CG2 3.49Å; Y146-T150 WeakPolarHBondContact O-CG2 3.37Å; Y146-T150 PolarHBondContact O-N 3.26Å; Y146-T150 VanDerWaalsContact O-N 3.16Å; Y146-T150 PolarHBondContact O-OG1 2.91Å
147	Y	93.5	Very high	93	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-72.7	-7.4	-175.8	-65.3	-62.6	0	0	0	114.6	K110 P111 Y115 L118 I140 F144 A145 W154	K110-Y147 WeakPolarHBondContact CE-OH 3.18Å; P111-Y147 HydrophobicContact CG-CE2 4.17Å; Y115-Y147 HydrophobicContact CE1-CE1 4.12Å; L118-Y147 HydrophobicContact CD1-CE2 3.64Å; I140-Y147 HydrophobicContact CG2-CD2 3.47Å; I140-Y147 VanDerWaalsContact CG2-CD2 3.47Å; I140-Y147 HydrophobicContact CG2-CE2 4.18Å; I140-Y147 HydrophobicContact CG2-CG 3.82Å; F144-Y147 HydrophobicContact CB-CD2 3.71Å; F144-Y147 HydrophobicContact CB-CE2 4.36Å; F144-Y147 HydrophobicContact CG-CD2 4.34Å; F144-Y147 PolarHBondContact O-N 3.23Å; F144-Y147 VanDerWaalsContact O-N 3.12Å; A145-Y147 PolarHBondContact O-N 3.08Å; Y147-W154 HydrophobicContact CD1-CB 3.92Å; Y147-W154 AromaticContact CD1-CD1 3.78Å; Y147-W154 AromaticContact CD1-CD2 3.88Å; Y147-W154 HydrophobicContact CD1-CD2 3.88Å; Y147-W154 HydrophobicContact CD1-CE3 4.47Å; Y147-W154 AromaticContact CD1-CG 3.61Å; Y147-W154 HydrophobicContact CD1-CG 3.61Å; Y147-W154 HydrophobicContact CE1-CB 3.99Å; Y147-W154 HydrophobicContact CE1-CG 4.19Å; Y147-W154 HydrophobicContact CG-CD2 4.37Å; Y147-W154 PolarHBondContact O-NE1 3.23Å
148	R	92.4	Very high	93.1	Very high	111 Å²	111	47.4 Å²	47.4	42%	0.419	25%	0.254	S	S	.	.	H	α-helix	trans	-78.6	-28.7	170.3	-52.3	-178.1	-162.3	138.9	8.9	112.7	R104 M141 N142 A145 Y146	R104-R148 PolarHBondContact O-NH1 3.03Å; R104-R148 PolarHBondContact O-NH2 3.33Å; M141-R148 HydrophobicContact CB-CG 4.2Å; M141-R148 VanDerWaalsContact O-CG 3.28Å; M141-R148 WeakPolarHBondContact O-CG 3.4Å; M141-R148 PolarHBondContact O-NE 3.02Å; N142-R148 PolarHBondContact O-NH2 2.86Å; A145-R148 WeakPolarHBondContact O-CB 3.37Å; A145-R148 PolarHBondContact O-N 2.97Å; A145-R148 VanDerWaalsContact O-N 3.14Å; Y146-R148 PolarHBondContact O-N 2.93Å; Y146-R148 VanDerWaalsContact O-N 3.15Å
149	H	87.7	Confident	93.1	Very high	112 Å²	112	51.3 Å²	51.3	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-113.1	-12	-169.2	-53.6	99.4	0	0	0	113.6	W107 A145 Y146	W107-H149 HydrophobicContact CE3-CB 3.88Å; W107-H149 AromaticContact CE3-CD2 3.7Å; W107-H149 AromaticContact CE3-CG 3.54Å; W107-H149 AromaticContact CE3-ND1 3.75Å; W107-H149 HydrophobicContact CZ3-CB 4.42Å; W107-H149 AromaticContact CZ3-CD2 3.89Å; A145-H149 PolarHBondContact O-ND1 3.44Å; Y146-H149 PolarHBondContact O-N 3.15Å; Y146-H149 VanDerWaalsContact O-N 3.11Å
150	T	88.8	Confident	93.2	Very high	41 Å²	41	54.1 Å²	54.1	25%	0.252	28%	0.277	S	S	.	.	S	Bend	trans	-84.4	151.1	170.8	55.4	0	0	0	0	112.6	Y146 W154	Y146-T150 HydrophobicContact CD1-CG2 4.1Å; Y146-T150 HydrophobicContact CD2-CG2 3.94Å; Y146-T150 HydrophobicContact CE1-CG2 3.76Å; Y146-T150 HydrophobicContact CE2-CG2 3.59Å; Y146-T150 HydrophobicContact CG-CG2 4.18Å; Y146-T150 VanDerWaalsContact CZ-CG2 3.49Å; Y146-T150 WeakPolarHBondContact O-CG2 3.37Å; Y146-T150 PolarHBondContact O-N 3.26Å; Y146-T150 VanDerWaalsContact O-N 3.16Å; Y146-T150 PolarHBondContact O-OG1 2.91Å; T150-W154 VanDerWaalsContact OG1-CD1 3.32Å
151	D	88.6	Confident	93.2	Very high	130 Å²	130	54.2 Å²	54.2	70%	0.695	28%	0.277	S	S	*	.			trans	-41.8	144.7	169.8	-51.8	-45.8	0	0	0	113.6	S153	D151-S153 PolarHBondContact O-N 3.08Å; D151-S153 PolarHBondContact O-OG 3.08Å
152	S	91.3	Very high	93.3	Very high	82 Å²	82	51.9 Å²	51.9	57%	0.573	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	2.6	178	62.2	0	0	0	0	115	W154 Q155	S152-W154 PolarHBondContact O-N 3.14Å; S152-Q155 VanDerWaalsContact O-CB 3.23Å; S152-Q155 WeakPolarHBondContact O-CB 3.35Å; S152-Q155 PolarHBondContact O-N 3.34Å
153	S	92.5	Very high	93.4	Very high	78 Å²	78	51.1 Å²	51.1	55%	0.545	27%	0.269	S	S	.	.	H	α-helix	trans	-52.9	-35.2	172.7	64.6	0	0	0	0	112.8	D151 Q155 N156 S157	D151-S153 PolarHBondContact O-N 3.08Å; D151-S153 PolarHBondContact O-OG 3.08Å; S153-Q155 PolarHBondContact O-N 3.33Å; S153-N156 WeakPolarHBondContact O-CB 3.37Å; S153-N156 PolarHBondContact O-N 2.68Å; S153-S157 PolarHBondContact O-N 2.95Å; S153-S157 PolarHBondContact O-OG 2.84Å
154	W	94.4	Very high	93.5	Very high	7 Å²	7	54.9 Å²	54.9	3%	0.027	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-30.4	175.4	69.7	-102.4	0	0	0	112.9	Y115 Y137 I140 M141 Y147 T150 S152 N156 S157 V158	Y115-W154 HydrophobicContact CE1-CB 4.12Å; Y137-W154 HydrophobicContact CD1-CH2 4.14Å; Y137-W154 AromaticContact CD1-CZ3 3.89Å; Y137-W154 HydrophobicContact CD1-CZ3 3.89Å; Y137-W154 HydrophobicContact CG-CH2 4.44Å; I140-W154 HydrophobicContact CB-CH2 4.34Å; I140-W154 HydrophobicContact CB-CZ3 4.22Å; I140-W154 HydrophobicContact CD1-CZ3 4.13Å; I140-W154 HydrophobicContact CG2-CE3 4.43Å; I140-W154 HydrophobicContact CG2-CH2 4.14Å; I140-W154 HydrophobicContact CG2-CZ3 3.92Å; M141-W154 HydrophobicContact CG-CH2 3.86Å; M141-W154 HydrophobicContact CG-CZ2 3.59Å; M141-W154 HydrophobicContact SD-CH2 4.42Å; M141-W154 HydrophobicContact SD-CZ2 3.97Å; Y147-W154 HydrophobicContact CD1-CB 3.92Å; Y147-W154 AromaticContact CD1-CD1 3.78Å; Y147-W154 AromaticContact CD1-CD2 3.88Å; Y147-W154 HydrophobicContact CD1-CD2 3.88Å; Y147-W154 HydrophobicContact CD1-CE3 4.47Å; Y147-W154 AromaticContact CD1-CG 3.61Å; Y147-W154 HydrophobicContact CD1-CG 3.61Å; Y147-W154 HydrophobicContact CE1-CB 3.99Å; Y147-W154 HydrophobicContact CE1-CG 4.19Å; Y147-W154 HydrophobicContact CG-CD2 4.37Å; Y147-W154 PolarHBondContact O-NE1 3.23Å; T150-W154 VanDerWaalsContact OG1-CD1 3.32Å; S152-W154 PolarHBondContact O-N 3.14Å; W154-N156 VanDerWaalsContact C-N 3.28Å; W154-N156 PolarHBondContact O-N 2.82Å; W154-S157 WeakPolarHBondContact O-CB 3.16Å; W154-S157 PolarHBondContact O-N 3.21Å; W154-S157 VanDerWaalsContact O-N 3.15Å; W154-V158 HydrophobicContact CE3-CG2 3.92Å; W154-V158 HydrophobicContact CZ3-CG2 4.16Å; W154-V158 WeakPolarHBondContact O-CG2 3.33Å; W154-V158 PolarHBondContact O-N 2.83Å
155	Q	96.1	Very high	93.5	Very high	48 Å²	48	56.2 Å²	56.2	22%	0.224	30%	0.296	C	S	.	.	H	α-helix	trans	-66.9	-33.3	176.1	-58.8	-178.1	5.8	0	0	111.1	Y137 S152 S153 S157 V158 R159	Y137-Q155 HydrophobicContact CD1-CB 4.35Å; Y137-Q155 HydrophobicContact CD1-CG 4.15Å; Y137-Q155 HydrophobicContact CE1-CB 3.67Å; Y137-Q155 HydrophobicContact CE1-CG 3.97Å; S152-Q155 VanDerWaalsContact O-CB 3.23Å; S152-Q155 WeakPolarHBondContact O-CB 3.35Å; S152-Q155 PolarHBondContact O-N 3.34Å; S153-Q155 PolarHBondContact O-N 3.33Å; Q155-S157 VanDerWaalsContact C-N 3.34Å; Q155-V158 PolarHBondContact O-N 3.46Å; Q155-R159 WeakPolarHBondContact O-CG 3.09Å; Q155-R159 PolarHBondContact O-N 3.36Å; Q155-R159 PolarHBondContact O-NH1 3.36Å
156	N	96	Very high	93.5	Very high	96 Å²	96	64.4 Å²	64.4	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-66.7	-40	172.5	-159.2	49.5	0	0	0	111	S153 W154 V158 R159 H160	S153-N156 WeakPolarHBondContact O-CB 3.37Å; S153-N156 PolarHBondContact O-N 2.68Å; W154-N156 VanDerWaalsContact C-N 3.28Å; W154-N156 PolarHBondContact O-N 2.82Å; N156-V158 VanDerWaalsContact C-N 3.31Å; N156-V158 PolarHBondContact O-N 3.24Å; N156-R159 PolarHBondContact O-N 3.06Å; N156-R159 PolarHBondContact OD1-NH2 3.44Å; N156-H160 WeakPolarHBondContact O-CB 3.47Å; N156-H160 PolarHBondContact O-N 2.98Å
157	S	96.1	Very high	93.4	Very high	34 Å²	34	61.9 Å²	61.9	24%	0.238	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-38.1	173.5	-40	0	0	0	0	112.6	S153 W154 Q155 N161	S153-S157 PolarHBondContact O-N 2.95Å; S153-S157 PolarHBondContact O-OG 2.84Å; W154-S157 WeakPolarHBondContact O-CB 3.16Å; W154-S157 PolarHBondContact O-N 3.21Å; W154-S157 VanDerWaalsContact O-N 3.15Å; Q155-S157 VanDerWaalsContact C-N 3.34Å; S157-N161 WeakPolarHBondContact O-CB 3.4Å; S157-N161 PolarHBondContact O-N 2.7Å; S157-N161 PolarHBondContact O-ND2 3.06Å
158	V	96.4	Very high	93.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.8	-48.4	174	168.2	0	0	0	0	111.4	Y115 I119 L133 I136 Y137 I140 W154 Q155 N156 H160 N161 L162	Y115-V158 HydrophobicContact CD1-CG2 3.95Å; Y115-V158 HydrophobicContact CG-CG2 4.36Å; I119-V158 HydrophobicContact CD1-CG1 4.22Å; I119-V158 HydrophobicContact CG1-CG1 4.13Å; L133-V158 HydrophobicContact CD1-CG1 4.4Å; I136-V158 HydrophobicContact CG2-CG1 4.01Å; Y137-V158 HydrophobicContact CD1-CG1 4.31Å; Y137-V158 HydrophobicContact CE1-CB 4.25Å; Y137-V158 HydrophobicContact CE1-CG1 3.99Å; I140-V158 HydrophobicContact CD1-CG2 3.94Å; W154-V158 HydrophobicContact CE3-CG2 3.92Å; W154-V158 HydrophobicContact CZ3-CG2 4.16Å; W154-V158 WeakPolarHBondContact O-CG2 3.33Å; W154-V158 PolarHBondContact O-N 2.83Å; Q155-V158 PolarHBondContact O-N 3.46Å; N156-V158 VanDerWaalsContact C-N 3.31Å; N156-V158 PolarHBondContact O-N 3.24Å; V158-H160 VanDerWaalsContact C-N 3.35Å; V158-H160 PolarHBondContact O-N 2.84Å; V158-N161 PolarHBondContact O-N 2.85Å; V158-N161 VanDerWaalsContact O-N 3.14Å; V158-L162 HydrophobicContact CG1-CD1 4.22Å; V158-L162 WeakPolarHBondContact O-CG 3.5Å; V158-L162 PolarHBondContact O-N 3.04Å
159	R	97.2	Very high	93.5	Very high	99 Å²	99	59.6 Å²	59.6	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-57.9	-45.8	175.8	-69.8	-175.4	-59.1	-96.3	14.1	112.3	L133 Y137 Q155 N156 N161 L162 S163	L133-R159 HydrophobicContact CD1-CG 4.21Å; L133-R159 HydrophobicContact CD2-CG 4.01Å; Y137-R159 WeakPolarHBondContact OH-CD 3.11Å; Y137-R159 WeakPolarHBondContact OH-CG 3.48Å; Y137-R159 PolarHBondContact OH-NH1 3.06Å; Q155-R159 WeakPolarHBondContact O-CG 3.09Å; Q155-R159 PolarHBondContact O-N 3.36Å; Q155-R159 PolarHBondContact O-NH1 3.36Å; N156-R159 PolarHBondContact O-N 3.06Å; N156-R159 PolarHBondContact OD1-NH2 3.44Å; R159-N161 VanDerWaalsContact C-N 3.34Å; R159-N161 PolarHBondContact O-N 2.96Å; R159-L162 PolarHBondContact O-N 3.23Å; R159-S163 PolarHBondContact O-N 3.37Å; R159-S163 PolarHBondContact O-OG 3.38Å
160	H	95.8	Very high	93.8	Very high	74 Å²	74	61.2 Å²	61.2	34%	0.343	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-39.1	175.3	170.2	72.2	0	0	0	112.3	N156 V158 L162 S163 L164	N156-H160 WeakPolarHBondContact O-CB 3.47Å; N156-H160 PolarHBondContact O-N 2.98Å; V158-H160 VanDerWaalsContact C-N 3.35Å; V158-H160 PolarHBondContact O-N 2.84Å; H160-L162 VanDerWaalsContact C-N 3.35Å; H160-L162 PolarHBondContact O-N 3.33Å; H160-S163 PolarHBondContact O-N 2.85Å; H160-S163 PolarHBondContact O-OG 3.4Å; H160-L164 WeakPolarHBondContact NE2-CD1 3.47Å; H160-L164 WeakPolarHBondContact O-CB 3.32Å; H160-L164 PolarHBondContact O-N 3.46Å
161	N	96.5	Very high	94	Very high	2 Å²	2	61 Å²	61	1%	0.011	32%	0.32	C	S	.	.	H	α-helix	trans	-70.4	-29.8	176.9	-87.2	-104.5	0	0	0	113.1	I119 S157 V158 R159 N165	I119-N161 HydrophobicContact CD1-CB 3.92Å; S157-N161 WeakPolarHBondContact O-CB 3.4Å; S157-N161 PolarHBondContact O-N 2.7Å; S157-N161 PolarHBondContact O-ND2 3.06Å; V158-N161 PolarHBondContact O-N 2.85Å; V158-N161 VanDerWaalsContact O-N 3.14Å; R159-N161 VanDerWaalsContact C-N 3.34Å; R159-N161 PolarHBondContact O-N 2.96Å; N161-N165 WeakPolarHBondContact O-CB 3.48Å; N161-N165 PolarHBondContact O-N 2.8Å; N161-N165 PolarHBondContact O-ND2 2.86Å; N161-N165 PolarHBondContact OD1-ND2 3.25Å
162	L	95.6	Very high	94.1	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-67.8	-35.4	174.3	-75	166.9	0	0	0	112.7	I119 M123 L133 I136 V158 R159 H160 F168 W184	I119-L162 HydrophobicContact CD1-CD2 3.89Å; I119-L162 HydrophobicContact CD1-CG 3.77Å; I119-L162 HydrophobicContact CG1-CD2 4.25Å; I119-L162 HydrophobicContact CG1-CG 4.41Å; I119-L162 HydrophobicContact CG2-CD2 3.7Å; M123-L162 HydrophobicContact CE-CD2 4.22Å; L133-L162 HydrophobicContact CD1-CD1 3.56Å; I136-L162 HydrophobicContact CD1-CD1 4.1Å; I136-L162 HydrophobicContact CD1-CD2 4.11Å; V158-L162 HydrophobicContact CG1-CD1 4.22Å; V158-L162 WeakPolarHBondContact O-CG 3.5Å; V158-L162 PolarHBondContact O-N 3.04Å; R159-L162 PolarHBondContact O-N 3.23Å; H160-L162 VanDerWaalsContact C-N 3.35Å; H160-L162 PolarHBondContact O-N 3.33Å; L162-F168 HydrophobicContact CD2-CB 4.1Å; L162-F168 HydrophobicContact CD2-CD2 4.2Å; L162-F168 HydrophobicContact CD2-CG 4.04Å; L162-W184 HydrophobicContact CB-CD2 4.14Å; L162-W184 HydrophobicContact CB-CE3 3.96Å; L162-W184 HydrophobicContact CB-CH2 3.82Å; L162-W184 HydrophobicContact CB-CZ2 4.01Å; L162-W184 HydrophobicContact CB-CZ3 3.79Å; L162-W184 HydrophobicContact CD1-CD2 4.18Å; L162-W184 HydrophobicContact CD1-CG 4.32Å; L162-W184 HydrophobicContact CD1-CZ2 4.47Å; L162-W184 HydrophobicContact CD2-CB 4.25Å; L162-W184 HydrophobicContact CD2-CD2 3.92Å; L162-W184 HydrophobicContact CD2-CE3 3.98Å; L162-W184 HydrophobicContact CD2-CG 4.04Å; L162-W184 HydrophobicContact CG-CD2 4.31Å; L162-W184 HydrophobicContact CG-CE3 4.46Å; L162-W184 VanDerWaalsContact O-CZ3 3.23Å; L162-W184 WeakPolarHBondContact O-CZ3 3.18Å
163	S	93.9	Very high	94	Very high	90 Å²	90	58.8 Å²	58.8	63%	0.629	30%	0.303	S	S	*	.	H	α-helix	trans	-87.7	-30.9	176.3	56.2	0	0	0	0	114.4	R159 H160	R159-S163 PolarHBondContact O-N 3.37Å; R159-S163 PolarHBondContact O-OG 3.38Å; H160-S163 PolarHBondContact O-N 2.85Å; H160-S163 PolarHBondContact O-OG 3.4Å
164	L	92.9	Very high	93.8	Very high	81 Å²	81	59.8 Å²	59.8	42%	0.424	30%	0.302	S	S	.	.	H	α-helix	trans	-75.3	-40.9	-178.7	179.4	150	0	0	0	113.1	H160 K166	H160-L164 WeakPolarHBondContact NE2-CD1 3.47Å; H160-L164 WeakPolarHBondContact O-CB 3.32Å; H160-L164 PolarHBondContact O-N 3.46Å; L164-K166 PolarHBondContact O-N 3.5Å
165	N	92.6	Very high	93.3	Very high	29 Å²	29	69.4 Å²	69.4	16%	0.155	34%	0.344	C	S	.	.			trans	-89.1	114.4	-172.9	-65.5	-82.8	0	0	0	110.8	N161 C167 F168	N161-N165 WeakPolarHBondContact O-CB 3.48Å; N161-N165 PolarHBondContact O-N 2.8Å; N161-N165 PolarHBondContact O-ND2 2.86Å; N161-N165 PolarHBondContact OD1-ND2 3.25Å; N165-C167 PolarHBondContact O-N 2.94Å; N165-F168 HydrophobicContact CB-CD2 3.88Å; N165-F168 HydrophobicContact CB-CE2 3.96Å; N165-F168 PolarHBondContact O-N 3.36Å
166	K	91.7	Very high	92.5	Very high	172 Å²	172	70.4 Å²	70.4	75%	0.748	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-9.1	173.8	-59.5	-174.1	179.8	-174.9	0	115.1	L164 F168 H190	L164-K166 PolarHBondContact O-N 3.5Å; K166-F168 VanDerWaalsContact C-N 3.27Å; K166-H190 PolarHBondContact O-CD2 3.13Å
167	C	91.3	Very high	91.9	Very high	8 Å²	8	69.2 Å²	69.2	5%	0.054	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.5	173.3	-55.6	0	0	0	0	113.1	N165 V186 N187 H190 W193 L194	N165-C167 PolarHBondContact O-N 2.94Å; C167-V186 CarbonylContact O-C 3.42Å; C167-V186 WeakPolarHBondContact O-CA 3.48Å; C167-N187 PolarHBondContact O-N 3.23Å; C167-H190 HydrophobicContact CB-CB 4.09Å; C167-W193 WeakPolarHBondContact SG-CZ3 3.19Å; C167-L194 HydrophobicContact CB-CD1 4.05Å
168	F	94	Very high	91.2	Very high	13 Å²	13	76.1 Å²	76.1	6%	0.057	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.1	177.1	-48.5	-58.7	0	0	0	109.5	A116 I119 M123 L162 N165 K166 W184 R185 L194	A116-F168 HydrophobicContact CB-CE2 4.24Å; A116-F168 HydrophobicContact CB-CZ 4.43Å; I119-F168 HydrophobicContact CB-CE1 4.13Å; I119-F168 HydrophobicContact CB-CE2 4.26Å; I119-F168 HydrophobicContact CB-CZ 3.8Å; I119-F168 HydrophobicContact CD1-CD2 4.47Å; I119-F168 HydrophobicContact CD1-CE2 4Å; I119-F168 HydrophobicContact CD1-CZ 4.4Å; I119-F168 HydrophobicContact CG2-CD1 3.79Å; I119-F168 HydrophobicContact CG2-CD2 4.39Å; I119-F168 HydrophobicContact CG2-CE1 3.41Å; I119-F168 VanDerWaalsContact CG2-CE1 3.41Å; I119-F168 HydrophobicContact CG2-CE2 4.06Å; I119-F168 HydrophobicContact CG2-CG 4.27Å; I119-F168 HydrophobicContact CG2-CZ 3.56Å; M123-F168 HydrophobicContact CE-CD1 4.01Å; M123-F168 HydrophobicContact SD-CD1 3.86Å; M123-F168 HydrophobicContact SD-CE1 4.07Å; L162-F168 HydrophobicContact CD2-CB 4.1Å; L162-F168 HydrophobicContact CD2-CD2 4.2Å; L162-F168 HydrophobicContact CD2-CG 4.04Å; N165-F168 HydrophobicContact CB-CD2 3.88Å; N165-F168 HydrophobicContact CB-CE2 3.96Å; N165-F168 PolarHBondContact O-N 3.36Å; K166-F168 VanDerWaalsContact C-N 3.27Å; F168-W184 HydrophobicContact CB-CE3 4.41Å; F168-R185 WeakPolarHBondContact CA-O 3.19Å; F168-L194 HydrophobicContact CE1-CD1 4.07Å
169	E	94	Very high	90.5	Very high	54 Å²	54	78.6 Å²	78.6	25%	0.252	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.9	175.6	64	-170	-152.8	0	0	110.2	V171 W184 R185 N187	E169-V171 PolarHBondContact O-N 3.35Å; E169-W184 WeakPolarHBondContact O-CA 3.45Å; E169-R185 HydrophobicContact CG-CG 3.4Å; E169-R185 PolarHBondContact N-O 3.43Å; E169-R185 PolarHBondContact O-N 2.88Å; E169-R185 VanDerWaalsContact O-N 3.1Å; E169-R185 VanDerWaalsContact OE1-CD 3.23Å; E169-R185 WeakPolarHBondContact OE1-CD 3.48Å; E169-R185 WeakPolarHBondContact OE1-CG 3.34Å; E169-R185 IonicContact OE1-CZ 2.64Å; E169-R185 IonicContact OE1-NE 3.59Å; E169-R185 IonicContact OE1-NH1 2.73Å; E169-R185 PolarHBondContact OE1-NH1 2.87Å; E169-N187 WeakPolarHBondContact OE2-CB 3.35Å; E169-N187 PolarHBondContact OE2-ND2 3.47Å
170	K	95.1	Very high	89.8	Confident	146 Å²	146	83.8 Å²	83.8	64%	0.635	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	115.8	172.9	-178.3	-167.7	172.8	-165.9	0	108	F183 W184	K170-F183 CarbonylContact C-O 3.56Å; K170-F183 WeakPolarHBondContact CA-O 3.44Å; K170-W184 HydrophobicContact CB-CE3 4.08Å; K170-W184 HydrophobicContact CB-CH2 3.98Å; K170-W184 HydrophobicContact CB-CZ2 4.4Å; K170-W184 HydrophobicContact CB-CZ3 3.79Å; K170-W184 HydrophobicContact CG-CZ2 4.48Å
171	V	92.6	Very high	89.4	Confident	36 Å²	36	82.8 Å²	82.8	22%	0.218	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.8	172.8	-157.1	0	0	0	0	108.1	E169 F183 R185	E169-V171 PolarHBondContact O-N 3.35Å; V171-F183 HydrophobicContact CB-CB 4.22Å; V171-F183 HydrophobicContact CG2-CB 4.46Å; V171-F183 PolarHBondContact N-O 3.2Å; V171-F183 PolarHBondContact O-N 2.89Å; V171-F183 VanDerWaalsContact O-N 3.11Å; V171-R185 HydrophobicContact CG2-CB 4.32Å; V171-R185 VanDerWaalsContact CG2-CD 3.42Å; V171-R185 HydrophobicContact CG2-CG 3.68Å
172	P	90.9	Very high	89.1	Confident	101 Å²	101	83.6 Å²	83.6	66%	0.656	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-53.5	160.4	161.9	-23.5	34.9	0	0	0	111.5
173	R	89.3	Confident	89.1	Confident	65 Å²	65	84.6 Å²	84.6	25%	0.245	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-82.8	146	163.8	-62	-154.1	174	-130	-0.4	109.2	E177 R178 G179 K180 G181 F183	R173-E177 HydrophobicContact CB-CB 4.47Å; R173-E177 WeakPolarHBondContact CD-O 3.38Å; R173-E177 PolarHBondContact NH1-O 2.81Å; R173-R178 PolarHBondContact NH1-O 2.84Å; R173-G179 WeakPolarHBondContact CD-O 3.28Å; R173-G179 VanDerWaalsContact CZ-C 3.49Å; R173-G179 VanDerWaalsContact CZ-O 3.31Å; R173-G179 PolarHBondContact NE-O 3.44Å; R173-K180 PolarHBondContact NH2-O 2.81Å; R173-K180 VanDerWaalsContact NH2-O 3.08Å; R173-G181 PolarHBondContact NE-O 2.79Å; R173-G181 PolarHBondContact NH2-O 2.99Å; R173-F183 HydrophobicContact CG-CD2 4.02Å; R173-F183 HydrophobicContact CG-CE2 3.84Å
174	D	87.5	Confident	89.1	Confident	99 Å²	99	82.3 Å²	82.3	53%	0.529	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-67.2	144.1	166.2	-58.2	-71.7	0	0	0	108.6	K130 G176 E177	K130-D174 IonicContact NZ-OD2 3.47Å; K130-D174 PolarHBondContact NZ-OD2 3.43Å; D174-G176 PolarHBondContact O-N 3.39Å; D174-E177 HydrophobicContact CB-CG 4.24Å; D174-E177 PolarHBondContact O-N 3.01Å
175	K	83.2	Confident	89.2	Confident	208 Å²	208	83 Å²	83	90%	0.904	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	0.4	-172	-68.4	-163.2	176.4	-165.2	0	115.4
176	G	80.6	Confident	89.1	Confident	70 Å²	70	83.1 Å²	83.1	72%	0.722	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-5.8	171.1	0	0	0	0	0	115.7	D174 R178	D174-G176 PolarHBondContact O-N 3.39Å; G176-R178 PolarHBondContact O-N 3.35Å
177	E	82.5	Confident	89.1	Confident	70 Å²	70	76.5 Å²	76.5	33%	0.327	40%	0.402	S	S	.	.			trans	-90.4	80.5	-175.3	-74.4	-172.3	152.4	0	0	112.8	K130 R173 D174 G179 F183	K130-E177 WeakPolarHBondContact CE-OE1 3.25Å; K130-E177 IonicContact NZ-OE1 2.75Å; K130-E177 PolarHBondContact NZ-OE1 3.34Å; K130-E177 IonicContact NZ-OE2 3.34Å; K130-E177 PolarHBondContact NZ-OE2 3.4Å; R173-E177 HydrophobicContact CB-CB 4.47Å; R173-E177 WeakPolarHBondContact CD-O 3.38Å; R173-E177 PolarHBondContact NH1-O 2.81Å; D174-E177 HydrophobicContact CB-CG 4.24Å; D174-E177 PolarHBondContact O-N 3.01Å; E177-G179 PolarHBondContact O-N 3.47Å; E177-F183 WeakPolarHBondContact OE2-CE2 3.38Å
178	R	82	Confident	88.9	Confident	180 Å²	180	79.6 Å²	79.6	68%	0.679	42%	0.422	S	S	*	.			trans	-47.2	127.8	176.4	-66.5	-175.8	174.6	-156.1	-5	112.6	R173 G176 D916	R173-R178 PolarHBondContact NH1-O 2.84Å; G176-R178 PolarHBondContact O-N 3.35Å; R178-D916 IonicContact CZ-OD1 3.7Å; R178-D916 IonicContact CZ-OD2 3.55Å; R178-D916 IonicContact NH1-OD1 2.82Å; R178-D916 PolarHBondContact NH1-OD1 3.46Å; R178-D916 IonicContact NH1-OD2 2.64Å; R178-D916 PolarHBondContact NH1-OD2 3.29Å; R178-D916 IonicContact NH2-OD1 2.7Å; R178-D916 IonicContact NH2-OD2 3.33Å; R178-D916 PolarHBondContact NH2-OD2 2.86Å
179	G	82.1	Confident	88.5	Confident	51 Å²	51	89.5 Å²	89.5	53%	0.526	46%	0.459	S	S	.	.	S	Bend	trans	153.5	156	168.7	0	0	0	0	0	115.4	R173 E177	R173-G179 WeakPolarHBondContact CD-O 3.28Å; R173-G179 VanDerWaalsContact CZ-C 3.49Å; R173-G179 VanDerWaalsContact CZ-O 3.31Å; R173-G179 PolarHBondContact NE-O 3.44Å; E177-G179 PolarHBondContact O-N 3.47Å
180	K	81.5	Confident	88.1	Confident	209 Å²	209	89.9 Å²	89.9	91%	0.909	46%	0.46	S	S	*	.	S	Bend	trans	-71.6	137	-174.9	-169.6	167.6	-175.7	167.6	0	112.9	R173	R173-K180 PolarHBondContact NH2-O 2.81Å; R173-K180 VanDerWaalsContact NH2-O 3.08Å
181	G	87.4	Confident	87.5	Confident	53 Å²	53	85.9 Å²	85.9	55%	0.546	45%	0.446	S	S	.	.	S	Bend	trans	70.5	170.1	173.8	0	0	0	0	0	114.6	R173	R173-G181 PolarHBondContact NE-O 2.79Å; R173-G181 PolarHBondContact NH2-O 2.99Å
182	G	91.1	Very high	86.9	Confident	18 Å²	18	90.2 Å²	90.2	19%	0.186	47%	0.468	C	S	.	.			trans	-78.4	167.2	175.3	0	0	0	0	0	113.3
183	F	94.2	Very high	86.4	Confident	24 Å²	24	91.2 Å²	91.2	11%	0.105	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	164.4	165.3	-62.7	-95.6	0	0	0	110.7	K130 V131 T132 K170 V171 R173 E177	K130-F183 HydrophobicContact CB-CB 3.84Å; K130-F183 HydrophobicContact CB-CD1 4.14Å; K130-F183 HydrophobicContact CB-CG 4.13Å; K130-F183 HydrophobicContact CD-CB 4.24Å; K130-F183 HydrophobicContact CD-CD1 4.1Å; K130-F183 HydrophobicContact CD-CD2 3.93Å; K130-F183 HydrophobicContact CD-CE1 4.41Å; K130-F183 HydrophobicContact CD-CE2 4.27Å; K130-F183 HydrophobicContact CD-CG 3.85Å; K130-F183 HydrophobicContact CD-CZ 4.48Å; K130-F183 HydrophobicContact CG-CB 4.24Å; K130-F183 HydrophobicContact CG-CD1 3.81Å; K130-F183 HydrophobicContact CG-CE1 4.24Å; K130-F183 HydrophobicContact CG-CG 3.98Å; V131-F183 CarbonylContact O-C 3.55Å; V131-F183 WeakPolarHBondContact O-CA 3.28Å; T132-F183 HydrophobicContact CG2-CD1 3.95Å; T132-F183 HydrophobicContact CG2-CE1 3.87Å; K170-F183 CarbonylContact C-O 3.56Å; K170-F183 WeakPolarHBondContact CA-O 3.44Å; V171-F183 HydrophobicContact CB-CB 4.22Å; V171-F183 HydrophobicContact CG2-CB 4.46Å; V171-F183 PolarHBondContact N-O 3.2Å; V171-F183 PolarHBondContact O-N 2.89Å; V171-F183 VanDerWaalsContact O-N 3.11Å; R173-F183 HydrophobicContact CG-CD2 4.02Å; R173-F183 HydrophobicContact CG-CE2 3.84Å; E177-F183 WeakPolarHBondContact OE2-CE2 3.38Å
184	W	95.4	Very high	85.8	Confident	42 Å²	42	88.9 Å²	88.9	16%	0.159	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.7	172.5	-62.9	90.9	0	0	0	109.4	M123 V131 L162 F168 E169 K170	M123-W184 HydrophobicContact CE-CB 3.6Å; V131-W184 HydrophobicContact CG2-CB 4.48Å; V131-W184 WeakPolarHBondContact CG2-O 3.46Å; V131-W184 PolarHBondContact N-O 3.03Å; V131-W184 PolarHBondContact O-N 2.91Å; L162-W184 HydrophobicContact CB-CD2 4.14Å; L162-W184 HydrophobicContact CB-CE3 3.96Å; L162-W184 HydrophobicContact CB-CH2 3.82Å; L162-W184 HydrophobicContact CB-CZ2 4.01Å; L162-W184 HydrophobicContact CB-CZ3 3.79Å; L162-W184 HydrophobicContact CD1-CD2 4.18Å; L162-W184 HydrophobicContact CD1-CG 4.32Å; L162-W184 HydrophobicContact CD1-CZ2 4.47Å; L162-W184 HydrophobicContact CD2-CB 4.25Å; L162-W184 HydrophobicContact CD2-CD2 3.92Å; L162-W184 HydrophobicContact CD2-CE3 3.98Å; L162-W184 HydrophobicContact CD2-CG 4.04Å; L162-W184 HydrophobicContact CG-CD2 4.31Å; L162-W184 HydrophobicContact CG-CE3 4.46Å; L162-W184 VanDerWaalsContact O-CZ3 3.23Å; L162-W184 WeakPolarHBondContact O-CZ3 3.18Å; F168-W184 HydrophobicContact CB-CE3 4.41Å; E169-W184 WeakPolarHBondContact O-CA 3.45Å; K170-W184 HydrophobicContact CB-CE3 4.08Å; K170-W184 HydrophobicContact CB-CH2 3.98Å; K170-W184 HydrophobicContact CB-CZ2 4.4Å; K170-W184 HydrophobicContact CB-CZ3 3.79Å; K170-W184 HydrophobicContact CG-CZ2 4.48Å
