A0A096MZD4_PAPAN Loading...

Bone morphogenetic protein receptor type-2

On ligand binding, forms a receptor complex consisting of two type II and two type I transmembrane serine/threonine kinases. Type II receptors phosphorylate and activate type I receptors which autophosphorylate, then bind and activate SMAD transcriptional regulators. Can also mediate signaling through the activation of the p38MAPK cascade. Binds to BMP7, BMP2 and, less efficiently, BMP4. Binding is weak but enhanced by the presence of type I receptors for BMPs. Mediates induction of adipogenesis by GDF6. Promotes signaling also by binding to activin A/INHBA.

AlphaFold DB , UniProt , Accession A0A096MZD4, Species PAPAN (Papio anubis, Olive baboon), Gene BMPR2, Length 1,038 aa.

						>A0A096MZD4_PAPAN|A0A096MZD4|BMPR2
MTSSLQRPWRVPWLPWTILLVGTAAASQNQERLCAFKDPYQQDLGIGESRISHENGTILCSKGSTCYGLWEKSKGDINLVKQGCWSHIGDPQECHYEECVVTTTPPSIQNGTYRFCCCSTDLCNVNFTENFPPPDTTPLSPPHSFNRDETIIIALASVSVLTVLIVALCFGYRMLTGDRKQGLHSMNMMEAAASEPSLDLDNLKLLELIGRGRYGAVYKGSLDERPVAVKVFSFANRQNFINEKNIYRVPLMEHDNIARFIVGDERVTADGRMEYLLVMEYYPNGSLCKYLSLHTSDWVSSCRLAHSVTRGLAYLHTELPRGDHYKPAISHRDLNSRNVLVKNDGTCVISDFGLSMRLTGNRLVRPGEEDNAAISEVGTIRYMAPEVLEGAVNLRDCESALKQVDMYALGLIYWEIFMRCTDLFPGESIPEYQMAFQTEVGNHPTFEDMQVLVSREKQRPKFPEAWKENSLAVRSLKETIEDCWDQDAEARLTAQCAEERMAELMMIWERNKSVSPTVNPMTTAMQNERNLSHNRRVPKIGPYPDYSSSSYIEDSIHHTDSIVKNISSEHSMSSTPLTIGEKNRNSINYERQQAQARIPSPETSVTSLSTNTTTTNTTGLTPSTGMTTISEMPYPDETNLHATNVAQSIGPTPVCLQLTEEDLETNKLDPKEVDKNLKESSDENLMEHSLKQFSGPDPLSSTSSSLLYPLIKLAVEATGQQDFTQAANGQACLIPDVLPTQIYPLPKQQNLPKRPTSLPLNTKNSTKEPRLKFGSKHKSNLKQVETGVAKMNTINAAEPHVVTVTMNGVAGRNHSVNSHAATTQYANGTVPSGQTTNIVTHRAQEMLQNQFIGEDTRLNINSSPDEHEPLLRREQQVGHDEGVLDRLVDRRDRPLEGGRTNSNNNNSNPCSEQDVLTQVVPSTVADPGPSKPRRAQRPNSLDLSATNVLDGSSIQIGESTQDGKSGSGEKIKKRVKTPYSLKRWRPSTWVISTESLDCEVNNNGSNRAVHSKSSTAVYLAEGGTATTMVSKDIGMNCL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	30.3	Very low	228 Å²	228	152.5 Å²	152.5	100%	1.123	77%	0.77	S	S	*	*				0	154	0	-70.8	152.1	84.1	0	0	108.1
2	T	30.8	Very low	31.4	Very low	122 Å²	122	147.8 Å²	147.8	75%	0.748	76%	0.758	S	S	*	*			trans	47.3	99.3	151.7	51.8	0	0	0	0	118.3
3	S	29.3	Very low	31.1	Very low	106 Å²	106	154.2 Å²	154.2	74%	0.741	77%	0.767	S	S	*	*				79.5	147	77.2	69	0	0	0	0	112.8
4	S	30.9	Very low	31.1	Very low	99 Å²	99	153.9 Å²	153.9	69%	0.692	77%	0.769	S	S	*	*			cis	-178.3	159.6	0.5	35.5	0	0	0	0	107.4
5	L	29.3	Very low	31.7	Very low	147 Å²	147	150.2 Å²	150.2	77%	0.77	76%	0.76	S	S	*	*			cis	-166.1	155	-8.5	-122.9	59.5	0	0	0	104.2
6	Q	26.9	Very low	31.3	Very low	164 Å²	164	155.4 Å²	155.4	77%	0.766	77%	0.767	S	S	*	*			cis	-162.5	-176.4	-9.3	-139.6	-179.7	-31	0	0	111
7	R	29.5	Very low	31.1	Very low	203 Å²	203	152.4 Å²	152.4	77%	0.766	76%	0.76	S	S	*	*			trans	-127.6	174.4	155.6	-80.3	-179	172.6	-175.1	-1.9	105.7
8	P	46	Very low	31.1	Very low	103 Å²	103	152.2 Å²	152.2	67%	0.669	76%	0.76	S	S	*	*			cis	-146	-179.4	28.8	43.2	-19.1	0	0	0	115.7
9	W	25.4	Very low	31.1	Very low	183 Å²	183	152.1 Å²	152.1	69%	0.693	76%	0.762	S	S	*	*				41.3	149.7	98	-41.6	38.4	0	0	0	116.1
10	R	25.6	Very low	31	Very low	197 Å²	197	152.1 Å²	152.1	74%	0.743	76%	0.763	S	S	*	*			cis	-146.8	154.7	18.5	-102.8	118	-168.7	-105.7	-0.1	108.6
11	V	27.9	Very low	31	Very low	125 Å²	125	151.4 Å²	151.4	76%	0.758	77%	0.767	S	S	*	*				54	139.4	78.1	-176.5	0	0	0	0	114.5
12	P	43.4	Very low	30.8	Very low	96 Å²	96	143.7 Å²	143.7	62%	0.623	75%	0.745	S	S	*	*			cis	-95.8	-134.5	-4.8	37.5	-27.3	0	0	0	112.7
13	W	26.7	Very low	30.9	Very low	231 Å²	231	144.4 Å²	144.4	88%	0.875	75%	0.75	S	S	*	*			cis	-144.5	170.7	30.9	-82.7	90.3	0	0	0	113.8
14	L	31.1	Very low	31	Very low	151 Å²	151	144.1 Å²	144.1	79%	0.791	75%	0.754	S	S	*	*			trans	-127.5	142.3	155.1	-102.6	162.7	0	0	0	106.2
15	P	39.9	Very low	31.2	Very low	98 Å²	98	144.3 Å²	144.3	64%	0.636	76%	0.761	S	S	*	*				-158	168.2	86.2	41.6	-22.7	0	0	0	117.8
16	W	26.8	Very low	31.5	Very low	233 Å²	233	141.2 Å²	141.2	88%	0.883	76%	0.757	S	S	*	*			trans	63	156.4	151.8	-65.4	8.8	0	0	0	118.4
17	T	27.8	Very low	32	Very low	104 Å²	104	138.8 Å²	138.8	64%	0.638	76%	0.758	S	S	*	*			cis	-169	176.3	-28.8	36.6	0	0	0	0	106.8
18	I	31	Very low	32.5	Very low	149 Å²	149	134.9 Å²	134.9	76%	0.764	75%	0.749	S	S	*	*			trans	81.6	101.5	163.1	-54.8	163	0	0	0	116.9
19	L	29.7	Very low	32.8	Very low	151 Å²	151	136.3 Å²	136.3	79%	0.791	75%	0.751	S	S	*	*				37.7	154.1	112.1	-105	149.5	0	0	0	122.2
20	L	29.1	Very low	34.2	Very low	151 Å²	151	133 Å²	133	79%	0.791	74%	0.743	S	S	*	*			trans	80.3	100.8	-178.5	-53.4	167.9	0	0	0	112.7
21	V	30.8	Very low	36	Very low	138 Å²	138	127.3 Å²	127.3	84%	0.836	73%	0.725	S	S	*	*				65.5	102.4	61.5	-174.6	0	0	0	0	111.9
22	G	27.8	Very low	38.4	Very low	66 Å²	66	123.6 Å²	123.6	68%	0.68	70%	0.697	S	S	*	*			trans	-148	84.7	177.6	0	0	0	0	0	111.7
23	T	33.3	Very low	40.3	Very low	137 Å²	137	121.9 Å²	121.9	84%	0.84	68%	0.683	S	S	*	*			trans	38.2	81.9	159.3	57.6	0	0	0	0	118
24	A	32.8	Very low	43.2	Very low	100 Å²	100	110.9 Å²	110.9	83%	0.826	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-70.2	129.9	138.6	0	0	0	0	0	107.6	A26	A24-A26 PolarHBondContact O-N 2.84Å
25	A	34.5	Very low	45.8	Very low	103 Å²	103	103.9 Å²	103.9	85%	0.851	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-66.7	131.3	-179.5	0	0	0	0	0	110.4
26	A	34.6	Very low	48	Very low	83 Å²	83	100.9 Å²	100.9	69%	0.686	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-87	120.5	-174.3	0	0	0	0	0	111.7	A24 Q28	A24-A26 PolarHBondContact O-N 2.84Å; A26-Q28 HydrophobicContact CB-CG 4.38Å
27	S	37.7	Very low	50.6	Low	112 Å²	112	94.8 Å²	94.8	78%	0.783	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-83	122.7	150.5	-164.7	0	0	0	0	107.6
28	Q	40.7	Very low	52.9	Low	121 Å²	121	91.4 Å²	91.4	57%	0.565	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-87.9	149.1	-160.8	-62.2	-173.3	8	0	0	112.9	A26 Q30	A26-Q28 HydrophobicContact CB-CG 4.38Å; Q28-Q30 HydrophobicContact CB-CG 4.12Å; Q28-Q30 PolarHBondContact O-N 3.3Å; Q28-Q30 VanDerWaalsContact OE1-CD 3.27Å
29	N	51.5	Low	54.3	Low	133 Å²	133	87.8 Å²	87.8	71%	0.711	53%	0.526	S	S	*	.	S	Bend	trans	-79.5	53.6	-179.7	-167	-28.1	0	0	0	111.1	K62	N29-K62 PolarHBondContact O-NZ 3.43Å; N29-K62 WeakPolarHBondContact OD1-CD 3.49Å; N29-K62 PolarHBondContact OD1-NZ 3.28Å
30	Q	55.6	Low	55.6	Low	115 Å²	115	84.7 Å²	84.7	54%	0.537	50%	0.504	S	S	.	.			trans	-105.1	167.7	-173.5	-79.3	168.9	-25.5	0	0	112.3	Q28	Q28-Q30 HydrophobicContact CB-CG 4.12Å; Q28-Q30 PolarHBondContact O-N 3.3Å; Q28-Q30 VanDerWaalsContact OE1-CD 3.27Å
31	E	64.1	Low	56.9	Low	76 Å²	76	83.1 Å²	83.1	36%	0.355	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-89.9	131.4	166.1	-51.9	-164.3	113.3	0	0	107.1	R50 L59 K62	E31-R50 VanDerWaalsContact CD-NH2 3.26Å; E31-R50 IonicContact OE1-CZ 3.75Å; E31-R50 IonicContact OE1-NH1 2.77Å; E31-R50 PolarHBondContact OE1-NH1 2.83Å; E31-R50 IonicContact OE1-NH2 2.83Å; E31-R50 PolarHBondContact OE1-NH2 3.3Å; E31-R50 IonicContact OE2-CZ 2.64Å; E31-R50 IonicContact OE2-NH1 2.73Å; E31-R50 IonicContact OE2-NH2 2.75Å; E31-R50 PolarHBondContact OE2-NH2 3.24Å; E31-L59 HydrophobicContact CB-CD1 3.89Å; E31-L59 HydrophobicContact CB-CD2 4.11Å; E31-L59 HydrophobicContact CB-CG 3.87Å; E31-K62 HydrophobicContact CG-CG 4.17Å
32	R	77.8	Confident	57.4	Low	47 Å²	47	85.3 Å²	85.3	18%	0.177	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.3	-168.4	175.3	174.3	-75.8	129.1	-2.3	110.6	C60 S64 S119 D121	R32-C60 HydrophobicContact CB-CB 4.45Å; R32-C60 PolarHBondContact N-O 3.24Å; R32-C60 WeakPolarHBondContact O-CB 3.43Å; R32-C60 PolarHBondContact O-N 2.85Å; R32-S64 PolarHBondContact NH1-O 2.95Å; R32-S119 PolarHBondContact NE-O 3.47Å; R32-S119 PolarHBondContact NH2-O 3.1Å; R32-D121 WeakPolarHBondContact CA-OD1 3.46Å; R32-D121 WeakPolarHBondContact CG-OD1 3.39Å
33	L	83.4	Confident	58.4	Low	60 Å²	60	89.9 Å²	89.9	31%	0.314	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.4	176	-167	75.4	0	0	0	109.5	I58 L59 D121 L122	L33-I58 WeakPolarHBondContact CA-O 3.43Å; L33-L59 HydrophobicContact CB-CD1 4.43Å; L33-L59 HydrophobicContact CD1-CB 4.42Å; L33-L59 HydrophobicContact CD1-CD1 4.25Å; L33-D121 PolarHBondContact N-OD1 3.27Å; L33-D121 CarbonylContact O-C 3.5Å; L33-D121 VanDerWaalsContact O-CA 3.3Å; L33-D121 WeakPolarHBondContact O-CA 3.34Å; L33-L122 HydrophobicContact CD2-CD1 4.41Å; L33-L122 HydrophobicContact CD2-CD2 3.93Å; L33-L122 HydrophobicContact CD2-CG 4.28Å; L33-L122 HydrophobicContact CG-CD2 3.92Å; L33-L122 PolarHBondContact O-N 2.9Å
34	C	87.1	Confident	58.6	Low	0 Å²	0	91.5 Å²	91.5	0%	0	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	156.8	175.3	-58.9	0	0	0	0	110.5	T57 I58 C60 C66	C34-T57 WeakPolarHBondContact O-CA 3.42Å; C34-T57 WeakPolarHBondContact O-CB 3.41Å; C34-I58 HydrophobicContact CB-CG2 4.14Å; C34-I58 PolarHBondContact N-O 3.03Å; C34-I58 PolarHBondContact O-N 3.06Å; C34-C60 PolarHBondContact SG-SG 2.87Å; C34-C66 HydrophobicContact CB-CB 3.79Å; C34-C66 WeakPolarHBondContact CB-SG 3.49Å; C34-C66 WeakPolarHBondContact SG-CA 3.43Å; C34-C66 WeakPolarHBondContact SG-CB 3.46Å; C34-C66 CovalentContact SG-SG 2.03Å; C34-C66 PolarHBondContact SG-SG 3.49Å
35	A	85.8	Confident	59.3	Low	5 Å²	5	90.7 Å²	90.7	4%	0.041	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	145.2	163.1	0	0	0	0	0	109.5	Q82 G83 N124 V125	A35-Q82 HydrophobicContact CB-CB 4.31Å; A35-Q82 HydrophobicContact CB-CG 4.34Å; A35-Q82 CarbonylContact O-C 3.51Å; A35-G83 PolarHBondContact O-N 3.4Å; A35-N124 WeakPolarHBondContact CB-OD1 3.45Å; A35-N124 PolarHBondContact N-OD1 3.48Å; A35-N124 PolarHBondContact O-ND2 2.85Å; A35-V125 HydrophobicContact CB-CG2 3.75Å
36	F	85.4	Confident	59.6	Low	34 Å²	34	91.9 Å²	91.9	15%	0.149	50%	0.498	C	S	.	.			trans	-134.2	125.1	179.7	-174.1	-108.2	0	0	0	110.9	D38 I51 G56 I58 Q82	F36-D38 HydrophobicContact CE1-CB 4.14Å; F36-D38 HydrophobicContact CE2-CB 4.27Å; F36-D38 HydrophobicContact CZ-CB 3.67Å; F36-I51 HydrophobicContact CD1-CG2 3.85Å; F36-I51 HydrophobicContact CE1-CD1 4.11Å; F36-I51 HydrophobicContact CE1-CG2 4.15Å; F36-I51 HydrophobicContact CZ-CD1 4.3Å; F36-G56 PolarHBondContact N-O 2.91Å; F36-G56 CarbonylContact O-C 3.56Å; F36-I58 HydrophobicContact CB-CB 3.78Å; F36-I58 HydrophobicContact CB-CG2 3.74Å; F36-I58 HydrophobicContact CD2-CB 4.12Å; F36-I58 HydrophobicContact CD2-CD1 3.99Å; F36-I58 HydrophobicContact CD2-CG2 3.97Å; F36-I58 HydrophobicContact CE2-CD1 4.16Å; F36-I58 HydrophobicContact CG-CB 4.03Å; F36-I58 HydrophobicContact CG-CG2 4.17Å; F36-Q82 WeakPolarHBondContact CA-O 3.23Å; F36-Q82 WeakPolarHBondContact CD2-O 3.39Å
37	K	81.3	Confident	60	Low	105 Å²	105	90.8 Å²	90.8	46%	0.457	50%	0.495	S	S	.	.	B	Isolated β-bridge	trans	-150.8	114.5	170.8	-171	-171.5	177.7	-161.7	0	108.4	L79 K81 Q82	K37-L79 HydrophobicContact CB-CD2 4.31Å; K37-L79 HydrophobicContact CD-CD2 3.52Å; K37-L79 HydrophobicContact CD-CG 3.94Å; K37-L79 PolarHBondContact NZ-O 3.12Å; K37-K81 WeakPolarHBondContact O-CA 3.26Å; K37-K81 WeakPolarHBondContact O-CG 3.43Å; K37-Q82 PolarHBondContact N-O 2.81Å; K37-Q82 PolarHBondContact O-N 3.06Å
38	D	75.9	Confident	60.7	Low	33 Å²	33	95.3 Å²	95.3	18%	0.176	50%	0.503	C	S	.	.			trans	-123.8	117.1	177	-168.3	-21.7	0	0	0	109.5	F36 Y40 Q41 K81 S959	F36-D38 HydrophobicContact CE1-CB 4.14Å; F36-D38 HydrophobicContact CE2-CB 4.27Å; F36-D38 HydrophobicContact CZ-CB 3.67Å; D38-Y40 VanDerWaalsContact C-N 3.29Å; D38-Y40 PolarHBondContact O-N 3.35Å; D38-Y40 PolarHBondContact OD1-N 3.24Å; D38-Q41 HydrophobicContact CB-CB 4.44Å; D38-K81 IonicContact OD1-NZ 3.56Å; D38-K81 PolarHBondContact OD1-NZ 3.24Å; D38-K81 WeakPolarHBondContact OD2-CE 3.22Å; D38-K81 IonicContact OD2-NZ 2.78Å; D38-K81 PolarHBondContact OD2-NZ 3.12Å; D38-S959 PolarHBondContact OD2-OG 3.33Å
39	P	61.2	Low	61.2	Low	74 Å²	74	94.6 Å²	94.6	48%	0.481	51%	0.512	S	S	.	.	S	Bend	trans	-78.1	-4.9	178.2	23.3	-21.8	0	0	0	114.9