185	R	93.6	Very high	85.3	Confident	94 Å²	94	89.6 Å²	89.6	36%	0.355	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	164.7	171.1	66.9	-167.7	-70	-118.6	14.2	110.7	P129 F168 E169 V171	P129-R185 VanDerWaalsContact O-CB 3.23Å; P129-R185 WeakPolarHBondContact O-CB 3.49Å; F168-R185 WeakPolarHBondContact CA-O 3.19Å; E169-R185 HydrophobicContact CG-CG 3.4Å; E169-R185 PolarHBondContact N-O 3.43Å; E169-R185 PolarHBondContact O-N 2.88Å; E169-R185 VanDerWaalsContact O-N 3.1Å; E169-R185 VanDerWaalsContact OE1-CD 3.23Å; E169-R185 WeakPolarHBondContact OE1-CD 3.48Å; E169-R185 WeakPolarHBondContact OE1-CG 3.34Å; E169-R185 IonicContact OE1-CZ 2.64Å; E169-R185 IonicContact OE1-NE 3.59Å; E169-R185 IonicContact OE1-NH1 2.73Å; E169-R185 PolarHBondContact OE1-NH1 2.87Å; V171-R185 HydrophobicContact CG2-CB 4.32Å; V171-R185 VanDerWaalsContact CG2-CD 3.42Å; V171-R185 HydrophobicContact CG2-CG 3.68Å
186	V	92	Very high	85	Confident	32 Å²	32	81.8 Å²	81.8	19%	0.194	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.6	169.5	-177.5	0	0	0	0	108.9	M123 C167 I191 L194	M123-V186 HydrophobicContact CB-CG2 4.32Å; M123-V186 HydrophobicContact SD-CG2 3.53Å; M123-V186 VanDerWaalsContact SD-CG2 3.53Å; C167-V186 CarbonylContact O-C 3.42Å; C167-V186 WeakPolarHBondContact O-CA 3.48Å; V186-I191 HydrophobicContact CB-CG1 4.5Å; V186-I191 HydrophobicContact CG1-CG1 3.63Å; V186-L194 HydrophobicContact CG1-CD1 3.68Å; V186-L194 HydrophobicContact CG2-CD1 4.1Å
187	N	90.8	Very high	84.5	Confident	33 Å²	33	79.5 Å²	79.5	18%	0.176	40%	0.396	C	S	.	.			trans	-68.7	126.5	172.5	-179.5	-74	0	0	0	109.4	C167 E169 R189 H190 I191	C167-N187 PolarHBondContact O-N 3.23Å; E169-N187 WeakPolarHBondContact OE2-CB 3.35Å; E169-N187 PolarHBondContact OE2-ND2 3.47Å; N187-R189 PolarHBondContact O-N 2.64Å; N187-R189 VanDerWaalsContact O-N 3.15Å; N187-R189 VanDerWaalsContact OD1-CB 3.28Å; N187-R189 WeakPolarHBondContact OD1-CB 3.19Å; N187-R189 PolarHBondContact OD1-N 3.43Å; N187-H190 PolarHBondContact O-N 3.11Å; N187-I191 PolarHBondContact O-N 2.9Å
188	P	87.1	Confident	84.1	Confident	74 Å²	74	77 Å²	77	48%	0.481	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-61.7	-28.2	-172.9	22.4	-33.2	0	0	0	114	H190 I191	P188-H190 PolarHBondContact O-N 2.81Å; P188-I191 HydrophobicContact CB-CD1 4.37Å; P188-I191 PolarHBondContact O-N 2.89Å
189	R	86.4	Confident	83.5	Confident	221 Å²	221	69.4 Å²	69.4	83%	0.834	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-72.5	-8	177.8	-53.1	177.9	178.9	173.8	-0.1	113.4	N187	N187-R189 PolarHBondContact O-N 2.64Å; N187-R189 VanDerWaalsContact O-N 3.15Å; N187-R189 VanDerWaalsContact OD1-CB 3.28Å; N187-R189 WeakPolarHBondContact OD1-CB 3.19Å; N187-R189 PolarHBondContact OD1-N 3.43Å
190	H	84.2	Confident	82.5	Confident	61 Å²	61	71.1 Å²	71.1	28%	0.282	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-119.7	1.1	-177.3	-72.5	-57.6	0	0	0	113.3	K166 C167 N187 P188 W193 L194	K166-H190 PolarHBondContact O-CD2 3.13Å; C167-H190 HydrophobicContact CB-CB 4.09Å; N187-H190 PolarHBondContact O-N 3.11Å; P188-H190 PolarHBondContact O-N 2.81Å; H190-W193 PolarHBondContact O-N 3.41Å; H190-L194 WeakPolarHBondContact O-CB 3.49Å; H190-L194 PolarHBondContact O-N 3.38Å
191	I	83.1	Confident	81.3	Confident	63 Å²	63	61.5 Å²	61.5	32%	0.323	31%	0.313	S	S	.	.	H	α-helix	trans	-56.2	-52.3	174.1	-67.5	173.5	0	0	0	109.8	V186 N187 P188 W193 L194 E195	V186-I191 HydrophobicContact CB-CG1 4.5Å; V186-I191 HydrophobicContact CG1-CG1 3.63Å; N187-I191 PolarHBondContact O-N 2.9Å; P188-I191 HydrophobicContact CB-CD1 4.37Å; P188-I191 PolarHBondContact O-N 2.89Å; I191-W193 VanDerWaalsContact C-N 3.28Å; I191-W193 PolarHBondContact O-N 2.98Å; I191-L194 CarbonylContact O-C 3.58Å; I191-L194 WeakPolarHBondContact O-CA 3.34Å; I191-L194 WeakPolarHBondContact O-CB 3.48Å; I191-L194 PolarHBondContact O-N 3.1Å; I191-E195 HydrophobicContact CG2-CG 4.08Å; I191-E195 PolarHBondContact O-N 3.44Å
192	D	81	Confident	79.5	Confident	127 Å²	127	64.1 Å²	64.1	68%	0.679	31%	0.306	S	S	*	.	H	α-helix	trans	-55.4	-41.7	179.2	-48.4	-1.6	0	0	0	112.6	A196	D192-A196 WeakPolarHBondContact O-CB 3.34Å; D192-A196 PolarHBondContact O-N 3.5Å
193	W	79.5	Confident	77.3	Confident	122 Å²	122	72.5 Å²	72.5	46%	0.462	33%	0.332	S	S	.	.	H	α-helix	trans	-67.6	-39.2	176.7	178.7	100	0	0	0	111.1	C167 H190 I191 A196 N197	C167-W193 WeakPolarHBondContact SG-CZ3 3.19Å; H190-W193 PolarHBondContact O-N 3.41Å; I191-W193 VanDerWaalsContact C-N 3.28Å; I191-W193 PolarHBondContact O-N 2.98Å; W193-A196 CarbonylContact O-C 3.56Å; W193-A196 PolarHBondContact O-N 2.87Å; W193-N197 HydrophobicContact CE3-CB 4.41Å; W193-N197 HydrophobicContact CH2-CB 4.44Å; W193-N197 VanDerWaalsContact CZ2-ND2 3.33Å; W193-N197 WeakPolarHBondContact CZ2-ND2 3.42Å; W193-N197 HydrophobicContact CZ3-CB 4.22Å; W193-N197 PolarHBondContact NE1-ND2 2.78Å; W193-N197 WeakPolarHBondContact O-CB 3.4Å; W193-N197 PolarHBondContact O-N 2.79Å; W193-N197 PolarHBondContact O-ND2 2.83Å
194	L	76.9	Confident	75	Confident	16 Å²	16	75 Å²	75	8%	0.084	35%	0.353	C	S	.	.	H	α-helix	trans	-73.7	-42.2	-175.8	175.4	154.2	0	0	0	111.1	C120 C167 F168 V186 H190 I191 N197 L198	C120-L194 HydrophobicContact CB-CD1 4.34Å; C120-L194 HydrophobicContact CB-CD2 3.91Å; C120-L194 HydrophobicContact CB-CG 4.22Å; C120-L194 WeakPolarHBondContact SG-CD1 3.31Å; C120-L194 WeakPolarHBondContact SG-CG 3.33Å; C167-L194 HydrophobicContact CB-CD1 4.05Å; F168-L194 HydrophobicContact CE1-CD1 4.07Å; V186-L194 HydrophobicContact CG1-CD1 3.68Å; V186-L194 HydrophobicContact CG2-CD1 4.1Å; H190-L194 WeakPolarHBondContact O-CB 3.49Å; H190-L194 PolarHBondContact O-N 3.38Å; I191-L194 CarbonylContact O-C 3.58Å; I191-L194 WeakPolarHBondContact O-CA 3.34Å; I191-L194 WeakPolarHBondContact O-CB 3.48Å; I191-L194 PolarHBondContact O-N 3.1Å; L194-N197 PolarHBondContact O-N 3.19Å; L194-L198 WeakPolarHBondContact O-CB 3.39Å; L194-L198 PolarHBondContact O-N 3.21Å
195	E	76.9	Confident	73	Confident	113 Å²	113	77.2 Å²	77.2	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-40.3	168.9	-68.3	-171.1	175.5	0	0	111.3	I191 N197 L198 A199	I191-E195 HydrophobicContact CG2-CG 4.08Å; I191-E195 PolarHBondContact O-N 3.44Å; E195-N197 VanDerWaalsContact C-N 3.26Å; E195-N197 PolarHBondContact O-N 3.43Å; E195-L198 WeakPolarHBondContact O-CB 3.05Å; E195-L198 PolarHBondContact O-N 3.28Å; E195-A199 WeakPolarHBondContact O-CB 3.37Å; E195-A199 PolarHBondContact O-N 2.87Å
196	A	76.1	Confident	71.2	Confident	44 Å²	44	78.1 Å²	78.1	36%	0.364	40%	0.398	S	S	.	.	H	α-helix	trans	-67.9	-22.7	172.4	0	0	0	0	0	113.2	D192 W193 K200	D192-A196 WeakPolarHBondContact O-CB 3.34Å; D192-A196 PolarHBondContact O-N 3.5Å; W193-A196 CarbonylContact O-C 3.56Å; W193-A196 PolarHBondContact O-N 2.87Å; A196-K200 WeakPolarHBondContact O-CB 3.21Å; A196-K200 WeakPolarHBondContact O-CG 3.23Å; A196-K200 PolarHBondContact O-N 3Å
197	N	71.8	Confident	69.7	Low	22 Å²	22	82 Å²	82	12%	0.118	42%	0.424	C	S	.	.	H	α-helix	trans	-86.6	-36.4	172.9	-84.2	-83.6	0	0	0	112.2	W193 L194 E195 A199 K200 C201	W193-N197 HydrophobicContact CE3-CB 4.41Å; W193-N197 HydrophobicContact CH2-CB 4.44Å; W193-N197 VanDerWaalsContact CZ2-ND2 3.33Å; W193-N197 WeakPolarHBondContact CZ2-ND2 3.42Å; W193-N197 HydrophobicContact CZ3-CB 4.22Å; W193-N197 PolarHBondContact NE1-ND2 2.78Å; W193-N197 WeakPolarHBondContact O-CB 3.4Å; W193-N197 PolarHBondContact O-N 2.79Å; W193-N197 PolarHBondContact O-ND2 2.83Å; L194-N197 PolarHBondContact O-N 3.19Å; E195-N197 VanDerWaalsContact C-N 3.26Å; E195-N197 PolarHBondContact O-N 3.43Å; N197-A199 VanDerWaalsContact C-N 3.27Å; N197-A199 PolarHBondContact O-N 2.86Å; N197-K200 VanDerWaalsContact CG-NZ 3.31Å; N197-K200 PolarHBondContact ND2-NZ 2.95Å; N197-K200 PolarHBondContact O-N 3.11Å; N197-K200 PolarHBondContact OD1-NZ 3.23Å; N197-K200 VanDerWaalsContact OD1-NZ 3.1Å; N197-C201 PolarHBondContact O-SG 3.03Å
198	L	74	Confident	68.4	Low	17 Å²	17	86.6 Å²	86.6	9%	0.089	46%	0.455	C	S	.	.	H	α-helix	trans	-52.5	-51.2	163.5	178.9	54.4	0	0	0	108.8	L121 L194 E195 C201 N945 N946	L121-L198 HydrophobicContact CD2-CD1 4.1Å; L194-L198 WeakPolarHBondContact O-CB 3.39Å; L194-L198 PolarHBondContact O-N 3.21Å; E195-L198 WeakPolarHBondContact O-CB 3.05Å; E195-L198 PolarHBondContact O-N 3.28Å; L198-C201 PolarHBondContact O-SG 3.12Å; L198-N945 HydrophobicContact CD1-CB 4.25Å; L198-N945 VanDerWaalsContact CD1-CG 3.48Å; L198-N945 WeakPolarHBondContact CD1-OD1 3.44Å; L198-N945 PolarHBondContact O-ND2 2.81Å; L198-N946 WeakPolarHBondContact CD1-OD1 3.28Å; L198-N946 WeakPolarHBondContact O-CB 3.23Å; L198-N946 PolarHBondContact O-OD1 2.71Å
199	A	68.3	Low	67.4	Low	22 Å²	22	85.7 Å²	85.7	18%	0.182	46%	0.46	C	S	.	.	H	α-helix	trans	-76	-25.2	-179.2	0	0	0	0	0	116.3	E195 N197 C201 R202	E195-A199 WeakPolarHBondContact O-CB 3.37Å; E195-A199 PolarHBondContact O-N 2.87Å; N197-A199 VanDerWaalsContact C-N 3.27Å; N197-A199 PolarHBondContact O-N 2.86Å; A199-C201 PolarHBondContact O-N 3.5Å; A199-R202 VanDerWaalsContact O-CB 3.22Å; A199-R202 WeakPolarHBondContact O-CB 3.42Å; A199-R202 WeakPolarHBondContact O-CD 3.38Å; A199-R202 PolarHBondContact O-N 2.88Å
200	K	60.8	Low	66.7	Low	87 Å²	87	81 Å²	81	38%	0.378	46%	0.458	S	S	.	.	H	α-helix	trans	-54.4	-30.4	177.6	-97.1	161.8	-148.6	165.5	0	112.6	A196 N197 R202	A196-K200 WeakPolarHBondContact O-CB 3.21Å; A196-K200 WeakPolarHBondContact O-CG 3.23Å; A196-K200 PolarHBondContact O-N 3Å; N197-K200 VanDerWaalsContact CG-NZ 3.31Å; N197-K200 PolarHBondContact ND2-NZ 2.95Å; N197-K200 PolarHBondContact O-N 3.11Å; N197-K200 PolarHBondContact OD1-NZ 3.23Å; N197-K200 VanDerWaalsContact OD1-NZ 3.1Å; K200-R202 VanDerWaalsContact C-N 3.25Å; K200-R202 PolarHBondContact O-N 3.13Å
201	C	56	Low	65.8	Low	6 Å²	6	83.3 Å²	83.3	4%	0.041	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-2.6	-179.8	-35	0	0	0	0	114.1	N197 L198 A199 R203 F944 N945 N946	N197-C201 PolarHBondContact O-SG 3.03Å; L198-C201 PolarHBondContact O-SG 3.12Å; A199-C201 PolarHBondContact O-N 3.5Å; C201-R203 PolarHBondContact O-N 3.48Å; C201-F944 VanDerWaalsContact CB-C 3.44Å; C201-F944 HydrophobicContact CB-CB 3.8Å; C201-F944 HydrophobicContact CB-CG 4.49Å; C201-F944 VanDerWaalsContact SG-C 3.59Å; C201-F944 WeakPolarHBondContact SG-CA 3.38Å; C201-F944 WeakPolarHBondContact SG-CB 3.33Å; C201-F944 WeakPolarHBondContact SG-CD1 3.33Å; C201-F944 WeakPolarHBondContact SG-CG 3.36Å; C201-N945 VanDerWaalsContact C-C 3.49Å; C201-N945 CarbonylContact C-O 3.39Å; C201-N945 HydrophobicContact CB-CB 3.72Å; C201-N945 WeakPolarHBondContact CB-O 3.42Å; C201-N945 CarbonylContact O-C 3.31Å; C201-N945 PolarHBondContact SG-N 2.67Å; C201-N945 PolarHBondContact SG-ND2 3.02Å; C201-N945 VanDerWaalsContact SG-ND2 3.45Å; C201-N946 HydrophobicContact CB-CB 4.17Å; C201-N946 PolarHBondContact O-N 3.29Å
202	R	51.2	Low	65.3	Low	108 Å²	108	85.9 Å²	85.9	41%	0.408	50%	0.499	S	S	.	.	S	Bend	trans	-50.6	0.7	165.5	-98	139.7	-161.1	-178	11.9	114.1	A199 K200 N946 D947	A199-R202 VanDerWaalsContact O-CB 3.22Å; A199-R202 WeakPolarHBondContact O-CB 3.42Å; A199-R202 WeakPolarHBondContact O-CD 3.38Å; A199-R202 PolarHBondContact O-N 2.88Å; K200-R202 VanDerWaalsContact C-N 3.25Å; K200-R202 PolarHBondContact O-N 3.13Å; R202-N946 HydrophobicContact CB-CB 4.33Å; R202-N946 HydrophobicContact CG-CB 3.9Å; R202-N946 PolarHBondContact NE-ND2 2.62Å; R202-N946 PolarHBondContact NH2-ND2 3.49Å; R202-D947 WeakPolarHBondContact CG-O 3.39Å; R202-D947 IonicContact CZ-OD2 3.04Å; R202-D947 PolarHBondContact NE-O 2.83Å; R202-D947 IonicContact NE-OD2 2.75Å; R202-D947 PolarHBondContact NE-OD2 2.82Å; R202-D947 IonicContact NH2-OD2 2.61Å; R202-D947 PolarHBondContact NH2-OD2 3.5Å
203	R	44.4	Very low	64.9	Low	195 Å²	195	85.5 Å²	85.5	74%	0.736	50%	0.503	S	S	*	.			trans	-119.1	103.5	-172.1	-52.3	174.5	-156.6	-179.5	4.9	107	C201	C201-R203 PolarHBondContact O-N 3.48Å
204	S	45.8	Very low	64.7	Low	76 Å²	76	83.8 Å²	83.8	53%	0.531	50%	0.502	S	S	.	.			trans	-44.9	168.7	149.1	-42.2	0	0	0	0	110.8	V90	V90-S204 WeakPolarHBondContact CG2-OG 3.08Å
205	A	52.7	Low	64.8	Low	88 Å²	88	86.2 Å²	86.2	73%	0.727	52%	0.519	S	S	*	.	S	Bend	trans	-45	139.2	170.4	0	0	0	0	0	110.7
206	P	55.3	Low	64.8	Low	113 Å²	113	91.1 Å²	91.1	73%	0.734	53%	0.533	S	S	*	.			trans	-52.9	140	-177.8	23.1	-34	0	0	0	109.5
207	P	62	Low	65.1	Low	114 Å²	114	93 Å²	93	74%	0.74	54%	0.544	S	S	*	.			trans	-52.8	138.4	-175.9	23.2	-34.3	0	0	0	109.1	G209	P207-G209 PolarHBondContact O-N 3.24Å
208	P	63.8	Low	65.3	Low	130 Å²	130	97 Å²	97	84%	0.844	56%	0.563	S	S	*	*			trans	-53.1	110.3	-170	20.3	-32.6	0	0	0	109.2
209	G	65.9	Low	65.5	Low	55 Å²	55	100.1 Å²	100.1	57%	0.567	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-59	149.9	-177	0	0	0	0	0	109.7	P207	P207-G209 PolarHBondContact O-N 3.24Å
210	P	70.3	Confident	66.1	Low	122 Å²	122	104.2 Å²	104.2	79%	0.792	60%	0.597	S	S	*	*	S	Bend	trans	-50.9	131.7	173.2	23.6	-33.7	0	0	0	108.3
211	P	66	Low	67	Low	110 Å²	110	105.3 Å²	105.3	71%	0.714	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-54.1	138.7	-168.1	20	-32.9	0	0	0	110
212	P	71.6	Confident	68.2	Low	116 Å²	116	109.6 Å²	109.6	75%	0.753	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-52.4	120.9	-171.7	20.5	-32.7	0	0	0	109.1	I214	P212-I214 PolarHBondContact O-N 2.9Å; P212-I214 VanDerWaalsContact O-N 3.12Å
213	P	73.8	Confident	69.7	Low	119 Å²	119	110.8 Å²	110.8	77%	0.773	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-59.8	122.6	-161.6	20.1	-32.8	0	0	0	110	P215	P213-P215 VanDerWaalsContact O-N 3.11Å
214	I	74.8	Confident	71.4	Confident	87 Å²	87	108.6 Å²	108.6	45%	0.446	62%	0.623	S	S	.	*			trans	-43.5	119.5	-171.4	-59.5	175.2	0	0	0	108.9	P212 R216 M218 L219	P212-I214 PolarHBondContact O-N 2.9Å; P212-I214 VanDerWaalsContact O-N 3.12Å; I214-R216 PolarHBondContact O-N 3.26Å; I214-M218 HydrophobicContact CG2-CB 3.63Å; I214-L219 HydrophobicContact CB-CD1 4.44Å; I214-L219 HydrophobicContact CB-CG 4.18Å; I214-L219 HydrophobicContact CG2-CD2 4.31Å; I214-L219 HydrophobicContact CG2-CG 3.91Å
215	P	79.2	Confident	72.8	Confident	67 Å²	67	108.4 Å²	108.4	44%	0.435	62%	0.615	S	S	.	*			trans	-49.5	136.7	-175	-32	36.3	0	0	0	111.2	P213 S217 M218 L219	P213-P215 VanDerWaalsContact O-N 3.11Å; P215-S217 WeakPolarHBondContact CB-OG 3.36Å; P215-S217 CarbonylContact O-C 3.6Å; P215-S217 PolarHBondContact O-N 2.83Å; P215-M218 HydrophobicContact CG-SD 4.49Å; P215-M218 WeakPolarHBondContact O-CA 3.44Å; P215-M218 WeakPolarHBondContact O-CB 3.47Å; P215-M218 PolarHBondContact O-N 3.28Å; P215-L219 PolarHBondContact O-N 3.41Å
216	R	78	Confident	73.8	Confident	215 Å²	215	108.5 Å²	108.5	81%	0.811	60%	0.6	S	S	*	*	H	α-helix	trans	-58.4	-25.1	-176.3	-136.7	-177.1	-160	-163.8	6.2	112.3	I214 L220	I214-R216 PolarHBondContact O-N 3.26Å; R216-L220 WeakPolarHBondContact O-CB 3.4Å; R216-L220 WeakPolarHBondContact O-CD1 3.14Å; R216-L220 PolarHBondContact O-N 3.5Å
217	S	80.6	Confident	74.8	Confident	85 Å²	85	109.1 Å²	109.1	59%	0.594	59%	0.593	S	S	*	*	H	α-helix	trans	-61.9	-47.9	167	45.9	0	0	0	0	112.9	P215 L220 Q221	P215-S217 WeakPolarHBondContact CB-OG 3.36Å; P215-S217 CarbonylContact O-C 3.6Å; P215-S217 PolarHBondContact O-N 2.83Å; S217-L220 CarbonylContact O-C 3.08Å; S217-L220 PolarHBondContact O-N 2.83Å; S217-Q221 VanDerWaalsContact O-CB 3.3Å; S217-Q221 WeakPolarHBondContact O-CB 3.23Å; S217-Q221 PolarHBondContact O-N 3.48Å
218	M	77.5	Confident	75.1	Confident	105 Å²	105	107.2 Å²	107.2	52%	0.517	58%	0.575	S	S	.	*	H	α-helix	trans	-65.8	-36.1	174.3	-79	-174.9	71.9	0	0	112.8	I214 P215 Q221 Q222	I214-M218 HydrophobicContact CG2-CB 3.63Å; P215-M218 HydrophobicContact CG-SD 4.49Å; P215-M218 WeakPolarHBondContact O-CA 3.44Å; P215-M218 WeakPolarHBondContact O-CB 3.47Å; P215-M218 PolarHBondContact O-N 3.28Å; M218-Q221 WeakPolarHBondContact O-CB 3.48Å; M218-Q221 PolarHBondContact O-N 3.1Å; M218-Q222 VanDerWaalsContact O-CB 3.32Å; M218-Q222 WeakPolarHBondContact O-CB 3.5Å; M218-Q222 WeakPolarHBondContact O-CG 3.42Å; M218-Q222 PolarHBondContact O-N 3.27Å
219	L	77	Confident	75.2	Confident	82 Å²	82	104.1 Å²	104.1	43%	0.429	55%	0.551	S	S	.	*	H	α-helix	trans	-68	-35.4	172.9	-75.4	168.7	0	0	0	112.3	I214 P215 R223	I214-L219 HydrophobicContact CB-CD1 4.44Å; I214-L219 HydrophobicContact CB-CG 4.18Å; I214-L219 HydrophobicContact CG2-CD2 4.31Å; I214-L219 HydrophobicContact CG2-CG 3.91Å; P215-L219 PolarHBondContact O-N 3.41Å; L219-R223 WeakPolarHBondContact O-CB 3.48Å; L219-R223 PolarHBondContact O-N 2.97Å
220	L	81.3	Confident	75	Confident	108 Å²	108	105.1 Å²	105.1	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-74.2	-33.3	171.4	-99.5	66.8	0	0	0	112.5	R216 S217 R223 K224	R216-L220 WeakPolarHBondContact O-CB 3.4Å; R216-L220 WeakPolarHBondContact O-CD1 3.14Å; R216-L220 PolarHBondContact O-N 3.5Å; S217-L220 CarbonylContact O-C 3.08Å; S217-L220 PolarHBondContact O-N 2.83Å; L220-R223 PolarHBondContact O-N 2.82Å; L220-K224 WeakPolarHBondContact O-CB 3.32Å; L220-K224 WeakPolarHBondContact O-CG 3.44Å; L220-K224 PolarHBondContact O-N 3.14Å
221	Q	80.2	Confident	74.5	Confident	110 Å²	110	99.6 Å²	99.6	51%	0.514	51%	0.505	S	S	.	.	H	α-helix	trans	-61.5	-56.2	171.8	-171.1	73.2	6.5	0	0	108.1	S217 M218 R223 K224 M225	S217-Q221 VanDerWaalsContact O-CB 3.3Å; S217-Q221 WeakPolarHBondContact O-CB 3.23Å; S217-Q221 PolarHBondContact O-N 3.48Å; M218-Q221 WeakPolarHBondContact O-CB 3.48Å; M218-Q221 PolarHBondContact O-N 3.1Å; Q221-R223 PolarHBondContact O-N 3.42Å; Q221-K224 PolarHBondContact O-N 2.97Å; Q221-K224 VanDerWaalsContact O-N 3.09Å; Q221-M225 HydrophobicContact CG-CG 4.44Å; Q221-M225 WeakPolarHBondContact O-CA 3.25Å; Q221-M225 WeakPolarHBondContact O-CB 3.39Å; Q221-M225 WeakPolarHBondContact O-CG 3.35Å; Q221-M225 PolarHBondContact O-N 2.93Å
222	Q	81.7	Confident	74.1	Confident	96 Å²	96	101 Å²	101	45%	0.449	50%	0.502	S	S	.	.	H	α-helix	trans	-54.2	-35.3	171.4	-79.8	-177.4	-20.8	0	0	112.2	M218 M225 Q226	M218-Q222 VanDerWaalsContact O-CB 3.32Å; M218-Q222 WeakPolarHBondContact O-CB 3.5Å; M218-Q222 WeakPolarHBondContact O-CG 3.42Å; M218-Q222 PolarHBondContact O-N 3.27Å; Q222-M225 CarbonylContact O-C 3.53Å; Q222-Q226 WeakPolarHBondContact O-CA 3.37Å; Q222-Q226 WeakPolarHBondContact O-CB 3.34Å; Q222-Q226 WeakPolarHBondContact O-CG 3.38Å; Q222-Q226 PolarHBondContact O-N 3.48Å
223	R	80.8	Confident	73.5	Confident	134 Å²	134	100.7 Å²	100.7	51%	0.506	49%	0.491	S	S	.	.	H	α-helix	trans	-80.4	-19.7	178.2	-154.8	169	-171.8	163	1.6	114.7	L219 L220 Q221 Q226 Q227	L219-R223 WeakPolarHBondContact O-CB 3.48Å; L219-R223 PolarHBondContact O-N 2.97Å; L220-R223 PolarHBondContact O-N 2.82Å; Q221-R223 PolarHBondContact O-N 3.42Å; R223-Q226 CarbonylContact O-C 3.6Å; R223-Q226 WeakPolarHBondContact O-CA 3.29Å; R223-Q226 PolarHBondContact O-N 2.96Å; R223-Q227 PolarHBondContact O-N 2.86Å
224	K	80.6	Confident	72.8	Confident	149 Å²	149	97.4 Å²	97.4	65%	0.648	47%	0.473	S	S	*	.	H	α-helix	trans	-89.6	-42.9	172.1	-79	-174.6	172.3	-171.4	0	112.9	L220 Q221 Q226 Q227	L220-K224 WeakPolarHBondContact O-CB 3.32Å; L220-K224 WeakPolarHBondContact O-CG 3.44Å; L220-K224 PolarHBondContact O-N 3.14Å; Q221-K224 PolarHBondContact O-N 2.97Å; Q221-K224 VanDerWaalsContact O-N 3.09Å; K224-Q226 PolarHBondContact O-N 2.67Å; K224-Q227 PolarHBondContact O-N 2.78Å
225	M	75.2	Confident	71.8	Confident	71 Å²	71	99.6 Å²	99.6	35%	0.35	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	18.1	147.9	-61.4	-141	-52.1	0	0	112.1	Q221 Q222 S288 L289	Q221-M225 HydrophobicContact CG-CG 4.44Å; Q221-M225 WeakPolarHBondContact O-CA 3.25Å; Q221-M225 WeakPolarHBondContact O-CB 3.39Å; Q221-M225 WeakPolarHBondContact O-CG 3.35Å; Q221-M225 PolarHBondContact O-N 2.93Å; Q222-M225 CarbonylContact O-C 3.53Å; M225-S288 WeakPolarHBondContact CA-O 3.32Å; M225-L289 VanDerWaalsContact C-C 3.46Å; M225-L289 CarbonylContact C-O 2.99Å; M225-L289 HydrophobicContact CB-CB 3.86Å; M225-L289 HydrophobicContact CB-CD1 4.23Å; M225-L289 HydrophobicContact CB-CG 4.41Å; M225-L289 HydrophobicContact CE-CD1 4.09Å; M225-L289 CarbonylContact O-C 3.59Å; M225-L289 VanDerWaalsContact O-C 3.31Å; M225-L289 WeakPolarHBondContact O-CB 3.21Å; M225-L289 HydrophobicContact SD-CD1 4.17Å; M225-L289 HydrophobicContact SD-CG 4.49Å
226	Q	75.1	Confident	70.3	Confident	91 Å²	91	103.1 Å²	103.1	43%	0.425	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	43.8	152.8	-73	-163.6	-10.7	0	0	110.8	Q222 R223 K224 L289 S290 S291	Q222-Q226 WeakPolarHBondContact O-CA 3.37Å; Q222-Q226 WeakPolarHBondContact O-CB 3.34Å; Q222-Q226 WeakPolarHBondContact O-CG 3.38Å; Q222-Q226 PolarHBondContact O-N 3.48Å; R223-Q226 CarbonylContact O-C 3.6Å; R223-Q226 WeakPolarHBondContact O-CA 3.29Å; R223-Q226 PolarHBondContact O-N 2.96Å; K224-Q226 PolarHBondContact O-N 2.67Å; Q226-L289 CarbonylContact C-O 3.51Å; Q226-L289 WeakPolarHBondContact CA-O 3.46Å; Q226-L289 PolarHBondContact N-O 3.37Å; Q226-S290 VanDerWaalsContact C-C 3.47Å; Q226-S290 WeakPolarHBondContact CB-O 3.11Å; Q226-S290 VanDerWaalsContact CG-O 3.23Å; Q226-S290 WeakPolarHBondContact CG-O 3.09Å; Q226-S290 CarbonylContact O-C 3.34Å; Q226-S290 WeakPolarHBondContact O-CA 3.46Å; Q226-S290 PolarHBondContact O-OG 3.16Å; Q226-S291 WeakPolarHBondContact O-CA 3.43Å; Q226-S291 WeakPolarHBondContact O-CB 3.18Å; Q226-S291 PolarHBondContact O-N 2.71Å; Q226-S291 PolarHBondContact O-OG 3.4Å; Q226-S291 VanDerWaalsContact OE1-CB 3.26Å
227	Q	74.7	Confident	69	Low	125 Å²	125	98.3 Å²	98.3	58%	0.584	50%	0.496	S	S	*	.	B	Isolated β-bridge	trans	-130.9	10.2	158.6	-71.4	-175.4	-26.3	0	0	117.6	R223 K224 L289 S290	R223-Q227 PolarHBondContact O-N 2.86Å; K224-Q227 PolarHBondContact O-N 2.78Å; Q227-L289 PolarHBondContact N-O 3.12Å; Q227-S290 VanDerWaalsContact CA-OG 3.25Å; Q227-S290 WeakPolarHBondContact CA-OG 3.48Å
228	Q	68.1	Low	67.2	Low	75 Å²	75	106.4 Å²	106.4	35%	0.35	51%	0.514	S	S	.	.	S	Bend	trans	-117.5	-17	-173.3	-73.4	-176.2	-52	0	0	119.7	C231 S288 L289	Q228-C231 VanDerWaalsContact O-CA 3.23Å; Q228-C231 WeakPolarHBondContact O-CA 3.42Å; Q228-C231 WeakPolarHBondContact O-CB 3.32Å; Q228-C231 PolarHBondContact O-SG 3.43Å; Q228-S288 VanDerWaalsContact OE1-C 3.3Å; Q228-S288 VanDerWaalsContact OE1-CA 3.24Å; Q228-S288 PolarHBondContact OE1-O 3.45Å; Q228-L289 PolarHBondContact N-O 3.37Å
229	N	66.1	Low	65.5	Low	64 Å²	64	108.2 Å²	108.2	34%	0.342	53%	0.525	S	S	.	.	S	Bend	trans	-83.9	-61.3	171.1	-70.4	3.8	0	0	0	115.8	C231 Q232 L289	N229-C231 VanDerWaalsContact C-CA 3.44Å; N229-C231 CarbonylContact O-C 3.41Å; N229-C231 WeakPolarHBondContact O-CA 3.43Å; N229-C231 PolarHBondContact O-N 3.47Å; N229-Q232 PolarHBondContact O-N 2.87Å; N229-L289 VanDerWaalsContact CG-CA 3.44Å; N229-L289 VanDerWaalsContact ND2-CD2 3.31Å; N229-L289 WeakPolarHBondContact ND2-CD2 3.49Å; N229-L289 WeakPolarHBondContact OD1-CA 3.39Å; N229-L289 PolarHBondContact OD1-N 3.41Å; N229-L289 VanDerWaalsContact OD1-N 3.16Å
230	Q	62.8	Low	64.1	Low	77 Å²	77	111.9 Å²	111.9	36%	0.36	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	98.2	147.4	-58.2	-179.7	11	0	0	105.3	S290 S291 L347	Q230-S290 WeakPolarHBondContact CB-OG 3.47Å; Q230-S290 VanDerWaalsContact O-CB 3.24Å; Q230-S290 WeakPolarHBondContact O-CB 3.37Å; Q230-S290 PolarHBondContact O-OG 3.11Å; Q230-S291 PolarHBondContact NE2-O 3.15Å; Q230-S291 PolarHBondContact OE1-O 2.99Å; Q230-S291 VanDerWaalsContact OE1-O 3.12Å; Q230-L347 HydrophobicContact CG-CB 4.45Å; Q230-L347 HydrophobicContact CG-CD2 3.95Å; Q230-L347 HydrophobicContact CG-CG 4.07Å
231	C	58.9	Low	62.3	Low	5 Å²	5	115.9 Å²	115.9	3%	0.034	56%	0.563	C	S	.	*	T	Hydrogen-bonded Turn		163.8	-84.2	-120.5	179.2	0	0	0	0	108.5	Q228 N229 S348 A349 N350	Q228-C231 VanDerWaalsContact O-CA 3.23Å; Q228-C231 WeakPolarHBondContact O-CA 3.42Å; Q228-C231 WeakPolarHBondContact O-CB 3.32Å; Q228-C231 PolarHBondContact O-SG 3.43Å; N229-C231 VanDerWaalsContact C-CA 3.44Å; N229-C231 CarbonylContact O-C 3.41Å; N229-C231 WeakPolarHBondContact O-CA 3.43Å; N229-C231 PolarHBondContact O-N 3.47Å; C231-S348 PolarHBondContact N-OG 3.27Å; C231-S348 PolarHBondContact O-OG 3.37Å; C231-A349 CarbonylContact O-C 2.96Å; C231-A349 VanDerWaalsContact O-O 3.14Å; C231-N350 HydrophobicContact CB-CB 3.64Å; C231-N350 WeakPolarHBondContact O-CB 3.31Å; C231-N350 VanDerWaalsContact SG-CB 3.58Å; C231-N350 PolarHBondContact SG-OD1 2.69Å
232	Q	58.9	Low	60.4	Low	141 Å²	141	118.2 Å²	118.2	66%	0.659	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	-30.8	-167.9	-66.4	158	-10	0	0	114.7	N229 A234 S348	N229-Q232 PolarHBondContact O-N 2.87Å; Q232-A234 VanDerWaalsContact C-N 3.32Å; Q232-A234 PolarHBondContact O-N 3.03Å; Q232-S348 PolarHBondContact N-OG 3.36Å
233	Q	59	Low	58.5	Low	109 Å²	109	119 Å²	119	51%	0.509	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	-1.8	-171.6	-48.8	-172.3	3.7	0	0	117.1	L347 S348	Q233-L347 HydrophobicContact CB-CB 4.09Å; Q233-L347 HydrophobicContact CG-CB 4.34Å; Q233-S348 VanDerWaalsContact N-CB 3.31Å; Q233-S348 PolarHBondContact N-OG 3.14Å