40	Y	57	Low	61.5	Low	85 Å²	85	92.2 Å²	92.2	33%	0.333	49%	0.493	S	S	.	.	S	Bend	trans	-112.6	-3.3	-171.7	-80.4	-88.1	0	0	0	115.9	D38 Q42 Q955 I956	D38-Y40 VanDerWaalsContact C-N 3.29Å; D38-Y40 PolarHBondContact O-N 3.35Å; D38-Y40 PolarHBondContact OD1-N 3.24Å; Y40-Q42 PolarHBondContact O-N 3.09Å; Y40-Q955 WeakPolarHBondContact OH-CG 3.48Å; Y40-Q955 PolarHBondContact OH-NE2 3.11Å; Y40-Q955 PolarHBondContact OH-OE1 2.78Å; Y40-I956 HydrophobicContact CD2-CB 4.48Å; Y40-I956 HydrophobicContact CD2-CG2 3.76Å; Y40-I956 HydrophobicContact CE2-CB 3.62Å; Y40-I956 HydrophobicContact CE2-CD1 3.97Å; Y40-I956 HydrophobicContact CE2-CG1 4.39Å; Y40-I956 HydrophobicContact CE2-CG2 3.31Å
41	Q	56.3	Low	61.8	Low	118 Å²	118	89.3 Å²	89.3	55%	0.551	48%	0.481	S	S	*	.			trans	-85.1	80.8	-174.7	-159.9	168.3	20.3	0	0	112.6	D38	D38-Q41 HydrophobicContact CB-CB 4.44Å
42	Q	42.4	Very low	61.7	Low	184 Å²	184	88 Å²	88	86%	0.86	48%	0.479	S	S	*	.			trans	-106.4	117.5	165	-104.6	-177.1	-19	0	0	110.7	Y40	Y40-Q42 PolarHBondContact O-N 3.09Å
43	D	48.3	Very low	60.7	Low	163 Å²	163	93 Å²	93	87%	0.872	51%	0.505	S	S	*	.	S	Bend	trans	31.6	86.1	168.6	-70.8	-26.4	0	0	0	118.9
44	L	37.9	Very low	59.4	Low	170 Å²	170	99 Å²	99	89%	0.89	53%	0.531	S	S	*	.			trans	-149.3	108	148.2	-106.1	153.5	0	0	0	108.8	I46	L44-I46 PolarHBondContact O-N 3.13Å
45	G	46.4	Very low	58.1	Low	83 Å²	83	104.9 Å²	104.9	86%	0.856	56%	0.563	S	S	*	*			trans	-77.6	114.8	-158.8	0	0	0	0	0	115.8
46	I	40.4	Very low	57.5	Low	129 Å²	129	106.3 Å²	106.3	66%	0.662	58%	0.577	S	S	*	*			trans	-134.1	114	159.8	-57.7	-179.6	0	0	0	109.1	L44	L44-I46 PolarHBondContact O-N 3.13Å
47	G	43.4	Very low	57.4	Low	60 Å²	60	105.7 Å²	105.7	62%	0.619	58%	0.576	S	S	*	*			trans	78.6	44.3	154.5	0	0	0	0	0	119.2	S49	G47-S49 PolarHBondContact O-N 3.46Å
48	E	51.9	Low	57.5	Low	206 Å²	206	101.5 Å²	101.5	96%	0.963	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	101.7	166.2	-71.8	-173	114.8	0	0	111.8
49	S	51.8	Low	57.9	Low	107 Å²	107	102.6 Å²	102.6	75%	0.748	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-178.5	-7.4	169.3	49.3	0	0	0	0	115.2	G47	G47-S49 PolarHBondContact O-N 3.46Å
50	R	58.4	Low	58.8	Low	82 Å²	82	99.1 Å²	99.1	31%	0.309	54%	0.542	S	S	.	.	S	Bend	trans	-130.2	0.3	-170.4	-68.5	-170.6	165.8	-135.8	-14.8	116.9	E31 L59	E31-R50 VanDerWaalsContact CD-NH2 3.26Å; E31-R50 IonicContact OE1-CZ 3.75Å; E31-R50 IonicContact OE1-NH1 2.77Å; E31-R50 PolarHBondContact OE1-NH1 2.83Å; E31-R50 IonicContact OE1-NH2 2.83Å; E31-R50 PolarHBondContact OE1-NH2 3.3Å; E31-R50 IonicContact OE2-CZ 2.64Å; E31-R50 IonicContact OE2-NH1 2.73Å; E31-R50 IonicContact OE2-NH2 2.75Å; E31-R50 PolarHBondContact OE2-NH2 3.24Å; R50-L59 PolarHBondContact O-N 3.38Å
51	I	61.8	Low	59.8	Low	55 Å²	55	96.9 Å²	96.9	28%	0.282	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.6	175.2	-57.2	173.7	0	0	0	107.8	F36 H53 I58	F36-I51 HydrophobicContact CD1-CG2 3.85Å; F36-I51 HydrophobicContact CE1-CD1 4.11Å; F36-I51 HydrophobicContact CE1-CG2 4.15Å; F36-I51 HydrophobicContact CZ-CD1 4.3Å; I51-H53 PolarHBondContact O-N 3.33Å; I51-I58 HydrophobicContact CD1-CD1 4.35Å; I51-I58 HydrophobicContact CG1-CD1 3.97Å; I51-I58 HydrophobicContact CG1-CG1 4.01Å
52	S	60.9	Low	60.6	Low	47 Å²	47	97 Å²	97	33%	0.329	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	87.9	173.7	-172.4	0	0	0	0	108.8	E54 N55 G56 T57	S52-E54 PolarHBondContact O-N 2.73Å; S52-N55 CarbonylContact O-C 3.6Å; S52-N55 PolarHBondContact O-N 2.74Å; S52-N55 PolarHBondContact OG-ND2 3.02Å; S52-G56 PolarHBondContact O-N 3.37Å; S52-T57 PolarHBondContact N-O 2.91Å
53	H	58.2	Low	61.9	Low	152 Å²	152	91.9 Å²	91.9	70%	0.704	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.1	-177	-74.5	-85.3	0	0	0	113.4	I51 N55	I51-H53 PolarHBondContact O-N 3.33Å; H53-N55 VanDerWaalsContact C-N 3.31Å; H53-N55 PolarHBondContact O-N 3.29Å
54	E	55.5	Low	63.3	Low	188 Å²	188	84.5 Å²	84.5	88%	0.879	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-22.6	175.2	-62.6	-174	138.3	0	0	113.5	S52	S52-E54 PolarHBondContact O-N 2.73Å
55	N	59.8	Low	65.5	Low	123 Å²	123	77.3 Å²	77.3	66%	0.658	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-0.1	-176.1	-69.3	-57.5	0	0	0	114.5	S52 H53 T57	S52-N55 CarbonylContact O-C 3.6Å; S52-N55 PolarHBondContact O-N 2.74Å; S52-N55 PolarHBondContact OG-ND2 3.02Å; H53-N55 VanDerWaalsContact C-N 3.31Å; H53-N55 PolarHBondContact O-N 3.29Å; N55-T57 PolarHBondContact O-N 2.66Å
56	G	73.8	Confident	67.4	Low	34 Å²	34	73.4 Å²	73.4	35%	0.351	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	39.3	179.5	0	0	0	0	0	114.2	F36 S52	F36-G56 PolarHBondContact N-O 2.91Å; F36-G56 CarbonylContact O-C 3.56Å; S52-G56 PolarHBondContact O-N 3.37Å
57	T	81.9	Confident	69.7	Low	21 Å²	21	68 Å²	68	13%	0.129	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.2	-175.4	47.6	0	0	0	0	113.1	C34 S52 N55 L122	C34-T57 WeakPolarHBondContact O-CA 3.42Å; C34-T57 WeakPolarHBondContact O-CB 3.41Å; S52-T57 PolarHBondContact N-O 2.91Å; N55-T57 PolarHBondContact O-N 2.66Å; T57-L122 HydrophobicContact CG2-CD2 3.57Å
58	I	84.4	Confident	71.9	Confident	17 Å²	17	65.1 Å²	65.1	9%	0.087	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.7	-179.3	-171.9	166.7	0	0	0	111	L33 C34 F36 I51	L33-I58 WeakPolarHBondContact CA-O 3.43Å; C34-I58 HydrophobicContact CB-CG2 4.14Å; C34-I58 PolarHBondContact N-O 3.03Å; C34-I58 PolarHBondContact O-N 3.06Å; F36-I58 HydrophobicContact CB-CB 3.78Å; F36-I58 HydrophobicContact CB-CG2 3.74Å; F36-I58 HydrophobicContact CD2-CB 4.12Å; F36-I58 HydrophobicContact CD2-CD1 3.99Å; F36-I58 HydrophobicContact CD2-CG2 3.97Å; F36-I58 HydrophobicContact CE2-CD1 4.16Å; F36-I58 HydrophobicContact CG-CB 4.03Å; F36-I58 HydrophobicContact CG-CG2 4.17Å; I51-I58 HydrophobicContact CD1-CD1 4.35Å; I51-I58 HydrophobicContact CG1-CD1 3.97Å; I51-I58 HydrophobicContact CG1-CG1 4.01Å
59	L	83.2	Confident	73.5	Confident	57 Å²	57	57 Å²	57	30%	0.298	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	99	175.8	-171	69.9	0	0	0	111.2	E31 L33 R50	E31-L59 HydrophobicContact CB-CD1 3.89Å; E31-L59 HydrophobicContact CB-CD2 4.11Å; E31-L59 HydrophobicContact CB-CG 3.87Å; L33-L59 HydrophobicContact CB-CD1 4.43Å; L33-L59 HydrophobicContact CD1-CB 4.42Å; L33-L59 HydrophobicContact CD1-CD1 4.25Å; R50-L59 PolarHBondContact O-N 3.38Å
60	C	80.2	Confident	75.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	149.6	-174	-58.3	0	0	0	0	114.2	R32 C34 C84	R32-C60 HydrophobicContact CB-CB 4.45Å; R32-C60 PolarHBondContact N-O 3.24Å; R32-C60 WeakPolarHBondContact O-CB 3.43Å; R32-C60 PolarHBondContact O-N 2.85Å; C34-C60 PolarHBondContact SG-SG 2.87Å; C60-C84 WeakPolarHBondContact CA-SG 3.26Å; C60-C84 HydrophobicContact CB-CB 3.78Å; C60-C84 WeakPolarHBondContact CB-SG 3.43Å; C60-C84 VanDerWaalsContact SG-CA 3.55Å; C60-C84 WeakPolarHBondContact SG-CB 3.37Å; C60-C84 CovalentContact SG-SG 2.03Å; C60-C84 PolarHBondContact SG-SG 3.18Å
61	S	78.8	Confident	76.4	Confident	37 Å²	37	51.5 Å²	51.5	26%	0.259	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-59.5	147.6	172	49.9	0	0	0	0	112.6	G63 S64	S61-G63 PolarHBondContact O-N 2.77Å; S61-S64 VanDerWaalsContact O-CB 3.29Å; S61-S64 WeakPolarHBondContact O-CB 3.48Å; S61-S64 PolarHBondContact O-N 3.33Å; S61-S64 VanDerWaalsContact O-N 3.09Å; S61-S64 PolarHBondContact O-OG 2.89Å; S61-S64 PolarHBondContact OG-OG 2.69Å
62	K	72	Confident	77.2	Confident	120 Å²	120	52.2 Å²	52.2	52%	0.522	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	126.8	-175.4	-60.2	-159.2	176.8	-161.2	0	111.8	N29 E31	N29-K62 PolarHBondContact O-NZ 3.43Å; N29-K62 WeakPolarHBondContact OD1-CD 3.49Å; N29-K62 PolarHBondContact OD1-NZ 3.28Å; E31-K62 HydrophobicContact CG-CG 4.17Å
63	G	70.2	Confident	77.9	Confident	77 Å²	77	52 Å²	52	79%	0.794	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	-13.2	-177.5	0	0	0	0	0	114.9	S61	S61-G63 PolarHBondContact O-N 2.77Å
64	S	77.2	Confident	78.3	Confident	9 Å²	9	55.4 Å²	55.4	6%	0.063	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-74.6	140.4	175.3	-60.7	0	0	0	0	111.8	R32 S61 W85	R32-S64 PolarHBondContact NH1-O 2.95Å; S61-S64 VanDerWaalsContact O-CB 3.29Å; S61-S64 WeakPolarHBondContact O-CB 3.48Å; S61-S64 PolarHBondContact O-N 3.33Å; S61-S64 VanDerWaalsContact O-N 3.09Å; S61-S64 PolarHBondContact O-OG 2.89Å; S61-S64 PolarHBondContact OG-OG 2.69Å; S64-W85 VanDerWaalsContact CA-O 3.3Å; S64-W85 WeakPolarHBondContact CA-O 3.01Å; S64-W85 VanDerWaalsContact CB-O 3.3Å; S64-W85 WeakPolarHBondContact CB-O 3.4Å
65	T	85.1	Confident	78.8	Confident	19 Å²	19	49 Å²	49	12%	0.117	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	162.9	172.6	43.6	0	0	0	0	110.9	W85 C118	T65-W85 PolarHBondContact N-O 3.39Å; T65-W85 VanDerWaalsContact N-O 3.12Å; T65-W85 PolarHBondContact O-N 2.85Å; T65-C118 VanDerWaalsContact CB-O 3.29Å; T65-C118 WeakPolarHBondContact CB-O 3.26Å
66	C	87.3	Confident	79.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	150.4	166.1	-54.2	0	0	0	0	109.5	C34 C117 C118 N124	C34-C66 HydrophobicContact CB-CB 3.79Å; C34-C66 WeakPolarHBondContact CB-SG 3.49Å; C34-C66 WeakPolarHBondContact SG-CA 3.43Å; C34-C66 WeakPolarHBondContact SG-CB 3.46Å; C34-C66 CovalentContact SG-SG 2.03Å; C34-C66 PolarHBondContact SG-SG 3.49Å; C66-C117 CarbonylContact O-C 3.6Å; C66-C117 WeakPolarHBondContact O-CA 3.5Å; C66-C117 WeakPolarHBondContact O-CB 3.49Å; C66-C118 PolarHBondContact N-O 3.29Å; C66-C118 PolarHBondContact O-N 3.44Å; C66-N124 HydrophobicContact CB-CB 3.76Å
67	Y	88.9	Confident	79.8	Confident	15 Å²	15	50.9 Å²	50.9	6%	0.059	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	160.6	166.8	79.8	-82.1	0	0	0	112	K81 Q82 G83 W85 F115 C116 N124	Y67-K81 HydrophobicContact CE2-CG 4.41Å; Y67-Q82 WeakPolarHBondContact O-CA 3.2Å; Y67-G83 VanDerWaalsContact CD1-C 3.5Å; Y67-G83 WeakPolarHBondContact CD1-O 3.34Å; Y67-G83 VanDerWaalsContact CE1-C 3.48Å; Y67-G83 PolarHBondContact N-O 3.01Å; Y67-G83 PolarHBondContact O-N 2.86Å; Y67-W85 HydrophobicContact CD1-CB 3.87Å; Y67-W85 AromaticContact CD1-CE3 3.83Å; Y67-W85 HydrophobicContact CD1-CE3 3.83Å; Y67-W85 HydrophobicContact CD2-CE3 4.27Å; Y67-W85 HydrophobicContact CE1-CE3 4.16Å; Y67-W85 HydrophobicContact CG-CB 4.37Å; Y67-W85 AromaticContact CG-CE3 3.88Å; Y67-W85 HydrophobicContact CG-CE3 3.88Å; Y67-F115 HydrophobicContact CD2-CD2 4.38Å; Y67-F115 AromaticContact CD2-CE2 3.74Å; Y67-F115 HydrophobicContact CD2-CE2 3.74Å; Y67-F115 HydrophobicContact CG-CE2 4.17Å; Y67-C116 WeakPolarHBondContact CA-O 3.41Å; Y67-N124 WeakPolarHBondContact O-CB 3.04Å; Y67-N124 PolarHBondContact O-ND2 3.4Å
68	G	88	Confident	79.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	151.3	166.3	0	0	0	0	0	112	W70 K81 F115 C116	G68-W70 WeakPolarHBondContact O-CZ3 3.42Å; G68-K81 CarbonylContact C-O 3.5Å; G68-K81 WeakPolarHBondContact CA-O 3.43Å; G68-F115 WeakPolarHBondContact O-CA 3.36Å; G68-C116 PolarHBondContact N-O 3.46Å; G68-C116 VanDerWaalsContact N-O 3.08Å; G68-C116 PolarHBondContact O-N 3.05Å
69	L	85.8	Confident	79.7	Confident	37 Å²	37	55.2 Å²	55.2	19%	0.194	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.1	176.8	-179	65.1	0	0	0	109.2	V80 K81 Y113 R114 F115	L69-V80 HydrophobicContact CD2-CB 4.41Å; L69-V80 HydrophobicContact CD2-CG1 4.29Å; L69-V80 HydrophobicContact CG-CB 4.24Å; L69-V80 WeakPolarHBondContact O-CA 3.25Å; L69-V80 WeakPolarHBondContact O-CB 3.4Å; L69-V80 PolarHBondContact O-N 2.99Å; L69-K81 HydrophobicContact CB-CB 4.43Å; L69-K81 PolarHBondContact N-O 3.45Å; L69-K81 PolarHBondContact O-N 3.44Å; L69-Y113 HydrophobicContact CD1-CD1 4.41Å; L69-R114 WeakPolarHBondContact CA-O 3.32Å; L69-F115 HydrophobicContact CD1-CB 4.22Å
70	W	85.9	Confident	79.7	Confident	10 Å²	10	53.7 Å²	53.7	4%	0.038	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.8	177.4	-61.3	-107.3	0	0	0	111	G68 I77 N78 L79 Y113 R114 C116 N124 F127	G68-W70 WeakPolarHBondContact O-CZ3 3.42Å; W70-I77 HydrophobicContact CB-CG2 4.01Å; W70-I77 HydrophobicContact CG-CG2 4.24Å; W70-N78 CarbonylContact C-O 3.53Å; W70-N78 VanDerWaalsContact CA-O 3.25Å; W70-N78 WeakPolarHBondContact CA-O 3.44Å; W70-L79 VanDerWaalsContact CD1-CA 3.44Å; W70-L79 HydrophobicContact CD2-CD1 4.31Å; W70-L79 HydrophobicContact CG-CD1 4.42Å; W70-L79 HydrophobicContact CZ2-CD1 4.36Å; W70-Y113 CarbonylContact O-C 3.54Å; W70-Y113 VanDerWaalsContact O-CA 3.3Å; W70-Y113 WeakPolarHBondContact O-CA 3.06Å; W70-R114 HydrophobicContact CB-CB 4.34Å; W70-R114 PolarHBondContact N-O 3.48Å; W70-R114 PolarHBondContact O-N 3.41Å; W70-C116 VanDerWaalsContact CZ3-SG 3.56Å; W70-N124 VanDerWaalsContact CH2-O 3.29Å; W70-N124 WeakPolarHBondContact CH2-O 3.32Å; W70-N124 WeakPolarHBondContact CZ2-O 3.38Å; W70-F127 HydrophobicContact CB-CD1 4.49Å; W70-F127 HydrophobicContact CB-CE1 3.76Å; W70-F127 HydrophobicContact CB-CZ 4.36Å; W70-F127 AromaticContact CD1-CE1 3.79Å; W70-F127 AromaticContact CD2-CD1 3.35Å; W70-F127 HydrophobicContact CD2-CD1 3.35Å; W70-F127 AromaticContact CD2-CE1 3.53Å; W70-F127 HydrophobicContact CD2-CE1 3.53Å; W70-F127 HydrophobicContact CD2-CG 4.39Å; W70-F127 AromaticContact CE2-CD1 3.53Å; W70-F127 AromaticContact CE2-CE1 3.97Å; W70-F127 HydrophobicContact CE3-CB 4.38Å; W70-F127 AromaticContact CE3-CD1 3.5Å; W70-F127 HydrophobicContact CE3-CD1 3.5Å; W70-F127 VanDerWaalsContact CE3-CD1 3.5Å; W70-F127 AromaticContact CE3-CE1 3.96Å; W70-F127 HydrophobicContact CE3-CE1 3.96Å; W70-F127 HydrophobicContact CE3-CG 4.13Å; W70-F127 AromaticContact CG-CD1 3.82Å; W70-F127 HydrophobicContact CG-CD1 3.82Å; W70-F127 AromaticContact CG-CE1 3.45Å; W70-F127 HydrophobicContact CG-CE1 3.45Å; W70-F127 VanDerWaalsContact CG-CE1 3.45Å; W70-F127 HydrophobicContact CG-CZ 4.47Å; W70-F127 HydrophobicContact CH2-CB 3.95Å; W70-F127 AromaticContact CH2-CD1 3.99Å; W70-F127 HydrophobicContact CH2-CD1 3.99Å; W70-F127 HydrophobicContact CH2-CG 4.43Å; W70-F127 HydrophobicContact CZ2-CB 4.48Å; W70-F127 AromaticContact CZ2-CD1 3.86Å; W70-F127 HydrophobicContact CZ2-CD1 3.86Å; W70-F127 HydrophobicContact CZ3-CB 3.9Å; W70-F127 AromaticContact CZ3-CD1 3.82Å; W70-F127 HydrophobicContact CZ3-CD1 3.82Å; W70-F127 HydrophobicContact CZ3-CG 4.15Å
71	E	84.9	Confident	80	Confident	63 Å²	63	53.7 Å²	53.7	29%	0.294	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.6	173.9	-174.7	-173.5	-128.8	0	0	109.7	N78 V80 Y113	E71-N78 PolarHBondContact N-O 3.47Å; E71-N78 PolarHBondContact O-N 3.19Å; E71-V80 HydrophobicContact CB-CG2 3.8Å; E71-Y113 HydrophobicContact CB-CD1 3.95Å; E71-Y113 HydrophobicContact CB-CE1 3.77Å; E71-Y113 HydrophobicContact CG-CD1 4.18Å; E71-Y113 HydrophobicContact CG-CE1 3.77Å; E71-Y113 PolarHBondContact OE1-OH 2.6Å
72	K	78.8	Confident	80.5	Confident	70 Å²	70	52.5 Å²	52.5	30%	0.304	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	99.2	176	-162.8	167.1	-164.8	164.6	0	109.7	D76 I77 T112 E129	K72-D76 CarbonylContact C-O 3.57Å; K72-D76 WeakPolarHBondContact CA-O 3.15Å; K72-I77 HydrophobicContact CD-CG1 4.4Å; K72-I77 HydrophobicContact CG-CG1 4.12Å; K72-T112 WeakPolarHBondContact CB-O 3.39Å; K72-T112 PolarHBondContact N-O 3.33Å; K72-E129 IonicContact NZ-OE1 3.73Å; K72-E129 IonicContact NZ-OE2 3.02Å; K72-E129 PolarHBondContact NZ-OE2 2.88Å
73	S	76.1	Confident	81.2	Confident	42 Å²	42	46.9 Å²	46.9	29%	0.294	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	115.2	-174.8	39.1	0	0	0	0	111.3	G75 D76 N78	S73-G75 PolarHBondContact O-N 2.84Å; S73-D76 PolarHBondContact N-O 3.1Å; S73-D76 PolarHBondContact O-N 2.82Å; S73-N78 PolarHBondContact OG-ND2 3.18Å
74	K	67.2	Low	82	Confident	223 Å²	223	43.4 Å²	43.4	97%	0.97	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	7.3	179.8	-60.8	-176.8	179.6	177.2	0	117.1
75	G	66.4	Low	82.2	Confident	53 Å²	53	48 Å²	48	55%	0.546	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	132.3	-37.1	177.1	0	0	0	0	0	111.4	S73	S73-G75 PolarHBondContact O-N 2.84Å
76	D	74.1	Confident	81.4	Confident	119 Å²	119	50 Å²	50	64%	0.636	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	155.6	177.3	-59.7	-49.3	0	0	0	111.9	K72 S73	K72-D76 CarbonylContact C-O 3.57Å; K72-D76 WeakPolarHBondContact CA-O 3.15Å; S73-D76 PolarHBondContact N-O 3.1Å; S73-D76 PolarHBondContact O-N 2.82Å
77	I	79.9	Confident	80.4	Confident	79 Å²	79	55.1 Å²	55.1	41%	0.405	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	108.9	-176.6	-66	171.9	0	0	0	108	W70 K72 F127	W70-I77 HydrophobicContact CB-CG2 4.01Å; W70-I77 HydrophobicContact CG-CG2 4.24Å; K72-I77 HydrophobicContact CD-CG1 4.4Å; K72-I77 HydrophobicContact CG-CG1 4.12Å; I77-F127 HydrophobicContact CD1-CZ 4.14Å; I77-F127 HydrophobicContact CG2-CE1 3.53Å; I77-F127 HydrophobicContact CG2-CZ 3.72Å
78	N	81.4	Confident	78.5	Confident	83 Å²	83	62.8 Å²	62.8	44%	0.444	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.6	-176.7	-73.1	-63.6	0	0	0	110.7	W70 E71 S73 V80	W70-N78 CarbonylContact C-O 3.53Å; W70-N78 VanDerWaalsContact CA-O 3.25Å; W70-N78 WeakPolarHBondContact CA-O 3.44Å; E71-N78 PolarHBondContact N-O 3.47Å; E71-N78 PolarHBondContact O-N 3.19Å; S73-N78 PolarHBondContact OG-ND2 3.18Å; N78-V80 PolarHBondContact O-N 3.34Å
79	L	82.4	Confident	76.2	Confident	45 Å²	45	65.6 Å²	65.6	24%	0.236	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	113.9	173.7	169.4	61.6	0	0	0	110.4	K37 W70 K81 Q82	K37-L79 HydrophobicContact CB-CD2 4.31Å; K37-L79 HydrophobicContact CD-CD2 3.52Å; K37-L79 HydrophobicContact CD-CG 3.94Å; K37-L79 PolarHBondContact NZ-O 3.12Å; W70-L79 VanDerWaalsContact CD1-CA 3.44Å; W70-L79 HydrophobicContact CD2-CD1 4.31Å; W70-L79 HydrophobicContact CG-CD1 4.42Å; W70-L79 HydrophobicContact CZ2-CD1 4.36Å; L79-K81 WeakPolarHBondContact CD1-O 3.39Å; L79-Q82 HydrophobicContact CD1-CB 4.47Å; L79-Q82 HydrophobicContact CD1-CG 3.7Å; L79-Q82 HydrophobicContact CD2-CG 4.46Å; L79-Q82 VanDerWaalsContact CD2-OE1 3.27Å
80	V	84.1	Confident	74.1	Confident	26 Å²	26	71 Å²	71	16%	0.158	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-55.5	174.9	-174.5	0	0	0	0	109.7	L69 E71 N78 Y113	L69-V80 HydrophobicContact CD2-CB 4.41Å; L69-V80 HydrophobicContact CD2-CG1 4.29Å; L69-V80 HydrophobicContact CG-CB 4.24Å; L69-V80 WeakPolarHBondContact O-CA 3.25Å; L69-V80 WeakPolarHBondContact O-CB 3.4Å; L69-V80 PolarHBondContact O-N 2.99Å; E71-V80 HydrophobicContact CB-CG2 3.8Å; N78-V80 PolarHBondContact O-N 3.34Å; V80-Y113 HydrophobicContact CG2-CE1 4.47Å
81	K	85.7	Confident	72.4	Confident	1 Å²	1	76 Å²	76	0%	0.004	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	150.8	-174.9	-159.3	146.2	-167.2	148	0	114.4	K37 D38 Y67 G68 L69 L79 E958 S959	K37-K81 WeakPolarHBondContact O-CA 3.26Å; K37-K81 WeakPolarHBondContact O-CG 3.43Å; D38-K81 IonicContact OD1-NZ 3.56Å; D38-K81 PolarHBondContact OD1-NZ 3.24Å; D38-K81 WeakPolarHBondContact OD2-CE 3.22Å; D38-K81 IonicContact OD2-NZ 2.78Å; D38-K81 PolarHBondContact OD2-NZ 3.12Å; Y67-K81 HydrophobicContact CE2-CG 4.41Å; G68-K81 CarbonylContact C-O 3.5Å; G68-K81 WeakPolarHBondContact CA-O 3.43Å; L69-K81 HydrophobicContact CB-CB 4.43Å; L69-K81 PolarHBondContact N-O 3.45Å; L69-K81 PolarHBondContact O-N 3.44Å; L79-K81 WeakPolarHBondContact CD1-O 3.39Å; K81-E958 VanDerWaalsContact CD-OE1 3.23Å; K81-E958 WeakPolarHBondContact CD-OE1 3.06Å; K81-E958 WeakPolarHBondContact CD-OE2 3.38Å; K81-E958 IonicContact NZ-OE2 2.72Å; K81-E958 PolarHBondContact NZ-OE2 2.98Å; K81-S959 WeakPolarHBondContact CE-OG 3.25Å; K81-S959 PolarHBondContact NZ-OG 3Å
82	Q	89.3	Confident	70.9	Confident	12 Å²	12	81.4 Å²	81.4	6%	0.056	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.5	171.9	-91.1	159.6	-4.3	0	0	109.2	A35 F36 K37 Y67 L79 N124 V125	A35-Q82 HydrophobicContact CB-CB 4.31Å; A35-Q82 HydrophobicContact CB-CG 4.34Å; A35-Q82 CarbonylContact O-C 3.51Å; F36-Q82 WeakPolarHBondContact CA-O 3.23Å; F36-Q82 WeakPolarHBondContact CD2-O 3.39Å; K37-Q82 PolarHBondContact N-O 2.81Å; K37-Q82 PolarHBondContact O-N 3.06Å; Y67-Q82 WeakPolarHBondContact O-CA 3.2Å; L79-Q82 HydrophobicContact CD1-CB 4.47Å; L79-Q82 HydrophobicContact CD1-CG 3.7Å; L79-Q82 HydrophobicContact CD2-CG 4.46Å; L79-Q82 VanDerWaalsContact CD2-OE1 3.27Å; Q82-N124 PolarHBondContact NE2-O 3.15Å; Q82-V125 PolarHBondContact NE2-O 2.91Å
83	G	87.1	Confident	69.9	Low	1 Å²	1	85 Å²	85	1%	0.01	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.9	-157	175.1	0	0	0	0	0	115.1	A35 Y67	A35-G83 PolarHBondContact O-N 3.4Å; Y67-G83 VanDerWaalsContact CD1-C 3.5Å; Y67-G83 WeakPolarHBondContact CD1-O 3.34Å; Y67-G83 VanDerWaalsContact CE1-C 3.48Å; Y67-G83 PolarHBondContact N-O 3.01Å; Y67-G83 PolarHBondContact O-N 2.86Å
84	C	86.3	Confident	69.4	Low	5 Å²	5	84 Å²	84	3%	0.034	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.8	-177.9	-52.7	0	0	0	0	112.1	C60 Q961	C60-C84 WeakPolarHBondContact CA-SG 3.26Å; C60-C84 HydrophobicContact CB-CB 3.78Å; C60-C84 WeakPolarHBondContact CB-SG 3.43Å; C60-C84 VanDerWaalsContact SG-CA 3.55Å; C60-C84 WeakPolarHBondContact SG-CB 3.37Å; C60-C84 CovalentContact SG-SG 2.03Å; C60-C84 PolarHBondContact SG-SG 3.18Å; C84-Q961 PolarHBondContact O-NE2 3Å
85	W	81.4	Confident	69.2	Low	104 Å²	104	79.6 Å²	79.6	39%	0.394	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121	173.9	-165.5	-98.2	0	0	0	111.1	S64 T65 Y67 F115	S64-W85 VanDerWaalsContact CA-O 3.3Å; S64-W85 WeakPolarHBondContact CA-O 3.01Å; S64-W85 VanDerWaalsContact CB-O 3.3Å; S64-W85 WeakPolarHBondContact CB-O 3.4Å; T65-W85 PolarHBondContact N-O 3.39Å; T65-W85 VanDerWaalsContact N-O 3.12Å; T65-W85 PolarHBondContact O-N 2.85Å; Y67-W85 HydrophobicContact CD1-CB 3.87Å; Y67-W85 AromaticContact CD1-CE3 3.83Å; Y67-W85 HydrophobicContact CD1-CE3 3.83Å; Y67-W85 HydrophobicContact CD2-CE3 4.27Å; Y67-W85 HydrophobicContact CE1-CE3 4.16Å; Y67-W85 HydrophobicContact CG-CB 4.37Å; Y67-W85 AromaticContact CG-CE3 3.88Å; Y67-W85 HydrophobicContact CG-CE3 3.88Å; W85-F115 HydrophobicContact CD2-CZ 4.3Å; W85-F115 HydrophobicContact CE3-CE2 4.19Å; W85-F115 HydrophobicContact CE3-CZ 4.12Å; W85-F115 HydrophobicContact CH2-CE2 4.34Å; W85-F115 HydrophobicContact CH2-CZ 4.17Å; W85-F115 HydrophobicContact CZ2-CZ 4.34Å; W85-F115 AromaticContact CZ3-CE2 3.93Å; W85-F115 HydrophobicContact CZ3-CE2 3.93Å; W85-F115 HydrophobicContact CZ3-CZ 4.05Å
86	S	68.7	Low	69.5	Low	63 Å²	63	82.5 Å²	82.5	44%	0.441	43%	0.432	S	S	.	.			trans	-117.9	115.4	-175.7	51.7	0	0	0	0	110.3	Q961	S86-Q961 PolarHBondContact OG-NE2 3.05Å
87	H	66.8	Low	69.6	Low	107 Å²	107	83.7 Å²	83.7	50%	0.495	43%	0.434	S	S	.	.			trans	-86.2	123.7	-158.1	-147.7	-56.5	0	0	0	114.3	G89 D90	H87-G89 PolarHBondContact CE1-O 2.81Å; H87-G89 VanDerWaalsContact CE1-O 3.23Å; H87-G89 PolarHBondContact ND1-O 3.06Å; H87-D90 PolarHBondContact CE1-O 2.71Å
88	I	47.5	Very low	69.6	Low	175 Å²	175	85.8 Å²	85.8	90%	0.897	44%	0.442	S	S	*	.			trans	-143.3	111.7	166	-53.7	179.9	0	0	0	109.3
89	G	41.3	Very low	69.8	Low	60 Å²	60	81.9 Å²	81.9	62%	0.619	42%	0.421	S	S	*	.	S	Bend	trans	109.7	130.3	-179.6	0	0	0	0	0	113.5	H87	H87-G89 PolarHBondContact CE1-O 2.81Å; H87-G89 VanDerWaalsContact CE1-O 3.23Å; H87-G89 PolarHBondContact ND1-O 3.06Å
90	D	41.3	Very low	69.7	Low	151 Å²	151	80.5 Å²	80.5	81%	0.807	41%	0.414	S	S	*	.			trans	27.1	133.3	178.6	-74.8	-17.9	0	0	0	122.1	H87 Q92	H87-D90 PolarHBondContact CE1-O 2.71Å; D90-Q92 PolarHBondContact O-N 3.14Å
91	P	50.5	Low	69.3	Low	114 Å²	114	79.4 Å²	79.4	74%	0.74	41%	0.408	S	S	*	.			trans	-82.9	106	-179	33.8	-33.5	0	0	0	112.6
92	Q	52.1	Low	68.1	Low	177 Å²	177	82.7 Å²	82.7	83%	0.827	43%	0.428	S	S	*	.			trans	-112.5	132.5	142.3	-74.6	-150.9	-26.4	0	0	109.5	D90 C94	D90-Q92 PolarHBondContact O-N 3.14Å; Q92-C94 PolarHBondContact O-N 3.08Å; Q92-C94 VanDerWaalsContact O-N 3.1Å
93	E	58.8	Low	66.7	Low	146 Å²	146	87.3 Å²	87.3	68%	0.682	46%	0.457	S	S	*	.			trans	-76.4	102.2	-158.4	-73.2	-179.3	161.5	0	0	112.9	H95	E93-H95 HydrophobicContact CB-CB 4.43Å; E93-H95 PolarHBondContact O-N 3.38Å; E93-H95 IonicContact OE2-CD2 3.75Å
94	C	66	Low	65.1	Low	19 Å²	19	90.5 Å²	90.5	13%	0.128	48%	0.477	C	S	.	.			trans	-72.5	74.6	167.4	-166.3	0	0	0	0	110.2	Q92 C117	Q92-C94 PolarHBondContact O-N 3.08Å; Q92-C94 VanDerWaalsContact O-N 3.1Å; C94-C117 HydrophobicContact CB-CB 4.47Å; C94-C117 WeakPolarHBondContact CB-SG 3.17Å; C94-C117 WeakPolarHBondContact SG-CB 3.5Å; C94-C117 CovalentContact SG-SG 2.04Å; C94-C117 PolarHBondContact SG-SG 3.42Å
95	H	63.2	Low	63.6	Low	132 Å²	132	93.6 Å²	93.6	61%	0.611	50%	0.496	S	S	*	.			trans	-118.6	11.4	-172.7	-71.3	-5.3	0	0	0	114	E93	E93-H95 HydrophobicContact CB-CB 4.43Å; E93-H95 PolarHBondContact O-N 3.38Å; E93-H95 IonicContact OE2-CD2 3.75Å