234	A	57.3	Low	56.6	Low	50 Å²	50	118.3 Å²	118.3	41%	0.413	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.4	8.8	-171.2	0	0	0	0	0	113.9	Q232 L236 S348	Q232-A234 VanDerWaalsContact C-N 3.32Å; Q232-A234 PolarHBondContact O-N 3.03Å; A234-L236 VanDerWaalsContact C-N 3.31Å; A234-S348 VanDerWaalsContact CB-CB 3.41Å; A234-S348 VanDerWaalsContact CB-O 3.28Å; A234-S348 WeakPolarHBondContact CB-O 3.36Å; A234-S348 PolarHBondContact N-OG 2.69Å; A234-S348 VanDerWaalsContact N-OG 3.14Å
235	L	54	Low	54.7	Low	133 Å²	133	116.9 Å²	116.9	70%	0.696	61%	0.613	S	S	*	*	S	Bend	trans	-96.7	17	172.4	-69.7	167.5	0	0	0	111.7
236	L	49.4	Very low	53.1	Low	141 Å²	141	119 Å²	119	74%	0.738	64%	0.635	S	S	*	*	S	Bend	trans	-116.5	140.9	176.3	-60.8	178.2	0	0	0	110.4	A234	A234-L236 VanDerWaalsContact C-N 3.31Å
237	P	49.4	Very low	51.3	Low	114 Å²	114	120.9 Å²	120.9	74%	0.74	65%	0.652	S	S	*	*			trans	-90.7	134	-151.4	-9.8	29.6	0	0	0	113.7	N239	P237-N239 PolarHBondContact O-N 3.01Å
238	R	42.7	Very low	49.5	Very low	255 Å²	255	119.5 Å²	119.5	96%	0.962	66%	0.657	S	S	*	*			trans	-65.1	118.7	162.8	-86.6	-177.3	170.2	166.7	-3.1	109.7
239	N	42.1	Very low	48.1	Very low	142 Å²	142	124 Å²	124	76%	0.759	68%	0.681	S	S	*	*			trans	-131.2	136	166.4	-112.7	-29.9	0	0	0	110.4	P237	P237-N239 PolarHBondContact O-N 3.01Å
240	L	48.5	Very low	46.6	Very low	159 Å²	159	124 Å²	124	83%	0.832	70%	0.697	S	S	*	*			trans	63.9	108.9	167.7	-51.8	179.6	0	0	0	117.7
241	M	42.7	Very low	45.4	Very low	193 Å²	193	127.4 Å²	127.4	95%	0.951	72%	0.717	S	S	*	*			trans	-74.6	156.5	159.8	-68.3	170.9	58.9	0	0	110.6
242	L	39.8	Very low	44.3	Very low	158 Å²	158	134.6 Å²	134.6	83%	0.827	75%	0.75	S	S	*	*			trans	-81.4	165.1	-177.1	-81.8	79.3	0	0	0	114.3
243	S	42.2	Very low	43.4	Very low	113 Å²	113	133.6 Å²	133.6	79%	0.79	75%	0.753	S	S	*	*			trans	84.7	156.7	150.7	83.6	0	0	0	0	117.4
244	P	40.5	Very low	42.3	Very low	120 Å²	120	134.9 Å²	134.9	78%	0.779	76%	0.762	S	S	*	*			cis	-117.8	167.8	6.8	33.2	-15.4	0	0	0	116
245	P	41.8	Very low	41.2	Very low	118 Å²	118	137.6 Å²	137.6	77%	0.766	77%	0.774	S	S	*	*			trans	-92.7	159.7	-173.1	36.8	-36.3	0	0	0	114.5
246	S	40.8	Very low	40.3	Very low	117 Å²	117	136.7 Å²	136.7	82%	0.818	77%	0.774	S	S	*	*			trans	-159.3	115	162.6	-81.3	0	0	0	0	115.4
247	V	38.7	Very low	39.7	Very low	130 Å²	130	134.7 Å²	134.7	79%	0.788	77%	0.771	S	S	*	*			trans	59.4	90.4	132.1	-166	0	0	0	0	120.4
248	S	36.5	Very low	39.1	Very low	96 Å²	96	133.3 Å²	133.3	67%	0.671	77%	0.765	S	S	*	*				91.1	161.7	122.8	83	0	0	0	0	124
249	I	37.9	Very low	38.8	Very low	169 Å²	169	129.4 Å²	129.4	87%	0.867	76%	0.755	S	S	*	*			trans	77.4	118.6	163.1	-59.9	159.7	0	0	0	117.2
250	G	35.1	Very low	38.5	Very low	65 Å²	65	129.6 Å²	129.6	67%	0.67	76%	0.756	S	S	*	*			trans	144.9	71.3	158	0	0	0	0	0	118.4
251	N	37.1	Very low	37.8	Very low	147 Å²	147	126.2 Å²	126.2	79%	0.786	75%	0.751	S	S	*	*			trans	6.4	143.5	135	-59.9	6.3	0	0	0	118.1
252	H	36.6	Very low	37.6	Very low	157 Å²	157	124 Å²	124	73%	0.727	74%	0.743	S	S	*	*			cis	-175.6	169.8	6.1	-125.3	-57.9	0	0	0	108.5
253	V	38.8	Very low	37.3	Very low	119 Å²	119	123.7 Å²	123.7	72%	0.721	74%	0.74	S	S	*	*			trans	68.6	138	144.7	160.7	0	0	0	0	117.7
254	I	37.8	Very low	36.9	Very low	136 Å²	136	123.6 Å²	123.6	70%	0.697	74%	0.739	S	S	*	*			cis	-153	159.2	-16.9	-120.3	169.7	0	0	0	109.3
255	T	34.2	Very low	36.6	Very low	108 Å²	108	125.7 Å²	125.7	66%	0.663	74%	0.741	S	S	*	*			trans	-23.7	167	153	12.4	0	0	0	0	117.9
256	T	35.1	Very low	36.2	Very low	114 Å²	114	124.6 Å²	124.6	70%	0.699	74%	0.737	S	S	*	*			cis	-163	158.6	33.9	-14.2	0	0	0	0	113
257	S	35.7	Very low	35.9	Very low	98 Å²	98	127.4 Å²	127.4	69%	0.685	74%	0.737	S	S	*	*			trans	3	155.6	138.4	69.8	0	0	0	0	120.7
258	S	37.2	Very low	35.6	Very low	85 Å²	85	125.6 Å²	125.6	59%	0.594	73%	0.73	S	S	*	*			cis	174.7	-168.7	-6.6	51.4	0	0	0	0	109
259	F	36.6	Very low	35.5	Very low	174 Å²	174	125.4 Å²	125.4	76%	0.763	73%	0.729	S	S	*	*			trans	93.7	115.7	161.3	-64.7	-67.1	0	0	0	120.8
260	N	35.4	Very low	35.6	Very low	146 Å²	146	125.3 Å²	125.3	78%	0.781	73%	0.73	S	S	*	*			trans	65.4	123.1	132.4	-62.7	2.7	0	0	0	121.6
261	A	34.1	Very low	35.7	Very low	88 Å²	88	129.3 Å²	129.3	73%	0.727	74%	0.736	S	S	*	*			trans	-62.8	163	166.6	0	0	0	0	0	113.7
262	N	37.2	Very low	36.2	Very low	145 Å²	145	127.5 Å²	127.5	78%	0.775	73%	0.732	S	S	*	*				-157.1	131	125.8	-101.3	-33.1	0	0	0	112.5
263	I	33.9	Very low	36.3	Very low	152 Å²	152	123.7 Å²	123.7	78%	0.779	73%	0.728	S	S	*	*			trans	49.9	138.4	135.2	-59.9	173.2	0	0	0	120.3
264	C	34.5	Very low	36.4	Very low	111 Å²	111	127.3 Å²	127.3	75%	0.75	73%	0.734	S	S	*	*			trans	-51.5	166.6	175.2	-43.7	0	0	0	0	116
265	I	33.4	Very low	36.5	Very low	164 Å²	164	125.8 Å²	125.8	84%	0.841	73%	0.731	S	S	*	*				-156.5	168.4	112.7	-99.6	153.3	0	0	0	109.8
266	S	33.8	Very low	36.9	Very low	95 Å²	95	128.3 Å²	128.3	66%	0.664	74%	0.735	S	S	*	*			trans	-88.6	-166.1	-161.5	50.6	0	0	0	0	115.7
267	E	33.9	Very low	37	Very low	176 Å²	176	131.1 Å²	131.1	82%	0.822	74%	0.74	S	S	*	*			trans	89.9	151.7	164	-55.9	-174.7	159.5	0	0	117.6
268	S	34	Very low	37	Very low	92 Å²	92	134.6 Å²	134.6	64%	0.643	75%	0.749	S	S	*	*			cis	-168.6	156.8	-41.8	54.5	0	0	0	0	107.9
269	S	34.4	Very low	36.9	Very low	92 Å²	92	134.9 Å²	134.9	64%	0.643	76%	0.756	S	S	*	*			trans	21.9	126.9	160.1	54.3	0	0	0	0	120.8
270	N	39.8	Very low	36.7	Very low	168 Å²	168	130.7 Å²	130.7	90%	0.898	75%	0.754	S	S	*	*				-169.4	150.2	110.5	-95.2	-46.8	0	0	0	114.5
271	D	37	Very low	36.6	Very low	149 Å²	149	131.4 Å²	131.4	80%	0.797	76%	0.757	S	S	*	*			trans	-89.1	-172.9	178.9	-116.7	-44.4	0	0	0	111.3
272	P	46.2	Very low	36.6	Very low	109 Å²	109	132.3 Å²	132.3	71%	0.708	76%	0.758	S	S	*	*			cis	-136.5	-176.4	-20.2	31.3	-10	0	0	0	114.7
273	A	38.9	Very low	37	Very low	76 Å²	76	131.2 Å²	131.2	63%	0.628	76%	0.759	S	S	*	*				133.8	126.5	119.4	0	0	0	0	0	118.8
274	K	41.7	Very low	37	Very low	195 Å²	195	129.6 Å²	129.6	85%	0.848	76%	0.761	S	S	*	*			trans	69.5	141.6	153.4	-63.1	170.1	-177	174.4	0	116.8
275	T	40	Very low	37	Very low	105 Å²	105	129 Å²	129	64%	0.644	76%	0.758	S	S	*	*			cis	-159.8	154.1	6.1	-4.9	0	0	0	0	112.7
276	H	43.3	Very low	37.1	Very low	161 Å²	161	128.6 Å²	128.6	75%	0.745	76%	0.757	S	S	*	*			trans	61.5	123.4	165.6	-50.5	-61.9	0	0	0	118.1
277	H	35.8	Very low	37.2	Very low	172 Å²	172	129 Å²	129	80%	0.796	76%	0.761	S	S	*	*			cis	79.9	95.9	41.2	-75.2	-79.4	0	0	0	116.7
278	I	36.2	Very low	37.4	Very low	172 Å²	172	123.3 Å²	123.3	88%	0.882	74%	0.74	S	S	*	*				173.1	150.3	107.4	-89.7	153.3	0	0	0	112.9
279	A	34.5	Very low	37.6	Very low	90 Å²	90	122.2 Å²	122.2	74%	0.744	73%	0.727	S	S	*	*			trans	-91.9	173.9	-176.4	0	0	0	0	0	113.2
280	A	33.2	Very low	37.8	Very low	87 Å²	87	119 Å²	119	72%	0.719	70%	0.704	S	S	*	*			cis	-175.2	-167.5	-23.8	0	0	0	0	0	109.7
281	L	33	Very low	37.9	Very low	160 Å²	160	111.5 Å²	111.5	84%	0.838	67%	0.665	S	S	*	*			trans	90.4	81.8	159.6	-49.7	179.8	0	0	0	121
282	S	34.2	Very low	37.9	Very low	108 Å²	108	107.3 Å²	107.3	76%	0.755	65%	0.648	S	S	*	*				49.6	162.9	105.6	-55.7	0	0	0	0	123.9
283	P	45.2	Very low	38.3	Very low	121 Å²	121	107.3 Å²	107.3	79%	0.786	65%	0.648	S	S	*	*			cis	-146.1	176.2	-36.2	40.2	-21.7	0	0	0	117.8
284	S	33.5	Very low	38.3	Very low	118 Å²	118	109.9 Å²	109.9	83%	0.825	65%	0.65	S	S	*	*			trans	171.9	175.3	161.4	35.5	0	0	0	0	114.1
285	S	35.2	Very low	38.2	Very low	98 Å²	98	105.9 Å²	105.9	69%	0.685	65%	0.646	S	S	*	*				-173.3	137.7	-51.6	62.7	0	0	0	0	116.2
286	N	35.1	Very low	38.1	Very low	156 Å²	156	110.4 Å²	110.4	83%	0.834	66%	0.658	S	S	*	*			trans	66.2	123.7	148.4	-53.8	-8.1	0	0	0	125.7
287	S	36.5	Very low	37.9	Very low	105 Å²	105	106.3 Å²	106.3	73%	0.734	65%	0.651	S	S	*	*			trans	142.1	153.9	143.9	63.1	0	0	0	0	119.8
288	S	37	Very low	38	Very low	56 Å²	56	102.9 Å²	102.9	39%	0.392	65%	0.647	S	S	.	*			trans	-174.5	179.6	175.5	59.9	0	0	0	0	118.5	M225 Q228	M225-S288 WeakPolarHBondContact CA-O 3.32Å; Q228-S288 VanDerWaalsContact OE1-C 3.3Å; Q228-S288 VanDerWaalsContact OE1-CA 3.24Å; Q228-S288 PolarHBondContact OE1-O 3.45Å
289	L	38.7	Very low	38.2	Very low	68 Å²	68	101.7 Å²	101.7	36%	0.356	65%	0.647	S	S	.	*			trans	92.9	138.8	162.5	-47.9	-171.6	0	0	0	123.5	M225 Q226 Q227 Q228 N229	M225-L289 VanDerWaalsContact C-C 3.46Å; M225-L289 CarbonylContact C-O 2.99Å; M225-L289 HydrophobicContact CB-CB 3.86Å; M225-L289 HydrophobicContact CB-CD1 4.23Å; M225-L289 HydrophobicContact CB-CG 4.41Å; M225-L289 HydrophobicContact CE-CD1 4.09Å; M225-L289 CarbonylContact O-C 3.59Å; M225-L289 VanDerWaalsContact O-C 3.31Å; M225-L289 WeakPolarHBondContact O-CB 3.21Å; M225-L289 HydrophobicContact SD-CD1 4.17Å; M225-L289 HydrophobicContact SD-CG 4.49Å; Q226-L289 CarbonylContact C-O 3.51Å; Q226-L289 WeakPolarHBondContact CA-O 3.46Å; Q226-L289 PolarHBondContact N-O 3.37Å; Q227-L289 PolarHBondContact N-O 3.12Å; Q228-L289 PolarHBondContact N-O 3.37Å; N229-L289 VanDerWaalsContact CG-CA 3.44Å; N229-L289 VanDerWaalsContact ND2-CD2 3.31Å; N229-L289 WeakPolarHBondContact ND2-CD2 3.49Å; N229-L289 WeakPolarHBondContact OD1-CA 3.39Å; N229-L289 PolarHBondContact OD1-N 3.41Å; N229-L289 VanDerWaalsContact OD1-N 3.16Å
290	S	39.4	Very low	38.4	Very low	24 Å²	24	100.9 Å²	100.9	17%	0.168	65%	0.648	C	S	.	*	B	Isolated β-bridge	trans	-127.3	168	-179.1	-143.3	0	0	0	0	123.2	Q226 Q227 Q230	Q226-S290 VanDerWaalsContact C-C 3.47Å; Q226-S290 WeakPolarHBondContact CB-O 3.11Å; Q226-S290 VanDerWaalsContact CG-O 3.23Å; Q226-S290 WeakPolarHBondContact CG-O 3.09Å; Q226-S290 CarbonylContact O-C 3.34Å; Q226-S290 WeakPolarHBondContact O-CA 3.46Å; Q226-S290 PolarHBondContact O-OG 3.16Å; Q227-S290 VanDerWaalsContact CA-OG 3.25Å; Q227-S290 WeakPolarHBondContact CA-OG 3.48Å; Q230-S290 WeakPolarHBondContact CB-OG 3.47Å; Q230-S290 VanDerWaalsContact O-CB 3.24Å; Q230-S290 WeakPolarHBondContact O-CB 3.37Å; Q230-S290 PolarHBondContact O-OG 3.11Å
291	S	40.7	Very low	38.6	Very low	11 Å²	11	103 Å²	103	8%	0.077	66%	0.657	C	S	.	*			trans	-129.1	-172.7	-157.5	57.2	0	0	0	0	119.6	Q226 Q230	Q226-S291 WeakPolarHBondContact O-CA 3.43Å; Q226-S291 WeakPolarHBondContact O-CB 3.18Å; Q226-S291 PolarHBondContact O-N 2.71Å; Q226-S291 PolarHBondContact O-OG 3.4Å; Q226-S291 VanDerWaalsContact OE1-CB 3.26Å; Q230-S291 PolarHBondContact NE2-O 3.15Å; Q230-S291 PolarHBondContact OE1-O 2.99Å; Q230-S291 VanDerWaalsContact OE1-O 3.12Å
292	S	38.9	Very low	39.2	Very low	62 Å²	62	101.6 Å²	101.6	43%	0.434	66%	0.658	S	S	.	*				92.5	172.2	129.1	-84.6	0	0	0	0	117.6
293	P	52.9	Low	39.3	Very low	109 Å²	109	101.2 Å²	101.2	71%	0.708	66%	0.661	S	S	*	*			cis	-124.2	-169	12.3	42.5	-25.8	0	0	0	115.1
294	L	39.5	Very low	38.9	Very low	129 Å²	129	102.5 Å²	102.5	68%	0.675	66%	0.661	S	S	*	*			cis	-120.5	-130.3	3.5	-73	163.4	0	0	0	110.3
295	S	40.5	Very low	39.1	Very low	111 Å²	111	103.9 Å²	103.9	78%	0.776	66%	0.659	S	S	*	*			cis	-172.6	162.3	2.5	22.6	0	0	0	0	110.7
296	F	36.4	Very low	39.3	Very low	201 Å²	201	107.7 Å²	107.7	88%	0.882	67%	0.666	S	S	*	*			cis	-156	-96	-25.7	-175.3	-132.2	0	0	0	114
297	A	39.7	Very low	39.3	Very low	74 Å²	74	105.3 Å²	105.3	61%	0.612	66%	0.661	S	S	*	*			trans	-133.9	154.6	-160.8	0	0	0	0	0	115.6
298	S	38.5	Very low	39.5	Very low	101 Å²	101	104.6 Å²	104.6	71%	0.706	66%	0.662	S	S	*	*			cis	-171.8	150.8	-20.7	-160.4	0	0	0	0	114.1
299	V	39.6	Very low	39.6	Very low	147 Å²	147	112.8 Å²	112.8	89%	0.891	68%	0.684	S	S	*	*			trans	41.1	155.7	157.9	-64	0	0	0	0	124.3
300	G	39.1	Very low	39.8	Very low	73 Å²	73	116.8 Å²	116.8	75%	0.753	70%	0.704	S	S	*	*			cis	164.7	130.9	-13.9	0	0	0	0	0	118.5
301	S	36.4	Very low	39.9	Very low	130 Å²	130	120.6 Å²	120.6	91%	0.909	73%	0.728	S	S	*	*			trans	68.5	161.9	148.6	-72.9	0	0	0	0	126
302	P	45.8	Very low	39.8	Very low	131 Å²	131	127 Å²	127	85%	0.851	76%	0.761	S	S	*	*			trans	-119.6	-156.9	-152.4	45.6	-34.3	0	0	0	118.9
303	A	37.5	Very low	40	Very low	100 Å²	100	129.5 Å²	129.5	83%	0.826	77%	0.774	S	S	*	*			trans	-125.4	178.1	-148.6	0	0	0	0	0	118.4
304	N	35.9	Very low	39.4	Very low	149 Å²	149	130.4 Å²	130.4	80%	0.797	78%	0.78	S	S	*	*			trans	-155	151.5	170.5	-140.9	-11.3	0	0	0	117
305	L	37	Very low	39.2	Very low	146 Å²	146	128 Å²	128	76%	0.764	79%	0.786	S	S	*	*			trans	-3.9	137	170.8	-65.4	156.2	0	0	0	124.1
306	Q	39.3	Very low	39	Very low	178 Å²	178	131.1 Å²	131.1	83%	0.832	79%	0.788	S	S	*	*				171.4	144	103.1	-89.1	-167.8	15.5	0	0	117
307	S	37.1	Very low	39	Very low	106 Å²	106	126.4 Å²	126.4	74%	0.741	78%	0.776	S	S	*	*			trans	61.3	113.2	142.5	-61.1	0	0	0	0	126.7
308	A	39.5	Very low	38.8	Very low	91 Å²	91	128.8 Å²	128.8	75%	0.752	78%	0.783	S	S	*	*				98.8	129.9	118.1	0	0	0	0	0	124.8
309	R	38.2	Very low	38.7	Very low	227 Å²	227	134.1 Å²	134.1	86%	0.857	79%	0.789	S	S	*	*			trans	70	128.2	162.2	-59.2	176.3	-171.5	172.7	3.8	118.1
310	I	44.5	Very low	38.9	Very low	152 Å²	152	130.6 Å²	130.6	78%	0.779	77%	0.77	S	S	*	*			cis	89.9	134.2	28.8	-63.4	164	0	0	0	113.2
311	P	40.3	Very low	39	Very low	104 Å²	104	129.5 Å²	129.5	68%	0.675	75%	0.746	S	S	*	*			cis	-118.2	-165.3	-24.6	26.6	-2.2	0	0	0	110.8
312	L	40	Very low	39.2	Very low	145 Å²	145	124.9 Å²	124.9	76%	0.759	72%	0.72	S	S	*	*			cis	-155.7	120.4	36.2	-77.4	164.4	0	0	0	108.8
313	T	43	Very low	38.8	Very low	115 Å²	115	123.6 Å²	123.6	71%	0.706	71%	0.709	S	S	*	*				64.2	140.3	88.3	64.6	0	0	0	0	117.1
314	P	40.2	Very low	38.6	Very low	129 Å²	129	126 Å²	126	84%	0.838	70%	0.703	S	S	*	*				-136.6	155.4	-56.6	33.4	-15.3	0	0	0	113.8
315	G	34.5	Very low	38.5	Very low	78 Å²	78	123.4 Å²	123.4	80%	0.804	69%	0.692	S	S	*	*			trans	-168.2	61.2	-176.9	0	0	0	0	0	117.1
316	H	37.4	Very low	38.4	Very low	176 Å²	176	123.3 Å²	123.3	82%	0.815	69%	0.686	S	S	*	*			trans	35.5	87.8	164.7	-108.1	-72.1	0	0	0	121.1
317	T	34.6	Very low	38.2	Very low	102 Å²	102	122.1 Å²	122.1	63%	0.626	68%	0.679	S	S	*	*			trans	55.5	99.4	132.2	59	0	0	0	0	122.1
318	T	36.9	Very low	38.2	Very low	125 Å²	125	123.8 Å²	123.8	77%	0.767	68%	0.676	S	S	*	*				66.8	137.2	110.8	-51.4	0	0	0	0	121.7
319	Y	35.9	Very low	37.9	Very low	213 Å²	213	124.7 Å²	124.7	84%	0.835	67%	0.669	S	S	*	*			cis	-171.8	150.8	-40.5	-117.6	-72.2	0	0	0	107.5
320	P	42.9	Very low	37.6	Very low	73 Å²	73	124.4 Å²	124.4	47%	0.474	67%	0.667	S	S	.	*			trans	-139.9	-163.5	-161.1	46.7	-28.4	0	0	0	117.1	L369	P320-L369 HydrophobicContact CB-CD1 3.42Å; P320-L369 VanDerWaalsContact CB-CD1 3.42Å; P320-L369 HydrophobicContact CB-CG 4.14Å; P320-L369 HydrophobicContact CG-CD1 3.67Å
321	N	42.3	Very low	37.2	Very low	49 Å²	49	121.3 Å²	121.3	26%	0.262	66%	0.659	S	S	.	*			trans	57.9	147.1	146.1	-66.2	6.4	0	0	0	124.7	K366 S367 P368 L369	N321-K366 WeakPolarHBondContact O-CD 3.38Å; N321-K366 WeakPolarHBondContact O-CE 3.49Å; N321-K366 WeakPolarHBondContact O-CG 3.12Å; N321-K366 PolarHBondContact O-NZ 3.45Å; N321-S367 CarbonylContact C-O 3.51Å; N321-S367 VanDerWaalsContact CA-O 3.22Å; N321-S367 WeakPolarHBondContact CA-O 3.17Å; N321-P368 HydrophobicContact CB-CB 4.38Å; N321-P368 WeakPolarHBondContact OD1-CA 3.44Å; N321-P368 WeakPolarHBondContact OD1-CB 3.36Å; N321-L369 VanDerWaalsContact OD1-CB 3.31Å; N321-L369 WeakPolarHBondContact OD1-CB 3.45Å; N321-L369 WeakPolarHBondContact OD1-CD1 3.38Å; N321-L369 VanDerWaalsContact OD1-CG 3.28Å; N321-L369 WeakPolarHBondContact OD1-CG 3.48Å
322	G	40.7	Very low	36.9	Very low	34 Å²	34	122.7 Å²	122.7	35%	0.351	66%	0.66	S	S	.	*			trans	145.4	104.8	148.5	0	0	0	0	0	117.2	K366 S367	G322-K366 WeakPolarHBondContact O-CB 3.42Å; G322-K366 VanDerWaalsContact O-CD 3.25Å; G322-K366 WeakPolarHBondContact O-CD 3.44Å; G322-S367 PolarHBondContact N-O 2.93Å
323	V	36.3	Very low	36.7	Very low	104 Å²	104	123.7 Å²	123.7	63%	0.63	66%	0.66	S	S	*	*			trans	-92.3	-179.4	175	-167.7	0	0	0	0	110.4
324	H	33.2	Very low	36.2	Very low	150 Å²	150	122.7 Å²	122.7	69%	0.694	66%	0.658	S	S	*	*			trans	100.3	172.3	151.3	-90.2	-67.7	0	0	0	121.6	F326	H324-F326 AromaticContact ND1-CE2 3.83Å; H324-F326 AromaticContact ND1-CZ 3.95Å
325	T	34.2	Very low	36	Very low	94 Å²	94	123.8 Å²	123.8	58%	0.577	65%	0.651	S	S	*	*			trans	-131.5	-156.3	-138.2	43.1	0	0	0	0	111.2
326	F	35.7	Very low	36.1	Very low	144 Å²	144	126.4 Å²	126.4	63%	0.632	65%	0.646	S	S	*	*			trans	87.9	145.8	162.8	-47.4	-55.6	0	0	0	116.1	H324	H324-F326 AromaticContact ND1-CE2 3.83Å; H324-F326 AromaticContact ND1-CZ 3.95Å
327	F	34.6	Very low	35.9	Very low	154 Å²	154	123.8 Å²	123.8	68%	0.675	64%	0.638	S	S	*	*			cis	-163.9	151.5	-10.6	-116.2	-33.9	0	0	0	111.6
328	M	38.1	Very low	35.7	Very low	140 Å²	140	125.5 Å²	125.5	69%	0.69	64%	0.644	S	S	*	*			trans	64.2	160.8	143.9	-70.8	-167.8	-172.4	0	0	119.6
329	N	31.9	Very low	35.6	Very low	111 Å²	111	124.8 Å²	124.8	59%	0.594	64%	0.644	S	S	*	*			cis	-158.8	155.1	-4.8	-125.8	-15.1	0	0	0	112.7
330	R	33.1	Very low	35.5	Very low	221 Å²	221	119.2 Å²	119.2	83%	0.834	64%	0.636	S	S	*	*			trans	59	156.1	144.9	-71.9	-178.4	-179.3	-124.6	-1.1	119.1
331	S	35.5	Very low	35	Very low	87 Å²	87	123.1 Å²	123.1	61%	0.608	65%	0.652	S	S	*	*			cis	-171.1	177.2	-7.9	-105	0	0	0	0	108.3
332	I	35	Very low	34.6	Very low	133 Å²	133	128.1 Å²	128.1	68%	0.682	68%	0.677	S	S	*	*			cis	-176.1	166.3	-42.8	-161.7	166.3	0	0	0	107
333	H	34.3	Very low	34.6	Very low	165 Å²	165	131.5 Å²	131.5	76%	0.764	69%	0.693	S	S	*	*			trans	68.7	158.9	-175.8	-63.6	-64.9	0	0	0	115.1
334	S	33	Very low	34.7	Very low	94 Å²	94	132.2 Å²	132.2	66%	0.657	70%	0.7	S	S	*	*			cis	-175.4	167.1	-26.3	60.9	0	0	0	0	105.8
335	E	35.4	Very low	34.7	Very low	152 Å²	152	132.6 Å²	132.6	71%	0.71	71%	0.706	S	S	*	*			cis	-162.5	164.4	1.2	-129.6	164.5	-133.4	0	0	110.1
336	L	37	Very low	34.7	Very low	133 Å²	133	132.4 Å²	132.4	70%	0.696	71%	0.708	S	S	*	*			trans	62.7	130.5	150.8	-67.2	167.2	0	0	0	124.4
337	N	33.4	Very low	34.6	Very low	121 Å²	121	129.2 Å²	129.2	65%	0.647	70%	0.697	S	S	*	*			trans	80.9	97.4	135.4	-66.5	-8.6	0	0	0	123.6
338	N	31.1	Very low	34.5	Very low	139 Å²	139	123.3 Å²	123.3	74%	0.743	68%	0.675	S	S	*	*				65.7	110.7	114.2	-63.5	-4.3	0	0	0	122.1
339	S	33.5	Very low	34.3	Very low	110 Å²	110	119.4 Å²	119.4	77%	0.769	67%	0.665	S	S	*	*				120.6	123.3	111.9	70.8	0	0	0	0	119.6
340	S	34.1	Very low	34.3	Very low	96 Å²	96	118.2 Å²	118.2	67%	0.671	66%	0.659	S	S	*	*			trans	65.1	117.4	145	32.6	0	0	0	0	123.8
341	I	33.8	Very low	34.3	Very low	155 Å²	155	114.4 Å²	114.4	80%	0.795	65%	0.654	S	S	*	*				81	133.1	119.9	-68.2	169.9	0	0	0	118.5
342	L	32.6	Very low	34.1	Very low	153 Å²	153	114 Å²	114	80%	0.801	65%	0.651	S	S	*	*			cis	-155.6	150.5	-14.7	-104.5	174.2	0	0	0	110
343	P	41.7	Very low	33.9	Very low	106 Å²	106	116.2 Å²	116.2	69%	0.688	66%	0.658	S	S	*	*			trans	-133.7	142.9	-172.4	39.6	-23.3	0	0	0	120
344	P	37	Very low	33.6	Very low	119 Å²	119	111.9 Å²	111.9	77%	0.773	65%	0.646	S	S	*	*			trans	-80.4	167.9	163.9	-15.3	32.5	0	0	0	114.4
345	I	34.7	Very low	33.6	Very low	158 Å²	158	116.8 Å²	116.8	81%	0.81	65%	0.652	S	S	*	*			cis	83.8	123.6	14	-48.1	171.3	0	0	0	114.2
346	S	34	Very low	33.4	Very low	90 Å²	90	116.5 Å²	116.5	63%	0.629	65%	0.654	S	S	*	*			cis	-140	142.2	27.2	43.4	0	0	0	0	119.1
347	L	32.2	Very low	33.2	Very low	76 Å²	76	115.2 Å²	115.2	40%	0.398	65%	0.652	S	S	.	*			trans	40.4	141.7	142.9	-68.9	93.9	0	0	0	126.4	Q230 Q233	Q230-L347 HydrophobicContact CG-CB 4.45Å; Q230-L347 HydrophobicContact CG-CD2 3.95Å; Q230-L347 HydrophobicContact CG-CG 4.07Å; Q233-L347 HydrophobicContact CB-CB 4.09Å; Q233-L347 HydrophobicContact CG-CB 4.34Å
348	S	33.2	Very low	33.1	Very low	30 Å²	30	118.2 Å²	118.2	21%	0.21	66%	0.662	C	S	.	*				127.3	165	125.9	178.4	0	0	0	0	121.6	C231 Q232 Q233 A234	C231-S348 PolarHBondContact N-OG 3.27Å; C231-S348 PolarHBondContact O-OG 3.37Å; Q232-S348 PolarHBondContact N-OG 3.36Å; Q233-S348 VanDerWaalsContact N-CB 3.31Å; Q233-S348 PolarHBondContact N-OG 3.14Å; A234-S348 VanDerWaalsContact CB-CB 3.41Å; A234-S348 VanDerWaalsContact CB-O 3.28Å; A234-S348 WeakPolarHBondContact CB-O 3.36Å; A234-S348 PolarHBondContact N-OG 2.69Å; A234-S348 VanDerWaalsContact N-OG 3.14Å
349	A	33.2	Very low	33.2	Very low	59 Å²	59	115.7 Å²	115.7	49%	0.488	66%	0.66	S	S	.	*			trans	-158.2	-114.3	-165.9	0	0	0	0	0	115.7	C231	C231-A349 CarbonylContact O-C 2.96Å; C231-A349 VanDerWaalsContact O-O 3.14Å
350	N	31.7	Very low	33.1	Very low	86 Å²	86	118.1 Å²	118.1	46%	0.46	66%	0.663	S	S	.	*			trans	103.7	158.8	-177.1	-152	-6.7	0	0	0	114	C231	C231-N350 HydrophobicContact CB-CB 3.64Å; C231-N350 WeakPolarHBondContact O-CB 3.31Å; C231-N350 VanDerWaalsContact SG-CB 3.58Å; C231-N350 PolarHBondContact SG-OD1 2.69Å
351	I	34.4	Very low	33.2	Very low	141 Å²	141	118.5 Å²	118.5	72%	0.723	66%	0.664	S	S	*	*			trans	69.3	147.6	165.7	-65.7	156.2	0	0	0	114.1
352	S	30.2	Very low	32.9	Very low	79 Å²	79	116.1 Å²	116.1	55%	0.552	66%	0.66	S	S	*	*			cis	-174.2	166.7	-26	-89.3	0	0	0	0	106.9
353	Q	30.6	Very low	32.9	Very low	179 Å²	179	117.1 Å²	117.1	84%	0.836	66%	0.659	S	S	*	*			trans	61	148	149.7	-71.5	161.2	27.8	0	0	117.4
354	S	29.3	Very low	32.6	Very low	73 Å²	73	123 Å²	123	51%	0.51	67%	0.668	S	S	.	*			cis	178.7	-178.8	9.7	37.9	0	0	0	0	109.1
355	Y	32.4	Very low	32.4	Very low	197 Å²	197	128.4 Å²	128.4	77%	0.773	67%	0.673	S	S	*	*			trans	73.7	123.4	164.4	-52.4	-53.4	0	0	0	117.8
356	L	31.8	Very low	32.5	Very low	147 Å²	147	126.9 Å²	126.9	77%	0.77	66%	0.66	S	S	*	*				62.3	133.9	83.9	-56.6	176.5	0	0	0	113.4
357	T	32.1	Very low	32.5	Very low	105 Å²	105	126 Å²	126	64%	0.644	65%	0.654	S	S	*	*			cis	-165.4	144.3	0.4	7.6	0	0	0	0	112.8
358	Q	32.5	Very low	32.9	Very low	185 Å²	185	126.9 Å²	126.9	86%	0.864	67%	0.665	S	S	*	*			trans	54.9	159.4	141.6	-67.7	174.7	29.8	0	0	123.9
359	A	32.6	Very low	33	Very low	85 Å²	85	130 Å²	130	70%	0.702	68%	0.678	S	S	*	*			trans	72.1	129.5	167	0	0	0	0	0	119.1
360	I	31.7	Very low	33.1	Very low	161 Å²	161	134.3 Å²	134.3	83%	0.826	69%	0.686	S	S	*	*			cis	92.2	128.6	29.9	-65.1	165.5	0	0	0	112.6
361	P	34.9	Very low	33.5	Very low	105 Å²	105	137.9 Å²	137.9	68%	0.682	70%	0.698	S	S	*	*			cis	-149.1	-168.5	-25.8	43.4	-22.6	0	0	0	116.1
362	C	28	Very low	33.7	Very low	105 Å²	105	137.4 Å²	137.4	71%	0.709	70%	0.697	S	S	*	*			trans	74.9	141.5	144.3	-74	0	0	0	0	125.3
363	H	33.4	Very low	33.9	Very low	173 Å²	173	141 Å²	141	80%	0.801	70%	0.704	S	S	*	*			trans	64.9	118.9	150	-69.1	-51.5	0	0	0	123.8
364	R	34	Very low	34.2	Very low	231 Å²	231	139 Å²	139	87%	0.872	70%	0.699	S	S	*	*				-158.9	144.1	105.4	-108.7	172	-178.1	176.1	1.9	113.5
365	R	33.6	Very low	34.4	Very low	231 Å²	231	143.5 Å²	143.5	87%	0.872	71%	0.712	S	S	*	*			trans	-107.8	-174.9	162.7	-69.4	178.8	172.5	167.6	-4.3	108.3
366	K	36.7	Very low	34.6	Very low	126 Å²	126	142.2 Å²	142.2	55%	0.548	71%	0.713	S	S	.	*			trans	-174.3	165.4	134	-96.6	152.4	175	-102.7	0	113.2	N321 G322	N321-K366 WeakPolarHBondContact O-CD 3.38Å; N321-K366 WeakPolarHBondContact O-CE 3.49Å; N321-K366 WeakPolarHBondContact O-CG 3.12Å; N321-K366 PolarHBondContact O-NZ 3.45Å; G322-K366 WeakPolarHBondContact O-CB 3.42Å; G322-K366 VanDerWaalsContact O-CD 3.25Å; G322-K366 WeakPolarHBondContact O-CD 3.44Å
367	S	34	Very low	34.8	Very low	71 Å²	71	139.5 Å²	139.5	50%	0.497	71%	0.706	S	S	.	*			trans	-142.6	-174.7	-175	55.5	0	0	0	0	112.3	N321 G322	N321-S367 CarbonylContact C-O 3.51Å; N321-S367 VanDerWaalsContact CA-O 3.22Å; N321-S367 WeakPolarHBondContact CA-O 3.17Å; G322-S367 PolarHBondContact N-O 2.93Å
368	P	40.6	Very low	35.1	Very low	95 Å²	95	142.1 Å²	142.1	62%	0.617	72%	0.715	S	S	*	*			trans	-152.6	-168.5	130.3	39.8	-22	0	0	0	116	N321	N321-P368 HydrophobicContact CB-CB 4.38Å; N321-P368 WeakPolarHBondContact OD1-CA 3.44Å; N321-P368 WeakPolarHBondContact OD1-CB 3.36Å
369	L	34.8	Very low	35.2	Very low	95 Å²	95	136.6 Å²	136.6	50%	0.497	70%	0.701	S	S	.	*				-159.6	171.7	-83.9	-134.2	-161	0	0	0	112.1	P320 N321	P320-L369 HydrophobicContact CB-CD1 3.42Å; P320-L369 VanDerWaalsContact CB-CD1 3.42Å; P320-L369 HydrophobicContact CB-CG 4.14Å; P320-L369 HydrophobicContact CG-CD1 3.67Å; N321-L369 VanDerWaalsContact OD1-CB 3.31Å; N321-L369 WeakPolarHBondContact OD1-CB 3.45Å; N321-L369 WeakPolarHBondContact OD1-CD1 3.38Å; N321-L369 VanDerWaalsContact OD1-CG 3.28Å; N321-L369 WeakPolarHBondContact OD1-CG 3.48Å
370	F	35.2	Very low	35.2	Very low	150 Å²	150	140.7 Å²	140.7	66%	0.658	71%	0.706	S	S	*	*			trans	78.5	149.3	162.7	-68.5	-52	0	0	0	118.9
371	K	40	Very low	35.2	Very low	161 Å²	161	139.8 Å²	139.8	70%	0.7	70%	0.702	S	S	*	*			cis	-159.4	151.1	-5.3	-138.9	157	-175.1	175.7	0	114.5
372	N	38.2	Very low	35	Very low	132 Å²	132	139 Å²	139	71%	0.706	71%	0.705	S	S	*	*			trans	-13	179.2	160.8	-40.6	-4.3	0	0	0	121.4
373	H	35.9	Very low	35.1	Very low	153 Å²	153	140.9 Å²	140.9	71%	0.708	71%	0.706	S	S	*	*			cis	-169.5	167.6	22.2	-149.2	-73.5	0	0	0	115.1
374	L	36.9	Very low	35.1	Very low	139 Å²	139	141.1 Å²	141.1	73%	0.728	71%	0.705	S	S	*	*			trans	68.2	140.5	168.3	-76.5	117.7	0	0	0	119.1