96	Y	71.6	Confident	62.2	Low	114 Å²	114	95.4 Å²	95.4	45%	0.447	52%	0.522	S	S	.	.			trans	-78.5	136	172.7	-56.5	-79.1	0	0	0	110.7	E98 V100 T102 C118 S119	Y96-E98 WeakPolarHBondContact CB-O 3.16Å; Y96-V100 HydrophobicContact CD1-CB 4.41Å; Y96-V100 HydrophobicContact CD1-CG2 4.31Å; Y96-V100 HydrophobicContact CG-CB 4.4Å; Y96-V100 HydrophobicContact CG-CG2 4.49Å; Y96-T102 HydrophobicContact CE2-CG2 3.98Å; Y96-C118 WeakPolarHBondContact O-CA 3.19Å; Y96-S119 PolarHBondContact O-N 3.28Å; Y96-S119 PolarHBondContact O-OG 2.78Å
97	E	77.1	Confident	61.4	Low	144 Å²	144	97.5 Å²	97.5	67%	0.673	54%	0.536	S	S	*	.	S	Bend	trans	-72.8	-34.4	173.8	-65.4	-170.1	153.8	0	0	110.9	T120 C123	E97-T120 HydrophobicContact CB-CG2 3.87Å; E97-T120 HydrophobicContact CG-CG2 4.23Å; E97-T120 PolarHBondContact O-OG1 3.39Å; E97-C123 WeakPolarHBondContact O-CB 3.46Å
98	E	80	Confident	60.7	Low	122 Å²	122	96.3 Å²	96.3	57%	0.57	53%	0.533	S	S	*	.	S	Bend	trans	-101.8	159.1	173.7	-60.3	-174	164.6	0	0	112.4	Y96 V100 C118	Y96-E98 WeakPolarHBondContact CB-O 3.16Å; E98-V100 HydrophobicContact CB-CG2 4.39Å; E98-V100 PolarHBondContact O-N 2.62Å; E98-C118 WeakPolarHBondContact O-CB 3.25Å
99	C	83.8	Confident	60.7	Low	2 Å²	2	96.4 Å²	96.4	1%	0.014	53%	0.529	C	S	.	.			trans	-77.6	83	176.5	-152.4	0	0	0	0	111.4	C116 C118 C123 N126 F127 T128	C99-C116 HydrophobicContact CB-CB 4.03Å; C99-C116 WeakPolarHBondContact CB-SG 3.46Å; C99-C116 PolarHBondContact O-SG 3.24Å; C99-C116 VanDerWaalsContact O-SG 3.33Å; C99-C116 WeakPolarHBondContact SG-CB 3.43Å; C99-C116 PolarHBondContact SG-O 3.15Å; C99-C116 VanDerWaalsContact SG-O 3.39Å; C99-C116 CovalentContact SG-SG 2.03Å; C99-C116 PolarHBondContact SG-SG 3.11Å; C99-C118 HydrophobicContact CB-CB 4.29Å; C99-C123 WeakPolarHBondContact CB-O 3.48Å; C99-N126 WeakPolarHBondContact CB-O 3.23Å; C99-F127 HydrophobicContact CB-CB 4.43Å; C99-F127 WeakPolarHBondContact O-CA 3.49Å; C99-F127 VanDerWaalsContact O-CB 3.3Å; C99-F127 WeakPolarHBondContact O-CB 3.32Å; C99-T128 PolarHBondContact O-N 3.05Å
100	V	80.8	Confident	61.4	Low	15 Å²	15	101.1 Å²	101.1	9%	0.091	54%	0.54	C	S	.	.	B	Isolated β-bridge	trans	-90.7	128.5	178.5	-175.5	0	0	0	0	110.7	Y96 E98 T102 C116 N130	Y96-V100 HydrophobicContact CD1-CB 4.41Å; Y96-V100 HydrophobicContact CD1-CG2 4.31Å; Y96-V100 HydrophobicContact CG-CB 4.4Å; Y96-V100 HydrophobicContact CG-CG2 4.49Å; E98-V100 HydrophobicContact CB-CG2 4.39Å; E98-V100 PolarHBondContact O-N 2.62Å; V100-T102 HydrophobicContact CG1-CG2 4.05Å; V100-T102 PolarHBondContact O-N 2.8Å; V100-C116 WeakPolarHBondContact O-CB 3.45Å; V100-N130 HydrophobicContact CG1-CB 3.8Å
101	V	75.2	Confident	62.2	Low	3 Å²	3	95.2 Å²	95.2	2%	0.018	52%	0.516	C	S	.	.			trans	-90.6	103.5	174.6	-176.7	0	0	0	0	109.1	R114 C116 F127 T128	V101-R114 HydrophobicContact CG1-CB 4.49Å; V101-R114 HydrophobicContact CG2-CB 4.17Å; V101-C116 HydrophobicContact CG2-CB 3.84Å; V101-F127 HydrophobicContact CB-CD2 4.41Å; V101-F127 HydrophobicContact CG2-CB 4.12Å; V101-F127 HydrophobicContact CG2-CD2 3.45Å; V101-F127 VanDerWaalsContact CG2-CD2 3.45Å; V101-F127 HydrophobicContact CG2-CE2 4.11Å; V101-F127 HydrophobicContact CG2-CG 4.02Å; V101-T128 PolarHBondContact N-O 3.13Å
102	T	61.9	Low	63.2	Low	70 Å²	70	92.2 Å²	92.2	43%	0.429	50%	0.495	S	S	.	.			trans	-90	-44.9	-171.9	51.1	0	0	0	0	113.6	Y96 V100	Y96-T102 HydrophobicContact CE2-CG2 3.98Å; V100-T102 HydrophobicContact CG1-CG2 4.05Å; V100-T102 PolarHBondContact O-N 2.8Å
103	T	58.4	Low	64.5	Low	110 Å²	110	87.7 Å²	87.7	68%	0.675	47%	0.471	S	S	*	.			trans	-152.9	144.6	173.3	49	0	0	0	0	112
104	T	54.8	Low	65.5	Low	68 Å²	68	82.2 Å²	82.2	42%	0.417	44%	0.444	S	S	.	.			trans	-82.2	131.7	168.4	50.2	0	0	0	0	111.3	Y113	T104-Y113 WeakPolarHBondContact CG2-O 3.38Å
105	P	54.4	Low	66.4	Low	69 Å²	69	85 Å²	85	45%	0.448	45%	0.454	S	S	.	.			trans	-59.2	143.4	179.6	-27.1	35.7	0	0	0	114	S107	P105-S107 PolarHBondContact O-N 2.85Å
106	P	52.6	Low	67.5	Low	143 Å²	143	78.9 Å²	78.9	93%	0.929	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.6	-173.9	-22.7	34.1	0	0	0	116.1
107	S	51.4	Low	68.2	Low	106 Å²	106	74.6 Å²	74.6	74%	0.741	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-5.6	-173.3	47.2	0	0	0	0	114.7	P105	P105-S107 PolarHBondContact O-N 2.85Å
108	I	52.5	Low	68.6	Low	83 Å²	83	67.7 Å²	67.7	43%	0.426	38%	0.38	S	S	.	.	S	Bend	trans	-104.9	111.6	-179.4	-55.6	177.6	0	0	0	109.6	Y113	I108-Y113 HydrophobicContact CG2-CD2 3.9Å; I108-Y113 HydrophobicContact CG2-CE2 4.46Å
109	Q	47.1	Very low	68.6	Low	176 Å²	176	63.5 Å²	63.5	82%	0.822	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-59.8	139.4	-177.6	-65	-177.8	-2.8	0	0	111.9	G111	Q109-G111 VanDerWaalsContact C-N 3.25Å; Q109-G111 PolarHBondContact O-N 2.94Å; Q109-G111 VanDerWaalsContact O-N 3.15Å
110	N	54.9	Low	68.6	Low	159 Å²	159	66 Å²	66	85%	0.85	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	61.6	8.1	176.1	-65.3	-14	0	0	0	118.4	T112	N110-T112 PolarHBondContact O-N 3.31Å
111	G	59.5	Low	68.8	Low	28 Å²	28	69.8 Å²	69.8	29%	0.289	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	58	27.3	160.3	0	0	0	0	0	116.2	Q109 R114	Q109-G111 VanDerWaalsContact C-N 3.25Å; Q109-G111 PolarHBondContact O-N 2.94Å; Q109-G111 VanDerWaalsContact O-N 3.15Å; G111-R114 PolarHBondContact O-NH1 2.71Å
112	T	70.6	Confident	69.2	Low	50 Å²	50	73 Å²	73	31%	0.307	42%	0.416	S	S	.	.			trans	-73.8	-25.5	-178.8	43.4	0	0	0	0	113.4	K72 N110	K72-T112 WeakPolarHBondContact CB-O 3.39Å; K72-T112 PolarHBondContact N-O 3.33Å; N110-T112 PolarHBondContact O-N 3.31Å
113	Y	79.3	Confident	70.3	Confident	83 Å²	83	70.6 Å²	70.6	33%	0.325	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	155.3	-176.3	-62.9	-84	0	0	0	113	L69 W70 E71 V80 T104 I108	L69-Y113 HydrophobicContact CD1-CD1 4.41Å; W70-Y113 CarbonylContact O-C 3.54Å; W70-Y113 VanDerWaalsContact O-CA 3.3Å; W70-Y113 WeakPolarHBondContact O-CA 3.06Å; E71-Y113 HydrophobicContact CB-CD1 3.95Å; E71-Y113 HydrophobicContact CB-CE1 3.77Å; E71-Y113 HydrophobicContact CG-CD1 4.18Å; E71-Y113 HydrophobicContact CG-CE1 3.77Å; E71-Y113 PolarHBondContact OE1-OH 2.6Å; V80-Y113 HydrophobicContact CG2-CE1 4.47Å; T104-Y113 WeakPolarHBondContact CG2-O 3.38Å; I108-Y113 HydrophobicContact CG2-CD2 3.9Å; I108-Y113 HydrophobicContact CG2-CE2 4.46Å
114	R	81.3	Confident	71.7	Confident	31 Å²	31	65.3 Å²	65.3	12%	0.117	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	115.7	178.9	-67.4	-65	177.4	-86.4	3.1	108.3	L69 W70 V101 G111 F127 E129	L69-R114 WeakPolarHBondContact CA-O 3.32Å; W70-R114 HydrophobicContact CB-CB 4.34Å; W70-R114 PolarHBondContact N-O 3.48Å; W70-R114 PolarHBondContact O-N 3.41Å; V101-R114 HydrophobicContact CG1-CB 4.49Å; V101-R114 HydrophobicContact CG2-CB 4.17Å; G111-R114 PolarHBondContact O-NH1 2.71Å; R114-F127 HydrophobicContact CB-CE2 3.96Å; R114-F127 HydrophobicContact CB-CZ 3.94Å; R114-F127 HydrophobicContact CG-CE2 3.88Å; R114-F127 HydrophobicContact CG-CZ 3.91Å; R114-E129 IonicContact CZ-OE1 3.48Å; R114-E129 IonicContact NE-OE1 2.71Å; R114-E129 PolarHBondContact NE-OE1 2.71Å; R114-E129 IonicContact NH2-OE1 3.37Å; R114-E129 PolarHBondContact NH2-OE1 3.35Å
115	F	84.6	Confident	73.1	Confident	78 Å²	78	66.3 Å²	66.3	34%	0.342	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.1	177.2	176.8	-92.5	0	0	0	109.2	Y67 G68 L69 W85 C117	Y67-F115 HydrophobicContact CD2-CD2 4.38Å; Y67-F115 AromaticContact CD2-CE2 3.74Å; Y67-F115 HydrophobicContact CD2-CE2 3.74Å; Y67-F115 HydrophobicContact CG-CE2 4.17Å; G68-F115 WeakPolarHBondContact O-CA 3.36Å; L69-F115 HydrophobicContact CD1-CB 4.22Å; W85-F115 HydrophobicContact CD2-CZ 4.3Å; W85-F115 HydrophobicContact CE3-CE2 4.19Å; W85-F115 HydrophobicContact CE3-CZ 4.12Å; W85-F115 HydrophobicContact CH2-CE2 4.34Å; W85-F115 HydrophobicContact CH2-CZ 4.17Å; W85-F115 HydrophobicContact CZ2-CZ 4.34Å; W85-F115 AromaticContact CZ3-CE2 3.93Å; W85-F115 HydrophobicContact CZ3-CE2 3.93Å; W85-F115 HydrophobicContact CZ3-CZ 4.05Å; F115-C117 HydrophobicContact CE1-CB 4.44Å; F115-C117 HydrophobicContact CZ-CB 4.48Å
116	C	85.3	Confident	74.3	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.02	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	159	168.2	53.2	0	0	0	0	110	Y67 G68 W70 C99 V100 V101 F127	Y67-C116 WeakPolarHBondContact CA-O 3.41Å; G68-C116 PolarHBondContact N-O 3.46Å; G68-C116 VanDerWaalsContact N-O 3.08Å; G68-C116 PolarHBondContact O-N 3.05Å; W70-C116 VanDerWaalsContact CZ3-SG 3.56Å; C99-C116 HydrophobicContact CB-CB 4.03Å; C99-C116 WeakPolarHBondContact CB-SG 3.46Å; C99-C116 PolarHBondContact O-SG 3.24Å; C99-C116 VanDerWaalsContact O-SG 3.33Å; C99-C116 WeakPolarHBondContact SG-CB 3.43Å; C99-C116 PolarHBondContact SG-O 3.15Å; C99-C116 VanDerWaalsContact SG-O 3.39Å; C99-C116 CovalentContact SG-SG 2.03Å; C99-C116 PolarHBondContact SG-SG 3.11Å; V100-C116 WeakPolarHBondContact O-CB 3.45Å; V101-C116 HydrophobicContact CG2-CB 3.84Å; C116-F127 VanDerWaalsContact SG-CB 3.52Å
117	C	86.6	Confident	75.8	Confident	23 Å²	23	62.5 Å²	62.5	16%	0.155	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.9	174	72.1	0	0	0	0	109.4	C66 C94 F115	C66-C117 CarbonylContact O-C 3.6Å; C66-C117 WeakPolarHBondContact O-CA 3.5Å; C66-C117 WeakPolarHBondContact O-CB 3.49Å; C94-C117 HydrophobicContact CB-CB 4.47Å; C94-C117 WeakPolarHBondContact CB-SG 3.17Å; C94-C117 WeakPolarHBondContact SG-CB 3.5Å; C94-C117 CovalentContact SG-SG 2.04Å; C94-C117 PolarHBondContact SG-SG 3.42Å; F115-C117 HydrophobicContact CE1-CB 4.44Å; F115-C117 HydrophobicContact CZ-CB 4.48Å
118	C	85.6	Confident	77.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	166.9	-171.1	55.7	0	0	0	0	112.8	T65 C66 Y96 E98 C99 C123	T65-C118 VanDerWaalsContact CB-O 3.29Å; T65-C118 WeakPolarHBondContact CB-O 3.26Å; C66-C118 PolarHBondContact N-O 3.29Å; C66-C118 PolarHBondContact O-N 3.44Å; Y96-C118 WeakPolarHBondContact O-CA 3.19Å; E98-C118 WeakPolarHBondContact O-CB 3.25Å; C99-C118 HydrophobicContact CB-CB 4.29Å; C118-C123 HydrophobicContact CB-CB 3.85Å; C118-C123 WeakPolarHBondContact CB-SG 3.45Å; C118-C123 WeakPolarHBondContact SG-CB 3.33Å; C118-C123 CovalentContact SG-SG 2.02Å; C118-C123 PolarHBondContact SG-SG 2.88Å
119	S	81.1	Confident	78.1	Confident	33 Å²	33	59 Å²	59	23%	0.231	32%	0.316	C	S	.	.	S	Bend	trans	-122.3	11.9	-161.1	60	0	0	0	0	115.8	R32 Y96	R32-S119 PolarHBondContact NE-O 3.47Å; R32-S119 PolarHBondContact NH2-O 3.1Å; Y96-S119 PolarHBondContact O-N 3.28Å; Y96-S119 PolarHBondContact O-OG 2.78Å
120	T	82.3	Confident	78.9	Confident	56 Å²	56	55.3 Å²	55.3	34%	0.344	30%	0.302	S	S	.	.	S	Bend	trans	-112	165.8	171.4	62.5	0	0	0	0	111.5	E97 C123	E97-T120 HydrophobicContact CB-CG2 3.87Å; E97-T120 HydrophobicContact CG-CG2 4.23Å; E97-T120 PolarHBondContact O-OG1 3.39Å; T120-C123 WeakPolarHBondContact O-CB 3.42Å; T120-C123 PolarHBondContact O-SG 3.02Å; T120-C123 VanDerWaalsContact OG1-CB 3.26Å; T120-C123 WeakPolarHBondContact OG1-CB 3.22Å
121	D	84.6	Confident	79.1	Confident	93 Å²	93	53.4 Å²	53.4	50%	0.497	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	136.8	179.3	-68.8	-47	0	0	0	110.8	R32 L33 C123	R32-D121 WeakPolarHBondContact CA-OD1 3.46Å; R32-D121 WeakPolarHBondContact CG-OD1 3.39Å; L33-D121 PolarHBondContact N-OD1 3.27Å; L33-D121 CarbonylContact O-C 3.5Å; L33-D121 VanDerWaalsContact O-CA 3.3Å; L33-D121 WeakPolarHBondContact O-CA 3.34Å; D121-C123 PolarHBondContact O-N 2.88Å
122	L	83.7	Confident	78.5	Confident	70 Å²	70	57.7 Å²	57.7	37%	0.366	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	13.2	-177.9	-53.6	-179.2	0	0	0	115.3	L33 T57 N124 V125	L33-L122 HydrophobicContact CD2-CD1 4.41Å; L33-L122 HydrophobicContact CD2-CD2 3.93Å; L33-L122 HydrophobicContact CD2-CG 4.28Å; L33-L122 HydrophobicContact CG-CD2 3.92Å; L33-L122 PolarHBondContact O-N 2.9Å; T57-L122 HydrophobicContact CG2-CD2 3.57Å; L122-N124 PolarHBondContact O-N 3.28Å; L122-V125 HydrophobicContact CB-CG2 4.17Å; L122-V125 VanDerWaalsContact O-CG2 3.25Å; L122-V125 WeakPolarHBondContact O-CG2 3.38Å; L122-V125 PolarHBondContact O-N 3.25Å; L122-V125 VanDerWaalsContact O-N 3.13Å