375	Q	34.1	Very low	35.1	Very low	167 Å²	167	137.6 Å²	137.6	78%	0.78	70%	0.699	S	S	*	*			cis	106.8	141.5	2.8	-165.1	69	18.3	0	0	116.5
376	E	35.8	Very low	35.1	Very low	169 Å²	169	130.8 Å²	130.8	79%	0.79	69%	0.687	S	S	*	*			trans	81.5	153.1	172.6	-53	-156.5	152.2	0	0	118.4
377	S	35	Very low	35.2	Very low	90 Å²	90	131 Å²	131	63%	0.629	69%	0.693	S	S	*	*			cis	-173.4	158.8	-32.1	-166.7	0	0	0	0	109.9
378	I	38.4	Very low	35.4	Very low	160 Å²	160	135 Å²	135	82%	0.821	71%	0.71	S	S	*	*			trans	64.5	156.7	159.7	-73.1	153.9	0	0	0	117.1
379	A	34.3	Very low	35.2	Very low	70 Å²	70	133.1 Å²	133.1	58%	0.579	71%	0.707	S	S	*	*			cis	-166.8	176.1	-43.9	0	0	0	0	0	109.1
380	Q	32.5	Very low	35.3	Very low	171 Å²	171	137.3 Å²	137.3	80%	0.799	72%	0.722	S	S	*	*			trans	69.9	153.5	152.9	-70.7	168.9	-10.1	0	0	120.2
381	N	31.9	Very low	35.9	Very low	142 Å²	142	133.9 Å²	133.9	76%	0.759	72%	0.716	S	S	*	*			trans	61.8	102.8	163.9	-51.8	-23.1	0	0	0	116.1
382	A	32.3	Very low	35.8	Very low	89 Å²	89	131.6 Å²	131.6	74%	0.736	71%	0.712	S	S	*	*			cis	81.7	164.4	45.1	0	0	0	0	0	114.5
383	I	30.4	Very low	35.8	Very low	143 Å²	143	130 Å²	130	73%	0.733	70%	0.703	S	S	*	*			trans	77.6	109.5	168	-66.5	165.5	0	0	0	116.1
384	F	31.8	Very low	36	Very low	179 Å²	179	127.3 Å²	127.3	79%	0.785	69%	0.691	S	S	*	*			trans	64.2	168.7	149.2	-71.1	-139.8	0	0	0	114.7
385	E	34.6	Very low	36.2	Very low	156 Å²	156	123.4 Å²	123.4	73%	0.729	67%	0.67	S	S	*	*			cis	-135.1	128.4	-8.4	-115.7	135.5	172.2	0	0	104.2
386	S	33.1	Very low	36.4	Very low	89 Å²	89	118.9 Å²	118.9	62%	0.622	66%	0.657	S	S	*	*				70.5	177.8	92.2	82	0	0	0	0	114.6
387	D	39.1	Very low	36.6	Very low	129 Å²	129	114.9 Å²	114.9	69%	0.69	64%	0.638	S	S	*	*			trans	65.9	95.9	170.3	-52.4	14.1	0	0	0	114.4
388	D	37.8	Very low	36.6	Very low	156 Å²	156	113.6 Å²	113.6	83%	0.834	63%	0.629	S	S	*	*				79.8	144.6	83.5	-73.9	-18.9	0	0	0	113.3
389	G	36.2	Very low	36.4	Very low	55 Å²	55	112.9 Å²	112.9	57%	0.567	63%	0.626	S	S	*	*			cis	163.7	173.1	0.3	0	0	0	0	0	110.4
390	F	38	Very low	36.5	Very low	184 Å²	184	114.6 Å²	114.6	81%	0.807	63%	0.63	S	S	*	*			trans	64.9	123.5	176.9	-64	-100.5	0	0	0	114.8
391	S	47.1	Very low	36.7	Very low	77 Å²	77	113.7 Å²	113.7	54%	0.538	63%	0.625	S	S	.	*			cis	65.3	145.7	47.1	88.6	0	0	0	0	111.8
392	D	38.8	Very low	36.7	Very low	113 Å²	113	113.4 Å²	113.4	60%	0.604	62%	0.624	S	S	*	*			cis	-137.9	162	48.6	-73	-19.9	0	0	0	113.2
393	N	38.7	Very low	36.7	Very low	99 Å²	99	112 Å²	112	53%	0.529	61%	0.612	S	S	.	*			cis	-158.6	120.2	-20.3	-101.2	-28.5	0	0	0	106.9
394	E	39.6	Very low	37	Very low	97 Å²	97	114 Å²	114	45%	0.453	62%	0.618	S	S	.	*				83.4	103.2	82.4	-80.8	-154.5	139.9	0	0	116.7	K514 Q515	E394-K514 WeakPolarHBondContact O-CE 3.14Å; E394-K514 IonicContact OE2-NZ 2.71Å; E394-K514 PolarHBondContact OE2-NZ 3.3Å; E394-Q515 VanDerWaalsContact CD-NE2 3.29Å; E394-Q515 PolarHBondContact OE1-NE2 3.45Å; E394-Q515 PolarHBondContact OE2-NE2 3.2Å
395	I	41.3	Very low	36.9	Very low	57 Å²	57	110 Å²	110	29%	0.292	61%	0.612	S	S	.	*				56.8	121.1	127.8	-58.3	165.7	0	0	0	118.3	Q397 K514 Q515	I395-Q397 HydrophobicContact CG2-CB 4.23Å; I395-Q397 HydrophobicContact CG2-CG 4.35Å; I395-K514 WeakPolarHBondContact O-CG 3.23Å; I395-Q515 HydrophobicContact CB-CG 3.77Å; I395-Q515 HydrophobicContact CG2-CB 4.42Å; I395-Q515 HydrophobicContact CG2-CG 3.43Å; I395-Q515 VanDerWaalsContact CG2-CG 3.43Å
396	S	38.5	Very low	36.9	Very low	71 Å²	71	107.6 Å²	107.6	50%	0.497	61%	0.609	S	S	.	*			cis	77	175.8	37.1	-46.3	0	0	0	0	115.1	Q515	S396-Q515 WeakPolarHBondContact O-CA 3.25Å
397	Q	38.9	Very low	36.9	Very low	86 Å²	86	108.7 Å²	108.7	40%	0.402	61%	0.612	S	S	.	*			trans	68	154.1	169.3	-68.2	163.1	-24.8	0	0	117.1	I395 S518	I395-Q397 HydrophobicContact CG2-CB 4.23Å; I395-Q397 HydrophobicContact CG2-CG 4.35Å; Q397-S518 VanDerWaalsContact NE2-N 3.17Å
398	S	34.9	Very low	36.6	Very low	63 Å²	63	108.9 Å²	108.9	44%	0.441	61%	0.613	S	S	.	*			cis	-176.9	178	-15.9	51	0	0	0	0	111.8	C516 G517	S398-C516 PolarHBondContact OG-O 2.79Å; S398-G517 PolarHBondContact OG-N 2.79Å; S398-G517 VanDerWaalsContact OG-N 3.08Å
399	L	35.3	Very low	36.3	Very low	144 Å²	144	106.8 Å²	106.8	75%	0.754	61%	0.605	S	S	*	*			trans	73.8	152.5	162.7	-54.2	166.1	0	0	0	115
400	T	36.1	Very low	36.3	Very low	106 Å²	106	110.9 Å²	110.9	65%	0.65	61%	0.613	S	S	*	*			cis	-179.5	158.9	-5.1	30.3	0	0	0	0	105
401	E	35.8	Very low	36	Very low	152 Å²	152	108.2 Å²	108.2	71%	0.71	61%	0.607	S	S	*	*			cis	-168.6	170.1	-4.8	-119.7	177	-154.8	0	0	108.6
402	N	32.2	Very low	35.5	Very low	137 Å²	137	114 Å²	114	73%	0.733	62%	0.623	S	S	*	*			trans	35.9	143.6	141	-61.5	-36.8	0	0	0	122.1
403	A	32.4	Very low	35.1	Very low	58 Å²	58	112.7 Å²	112.7	48%	0.479	62%	0.622	S	S	.	*			cis	-175.4	-177.3	-10.4	0	0	0	0	0	108.2
404	H	36.7	Very low	35	Very low	185 Å²	185	115 Å²	115	86%	0.856	63%	0.634	S	S	*	*			trans	74.7	149.9	167.3	-41.7	-56.1	0	0	0	116.4
405	S	30.6	Very low	34.8	Very low	96 Å²	96	116.5 Å²	116.5	67%	0.671	65%	0.645	S	S	*	*			cis	-168.6	-179.4	-30.7	-158.3	0	0	0	0	109.7
406	T	34.1	Very low	34.5	Very low	106 Å²	106	119.3 Å²	119.3	65%	0.65	66%	0.659	S	S	*	*			trans	60.5	117.7	149	46.5	0	0	0	0	121.6
407	T	34.1	Very low	34.4	Very low	112 Å²	112	123.5 Å²	123.5	69%	0.687	67%	0.671	S	S	*	*			trans	72	155.8	130.5	65.6	0	0	0	0	119.9
408	N	31.5	Very low	34.4	Very low	133 Å²	133	123.7 Å²	123.7	71%	0.711	68%	0.679	S	S	*	*			cis	-161.8	134	-16.6	-108	-5.1	0	0	0	112.4
409	T	31.9	Very low	34.5	Very low	111 Å²	111	129.6 Å²	129.6	68%	0.681	70%	0.697	S	S	*	*				64.6	162.7	126.5	-36.2	0	0	0	0	121.8
410	I	35.9	Very low	34.4	Very low	141 Å²	141	129.3 Å²	129.3	72%	0.723	70%	0.696	S	S	*	*			trans	106.9	77.9	158.1	-51.2	-175.2	0	0	0	117.5
411	N	31.4	Very low	34.4	Very low	129 Å²	129	130.4 Å²	130.4	69%	0.69	70%	0.697	S	S	*	*				54.9	118.6	119.4	-48.2	-14.9	0	0	0	121.2
412	K	36.1	Very low	34	Very low	199 Å²	199	129.5 Å²	129.5	87%	0.865	70%	0.695	S	S	*	*				169	154.2	105.7	-91.4	165.9	-174.8	175.7	0	111
413	S	31.5	Very low	34	Very low	84 Å²	84	128.3 Å²	128.3	59%	0.587	70%	0.696	S	S	*	*			cis	177.7	162.8	-29	49.3	0	0	0	0	108.5
414	L	36.5	Very low	34.2	Very low	149 Å²	149	132.6 Å²	132.6	78%	0.78	71%	0.711	S	S	*	*			trans	75.2	146.1	174.8	-43.7	163.4	0	0	0	113.5
415	N	34.3	Very low	34.5	Very low	127 Å²	127	128.3 Å²	128.3	68%	0.679	70%	0.699	S	S	*	*			cis	-163.4	164.8	-13.5	-108.3	3.2	0	0	0	109.7
416	I	36.7	Very low	34.4	Very low	116 Å²	116	129.2 Å²	129.2	60%	0.595	70%	0.697	S	S	*	*			cis	-172.2	155.8	-39	-158.9	172.3	0	0	0	110.5
417	H	34.8	Very low	34.3	Very low	160 Å²	160	131.9 Å²	131.9	74%	0.741	70%	0.701	S	S	*	*			trans	79.3	157.5	153.8	-78.7	-26.2	0	0	0	121.2
418	P	39.6	Very low	34.3	Very low	89 Å²	89	132 Å²	132	58%	0.578	70%	0.703	S	S	*	*				-151.5	-172.2	-64.7	41.9	-20.7	0	0	0	116.8
419	K	36.8	Very low	34.3	Very low	187 Å²	187	131.4 Å²	131.4	81%	0.813	70%	0.704	S	S	*	*			trans	70.3	136.4	157.8	-62.9	164	-173	177.3	0	116.5
420	L	34.1	Very low	34.5	Very low	139 Å²	139	131.4 Å²	131.4	73%	0.728	71%	0.705	S	S	*	*			cis	-152.5	-168.3	-5.6	-107.8	167	0	0	0	106.6	M422	L420-M422 HydrophobicContact CD2-CG 3.93Å
421	N	34.5	Very low	34	Very low	128 Å²	128	131.4 Å²	131.4	68%	0.684	71%	0.707	S	S	*	*			cis	-148.5	169.5	14.2	-135.5	43.5	0	0	0	106.1
422	M	28.6	Very low	34	Very low	133 Å²	133	133.7 Å²	133.7	66%	0.655	72%	0.718	S	S	*	*			cis	74.1	123.4	25.7	-48.3	-68.2	88.9	0	0	114.3	L420	L420-M422 HydrophobicContact CD2-CG 3.93Å
423	C	31.7	Very low	33.6	Very low	112 Å²	112	131 Å²	131	76%	0.757	71%	0.709	S	S	*	*			cis	-145.4	142.2	-2.7	-96.2	0	0	0	0	112.2
424	D	36.9	Very low	33.9	Very low	148 Å²	148	132 Å²	132	79%	0.791	71%	0.712	S	S	*	*			trans	-68	164.5	151.6	-137.8	-2.6	0	0	0	108.4
425	P	42	Very low	33.7	Very low	95 Å²	95	132.4 Å²	132.4	62%	0.617	71%	0.711	S	S	*	*				-159.1	-179	52.9	43.6	-20.6	0	0	0	119.5
426	N	29.9	Very low	33.5	Very low	116 Å²	116	130 Å²	130	62%	0.62	70%	0.703	S	S	*	*			trans	84.6	134	132.2	-85	-17.5	0	0	0	123.5
427	H	30.8	Very low	33.4	Very low	161 Å²	161	129 Å²	129	75%	0.745	71%	0.711	S	S	*	*			trans	71.4	141	138.2	-66.8	-34.8	0	0	0	119.4
428	T	34.5	Very low	33.3	Very low	116 Å²	116	131 Å²	131	71%	0.712	71%	0.713	S	S	*	*			cis	-158.6	154.9	-3.2	-111.5	0	0	0	0	112.6
429	T	31.7	Very low	33.1	Very low	120 Å²	120	135.1 Å²	135.1	74%	0.736	72%	0.721	S	S	*	*			trans	-64.9	163	171.5	43.2	0	0	0	0	111.7
430	P	35.2	Very low	32.9	Very low	110 Å²	110	131.9 Å²	131.9	71%	0.714	72%	0.717	S	S	*	*			cis	-154.4	-168.9	41.4	43.9	-21	0	0	0	117.9
431	N	27.1	Very low	32.9	Very low	142 Å²	142	136.2 Å²	136.2	76%	0.759	72%	0.724	S	S	*	*			trans	-35.4	143.5	158.9	-44.2	-87.5	0	0	0	114.9
432	L	29.9	Very low	32.9	Very low	176 Å²	176	135.6 Å²	135.6	92%	0.921	73%	0.725	S	S	*	*				-177.4	139.5	108.8	-97.1	155.6	0	0	0	115.1
433	H	29.1	Very low	33.1	Very low	144 Å²	144	136.3 Å²	136.3	67%	0.667	73%	0.731	S	S	*	*			trans	-81	167.4	160.7	-172.7	-106	0	0	0	108.7
434	P	37.6	Very low	33.1	Very low	103 Å²	103	134.6 Å²	134.6	67%	0.669	72%	0.721	S	S	*	*			cis	-113.5	-178.9	13.7	8.5	19.4	0	0	0	113.5
435	E	31.5	Very low	32.9	Very low	159 Å²	159	134.8 Å²	134.8	74%	0.743	72%	0.722	S	S	*	*			cis	73.1	160.8	40.1	-143.7	-131	-137.3	0	0	115.9
436	C	30.4	Very low	32.5	Very low	77 Å²	77	134.4 Å²	134.4	52%	0.52	72%	0.721	S	S	.	*			trans	82.4	91	162.2	-152.5	0	0	0	0	121.6
437	A	33.8	Very low	32.6	Very low	93 Å²	93	135.6 Å²	135.6	77%	0.769	73%	0.727	S	S	*	*			trans	-135	85.9	134.1	0	0	0	0	0	109.7
438	R	33	Very low	32.7	Very low	203 Å²	203	134.4 Å²	134.4	77%	0.766	73%	0.726	S	S	*	*				77	134	100.1	-70.7	159.5	-162.3	178.2	4.1	113
439	K	35.8	Very low	32.5	Very low	175 Å²	175	135.6 Å²	135.6	76%	0.761	73%	0.728	S	S	*	*			cis	-162.4	137.4	30.9	-123.5	153.3	-177.1	178.5	0	112.2
440	T	33.3	Very low	32.5	Very low	119 Å²	119	134.5 Å²	134.5	73%	0.73	73%	0.725	S	S	*	*			trans	45.8	147.4	138.9	59.3	0	0	0	0	121.1
441	R	33	Very low	32.3	Very low	230 Å²	230	137 Å²	137	87%	0.868	73%	0.732	S	S	*	*			cis	-166	127.6	34.7	-147.7	166	-174.6	-179.5	1.7	106.6
442	V	34.4	Very low	32.5	Very low	116 Å²	116	134.9 Å²	134.9	70%	0.703	73%	0.728	S	S	*	*				89.6	130.2	56.4	167.3	0	0	0	0	114.5
443	N	32.8	Very low	32.7	Very low	148 Å²	148	135.1 Å²	135.1	79%	0.791	72%	0.718	S	S	*	*			trans	74.9	148.7	165.8	-77.8	11.4	0	0	0	121
444	S	33	Very low	33	Very low	76 Å²	76	134.7 Å²	134.7	53%	0.531	71%	0.714	S	S	.	*			cis	-178	149.8	-19.5	51.2	0	0	0	0	113.3
445	N	32.4	Very low	32.9	Very low	152 Å²	152	140.1 Å²	140.1	81%	0.813	72%	0.721	S	S	*	*			trans	68.8	151.2	151.6	-59.1	-4.6	0	0	0	119.7
446	S	32.9	Very low	33.1	Very low	87 Å²	87	140 Å²	140	61%	0.608	72%	0.721	S	S	*	*			cis	-174.7	152.1	-17.9	52.1	0	0	0	0	112.8
447	N	32.7	Very low	33.3	Very low	140 Å²	140	141.8 Å²	141.8	75%	0.749	73%	0.733	S	S	*	*			trans	73	152.8	156	-55.9	-13.4	0	0	0	120.4
448	L	32.3	Very low	33.3	Very low	136 Å²	136	143.7 Å²	143.7	71%	0.712	73%	0.73	S	S	*	*			cis	-167.5	157	-21	-103.9	172.5	0	0	0	110.7
449	N	31.3	Very low	33.3	Very low	142 Å²	142	140.7 Å²	140.7	76%	0.759	73%	0.729	S	S	*	*			trans	64.8	156.5	156.5	-64	-10.5	0	0	0	121.4
450	S	31.4	Very low	33.1	Very low	97 Å²	97	142.6 Å²	142.6	68%	0.678	73%	0.731	S	S	*	*			cis	-172.4	144.8	-23.2	55.5	0	0	0	0	115.2
451	L	31.2	Very low	33.2	Very low	163 Å²	163	143.3 Å²	143.3	85%	0.853	73%	0.73	S	S	*	*			trans	64.7	136.1	142.7	-78	165.7	0	0	0	126.6
452	S	31.5	Very low	33.4	Very low	96 Å²	96	138.6 Å²	138.6	67%	0.671	72%	0.722	S	S	*	*			trans	81.2	160.9	146.9	86	0	0	0	0	119.6
453	Y	33	Very low	33.5	Very low	182 Å²	182	140 Å²	140	71%	0.714	73%	0.726	S	S	*	*			cis	-163.6	142.1	6.1	-132.4	-23.3	0	0	0	114.7
454	K	35.3	Very low	33.7	Very low	135 Å²	135	135.7 Å²	135.7	59%	0.587	72%	0.716	S	S	*	*			trans	55	172.2	146	-88.2	167.3	-173.9	164.4	0	119.2
455	R	37	Very low	34.1	Very low	216 Å²	216	139.1 Å²	139.1	82%	0.815	73%	0.729	S	S	*	*			cis	-153.4	142.3	12.9	-140.1	159.8	-174.1	154.1	-4.2	114.5
456	H	35.4	Very low	34.5	Very low	158 Å²	158	137 Å²	137	73%	0.731	72%	0.718	S	S	*	*			trans	-5.2	151.8	146.3	-60.6	-105.9	0	0	0	123.8
457	S	33.9	Very low	35	Very low	113 Å²	113	138.7 Å²	138.7	79%	0.79	72%	0.72	S	S	*	*			trans	-163.3	141	133.9	-173.6	0	0	0	0	110.5
458	L	33.4	Very low	35.5	Very low	134 Å²	134	138.6 Å²	138.6	70%	0.702	72%	0.718	S	S	*	*			cis	-166.3	149.1	-27.9	-113.6	178	0	0	0	110
459	L	33.8	Very low	36.1	Very low	140 Å²	140	139.1 Å²	139.1	73%	0.733	72%	0.716	S	S	*	*			trans	68.5	151.9	161.4	-54.6	162.9	0	0	0	117.4
460	R	30.6	Very low	36.6	Very low	215 Å²	215	139.4 Å²	139.4	81%	0.811	72%	0.717	S	S	*	*			cis	-150	137.9	1.3	-143	176	-168.8	-161.8	4.2	112.7
461	N	35.9	Very low	37.2	Very low	133 Å²	133	141.2 Å²	141.2	71%	0.711	72%	0.718	S	S	*	*			trans	0.7	146.6	156.2	-48.9	17.6	0	0	0	119.7
462	N	36.9	Very low	37.8	Very low	132 Å²	132	139 Å²	139	71%	0.706	71%	0.708	S	S	*	*			cis	-171.4	179.4	0.5	-98.4	24.6	0	0	0	105.9
463	N	37	Very low	38.3	Very low	146 Å²	146	140.5 Å²	140.5	78%	0.781	70%	0.704	S	S	*	*			cis	-165.8	-177.7	-16.2	-98.8	20.1	0	0	0	105.8
464	G	37.6	Very low	38.7	Very low	57 Å²	57	139.5 Å²	139.5	59%	0.588	71%	0.706	S	S	*	*			cis	161.9	163	-2.2	0	0	0	0	0	111.1
465	N	39.9	Very low	38.8	Very low	147 Å²	147	137.8 Å²	137.8	79%	0.786	71%	0.711	S	S	*	*			trans	65	166.3	175.8	-67	71.7	0	0	0	116.2
466	N	41.4	Very low	38.8	Very low	109 Å²	109	133.6 Å²	133.6	58%	0.583	70%	0.704	S	S	*	*			cis	-145	163.3	-4.6	-120.3	16.5	0	0	0	107.3
467	N	43	Very low	38.7	Very low	122 Å²	122	135.3 Å²	135.3	65%	0.652	71%	0.706	S	S	*	*			cis	78.3	129.8	33.2	-49.7	-39.1	0	0	0	114.8
468	I	44.9	Very low	38.8	Very low	138 Å²	138	137.4 Å²	137.4	71%	0.708	70%	0.703	S	S	*	*			cis	-161.3	173.5	-7.2	-155.9	166.1	0	0	0	112.2
469	E	42.9	Very low	38.9	Very low	146 Å²	146	135.2 Å²	135.2	68%	0.682	70%	0.699	S	S	*	*			trans	-113.2	-175.1	-165.6	-59.3	82	-170.2	0	0	115.4
470	L	43.2	Very low	38.8	Very low	149 Å²	149	133.3 Å²	133.3	78%	0.78	70%	0.697	S	S	*	*			cis	-173.6	176	-48	-173.1	55.5	0	0	0	110.1
471	L	43.3	Very low	38.9	Very low	134 Å²	134	129.3 Å²	129.3	70%	0.702	70%	0.701	S	S	*	*			trans	95.9	148.5	147.3	-133.1	72.6	0	0	0	123.5
472	D	43.6	Very low	38.9	Very low	117 Å²	117	132.5 Å²	132.5	63%	0.626	71%	0.708	S	S	*	*			trans	71.3	148.7	149.5	-79.5	-9.9	0	0	0	124.3
473	Q	43.2	Very low	39.1	Very low	128 Å²	128	132.3 Å²	132.3	60%	0.598	71%	0.714	S	S	*	*			cis	-166.4	149.7	-18.1	-133.6	173.6	70.4	0	0	113.6
474	Q	40	Very low	39.1	Very low	161 Å²	161	136.5 Å²	136.5	75%	0.752	72%	0.719	S	S	*	*			trans	58.9	162.1	152.3	-78.2	161	21	0	0	122.9
475	S	39	Very low	39.1	Very low	99 Å²	99	138.8 Å²	138.8	69%	0.692	73%	0.726	S	S	*	*			cis	166.3	154.9	-32.9	63.6	0	0	0	0	109.3
476	D	35.3	Very low	38.9	Very low	127 Å²	127	141 Å²	141	68%	0.679	73%	0.729	S	S	*	*			cis	-162.7	-161.6	-7.3	-152.4	-93.4	0	0	0	110.2
477	Y	34.8	Very low	38.7	Very low	194 Å²	194	140.6 Å²	140.6	76%	0.761	74%	0.74	S	S	*	*			trans	74	146.4	169.5	-53.6	-64.8	0	0	0	117.6
478	H	34.9	Very low	38.5	Very low	158 Å²	158	139.6 Å²	139.6	73%	0.731	74%	0.743	S	S	*	*			cis	-174.5	173.3	-14.6	-113.2	14.1	0	0	0	108.4
479	S	34.7	Very low	38.2	Very low	87 Å²	87	140.3 Å²	140.3	61%	0.608	75%	0.747	S	S	*	*			cis	-172.6	-168.7	-16	59.4	0	0	0	0	110.8
480	S	33.5	Very low	37.8	Very low	101 Å²	101	138.4 Å²	138.4	71%	0.706	74%	0.742	S	S	*	*			trans	91.3	117.9	150.9	-59.8	0	0	0	0	123.4
481	C	31.8	Very low	37.5	Very low	131 Å²	131	139 Å²	139	89%	0.885	74%	0.738	S	S	*	*			trans	92.4	159.2	139.7	-67.9	0	0	0	0	122.8
482	K	37	Very low	37.1	Very low	199 Å²	199	137.4 Å²	137.4	87%	0.865	74%	0.738	S	S	*	*			trans	-135.8	158.9	-149.8	-69.8	-175.7	174.6	-178.3	0	116.7
483	P	40.7	Very low	36.6	Very low	128 Å²	128	143.5 Å²	143.5	83%	0.831	75%	0.752	S	S	*	*			trans	-99	-172.8	161.4	40.1	-34.9	0	0	0	114.3
484	R	36.3	Very low	36.1	Very low	235 Å²	235	145.5 Å²	145.5	89%	0.887	77%	0.765	S	S	*	*			trans	-161.7	140.1	-169.4	-164.4	-171.2	-176.2	-162.2	4	117.5
485	S	37.6	Very low	35.7	Very low	104 Å²	104	145.3 Å²	145.3	73%	0.727	77%	0.77	S	S	*	*			trans	78.4	163.3	159.1	85	0	0	0	0	118.9
486	K	35.8	Very low	35.4	Very low	194 Å²	194	147.4 Å²	147.4	84%	0.843	77%	0.773	S	S	*	*			cis	-159.6	163.5	5.5	-146.2	168.6	-173.9	176.3	0	112.6
487	A	38.1	Very low	35.3	Very low	100 Å²	100	152.4 Å²	152.4	83%	0.826	78%	0.783	S	S	*	*			trans	67.3	155.2	162.8	0	0	0	0	0	119.1
488	S	37.3	Very low	35.1	Very low	101 Å²	101	148.7 Å²	148.7	71%	0.706	79%	0.785	S	S	*	*			cis	-168.4	153.6	-26.5	-169.5	0	0	0	0	111.2
489	L	39.4	Very low	34.8	Very low	154 Å²	154	146.6 Å²	146.6	81%	0.806	79%	0.788	S	S	*	*			trans	63.5	150.1	166.4	-66.6	154.6	0	0	0	117.8
490	D	34.9	Very low	34.7	Very low	106 Å²	106	149.5 Å²	149.5	57%	0.567	80%	0.795	S	S	*	*			cis	-163.4	166.2	-26.9	-157.6	-7.2	0	0	0	110.5
491	K	36.6	Very low	34.6	Very low	162 Å²	162	149.5 Å²	149.5	70%	0.704	80%	0.795	S	S	*	*			trans	52.9	82.9	155.9	-78.3	146.6	-166.9	146	0	121.6
492	S	35	Very low	34.6	Very low	100 Å²	100	150.4 Å²	150.4	70%	0.699	79%	0.786	S	S	*	*				75.4	148.6	105.7	76.7	0	0	0	0	123.5
493	R	32.8	Very low	34.3	Very low	244 Å²	244	150.4 Å²	150.4	92%	0.921	78%	0.781	S	S	*	*			trans	69.4	74.7	158.3	-68.6	-179.1	177.7	177.8	-0.3	118
494	I	33.5	Very low	33.9	Very low	170 Å²	170	151.6 Å²	151.6	87%	0.872	77%	0.773	S	S	*	*			trans	-82.5	126.2	146.8	-62.7	171.7	0	0	0	108.3
495	N	31.7	Very low	33.9	Very low	158 Å²	158	147.6 Å²	147.6	85%	0.845	76%	0.762	S	S	*	*			trans	-160	90.2	149.2	-150.7	12.3	0	0	0	110
496	N	31.3	Very low	33.7	Very low	143 Å²	143	153.4 Å²	153.4	77%	0.765	77%	0.768	S	S	*	*			trans	-166.5	151.6	169.5	-127	-46.1	0	0	0	114.7
497	R	34.2	Very low	33.6	Very low	232 Å²	232	149.1 Å²	149.1	88%	0.875	76%	0.763	S	S	*	*			trans	64.3	125.7	161.9	-65.1	-175.2	175	-177.9	-3.1	120.3
498	S	29.6	Very low	33.6	Very low	115 Å²	115	153.5 Å²	153.5	80%	0.804	76%	0.763	S	S	*	*			trans	-85.3	174.8	157.9	51.1	0	0	0	0	112
499	S	28.6	Very low	33.6	Very low	114 Å²	114	153.4 Å²	153.4	80%	0.797	76%	0.763	S	S	*	*			trans	79.9	164.5	170.7	-156.2	0	0	0	0	117.2
500	I	33.5	Very low	33.5	Very low	148 Å²	148	154 Å²	154	76%	0.759	76%	0.759	S	S	*	*			trans	69.1	103.5	-176	-49.8	172.6	0	0	0	111.6
501	S	30.7	Very low	33.9	Very low	101 Å²	101	155.7 Å²	155.7	71%	0.706	76%	0.763	S	S	*	*			cis	84.3	153.1	43.6	92.3	0	0	0	0	115
502	E	32.9	Very low	33.9	Very low	151 Å²	151	153.1 Å²	153.1	71%	0.706	76%	0.761	S	S	*	*			trans	76.4	128.6	-171	-51.3	-127.7	101.5	0	0	115.4
503	R	29.4	Very low	34	Very low	199 Å²	199	155.6 Å²	155.6	75%	0.751	77%	0.765	S	S	*	*			cis	98.3	107.2	19	-172.4	-151.1	-144.9	165.8	6.4	113.4
504	F	33.9	Very low	34.3	Very low	152 Å²	152	148.3 Å²	148.3	67%	0.667	74%	0.74	S	S	*	*			trans	177.8	135	136.5	-106.1	-150.6	0	0	0	112.8
505	K	36	Very low	34.6	Very low	151 Å²	151	143.9 Å²	143.9	66%	0.657	72%	0.716	S	S	*	*			trans	39.5	139.2	133.3	-62.2	170.8	-168.3	163.2	0	119.6
506	R	32.9	Very low	34.6	Very low	226 Å²	226	139.9 Å²	139.9	85%	0.853	70%	0.699	S	S	*	*			cis	-158.4	140.8	9.8	-96.9	150.4	166.4	175.5	-7.6	105.8
507	S	34.2	Very low	34.8	Very low	105 Å²	105	134.2 Å²	134.2	73%	0.734	68%	0.675	S	S	*	*				84.1	130.3	57.1	-167.4	0	0	0	0	115.5
508	K	37.3	Very low	35	Very low	192 Å²	192	127.8 Å²	127.8	84%	0.835	67%	0.665	S	S	*	*			trans	85.2	122.1	179.1	-55.9	-175.1	-179.8	-173.8	0	115
509	S	36.6	Very low	35.1	Very low	99 Å²	99	129.2 Å²	129.2	69%	0.692	66%	0.664	S	S	*	*			cis	83.9	132.3	38.1	81.3	0	0	0	0	113.3
510	K	38.6	Very low	35.4	Very low	167 Å²	167	132.8 Å²	132.8	73%	0.726	67%	0.668	S	S	*	*				-170.2	152.2	57.9	-110.1	-173.2	172.5	-141.8	0	113.9
511	Q	41.9	Very low	35.4	Very low	140 Å²	140	133.1 Å²	133.1	65%	0.654	67%	0.668	S	S	*	*				48.9	152.8	128.5	-67.8	-173.9	-71.7	0	0	122.7
512	T	37.5	Very low	35.8	Very low	108 Å²	108	137.5 Å²	137.5	66%	0.663	67%	0.674	S	S	*	*			cis	-155.7	175.2	-0.2	11.3	0	0	0	0	109.1
513	I	37.9	Very low	36.2	Very low	152 Å²	152	135.9 Å²	135.9	78%	0.779	68%	0.675	S	S	*	*			cis	70.9	139.2	43.7	-108.1	173.9	0	0	0	114.3
514	K	37.5	Very low	36.4	Very low	92 Å²	92	134.4 Å²	134.4	40%	0.4	68%	0.68	S	S	.	*			cis	-159.1	161.4	32.7	-160.9	-170	170.8	-151.6	0	113.6	E394 I395	E394-K514 WeakPolarHBondContact O-CE 3.14Å; E394-K514 IonicContact OE2-NZ 2.71Å; E394-K514 PolarHBondContact OE2-NZ 3.3Å; I395-K514 WeakPolarHBondContact O-CG 3.23Å
515	Q	39.6	Very low	36.4	Very low	77 Å²	77	132.4 Å²	132.4	36%	0.36	68%	0.683	S	S	.	*			trans	64.3	159.1	157.9	-93	166.8	-32.8	0	0	118.9	E394 I395 S396	E394-Q515 VanDerWaalsContact CD-NE2 3.29Å; E394-Q515 PolarHBondContact OE1-NE2 3.45Å; E394-Q515 PolarHBondContact OE2-NE2 3.2Å; I395-Q515 HydrophobicContact CB-CG 3.77Å; I395-Q515 HydrophobicContact CG2-CB 4.42Å; I395-Q515 HydrophobicContact CG2-CG 3.43Å; I395-Q515 VanDerWaalsContact CG2-CG 3.43Å; S396-Q515 WeakPolarHBondContact O-CA 3.25Å
516	C	32.8	Very low	36.4	Very low	74 Å²	74	131 Å²	131	50%	0.5	69%	0.687	S	S	.	*			cis	-162.9	175.9	-2.5	-135.8	0	0	0	0	109.4	S398	S398-C516 PolarHBondContact OG-O 2.79Å
517	G	35.4	Very low	36.4	Very low	24 Å²	24	130.9 Å²	130.9	25%	0.247	69%	0.687	C	S	.	*			cis	170.1	147.5	-26.7	0	0	0	0	0	119.4	S398	S398-G517 PolarHBondContact OG-N 2.79Å; S398-G517 VanDerWaalsContact OG-N 3.08Å
518	S	38.1	Very low	36.5	Very low	96 Å²	96	132.3 Å²	132.3	67%	0.671	69%	0.691	S	S	*	*			trans	69.7	167.5	162.1	75.7	0	0	0	0	120.3	Q397	Q397-S518 VanDerWaalsContact NE2-N 3.17Å
519	N	32.7	Very low	36.4	Very low	146 Å²	146	130.7 Å²	130.7	78%	0.781	69%	0.69	S	S	*	*			cis	-178.7	139.3	-34.9	-89.3	-16.7	0	0	0	108
520	E	35.1	Very low	36.5	Very low	188 Å²	188	131.2 Å²	131.2	88%	0.879	69%	0.691	S	S	*	*			trans	-167.4	171.7	147.7	-124.8	-168.3	-172.4	0	0	116.1
521	M	32.9	Very low	36.6	Very low	155 Å²	155	129.4 Å²	129.4	76%	0.764	70%	0.696	S	S	*	*			trans	-119	145	-160.6	-58.6	159.5	71.9	0	0	115.1
522	K	39.3	Very low	36.2	Very low	193 Å²	193	134.6 Å²	134.6	84%	0.839	71%	0.71	S	S	*	*			trans	-156.5	114.6	151	-89.1	118.2	-176.4	165.7	0	107.3
523	V	39.8	Very low	36.2	Very low	118 Å²	118	138.1 Å²	138.1	72%	0.715	72%	0.719	S	S	*	*			cis	74.3	83.4	48.8	-172.8	0	0	0	0	113.5
524	L	35.1	Very low	36.1	Very low	167 Å²	167	142.7 Å²	142.7	87%	0.874	73%	0.726	S	S	*	*				179.8	151.3	127.4	-93	158.2	0	0	0	111.3
525	P	33.5	Very low	35.8	Very low	111 Å²	111	148.6 Å²	148.6	72%	0.721	75%	0.748	S	S	*	*			trans	-108.1	-166.9	-173.3	42.8	-36.2	0	0	0	113.4
526	T	36.6	Very low	35.6	Very low	121 Å²	121	150.5 Å²	150.5	74%	0.742	77%	0.77	S	S	*	*			trans	118.9	130.4	166.7	-58.9	0	0	0	0	111.9
527	R	33	Very low	35.6	Very low	224 Å²	224	157.6 Å²	157.6	85%	0.845	79%	0.786	S	S	*	*			cis	-152.6	152.7	0.5	-138.5	170	-172.2	140.8	-0.9	110.6
528	V	34.4	Very low	35.5	Very low	135 Å²	135	168 Å²	168	82%	0.818	82%	0.818	S	S	*	*			trans	-90.7	144.6	163.4	177.4	0	0	0	0	110.1
529	L	36.8	Very low	35.4	Very low	158 Å²	158	168 Å²	168	83%	0.827	82%	0.818	S	S	*	*			trans	-105.3	133.5	173.1	-71.4	175.8	0	0	0	111.5
530	P	37.8	Very low	35.6	Very low	109 Å²	109	169.3 Å²	169.3	71%	0.708	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-93.1	157.5	-178.8	36	-35.3	0	0	0	113.8
531	P	40.5	Very low	35.7	Very low	129 Å²	129	165.9 Å²	165.9	84%	0.838	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-65.5	146	175.6	-21	33.5	0	0	0	114.1
532	R	34.9	Very low	35.8	Very low	249 Å²	249	170.2 Å²	170.2	94%	0.94	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-80.2	135.9	175.1	-78.7	178.4	163.8	179.7	-4.6	112.1
533	Q	35.8	Very low	35.6	Very low	183 Å²	183	166.9 Å²	166.9	86%	0.855	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-92.9	153.6	164.6	-68.2	-177.6	-16.1	0	0	111.7
534	R	36.1	Very low	35.4	Very low	247 Å²	247	170 Å²	170	93%	0.932	83%	0.831	S	S	*	*			trans	-120.1	151.6	152	-82.9	-168.4	174.6	-164.5	1.2	109.5
535	Y	32.5	Very low	35.5	Very low	217 Å²	217	167.5 Å²	167.5	85%	0.851	82%	0.824	S	S	*	*			trans	-68.6	163.4	-179.6	-67.9	-95.5	0	0	0	110.9
536	S	34.5	Very low	35.6	Very low	117 Å²	117	169.9 Å²	169.9	82%	0.818	83%	0.829	S	S	*	*			cis	-159.1	159.9	29.8	94.5	0	0	0	0	111.6
537	R	32.4	Very low	35.6	Very low	223 Å²	223	170.2 Å²	170.2	84%	0.842	83%	0.831	S	S	*	*			cis	-154.7	126.6	-16.2	-171.5	-179.2	-167.5	-171	5.1	107.4
538	W	33.3	Very low	35.9	Very low	243 Å²	243	166.1 Å²	166.1	92%	0.92	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-71.8	151.2	-177	-89.8	77.8	0	0	0	114.2
539	S	37.1	Very low	36.1	Very low	96 Å²	96	164.5 Å²	164.5	67%	0.671	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-71.3	167.2	168.1	43.6	0	0	0	0	112.3
540	L	36.7	Very low	35.9	Very low	172 Å²	172	163.8 Å²	163.8	90%	0.901	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-75.4	141.5	-178.4	-71.2	164.5	0	0	0	112.1
541	P	37.4	Very low	35.8	Very low	117 Å²	117	165.1 Å²	165.1	76%	0.76	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-86.7	164.4	-167.1	34.9	-38.2	0	0	0	115.1