123	C	85.3	Confident	77.3	Confident	20 Å²	20	60.7 Å²	60.7	14%	0.135	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.9	-176.4	68.4	0	0	0	0	114.6	E97 C99 C118 T120 D121	E97-C123 WeakPolarHBondContact O-CB 3.46Å; C99-C123 WeakPolarHBondContact CB-O 3.48Å; C118-C123 HydrophobicContact CB-CB 3.85Å; C118-C123 WeakPolarHBondContact CB-SG 3.45Å; C118-C123 WeakPolarHBondContact SG-CB 3.33Å; C118-C123 CovalentContact SG-SG 2.02Å; C118-C123 PolarHBondContact SG-SG 2.88Å; T120-C123 WeakPolarHBondContact O-CB 3.42Å; T120-C123 PolarHBondContact O-SG 3.02Å; T120-C123 VanDerWaalsContact OG1-CB 3.26Å; T120-C123 WeakPolarHBondContact OG1-CB 3.22Å; D121-C123 PolarHBondContact O-N 2.88Å
124	N	87.6	Confident	75.6	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.1	-179	66.8	-32.9	0	0	0	114.6	A35 C66 Y67 W70 Q82 L122 N126	A35-N124 WeakPolarHBondContact CB-OD1 3.45Å; A35-N124 PolarHBondContact N-OD1 3.48Å; A35-N124 PolarHBondContact O-ND2 2.85Å; C66-N124 HydrophobicContact CB-CB 3.76Å; Y67-N124 WeakPolarHBondContact O-CB 3.04Å; Y67-N124 PolarHBondContact O-ND2 3.4Å; W70-N124 VanDerWaalsContact CH2-O 3.29Å; W70-N124 WeakPolarHBondContact CH2-O 3.32Å; W70-N124 WeakPolarHBondContact CZ2-O 3.38Å; Q82-N124 PolarHBondContact NE2-O 3.15Å; L122-N124 PolarHBondContact O-N 3.28Å; N124-N126 PolarHBondContact O-N 2.95Å
125	V	84.3	Confident	73.4	Confident	88 Å²	88	69 Å²	69	53%	0.533	39%	0.388	S	S	.	.	S	Bend	trans	-56.4	-37.8	-180	167	0	0	0	0	112.4	A35 Q82 L122	A35-V125 HydrophobicContact CB-CG2 3.75Å; Q82-V125 PolarHBondContact NE2-O 2.91Å; L122-V125 HydrophobicContact CB-CG2 4.17Å; L122-V125 VanDerWaalsContact O-CG2 3.25Å; L122-V125 WeakPolarHBondContact O-CG2 3.38Å; L122-V125 PolarHBondContact O-N 3.25Å; L122-V125 VanDerWaalsContact O-N 3.13Å
126	N	81.1	Confident	71.3	Confident	113 Å²	113	71.4 Å²	71.4	60%	0.604	41%	0.41	S	S	*	.	S	Bend	trans	-140.7	173.4	176.4	-166.2	20.8	0	0	0	109.6	C99 N124	C99-N126 WeakPolarHBondContact CB-O 3.23Å; N124-N126 PolarHBondContact O-N 2.95Å
127	F	82.4	Confident	68.8	Low	19 Å²	19	77.6 Å²	77.6	8%	0.083	45%	0.448	C	S	.	.			trans	-133.6	161.1	178.2	70.5	-85.7	0	0	0	113.9	W70 I77 C99 V101 R114 C116 E129	W70-F127 HydrophobicContact CB-CD1 4.49Å; W70-F127 HydrophobicContact CB-CE1 3.76Å; W70-F127 HydrophobicContact CB-CZ 4.36Å; W70-F127 AromaticContact CD1-CE1 3.79Å; W70-F127 AromaticContact CD2-CD1 3.35Å; W70-F127 HydrophobicContact CD2-CD1 3.35Å; W70-F127 AromaticContact CD2-CE1 3.53Å; W70-F127 HydrophobicContact CD2-CE1 3.53Å; W70-F127 HydrophobicContact CD2-CG 4.39Å; W70-F127 AromaticContact CE2-CD1 3.53Å; W70-F127 AromaticContact CE2-CE1 3.97Å; W70-F127 HydrophobicContact CE3-CB 4.38Å; W70-F127 AromaticContact CE3-CD1 3.5Å; W70-F127 HydrophobicContact CE3-CD1 3.5Å; W70-F127 VanDerWaalsContact CE3-CD1 3.5Å; W70-F127 AromaticContact CE3-CE1 3.96Å; W70-F127 HydrophobicContact CE3-CE1 3.96Å; W70-F127 HydrophobicContact CE3-CG 4.13Å; W70-F127 AromaticContact CG-CD1 3.82Å; W70-F127 HydrophobicContact CG-CD1 3.82Å; W70-F127 AromaticContact CG-CE1 3.45Å; W70-F127 HydrophobicContact CG-CE1 3.45Å; W70-F127 VanDerWaalsContact CG-CE1 3.45Å; W70-F127 HydrophobicContact CG-CZ 4.47Å; W70-F127 HydrophobicContact CH2-CB 3.95Å; W70-F127 AromaticContact CH2-CD1 3.99Å; W70-F127 HydrophobicContact CH2-CD1 3.99Å; W70-F127 HydrophobicContact CH2-CG 4.43Å; W70-F127 HydrophobicContact CZ2-CB 4.48Å; W70-F127 AromaticContact CZ2-CD1 3.86Å; W70-F127 HydrophobicContact CZ2-CD1 3.86Å; W70-F127 HydrophobicContact CZ3-CB 3.9Å; W70-F127 AromaticContact CZ3-CD1 3.82Å; W70-F127 HydrophobicContact CZ3-CD1 3.82Å; W70-F127 HydrophobicContact CZ3-CG 4.15Å; I77-F127 HydrophobicContact CD1-CZ 4.14Å; I77-F127 HydrophobicContact CG2-CE1 3.53Å; I77-F127 HydrophobicContact CG2-CZ 3.72Å; C99-F127 HydrophobicContact CB-CB 4.43Å; C99-F127 WeakPolarHBondContact O-CA 3.49Å; C99-F127 VanDerWaalsContact O-CB 3.3Å; C99-F127 WeakPolarHBondContact O-CB 3.32Å; V101-F127 HydrophobicContact CB-CD2 4.41Å; V101-F127 HydrophobicContact CG2-CB 4.12Å; V101-F127 HydrophobicContact CG2-CD2 3.45Å; V101-F127 VanDerWaalsContact CG2-CD2 3.45Å; V101-F127 HydrophobicContact CG2-CE2 4.11Å; V101-F127 HydrophobicContact CG2-CG 4.02Å; R114-F127 HydrophobicContact CB-CE2 3.96Å; R114-F127 HydrophobicContact CB-CZ 3.94Å; R114-F127 HydrophobicContact CG-CE2 3.88Å; R114-F127 HydrophobicContact CG-CZ 3.91Å; C116-F127 VanDerWaalsContact SG-CB 3.52Å; F127-E129 HydrophobicContact CD2-CG 4.17Å; F127-E129 HydrophobicContact CE2-CG 3.66Å
128	T	79.5	Confident	66.7	Low	51 Å²	51	82.3 Å²	82.3	31%	0.313	48%	0.478	S	S	.	.	B	Isolated β-bridge	trans	-116.1	121.4	-179.2	-52.4	0	0	0	0	110.6	C99 V101 N130	C99-T128 PolarHBondContact O-N 3.05Å; V101-T128 PolarHBondContact N-O 3.13Å; T128-N130 WeakPolarHBondContact CG2-OD1 3.34Å; T128-N130 PolarHBondContact O-N 3.41Å
129	E	73.8	Confident	65	Low	64 Å²	64	90.2 Å²	90.2	30%	0.299	52%	0.519	S	S	.	.			trans	-83.9	78.1	174	-68.8	-162	119.6	0	0	111	K72 R114 F127 F131	K72-E129 IonicContact NZ-OE1 3.73Å; K72-E129 IonicContact NZ-OE2 3.02Å; K72-E129 PolarHBondContact NZ-OE2 2.88Å; R114-E129 IonicContact CZ-OE1 3.48Å; R114-E129 IonicContact NE-OE1 2.71Å; R114-E129 PolarHBondContact NE-OE1 2.71Å; R114-E129 IonicContact NH2-OE1 3.37Å; R114-E129 PolarHBondContact NH2-OE1 3.35Å; F127-E129 HydrophobicContact CD2-CG 4.17Å; F127-E129 HydrophobicContact CE2-CG 3.66Å; E129-F131 VanDerWaalsContact C-N 3.33Å; E129-F131 HydrophobicContact CB-CD2 4.08Å; E129-F131 HydrophobicContact CB-CE2 3.76Å; E129-F131 HydrophobicContact CG-CE2 4.12Å; E129-F131 PolarHBondContact O-N 2.92Å; E129-F131 VanDerWaalsContact O-N 3.07Å
130	N	64.5	Low	62.6	Low	99 Å²	99	93.8 Å²	93.8	53%	0.529	54%	0.544	S	S	.	.			trans	-83.5	69.8	176.7	-77.6	-29.5	0	0	0	112.3	V100 T128	V100-N130 HydrophobicContact CG1-CB 3.8Å; T128-N130 WeakPolarHBondContact CG2-OD1 3.34Å; T128-N130 PolarHBondContact O-N 3.41Å
131	F	58.5	Low	60.9	Low	119 Å²	119	95.8 Å²	95.8	52%	0.522	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-74.2	125.8	166.1	-59.9	-67.9	0	0	0	109.8	E129	E129-F131 VanDerWaalsContact C-N 3.33Å; E129-F131 HydrophobicContact CB-CD2 4.08Å; E129-F131 HydrophobicContact CB-CE2 3.76Å; E129-F131 HydrophobicContact CG-CE2 4.12Å; E129-F131 PolarHBondContact O-N 2.92Å; E129-F131 VanDerWaalsContact O-N 3.07Å
132	P	47.3	Very low	59.2	Low	118 Å²	118	97.7 Å²	97.7	77%	0.766	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-64.9	135.3	178.1	26	-33.3	0	0	0	110.7
133	P	44.2	Very low	57	Low	114 Å²	114	101.6 Å²	101.6	74%	0.74	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-72.8	149.4	-176.6	30.1	-35.5	0	0	0	111.9
134	P	44.9	Very low	55.4	Low	114 Å²	114	106.2 Å²	106.2	74%	0.74	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-73.1	129.9	169.9	30.4	-33.3	0	0	0	110.9	T136	P134-T136 PolarHBondContact O-N 3.19Å; P134-T136 PolarHBondContact O-OG1 3.15Å
135	D	34.8	Very low	53.2	Low	174 Å²	174	113.3 Å²	113.3	93%	0.93	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-55.4	135.6	178.5	-76.1	-52.5	0	0	0	112.3
136	T	39.8	Very low	52	Low	129 Å²	129	113.9 Å²	113.9	79%	0.791	66%	0.655	S	S	*	*			trans	-129.5	123	-179.2	-41	0	0	0	0	110.8	P134	P134-T136 PolarHBondContact O-N 3.19Å; P134-T136 PolarHBondContact O-OG1 3.15Å
137	T	32.8	Very low	51	Low	133 Å²	133	118.4 Å²	118.4	82%	0.816	66%	0.664	S	S	*	*			trans	-107.1	153	169.7	40.1	0	0	0	0	111.7
138	P	43.8	Very low	49.9	Very low	122 Å²	122	122.8 Å²	122.8	79%	0.792	69%	0.688	S	S	*	*			trans	-93.5	129.9	-145	33.2	-36.3	0	0	0	117.3
139	L	49	Very low	48.9	Very low	165 Å²	165	124.8 Å²	124.8	86%	0.864	69%	0.694	S	S	*	*			trans	50.7	120.5	135.3	-157.9	71.3	0	0	0	120.7
140	S	29.6	Very low	48.4	Very low	108 Å²	108	126 Å²	126	76%	0.755	71%	0.706	S	S	*	*			trans	-151	158.2	153.2	-78.5	0	0	0	0	110.7
141	P	46.8	Very low	48.7	Very low	99 Å²	99	125.7 Å²	125.7	64%	0.643	70%	0.703	S	S	*	*			trans	-73.6	164.5	-168.6	-17.3	33.2	0	0	0	114.6	H143	P141-H143 PolarHBondContact O-N 3.3Å; P141-H143 VanDerWaalsContact O-N 3.08Å
142	P	50.7	Low	49.5	Very low	133 Å²	133	125.4 Å²	125.4	86%	0.864	71%	0.706	S	S	*	*			trans	-76.1	100.5	-169.9	30.6	-35.3	0	0	0	112.7
143	H	35.8	Very low	50.8	Low	151 Å²	151	125.4 Å²	125.4	70%	0.699	70%	0.698	S	S	*	*			trans	-90.9	124.4	162.9	-77.1	-80	0	0	0	110.9	P141 F145	P141-H143 PolarHBondContact O-N 3.3Å; P141-H143 VanDerWaalsContact O-N 3.08Å; H143-F145 HydrophobicContact CB-CD2 3.76Å; H143-F145 HydrophobicContact CB-CE2 3.6Å; H143-F145 PolarHBondContact O-N 3.21Å
144	S	51.4	Low	52.4	Low	118 Å²	118	122.3 Å²	122.3	83%	0.825	68%	0.683	S	S	*	*			trans	-71.2	89.2	172.7	54.9	0	0	0	0	110.8
145	F	42.6	Very low	54.2	Low	149 Å²	149	122.3 Å²	122.3	65%	0.654	68%	0.676	S	S	*	*			trans	-91	151.4	168.7	-82.3	-80.7	0	0	0	111.7	H143 E149	H143-F145 HydrophobicContact CB-CD2 3.76Å; H143-F145 HydrophobicContact CB-CE2 3.6Å; H143-F145 PolarHBondContact O-N 3.21Å; F145-E149 VanDerWaalsContact CD1-OE2 3.31Å; F145-E149 WeakPolarHBondContact CD1-OE2 3.12Å
146	N	59.5	Low	56.5	Low	99 Å²	99	116.4 Å²	116.4	53%	0.529	65%	0.651	S	S	.	*			trans	-81.5	147.3	-154.2	-65.3	-69.4	0	0	0	112.1	D148 E149 T150	N146-D148 PolarHBondContact O-N 2.84Å; N146-E149 PolarHBondContact O-N 2.85Å; N146-T150 PolarHBondContact O-N 2.83Å; N146-T150 PolarHBondContact O-OG1 3.25Å
147	R	58.9	Low	58.6	Low	209 Å²	209	113.5 Å²	113.5	79%	0.789	64%	0.636	S	S	*	*	H	α-helix	trans	-52.7	-31.4	176.5	-75.8	178.9	170	163.7	-3.6	112.3	T150 I151	R147-T150 WeakPolarHBondContact O-CB 3.22Å; R147-T150 PolarHBondContact O-N 3.21Å; R147-I151 WeakPolarHBondContact O-CB 3.23Å; R147-I151 WeakPolarHBondContact O-CD1 3.47Å; R147-I151 VanDerWaalsContact O-CG1 3.22Å; R147-I151 WeakPolarHBondContact O-CG1 3.35Å; R147-I151 PolarHBondContact O-N 3.09Å
148	D	59.4	Low	61.4	Low	110 Å²	110	111.1 Å²	111.1	59%	0.588	62%	0.621	S	S	*	*	H	α-helix	trans	-64.7	-37.7	178.7	-53.3	-53.7	0	0	0	112.5	N146 I151 I152	N146-D148 PolarHBondContact O-N 2.84Å; D148-I151 PolarHBondContact O-N 2.85Å; D148-I152 WeakPolarHBondContact O-CB 3.45Å; D148-I152 WeakPolarHBondContact O-CD1 3.24Å; D148-I152 WeakPolarHBondContact O-CG1 3.37Å; D148-I152 PolarHBondContact O-N 3.48Å
149	E	57.8	Low	63.4	Low	93 Å²	93	108.4 Å²	108.4	44%	0.435	61%	0.605	S	S	.	*	H	α-helix	trans	-71.2	-37.7	173.4	-68.5	176	139.2	0	0	111.1	F145 N146 I151 I152 I153	F145-E149 VanDerWaalsContact CD1-OE2 3.31Å; F145-E149 WeakPolarHBondContact CD1-OE2 3.12Å; N146-E149 PolarHBondContact O-N 2.85Å; E149-I151 VanDerWaalsContact C-N 3.3Å; E149-I151 PolarHBondContact O-N 3.29Å; E149-I152 PolarHBondContact O-N 2.93Å; E149-I153 WeakPolarHBondContact O-CB 3.47Å; E149-I153 VanDerWaalsContact O-CG1 3.27Å; E149-I153 WeakPolarHBondContact O-CG1 3.25Å; E149-I153 PolarHBondContact O-N 2.87Å
150	T	63.6	Low	65.4	Low	90 Å²	90	104.8 Å²	104.8	55%	0.552	59%	0.59	S	S	*	*	H	α-helix	trans	-62.9	-38.5	173.5	-25.8	0	0	0	0	111.5	N146 R147 A154	N146-T150 PolarHBondContact O-N 2.83Å; N146-T150 PolarHBondContact O-OG1 3.25Å; R147-T150 WeakPolarHBondContact O-CB 3.22Å; R147-T150 PolarHBondContact O-N 3.21Å; T150-A154 VanDerWaalsContact O-CB 3.3Å; T150-A154 WeakPolarHBondContact O-CB 3.36Å; T150-A154 PolarHBondContact O-N 2.68Å
151	I	71.6	Confident	68.3	Low	92 Å²	92	104.4 Å²	104.4	47%	0.472	58%	0.579	S	S	.	*	H	α-helix	trans	-68.8	-41.3	174.8	-71.3	162.7	0	0	0	110.8	R147 D148 E149 A154 L155	R147-I151 WeakPolarHBondContact O-CB 3.23Å; R147-I151 WeakPolarHBondContact O-CD1 3.47Å; R147-I151 VanDerWaalsContact O-CG1 3.22Å; R147-I151 WeakPolarHBondContact O-CG1 3.35Å; R147-I151 PolarHBondContact O-N 3.09Å; D148-I151 PolarHBondContact O-N 2.85Å; E149-I151 VanDerWaalsContact C-N 3.3Å; E149-I151 PolarHBondContact O-N 3.29Å; I151-A154 PolarHBondContact O-N 2.86Å; I151-L155 HydrophobicContact CG2-CD1 3.83Å; I151-L155 HydrophobicContact CG2-CG 4.33Å; I151-L155 WeakPolarHBondContact O-CB 3.49Å; I151-L155 VanDerWaalsContact O-CG 3.26Å; I151-L155 WeakPolarHBondContact O-CG 3.38Å; I151-L155 PolarHBondContact O-N 2.86Å