542	R	34.3	Very low	35.6	Very low	245 Å²	245	166.7 Å²	166.7	93%	0.925	82%	0.819	S	S	*	*			trans	-147.1	153.6	164.3	-114.3	179.6	-90.7	-109.6	1.5	111
543	P	35.7	Very low	35.6	Very low	123 Å²	123	161.2 Å²	161.2	80%	0.799	81%	0.808	S	S	*	*			trans	-100.1	175.7	-162.2	39.6	-36.8	0	0	0	115.7
544	H	34.8	Very low	35.5	Very low	185 Å²	185	160 Å²	160	86%	0.856	81%	0.808	S	S	*	*			trans	-82.5	162.5	-178.4	-70.8	-82.6	0	0	0	115
545	P	37.6	Very low	35.6	Very low	114 Å²	114	158.4 Å²	158.4	74%	0.74	81%	0.808	S	S	*	*			trans	-106.4	-146.2	-173.9	44	-36.9	0	0	0	113.9
546	I	35.8	Very low	35.5	Very low	160 Å²	160	156.9 Å²	156.9	82%	0.821	81%	0.808	S	S	*	*			trans	93	138.1	-164.3	-57.4	170.2	0	0	0	109.5
547	T	36.3	Very low	35.4	Very low	129 Å²	129	159.3 Å²	159.3	79%	0.791	81%	0.807	S	S	*	*			cis	-138.2	-172.5	32.1	-24.7	0	0	0	0	113.4
548	V	39.4	Very low	35.5	Very low	137 Å²	137	154.9 Å²	154.9	83%	0.83	80%	0.8	S	S	*	*			trans	-141.6	175.1	178	-136.9	0	0	0	0	107.3
549	S	37.6	Very low	35.4	Very low	102 Å²	102	151.5 Å²	151.5	71%	0.713	79%	0.794	S	S	*	*			cis	-153.4	-171.7	16.9	64.4	0	0	0	0	113.8
550	N	32.6	Very low	35.2	Very low	143 Å²	143	157.3 Å²	157.3	77%	0.765	80%	0.802	S	S	*	*			trans	-86.6	-168.2	164.6	-50.7	-44.1	0	0	0	109.9
551	L	36.8	Very low	34.9	Very low	137 Å²	137	155.2 Å²	155.2	72%	0.717	79%	0.792	S	S	*	*			cis	-162	-176.2	12	-168.7	59.9	0	0	0	110.4
552	E	35.5	Very low	34.8	Very low	161 Å²	161	153.1 Å²	153.1	75%	0.752	79%	0.791	S	S	*	*			trans	86	145.1	154.7	-54.1	-165.5	104.8	0	0	120
553	N	36.4	Very low	34.6	Very low	134 Å²	134	151.9 Å²	151.9	72%	0.717	79%	0.786	S	S	*	*			cis	-166.3	144.6	-33.8	-107.2	-21.5	0	0	0	109.1
554	D	32.5	Very low	34.5	Very low	159 Å²	159	152.8 Å²	152.8	85%	0.85	78%	0.784	S	S	*	*			trans	-86.3	136.8	177.9	-78.6	-55.6	0	0	0	113.8
555	K	38.1	Very low	34.5	Very low	212 Å²	212	149.5 Å²	149.5	92%	0.922	78%	0.777	S	S	*	*				-177	150.2	127.4	-101	160.9	-174.7	179.9	0	113.3
556	Q	30.2	Very low	34.2	Very low	185 Å²	185	150.7 Å²	150.7	86%	0.864	78%	0.777	S	S	*	*			trans	-96.3	149.1	172.3	-63.3	174.2	-38.2	0	0	110.3
557	E	33.9	Very low	34	Very low	169 Å²	169	150.2 Å²	150.2	79%	0.79	77%	0.771	S	S	*	*				179.6	131.1	109.4	-93.9	-171.1	151.5	0	0	113.3
558	N	34.5	Very low	33.9	Very low	129 Å²	129	149.2 Å²	149.2	69%	0.69	77%	0.765	S	S	*	*			trans	51.8	104.2	139.1	-49.4	-24.3	0	0	0	122.2
559	E	31.4	Very low	33.4	Very low	172 Å²	172	148.2 Å²	148.2	80%	0.804	76%	0.759	S	S	*	*				30.3	127.4	127	-54.7	-168.1	127.7	0	0	121.9
560	W	31.4	Very low	33.1	Very low	218 Å²	218	150 Å²	150	83%	0.826	76%	0.761	S	S	*	*				-172.3	138.8	95.3	-116.5	-2.7	0	0	0	116.6
561	N	31.7	Very low	32.8	Very low	129 Å²	129	152.5 Å²	152.5	69%	0.69	76%	0.759	S	S	*	*			trans	53.3	132.9	140.5	-64	-28.4	0	0	0	124.9
562	G	34	Very low	32.3	Very low	72 Å²	72	155.5 Å²	155.5	74%	0.742	76%	0.761	S	S	*	*			trans	121.4	69.8	152.8	0	0	0	0	0	115.4
563	R	30.7	Very low	32.1	Very low	220 Å²	220	155.6 Å²	155.6	83%	0.83	76%	0.759	S	S	*	*				78.1	139.4	61	-158.1	-158.5	-78.8	-163.8	-2.9	113.6
564	N	34.5	Very low	31.8	Very low	142 Å²	142	154 Å²	154	76%	0.759	75%	0.748	S	S	*	*			trans	85.4	135.2	178.2	-54.3	-12.1	0	0	0	113.5
565	T	34.6	Very low	31.8	Very low	115 Å²	115	156 Å²	156	71%	0.706	74%	0.743	S	S	*	*			cis	-159.5	130.7	-3.8	-81.2	0	0	0	0	106
566	L	31.4	Very low	31.6	Very low	139 Å²	139	151.8 Å²	151.8	73%	0.728	73%	0.725	S	S	*	*				50.8	141.1	102.9	-104.8	73.9	0	0	0	115.1
567	E	31	Very low	31.8	Very low	150 Å²	150	153.4 Å²	153.4	70%	0.701	73%	0.725	S	S	*	*			cis	-168.1	179.4	6.4	-149.8	167.5	-150.8	0	0	113.1
568	T	33.2	Very low	31.8	Very low	109 Å²	109	149.6 Å²	149.6	67%	0.669	71%	0.71	S	S	*	*			trans	53.1	113.6	155	52	0	0	0	0	122.9
569	T	28.6	Very low	32	Very low	116 Å²	116	153 Å²	153	71%	0.712	72%	0.718	S	S	*	*				-0.6	144.1	124.4	53.7	0	0	0	0	121.3
570	N	31.8	Very low	32.2	Very low	138 Å²	138	150.8 Å²	150.8	74%	0.738	71%	0.712	S	S	*	*			trans	127.4	152.1	149.4	-76	-68.8	0	0	0	112.3
571	R	26.8	Very low	32.3	Very low	197 Å²	197	147.4 Å²	147.4	74%	0.743	71%	0.71	S	S	*	*			cis	146.7	117.4	-16.2	179.6	-178.5	-159.1	-169.7	8.6	105.9
572	R	26.5	Very low	32.3	Very low	199 Å²	199	148 Å²	148	75%	0.751	72%	0.718	S	S	*	*			trans	72.2	130.4	165.1	-76.1	174.1	164.2	170.4	-3.7	121
573	K	31.3	Very low	32.2	Very low	163 Å²	163	148.1 Å²	148.1	71%	0.709	71%	0.712	S	S	*	*			trans	67.1	164.8	132.7	-67.4	174.1	151.3	-128	0	116.6
574	E	30.3	Very low	32.2	Very low	102 Å²	102	145 Å²	145	48%	0.477	71%	0.707	S	S	.	*			cis	-153.2	172.9	-2.8	-130.5	168.3	-121.7	0	0	106.6
575	R	32.5	Very low	32.1	Very low	200 Å²	200	148 Å²	148	76%	0.755	71%	0.708	S	S	*	*			cis	-142.4	165.1	24.2	-80.5	-149.2	161.3	117.2	19.5	110.8
576	K	34.3	Very low	31.8	Very low	124 Å²	124	148.6 Å²	148.6	54%	0.539	71%	0.707	S	S	.	*			cis	86.8	109.2	28.2	-159.9	-156.6	-160.8	-59.2	0	114.7	D578	K576-D578 WeakPolarHBondContact CG-OD2 3.36Å; K576-D578 IonicContact NZ-OD1 2.8Å; K576-D578 PolarHBondContact NZ-OD1 3.14Å; K576-D578 IonicContact NZ-OD2 2.58Å; K576-D578 PolarHBondContact NZ-OD2 2.96Å
577	Y	33.9	Very low	32	Very low	219 Å²	219	149.6 Å²	149.6	86%	0.859	71%	0.707	S	S	*	*			trans	-179.1	94.8	155.2	-96.6	-64.3	0	0	0	105.6
578	D	33.5	Very low	32	Very low	89 Å²	89	145.6 Å²	145.6	48%	0.476	71%	0.707	S	S	.	*				75.9	114.8	58.8	-57.2	-39.2	0	0	0	114.4	K576	K576-D578 WeakPolarHBondContact CG-OD2 3.36Å; K576-D578 IonicContact NZ-OD1 2.8Å; K576-D578 PolarHBondContact NZ-OD1 3.14Å; K576-D578 IonicContact NZ-OD2 2.58Å; K576-D578 PolarHBondContact NZ-OD2 2.96Å
579	K	37.9	Very low	31.8	Very low	199 Å²	199	147.7 Å²	147.7	87%	0.865	71%	0.714	S	S	*	*			trans	176.2	144.9	151.6	-104.9	173	-179	178.2	0	109.6
580	D	36.2	Very low	32	Very low	127 Å²	127	149.8 Å²	149.8	68%	0.679	72%	0.715	S	S	*	*			cis	-172.1	157.3	-46.2	-97.9	-33.5	0	0	0	107.2
581	N	33.2	Very low	31.9	Very low	146 Å²	146	149.8 Å²	149.8	78%	0.781	71%	0.714	S	S	*	*			trans	87.4	118.4	175.1	-50.7	-51.7	0	0	0	116.5
582	V	32.1	Very low	32.1	Very low	141 Å²	141	146.9 Å²	146.9	86%	0.855	71%	0.709	S	S	*	*				83.9	130	54.6	169.3	0	0	0	0	111
583	A	33	Very low	32.4	Very low	75 Å²	75	145.3 Å²	145.3	62%	0.62	71%	0.708	S	S	*	*			cis	-147.3	153.2	4.7	0	0	0	0	0	109
584	E	30.8	Very low	32.4	Very low	154 Å²	154	143.6 Å²	143.6	72%	0.72	72%	0.716	S	S	*	*				91.9	151.8	66.6	-158.4	-173.6	-144.7	0	0	113.6
585	W	31.1	Very low	32.3	Very low	206 Å²	206	142.4 Å²	142.4	78%	0.78	73%	0.731	S	S	*	*			trans	67.6	122	179.4	-45.4	83.1	0	0	0	115.8
586	D	29.4	Very low	32.1	Very low	128 Å²	128	140.8 Å²	140.8	68%	0.684	74%	0.737	S	S	*	*			cis	101	141.3	16.9	-155.2	4.4	0	0	0	115.4
587	H	34.3	Very low	32	Very low	159 Å²	159	140 Å²	140	74%	0.736	75%	0.747	S	S	*	*			trans	67.8	158	-179.2	-43	-19	0	0	0	116
588	G	31.6	Very low	32	Very low	67 Å²	67	135.1 Å²	135.1	69%	0.691	74%	0.742	S	S	*	*			cis	169.9	124.9	-10.7	0	0	0	0	0	113.5
589	D	28.3	Very low	31.8	Very low	153 Å²	153	138 Å²	138	82%	0.818	76%	0.756	S	S	*	*			trans	58.6	158.5	155.8	-63.5	-40.2	0	0	0	125.3
590	H	33.3	Very low	31.4	Very low	160 Å²	160	134.6 Å²	134.6	74%	0.741	75%	0.747	S	S	*	*			trans	82.8	108.4	149.4	-72.7	-43.2	0	0	0	124.5
591	L	29.2	Very low	31.1	Very low	138 Å²	138	134.5 Å²	134.5	72%	0.723	75%	0.747	S	S	*	*				77.9	133.5	120.7	-72.9	167.6	0	0	0	123.5
592	Q	32	Very low	31	Very low	135 Å²	135	135.9 Å²	135.9	63%	0.631	75%	0.746	S	S	*	*			trans	78.7	118.9	145.7	-75.6	-175.6	65.7	0	0	122.2
593	K	31.5	Very low	31.1	Very low	167 Å²	167	134.6 Å²	134.6	73%	0.726	73%	0.733	S	S	*	*			trans	69.4	135.1	133.6	-66.2	170.7	177.7	158.1	0	121
594	S	31.1	Very low	31.1	Very low	126 Å²	126	137 Å²	137	88%	0.881	74%	0.736	S	S	*	*			trans	68	167.9	144.2	71.8	0	0	0	0	118.5
595	G	29.8	Very low	31.3	Very low	77 Å²	77	134.3 Å²	134.3	79%	0.794	73%	0.734	S	S	*	*			trans	119.5	97.2	162.2	0	0	0	0	0	115.4
596	L	28.1	Very low	31.6	Very low	166 Å²	166	130.3 Å²	130.3	87%	0.869	73%	0.728	S	S	*	*			trans	-83.5	146	156.4	-70.5	165	0	0	0	109.3
597	S	31.2	Very low	31.9	Very low	109 Å²	109	130 Å²	130	76%	0.762	73%	0.726	S	S	*	*			trans	62.2	148.2	158	-52.9	0	0	0	0	118.4
598	P	34.9	Very low	32	Very low	116 Å²	116	128.2 Å²	128.2	75%	0.753	72%	0.722	S	S	*	*				-130	153.1	100.1	9.2	12.6	0	0	0	112.3
599	L	28.1	Very low	32.1	Very low	148 Å²	148	131.5 Å²	131.5	78%	0.775	72%	0.723	S	S	*	*			cis	84.4	156.1	33.9	-153.5	151.5	0	0	0	112.7
600	L	29.7	Very low	32.4	Very low	128 Å²	128	130 Å²	130	67%	0.67	71%	0.714	S	S	*	*			trans	76.8	120.4	-171.2	-63.1	90.4	0	0	0	113
601	D	30.1	Very low	32.3	Very low	126 Å²	126	128.5 Å²	128.5	67%	0.674	71%	0.712	S	S	*	*			cis	-149.9	170.6	-0.8	-80.8	-43.2	0	0	0	106.8
602	F	31.2	Very low	32.3	Very low	175 Å²	175	127.2 Å²	127.2	77%	0.768	71%	0.713	S	S	*	*			cis	-163	177.2	9.9	-132.5	-155.9	0	0	0	106.4
603	I	33.9	Very low	32.1	Very low	113 Å²	113	127.6 Å²	127.6	58%	0.579	72%	0.718	S	S	*	*			cis	-158.9	174.2	2.3	-155.4	-179	0	0	0	108.8
604	D	34.2	Very low	31.9	Very low	127 Å²	127	126.2 Å²	126.2	68%	0.679	72%	0.718	S	S	*	*			trans	2.4	115.7	152.1	-57.4	1.7	0	0	0	117.8
605	S	34.5	Very low	31.9	Very low	96 Å²	96	127 Å²	127	67%	0.671	71%	0.713	S	S	*	*				97.7	147	76.2	-79.8	0	0	0	0	112.8
606	D	36.9	Very low	31.7	Very low	122 Å²	122	129.3 Å²	129.3	65%	0.652	71%	0.707	S	S	*	*			cis	-158.1	154.7	-3.3	-101.9	-1	0	0	0	108.5
607	N	35.8	Very low	31.6	Very low	122 Å²	122	128.6 Å²	128.6	65%	0.652	70%	0.701	S	S	*	*			trans	52.2	152.4	141.6	-56.5	-2.3	0	0	0	121.3
608	D	36.1	Very low	31.5	Very low	121 Å²	121	129.3 Å²	129.3	65%	0.647	70%	0.701	S	S	*	*			cis	-164.3	163	-16.3	-96.1	-28.7	0	0	0	107.3
609	D	35.1	Very low	31.1	Very low	136 Å²	136	128 Å²	128	73%	0.727	70%	0.695	S	S	*	*			trans	58.6	162	141.7	-77.6	1.4	0	0	0	121.8
610	I	33.8	Very low	31.2	Very low	121 Å²	121	128.4 Å²	128.4	62%	0.621	69%	0.692	S	S	*	*			cis	-155.5	160.5	-24.2	-119.5	171.1	0	0	0	108.1
611	N	32.1	Very low	31.3	Very low	130 Å²	130	129 Å²	129	70%	0.695	70%	0.696	S	S	*	*			trans	42.7	119.3	159.4	-67.4	-3	0	0	0	120.9
612	C	27.9	Very low	31.4	Very low	111 Å²	111	128.1 Å²	128.1	75%	0.75	70%	0.7	S	S	*	*				90.3	163.2	70.7	-71.7	0	0	0	0	113.9
613	I	29.3	Very low	31.4	Very low	143 Å²	143	129.6 Å²	129.6	73%	0.733	70%	0.7	S	S	*	*			trans	75.2	96.4	164.5	-65.8	159.1	0	0	0	115.8
614	D	27.3	Very low	31.5	Very low	137 Å²	137	129 Å²	129	73%	0.733	70%	0.704	S	S	*	*				62.3	172.1	121.3	-47.2	-24.4	0	0	0	121.9
615	D	30.4	Very low	31.3	Very low	142 Å²	142	128 Å²	128	76%	0.759	70%	0.698	S	S	*	*			trans	59.7	119.6	176.8	-68.4	-48.1	0	0	0	118.7
616	N	25.8	Very low	31.2	Very low	127 Å²	127	130 Å²	130	68%	0.679	70%	0.7	S	S	*	*			cis	91.3	134.2	41.6	-172.7	21.5	0	0	0	112.3
617	M	26.8	Very low	30.7	Very low	151 Å²	151	129.2 Å²	129.2	74%	0.744	70%	0.696	S	S	*	*			trans	65.6	146.6	175.8	-55.5	-152.9	151.9	0	0	119.2
618	T	27.1	Very low	30.7	Very low	124 Å²	124	132 Å²	132	76%	0.761	70%	0.703	S	S	*	*			trans	43.8	138.1	138.9	57	0	0	0	0	122
619	S	27.2	Very low	30.3	Very low	89 Å²	89	130.9 Å²	130.9	62%	0.622	70%	0.7	S	S	*	*			cis	176.6	179.2	-2.2	50.9	0	0	0	0	111.6
620	H	29.8	Very low	30	Very low	155 Å²	155	131.9 Å²	131.9	72%	0.718	70%	0.7	S	S	*	*			trans	81.5	135.5	139.2	-96.8	-74.4	0	0	0	121.4
621	N	31.9	Very low	29.8	Very low	142 Å²	142	130.9 Å²	130.9	76%	0.759	70%	0.696	S	S	*	*			trans	76.6	131.2	157.6	-49.3	-25	0	0	0	116.1
622	S	32.7	Very low	29.5	Very low	106 Å²	106	133.8 Å²	133.8	74%	0.741	70%	0.697	S	S	*	*			cis	-152.8	116.8	-1.5	172.2	0	0	0	0	107
623	W	31.1	Very low	29.4	Very low	206 Å²	206	136.1 Å²	136.1	78%	0.78	70%	0.701	S	S	*	*				59.7	146.8	94.2	-87	54.8	0	0	0	115.1	L625	W623-L625 HydrophobicContact CE3-CD1 4.21Å; W623-L625 HydrophobicContact CE3-CG 4.19Å; W623-L625 HydrophobicContact CH2-CD2 4.29Å; W623-L625 HydrophobicContact CZ3-CD1 3.86Å; W623-L625 HydrophobicContact CZ3-CD2 4.2Å; W623-L625 HydrophobicContact CZ3-CG 4.09Å
624	P	35.5	Very low	29.3	Very low	100 Å²	100	133.3 Å²	133.3	65%	0.649	70%	0.7	S	S	*	*			cis	-138.3	146.9	12.5	33.1	-12.1	0	0	0	118.6
625	L	30.5	Very low	29.4	Very low	106 Å²	106	134.2 Å²	134.2	56%	0.555	71%	0.705	S	S	*	*			trans	59.2	166.1	133.9	-55.6	170.7	0	0	0	120.4	W623 N627	W623-L625 HydrophobicContact CE3-CD1 4.21Å; W623-L625 HydrophobicContact CE3-CG 4.19Å; W623-L625 HydrophobicContact CH2-CD2 4.29Å; W623-L625 HydrophobicContact CZ3-CD1 3.86Å; W623-L625 HydrophobicContact CZ3-CD2 4.2Å; W623-L625 HydrophobicContact CZ3-CG 4.09Å; L625-N627 WeakPolarHBondContact CD2-ND2 3.43Å
626	L	31.9	Very low	29.5	Very low	139 Å²	139	133.1 Å²	133.1	73%	0.728	70%	0.703	S	S	*	*			cis	-130.4	133	0	-115	114.9	0	0	0	107.2
627	N	27.7	Very low	29.8	Very low	106 Å²	106	131.6 Å²	131.6	57%	0.567	70%	0.702	S	S	*	*				52.4	126.3	78	-62.2	-17.6	0	0	0	112.7	L625	L625-N627 WeakPolarHBondContact CD2-ND2 3.43Å
628	K	34.1	Very low	30.2	Very low	181 Å²	181	131.7 Å²	131.7	79%	0.787	71%	0.706	S	S	*	*			cis	-142.4	154.1	31.7	-72.7	-174.6	177.4	-172.2	0	112.2
629	V	27.7	Very low	30.6	Very low	96 Å²	96	135.6 Å²	135.6	58%	0.582	71%	0.708	S	S	*	*			cis	90	136.9	31.3	171	0	0	0	0	113.5
630	E	30.2	Very low	31.1	Very low	158 Å²	158	137 Å²	137	74%	0.738	71%	0.708	S	S	*	*			trans	71.8	145.1	168.4	-76.4	150.9	-162.7	0	0	116.7
631	D	28.1	Very low	31.3	Very low	100 Å²	100	136.2 Å²	136.2	54%	0.535	71%	0.708	S	S	.	*			cis	-165.7	168.5	-8.4	-131.1	-22.5	0	0	0	114.3
632	R	26.5	Very low	31.6	Very low	191 Å²	191	135.5 Å²	135.5	72%	0.721	71%	0.709	S	S	*	*			trans	56	119.7	147.7	-70.1	169.2	-135.2	-122.8	-8.9	121.4
633	L	26.7	Very low	32	Very low	159 Å²	159	139 Å²	139	83%	0.832	71%	0.714	S	S	*	*				81.8	138.6	89.6	-69.5	174.6	0	0	0	115.9
634	A	26.8	Very low	32.2	Very low	85 Å²	85	138.1 Å²	138.1	70%	0.702	72%	0.716	S	S	*	*			trans	65.9	150.1	167.2	0	0	0	0	0	116.8
635	D	29.7	Very low	32.2	Very low	156 Å²	156	141.1 Å²	141.1	83%	0.834	71%	0.714	S	S	*	*			cis	-150.6	-174.8	-5.9	-107.8	-22.8	0	0	0	111.8
636	T	30.7	Very low	32.6	Very low	118 Å²	118	144 Å²	144	72%	0.724	72%	0.722	S	S	*	*			trans	-71.4	171.1	-162.3	52	0	0	0	0	120.9
637	S	32.1	Very low	32.9	Very low	95 Å²	95	142.2 Å²	142.2	66%	0.664	72%	0.717	S	S	*	*			trans	73.1	148.1	155.5	54.8	0	0	0	0	120.5
638	D	35.7	Very low	33.3	Very low	153 Å²	153	144.8 Å²	144.8	82%	0.818	73%	0.726	S	S	*	*			cis	-166.6	138.1	-11.7	-99.7	-17.6	0	0	0	115.2
639	Y	35.1	Very low	33.5	Very low	207 Å²	207	143.7 Å²	143.7	81%	0.812	73%	0.728	S	S	*	*			trans	74.7	110.3	133.5	-129.3	-127.9	0	0	0	129.1
640	I	37.5	Very low	33.8	Very low	119 Å²	119	145.2 Å²	145.2	61%	0.61	74%	0.737	S	S	*	*			trans	91.3	121.1	133.5	-80.1	-168.3	0	0	0	129
641	N	35	Very low	34.1	Very low	137 Å²	137	145.9 Å²	145.9	73%	0.733	74%	0.738	S	S	*	*			trans	58.2	170.6	146.1	-66.5	13.5	0	0	0	126.9
642	T	38.1	Very low	34.4	Very low	127 Å²	127	145.8 Å²	145.8	78%	0.779	75%	0.745	S	S	*	*			cis	-171.6	-179.2	-31.1	42.1	0	0	0	0	110.5
643	E	40.5	Very low	34.7	Very low	180 Å²	180	144.2 Å²	144.2	84%	0.841	75%	0.751	S	S	*	*			cis	-159.9	-154.2	2.7	-141.3	-122.4	76.6	0	0	114.9
644	F	36.6	Very low	35	Very low	187 Å²	187	143 Å²	143	82%	0.82	75%	0.75	S	S	*	*			trans	-137	-135.1	-165.1	-156	-119.9	0	0	0	124.6
645	R	35	Very low	35.4	Very low	163 Å²	163	147.7 Å²	147.7	62%	0.615	76%	0.762	S	S	*	*			trans	-153.5	-149.5	-150.8	-123.9	179.8	-171.1	-163.1	4.3	123.1
646	K	38.8	Very low	35.6	Very low	167 Å²	167	145.8 Å²	145.8	73%	0.726	76%	0.761	S	S	*	*			trans	-124.3	154.3	-147.9	-80.3	-170.1	174.4	-170	0	122.9
647	T	37.6	Very low	35.7	Very low	101 Å²	101	145.2 Å²	145.2	62%	0.62	76%	0.762	S	S	*	*			trans	53.8	119.4	138.4	64.7	0	0	0	0	129.8
648	E	37.6	Very low	35.8	Very low	160 Å²	160	145.5 Å²	145.5	75%	0.748	76%	0.763	S	S	*	*			trans	56.7	172.5	133.9	-74.1	65.1	83.9	0	0	124.3
649	L	36.4	Very low	35.6	Very low	159 Å²	159	144.8 Å²	144.8	83%	0.832	76%	0.759	S	S	*	*			cis	-140.3	-140.7	7.5	-154.7	66.5	0	0	0	112.1
650	V	36	Very low	35.7	Very low	128 Å²	128	142.3 Å²	142.3	78%	0.776	76%	0.759	S	S	*	*			cis	-159.1	-168.1	-0.6	76.6	0	0	0	0	113.1
651	K	34.7	Very low	35.7	Very low	172 Å²	172	147.1 Å²	147.1	75%	0.748	77%	0.771	S	S	*	*			trans	-148.3	-172.6	-174.2	-59.6	-175.5	-177.9	176.3	0	114
652	S	34.5	Very low	35.5	Very low	98 Å²	98	149.2 Å²	149.2	69%	0.685	77%	0.773	S	S	*	*			cis	-168	-175.6	24.5	-62	0	0	0	0	115.4
653	N	32.9	Very low	35.2	Very low	158 Å²	158	149.3 Å²	149.3	85%	0.845	77%	0.769	S	S	*	*			trans	103.6	151.7	151.8	-57.4	-12	0	0	0	123.8
654	T	33.8	Very low	34.9	Very low	132 Å²	132	151.1 Å²	151.1	81%	0.81	77%	0.77	S	S	*	*			trans	-164.7	166.5	-175.2	51.4	0	0	0	0	117.3
655	L	35.7	Very low	34.5	Very low	185 Å²	185	146.8 Å²	146.8	97%	0.969	76%	0.762	S	S	*	*			trans	-134.3	-171.6	167.6	-140.2	83.7	0	0	0	114.9
656	S	32.7	Very low	34.5	Very low	115 Å²	115	142.2 Å²	142.2	80%	0.804	75%	0.749	S	S	*	*			trans	-144.6	160.5	-151.7	-176.4	0	0	0	0	119.1
657	S	33.7	Very low	34.3	Very low	107 Å²	107	139.1 Å²	139.1	75%	0.748	75%	0.746	S	S	*	*				164.8	158.5	125.9	-157.9	0	0	0	0	119
658	C	34.3	Very low	34	Very low	100 Å²	100	137.4 Å²	137.4	68%	0.676	73%	0.733	S	S	*	*			trans	88.9	104	151	-73.7	0	0	0	0	126.3
659	D	32.1	Very low	33.7	Very low	138 Å²	138	137.6 Å²	137.6	74%	0.738	73%	0.728	S	S	*	*				60.5	127.7	122.9	-48.2	-41.8	0	0	0	126.9
660	L	37.1	Very low	33.4	Very low	155 Å²	155	136.9 Å²	136.9	81%	0.812	73%	0.725	S	S	*	*				-177.7	139.7	115.8	-119.4	71.1	0	0	0	116
661	Y	36.2	Very low	33.2	Very low	220 Å²	220	135 Å²	135	86%	0.863	71%	0.714	S	S	*	*			trans	69.3	162.1	162.9	-82	-89.4	0	0	0	123.4
662	K	30.6	Very low	33	Very low	181 Å²	181	135.9 Å²	135.9	79%	0.787	71%	0.714	S	S	*	*			trans	-135.6	160.4	-160.1	-55.8	175.3	-180	178.7	0	112.6
663	D	33	Very low	32.7	Very low	129 Å²	129	140.7 Å²	140.7	69%	0.69	72%	0.719	S	S	*	*				172.8	146.7	112.1	-92.7	-9.2	0	0	0	116.7
664	Y	32.9	Very low	32.7	Very low	218 Å²	218	139 Å²	139	86%	0.855	71%	0.706	S	S	*	*			trans	69.1	152.8	166	-63.6	-63.9	0	0	0	123
665	C	28.4	Very low	32.5	Very low	96 Å²	96	137.8 Å²	137.8	65%	0.649	70%	0.7	S	S	*	*			trans	-124.5	-173.6	-158.2	-49.3	0	0	0	0	114.6	F949	C665-F949 HydrophobicContact CB-CD1 3.79Å; C665-F949 HydrophobicContact CB-CE1 3.38Å; C665-F949 HydrophobicContact CB-CZ 3.88Å
666	L	36.1	Very low	32.3	Very low	67 Å²	67	134.1 Å²	134.1	35%	0.351	69%	0.685	S	S	.	*			trans	-112.8	177.8	-166.4	-50.8	168.7	0	0	0	112.7	N948 F949	L666-N948 WeakPolarHBondContact CB-OD1 3.44Å; L666-F949 HydrophobicContact CB-CB 4.31Å; L666-F949 HydrophobicContact CB-CD1 4.12Å; L666-F949 HydrophobicContact CD1-CB 4.22Å
667	P	33.6	Very low	32.1	Very low	103 Å²	103	132.8 Å²	132.8	67%	0.669	67%	0.669	S	S	*	*			trans	-136.1	176.7	142.7	11.3	12.2	0	0	0	116.1	N948	P667-N948 PolarHBondContact O-ND2 2.82Å; P667-N948 PolarHBondContact O-OD1 3Å
668	N	30.7	Very low	31.9	Very low	64 Å²	64	131.9 Å²	131.9	34%	0.342	66%	0.656	S	S	.	*			trans	-138	169.7	-154.5	-145.1	-3.5	0	0	0	116.2	N948	N668-N948 WeakPolarHBondContact CA-ND2 3.41Å; N668-N948 PolarHBondContact OD1-ND2 2.7Å
669	Y	31.4	Very low	31.8	Very low	164 Å²	164	130.2 Å²	130.2	64%	0.643	65%	0.645	S	S	*	*			trans	53.6	131.9	160.5	-75.2	-66.6	0	0	0	123.8
670	N	31.3	Very low	31.8	Very low	145 Å²	145	125.9 Å²	125.9	78%	0.775	62%	0.621	S	S	*	*				164.1	161	107.6	-89.2	-68.5	0	0	0	110.8
671	T	31.2	Very low	31.4	Very low	89 Å²	89	122.2 Å²	122.2	55%	0.546	61%	0.607	S	S	.	*			cis	159.6	147.8	-20.8	-71	0	0	0	0	105.4
672	Y	30.6	Very low	31.1	Very low	189 Å²	189	115.6 Å²	115.6	74%	0.741	58%	0.584	S	S	*	*			trans	145.9	104.1	141.2	-89.8	-88.6	0	0	0	119.3
673	Y	29	Very low	31.1	Very low	200 Å²	200	113.1 Å²	113.1	78%	0.784	57%	0.571	S	S	*	*				79	156	129.6	-85.9	-118.7	0	0	0	125.8
674	Q	31.6	Very low	30.9	Very low	122 Å²	122	111.2 Å²	111.2	57%	0.57	57%	0.567	S	S	*	*			trans	-101.2	-147.9	-167.7	-40.5	172.5	-90.5	0	0	112.4
675	P	30.5	Very low	31.1	Very low	106 Å²	106	105.7 Å²	105.7	69%	0.688	56%	0.561	S	S	*	*			cis	-148.1	167.2	5.8	41	-17.9	0	0	0	122.1
676	V	31.2	Very low	31.3	Very low	109 Å²	109	106 Å²	106	66%	0.661	56%	0.555	S	S	*	*			trans	88.5	114.4	132.3	156.8	0	0	0	0	125.7
677	N	28.5	Very low	31.4	Very low	87 Å²	87	111.1 Å²	111.1	47%	0.465	58%	0.576	S	S	.	*				59.2	164.9	127.3	-58.2	38.9	0	0	0	124.3
678	D	28.9	Very low	31.2	Very low	87 Å²	87	112.7 Å²	112.7	47%	0.465	58%	0.577	S	S	.	*			cis	-160.2	163.2	-3.5	-131.1	-45	0	0	0	116.9
679	S	32.2	Very low	31.3	Very low	65 Å²	65	115.7 Å²	115.7	46%	0.455	60%	0.597	S	S	.	*			trans	64.6	173.8	153.2	78.9	0	0	0	0	119.4	P58	P58-S679 VanDerWaalsContact CB-OG 3.25Å; P58-S679 WeakPolarHBondContact CB-OG 3.48Å
680	Q	32.9	Very low	31.3	Very low	48 Å²	48	113.9 Å²	113.9	22%	0.224	60%	0.604	C	S	.	*			cis	-153.3	-179.7	-9.4	-143.8	-108.5	109.9	0	0	111.1	P58 T61	P58-Q680 HydrophobicContact CB-CB 3.46Å; P58-Q680 VanDerWaalsContact CB-CB 3.46Å; P58-Q680 HydrophobicContact CB-CG 4.45Å; P58-Q680 PolarHBondContact O-NE2 2.99Å; T61-Q680 PolarHBondContact O-NE2 2.87Å
681	C	28	Very low	31.3	Very low	77 Å²	77	114 Å²	114	52%	0.52	61%	0.605	S	S	.	*			trans	-152.1	-163.4	-168.6	-79.4	0	0	0	0	114.8	T61	T61-C681 PolarHBondContact OG1-O 2.95Å
682	Q	29.7	Very low	31.4	Very low	82 Å²	82	113.9 Å²	113.9	38%	0.383	60%	0.601	S	S	.	*			trans	-158.7	-165.7	151.5	-125	-60.9	-72.6	0	0	113.6	T61 Y720 C721	T61-Q682 HydrophobicContact CG2-CB 3.88Å; T61-Q682 HydrophobicContact CG2-CG 3.41Å; T61-Q682 VanDerWaalsContact CG2-CG 3.41Å; Q682-Y720 VanDerWaalsContact NE2-CG 3.31Å; Q682-C721 VanDerWaalsContact CG-SG 3.58Å
683	Y	30.5	Very low	31.5	Very low	129 Å²	129	112.8 Å²	112.8	51%	0.506	60%	0.602	S	S	.	*			trans	-127.8	-175	-165.7	-91.7	-165.3	0	0	0	111.8	Y720	Y683-Y720 HydrophobicContact CD1-CD2 4.21Å; Y683-Y720 HydrophobicContact CD2-CD2 4.3Å; Y683-Y720 HydrophobicContact CD2-CE2 4.03Å; Y683-Y720 AromaticContact CE1-CD2 3.84Å; Y683-Y720 HydrophobicContact CE1-CD2 3.84Å; Y683-Y720 HydrophobicContact CE1-CE2 4.27Å; Y683-Y720 AromaticContact CE2-CD2 3.93Å; Y683-Y720 HydrophobicContact CE2-CD2 3.93Å; Y683-Y720 AromaticContact CE2-CE2 3.52Å; Y683-Y720 HydrophobicContact CE2-CE2 3.52Å; Y683-Y720 HydrophobicContact CG-CD2 4.43Å; Y683-Y720 AromaticContact CZ-CD2 3.69Å; Y683-Y720 AromaticContact CZ-CE2 3.65Å
684	S	30.2	Very low	31.8	Very low	88 Å²	88	109.9 Å²	109.9	62%	0.615	60%	0.596	S	S	*	*			cis	-177.2	-150.3	-42.3	72.6	0	0	0	0	108.2
685	S	36.1	Very low	31.9	Very low	103 Å²	103	109.3 Å²	109.3	72%	0.72	60%	0.601	S	S	*	*			trans	70.6	174.7	170.7	81	0	0	0	0	116.1
686	N	32.2	Very low	32	Very low	101 Å²	101	110.6 Å²	110.6	54%	0.54	61%	0.606	S	S	.	*			cis	-157	172.5	9.1	-143.8	-26.9	0	0	0	114.1	I688	N686-I688 WeakPolarHBondContact OD1-CD1 3.4Å
687	F	38.6	Very low	32	Very low	176 Å²	176	111.9 Å²	111.9	77%	0.772	61%	0.608	S	S	*	*			trans	60.7	126.7	162.5	-62.6	-61.7	0	0	0	121.7
688	I	30.6	Very low	32.3	Very low	135 Å²	135	115.4 Å²	115.4	69%	0.692	63%	0.626	S	S	*	*				168.7	138.5	-50.5	-82.7	158.8	0	0	0	110.2	N686	N686-I688 WeakPolarHBondContact OD1-CD1 3.4Å
689	T	31.9	Very low	32.6	Very low	127 Å²	127	116.4 Å²	116.4	78%	0.779	64%	0.64	S	S	*	*			trans	-169.4	163.9	168.1	26.4	0	0	0	0	110
690	T	32.3	Very low	32.5	Very low	127 Å²	127	116.8 Å²	116.8	78%	0.779	65%	0.654	S	S	*	*			cis	-162.2	160.5	-43.4	16.1	0	0	0	0	110.5
691	N	30.8	Very low	32.7	Very low	148 Å²	148	120 Å²	120	79%	0.791	68%	0.679	S	S	*	*			trans	-81.6	175.6	173.8	-81.7	73.5	0	0	0	113.4
692	N	33.2	Very low	32.9	Very low	86 Å²	86	121.6 Å²	121.6	46%	0.46	69%	0.691	S	S	.	*			cis	-131.3	-127.5	10.7	-151.5	36.7	0	0	0	114.1	E694	N692-E694 PolarHBondContact ND2-OE1 2.75Å
693	E	33.6	Very low	33	Very low	166 Å²	166	122.5 Å²	122.5	78%	0.776	71%	0.706	S	S	*	*			cis	-152.8	175.4	15.1	-152.9	65.3	-89.7	0	0	112.1
694	E	33.8	Very low	32.9	Very low	139 Å²	139	119.8 Å²	119.8	65%	0.65	71%	0.706	S	S	*	*			trans	-146.7	166.9	-151.7	-71.2	-177.2	-112	0	0	114.8	N692	N692-E694 PolarHBondContact ND2-OE1 2.75Å
695	T	33.8	Very low	32.9	Very low	110 Å²	110	120.8 Å²	120.8	68%	0.675	71%	0.713	S	S	*	*			cis	-167.5	-166.9	-15.2	36.4	0	0	0	0	109.8
696	V	33.1	Very low	32.7	Very low	132 Å²	132	120.4 Å²	120.4	80%	0.8	71%	0.71	S	S	*	*			trans	76.2	160	160.5	80.7	0	0	0	0	116
697	I	32.2	Very low	32.4	Very low	136 Å²	136	119.2 Å²	119.2	70%	0.697	71%	0.707	S	S	*	*			cis	-152.3	142.5	27.8	-37.6	161.6	0	0	0	113.6
698	L	33.2	Very low	31.9	Very low	162 Å²	162	115.7 Å²	115.7	85%	0.848	70%	0.704	S	S	*	*			trans	43.4	152.6	157	-68	166.8	0	0	0	121.8
699	S	35.2	Very low	31.8	Very low	108 Å²	108	114.4 Å²	114.4	76%	0.755	70%	0.702	S	S	*	*			cis	-163.9	154.3	-9.3	43.9	0	0	0	0	111.7
700	G	30.1	Very low	31.5	Very low	72 Å²	72	115.6 Å²	115.6	74%	0.742	70%	0.697	S	S	*	*			trans	-91.1	-156.7	-177.6	0	0	0	0	0	116.4
701	P	37.4	Very low	31.1	Very low	117 Å²	117	118.8 Å²	118.8	76%	0.76	70%	0.695	S	S	*	*			cis	-140.4	174.2	26.5	44.6	-27.3	0	0	0	118.4
702	S	31.6	Very low	31.2	Very low	109 Å²	109	117.1 Å²	117.1	76%	0.762	69%	0.693	S	S	*	*			trans	29.2	123.9	150.3	60.7	0	0	0	0	120.8