152	I	75.9	Confident	70.4	Confident	113 Å²	113	103.2 Å²	103.2	58%	0.579	57%	0.57	S	S	*	*	H	α-helix	trans	-63.2	-42.9	175.1	-72.2	162.8	0	0	0	110.7	D148 E149 L155 A156	D148-I152 WeakPolarHBondContact O-CB 3.45Å; D148-I152 WeakPolarHBondContact O-CD1 3.24Å; D148-I152 WeakPolarHBondContact O-CG1 3.37Å; D148-I152 PolarHBondContact O-N 3.48Å; E149-I152 PolarHBondContact O-N 2.93Å; I152-L155 PolarHBondContact O-N 3.45Å; I152-A156 WeakPolarHBondContact O-CB 3.26Å; I152-A156 PolarHBondContact O-N 2.81Å
153	I	73.5	Confident	72.3	Confident	118 Å²	118	101.2 Å²	101.2	61%	0.605	56%	0.555	S	S	*	*	H	α-helix	trans	-66.3	-40.1	176.3	-68.1	164.8	0	0	0	111.1	E149 A156 S157	E149-I153 WeakPolarHBondContact O-CB 3.47Å; E149-I153 VanDerWaalsContact O-CG1 3.27Å; E149-I153 WeakPolarHBondContact O-CG1 3.25Å; E149-I153 PolarHBondContact O-N 2.87Å; I153-A156 PolarHBondContact O-N 3.02Å; I153-S157 WeakPolarHBondContact O-CB 3.31Å; I153-S157 PolarHBondContact O-N 2.58Å; I153-S157 PolarHBondContact O-OG 3.01Å
154	A	78.5	Confident	75	Confident	50 Å²	50	98.4 Å²	98.4	41%	0.413	54%	0.544	S	S	.	.	H	α-helix	trans	-66.2	-42.3	175.2	0	0	0	0	0	112.4	T150 I151 A156 S157 V158	T150-A154 VanDerWaalsContact O-CB 3.3Å; T150-A154 WeakPolarHBondContact O-CB 3.36Å; T150-A154 PolarHBondContact O-N 2.68Å; I151-A154 PolarHBondContact O-N 2.86Å; A154-A156 VanDerWaalsContact C-N 3.34Å; A154-S157 PolarHBondContact O-N 3.43Å; A154-S157 PolarHBondContact O-OG 3.43Å; A154-V158 WeakPolarHBondContact O-CB 3.5Å; A154-V158 VanDerWaalsContact O-CG2 3.32Å; A154-V158 WeakPolarHBondContact O-CG2 3.46Å; A154-V158 PolarHBondContact O-N 3.17Å
155	L	82.1	Confident	76.9	Confident	113 Å²	113	97 Å²	97	59%	0.592	53%	0.526	S	S	*	.	H	α-helix	trans	-67.6	-35.6	174.6	-71	171.8	0	0	0	111.7	I151 I152 S159	I151-L155 HydrophobicContact CG2-CD1 3.83Å; I151-L155 HydrophobicContact CG2-CG 4.33Å; I151-L155 WeakPolarHBondContact O-CB 3.49Å; I151-L155 VanDerWaalsContact O-CG 3.26Å; I151-L155 WeakPolarHBondContact O-CG 3.38Å; I151-L155 PolarHBondContact O-N 2.86Å; I152-L155 PolarHBondContact O-N 3.45Å; L155-S159 WeakPolarHBondContact O-CB 3.44Å; L155-S159 PolarHBondContact O-N 3.16Å
156	A	83.4	Confident	79.1	Confident	50 Å²	50	94.5 Å²	94.5	41%	0.413	52%	0.524	S	S	.	.	H	α-helix	trans	-66.6	-42.3	173.1	0	0	0	0	0	111.6	I152 I153 A154 S159 V160	I152-A156 WeakPolarHBondContact O-CB 3.26Å; I152-A156 PolarHBondContact O-N 2.81Å; I153-A156 PolarHBondContact O-N 3.02Å; A154-A156 VanDerWaalsContact C-N 3.34Å; A156-S159 WeakPolarHBondContact O-CB 3.42Å; A156-S159 PolarHBondContact O-N 3.28Å; A156-V160 WeakPolarHBondContact O-CB 3.07Å; A156-V160 WeakPolarHBondContact O-CG2 3.39Å; A156-V160 PolarHBondContact O-N 3.34Å
157	S	83.8	Confident	80.4	Confident	69 Å²	69	92.5 Å²	92.5	48%	0.483	52%	0.52	S	S	.	.	H	α-helix	trans	-68.6	-37.4	177.6	70.9	0	0	0	0	112.3	I153 A154 V160 L161	I153-S157 WeakPolarHBondContact O-CB 3.31Å; I153-S157 PolarHBondContact O-N 2.58Å; I153-S157 PolarHBondContact O-OG 3.01Å; A154-S157 PolarHBondContact O-N 3.43Å; A154-S157 PolarHBondContact O-OG 3.43Å; S157-V160 PolarHBondContact O-N 3.14Å; S157-L161 VanDerWaalsContact O-CB 3.26Å; S157-L161 WeakPolarHBondContact O-CB 3.38Å; S157-L161 PolarHBondContact O-N 3.42Å
158	V	91.3	Very high	81.9	Confident	83 Å²	83	88.5 Å²	88.5	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-67	-36.4	170.2	172.3	0	0	0	0	111.7	A154 L161 T162	A154-V158 WeakPolarHBondContact O-CB 3.5Å; A154-V158 VanDerWaalsContact O-CG2 3.32Å; A154-V158 WeakPolarHBondContact O-CG2 3.46Å; A154-V158 PolarHBondContact O-N 3.17Å; V158-L161 PolarHBondContact O-N 3.4Å; V158-T162 WeakPolarHBondContact O-CB 3.37Å; V158-T162 WeakPolarHBondContact O-CG2 3.29Å; V158-T162 PolarHBondContact O-N 3.07Å; V158-T162 PolarHBondContact O-OG1 3.08Å
159	S	86.2	Confident	82.9	Confident	64 Å²	64	86.6 Å²	86.6	45%	0.448	51%	0.509	S	S	.	.	H	α-helix	trans	-66.3	-42.8	173.5	-169.9	0	0	0	0	111.9	L155 A156 T162 V163	L155-S159 WeakPolarHBondContact O-CB 3.44Å; L155-S159 PolarHBondContact O-N 3.16Å; A156-S159 WeakPolarHBondContact O-CB 3.42Å; A156-S159 PolarHBondContact O-N 3.28Å; S159-T162 WeakPolarHBondContact CA-OG1 3.31Å; S159-T162 PolarHBondContact O-N 3.48Å; S159-T162 PolarHBondContact O-OG1 3.4Å; S159-T162 VanDerWaalsContact O-OG1 3.06Å; S159-V163 WeakPolarHBondContact O-CB 3.48Å; S159-V163 VanDerWaalsContact O-CG2 3.26Å; S159-V163 WeakPolarHBondContact O-CG2 3.36Å; S159-V163 PolarHBondContact O-N 3.06Å
160	V	90.6	Very high	84	Confident	89 Å²	89	88.5 Å²	88.5	54%	0.539	52%	0.516	S	S	.	.	H	α-helix	trans	-65.7	-40.5	173.5	169.8	0	0	0	0	111.1	A156 S157 V163 L164	A156-V160 WeakPolarHBondContact O-CB 3.07Å; A156-V160 WeakPolarHBondContact O-CG2 3.39Å; A156-V160 PolarHBondContact O-N 3.34Å; S157-V160 PolarHBondContact O-N 3.14Å; V160-V163 PolarHBondContact O-N 3.31Å; V160-L164 HydrophobicContact CG1-CD1 3.9Å; V160-L164 HydrophobicContact CG1-CG 4.35Å; V160-L164 VanDerWaalsContact O-CB 3.31Å; V160-L164 WeakPolarHBondContact O-CB 3.36Å; V160-L164 VanDerWaalsContact O-CG 3.25Å; V160-L164 WeakPolarHBondContact O-CG 3.42Å; V160-L164 PolarHBondContact O-N 3.3Å
161	L	91.1	Very high	84.7	Confident	101 Å²	101	85.4 Å²	85.4	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-67.1	-40.2	177.3	-174.2	64.1	0	0	0	111.8	S157 V158 L164 I165	S157-L161 VanDerWaalsContact O-CB 3.26Å; S157-L161 WeakPolarHBondContact O-CB 3.38Å; S157-L161 PolarHBondContact O-N 3.42Å; V158-L161 PolarHBondContact O-N 3.4Å; L161-L164 PolarHBondContact O-N 3.39Å; L161-I165 HydrophobicContact CD1-CD1 4.44Å; L161-I165 HydrophobicContact CG-CD1 4.06Å; L161-I165 WeakPolarHBondContact O-CB 3.46Å; L161-I165 VanDerWaalsContact O-CG1 3.25Å; L161-I165 WeakPolarHBondContact O-CG1 3.42Å; L161-I165 PolarHBondContact O-N 2.8Å
162	T	89.9	Confident	85	Confident	74 Å²	74	88.6 Å²	88.6	45%	0.454	51%	0.509	S	S	.	.	H	α-helix	trans	-70.3	-37.1	174.5	48.1	0	0	0	0	112.3	V158 S159 I165 V166	V158-T162 WeakPolarHBondContact O-CB 3.37Å; V158-T162 WeakPolarHBondContact O-CG2 3.29Å; V158-T162 PolarHBondContact O-N 3.07Å; V158-T162 PolarHBondContact O-OG1 3.08Å; S159-T162 WeakPolarHBondContact CA-OG1 3.31Å; S159-T162 PolarHBondContact O-N 3.48Å; S159-T162 PolarHBondContact O-OG1 3.4Å; S159-T162 VanDerWaalsContact O-OG1 3.06Å; T162-I165 PolarHBondContact O-N 3.39Å; T162-V166 WeakPolarHBondContact O-CB 3.48Å; T162-V166 VanDerWaalsContact O-CG2 3.26Å; T162-V166 WeakPolarHBondContact O-CG2 3.42Å; T162-V166 PolarHBondContact O-N 2.87Å
163	V	91.9	Very high	84.9	Confident	90 Å²	90	92.3 Å²	92.3	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-64.7	-38.9	170.2	167.9	0	0	0	0	111.3	S159 V160 V166 A167	S159-V163 WeakPolarHBondContact O-CB 3.48Å; S159-V163 VanDerWaalsContact O-CG2 3.26Å; S159-V163 WeakPolarHBondContact O-CG2 3.36Å; S159-V163 PolarHBondContact O-N 3.06Å; V160-V163 PolarHBondContact O-N 3.31Å; V163-V166 PolarHBondContact O-N 2.9Å; V163-A167 WeakPolarHBondContact O-CB 3.41Å; V163-A167 PolarHBondContact O-N 2.74Å
164	L	91.1	Very high	84.9	Confident	93 Å²	93	91 Å²	91	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-67.1	-41.6	174.2	-77.7	169.5	0	0	0	111.9	V160 L161 A167 L168	V160-L164 HydrophobicContact CG1-CD1 3.9Å; V160-L164 HydrophobicContact CG1-CG 4.35Å; V160-L164 VanDerWaalsContact O-CB 3.31Å; V160-L164 WeakPolarHBondContact O-CB 3.36Å; V160-L164 VanDerWaalsContact O-CG 3.25Å; V160-L164 WeakPolarHBondContact O-CG 3.42Å; V160-L164 PolarHBondContact O-N 3.3Å; L161-L164 PolarHBondContact O-N 3.39Å; L164-A167 PolarHBondContact O-N 2.76Å; L164-L168 VanDerWaalsContact O-CB 3.26Å; L164-L168 WeakPolarHBondContact O-CB 3.49Å; L164-L168 VanDerWaalsContact O-CG 3.23Å; L164-L168 WeakPolarHBondContact O-CG 3.26Å; L164-L168 PolarHBondContact O-N 3.26Å
165	I	91.8	Very high	84.3	Confident	87 Å²	87	95.4 Å²	95.4	45%	0.446	52%	0.524	S	S	.	.	H	α-helix	trans	-64.8	-42.4	173.9	-70.6	164.1	0	0	0	110.1	L161 T162 L168 C169	L161-I165 HydrophobicContact CD1-CD1 4.44Å; L161-I165 HydrophobicContact CG-CD1 4.06Å; L161-I165 WeakPolarHBondContact O-CB 3.46Å; L161-I165 VanDerWaalsContact O-CG1 3.25Å; L161-I165 WeakPolarHBondContact O-CG1 3.42Å; L161-I165 PolarHBondContact O-N 2.8Å; T162-I165 PolarHBondContact O-N 3.39Å; I165-L168 PolarHBondContact O-N 2.91Å; I165-C169 VanDerWaalsContact O-CB 3.24Å; I165-C169 WeakPolarHBondContact O-CB 3.29Å; I165-C169 PolarHBondContact O-N 2.61Å; I165-C169 PolarHBondContact O-SG 2.8Å
166	V	89.8	Confident	83.2	Confident	98 Å²	98	91.6 Å²	91.6	59%	0.594	51%	0.505	S	S	*	.	H	α-helix	trans	-66.2	-37.8	174.9	170	0	0	0	0	111.3	T162 V163 C169 F170	T162-V166 WeakPolarHBondContact O-CB 3.48Å; T162-V166 VanDerWaalsContact O-CG2 3.26Å; T162-V166 WeakPolarHBondContact O-CG2 3.42Å; T162-V166 PolarHBondContact O-N 2.87Å; V163-V166 PolarHBondContact O-N 2.9Å; V166-C169 PolarHBondContact O-N 3.36Å; V166-F170 WeakPolarHBondContact O-CA 3.3Å; V166-F170 WeakPolarHBondContact O-CB 3.39Å; V166-F170 PolarHBondContact O-N 3.37Å
167	A	86.8	Confident	81.7	Confident	56 Å²	56	90.4 Å²	90.4	46%	0.463	50%	0.498	S	S	.	.	H	α-helix	trans	-72.2	-33.5	176.2	0	0	0	0	0	112.6	V163 L164 G171	V163-A167 WeakPolarHBondContact O-CB 3.41Å; V163-A167 PolarHBondContact O-N 2.74Å; L164-A167 PolarHBondContact O-N 2.76Å; A167-G171 WeakPolarHBondContact O-CA 3.11Å; A167-G171 PolarHBondContact O-N 3.44Å
168	L	88.9	Confident	80.1	Confident	125 Å²	125	91.9 Å²	91.9	65%	0.654	50%	0.501	S	S	*	.	H	α-helix	trans	-72.5	-39.7	171.5	-74.6	168.3	0	0	0	111.1	L164 I165 Y172	L164-L168 VanDerWaalsContact O-CB 3.26Å; L164-L168 WeakPolarHBondContact O-CB 3.49Å; L164-L168 VanDerWaalsContact O-CG 3.23Å; L164-L168 WeakPolarHBondContact O-CG 3.26Å; L164-L168 PolarHBondContact O-N 3.26Å; I165-L168 PolarHBondContact O-N 2.91Å; L168-Y172 WeakPolarHBondContact O-CA 3.28Å; L168-Y172 WeakPolarHBondContact O-CB 3.34Å; L168-Y172 PolarHBondContact O-N 3.28Å
169	C	81.9	Confident	78	Confident	71 Å²	71	96.7 Å²	96.7	48%	0.48	51%	0.51	S	S	.	.	H	α-helix	trans	-69.8	-34.8	172.9	-73.6	0	0	0	0	112.3	I165 V166 R173	I165-C169 VanDerWaalsContact O-CB 3.24Å; I165-C169 WeakPolarHBondContact O-CB 3.29Å; I165-C169 PolarHBondContact O-N 2.61Å; I165-C169 PolarHBondContact O-SG 2.8Å; V166-C169 PolarHBondContact O-N 3.36Å; C169-R173 WeakPolarHBondContact O-CB 3.48Å; C169-R173 WeakPolarHBondContact O-CG 3.4Å; C169-R173 PolarHBondContact O-N 3.46Å
170	F	79.6	Confident	76.3	Confident	133 Å²	133	102.2 Å²	102.2	58%	0.583	53%	0.526	S	S	*	.	H	α-helix	trans	-76	-42.7	175.9	-170.2	-94.5	0	0	0	111.1	V166 R173 M174	V166-F170 WeakPolarHBondContact O-CA 3.3Å; V166-F170 WeakPolarHBondContact O-CB 3.39Å; V166-F170 PolarHBondContact O-N 3.37Å; F170-R173 CarbonylContact O-C 3.49Å; F170-R173 VanDerWaalsContact O-C 3.25Å; F170-R173 WeakPolarHBondContact O-CA 3.43Å; F170-R173 PolarHBondContact O-N 3.15Å; F170-R173 VanDerWaalsContact O-N 3.09Å; F170-M174 HydrophobicContact CD1-CG 4.19Å; F170-M174 HydrophobicContact CD1-SD 4.21Å; F170-M174 HydrophobicContact CE1-CG 3.89Å; F170-M174 HydrophobicContact CE1-SD 3.6Å; F170-M174 HydrophobicContact CZ-CG 4.42Å; F170-M174 HydrophobicContact CZ-SD 4.37Å; F170-M174 WeakPolarHBondContact O-CG 3.43Å; F170-M174 PolarHBondContact O-N 2.96Å
171	G	78.9	Confident	74	Confident	25 Å²	25	105.8 Å²	105.8	26%	0.258	54%	0.537	S	S	.	.	H	α-helix	trans	-59.5	-47.3	170.4	0	0	0	0	0	111.5	A167 R173 M174 L175	A167-G171 WeakPolarHBondContact O-CA 3.11Å; A167-G171 PolarHBondContact O-N 3.44Å; G171-R173 VanDerWaalsContact C-N 3.31Å; G171-R173 PolarHBondContact O-N 3.38Å; G171-M174 PolarHBondContact O-N 2.87Å; G171-L175 WeakPolarHBondContact O-CD1 3.4Å; G171-L175 PolarHBondContact O-N 3.22Å
172	Y	77.8	Confident	71.3	Confident	159 Å²	159	101.9 Å²	101.9	62%	0.624	52%	0.521	S	S	*	.	H	α-helix	trans	-59.9	-39.5	170.9	-174.7	-90.9	0	0	0	111.6	L168 M174 T176	L168-Y172 WeakPolarHBondContact O-CA 3.28Å; L168-Y172 WeakPolarHBondContact O-CB 3.34Å; L168-Y172 PolarHBondContact O-N 3.28Å; Y172-M174 VanDerWaalsContact C-N 3.3Å; Y172-M174 PolarHBondContact O-N 3.2Å; Y172-T176 HydrophobicContact CD1-CG2 4.18Å; Y172-T176 HydrophobicContact CD2-CG2 4.39Å; Y172-T176 HydrophobicContact CE1-CG2 3.87Å; Y172-T176 HydrophobicContact CE2-CG2 4.1Å; Y172-T176 HydrophobicContact CG-CG2 4.43Å; Y172-T176 WeakPolarHBondContact O-CA 3.25Å; Y172-T176 VanDerWaalsContact O-CB 3.26Å; Y172-T176 WeakPolarHBondContact O-CB 3.49Å; Y172-T176 WeakPolarHBondContact O-CG2 3.5Å; Y172-T176 PolarHBondContact O-N 3.37Å; Y172-T176 PolarHBondContact O-OG1 3.06Å
173	R	75	Confident	68.9	Low	191 Å²	191	105 Å²	105	72%	0.721	53%	0.534	S	S	*	.	H	α-helix	trans	-77.3	-4.8	173.6	-72.9	-176.5	96.3	-164.5	6.7	114.7	C169 F170 G171 G177	C169-R173 WeakPolarHBondContact O-CB 3.48Å; C169-R173 WeakPolarHBondContact O-CG 3.4Å; C169-R173 PolarHBondContact O-N 3.46Å; F170-R173 CarbonylContact O-C 3.49Å; F170-R173 VanDerWaalsContact O-C 3.25Å; F170-R173 WeakPolarHBondContact O-CA 3.43Å; F170-R173 PolarHBondContact O-N 3.15Å; F170-R173 VanDerWaalsContact O-N 3.09Å; G171-R173 VanDerWaalsContact C-N 3.31Å; G171-R173 PolarHBondContact O-N 3.38Å; R173-G177 WeakPolarHBondContact O-CA 3.49Å; R173-G177 PolarHBondContact O-N 2.78Å
174	M	71.5	Confident	66.4	Low	91 Å²	91	108 Å²	108	45%	0.448	54%	0.542	S	S	.	.	H	α-helix	trans	-90.2	-56	162.4	-72.4	-162.9	73.8	0	0	109.3	F170 G171 Y172 T176 G177 D178	F170-M174 HydrophobicContact CD1-CG 4.19Å; F170-M174 HydrophobicContact CD1-SD 4.21Å; F170-M174 HydrophobicContact CE1-CG 3.89Å; F170-M174 HydrophobicContact CE1-SD 3.6Å; F170-M174 HydrophobicContact CZ-CG 4.42Å; F170-M174 HydrophobicContact CZ-SD 4.37Å; F170-M174 WeakPolarHBondContact O-CG 3.43Å; F170-M174 PolarHBondContact O-N 2.96Å; G171-M174 PolarHBondContact O-N 2.87Å; Y172-M174 VanDerWaalsContact C-N 3.3Å; Y172-M174 PolarHBondContact O-N 3.2Å; M174-T176 PolarHBondContact O-N 2.88Å; M174-G177 PolarHBondContact O-N 3.21Å; M174-D178 WeakPolarHBondContact O-CB 3.12Å; M174-D178 PolarHBondContact O-N 3.3Å
175	L	65.9	Low	63.9	Low	142 Å²	142	107 Å²	107	74%	0.743	54%	0.542	S	S	*	.	H	α-helix	trans	-56.5	-22.3	175.1	-82.3	81.8	0	0	0	113.8	G171	G171-L175 WeakPolarHBondContact O-CD1 3.4Å; G171-L175 PolarHBondContact O-N 3.22Å
176	T	60.9	Low	61.3	Low	32 Å²	32	110.3 Å²	110.3	20%	0.196	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-113.7	-11.2	171.7	68.8	0	0	0	0	114.9	Y172 M174 R179 K180	Y172-T176 HydrophobicContact CD1-CG2 4.18Å; Y172-T176 HydrophobicContact CD2-CG2 4.39Å; Y172-T176 HydrophobicContact CE1-CG2 3.87Å; Y172-T176 HydrophobicContact CE2-CG2 4.1Å; Y172-T176 HydrophobicContact CG-CG2 4.43Å; Y172-T176 WeakPolarHBondContact O-CA 3.25Å; Y172-T176 VanDerWaalsContact O-CB 3.26Å; Y172-T176 WeakPolarHBondContact O-CB 3.49Å; Y172-T176 WeakPolarHBondContact O-CG2 3.5Å; Y172-T176 PolarHBondContact O-N 3.37Å; Y172-T176 PolarHBondContact O-OG1 3.06Å; M174-T176 PolarHBondContact O-N 2.88Å; T176-R179 CarbonylContact O-C 3.57Å; T176-K180 PolarHBondContact O-N 3.39Å
177	G	51.8	Low	58.8	Low	26 Å²	26	110.1 Å²	110.1	27%	0.268	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.5	-40.8	174.4	0	0	0	0	0	112.2	R173 M174 R179 K180 Q181	R173-G177 WeakPolarHBondContact O-CA 3.49Å; R173-G177 PolarHBondContact O-N 2.78Å; M174-G177 PolarHBondContact O-N 3.21Å; G177-R179 PolarHBondContact O-N 3.29Å; G177-K180 CarbonylContact O-C 3.25Å; G177-K180 WeakPolarHBondContact O-CA 3.47Å; G177-K180 WeakPolarHBondContact O-CB 3.49Å; G177-K180 PolarHBondContact O-N 3.11Å; G177-Q181 PolarHBondContact O-N 2.86Å; G177-Q181 VanDerWaalsContact O-N 3.1Å
178	D	48.7	Very low	56.5	Low	100 Å²	100	114.1 Å²	114.1	54%	0.535	56%	0.564	S	S	.	*	H	α-helix	trans	-67.5	-14.8	164.7	-64.4	-24.7	0	0	0	110.8	M174 K180 G182	M174-D178 WeakPolarHBondContact O-CB 3.12Å; M174-D178 PolarHBondContact O-N 3.3Å; D178-K180 VanDerWaalsContact C-N 3.35Å; D178-G182 WeakPolarHBondContact O-CA 3.31Å; D178-G182 PolarHBondContact O-N 3.19Å
179	R	48.9	Very low	53.9	Low	183 Å²	183	116.2 Å²	116.2	69%	0.691	57%	0.573	S	S	*	*	H	α-helix	trans	-87.4	3.1	164.6	-149.1	167.2	72.1	-175.4	2.8	114.3	T176 G177	T176-R179 CarbonylContact O-C 3.57Å; G177-R179 PolarHBondContact O-N 3.29Å
180	K	49.7	Very low	52	Low	181 Å²	181	119.9 Å²	119.9	79%	0.787	58%	0.583	S	S	*	*	H	α-helix	trans	-111.6	-12.2	169.1	-74.9	-170.1	176.3	-164.3	0	114	T176 G177 D178	T176-K180 PolarHBondContact O-N 3.39Å; G177-K180 CarbonylContact O-C 3.25Å; G177-K180 WeakPolarHBondContact O-CA 3.47Å; G177-K180 WeakPolarHBondContact O-CB 3.49Å; G177-K180 PolarHBondContact O-N 3.11Å; D178-K180 VanDerWaalsContact C-N 3.35Å
181	Q	41.2	Very low	50	Low	163 Å²	163	116.8 Å²	116.8	76%	0.762	58%	0.582	S	S	*	*	H	α-helix	trans	-101.8	-31.1	158.5	-71.9	-173.9	-32.7	0	0	112.2	G177 L183 H184	G177-Q181 PolarHBondContact O-N 2.86Å; G177-Q181 VanDerWaalsContact O-N 3.1Å; Q181-L183 PolarHBondContact O-N 3.04Å; Q181-H184 PolarHBondContact O-N 3.25Å; Q181-H184 VanDerWaalsContact O-N 3.14Å
182	G	34.7	Very low	48	Very low	19 Å²	19	119.5 Å²	119.5	20%	0.196	60%	0.602	C	S	.	*	G	3₁₀ helix	trans	-68.3	1.2	174.6	0	0	0	0	0	115.9	D178 H184 S185 M186	D178-G182 WeakPolarHBondContact O-CA 3.31Å; D178-G182 PolarHBondContact O-N 3.19Å; G182-H184 PolarHBondContact O-N 3.16Å; G182-S185 WeakPolarHBondContact O-CA 3.43Å; G182-S185 WeakPolarHBondContact O-CB 3.25Å; G182-S185 PolarHBondContact O-N 2.89Å; G182-M186 PolarHBondContact O-N 3.24Å
183	L	40.3	Very low	46.2	Very low	141 Å²	141	115 Å²	115	74%	0.738	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-63.6	-19	164.3	-167.4	62.9	0	0	0	111.7	Q181	Q181-L183 PolarHBondContact O-N 3.04Å
184	H	39.7	Very low	44.5	Very low	152 Å²	152	111 Å²	111	70%	0.704	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-86.3	-11.1	167.9	-157.4	-62.4	0	0	0	113.3	Q181 G182	Q181-H184 PolarHBondContact O-N 3.25Å; Q181-H184 VanDerWaalsContact O-N 3.14Å; G182-H184 PolarHBondContact O-N 3.16Å
185	S	37.6	Very low	43.7	Very low	71 Å²	71	113.8 Å²	113.8	50%	0.497	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.3	-25.8	-172.8	-166	0	0	0	0	113.6	G182 N187 M188	G182-S185 WeakPolarHBondContact O-CA 3.43Å; G182-S185 WeakPolarHBondContact O-CB 3.25Å; G182-S185 PolarHBondContact O-N 2.89Å; S185-N187 PolarHBondContact O-N 2.97Å; S185-M188 WeakPolarHBondContact O-CB 3.26Å; S185-M188 PolarHBondContact O-N 2.88Å
186	M	36.9	Very low	42.6	Very low	157 Å²	157	112.2 Å²	112.2	77%	0.773	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-25	168.2	-70	-163.6	69.9	0	0	112.3	G182 M188	G182-M186 PolarHBondContact O-N 3.24Å; M186-M188 PolarHBondContact O-N 2.94Å
187	N	38.6	Very low	41.9	Very low	95 Å²	95	116 Å²	116	51%	0.508	64%	0.637	S	S	.	*	H	α-helix	trans	-63.9	-17	168.6	-67.1	3.8	0	0	0	113.3	S185 E190 A191	S185-N187 PolarHBondContact O-N 2.97Å; N187-E190 PolarHBondContact O-N 3.42Å; N187-A191 WeakPolarHBondContact O-CB 3.2Å; N187-A191 PolarHBondContact O-N 2.96Å
188	M	38	Very low	42.4	Very low	139 Å²	139	118.4 Å²	118.4	69%	0.685	64%	0.643	S	S	*	*	H	α-helix	trans	-79.6	-17.1	-176.9	-78.3	-167.5	66.2	0	0	114.9	S185 M186	S185-M188 WeakPolarHBondContact O-CB 3.26Å; S185-M188 PolarHBondContact O-N 2.88Å; M186-M188 PolarHBondContact O-N 2.94Å
189	M	34.1	Very low	43.3	Very low	170 Å²	170	117.8 Å²	117.8	84%	0.837	64%	0.64	S	S	*	*	H	α-helix	trans	-91.2	-20.7	168.8	-153.1	168.9	82.7	0	0	112.2	A192	M189-A192 WeakPolarHBondContact O-CB 3.34Å
190	E	42.2	Very low	44.9	Very low	147 Å²	147	110.9 Å²	110.9	69%	0.687	62%	0.617	S	S	*	*	H	α-helix	trans	-78.6	-34.9	168.6	-156.9	168.6	147.5	0	0	111	N187 A192 A193	N187-E190 PolarHBondContact O-N 3.42Å; E190-A192 PolarHBondContact O-N 3.21Å; E190-A192 VanDerWaalsContact O-N 3.16Å; E190-A193 CarbonylContact O-C 3.53Å; E190-A193 WeakPolarHBondContact O-CA 3.4Å; E190-A193 WeakPolarHBondContact O-CB 3.48Å; E190-A193 PolarHBondContact O-N 2.64Å
191	A	36.9	Very low	46.3	Very low	69 Å²	69	109.5 Å²	109.5	57%	0.57	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-7.3	171.2	0	0	0	0	0	114.4	N187 A193	N187-A191 WeakPolarHBondContact O-CB 3.2Å; N187-A191 PolarHBondContact O-N 2.96Å; A191-A193 VanDerWaalsContact C-N 3.27Å
192	A	37	Very low	48.4	Very low	82 Å²	82	105.4 Å²	105.4	68%	0.678	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-20.8	166.4	0	0	0	0	0	112	M189 E190 S194	M189-A192 WeakPolarHBondContact O-CB 3.34Å; E190-A192 PolarHBondContact O-N 3.21Å; E190-A192 VanDerWaalsContact O-N 3.16Å; A192-S194 VanDerWaalsContact C-N 3.34Å; A192-S194 PolarHBondContact O-N 3.01Å
193	A	39.9	Very low	51.2	Low	65 Å²	65	105.9 Å²	105.9	54%	0.537	60%	0.599	S	S	.	*	S	Bend	trans	-92.6	69.9	159.5	0	0	0	0	0	108.9	E190 A191 E195	E190-A193 CarbonylContact O-C 3.53Å; E190-A193 WeakPolarHBondContact O-CA 3.4Å; E190-A193 WeakPolarHBondContact O-CB 3.48Å; E190-A193 PolarHBondContact O-N 2.64Å; A191-A193 VanDerWaalsContact C-N 3.27Å; A193-E195 PolarHBondContact O-N 2.85Å
194	S	40.3	Very low	53.7	Low	105 Å²	105	103.7 Å²	103.7	73%	0.734	58%	0.584	S	S	*	*			trans	-67.5	83.6	161.1	61.8	0	0	0	0	108.2	A192	A192-S194 VanDerWaalsContact C-N 3.34Å; A192-S194 PolarHBondContact O-N 3.01Å
195	E	55.2	Low	56.2	Low	151 Å²	151	99 Å²	99	71%	0.706	56%	0.564	S	S	*	*			trans	-43.4	148.7	167	-77.4	-69.4	124.8	0	0	110.3	A193 S197	A193-E195 PolarHBondContact O-N 2.85Å; E195-S197 PolarHBondContact O-N 3.42Å
196	P	41.5	Very low	58.9	Low	108 Å²	108	101 Å²	101	70%	0.701	57%	0.568	S	S	*	*			trans	-56	114.6	170.6	25.9	-33.5	0	0	0	108.4	L198	P196-L198 VanDerWaalsContact C-N 3.28Å; P196-L198 PolarHBondContact O-N 2.79Å
197	S	47.3	Very low	61.7	Low	113 Å²	113	98.2 Å²	98.2	79%	0.79	55%	0.553	S	S	*	*			trans	-62.4	95.4	171	53	0	0	0	0	107.4	E195 D199	E195-S197 PolarHBondContact O-N 3.42Å; S197-D199 PolarHBondContact O-N 2.84Å
198	L	61.5	Low	64.4	Low	75 Å²	75	97.3 Å²	97.3	39%	0.393	55%	0.548	S	S	.	.			trans	-57.1	113.1	177.5	-122.9	173.3	0	0	0	107.1	P196 L200 I261	P196-L198 VanDerWaalsContact C-N 3.28Å; P196-L198 PolarHBondContact O-N 2.79Å; L198-L200 PolarHBondContact O-N 2.83Å; L198-I261 HydrophobicContact CD1-CG2 3.94Å
199	D	68.6	Low	67	Low	88 Å²	88	94.3 Å²	94.3	47%	0.471	53%	0.534	S	S	.	.			trans	-72.6	104.9	-161.4	-168	-3	0	0	0	111	S197 D201 N202	S197-D199 PolarHBondContact O-N 2.84Å; D199-D201 PolarHBondContact O-N 2.85Å; D199-D201 WeakPolarHBondContact OD1-CB 3.35Å; D199-D201 PolarHBondContact OD1-N 2.85Å; D199-D201 VanDerWaalsContact OD1-N 3.12Å; D199-N202 PolarHBondContact O-N 2.84Å
200	L	81	Confident	69.6	Low	38 Å²	38	87.7 Å²	87.7	20%	0.199	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-78.2	-4	-176.6	-74.5	160.3	0	0	0	112.4	L198 N202 L203 V262 D264 V278	L198-L200 PolarHBondContact O-N 2.83Å; L200-N202 PolarHBondContact O-N 2.64Å; L200-L203 HydrophobicContact CD2-CB 3.98Å; L200-L203 HydrophobicContact CD2-CD2 3.72Å; L200-L203 HydrophobicContact CD2-CG 4.32Å; L200-L203 VanDerWaalsContact O-CB 3.26Å; L200-L203 WeakPolarHBondContact O-CB 3.35Å; L200-L203 PolarHBondContact O-N 3.37Å; L200-V262 HydrophobicContact CD1-CG1 4.31Å; L200-V262 HydrophobicContact CD1-CG2 4.42Å; L200-V262 HydrophobicContact CD2-CG1 4Å; L200-V262 HydrophobicContact CG-CG1 4.49Å; L200-D264 HydrophobicContact CD1-CB 3.6Å; L200-D264 VanDerWaalsContact CD1-OD2 3.27Å; L200-D264 WeakPolarHBondContact CD1-OD2 3.44Å; L200-V278 HydrophobicContact CD2-CG2 4.27Å
201	D	79.8	Confident	71.8	Confident	152 Å²	152	89.9 Å²	89.9	81%	0.813	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-58.5	-28.5	168.4	-79.3	4.1	0	0	0	111.6	D199	D199-D201 PolarHBondContact O-N 2.85Å; D199-D201 WeakPolarHBondContact OD1-CB 3.35Å; D199-D201 PolarHBondContact OD1-N 2.85Å; D199-D201 VanDerWaalsContact OD1-N 3.12Å
202	N	86.2	Confident	73.7	Confident	77 Å²	77	88.7 Å²	88.7	41%	0.412	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-81.4	-5.7	174.2	-78	-22.2	0	0	0	114.3	D199 L200 K204 L222 D223	D199-N202 PolarHBondContact O-N 2.84Å; L200-N202 PolarHBondContact O-N 2.64Å; N202-K204 PolarHBondContact O-N 3.05Å; N202-K204 VanDerWaalsContact O-N 3.16Å; N202-L222 HydrophobicContact CB-CD1 4.49Å; N202-D223 PolarHBondContact ND2-OD1 2.88Å