703	S	32.1	Very low	31	Very low	102 Å²	102	120.6 Å²	120.6	71%	0.713	71%	0.706	S	S	*	*			cis	-158.1	169.3	-2.2	66.5	0	0	0	0	109.5
704	S	29.5	Very low	30.8	Very low	72 Å²	72	115 Å²	115	50%	0.503	69%	0.686	S	S	.	*			cis	69.6	134.7	34.1	138	0	0	0	0	113.4	S706	S704-S706 WeakPolarHBondContact CB-OG 3.25Å; S704-S706 PolarHBondContact OG-OG 2.86Å
705	S	30.1	Very low	30.6	Very low	108 Å²	108	111.6 Å²	111.6	76%	0.755	67%	0.672	S	S	*	*			cis	55.9	91.9	-2.7	66.8	0	0	0	0	116.6
706	S	31	Very low	30.3	Very low	95 Å²	95	111.1 Å²	111.1	66%	0.664	67%	0.665	S	S	*	*			trans	-151.5	116.5	169.2	-54.6	0	0	0	0	107.7	S704	S704-S706 WeakPolarHBondContact CB-OG 3.25Å; S704-S706 PolarHBondContact OG-OG 2.86Å
707	T	26	Very low	30	Very low	77 Å²	77	114.4 Å²	114.4	47%	0.472	67%	0.669	S	S	.	*			cis	61.2	125	13.9	10.3	0	0	0	0	115.8	V1048	T707-V1048 HydrophobicContact CG2-CG1 4.36Å
708	S	28.2	Very low	29.6	Very low	101 Å²	101	113 Å²	113	71%	0.706	66%	0.663	S	S	*	*			trans	67	121.7	150.2	71.5	0	0	0	0	120.4
709	V	29.5	Very low	29.3	Very low	108 Å²	108	111.4 Å²	111.4	66%	0.655	65%	0.649	S	S	*	*			trans	50.9	130.2	150.4	-106.6	0	0	0	0	118.8
710	F	24.2	Very low	28.7	Very low	153 Å²	153	109.1 Å²	109.1	67%	0.671	63%	0.625	S	S	*	*				-164.9	149.7	69.2	-93	-67.3	0	0	0	115.5
711	R	24.8	Very low	28.4	Very low	194 Å²	194	106.6 Å²	106.6	73%	0.732	60%	0.595	S	S	*	*			trans	21.8	121.8	141.7	-67.5	166.1	-174.5	155.2	-1.5	118
712	C	33.1	Very low	27.8	Very low	113 Å²	113	105 Å²	105	76%	0.764	59%	0.587	S	S	*	*				55	126.6	64.4	-58.8	0	0	0	0	114.9
713	H	28.4	Very low	27.5	Very low	158 Å²	158	101.7 Å²	101.7	73%	0.731	56%	0.564	S	S	*	*			trans	-156.4	107.2	146.5	-115.6	82.2	0	0	0	114.8	P784	H713-P784 VanDerWaalsContact C-CD 3.47Å; H713-P784 WeakPolarHBondContact O-CD 3.5Å
714	S	30.5	Very low	27.2	Very low	49 Å²	49	102.9 Å²	102.9	34%	0.343	57%	0.567	S	S	.	*			trans	-4.3	144.2	169.6	-59.4	0	0	0	0	125.8	T783 S785	S714-T783 WeakPolarHBondContact O-CB 3.3Å; S714-S785 WeakPolarHBondContact CB-O 3.38Å; S714-S785 PolarHBondContact OG-O 2.99Å
715	N	28.8	Very low	27.1	Very low	68 Å²	68	105.2 Å²	105.2	36%	0.364	57%	0.574	S	S	.	*			trans	68	134	135	-64.6	-7.9	0	0	0	120.4	T783 P784 S785	N715-T783 WeakPolarHBondContact O-CB 3.4Å; N715-T783 PolarHBondContact O-OG1 2.74Å; N715-P784 WeakPolarHBondContact CA-O 3.36Å; N715-P784 PolarHBondContact N-O 3.11Å; N715-P784 VanDerWaalsContact N-O 3.08Å; N715-P784 VanDerWaalsContact OD1-C 3.29Å; N715-P784 PolarHBondContact OD1-O 2.94Å; N715-S785 VanDerWaalsContact OD1-C 3.31Å; N715-S785 WeakPolarHBondContact OD1-CA 3.19Å; N715-S785 PolarHBondContact OD1-N 3.33Å; N715-S785 PolarHBondContact OD1-O 3.39Å; N715-S785 VanDerWaalsContact OD1-O 3.08Å
716	N	27.2	Very low	26.9	Very low	100 Å²	100	105.6 Å²	105.6	54%	0.535	57%	0.567	S	S	.	*			cis	-157.1	160.6	12.5	-86.7	-47.7	0	0	0	110	T783	N716-T783 PolarHBondContact N-OG1 3.47Å
717	F	26.6	Very low	26.7	Very low	200 Å²	200	109 Å²	109	88%	0.877	57%	0.571	S	S	*	*				-161.1	109.9	118.6	-109.4	-69.2	0	0	0	111.2
718	N	25.1	Very low	26.8	Very low	106 Å²	106	113.4 Å²	113.4	57%	0.567	59%	0.586	S	S	*	*			trans	-73.1	140.3	164.4	-72.9	-81.5	0	0	0	108.9
719	F	26	Very low	26.7	Very low	129 Å²	129	113.6 Å²	113.6	57%	0.566	59%	0.587	S	S	*	*			trans	-159.3	157.2	130.3	-104.1	-59	0	0	0	111.6	F64	F64-F719 HydrophobicContact CB-CB 3.99Å; F64-F719 HydrophobicContact CB-CD1 4.42Å; F64-F719 HydrophobicContact CB-CG 4.47Å; F64-F719 HydrophobicContact CD1-CB 3.48Å; F64-F719 VanDerWaalsContact CD1-CB 3.48Å; F64-F719 AromaticContact CD1-CD1 3.88Å; F64-F719 HydrophobicContact CD1-CD1 3.88Å; F64-F719 AromaticContact CD1-CD2 3.97Å; F64-F719 HydrophobicContact CD1-CD2 3.97Å; F64-F719 AromaticContact CD1-CG 3.48Å; F64-F719 HydrophobicContact CD1-CG 3.48Å; F64-F719 VanDerWaalsContact CD1-CG 3.48Å; F64-F719 HydrophobicContact CD2-CB 4.23Å; F64-F719 AromaticContact CD2-CD1 3.21Å; F64-F719 HydrophobicContact CD2-CD1 3.21Å; F64-F719 AromaticContact CD2-CE1 3.67Å; F64-F719 HydrophobicContact CD2-CE1 3.67Å; F64-F719 AromaticContact CD2-CG 3.77Å; F64-F719 HydrophobicContact CD2-CG 3.77Å; F64-F719 HydrophobicContact CE1-CB 4.01Å; F64-F719 AromaticContact CE1-CD1 3.91Å; F64-F719 HydrophobicContact CE1-CD1 3.91Å; F64-F719 AromaticContact CE1-CD2 3.55Å; F64-F719 HydrophobicContact CE1-CD2 3.55Å; F64-F719 HydrophobicContact CE1-CE1 4.31Å; F64-F719 AromaticContact CE1-CE2 3.99Å; F64-F719 HydrophobicContact CE1-CE2 3.99Å; F64-F719 AromaticContact CE1-CG 3.52Å; F64-F719 HydrophobicContact CE1-CG 3.52Å; F64-F719 HydrophobicContact CE1-CZ 4.34Å; F64-F719 AromaticContact CE2-CD1 3.29Å; F64-F719 HydrophobicContact CE2-CD1 3.29Å; F64-F719 HydrophobicContact CE2-CD2 4.27Å; F64-F719 AromaticContact CE2-CE1 3.26Å; F64-F719 HydrophobicContact CE2-CE1 3.26Å; F64-F719 HydrophobicContact CE2-CE2 4.25Å; F64-F719 AromaticContact CE2-CG 3.84Å; F64-F719 HydrophobicContact CE2-CG 3.84Å; F64-F719 AromaticContact CE2-CZ 3.77Å; F64-F719 HydrophobicContact CE2-CZ 3.77Å; F64-F719 HydrophobicContact CG-CB 3.62Å; F64-F719 AromaticContact CG-CD1 3.56Å; F64-F719 HydrophobicContact CG-CD1 3.56Å; F64-F719 HydrophobicContact CG-CD2 4.5Å; F64-F719 HydrophobicContact CG-CE1 4.4Å; F64-F719 AromaticContact CG-CG 3.63Å; F64-F719 HydrophobicContact CG-CG 3.63Å; F64-F719 AromaticContact CZ-CD1 3.65Å; F64-F719 HydrophobicContact CZ-CD1 3.65Å; F64-F719 AromaticContact CZ-CD2 3.74Å; F64-F719 HydrophobicContact CZ-CD2 3.74Å; F64-F719 AromaticContact CZ-CE1 3.62Å; F64-F719 HydrophobicContact CZ-CE1 3.62Å; F64-F719 AromaticContact CZ-CE2 3.71Å; F64-F719 HydrophobicContact CZ-CE2 3.71Å; F64-F719 AromaticContact CZ-CG 3.72Å; F64-F719 HydrophobicContact CZ-CG 3.72Å; F64-F719 AromaticContact CZ-CZ 3.66Å; F64-F719 HydrophobicContact CZ-CZ 3.66Å
720	Y	23.2	Very low	26.6	Very low	61 Å²	61	113.5 Å²	113.5	24%	0.239	59%	0.591	C	S	.	*			trans	-153.8	121.7	-161.7	-163.6	-50.8	0	0	0	107.8	Q682 Y683	Q682-Y720 VanDerWaalsContact NE2-CG 3.31Å; Y683-Y720 HydrophobicContact CD1-CD2 4.21Å; Y683-Y720 HydrophobicContact CD2-CD2 4.3Å; Y683-Y720 HydrophobicContact CD2-CE2 4.03Å; Y683-Y720 AromaticContact CE1-CD2 3.84Å; Y683-Y720 HydrophobicContact CE1-CD2 3.84Å; Y683-Y720 HydrophobicContact CE1-CE2 4.27Å; Y683-Y720 AromaticContact CE2-CD2 3.93Å; Y683-Y720 HydrophobicContact CE2-CD2 3.93Å; Y683-Y720 AromaticContact CE2-CE2 3.52Å; Y683-Y720 HydrophobicContact CE2-CE2 3.52Å; Y683-Y720 HydrophobicContact CG-CD2 4.43Å; Y683-Y720 AromaticContact CZ-CD2 3.69Å; Y683-Y720 AromaticContact CZ-CE2 3.65Å
721	C	24	Very low	26.7	Very low	18 Å²	18	111.7 Å²	111.7	12%	0.122	60%	0.597	C	S	.	*			trans	157.9	107.1	154.7	-87.6	0	0	0	0	110.6	H63 F64 Q682 S723	H63-C721 CarbonylContact C-O 3.36Å; H63-C721 VanDerWaalsContact CA-O 3.26Å; H63-C721 WeakPolarHBondContact CA-O 3.34Å; H63-C721 VanDerWaalsContact N-CB 3.31Å; H63-C721 PolarHBondContact N-O 2.93Å; F64-C721 PolarHBondContact N-O 2.77Å; F64-C721 VanDerWaalsContact O-O 3.1Å; Q682-C721 VanDerWaalsContact CG-SG 3.58Å; C721-S723 PolarHBondContact O-N 3.48Å
722	S	24.1	Very low	26.8	Very low	83 Å²	83	107.1 Å²	107.1	58%	0.58	59%	0.594	S	S	*	*			trans	-79.3	96.1	-177.5	-60.6	0	0	0	0	113.2
723	S	25.6	Very low	26.6	Very low	41 Å²	41	108.7 Å²	108.7	29%	0.287	60%	0.595	S	S	.	*			trans	-83.7	114	162	-145.2	0	0	0	0	110	A62 C721 D725	A62-S723 WeakPolarHBondContact O-CB 3.14Å; A62-S723 PolarHBondContact O-OG 2.82Å; C721-S723 PolarHBondContact O-N 3.48Å; S723-D725 PolarHBondContact OG-O 2.86Å
724	T	26.3	Very low	26.7	Very low	127 Å²	127	106.2 Å²	106.2	78%	0.779	59%	0.591	S	S	*	*			trans	-109	65.4	152.1	53.1	0	0	0	0	109
725	D	26.9	Very low	26.6	Very low	120 Å²	120	114.4 Å²	114.4	64%	0.642	62%	0.616	S	S	*	*			trans	-150	138.4	153.2	-97.4	-31.4	0	0	0	108.6	S723	S723-D725 PolarHBondContact OG-O 2.86Å
726	N	26.3	Very low	26.8	Very low	116 Å²	116	114 Å²	114	62%	0.62	63%	0.628	S	S	*	*			cis	172.5	157.9	-28.1	-113.3	-45.6	0	0	0	104.2
727	F	26.5	Very low	27	Very low	168 Å²	168	116.2 Å²	116.2	74%	0.737	64%	0.639	S	S	*	*			trans	62.7	94.2	170.3	-61.3	-67.8	0	0	0	120.1
728	H	26.7	Very low	27.3	Very low	169 Å²	169	114.3 Å²	114.3	78%	0.782	63%	0.633	S	S	*	*				71.6	154.8	115.5	-90	-109.2	0	0	0	122.1
729	S	26.8	Very low	27.5	Very low	104 Å²	104	114.5 Å²	114.5	73%	0.727	64%	0.642	S	S	*	*			trans	62.1	117	169.5	40.8	0	0	0	0	116.7
730	S	26.9	Very low	27.8	Very low	106 Å²	106	113.7 Å²	113.7	74%	0.741	65%	0.652	S	S	*	*			cis	86.1	131.7	41.2	77.9	0	0	0	0	114.1
731	S	27.1	Very low	28.7	Very low	115 Å²	115	115.5 Å²	115.5	80%	0.804	67%	0.671	S	S	*	*			trans	63.8	158.7	-177.4	-78.9	0	0	0	0	114.3
732	C	26.8	Very low	29.2	Very low	99 Å²	99	122.1 Å²	122.1	67%	0.669	70%	0.7	S	S	*	*			cis	168.1	170.7	-23.2	-97.4	0	0	0	0	104
733	D	29.1	Very low	29.7	Very low	146 Å²	146	123.7 Å²	123.7	78%	0.781	70%	0.702	S	S	*	*			trans	73.3	120.6	167.4	-53.8	-47.1	0	0	0	116.9
734	T	29.3	Very low	30.1	Very low	106 Å²	106	128.2 Å²	128.2	65%	0.65	72%	0.723	S	S	*	*			cis	103.7	139.3	27.7	-59.6	0	0	0	0	111.9
735	Y	29.7	Very low	30.4	Very low	221 Å²	221	128.7 Å²	128.7	87%	0.867	73%	0.726	S	S	*	*			trans	75.9	136.4	-175.8	-61.1	-77.3	0	0	0	117.1
736	G	32.5	Very low	30.8	Very low	59 Å²	59	126 Å²	126	61%	0.608	73%	0.726	S	S	*	*			cis	166.4	179.5	-8.6	0	0	0	0	0	115
737	N	32.3	Very low	31.1	Very low	146 Å²	146	129.1 Å²	129.1	78%	0.781	74%	0.743	S	S	*	*			trans	73.6	139.1	173.3	-57.9	-37.9	0	0	0	116.7
738	Q	32.9	Very low	31.4	Very low	160 Å²	160	124.2 Å²	124.2	75%	0.748	74%	0.74	S	S	*	*			cis	-158.1	148.6	-0.3	-120.8	164.2	38.6	0	0	112.5
739	C	29.6	Very low	31.7	Very low	110 Å²	110	123.8 Å²	123.8	74%	0.743	74%	0.743	S	S	*	*			trans	44.6	126	158.2	-55.8	0	0	0	0	120.9
740	S	31.4	Very low	32	Very low	112 Å²	112	127.2 Å²	127.2	78%	0.783	74%	0.744	S	S	*	*			cis	81.6	149.6	37.4	-57	0	0	0	0	115.7
741	P	42.7	Very low	32	Very low	99 Å²	99	127.6 Å²	127.6	64%	0.643	74%	0.743	S	S	*	*			cis	-143.4	-153.3	-41.7	40.4	-20.2	0	0	0	113.1
742	H	34.5	Very low	32.2	Very low	157 Å²	157	126.9 Å²	126.9	73%	0.727	74%	0.737	S	S	*	*			trans	82.4	148.7	165.2	-63.7	-49	0	0	0	120.1
743	N	33.9	Very low	32.4	Very low	117 Å²	117	130.8 Å²	130.8	63%	0.626	75%	0.746	S	S	*	*			cis	-172.3	146.2	-28.5	-113	22.5	0	0	0	110.8
744	N	33.9	Very low	32.3	Very low	136 Å²	136	127.8 Å²	127.8	73%	0.727	74%	0.736	S	S	*	*			trans	60.7	165.3	148.9	-60.9	3.7	0	0	0	118.5
745	T	33.1	Very low	32.2	Very low	137 Å²	137	128.4 Å²	128.4	84%	0.84	74%	0.74	S	S	*	*			cis	-167.9	165.9	-22.6	28.6	0	0	0	0	106.2
746	G	34.7	Very low	32.2	Very low	62 Å²	62	123.4 Å²	123.4	64%	0.639	73%	0.732	S	S	*	*			cis	161.3	158.9	1.5	0	0	0	0	0	110.4
747	D	33.9	Very low	32	Very low	182 Å²	182	128.9 Å²	128.9	97%	0.973	74%	0.742	S	S	*	*			trans	60.9	155	176.8	-54.6	-36.1	0	0	0	118
748	G	32.5	Very low	31.8	Very low	66 Å²	66	126.3 Å²	126.3	68%	0.68	74%	0.735	S	S	*	*			cis	170.1	164.2	-11.4	0	0	0	0	0	114.5
749	L	33	Very low	31.6	Very low	160 Å²	160	127.6 Å²	127.6	84%	0.838	74%	0.742	S	S	*	*			trans	73.9	119.2	155.1	-61.8	167.2	0	0	0	123.6
750	K	31.9	Very low	31.4	Very low	175 Å²	175	131.3 Å²	131.3	76%	0.761	75%	0.745	S	S	*	*				94	109.3	120.6	-85.4	-172.6	173.9	-176	0	125.4
751	T	27.7	Very low	31.2	Very low	115 Å²	115	131.1 Å²	131.1	71%	0.706	74%	0.739	S	S	*	*				69.4	113.6	122	56.6	0	0	0	0	124.8
752	S	30.2	Very low	30.6	Very low	99 Å²	99	131.8 Å²	131.8	69%	0.692	74%	0.741	S	S	*	*				89.1	148.2	112	74.2	0	0	0	0	123.7
753	Q	30.8	Very low	30.3	Very low	181 Å²	181	131.5 Å²	131.5	85%	0.846	75%	0.745	S	S	*	*			trans	71.6	156.6	162	-71.1	179.1	-43.2	0	0	118.2
754	S	27.5	Very low	29.9	Very low	84 Å²	84	132.6 Å²	132.6	59%	0.587	75%	0.751	S	S	*	*			cis	-175.3	176.5	-37.2	57.6	0	0	0	0	108.9
755	T	27.9	Very low	29.6	Very low	118 Å²	118	131 Å²	131	72%	0.724	75%	0.751	S	S	*	*			trans	67.6	121.4	163.5	30.1	0	0	0	0	115.6
756	V	28.5	Very low	29.3	Very low	116 Å²	116	130.1 Å²	130.1	70%	0.703	75%	0.745	S	S	*	*				67.2	125.7	80.3	173.3	0	0	0	0	109.9
757	E	28.8	Very low	28.9	Very low	175 Å²	175	134 Å²	134	82%	0.818	75%	0.746	S	S	*	*			cis	-150.2	-160.2	44.9	-149	138.9	-126.3	0	0	114.7
758	S	27.8	Very low	28.7	Very low	91 Å²	91	132.9 Å²	132.9	64%	0.636	73%	0.733	S	S	*	*			trans	-34.7	163.6	172.1	55.5	0	0	0	0	118.1
759	E	29.9	Very low	28.4	Very low	188 Å²	188	135.2 Å²	135.2	88%	0.879	73%	0.734	S	S	*	*			cis	-156.1	-175	33.7	-152.5	158.8	-143.4	0	0	115.2
760	F	24.8	Very low	28.1	Very low	187 Å²	187	136.8 Å²	136.8	82%	0.82	73%	0.73	S	S	*	*			trans	-75.9	179	-164.1	-168.7	-125.8	0	0	0	116.2
761	V	27.3	Very low	27.9	Very low	109 Å²	109	136.7 Å²	136.7	66%	0.661	73%	0.73	S	S	*	*			trans	95.4	91.8	163.7	-168.6	0	0	0	0	118.8
762	V	30.1	Very low	28	Very low	112 Å²	112	137.2 Å²	137.2	68%	0.679	73%	0.728	S	S	*	*				49.5	115.5	124.3	-179.9	0	0	0	0	119.2
763	N	27.5	Very low	27.9	Very low	151 Å²	151	138.3 Å²	138.3	81%	0.807	74%	0.735	S	S	*	*				-165.4	174.2	92.2	-131	-26.2	0	0	0	114.6
764	D	26.4	Very low	27.8	Very low	140 Å²	140	138.2 Å²	138.2	75%	0.749	73%	0.732	S	S	*	*			trans	-69.4	145.2	-169.7	-81.5	-48.1	0	0	0	117.8
765	S	27.8	Very low	27.8	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	74%	0.742	S	S	*	*			trans	78	159.9	137.8	74.2	0	0	0	0	122.4
766	V	26.8	Very low	27.8	Very low	118 Å²	118	139.9 Å²	139.9	72%	0.715	74%	0.739	S	S	*	*			trans	84.8	117.1	162.7	-171.3	0	0	0	0	118.4
767	E	25.9	Very low	27.7	Very low	142 Å²	142	140.8 Å²	140.8	66%	0.664	74%	0.74	S	S	*	*			trans	67.8	118.8	155.6	-69.4	-172.6	138.8	0	0	119.8
768	K	29.4	Very low	27.7	Very low	159 Å²	159	139.1 Å²	139.1	69%	0.691	74%	0.736	S	S	*	*				83.2	148.9	70.3	-74.5	-179.5	-163.9	155.1	0	113.8
769	T	26.3	Very low	27.7	Very low	115 Å²	115	141.2 Å²	141.2	71%	0.706	74%	0.741	S	S	*	*			trans	70.9	150.1	166.1	74.8	0	0	0	0	116.3
770	Y	26.4	Very low	27.7	Very low	194 Å²	194	139.1 Å²	139.1	76%	0.761	73%	0.734	S	S	*	*			cis	-167.9	150	-23.4	-108.1	-40.5	0	0	0	109.4
771	F	28.2	Very low	28.1	Very low	173 Å²	173	135.9 Å²	135.9	76%	0.759	73%	0.729	S	S	*	*			trans	64.4	164.7	154.5	-83	-125.4	0	0	0	117.6
772	L	29.4	Very low	28.3	Very low	126 Å²	126	137.9 Å²	137.9	66%	0.66	74%	0.737	S	S	*	*			cis	179.8	132.5	-31	176.3	105.1	0	0	0	108.2
773	S	27.5	Very low	28.4	Very low	121 Å²	121	136.6 Å²	136.6	85%	0.846	73%	0.729	S	S	*	*			trans	-158.4	145.7	153.2	46.4	0	0	0	0	113.2
774	K	30.2	Very low	29.1	Very low	180 Å²	180	132.1 Å²	132.1	78%	0.783	71%	0.708	S	S	*	*			trans	-113.1	158.3	175.4	-51.7	172	-179.2	177.8	0	109
775	T	27.9	Very low	29.9	Very low	131 Å²	131	126.5 Å²	126.5	80%	0.804	68%	0.68	S	S	*	*			trans	-169.4	120.3	134.3	21.1	0	0	0	0	114.6
776	T	27.6	Very low	30.4	Very low	106 Å²	106	125.2 Å²	125.2	65%	0.65	67%	0.667	S	S	*	*			trans	51.5	115.5	137	59.5	0	0	0	0	123.1
777	D	26.7	Very low	30.8	Very low	134 Å²	134	124.7 Å²	124.7	72%	0.717	67%	0.665	S	S	*	*				57.8	122.5	121.5	-40.5	-33	0	0	0	119.9
778	N	28	Very low	31.1	Very low	141 Å²	141	122.7 Å²	122.7	75%	0.754	66%	0.659	S	S	*	*				-168.9	145.2	74.6	-94.5	-87.7	0	0	0	115
779	N	28.6	Very low	31.1	Very low	135 Å²	135	119.2 Å²	119.2	72%	0.722	64%	0.644	S	S	*	*			trans	73.9	108.1	149	-71	-35.2	0	0	0	124
780	I	29.2	Very low	31.7	Very low	144 Å²	144	115.3 Å²	115.3	74%	0.738	62%	0.621	S	S	*	*				103.2	99.8	127.8	-65.1	168.2	0	0	0	120.9
781	T	32.2	Very low	32.3	Very low	118 Å²	118	112.1 Å²	112.1	72%	0.724	61%	0.611	S	S	*	*			trans	94.8	83.4	144.9	47.1	0	0	0	0	127.6
782	N	32.6	Very low	32.6	Very low	152 Å²	152	106.9 Å²	106.9	81%	0.813	59%	0.59	S	S	*	*				80.6	150	126.6	-56	6.8	0	0	0	126.7
783	T	32.4	Very low	32.7	Very low	85 Å²	85	104.4 Å²	104.4	52%	0.521	58%	0.582	S	S	.	*			trans	-163.9	0	-144.7	43.6	0	0	0	0	123.1	S714 N715 N716	S714-T783 WeakPolarHBondContact O-CB 3.3Å; N715-T783 WeakPolarHBondContact O-CB 3.4Å; N715-T783 PolarHBondContact O-OG1 2.74Å; N716-T783 PolarHBondContact N-OG1 3.47Å
784	P	40.8	Very low	33.2	Very low	56 Å²	56	105.9 Å²	105.9	36%	0.364	58%	0.579	S	S	.	*				0	0	0	-7.3	31.5	0	0	0	128.9	H713 N715	H713-P784 VanDerWaalsContact C-CD 3.47Å; H713-P784 WeakPolarHBondContact O-CD 3.5Å; N715-P784 WeakPolarHBondContact CA-O 3.36Å; N715-P784 PolarHBondContact N-O 3.11Å; N715-P784 VanDerWaalsContact N-O 3.08Å; N715-P784 VanDerWaalsContact OD1-C 3.29Å; N715-P784 PolarHBondContact OD1-O 2.94Å
785	S	44.3	Very low	33.3	Very low	22 Å²	22	107 Å²	107	15%	0.154	58%	0.578	C	S	.	*				0	0	0	66.7	0	0	0	0	122.3	S714 N715	S714-S785 WeakPolarHBondContact CB-O 3.38Å; S714-S785 PolarHBondContact OG-O 2.99Å; N715-S785 VanDerWaalsContact OD1-C 3.31Å; N715-S785 WeakPolarHBondContact OD1-CA 3.19Å; N715-S785 PolarHBondContact OD1-N 3.33Å; N715-S785 PolarHBondContact OD1-O 3.39Å; N715-S785 VanDerWaalsContact OD1-O 3.08Å
786	T	38	Very low	33.4	Very low	77 Å²	77	101.1 Å²	101.1	47%	0.472	54%	0.543	S	S	.	.				0	0	0	-28	0	0	0	0	115.2	Q8 D11	Q8-T786 HydrophobicContact CG-CG2 4.01Å; D11-T786 WeakPolarHBondContact OD2-CG2 3.28Å
787	T	35.8	Very low	33.6	Very low	107 Å²	107	98.8 Å²	98.8	66%	0.656	53%	0.531	S	S	*	.				0	0	0	-13.1	0	0	0	0	113.2	D11	D11-T787 WeakPolarHBondContact OD1-CA 3.49Å; D11-T787 WeakPolarHBondContact OD1-CG2 3.42Å
788	D	31.7	Very low	34.2	Very low	101 Å²	101	98.1 Å²	98.1	54%	0.54	53%	0.531	S	S	.	.				0	0	0	-169.6	11.2	0	0	0	118.3
789	K	30.2	Very low	34.3	Very low	86 Å²	86	95.7 Å²	95.7	37%	0.374	51%	0.514	S	S	.	.				0	0	0	-66.2	-65.1	104.3	-169	0	129.8	K18 D802 D803	K18-K789 WeakPolarHBondContact CE-O 3.49Å; K18-K789 PolarHBondContact NZ-O 3.43Å; K789-D802 IonicContact NZ-OD1 3.67Å; K789-D803 VanDerWaalsContact CD-OD2 3.29Å; K789-D803 WeakPolarHBondContact CD-OD2 3.45Å; K789-D803 WeakPolarHBondContact CE-OD2 3.17Å; K789-D803 IonicContact NZ-OD1 2.88Å; K789-D803 PolarHBondContact NZ-OD1 3.36Å; K789-D803 IonicContact NZ-OD2 2.8Å; K789-D803 PolarHBondContact NZ-OD2 2.6Å
790	S	38.6	Very low	34.3	Very low	32 Å²	32	90.5 Å²	90.5	22%	0.224	49%	0.486	C	S	.	.				0	144.6	0	93.5	0	0	0	0	126.5	S801 D802	S790-S801 PolarHBondContact OG-N 3.45Å; S790-D802 WeakPolarHBondContact CA-OD1 3.39Å; S790-D802 WeakPolarHBondContact CA-OD2 3.27Å; S790-D802 VanDerWaalsContact CB-OD1 3.27Å; S790-D802 WeakPolarHBondContact CB-OD1 3.39Å; S790-D802 PolarHBondContact N-OD1 3.35Å; S790-D802 PolarHBondContact N-OD2 2.93Å; S790-D802 WeakPolarHBondContact O-CB 3.28Å; S790-D802 PolarHBondContact O-N 2.85Å; S790-D802 VanDerWaalsContact O-N 3.13Å; S790-D802 PolarHBondContact OG-N 2.79Å; S790-D802 PolarHBondContact OG-OD1 3.12Å
791	K	37.8	Very low	34.4	Very low	127 Å²	127	87.5 Å²	87.5	55%	0.552	48%	0.478	S	S	*	.	B	Isolated β-bridge	trans	-163.6	128.2	153.9	-110.7	146.1	-171.6	154.4	0	122.1	L800 D802 D803	K791-L800 CarbonylContact C-O 3.53Å; K791-L800 WeakPolarHBondContact O-CD1 3.28Å; K791-D802 HydrophobicContact CD-CB 3.91Å; K791-D802 WeakPolarHBondContact CE-O 3.43Å; K791-D802 HydrophobicContact CG-CB 4.38Å; K791-D802 VanDerWaalsContact NZ-CB 3.34Å; K791-D802 PolarHBondContact NZ-O 3.33Å; K791-D803 PolarHBondContact NZ-O 2.85Å
792	L	36	Very low	34.3	Very low	63 Å²	63	83.7 Å²	83.7	33%	0.33	45%	0.453	S	S	.	.			trans	-166.1	-178.2	-171.4	-96.7	179.2	0	0	0	117.7	L800	L792-L800 HydrophobicContact CB-CB 3.97Å; L792-L800 HydrophobicContact CB-CD1 3.88Å; L792-L800 HydrophobicContact CB-CG 4.06Å; L792-L800 HydrophobicContact CD1-CD1 3.6Å; L792-L800 HydrophobicContact CD1-CG 4.07Å; L792-L800 HydrophobicContact CG-CD1 3.62Å; L792-L800 HydrophobicContact CG-CG 4.27Å; L792-L800 PolarHBondContact N-O 3.22Å; L792-L800 VanDerWaalsContact O-O 3.14Å
793	P	30.2	Very low	34.3	Very low	75 Å²	75	80 Å²	80	49%	0.487	43%	0.434	S	S	.	.			trans	-111.6	135.9	-161.9	40.6	-37.5	0	0	0	123.2	W795 A796 S797	P793-W795 PolarHBondContact O-N 3.15Å; P793-W795 VanDerWaalsContact O-N 3.12Å; P793-A796 HydrophobicContact CG-CB 4.42Å; P793-A796 CarbonylContact O-C 3.54Å; P793-A796 VanDerWaalsContact O-CA 3.26Å; P793-A796 WeakPolarHBondContact O-CA 3.3Å; P793-A796 WeakPolarHBondContact O-CB 3.45Å; P793-A796 PolarHBondContact O-N 3.04Å; P793-S797 PolarHBondContact O-N 3.38Å
794	I	37.7	Very low	34.1	Very low	152 Å²	152	82.8 Å²	82.8	78%	0.779	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	43.1	-94.5	174.3	-50.1	-174	0	0	0	116.1	A796 S797	I794-A796 PolarHBondContact O-N 3.44Å; I794-S797 VanDerWaalsContact C-N 3.34Å; I794-S797 WeakPolarHBondContact CA-OG 3.43Å; I794-S797 PolarHBondContact N-OG 3.26Å; I794-S797 WeakPolarHBondContact O-CB 3.44Å; I794-S797 PolarHBondContact O-N 3.44Å
795	W	34	Very low	33.6	Very low	203 Å²	203	89.3 Å²	89.3	77%	0.769	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-67.7	-24.9	174.2	63.4	-99.4	0	0	0	110.9	P793 V798	P793-W795 PolarHBondContact O-N 3.15Å; P793-W795 VanDerWaalsContact O-N 3.12Å; W795-V798 WeakPolarHBondContact O-CB 3.5Å
796	A	29.5	Very low	32.8	Very low	7 Å²	7	92.6 Å²	92.6	6%	0.058	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-94.4	9.5	166.6	0	0	0	0	0	113.7	P793 I794 F799 L800	P793-A796 HydrophobicContact CG-CB 4.42Å; P793-A796 CarbonylContact O-C 3.54Å; P793-A796 VanDerWaalsContact O-CA 3.26Å; P793-A796 WeakPolarHBondContact O-CA 3.3Å; P793-A796 WeakPolarHBondContact O-CB 3.45Å; P793-A796 PolarHBondContact O-N 3.04Å; I794-A796 PolarHBondContact O-N 3.44Å; A796-F799 HydrophobicContact CB-CB 4.24Å; A796-F799 WeakPolarHBondContact O-CA 3.49Å; A796-F799 PolarHBondContact O-N 2.95Å; A796-L800 PolarHBondContact O-N 3.28Å; A796-L800 VanDerWaalsContact O-N 3.11Å
797	S	30.4	Very low	32.5	Very low	57 Å²	57	95.4 Å²	95.4	40%	0.399	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.1	157.8	-67.8	0	0	0	0	110.9	P793 I794 F799	P793-S797 PolarHBondContact O-N 3.38Å; I794-S797 VanDerWaalsContact C-N 3.34Å; I794-S797 WeakPolarHBondContact CA-OG 3.43Å; I794-S797 PolarHBondContact N-OG 3.26Å; I794-S797 WeakPolarHBondContact O-CB 3.44Å; I794-S797 PolarHBondContact O-N 3.44Å; S797-F799 PolarHBondContact O-N 2.94Å
798	V	40.9	Very low	32.1	Very low	120 Å²	120	98 Å²	98	73%	0.727	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-32.9	163.9	179.9	0	0	0	0	111.1	W795	W795-V798 WeakPolarHBondContact O-CB 3.5Å
799	F	29.3	Very low	32.1	Very low	91 Å²	91	99.7 Å²	99.7	40%	0.399	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-33.8	-172.3	-89.5	-76.8	0	0	0	114.3	L17 A796 S797	L17-F799 HydrophobicContact CD1-CE1 4.3Å; L17-F799 HydrophobicContact CD2-CE1 3.93Å; L17-F799 HydrophobicContact CG-CE1 3.96Å; A796-F799 HydrophobicContact CB-CB 4.24Å; A796-F799 WeakPolarHBondContact O-CA 3.49Å; A796-F799 PolarHBondContact O-N 2.95Å; S797-F799 PolarHBondContact O-N 2.94Å
800	L	27.9	Very low	32.1	Very low	25 Å²	25	101.8 Å²	101.8	13%	0.131	55%	0.548	C	S	.	.			trans	-157	135	165.5	-38.6	160.9	0	0	0	111.6	K18 K791 L792 A796	K18-L800 HydrophobicContact CB-CD2 4.48Å; K18-L800 HydrophobicContact CD-CD2 4.12Å; K18-L800 HydrophobicContact CG-CD2 3.94Å; K791-L800 CarbonylContact C-O 3.53Å; K791-L800 WeakPolarHBondContact O-CD1 3.28Å; L792-L800 HydrophobicContact CB-CB 3.97Å; L792-L800 HydrophobicContact CB-CD1 3.88Å; L792-L800 HydrophobicContact CB-CG 4.06Å; L792-L800 HydrophobicContact CD1-CD1 3.6Å; L792-L800 HydrophobicContact CD1-CG 4.07Å; L792-L800 HydrophobicContact CG-CD1 3.62Å; L792-L800 HydrophobicContact CG-CG 4.27Å; L792-L800 PolarHBondContact N-O 3.22Å; L792-L800 VanDerWaalsContact O-O 3.14Å; A796-L800 PolarHBondContact O-N 3.28Å; A796-L800 VanDerWaalsContact O-N 3.11Å
801	S	32.7	Very low	31.6	Very low	82 Å²	82	106.3 Å²	106.3	57%	0.573	57%	0.569	S	S	*	*	B	Isolated β-bridge	trans	-166.3	66.3	171.9	-169.6	0	0	0	0	111.4	S790	S790-S801 PolarHBondContact OG-N 3.45Å
802	D	29.1	Very low	31.3	Very low	37 Å²	37	109 Å²	109	20%	0.198	58%	0.581	C	S	.	*			trans	-49.9	151.4	-175.3	-86.9	-9.6	0	0	0	115.9	K789 S790 K791	K789-D802 IonicContact NZ-OD1 3.67Å; S790-D802 WeakPolarHBondContact CA-OD1 3.39Å; S790-D802 WeakPolarHBondContact CA-OD2 3.27Å; S790-D802 VanDerWaalsContact CB-OD1 3.27Å; S790-D802 WeakPolarHBondContact CB-OD1 3.39Å; S790-D802 PolarHBondContact N-OD1 3.35Å; S790-D802 PolarHBondContact N-OD2 2.93Å; S790-D802 WeakPolarHBondContact O-CB 3.28Å; S790-D802 PolarHBondContact O-N 2.85Å; S790-D802 VanDerWaalsContact O-N 3.13Å; S790-D802 PolarHBondContact OG-N 2.79Å; S790-D802 PolarHBondContact OG-OD1 3.12Å; K791-D802 HydrophobicContact CD-CB 3.91Å; K791-D802 WeakPolarHBondContact CE-O 3.43Å; K791-D802 HydrophobicContact CG-CB 4.38Å; K791-D802 VanDerWaalsContact NZ-CB 3.34Å; K791-D802 PolarHBondContact NZ-O 3.33Å
803	D	33.5	Very low	30.8	Very low	76 Å²	76	112.3 Å²	112.3	41%	0.406	60%	0.599	S	S	.	*			trans	34.5	109.3	134.1	-44.6	-14	0	0	0	117.8	K789 K791	K789-D803 VanDerWaalsContact CD-OD2 3.29Å; K789-D803 WeakPolarHBondContact CD-OD2 3.45Å; K789-D803 WeakPolarHBondContact CE-OD2 3.17Å; K789-D803 IonicContact NZ-OD1 2.88Å; K789-D803 PolarHBondContact NZ-OD1 3.36Å; K789-D803 IonicContact NZ-OD2 2.8Å; K789-D803 PolarHBondContact NZ-OD2 2.6Å; K791-D803 PolarHBondContact NZ-O 2.85Å
804	N	27.3	Very low	30.7	Very low	142 Å²	142	114.4 Å²	114.4	76%	0.759	61%	0.606	S	S	*	*				176	121.7	83.9	-87.5	-55	0	0	0	110
805	H	30	Very low	30.3	Very low	194 Å²	194	113.9 Å²	113.9	90%	0.898	61%	0.605	S	S	*	*			trans	-175	74.8	151	-99	-59.2	0	0	0	109.6
806	S	29.2	Very low	30.1	Very low	91 Å²	91	111.5 Å²	111.5	64%	0.636	60%	0.6	S	S	*	*			trans	-95.4	162.2	139.9	59.7	0	0	0	0	108.2
807	D	30.5	Very low	30.2	Very low	135 Å²	135	117.7 Å²	117.7	72%	0.722	63%	0.627	S	S	*	*			trans	74.9	154	166.8	-44	-49.3	0	0	0	117.7
808	L	28	Very low	30.3	Very low	162 Å²	162	120.5 Å²	120.5	85%	0.848	64%	0.638	S	S	*	*			trans	69.8	117	-159.2	-51	-177.9	0	0	0	113.6
809	D	32.1	Very low	30	Very low	137 Å²	137	120.7 Å²	120.7	73%	0.733	64%	0.635	S	S	*	*			cis	-119.8	126.8	7.7	-74.4	-43.7	0	0	0	113.9
810	C	30.5	Very low	30	Very low	129 Å²	129	124.2 Å²	124.2	87%	0.872	65%	0.652	S	S	*	*			trans	-106.4	113.5	151.5	-75.4	0	0	0	0	107.6
811	L	28	Very low	30.2	Very low	128 Å²	128	126.8 Å²	126.8	67%	0.67	67%	0.673	S	S	*	*			trans	-144.1	119.9	169.4	-75.1	-177.7	0	0	0	111
812	F	29.8	Very low	30	Very low	182 Å²	182	131.6 Å²	131.6	80%	0.798	68%	0.683	S	S	*	*			trans	51.9	105.1	165	-50	-65.3	0	0	0	116.8
813	N	27.2	Very low	30.1	Very low	134 Å²	134	135.4 Å²	135.4	72%	0.717	70%	0.704	S	S	*	*			cis	73.1	135.5	40.6	-144.8	62.9	0	0	0	114.8
814	D	27.5	Very low	29.9	Very low	119 Å²	119	138.3 Å²	138.3	64%	0.636	72%	0.719	S	S	*	*			trans	78.1	135.5	167.2	-55.5	-52.5	0	0	0	122
815	N	29	Very low	29.9	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	72%	0.717	S	S	*	*			trans	83.6	138.3	158.1	-55.8	-61.4	0	0	0	119.9
816	K	30.1	Very low	29.9	Very low	152 Å²	152	134.7 Å²	134.7	66%	0.661	71%	0.706	S	S	*	*			cis	-176.9	149.3	-26.8	-132.6	177.8	169.9	-141.2	0	110.2
817	H	32.5	Very low	29.8	Very low	137 Å²	137	137.1 Å²	137.1	63%	0.634	71%	0.712	S	S	*	*			trans	63.3	162.7	160.8	-62	-55.8	0	0	0	116.2
818	N	31.5	Very low	30	Very low	117 Å²	117	139.7 Å²	139.7	63%	0.626	72%	0.719	S	S	*	*			cis	-167.6	162.7	-19.7	-107.3	33.5	0	0	0	105.5
819	D	33.8	Very low	30.1	Very low	123 Å²	123	136.1 Å²	136.1	66%	0.658	71%	0.708	S	S	*	*			cis	-136.8	178.2	-4.9	-90	-48.3	0	0	0	106.2
820	E	31.3	Very low	30	Very low	165 Å²	165	138.2 Å²	138.2	77%	0.771	71%	0.711	S	S	*	*			cis	61.2	140.4	44.6	-83.5	-141.8	-132.2	0	0	115.7
821	S	31.4	Very low	30.1	Very low	79 Å²	79	139.5 Å²	139.5	55%	0.552	70%	0.704	S	S	*	*			cis	-161.9	154.8	-16	35.5	0	0	0	0	113
822	F	28.7	Very low	30.4	Very low	183 Å²	183	139.2 Å²	139.2	80%	0.803	71%	0.713	S	S	*	*			trans	45.1	121.6	146.2	-76	-116.8	0	0	0	120.9
823	N	31.4	Very low	30.5	Very low	117 Å²	117	133.8 Å²	133.8	63%	0.626	71%	0.708	S	S	*	*				90.5	157.9	57.3	-170.8	20.6	0	0	0	113.6
824	L	28	Very low	31	Very low	137 Å²	137	134.8 Å²	134.8	72%	0.717	71%	0.712	S	S	*	*			trans	78.7	148.1	170.6	-49.8	-179.8	0	0	0	118.9
825	F	28.2	Very low	31.4	Very low	167 Å²	167	137 Å²	137	73%	0.732	72%	0.718	S	S	*	*			cis	-177	161.5	-37.9	-135.6	-95.6	0	0	0	108.5
826	S	28.7	Very low	31.6	Very low	94 Å²	94	134.1 Å²	134.1	66%	0.657	71%	0.709	S	S	*	*			trans	107.8	101.1	153.3	-45.9	0	0	0	0	120.4
827	N	28.2	Very low	31.7	Very low	142 Å²	142	134.1 Å²	134.1	76%	0.759	72%	0.716	S	S	*	*				60.5	163.2	111.6	-59.9	-8.2	0	0	0	123.7
828	E	34.4	Very low	31.7	Very low	188 Å²	188	132 Å²	132	88%	0.879	72%	0.717	S	S	*	*			trans	76.2	150.7	172.6	-57.7	-173.4	177.9	0	0	116.9
829	S	31	Very low	31.7	Very low	88 Å²	88	131.7 Å²	131.7	62%	0.615	72%	0.72	S	S	*	*				-177.7	171.8	-58.3	49.3	0	0	0	0	108.6
830	F	29.9	Very low	31.6	Very low	181 Å²	181	133 Å²	133	79%	0.794	73%	0.726	S	S	*	*			trans	67.1	153.8	173.1	-79.5	-95	0	0	0	115.2
831	E	32.2	Very low	31.6	Very low	155 Å²	155	132.4 Å²	132.4	72%	0.724	72%	0.723	S	S	*	*			cis	-161.2	150.9	-9.3	-168.6	166.2	-149.5	0	0	111.7
832	S	33.4	Very low	31.3	Very low	123 Å²	123	133 Å²	133	86%	0.86	73%	0.727	S	S	*	*			trans	61	161.4	166.4	75	0	0	0	0	117.3
833	G	32.3	Very low	31.4	Very low	68 Å²	68	129.8 Å²	129.8	70%	0.701	73%	0.727	S	S	*	*			cis	-175.8	156.6	-5.8	0	0	0	0	0	106.2
834	I	36.9	Very low	31.5	Very low	155 Å²	155	130 Å²	130	80%	0.795	74%	0.735	S	S	*	*				179.2	154.2	55	-103.4	164.6	0	0	0	107.9
835	H	36.1	Very low	31.7	Very low	165 Å²	165	129.3 Å²	129.3	76%	0.764	74%	0.736	S	S	*	*			trans	13.1	146.1	157.8	-58.4	-46.2	0	0	0	122.8
836	S	34.7	Very low	31.7	Very low	81 Å²	81	125.9 Å²	125.9	57%	0.566	73%	0.733	S	S	*	*			cis	-176	153.3	-5	-98.3	0	0	0	0	111.2
837	N	32	Very low	31.8	Very low	151 Å²	151	128.2 Å²	128.2	81%	0.807	74%	0.737	S	S	*	*			trans	61.8	147.1	148	-64.5	-6.4	0	0	0	120.2
838	S	31.7	Very low	32	Very low	94 Å²	94	125 Å²	125	66%	0.657	73%	0.726	S	S	*	*			cis	-175.6	174.4	-14.3	56.5	0	0	0	0	110.9
839	T	31.6	Very low	31.7	Very low	110 Å²	110	118.7 Å²	118.7	68%	0.675	70%	0.703	S	S	*	*			trans	85.2	94.7	144.4	-53.8	0	0	0	0	119.8
840	L	31.3	Very low	31.9	Very low	150 Å²	150	118.6 Å²	118.6	79%	0.785	70%	0.7	S	S	*	*				61.1	152.7	129.8	-57.2	-177.6	0	0	0	121.8
841	H	30.6	Very low	31.9	Very low	152 Å²	152	115.3 Å²	115.3	70%	0.704	70%	0.695	S	S	*	*			cis	-170.7	133.1	-30	-160.6	-95.6	0	0	0	110.2
842	S	26.9	Very low	31.8	Very low	91 Å²	91	112.4 Å²	112.4	64%	0.636	69%	0.691	S	S	*	*			trans	57	145.8	156.7	58.8	0	0	0	0	122.4
843	S	30.3	Very low	31.8	Very low	116 Å²	116	114.2 Å²	114.2	81%	0.811	69%	0.691	S	S	*	*			trans	106.4	147.4	162.4	-49.9	0	0	0	0	115.6
844	P	33.8	Very low	31.9	Very low	121 Å²	121	116.2 Å²	116.2	79%	0.786	69%	0.689	S	S	*	*			trans	-131.8	-162.4	-137	35.6	-14.5	0	0	0	115.6
845	V	31.1	Very low	32	Very low	124 Å²	124	116.2 Å²	116.2	75%	0.752	69%	0.69	S	S	*	*			trans	121.4	101.4	151.9	179.7	0	0	0	0	118
846	S	29.2	Very low	32	Very low	95 Å²	95	113.4 Å²	113.4	66%	0.664	69%	0.686	S	S	*	*			trans	52.8	139.5	143.7	69.2	0	0	0	0	125.4
847	L	30.8	Very low	32.2	Very low	142 Å²	142	114.8 Å²	114.8	74%	0.743	69%	0.694	S	S	*	*				172.6	146.2	107.3	-88.5	166.9	0	0	0	116.3
848	S	31	Very low	32.1	Very low	76 Å²	76	112.6 Å²	112.6	53%	0.531	69%	0.69	S	S	.	*			trans	46.5	117.6	147.4	61.7	0	0	0	0	127.2
849	S	28.4	Very low	32	Very low	55 Å²	55	112 Å²	112	39%	0.385	69%	0.686	S	S	.	*				40	148	125.9	69.9	0	0	0	0	125.4	L910 G911 L912	S849-L910 CarbonylContact C-O 3.57Å; S849-G911 VanDerWaalsContact C-CA 3.47Å; S849-G911 VanDerWaalsContact CA-CA 3.48Å; S849-L912 WeakPolarHBondContact CA-O 3.18Å; S849-L912 PolarHBondContact N-O 3.25Å
850	P	35.3	Very low	31.8	Very low	85 Å²	85	117.5 Å²	117.5	55%	0.552	70%	0.696	S	S	*	*			cis	-147.9	171.5	-21	39.4	-18.5	0	0	0	119	G911	P850-G911 CarbonylContact C-O 3.05Å; P850-G911 WeakPolarHBondContact CA-O 3.23Å
851	T	30.1	Very low	31.7	Very low	113 Å²	113	115.2 Å²	115.2	69%	0.693	69%	0.692	S	S	*	*			trans	95.3	124	148.1	-11.7	0	0	0	0	123.2	G911	T851-G911 PolarHBondContact N-O 3.2Å
852	S	30.8	Very low	31.8	Very low	93 Å²	93	114.9 Å²	114.9	65%	0.65	70%	0.695	S	S	*	*			trans	69.3	115.3	143.3	50	0	0	0	0	124.7
853	L	33.9	Very low	32	Very low	161 Å²	161	116.7 Å²	116.7	84%	0.843	70%	0.702	S	S	*	*			trans	72	143.3	140.7	-55.2	168.4	0	0	0	117.8
854	T	32.6	Very low	32	Very low	110 Å²	110	116.1 Å²	116.1	68%	0.675	69%	0.694	S	S	*	*			cis	-153.6	133.7	6.9	-14.5	0	0	0	0	113.8
855	L	39	Very low	32	Very low	156 Å²	156	115.6 Å²	115.6	82%	0.817	69%	0.693	S	S	*	*			trans	65.5	167.5	140.7	-82.7	175.2	0	0	0	120.2
856	P	37.7	Very low	32.1	Very low	105 Å²	105	113.7 Å²	113.7	68%	0.682	69%	0.686	S	S	*	*			trans	-132.8	-144.2	-133.4	47.2	-26.7	0	0	0	111.4
857	P	38.1	Very low	32.4	Very low	110 Å²	110	117.9 Å²	117.9	71%	0.714	69%	0.692	S	S	*	*			cis	-136.3	-171.2	-11.7	35.2	-13.8	0	0	0	116.2
858	S	30.8	Very low	32.4	Very low	106 Å²	106	117.3 Å²	117.3	74%	0.741	69%	0.689	S	S	*	*			trans	81.2	141.9	142.8	157.8	0	0	0	0	118.1
859	S	28.5	Very low	32.6	Very low	80 Å²	80	121.6 Å²	121.6	56%	0.559	70%	0.699	S	S	*	*			cis	-168.6	156.3	-15.7	-69.3	0	0	0	0	109.9
860	Y	28.3	Very low	32.9	Very low	227 Å²	227	125.6 Å²	125.6	89%	0.89	71%	0.709	S	S	*	*			trans	60.5	164.8	151.7	-65.8	-45.2	0	0	0	118.1
861	S	29.2	Very low	32.9	Very low	101 Å²	101	125.8 Å²	125.8	71%	0.706	71%	0.709	S	S	*	*			cis	-172.5	-156.8	-22.7	-179	0	0	0	0	106.9
862	L	32	Very low	33.2	Very low	146 Å²	146	128 Å²	128	76%	0.764	71%	0.712	S	S	*	*			trans	84.9	139	175.7	-49.9	172.7	0	0	0	113.7
863	T	31.4	Very low	33.5	Very low	128 Å²	128	130.9 Å²	130.9	79%	0.785	71%	0.712	S	S	*	*				-159.7	172.7	50.1	41.6	0	0	0	0	111.4
864	T	30.6	Very low	33.6	Very low	104 Å²	104	130.3 Å²	130.3	64%	0.638	71%	0.71	S	S	*	*			cis	-170.5	141.8	-38.8	34.2	0	0	0	0	108.7
865	S	34.2	Very low	33.8	Very low	110 Å²	110	131.5 Å²	131.5	77%	0.769	71%	0.708	S	S	*	*			trans	166.4	121.2	142	41.6	0	0	0	0	108.3
866	S	31.6	Very low	34	Very low	85 Å²	85	128.2 Å²	128.2	59%	0.594	70%	0.696	S	S	*	*			cis	73.2	107.8	35.4	-46.1	0	0	0	0	113.6
867	F	35.6	Very low	33.9	Very low	182 Å²	182	129.9 Å²	129.9	80%	0.798	70%	0.699	S	S	*	*				176.1	124.1	103.4	-75.9	-52.7	0	0	0	109.9
868	L	32.3	Very low	33.7	Very low	131 Å²	131	129.8 Å²	129.8	69%	0.686	69%	0.692	S	S	*	*				66.2	145.9	104.7	-58.3	175.6	0	0	0	115.4
869	F	34.1	Very low	33.8	Very low	166 Å²	166	133.1 Å²	133.1	73%	0.728	69%	0.693	S	S	*	*			cis	-153.4	-160.8	1.9	-123.3	-33.6	0	0	0	107.8	T871	F869-T871 HydrophobicContact CD1-CG2 3.95Å; F869-T871 HydrophobicContact CE1-CG2 3.7Å
870	K	35	Very low	34	Very low	138 Å²	138	135.3 Å²	135.3	60%	0.6	70%	0.697	S	S	*	*			cis	-148.2	109.6	4.8	-176.3	-160.9	165.6	-163.2	0	108.9	E872	K870-E872 VanDerWaalsContact CE-OE1 3.27Å; K870-E872 WeakPolarHBondContact CE-OE1 3.22Å; K870-E872 IonicContact NZ-OE1 2.67Å; K870-E872 PolarHBondContact NZ-OE1 2.83Å; K870-E872 IonicContact NZ-OE2 2.96Å; K870-E872 PolarHBondContact NZ-OE2 3.13Å
871	T	35.6	Very low	34	Very low	90 Å²	90	131.1 Å²	131.1	55%	0.552	69%	0.69	S	S	*	*				33.5	128.5	110.5	72.5	0	0	0	0	120.8	F869	F869-T871 HydrophobicContact CD1-CG2 3.95Å; F869-T871 HydrophobicContact CE1-CG2 3.7Å
872	E	37	Very low	33.9	Very low	160 Å²	160	131.6 Å²	131.6	75%	0.748	69%	0.694	S	S	*	*				168.5	167.1	125.1	-96.4	161.6	-172.8	0	0	111.5	K870	K870-E872 VanDerWaalsContact CE-OE1 3.27Å; K870-E872 WeakPolarHBondContact CE-OE1 3.22Å; K870-E872 IonicContact NZ-OE1 2.67Å; K870-E872 PolarHBondContact NZ-OE1 2.83Å; K870-E872 IonicContact NZ-OE2 2.96Å; K870-E872 PolarHBondContact NZ-OE2 3.13Å
873	K	35.8	Very low	33.9	Very low	152 Å²	152	130.1 Å²	130.1	66%	0.661	70%	0.696	S	S	*	*				-170.6	155	-64.9	-139.1	-163.7	172.6	-141.3	0	107.6	E875	K873-E875 IonicContact NZ-OE1 3.58Å; K873-E875 PolarHBondContact NZ-OE1 3.35Å
874	N	35.6	Very low	33.8	Very low	149 Å²	149	132.5 Å²	132.5	80%	0.797	70%	0.695	S	S	*	*			trans	156.6	114.4	146.3	-78.4	-7.8	0	0	0	109.9
875	E	37	Very low	33.7	Very low	136 Å²	136	134.8 Å²	134.8	64%	0.636	70%	0.699	S	S	*	*				95.2	151.1	58.9	-68.7	-96.6	144.6	0	0	111.9	K873	K873-E875 IonicContact NZ-OE1 3.58Å; K873-E875 PolarHBondContact NZ-OE1 3.35Å
876	P	42.7	Very low	33.4	Very low	87 Å²	87	134.7 Å²	134.7	57%	0.565	69%	0.694	S	S	*	*			cis	-146.5	-166.7	-31.4	41.5	-22.2	0	0	0	115.6
877	D	37.1	Very low	33.1	Very low	140 Å²	140	136 Å²	136	75%	0.749	70%	0.699	S	S	*	*			trans	66.7	147.4	152.8	-62	-17.6	0	0	0	121.4
878	L	32.8	Very low	32.8	Very low	108 Å²	108	133.9 Å²	133.9	57%	0.565	70%	0.695	S	S	*	*			cis	-163.9	179.4	-15.2	-105.2	166.1	0	0	0	106.3	I880	L878-I880 HydrophobicContact CD2-CD1 4.29Å; L878-I880 HydrophobicContact CD2-CG1 4.13Å
879	F	33.5	Very low	32.8	Very low	175 Å²	175	132 Å²	132	77%	0.768	69%	0.693	S	S	*	*			cis	-146.9	135.6	19.4	-83.7	-80.8	0	0	0	109.4
880	I	32.8	Very low	32.7	Very low	126 Å²	126	129.6 Å²	129.6	65%	0.646	70%	0.697	S	S	*	*				71.4	100.1	92.6	-62.8	-170.4	0	0	0	118.4	L878	L878-I880 HydrophobicContact CD2-CD1 4.29Å; L878-I880 HydrophobicContact CD2-CG1 4.13Å
881	N	27.7	Very low	32.6	Very low	139 Å²	139	127.1 Å²	127.1	74%	0.743	70%	0.697	S	S	*	*				66.1	115.8	129.6	-64.7	2.2	0	0	0	125.5
882	S	27.7	Very low	32.3	Very low	111 Å²	111	128.9 Å²	128.9	78%	0.776	70%	0.703	S	S	*	*				91.7	136.2	113.5	-63.5	0	0	0	0	122.3
883	S	31.5	Very low	32	Very low	116 Å²	116	131.3 Å²	131.3	81%	0.811	71%	0.705	S	S	*	*			trans	-61.7	149.4	177.2	-28.8	0	0	0	0	115
884	K	30.5	Very low	31.7	Very low	178 Å²	178	129 Å²	129	77%	0.774	71%	0.709	S	S	*	*			trans	-164	151.1	130.7	-115.5	169.7	-178.1	174.8	0	112.9
885	Q	28.3	Very low	31.7	Very low	151 Å²	151	126.2 Å²	126.2	71%	0.706	70%	0.7	S	S	*	*			trans	31.1	134	134.2	-72.7	170	-35.1	0	0	118.1
886	T	26.5	Very low	31.5	Very low	108 Å²	108	126 Å²	126	66%	0.663	70%	0.704	S	S	*	*			cis	-174.4	165.6	32.4	15.9	0	0	0	0	110
887	T	27.2	Very low	31.1	Very low	114 Å²	114	127.3 Å²	127.3	70%	0.699	71%	0.706	S	S	*	*			trans	61.1	147.1	145.1	54.2	0	0	0	0	119
888	D	29.2	Very low	31.2	Very low	137 Å²	137	126.4 Å²	126.4	73%	0.733	70%	0.701	S	S	*	*			cis	-160	171.7	1.9	-129	-34.8	0	0	0	113
889	S	31.6	Very low	31.1	Very low	91 Å²	91	126.5 Å²	126.5	64%	0.636	70%	0.702	S	S	*	*			trans	57.8	113.3	146.8	-69.1	0	0	0	0	121.4
890	S	32.2	Very low	31	Very low	115 Å²	115	124 Å²	124	80%	0.804	70%	0.697	S	S	*	*				80.9	142.3	125.7	77.9	0	0	0	0	119.8
891	S	32.2	Very low	31	Very low	87 Å²	87	124.4 Å²	124.4	61%	0.608	70%	0.7	S	S	*	*			cis	-167.3	160.2	-17.7	57.2	0	0	0	0	111.3
892	N	30.2	Very low	31.1	Very low	127 Å²	127	121.4 Å²	121.4	68%	0.679	69%	0.69	S	S	*	*			trans	67.5	140.2	151.8	-66.7	-42.1	0	0	0	117.2
893	R	29.3	Very low	31.3	Very low	211 Å²	211	122.3 Å²	122.3	80%	0.796	69%	0.686	S	S	*	*			cis	-170.2	163.5	-9.6	-128.3	171.9	-168	-157.1	-0.8	108.8
894	S	31.5	Very low	31.3	Very low	104 Å²	104	123.4 Å²	123.4	73%	0.727	68%	0.683	S	S	*	*			trans	58.9	137.5	148.8	55	0	0	0	0	119
895	S	35	Very low	31.3	Very low	89 Å²	89	119.6 Å²	119.6	62%	0.622	68%	0.679	S	S	*	*			cis	-176	138.9	-0.5	41.7	0	0	0	0	110.4
896	N	33.2	Very low	31.3	Very low	132 Å²	132	119.7 Å²	119.7	71%	0.706	68%	0.683	S	S	*	*				68.2	146	129.9	-62.2	46.8	0	0	0	118.2
897	D	34.4	Very low	31.4	Very low	115 Å²	115	121.1 Å²	121.1	62%	0.615	69%	0.686	S	S	*	*			cis	-162.5	166.1	-4.2	-109	-6.2	0	0	0	110.3
898	D	37.4	Very low	31.7	Very low	121 Å²	121	123.6 Å²	123.6	65%	0.647	69%	0.689	S	S	*	*			trans	62	150	140.8	-70.7	9.8	0	0	0	121.9
899	N	32.2	Very low	32	Very low	110 Å²	110	123.8 Å²	123.8	59%	0.588	69%	0.69	S	S	*	*			cis	-156.8	125.5	-25.8	-110.8	-29.5	0	0	0	106.7
900	N	31.5	Very low	31.9	Very low	122 Å²	122	125.6 Å²	125.6	65%	0.652	69%	0.692	S	S	*	*				67.2	126.9	93.7	-96.1	-41.4	0	0	0	116.5
901	N	31	Very low	31.8	Very low	135 Å²	135	121.3 Å²	121.3	72%	0.722	67%	0.666	S	S	*	*			trans	72.6	152	132.6	-70.3	-18.7	0	0	0	120.6
902	S	31.2	Very low	31.8	Very low	75 Å²	75	123.4 Å²	123.4	52%	0.524	67%	0.67	S	S	.	*			cis	-179.9	171	-17.3	53.3	0	0	0	0	109.8
903	N	31.2	Very low	31.8	Very low	131 Å²	131	123.8 Å²	123.8	70%	0.701	67%	0.672	S	S	*	*			trans	72.6	154.1	154.9	-56.6	-24.8	0	0	0	116.9
904	N	30.7	Very low	31.9	Very low	138 Å²	138	119.5 Å²	119.5	74%	0.738	67%	0.674	S	S	*	*			cis	-167.8	-172.6	-26	-99.8	-20.6	0	0	0	107.9
905	S	31.4	Very low	32.4	Very low	98 Å²	98	120.2 Å²	120.2	69%	0.685	67%	0.674	S	S	*	*			trans	83.3	130.7	172.1	-66.8	0	0	0	0	115.1
906	I	28.2	Very low	32.4	Very low	154 Å²	154	120.2 Å²	120.2	79%	0.79	67%	0.667	S	S	*	*				68.8	123.5	58	-66.1	168.6	0	0	0	109.2
907	L	28.7	Very low	32.7	Very low	138 Å²	138	122.3 Å²	122.3	72%	0.723	68%	0.677	S	S	*	*			cis	-162.9	-173.8	-5.2	-170.8	64.7	0	0	0	106.4
908	E	34.3	Very low	32.9	Very low	165 Å²	165	122.1 Å²	122.1	77%	0.771	68%	0.676	S	S	*	*			trans	71.2	149.2	164.8	-62.9	153.7	-158.6	0	0	114.3
909	D	33.9	Very low	32.9	Very low	141 Å²	141	125.2 Å²	125.2	75%	0.754	68%	0.684	S	S	*	*			cis	-144.5	-174.2	-3.4	-141.4	-22.1	0	0	0	112.7
910	L	29.4	Very low	33.5	Very low	129 Å²	129	128.2 Å²	128.2	68%	0.675	70%	0.695	S	S	*	*			trans	-76.5	149.9	-161.3	-66	161	0	0	0	117.8	S849	S849-L910 CarbonylContact C-O 3.57Å
911	G	30.4	Very low	34	Very low	25 Å²	25	127.5 Å²	127.5	26%	0.258	70%	0.699	S	S	.	*			trans	141.6	129.3	161	0	0	0	0	0	116.7	S849 P850 T851	S849-G911 VanDerWaalsContact C-CA 3.47Å; S849-G911 VanDerWaalsContact CA-CA 3.48Å; P850-G911 CarbonylContact C-O 3.05Å; P850-G911 WeakPolarHBondContact CA-O 3.23Å; T851-G911 PolarHBondContact N-O 3.2Å
912	L	31.9	Very low	34.2	Very low	131 Å²	131	127.1 Å²	127.1	69%	0.686	70%	0.696	S	S	*	*			cis	84.4	75.7	8.2	-44.6	178.1	0	0	0	118.7	S849	S849-L912 WeakPolarHBondContact CA-O 3.18Å; S849-L912 PolarHBondContact N-O 3.25Å
913	D	30.3	Very low	34.4	Very low	136 Å²	136	130.3 Å²	130.3	73%	0.727	71%	0.707	S	S	*	*			trans	-165.5	143.5	135.3	-113.3	-12.3	0	0	0	114.5
914	S	32.1	Very low	34.7	Very low	121 Å²	121	132.2 Å²	132.2	85%	0.846	71%	0.712	S	S	*	*			trans	-163.3	122.2	166.9	-177	0	0	0	0	109.6
915	V	41.4	Very low	34.7	Very low	119 Å²	119	132.6 Å²	132.6	72%	0.721	71%	0.714	S	S	*	*			trans	-137.5	142.3	-179.3	-171.5	0	0	0	0	108.9
916	D	36	Very low	35	Very low	89 Å²	89	134 Å²	134	48%	0.476	72%	0.717	S	S	.	*			trans	-66	157.3	-173	-46.2	-109.5	0	0	0	113.9	R178	R178-D916 IonicContact CZ-OD1 3.7Å; R178-D916 IonicContact CZ-OD2 3.55Å; R178-D916 IonicContact NH1-OD1 2.82Å; R178-D916 PolarHBondContact NH1-OD1 3.46Å; R178-D916 IonicContact NH1-OD2 2.64Å; R178-D916 PolarHBondContact NH1-OD2 3.29Å; R178-D916 IonicContact NH2-OD1 2.7Å; R178-D916 IonicContact NH2-OD2 3.33Å; R178-D916 PolarHBondContact NH2-OD2 2.86Å
917	L	38.5	Very low	35.3	Very low	175 Å²	175	135.6 Å²	135.6	92%	0.916	72%	0.722	S	S	*	*			trans	-117.6	112.7	163.5	-74.1	177.4	0	0	0	109.5
918	D	39	Very low	35.5	Very low	111 Å²	111	135.9 Å²	135.9	59%	0.594	72%	0.724	S	S	*	*			trans	-85.3	129.3	-170.2	-59.9	-38.1	0	0	0	112.2	E920	D918-E920 PolarHBondContact O-N 2.95Å; D918-E920 VanDerWaalsContact O-N 3.17Å
919	F	38.8	Very low	35.6	Very low	187 Å²	187	135 Å²	135	82%	0.82	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-78.6	8.9	179.4	-127.3	-86.5	0	0	0	114.2	L922	F919-L922 HydrophobicContact CE1-CD1 4.44Å
920	E	43.6	Very low	35.6	Very low	173 Å²	173	136.7 Å²	136.7	81%	0.808	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-83.1	-15.1	-177.1	-137.1	72.7	-155	0	0	112.7	D918 L922	D918-E920 PolarHBondContact O-N 2.95Å; D918-E920 VanDerWaalsContact O-N 3.17Å; E920-L922 PolarHBondContact O-N 3.4Å; E920-L922 VanDerWaalsContact O-N 3.15Å
921	S	41.5	Very low	35.9	Very low	106 Å²	106	138.3 Å²	138.3	74%	0.741	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-77.8	13.5	-179.4	-57.5	0	0	0	0	115
922	L	35.4	Very low	35.9	Very low	128 Å²	128	144 Å²	144	67%	0.67	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-127.2	28.7	-178.5	-78.5	177.4	0	0	0	113.9	F919 E920	F919-L922 HydrophobicContact CE1-CD1 4.44Å; E920-L922 PolarHBondContact O-N 3.4Å; E920-L922 VanDerWaalsContact O-N 3.15Å
923	N	35.2	Very low	35.9	Very low	141 Å²	141	142.3 Å²	142.3	75%	0.754	75%	0.752	S	S	*	*	S	Bend	trans	-138.2	10.9	170	-143.1	94.5	0	0	0	115.3	L925	N923-L925 PolarHBondContact O-N 3.15Å
924	E	37.8	Very low	36	Very low	172 Å²	172	142.8 Å²	142.8	80%	0.804	75%	0.753	S	S	*	*	S	Bend	trans	-91.7	31.5	170.9	-157.1	162.5	-124.5	0	0	111
925	L	31.4	Very low	35.8	Very low	146 Å²	146	143.1 Å²	143.1	76%	0.764	75%	0.746	S	S	*	*	S	Bend	trans	-137.5	17.5	-169.9	-102.3	172.5	0	0	0	114.7	N923	N923-L925 PolarHBondContact O-N 3.15Å
926	V	37.3	Very low	35.5	Very low	126 Å²	126	145.1 Å²	145.1	76%	0.764	75%	0.751	S	S	*	*			trans	-138.6	49.9	167.3	-159	0	0	0	0	111.1
927	E	35.6	Very low	35.1	Very low	189 Å²	189	147 Å²	147	88%	0.883	76%	0.76	S	S	*	*			trans	-100.7	87.6	154.4	-76.1	-163	156.5	0	0	108.4
928	N	32.5	Very low	35	Very low	143 Å²	143	148.5 Å²	148.5	77%	0.765	76%	0.76	S	S	*	*			trans	-168.8	160.5	159.8	-90.1	-38.4	0	0	0	109.6
929	D	35.1	Very low	34.4	Very low	146 Å²	146	148.7 Å²	148.7	78%	0.781	76%	0.761	S	S	*	*			trans	67.4	81.4	160.3	-52.7	-16.4	0	0	0	119.9
930	E	35.3	Very low	34	Very low	177 Å²	177	147.4 Å²	147.4	83%	0.827	76%	0.762	S	S	*	*				49.5	124.2	124	-58.1	-165.3	154.4	0	0	123.7
931	H	35.7	Very low	33.3	Very low	163 Å²	163	142.6 Å²	142.6	76%	0.755	75%	0.747	S	S	*	*			trans	79.6	111.1	131.7	-96	-121.1	0	0	0	124.1
932	I	30.4	Very low	32.7	Very low	145 Å²	145	139.9 Å²	139.9	74%	0.744	73%	0.732	S	S	*	*			trans	76.7	167.4	141.6	14.6	-179.8	0	0	0	121.2
933	P	31.6	Very low	32.4	Very low	96 Å²	96	136.9 Å²	136.9	62%	0.623	72%	0.721	S	S	*	*				-142.2	-168.8	-111.2	49.5	-30.3	0	0	0	118.2
934	L	32.7	Very low	32.3	Very low	146 Å²	146	134.9 Å²	134.9	76%	0.764	71%	0.706	S	S	*	*			trans	67.5	157.4	160.8	-59.3	172.2	0	0	0	115.7
935	D	28.1	Very low	32.3	Very low	128 Å²	128	127.6 Å²	127.6	68%	0.684	67%	0.672	S	S	*	*			cis	-155.4	175.2	-8.7	-124	-22.8	0	0	0	109.7
936	I	34.8	Very low	32.4	Very low	161 Å²	161	120.8 Å²	120.8	83%	0.826	64%	0.637	S	S	*	*			trans	143.3	116	147.6	-74.4	158.7	0	0	0	112.3
937	D	27.7	Very low	32.5	Very low	127 Å²	127	115.8 Å²	115.8	68%	0.679	61%	0.606	S	S	*	*			trans	-78	158.3	172.3	-76.8	-56.7	0	0	0	113.6
938	F	35	Very low	32.3	Very low	207 Å²	207	110.4 Å²	110.4	91%	0.908	58%	0.583	S	S	*	*				-156.3	148	123.3	-103.7	-68	0	0	0	111.9
939	N	27.4	Very low	32.3	Very low	116 Å²	116	107.4 Å²	107.4	62%	0.62	56%	0.563	S	S	*	*			trans	-105.3	154.8	-163.6	-78.8	-91.6	0	0	0	114.5
940	L	30.8	Very low	32.6	Very low	159 Å²	159	106.3 Å²	106.3	83%	0.832	56%	0.557	S	S	*	*				165.6	150.4	113.2	-85.1	171.7	0	0	0	114.7
941	S	27.6	Very low	32.7	Very low	72 Å²	72	103.8 Å²	103.8	50%	0.503	55%	0.549	S	S	.	.			trans	-160.9	153.9	-172.8	63.4	0	0	0	0	118.4
942	A	29.4	Very low	32.8	Very low	50 Å²	50	100.9 Å²	100.9	41%	0.413	55%	0.545	S	S	.	.			trans	77.2	136.4	138.6	0	0	0	0	0	127.4	S114	S114-A942 VanDerWaalsContact CB-CA 3.48Å
943	S	30.1	Very low	33	Very low	64 Å²	64	99.9 Å²	99.9	45%	0.448	55%	0.55	S	S	.	*			trans	177.7	167.4	156.2	-73.3	0	0	0	0	112.8	P112 F113 S114	P112-S943 CarbonylContact C-O 3Å; P112-S943 CarbonylContact O-C 3.58Å; F113-S943 CarbonylContact C-O 3.29Å; F113-S943 WeakPolarHBondContact CA-O 3.22Å; F113-S943 PolarHBondContact N-O 3.05Å; S114-S943 PolarHBondContact N-O 2.91Å
944	F	32.1	Very low	33.5	Very low	99 Å²	99	102.1 Å²	102.1	43%	0.434	56%	0.557	S	S	.	*			cis	-174.6	133.1	-35.5	-80.7	-31.5	0	0	0	116.8	P112 C201	P112-F944 CarbonylContact O-C 3.59Å; P112-F944 WeakPolarHBondContact O-CA 3.22Å; P112-F944 PolarHBondContact O-N 3.11Å; C201-F944 VanDerWaalsContact CB-C 3.44Å; C201-F944 HydrophobicContact CB-CB 3.8Å; C201-F944 HydrophobicContact CB-CG 4.49Å; C201-F944 VanDerWaalsContact SG-C 3.59Å; C201-F944 WeakPolarHBondContact SG-CA 3.38Å; C201-F944 WeakPolarHBondContact SG-CB 3.33Å; C201-F944 WeakPolarHBondContact SG-CD1 3.33Å; C201-F944 WeakPolarHBondContact SG-CG 3.36Å
945	N	37.9	Very low	33.6	Very low	19 Å²	19	102.2 Å²	102.2	10%	0.102	56%	0.558	C	S	.	*			trans	-65.9	-130.5	178.4	-31.4	-101	0	0	0	122.3	T91 F113 T117 L198 C201	T91-N945 CarbonylContact O-C 3.49Å; F113-N945 HydrophobicContact CD1-CB 4.35Å; F113-N945 WeakPolarHBondContact CD1-OD1 3.34Å; F113-N945 HydrophobicContact CE1-CB 3.92Å; F113-N945 WeakPolarHBondContact CE1-OD1 3.35Å; T117-N945 WeakPolarHBondContact CG2-OD1 3.35Å; L198-N945 HydrophobicContact CD1-CB 4.25Å; L198-N945 VanDerWaalsContact CD1-CG 3.48Å; L198-N945 WeakPolarHBondContact CD1-OD1 3.44Å; L198-N945 PolarHBondContact O-ND2 2.81Å; C201-N945 VanDerWaalsContact C-C 3.49Å; C201-N945 CarbonylContact C-O 3.39Å; C201-N945 HydrophobicContact CB-CB 3.72Å; C201-N945 WeakPolarHBondContact CB-O 3.42Å; C201-N945 CarbonylContact O-C 3.31Å; C201-N945 PolarHBondContact SG-N 2.67Å; C201-N945 PolarHBondContact SG-ND2 3.02Å; C201-N945 VanDerWaalsContact SG-ND2 3.45Å
946	N	34	Very low	34	Very low	3 Å²	3	101.4 Å²	101.4	2%	0.016	56%	0.559	C	S	.	*			cis	-153.2	-177.3	-11.7	-134.5	62.4	0	0	0	118.9	V90 T91 G92 L198 C201 R202	V90-N946 CarbonylContact C-O 3.06Å; V90-N946 VanDerWaalsContact CA-O 3.22Å; V90-N946 WeakPolarHBondContact CA-O 3.26Å; V90-N946 WeakPolarHBondContact CG1-O 3.33Å; T91-N946 WeakPolarHBondContact CA-O 3.49Å; T91-N946 PolarHBondContact N-O 2.76Å; T91-N946 WeakPolarHBondContact O-CA 3.09Å; T91-N946 PolarHBondContact O-N 3.46Å; G92-N946 VanDerWaalsContact N-CA 3.3Å; G92-N946 PolarHBondContact N-OD1 3.13Å; L198-N946 WeakPolarHBondContact CD1-OD1 3.28Å; L198-N946 WeakPolarHBondContact O-CB 3.23Å; L198-N946 PolarHBondContact O-OD1 2.71Å; C201-N946 HydrophobicContact CB-CB 4.17Å; C201-N946 PolarHBondContact O-N 3.29Å; R202-N946 HydrophobicContact CB-CB 4.33Å; R202-N946 HydrophobicContact CG-CB 3.9Å; R202-N946 PolarHBondContact NE-ND2 2.62Å; R202-N946 PolarHBondContact NH2-ND2 3.49Å
947	D	39.3	Very low	34	Very low	22 Å²	22	99.9 Å²	99.9	12%	0.118	56%	0.563	C	S	.	*			trans	-114.8	177.5	-153.4	48.5	-133.4	0	0	0	127	T91 G92 R202	T91-D947 HydrophobicContact CG2-CB 3.33Å; G92-D947 WeakPolarHBondContact CA-OD1 3.47Å; R202-D947 WeakPolarHBondContact CG-O 3.39Å; R202-D947 IonicContact CZ-OD2 3.04Å; R202-D947 PolarHBondContact NE-O 2.83Å; R202-D947 IonicContact NE-OD2 2.75Å; R202-D947 PolarHBondContact NE-OD2 2.82Å; R202-D947 IonicContact NH2-OD2 2.61Å; R202-D947 PolarHBondContact NH2-OD2 3.5Å
948	N	31.7	Very low	34.2	Very low	75 Å²	75	102.2 Å²	102.2	40%	0.401	57%	0.57	S	S	.	*			trans	-158.5	177.8	-177.6	-133.1	5.5	0	0	0	122.8	L666 P667 N668	L666-N948 WeakPolarHBondContact CB-OD1 3.44Å; P667-N948 PolarHBondContact O-ND2 2.82Å; P667-N948 PolarHBondContact O-OD1 3Å; N668-N948 WeakPolarHBondContact CA-ND2 3.41Å; N668-N948 PolarHBondContact OD1-ND2 2.7Å
949	F	32.5	Very low	33.9	Very low	80 Å²	80	100.2 Å²	100.2	35%	0.351	56%	0.564	S	S	.	*			trans	-157.9	168.5	-170.8	144.6	-74.7	0	0	0	121.7	C665 L666 D951	C665-F949 HydrophobicContact CB-CD1 3.79Å; C665-F949 HydrophobicContact CB-CE1 3.38Å; C665-F949 HydrophobicContact CB-CZ 3.88Å; L666-F949 HydrophobicContact CB-CB 4.31Å; L666-F949 HydrophobicContact CB-CD1 4.12Å; L666-F949 HydrophobicContact CD1-CB 4.22Å; F949-D951 HydrophobicContact CE2-CB 4.14Å; F949-D951 HydrophobicContact CZ-CB 3.83Å
950	L	40.4	Very low	33.9	Very low	124 Å²	124	106 Å²	106	65%	0.649	58%	0.577	S	S	*	*			trans	-165.8	164.2	157.8	-118	174	0	0	0	120.4
951	D	37.2	Very low	33.8	Very low	123 Å²	123	104.8 Å²	104.8	66%	0.658	57%	0.571	S	S	*	*			trans	-170.7	0	-172	-164.4	22.4	0	0	0	113.5	F949	F949-D951 HydrophobicContact CE2-CB 4.14Å; F949-D951 HydrophobicContact CZ-CB 3.83Å
952	P	38.9	Very low	33.8	Very low	103 Å²	103	108 Å²	108	67%	0.669	58%	0.582	S	S	*	*				0	-166.6	0	41.2	-20.5	0	0	0	118.2
953	S	33.6	Very low	33.6	Very low	123 Å²	123	110.4 Å²	110.4	86%	0.86	60%	0.597	S	S	*	*			trans	-168.6	154.7	166.3	-77.5	0	0	0	0	122.2
954	D	41.9	Very low	33.5	Very low	143 Å²	143	111.9 Å²	111.9	77%	0.765	61%	0.607	S	S	*	*			trans	100.8	115.2	149.3	-86.5	-11.2	0	0	0	129.7
955	L	35.4	Very low	33.2	Very low	149 Å²	149	114.7 Å²	114.7	78%	0.78	63%	0.626	S	S	*	*			trans	59.1	161.8	139.6	-66.8	169.3	0	0	0	125.2
956	P	36.6	Very low	32.9	Very low	110 Å²	110	120.1 Å²	120.1	71%	0.714	65%	0.653	S	S	*	*			cis	-136.5	-179.5	-30.8	40.5	-23.7	0	0	0	115.8
957	S	34	Very low	32.6	Very low	129 Å²	129	123.7 Å²	123.7	90%	0.902	68%	0.678	S	S	*	*			trans	-162.8	155.3	154.7	-82.5	0	0	0	0	112.1
958	Q	32.4	Very low	32.1	Very low	177 Å²	177	129.4 Å²	129.4	83%	0.827	71%	0.709	S	S	*	*			trans	-123.5	-160.8	-162.9	-143.3	-169.6	-33.6	0	0	115.7
959	E	29.5	Very low	32	Very low	165 Å²	165	131.6 Å²	131.6	77%	0.771	73%	0.725	S	S	*	*			trans	-92.8	-175.5	-150.6	-68.4	159.2	105.1	0	0	117.1
960	W	26.6	Very low	31.8	Very low	236 Å²	236	132.7 Å²	132.7	89%	0.894	74%	0.739	S	S	*	*			trans	-60.7	146.3	-179	-58.4	-45.4	0	0	0	115.8
961	N	28.1	Very low	31.5	Very low	134 Å²	134	133.7 Å²	133.7	72%	0.717	75%	0.745	S	S	*	*				144.1	148.2	118.7	-80.5	-56	0	0	0	113.9
962	N	27.4	Very low	31.1	Very low	139 Å²	139	133.5 Å²	133.5	74%	0.743	74%	0.744	S	S	*	*			trans	61.7	92.5	153.2	-61.6	-17	0	0	0	119.8
963	S	26.3	Very low	30.8	Very low	102 Å²	102	140 Å²	140	71%	0.713	76%	0.755	S	S	*	*				92.1	137.4	116.7	-58.3	0	0	0	0	120.8
964	S	27.2	Very low	30.9	Very low	95 Å²	95	138.5 Å²	138.5	66%	0.664	74%	0.744	S	S	*	*			trans	66.6	111.6	141.6	54.9	0	0	0	0	120.8
965	L	27.5	Very low	30.4	Very low	157 Å²	157	136.6 Å²	136.6	82%	0.822	74%	0.742	S	S	*	*			trans	71.5	150.4	138.1	-54.2	170.7	0	0	0	116
966	I	30.2	Very low	30.4	Very low	134 Å²	134	137.1 Å²	137.1	69%	0.687	74%	0.742	S	S	*	*			cis	-148.7	113.3	-6.1	-115	156.5	0	0	0	103.5
967	S	28.1	Very low	30.4	Very low	77 Å²	77	137.2 Å²	137.2	54%	0.538	74%	0.743	S	S	.	*				68.3	137	79.6	81.9	0	0	0	0	115.8
968	N	28.5	Very low	30.5	Very low	142 Å²	142	137.6 Å²	137.6	76%	0.759	74%	0.735	S	S	*	*			trans	76	149.2	151.8	-58	-9.2	0	0	0	117.3
969	T	29.6	Very low	30.5	Very low	121 Å²	121	133.9 Å²	133.9	74%	0.742	73%	0.729	S	S	*	*			cis	-153.9	160.5	-7.4	6.3	0	0	0	0	113.2
970	T	29	Very low	30.5	Very low	104 Å²	104	133.1 Å²	133.1	64%	0.638	73%	0.729	S	S	*	*			trans	-48.6	154.8	157.2	51.7	0	0	0	0	115.9
971	D	33.5	Very low	30.8	Very low	144 Å²	144	129.3 Å²	129.3	77%	0.77	73%	0.725	S	S	*	*				-163.6	135.8	123.2	-94.6	-21.5	0	0	0	108.8
972	N	29.8	Very low	31	Very low	119 Å²	119	127.9 Å²	127.9	64%	0.636	73%	0.725	S	S	*	*			cis	82.5	105.1	45.4	-70.6	-45.2	0	0	0	114.7
973	R	32.7	Very low	31.3	Very low	240 Å²	240	126.7 Å²	126.7	91%	0.906	72%	0.719	S	S	*	*			trans	157	154.4	137.4	-87.4	159.6	-169.6	-139.1	2.6	111
974	S	33.8	Very low	31.7	Very low	92 Å²	92	129.8 Å²	129.8	64%	0.643	72%	0.719	S	S	*	*			cis	-179.1	160.6	-34.2	51.4	0	0	0	0	108.4
975	S	33	Very low	31.9	Very low	103 Å²	103	129.7 Å²	129.7	72%	0.72	72%	0.724	S	S	*	*			trans	58	137.8	144.8	57.6	0	0	0	0	120.7
976	M	34.3	Very low	32.3	Very low	159 Å²	159	130.5 Å²	130.5	78%	0.783	72%	0.723	S	S	*	*			cis	-154	163.4	-11.3	-64.9	-162.6	60.1	0	0	108.8
977	P	37.2	Very low	32.5	Very low	112 Å²	112	131.3 Å²	131.3	73%	0.727	72%	0.724	S	S	*	*			trans	-103.4	146.5	151.9	36.6	-27.9	0	0	0	111.8
978	D	35.3	Very low	32.6	Very low	138 Å²	138	135.7 Å²	135.7	74%	0.738	74%	0.736	S	S	*	*			trans	-168.7	133.8	158.5	-124.8	-30.5	0	0	0	116.2
979	S	32.6	Very low	32.8	Very low	99 Å²	99	139 Å²	139	69%	0.692	74%	0.744	S	S	*	*			trans	62.7	168.8	145.1	87.3	0	0	0	0	120.5
980	L	30.7	Very low	32.8	Very low	149 Å²	149	141.9 Å²	141.9	78%	0.78	75%	0.749	S	S	*	*			cis	-168	170.1	-34.2	-107.1	176.6	0	0	0	109.2
981	L	32.4	Very low	33	Very low	155 Å²	155	142 Å²	142	81%	0.812	75%	0.751	S	S	*	*			trans	63.3	174.5	166	-87.7	68.5	0	0	0	117.6
982	C	31.3	Very low	33	Very low	104 Å²	104	141.8 Å²	141.8	70%	0.703	75%	0.745	S	S	*	*				-165.4	159.1	-61.8	-154.2	0	0	0	0	111.7
983	D	34	Very low	33	Very low	115 Å²	115	144.5 Å²	144.5	62%	0.615	75%	0.747	S	S	*	*			trans	63.1	122	147.4	-96.7	-0.5	0	0	0	124.8
984	K	34.3	Very low	33.2	Very low	167 Å²	167	138 Å²	138	73%	0.726	74%	0.736	S	S	*	*			trans	64.7	94.1	130.8	-65	176.7	-179.2	77.2	0	122.1
985	A	31.6	Very low	33.3	Very low	92 Å²	92	140.1 Å²	140.1	76%	0.76	74%	0.735	S	S	*	*				45	123.4	113.3	0	0	0	0	0	122.6
986	H	35.8	Very low	33.4	Very low	174 Å²	174	140.4 Å²	140.4	81%	0.806	73%	0.729	S	S	*	*			trans	-154.3	120.4	136.1	-103.3	-81.4	0	0	0	112.7
987	Q	34.7	Very low	33.2	Very low	152 Å²	152	140.1 Å²	140.1	71%	0.71	73%	0.73	S	S	*	*				40.7	113.4	129	-72.7	173.5	-29	0	0	123.6
988	Q	30.2	Very low	33	Very low	169 Å²	169	138.8 Å²	138.8	79%	0.79	73%	0.728	S	S	*	*				70.5	102.5	111.4	-165.5	-178.4	25.6	0	0	121.1
989	K	33.6	Very low	32.9	Very low	212 Å²	212	136.3 Å²	136.3	92%	0.922	73%	0.727	S	S	*	*			trans	-173.6	148.1	131.3	-104.1	160.8	-176	177.9	0	114
990	Q	29.8	Very low	32.7	Very low	181 Å²	181	140 Å²	140	85%	0.846	73%	0.733	S	S	*	*			trans	-110.7	173.7	165.3	-110.8	-173.5	8.2	0	0	107.9
991	P	32.8	Very low	32.9	Very low	107 Å²	107	139.5 Å²	139.5	70%	0.695	73%	0.731	S	S	*	*			cis	-155.1	169.7	42.8	44.6	-22.8	0	0	0	120.7
992	Q	32.7	Very low	32.8	Very low	138 Å²	138	138.4 Å²	138.4	65%	0.645	73%	0.726	S	S	*	*			trans	48.8	146.4	133.1	-154.7	-177.8	-2	0	0	126.1
993	W	30.3	Very low	32.7	Very low	177 Å²	177	137.7 Å²	137.7	67%	0.67	72%	0.719	S	S	*	*			trans	119.5	159.3	144.4	-67.5	101.9	0	0	0	114.8	E995	W993-E995 HydrophobicContact CE3-CG 3.78Å; W993-E995 HydrophobicContact CZ3-CG 3.76Å
994	P	36.8	Very low	32.4	Very low	102 Å²	102	139.4 Å²	139.4	66%	0.662	73%	0.725	S	S	*	*			cis	-122	154.5	-10.8	6.1	21.4	0	0	0	114.8
995	E	36.1	Very low	32.1	Very low	137 Å²	137	137.5 Å²	137.5	64%	0.64	72%	0.719	S	S	*	*				73.5	149.5	94.9	-63.7	-173.2	117.6	0	0	117.5	W993	W993-E995 HydrophobicContact CE3-CG 3.78Å; W993-E995 HydrophobicContact CZ3-CG 3.76Å
996	N	35	Very low	32	Very low	109 Å²	109	140.4 Å²	140.4	58%	0.583	72%	0.717	S	S	*	*			cis	-161.9	154.4	-3.8	-114.5	-19.5	0	0	0	113.3
997	L	29.9	Very low	31.6	Very low	154 Å²	154	136 Å²	136	81%	0.806	71%	0.705	S	S	*	*			trans	55.7	152.1	143.1	-59.4	168.6	0	0	0	121.1
998	A	33	Very low	31.5	Very low	83 Å²	83	135.7 Å²	135.7	69%	0.686	71%	0.707	S	S	*	*			cis	-171.5	168	-18.1	0	0	0	0	0	110.8
999	A	33	Very low	31.5	Very low	87 Å²	87	132.2 Å²	132.2	72%	0.719	70%	0.697	S	S	*	*			trans	60	128.9	161.7	0	0	0	0	0	118.4
1000	E	29.4	Very low	31.2	Very low	176 Å²	176	128.5 Å²	128.5	82%	0.822	69%	0.688	S	S	*	*			cis	87.9	146.5	39.5	-168.8	172.4	-119.5	0	0	113.3
1001	N	34.5	Very low	31.2	Very low	139 Å²	139	125.9 Å²	125.9	74%	0.743	68%	0.679	S	S	*	*			trans	79.8	153.5	-173.1	-46.9	-80.2	0	0	0	117
1002	D	29.1	Very low	31.2	Very low	132 Å²	132	125.5 Å²	125.5	71%	0.706	68%	0.679	S	S	*	*			cis	-165.7	173.2	-49.6	-142.2	-29.6	0	0	0	109.9
1003	T	29.9	Very low	31	Very low	89 Å²	89	128.5 Å²	128.5	55%	0.546	69%	0.686	S	S	.	*			trans	54.7	118.8	150	56.2	0	0	0	0	120.9
1004	M	26.9	Very low	31.1	Very low	151 Å²	151	130.8 Å²	130.8	74%	0.744	70%	0.695	S	S	*	*				70.9	159.6	125.2	-64.3	-163.2	-72.2	0	0	118.3
1005	Q	28.5	Very low	30.8	Very low	127 Å²	127	131.6 Å²	131.6	59%	0.593	69%	0.693	S	S	*	*			cis	-150.9	169.2	1.9	-134.4	160.1	-44.7	0	0	110.8
1006	E	29.4	Very low	30.6	Very low	153 Å²	153	130.8 Å²	130.8	72%	0.715	69%	0.693	S	S	*	*			trans	30.7	151.2	140.1	-77.2	156.2	-150.9	0	0	123.1
1007	S	28.5	Very low	30.2	Very low	80 Å²	80	131.9 Å²	131.9	56%	0.559	70%	0.699	S	S	*	*			cis	173.8	-176.6	-15.6	57.5	0	0	0	0	109.4
1008	I	31.1	Very low	30.3	Very low	146 Å²	146	131.1 Å²	131.1	75%	0.749	70%	0.701	S	S	*	*			trans	68.2	135.9	144.2	-76.1	171.3	0	0	0	117.1
1009	T	30.3	Very low	30.1	Very low	97 Å²	97	135.3 Å²	135.3	60%	0.595	71%	0.706	S	S	*	*			cis	-175.3	155	-11.2	34.8	0	0	0	0	107.9
1010	N	28.6	Very low	29.9	Very low	134 Å²	134	137 Å²	137	72%	0.717	71%	0.708	S	S	*	*			trans	63.8	160.3	140.6	-66.7	32.2	0	0	0	118.3
1011	D	28.5	Very low	29.7	Very low	125 Å²	125	137.7 Å²	137.7	67%	0.668	71%	0.708	S	S	*	*			cis	-158.7	-173.7	-8.3	-125.3	-38.7	0	0	0	112.1
1012	S	33.8	Very low	29.5	Very low	99 Å²	99	136.8 Å²	136.8	69%	0.692	71%	0.713	S	S	*	*			trans	82.1	81.6	147.8	63.9	0	0	0	0	120.7
1013	Y	27.6	Very low	29.6	Very low	201 Å²	201	136.1 Å²	136.1	79%	0.788	71%	0.714	S	S	*	*				-8.3	137.2	125.1	-62.6	-98.2	0	0	0	118.3
1014	W	33.6	Very low	29.6	Very low	225 Å²	225	137.8 Å²	137.8	85%	0.852	73%	0.729	S	S	*	*				-157.8	123.9	120.8	-86.4	92.9	0	0	0	105.8
1015	L	30.8	Very low	29.8	Very low	119 Å²	119	135.5 Å²	135.5	62%	0.623	73%	0.728	S	S	*	*				55.2	131.5	77.6	-67.2	169.2	0	0	0	112.5
1016	N	30.1	Very low	29.8	Very low	120 Å²	120	132.3 Å²	132.3	64%	0.642	73%	0.73	S	S	*	*			cis	-157.5	175.9	27.9	-134.9	-35	0	0	0	114.7
1017	N	27.6	Very low	29.9	Very low	132 Å²	132	131.9 Å²	131.9	71%	0.706	73%	0.731	S	S	*	*			trans	-40.6	159.1	171.9	-64.9	-61	0	0	0	116
1018	T	31.8	Very low	30	Very low	138 Å²	138	132.5 Å²	132.5	85%	0.847	73%	0.733	S	S	*	*				-152.6	163.2	53.6	46.7	0	0	0	0	117.6
1019	Q	29.4	Very low	30	Very low	171 Å²	171	134 Å²	134	80%	0.799	74%	0.74	S	S	*	*			trans	-66.1	171.6	168.9	-57.3	165.3	-20.5	0	0	111.5
1020	T	28.1	Very low	30.1	Very low	124 Å²	124	138 Å²	138	76%	0.761	75%	0.749	S	S	*	*			cis	-154.3	170.9	37.6	44.1	0	0	0	0	115
1021	F	26.4	Very low	30.1	Very low	189 Å²	189	139.2 Å²	139.2	83%	0.829	76%	0.755	S	S	*	*			trans	-40.9	159.2	164.1	-75.9	-99	0	0	0	115
1022	S	29.7	Very low	30.3	Very low	120 Å²	120	136.6 Å²	136.6	84%	0.839	75%	0.746	S	S	*	*				-157.7	-174.9	53.1	62.3	0	0	0	0	117
1023	T	30.6	Very low	30.2	Very low	118 Å²	118	139.3 Å²	139.3	72%	0.724	75%	0.748	S	S	*	*			trans	-101.5	151.6	-157	52.8	0	0	0	0	116.2
1024	S	30.2	Very low	30.4	Very low	125 Å²	125	134 Å²	134	87%	0.874	74%	0.74	S	S	*	*				-173.5	161.2	119.7	45.3	0	0	0	0	115
1025	S	31.5	Very low	30.4	Very low	102 Å²	102	126.6 Å²	126.6	71%	0.713	72%	0.723	S	S	*	*			trans	-64.3	152.8	-166.8	51	0	0	0	0	121.5
1026	G	27.8	Very low	30.6	Very low	61 Å²	61	124.5 Å²	124.5	63%	0.629	71%	0.714	S	S	*	*				151.9	91.8	128.2	0	0	0	0	0	123
1027	L	32.1	Very low	30.8	Very low	144 Å²	144	122.8 Å²	122.8	75%	0.754	71%	0.705	S	S	*	*			trans	60.1	179.3	156.5	-69.9	169.3	0	0	0	116.6
1028	P	29.8	Very low	31.1	Very low	92 Å²	92	122.6 Å²	122.6	60%	0.597	70%	0.702	S	S	*	*			cis	-124.5	-179.7	-11.1	41.5	-27	0	0	0	115.1	F1030	P1028-F1030 HydrophobicContact CG-CD2 4.13Å; P1028-F1030 HydrophobicContact CG-CE2 4.06Å
1029	M	32.4	Very low	31.3	Very low	179 Å²	179	123.5 Å²	123.5	88%	0.882	69%	0.694	S	S	*	*			trans	-160.7	103	150.5	-114.2	-170.8	-72.3	0	0	107.1
1030	F	31.9	Very low	31.8	Very low	179 Å²	179	121.4 Å²	121.4	79%	0.785	69%	0.685	S	S	*	*				63.3	96.7	78.6	-80.7	-75	0	0	0	115.5	P1028	P1028-F1030 HydrophobicContact CG-CD2 4.13Å; P1028-F1030 HydrophobicContact CG-CE2 4.06Å
1031	L	29.3	Very low	32.3	Very low	161 Å²	161	121.5 Å²	121.5	84%	0.843	68%	0.676	S	S	*	*			trans	-98.3	154.1	146.8	-69.3	171.1	0	0	0	107.7
1032	S	31.3	Very low	32.9	Very low	70 Å²	70	116.5 Å²	116.5	49%	0.49	66%	0.658	S	S	.	*			trans	-80.5	142.1	-170.6	55.2	0	0	0	0	114.2	S1034 S1035	S1032-S1034 VanDerWaalsContact C-N 3.29Å; S1032-S1034 PolarHBondContact O-N 2.79Å; S1032-S1035 VanDerWaalsContact O-CB 3.24Å; S1032-S1035 WeakPolarHBondContact O-CB 3.19Å; S1032-S1035 PolarHBondContact O-N 2.86Å; S1032-S1035 PolarHBondContact O-OG 3.44Å; S1032-S1035 PolarHBondContact OG-OG 2.7Å
1033	E	31.5	Very low	33.5	Very low	156 Å²	156	117.3 Å²	117.3	73%	0.729	65%	0.647	S	S	*	*	H	α-helix	trans	-56.1	-38.6	-178.7	-67.8	166.4	117.7	0	0	112.9	S1035 V1036 N1037	E1033-S1035 PolarHBondContact O-N 3.36Å; E1033-S1035 VanDerWaalsContact O-N 3.09Å; E1033-V1036 WeakPolarHBondContact O-CA 3.47Å; E1033-V1036 WeakPolarHBondContact O-CB 3.42Å; E1033-V1036 PolarHBondContact O-N 2.86Å; E1033-N1037 PolarHBondContact O-N 2.79Å; E1033-N1037 PolarHBondContact O-OD1 2.78Å
1034	S	33.3	Very low	34.3	Very low	88 Å²	88	115.5 Å²	115.5	62%	0.615	64%	0.636	S	S	*	*	H	α-helix	trans	-58.7	-25.6	176.1	-41.7	0	0	0	0	113.6	S1032 M1038	S1032-S1034 VanDerWaalsContact C-N 3.29Å; S1032-S1034 PolarHBondContact O-N 2.79Å; S1034-M1038 PolarHBondContact O-N 2.84Å
1035	S	32.3	Very low	34.8	Very low	71 Å²	71	115.8 Å²	115.8	50%	0.497	62%	0.623	S	S	.	*	H	α-helix	trans	-78.5	-26.6	175.9	-50.5	0	0	0	0	112.5	S1032 E1033	S1032-S1035 VanDerWaalsContact O-CB 3.24Å; S1032-S1035 WeakPolarHBondContact O-CB 3.19Å; S1032-S1035 PolarHBondContact O-N 2.86Å; S1032-S1035 PolarHBondContact O-OG 3.44Å; S1032-S1035 PolarHBondContact OG-OG 2.7Å; E1033-S1035 PolarHBondContact O-N 3.36Å; E1033-S1035 VanDerWaalsContact O-N 3.09Å
1036	V	36.4	Very low	35.3	Very low	74 Å²	74	113.7 Å²	113.7	45%	0.448	60%	0.604	S	S	.	*	H	α-helix	trans	-80.2	-50.6	174	-178.4	0	0	0	0	109	E1033 M1038 F1039 E1040	E1033-V1036 WeakPolarHBondContact O-CA 3.47Å; E1033-V1036 WeakPolarHBondContact O-CB 3.42Å; E1033-V1036 PolarHBondContact O-N 2.86Å; V1036-M1038 PolarHBondContact O-N 3.27Å; V1036-F1039 CarbonylContact O-C 3.34Å; V1036-F1039 WeakPolarHBondContact O-CA 3.49Å; V1036-F1039 WeakPolarHBondContact O-CB 3.29Å; V1036-F1039 PolarHBondContact O-N 2.79Å; V1036-E1040 HydrophobicContact CG1-CG 4.25Å; V1036-E1040 PolarHBondContact O-N 3.23Å
1037	N	34.2	Very low	36.3	Very low	84 Å²	84	113.8 Å²	113.8	45%	0.449	59%	0.593	S	S	.	*	H	α-helix	trans	-59.9	-46.1	-177	-65	15.9	0	0	0	112.1	E1033 F1039 E1040 E1041	E1033-N1037 PolarHBondContact O-N 2.79Å; E1033-N1037 PolarHBondContact O-OD1 2.78Å; N1037-F1039 PolarHBondContact O-N 2.9Å; N1037-E1040 PolarHBondContact O-N 3.4Å; N1037-E1041 WeakPolarHBondContact O-CB 3.34Å; N1037-E1041 WeakPolarHBondContact O-CG 3.05Å; N1037-E1041 PolarHBondContact O-N 3.08Å
1038	M	34.2	Very low	37.1	Very low	129 Å²	129	110 Å²	110	64%	0.635	58%	0.575	S	S	*	*	H	α-helix	trans	-63.4	-24.9	175.2	-78.5	-150.8	-57.5	0	0	113.4	S1034 V1036 N1042	S1034-M1038 PolarHBondContact O-N 2.84Å; V1036-M1038 PolarHBondContact O-N 3.27Å; M1038-N1042 VanDerWaalsContact O-CB 3.3Å; M1038-N1042 WeakPolarHBondContact O-CB 3.34Å; M1038-N1042 PolarHBondContact O-N 3.24Å; M1038-N1042 PolarHBondContact O-ND2 3.29Å
1039	F	34.6	Very low	37.8	Very low	157 Å²	157	110.8 Å²	110.8	69%	0.689	57%	0.566	S	S	*	*	H	α-helix	trans	-81.8	-39.6	176	-148.1	-88.1	0	0	0	111.3	V1036 N1037 F1043	V1036-F1039 CarbonylContact O-C 3.34Å; V1036-F1039 WeakPolarHBondContact O-CA 3.49Å; V1036-F1039 WeakPolarHBondContact O-CB 3.29Å; V1036-F1039 PolarHBondContact O-N 2.79Å; N1037-F1039 PolarHBondContact O-N 2.9Å; F1039-F1043 WeakPolarHBondContact O-CB 3.3Å; F1039-F1043 PolarHBondContact O-N 2.75Å
1040	E	39.7	Very low	38.2	Very low	127 Å²	127	109 Å²	109	59%	0.593	56%	0.557	S	S	*	*	H	α-helix	trans	-70.9	-40.6	175	-68.8	-157.7	141	0	0	112.8	V1036 N1037 F1043 T1044	V1036-E1040 HydrophobicContact CG1-CG 4.25Å; V1036-E1040 PolarHBondContact O-N 3.23Å; N1037-E1040 PolarHBondContact O-N 3.4Å; E1040-F1043 PolarHBondContact O-N 3.38Å; E1040-T1044 WeakPolarHBondContact O-CB 3.05Å; E1040-T1044 WeakPolarHBondContact O-CG2 3.37Å; E1040-T1044 PolarHBondContact O-N 3.26Å; E1040-T1044 PolarHBondContact O-OG1 3.02Å
1041	E	40.2	Very low	38.6	Very low	125 Å²	125	105.2 Å²	105.2	58%	0.584	55%	0.552	S	S	*	*	H	α-helix	trans	-64.7	-47.9	174.8	-72	-179.6	143.5	0	0	111	N1037 F1043 T1044 E1045	N1037-E1041 WeakPolarHBondContact O-CB 3.34Å; N1037-E1041 WeakPolarHBondContact O-CG 3.05Å; N1037-E1041 PolarHBondContact O-N 3.08Å; E1041-F1043 VanDerWaalsContact C-N 3.34Å; E1041-F1043 PolarHBondContact O-N 3.43Å; E1041-T1044 PolarHBondContact O-OG1 2.71Å; E1041-E1045 VanDerWaalsContact O-CB 3.22Å; E1041-E1045 WeakPolarHBondContact O-CB 3.36Å; E1041-E1045 PolarHBondContact O-N 2.93Å
1042	N	39	Very low	39.4	Very low	85 Å²	85	103.1 Å²	103.1	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-65.5	-36.2	174.4	-84.2	-90.2	0	0	0	112.2	M1038 N1046	M1038-N1042 VanDerWaalsContact O-CB 3.3Å; M1038-N1042 WeakPolarHBondContact O-CB 3.34Å; M1038-N1042 PolarHBondContact O-N 3.24Å; M1038-N1042 PolarHBondContact O-ND2 3.29Å; N1042-N1046 VanDerWaalsContact O-CB 3.22Å; N1042-N1046 WeakPolarHBondContact O-CB 2.97Å; N1042-N1046 PolarHBondContact O-N 3.19Å; N1042-N1046 PolarHBondContact O-ND2 3.24Å
1043	F	42.5	Very low	39.9	Very low	137 Å²	137	108.8 Å²	108.8	60%	0.601	56%	0.56	S	S	*	*	H	α-helix	trans	-70.1	-45.6	179.1	-171.3	-99.6	0	0	0	111.1	F1039 E1040 E1041 V1047	F1039-F1043 WeakPolarHBondContact O-CB 3.3Å; F1039-F1043 PolarHBondContact O-N 2.75Å; E1040-F1043 PolarHBondContact O-N 3.38Å; E1041-F1043 VanDerWaalsContact C-N 3.34Å; E1041-F1043 PolarHBondContact O-N 3.43Å; F1043-V1047 HydrophobicContact CD1-CG2 4.18Å; F1043-V1047 HydrophobicContact CE1-CG2 3.95Å; F1043-V1047 HydrophobicContact CE2-CG2 4.43Å; F1043-V1047 HydrophobicContact CZ-CG2 4.08Å; F1043-V1047 VanDerWaalsContact O-CB 3.23Å; F1043-V1047 WeakPolarHBondContact O-CB 3.45Å; F1043-V1047 WeakPolarHBondContact O-CG2 3.41Å; F1043-V1047 PolarHBondContact O-N 2.7Å
1044	T	45.9	Very low	40.3	Very low	80 Å²	80	106.5 Å²	106.5	49%	0.491	55%	0.552	S	S	.	*	H	α-helix	trans	-66.3	-41.7	175.6	52.3	0	0	0	0	112	E1040 E1041 V1047 V1048	E1040-T1044 WeakPolarHBondContact O-CB 3.05Å; E1040-T1044 WeakPolarHBondContact O-CG2 3.37Å; E1040-T1044 PolarHBondContact O-N 3.26Å; E1040-T1044 PolarHBondContact O-OG1 3.02Å; E1041-T1044 PolarHBondContact O-OG1 2.71Å; T1044-V1047 PolarHBondContact O-N 2.8Å; T1044-V1048 WeakPolarHBondContact O-CB 3.5Å; T1044-V1048 WeakPolarHBondContact O-CG2 3.14Å; T1044-V1048 PolarHBondContact O-N 2.95Å
1045	E	42.2	Very low	40.7	Very low	130 Å²	130	107.4 Å²	107.4	61%	0.607	55%	0.549	S	S	*	.	H	α-helix	trans	-67.7	-40.7	176.7	-168.3	-179.5	-133.1	0	0	112.1	E1041 R1049	E1041-E1045 VanDerWaalsContact O-CB 3.22Å; E1041-E1045 WeakPolarHBondContact O-CB 3.36Å; E1041-E1045 PolarHBondContact O-N 2.93Å; E1045-R1049 VanDerWaalsContact O-CB 3.31Å; E1045-R1049 WeakPolarHBondContact O-CB 3.38Å; E1045-R1049 PolarHBondContact O-N 3.43Å
1046	N	42	Very low	41.2	Very low	58 Å²	58	109.4 Å²	109.4	31%	0.31	55%	0.552	S	S	.	*	H	α-helix	trans	-69.2	-35.2	174.5	-77	-73.7	0	0	0	112.5	N1042 R1049 M1050	N1042-N1046 VanDerWaalsContact O-CB 3.22Å; N1042-N1046 WeakPolarHBondContact O-CB 2.97Å; N1042-N1046 PolarHBondContact O-N 3.19Å; N1042-N1046 PolarHBondContact O-ND2 3.24Å; N1046-R1049 PolarHBondContact O-N 3.4Å; N1046-R1049 VanDerWaalsContact OD1-CZ 3.28Å; N1046-R1049 PolarHBondContact OD1-NH1 3.24Å; N1046-R1049 PolarHBondContact OD1-NH2 2.94Å; N1046-M1050 WeakPolarHBondContact O-CB 3.43Å; N1046-M1050 WeakPolarHBondContact O-CG 3.24Å; N1046-M1050 PolarHBondContact O-N 2.84Å
1047	V	48.8	Very low	41.5	Very low	64 Å²	64	111.5 Å²	111.5	39%	0.388	56%	0.558	S	S	.	*	H	α-helix	trans	-69.9	-42.9	174.2	166.9	0	0	0	0	111.2	F1043 T1044 R1049 M1050 C1051	F1043-V1047 HydrophobicContact CD1-CG2 4.18Å; F1043-V1047 HydrophobicContact CE1-CG2 3.95Å; F1043-V1047 HydrophobicContact CE2-CG2 4.43Å; F1043-V1047 HydrophobicContact CZ-CG2 4.08Å; F1043-V1047 VanDerWaalsContact O-CB 3.23Å; F1043-V1047 WeakPolarHBondContact O-CB 3.45Å; F1043-V1047 WeakPolarHBondContact O-CG2 3.41Å; F1043-V1047 PolarHBondContact O-N 2.7Å; T1044-V1047 PolarHBondContact O-N 2.8Å; V1047-R1049 VanDerWaalsContact C-N 3.33Å; V1047-R1049 PolarHBondContact O-N 2.88Å; V1047-M1050 CarbonylContact O-C 3.58Å; V1047-M1050 PolarHBondContact O-N 3.26Å; V1047-C1051 WeakPolarHBondContact O-CB 3.47Å; V1047-C1051 PolarHBondContact O-N 2.91Å; V1047-C1051 PolarHBondContact O-SG 3.2Å
1048	V	48.9	Very low	41.9	Very low	64 Å²	64	113.3 Å²	113.3	39%	0.388	56%	0.564	S	S	.	*	H	α-helix	trans	-62.2	-39.9	173.2	166.7	0	0	0	0	110.6	T707 T1044 C1051 N1052	T707-V1048 HydrophobicContact CG2-CG1 4.36Å; T1044-V1048 WeakPolarHBondContact O-CB 3.5Å; T1044-V1048 WeakPolarHBondContact O-CG2 3.14Å; T1044-V1048 PolarHBondContact O-N 2.95Å; V1048-C1051 CarbonylContact O-C 3.55Å; V1048-C1051 PolarHBondContact O-N 3.09Å; V1048-N1052 WeakPolarHBondContact CG1-ND2 3.21Å; V1048-N1052 WeakPolarHBondContact O-CB 3.47Å; V1048-N1052 VanDerWaalsContact O-CG 3.24Å; V1048-N1052 PolarHBondContact O-N 3.41Å; V1048-N1052 VanDerWaalsContact O-N 3.11Å; V1048-N1052 PolarHBondContact O-ND2 3.17Å
1049	R	43.7	Very low	42.4	Very low	109 Å²	109	112.2 Å²	112.2	41%	0.411	56%	0.56	S	S	.	*	H	α-helix	trans	-65.9	-45.4	173.7	-161.1	177.5	69.1	-102.1	-8.8	111.8	E1045 N1046 V1047 C1051 N1052 E1053	E1045-R1049 VanDerWaalsContact O-CB 3.31Å; E1045-R1049 WeakPolarHBondContact O-CB 3.38Å; E1045-R1049 PolarHBondContact O-N 3.43Å; N1046-R1049 PolarHBondContact O-N 3.4Å; N1046-R1049 VanDerWaalsContact OD1-CZ 3.28Å; N1046-R1049 PolarHBondContact OD1-NH1 3.24Å; N1046-R1049 PolarHBondContact OD1-NH2 2.94Å; V1047-R1049 VanDerWaalsContact C-N 3.33Å; V1047-R1049 PolarHBondContact O-N 2.88Å; R1049-C1051 PolarHBondContact O-N 2.87Å; R1049-C1051 VanDerWaalsContact O-N 3.13Å; R1049-N1052 PolarHBondContact O-N 3.15Å; R1049-E1053 WeakPolarHBondContact CD-OE1 3.45Å; R1049-E1053 HydrophobicContact CG-CG 4.25Å; R1049-E1053 VanDerWaalsContact CG-OE1 3.31Å; R1049-E1053 WeakPolarHBondContact CG-OE1 3.43Å; R1049-E1053 IonicContact NE-OE1 2.71Å; R1049-E1053 PolarHBondContact NE-OE1 3.35Å; R1049-E1053 PolarHBondContact O-N 2.89Å
1050	M	41	Very low	43	Very low	141 Å²	141	109 Å²	109	70%	0.695	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-6.8	172.8	-79	-171.1	62.9	0	0	115.1	N1046 V1047	N1046-M1050 WeakPolarHBondContact O-CB 3.43Å; N1046-M1050 WeakPolarHBondContact O-CG 3.24Å; N1046-M1050 PolarHBondContact O-N 2.84Å; V1047-M1050 CarbonylContact O-C 3.58Å; V1047-M1050 PolarHBondContact O-N 3.26Å
1051	C	40.7	Very low	43.3	Very low	99 Å²	99	107.6 Å²	107.6	67%	0.669	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-1.6	171.4	-63.4	0	0	0	0	113	V1047 V1048 R1049	V1047-C1051 WeakPolarHBondContact O-CB 3.47Å; V1047-C1051 PolarHBondContact O-N 2.91Å; V1047-C1051 PolarHBondContact O-SG 3.2Å; V1048-C1051 CarbonylContact O-C 3.55Å; V1048-C1051 PolarHBondContact O-N 3.09Å; R1049-C1051 PolarHBondContact O-N 2.87Å; R1049-C1051 VanDerWaalsContact O-N 3.13Å
1052	N	45.2	Very low	43.5	Very low	117 Å²	117	106.2 Å²	106.2	63%	0.626	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-21.3	175.1	-72.9	-35.8	0	0	0	112.7	V1048 R1049	V1048-N1052 WeakPolarHBondContact CG1-ND2 3.21Å; V1048-N1052 WeakPolarHBondContact O-CB 3.47Å; V1048-N1052 VanDerWaalsContact O-CG 3.24Å; V1048-N1052 PolarHBondContact O-N 3.41Å; V1048-N1052 VanDerWaalsContact O-N 3.11Å; V1048-N1052 PolarHBondContact O-ND2 3.17Å; R1049-N1052 PolarHBondContact O-N 3.15Å
1053	E	42.3	Very low	43.9	Very low	190 Å²	190	108.1 Å²	108.1	89%	0.888	55%	0.552	S	S	*	*			trans	-82.2	0	168.2	-70.5	174.9	-173.4	0	0	112	R1049	R1049-E1053 WeakPolarHBondContact CD-OE1 3.45Å; R1049-E1053 HydrophobicContact CG-CG 4.25Å; R1049-E1053 VanDerWaalsContact CG-OE1 3.31Å; R1049-E1053 WeakPolarHBondContact CG-OE1 3.43Å; R1049-E1053 IonicContact NE-OE1 2.71Å; R1049-E1053 PolarHBondContact NE-OE1 3.35Å; R1049-E1053 PolarHBondContact O-N 2.89Å

Retrieved 1,053 of 1,053 residues in 271.2 ms (Link to these results)

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