203	L	92.1	Very high	75.7	Confident	28 Å²	28	92.2 Å²	92.2	15%	0.147	50%	0.501	C	S	.	.			trans	-76.5	103.1	-174.7	-174.6	68.8	0	0	0	112.4	L200 S221 L222 V227 V229 L276 V278	L200-L203 HydrophobicContact CD2-CB 3.98Å; L200-L203 HydrophobicContact CD2-CD2 3.72Å; L200-L203 HydrophobicContact CD2-CG 4.32Å; L200-L203 VanDerWaalsContact O-CB 3.26Å; L200-L203 WeakPolarHBondContact O-CB 3.35Å; L200-L203 PolarHBondContact O-N 3.37Å; L203-S221 WeakPolarHBondContact CA-O 3.38Å; L203-L222 HydrophobicContact CB-CD1 4.21Å; L203-L222 HydrophobicContact CD1-CB 3.93Å; L203-L222 HydrophobicContact CD1-CD1 4.3Å; L203-V227 HydrophobicContact CD1-CG2 3.84Å; L203-V229 HydrophobicContact CD1-CG2 3.97Å; L203-V229 HydrophobicContact CD2-CG1 4.27Å; L203-V229 HydrophobicContact CD2-CG2 4.24Å; L203-L276 HydrophobicContact CD2-CD2 3.73Å; L203-V278 HydrophobicContact CD2-CG2 4.07Å
204	K	92.6	Very high	77.8	Confident	96 Å²	96	89.9 Å²	89.9	42%	0.417	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.2	176.2	-60.4	159.3	-163.7	174	0	109.5	N202 L206 G220 S221 E224	N202-K204 PolarHBondContact O-N 3.05Å; N202-K204 VanDerWaalsContact O-N 3.16Å; K204-L206 HydrophobicContact CB-CD2 4.14Å; K204-G220 CarbonylContact O-C 3.42Å; K204-G220 WeakPolarHBondContact O-CA 3.43Å; K204-S221 PolarHBondContact N-O 3.11Å; K204-S221 PolarHBondContact O-N 2.93Å; K204-E224 IonicContact NZ-OE1 2.77Å; K204-E224 PolarHBondContact NZ-OE1 2.7Å
205	L	93.3	Very high	80.1	Confident	54 Å²	54	85.6 Å²	85.6	28%	0.283	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	134.9	163.6	-60.3	-171	0	0	0	109.2	Y218 V229 V231	L205-Y218 HydrophobicContact CD1-CD2 4.16Å; L205-Y218 HydrophobicContact CD1-CE2 4.44Å; L205-Y218 HydrophobicContact CD1-CG 4.27Å; L205-V229 HydrophobicContact CD2-CB 3.72Å; L205-V229 HydrophobicContact CD2-CG1 3.83Å; L205-V229 HydrophobicContact CD2-CG2 3.83Å; L205-V231 HydrophobicContact CD1-CG2 4.28Å
206	L	94.4	Very high	81.9	Confident	111 Å²	111	79.2 Å²	79.2	58%	0.581	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	-61.3	-172.8	-56.1	176.5	0	0	0	112.7	K204 K219	K204-L206 HydrophobicContact CB-CD2 4.14Å; L206-K219 WeakPolarHBondContact CA-O 3.24Å; L206-K219 WeakPolarHBondContact CB-O 3.33Å; L206-K219 PolarHBondContact N-O 3.36Å
207	E	95.1	Very high	84.5	Confident	99 Å²	99	75.9 Å²	75.9	46%	0.463	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.4	-165.8	-177.7	-168.2	164	0	0	109.1	I209 Y218 K219	E207-I209 PolarHBondContact O-N 2.81Å; E207-Y218 CarbonylContact O-C 3.48Å; E207-Y218 VanDerWaalsContact O-CA 3.23Å; E207-Y218 WeakPolarHBondContact O-CA 3.44Å; E207-K219 HydrophobicContact CB-CB 4.05Å; E207-K219 HydrophobicContact CB-CD 4.25Å; E207-K219 PolarHBondContact N-O 3.4Å; E207-K219 PolarHBondContact O-N 3.46Å; E207-K219 WeakPolarHBondContact OE2-CD 3.24Å; E207-K219 IonicContact OE2-NZ 2.91Å; E207-K219 PolarHBondContact OE2-NZ 3.03Å
208	L	95.6	Very high	86.9	Confident	76 Å²	76	73.7 Å²	73.7	40%	0.398	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	109	173.7	177.4	64.7	0	0	0	109.1	G210 A216 Y218	L208-G210 WeakPolarHBondContact CD1-O 3.48Å; L208-A216 HydrophobicContact CD1-CB 3.89Å; L208-Y218 HydrophobicContact CB-CD1 4.08Å; L208-Y218 HydrophobicContact CB-CE1 3.94Å; L208-Y218 HydrophobicContact CD1-CD1 4.12Å; L208-Y218 HydrophobicContact CD1-CE1 3.79Å; L208-Y218 HydrophobicContact CD1-CE2 4.33Å; L208-Y218 HydrophobicContact CG-CE1 4.42Å
209	I	92.9	Very high	88.6	Confident	77 Å²	77	72.9 Å²	72.9	40%	0.395	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-37.5	177.8	-59.3	165.5	0	0	0	110.2	E207 V217 K219 Y281	E207-I209 PolarHBondContact O-N 2.81Å; I209-V217 WeakPolarHBondContact CA-O 3.49Å; I209-V217 WeakPolarHBondContact CB-O 3.43Å; I209-V217 HydrophobicContact CD1-CG1 4.21Å; I209-V217 PolarHBondContact N-O 3.49Å; I209-K219 HydrophobicContact CD1-CB 3.88Å; I209-K219 VanDerWaalsContact CD1-N 3.35Å; I209-K219 HydrophobicContact CG1-CB 3.96Å; I209-Y281 HydrophobicContact CD1-CD2 4.02Å; I209-Y281 HydrophobicContact CD1-CE2 3.67Å; I209-Y281 HydrophobicContact CG1-CE2 4.46Å
210	G	89.2	Confident	89.9	Confident	30 Å²	30	68.8 Å²	68.8	31%	0.309	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	174.4	174.4	177.7	0	0	0	0	0	113.6	L208 V217	L208-G210 WeakPolarHBondContact CD1-O 3.48Å; G210-V217 PolarHBondContact N-O 3.5Å; G210-V217 PolarHBondContact O-N 3.15Å
211	R	88.4	Confident	90.6	Very high	193 Å²	193	67.4 Å²	67.4	73%	0.728	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	125	172.2	-64.1	178.3	-179.2	169.5	-0.4	108.7	A216	R211-A216 HydrophobicContact CG-CB 4.34Å
212	G	76.8	Confident	91.2	Very high	44 Å²	44	60.6 Å²	60.6	45%	0.454	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	177.4	171.7	0	0	0	0	0	111.3	Y214 G215	G212-Y214 PolarHBondContact O-N 3.27Å; G212-Y214 VanDerWaalsContact O-N 3.08Å; G212-G215 PolarHBondContact N-O 3.42Å; G212-G215 PolarHBondContact O-N 3.32Å
213	R	78.4	Confident	91.4	Very high	156 Å²	156	60.5 Å²	60.5	59%	0.589	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.6	-177.3	-173.1	172.6	176.1	174.1	2.6	114	G378	R213-G378 PolarHBondContact NH1-O 2.87Å
214	Y	82.8	Confident	91.4	Very high	16 Å²	16	65.6 Å²	65.6	6%	0.063	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-9.2	-172.2	-51.6	-59.5	0	0	0	114.9	G212 F232 N236 N239 L354	G212-Y214 PolarHBondContact O-N 3.27Å; G212-Y214 VanDerWaalsContact O-N 3.08Å; Y214-F232 VanDerWaalsContact O-CD1 3.3Å; Y214-F232 WeakPolarHBondContact O-CD1 3.49Å; Y214-N236 WeakPolarHBondContact O-CB 3.32Å; Y214-N236 VanDerWaalsContact O-CG 3.31Å; Y214-N236 PolarHBondContact O-ND2 2.84Å; Y214-N239 HydrophobicContact CD1-CB 4.08Å; Y214-N239 VanDerWaalsContact CD1-CG 3.45Å; Y214-N239 WeakPolarHBondContact CD1-ND2 3.45Å; Y214-N239 HydrophobicContact CG-CB 4Å; Y214-L354 HydrophobicContact CE2-CD1 4.49Å; Y214-L354 HydrophobicContact CE2-CG 4.23Å; Y214-L354 WeakPolarHBondContact OH-CD1 3.25Å; Y214-L354 WeakPolarHBondContact OH-CD2 3.36Å; Y214-L354 WeakPolarHBondContact OH-CG 3.26Å
215	G	89.3	Confident	91.4	Very high	16 Å²	16	69.6 Å²	69.6	17%	0.165	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.8	176	-172.7	0	0	0	0	0	114.5	G212 V231	G212-G215 PolarHBondContact N-O 3.42Å; G212-G215 PolarHBondContact O-N 3.32Å; G215-V231 CarbonylContact C-O 3.6Å; G215-V231 WeakPolarHBondContact CA-O 3.29Å
216	A	94.3	Very high	91.5	Very high	16 Å²	16	71 Å²	71	13%	0.132	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.4	176.7	0	0	0	0	0	110.3	L208 R211 Y218 V231	L208-A216 HydrophobicContact CD1-CB 3.89Å; R211-A216 HydrophobicContact CG-CB 4.34Å; A216-Y218 HydrophobicContact CB-CD2 4.35Å; A216-Y218 HydrophobicContact CB-CE2 3.6Å; A216-V231 PolarHBondContact N-O 2.92Å; A216-V231 PolarHBondContact O-N 2.97Å
217	V	95.8	Very high	91.6	Very high	39 Å²	39	65.9 Å²	65.9	24%	0.236	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.5	177	-171.3	0	0	0	0	108.8	I209 G210 K230	I209-V217 WeakPolarHBondContact CA-O 3.49Å; I209-V217 WeakPolarHBondContact CB-O 3.43Å; I209-V217 HydrophobicContact CD1-CG1 4.21Å; I209-V217 PolarHBondContact N-O 3.49Å; G210-V217 PolarHBondContact N-O 3.5Å; G210-V217 PolarHBondContact O-N 3.15Å; V217-K230 HydrophobicContact CG2-CB 4.34Å; V217-K230 HydrophobicContact CG2-CG 4.06Å
218	Y	96.4	Very high	91.7	Very high	67 Å²	67	61.8 Å²	61.8	26%	0.263	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	149.1	175.8	-63.2	-92.6	0	0	0	110.7	L205 E207 L208 A216 A228 V229 V231	L205-Y218 HydrophobicContact CD1-CD2 4.16Å; L205-Y218 HydrophobicContact CD1-CE2 4.44Å; L205-Y218 HydrophobicContact CD1-CG 4.27Å; E207-Y218 CarbonylContact O-C 3.48Å; E207-Y218 VanDerWaalsContact O-CA 3.23Å; E207-Y218 WeakPolarHBondContact O-CA 3.44Å; L208-Y218 HydrophobicContact CB-CD1 4.08Å; L208-Y218 HydrophobicContact CB-CE1 3.94Å; L208-Y218 HydrophobicContact CD1-CD1 4.12Å; L208-Y218 HydrophobicContact CD1-CE1 3.79Å; L208-Y218 HydrophobicContact CD1-CE2 4.33Å; L208-Y218 HydrophobicContact CG-CE1 4.42Å; A216-Y218 HydrophobicContact CB-CD2 4.35Å; A216-Y218 HydrophobicContact CB-CE2 3.6Å; Y218-A228 CarbonylContact O-C 3.59Å; Y218-A228 WeakPolarHBondContact O-CA 3.49Å; Y218-V229 PolarHBondContact N-O 2.98Å; Y218-V229 PolarHBondContact O-N 3.5Å; Y218-V231 HydrophobicContact CD2-CB 4.38Å; Y218-V231 HydrophobicContact CD2-CG2 3.77Å; Y218-V231 HydrophobicContact CE2-CB 4.15Å; Y218-V231 HydrophobicContact CE2-CG2 3.92Å
219	K	97.1	Very high	91.8	Very high	58 Å²	58	58.1 Å²	58.1	25%	0.252	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	131	155.9	-172.6	-179.7	177.3	178.5	0	107	L206 E207 I209 Y281	L206-K219 WeakPolarHBondContact CA-O 3.24Å; L206-K219 WeakPolarHBondContact CB-O 3.33Å; L206-K219 PolarHBondContact N-O 3.36Å; E207-K219 HydrophobicContact CB-CB 4.05Å; E207-K219 HydrophobicContact CB-CD 4.25Å; E207-K219 PolarHBondContact N-O 3.4Å; E207-K219 PolarHBondContact O-N 3.46Å; E207-K219 WeakPolarHBondContact OE2-CD 3.24Å; E207-K219 IonicContact OE2-NZ 2.91Å; E207-K219 PolarHBondContact OE2-NZ 3.03Å; I209-K219 HydrophobicContact CD1-CB 3.88Å; I209-K219 VanDerWaalsContact CD1-N 3.35Å; I209-K219 HydrophobicContact CG1-CB 3.96Å; K219-Y281 HydrophobicContact CB-CE2 4.23Å; K219-Y281 HydrophobicContact CD-CE1 4.42Å; K219-Y281 HydrophobicContact CD-CE2 4.07Å; K219-Y281 HydrophobicContact CG-CD2 4.13Å; K219-Y281 HydrophobicContact CG-CE2 3.86Å
220	G	96.2	Very high	92	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	174.9	175.4	0	0	0	0	0	112.2	K204 P226 V227	K204-G220 CarbonylContact O-C 3.42Å; K204-G220 WeakPolarHBondContact O-CA 3.43Å; G220-P226 WeakPolarHBondContact O-CA 3.47Å; G220-V227 PolarHBondContact N-O 2.85Å; G220-V227 PolarHBondContact O-N 2.68Å
221	S	95.4	Very high	92.3	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.5	167.4	179.6	0	0	0	0	108.4	L203 K204 E224 R225	L203-S221 WeakPolarHBondContact CA-O 3.38Å; K204-S221 PolarHBondContact N-O 3.11Å; K204-S221 PolarHBondContact O-N 2.93Å; S221-E224 VanDerWaalsContact OG-CA 3.26Å; S221-E224 WeakPolarHBondContact OG-CA 3.26Å; S221-E224 PolarHBondContact OG-OE2 2.91Å; S221-E224 VanDerWaalsContact OG-OE2 3.13Å; S221-R225 WeakPolarHBondContact CA-O 3.12Å
222	L	93.6	Very high	92.6	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.2	172.2	179.8	63.4	0	0	0	107.1	N202 L203 E224 R225 V227 I261 V278	N202-L222 HydrophobicContact CB-CD1 4.49Å; L203-L222 HydrophobicContact CB-CD1 4.21Å; L203-L222 HydrophobicContact CD1-CB 3.93Å; L203-L222 HydrophobicContact CD1-CD1 4.3Å; L222-E224 PolarHBondContact O-N 2.87Å; L222-R225 PolarHBondContact N-O 2.85Å; L222-R225 VanDerWaalsContact O-CB 3.31Å; L222-R225 WeakPolarHBondContact O-CB 3.33Å; L222-R225 PolarHBondContact O-N 3Å; L222-V227 HydrophobicContact CB-CG1 4.02Å; L222-V227 HydrophobicContact CB-CG2 4.04Å; L222-I261 HydrophobicContact CD2-CG2 4.39Å; L222-V278 HydrophobicContact CD2-CG1 4.4Å
223	D	90.8	Very high	93.3	Very high	75 Å²	75	45.1 Å²	45.1	40%	0.401	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	42.6	-171.9	-54.8	-37.6	0	0	0	113.4	N202 R225	N202-D223 PolarHBondContact ND2-OD1 2.88Å; D223-R225 PolarHBondContact O-N 2.81Å
224	E	90.3	Very high	93.9	Very high	135 Å²	135	44.5 Å²	44.5	63%	0.631	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	18.4	-173.8	-54.2	-50.3	148.9	0	0	116	K204 S221 L222	K204-E224 IonicContact NZ-OE1 2.77Å; K204-E224 PolarHBondContact NZ-OE1 2.7Å; S221-E224 VanDerWaalsContact OG-CA 3.26Å; S221-E224 WeakPolarHBondContact OG-CA 3.26Å; S221-E224 PolarHBondContact OG-OE2 2.91Å; S221-E224 VanDerWaalsContact OG-OE2 3.13Å; L222-E224 PolarHBondContact O-N 2.87Å
225	R	93.1	Very high	94.2	Very high	181 Å²	181	48 Å²	48	68%	0.683	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	135.2	170.9	-56.9	175.3	179.9	170.9	0.7	110.6	S221 L222 D223 V227	S221-R225 WeakPolarHBondContact CA-O 3.12Å; L222-R225 PolarHBondContact N-O 2.85Å; L222-R225 VanDerWaalsContact O-CB 3.31Å; L222-R225 WeakPolarHBondContact O-CB 3.33Å; L222-R225 PolarHBondContact O-N 3Å; D223-R225 PolarHBondContact O-N 2.81Å; R225-V227 PolarHBondContact O-N 3.17Å
226	P	95.9	Very high	94.3	Very high	83 Å²	83	49 Å²	49	54%	0.539	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	128.2	177.4	29.1	-34.3	0	0	0	111	G220 Y281	G220-P226 WeakPolarHBondContact O-CA 3.47Å; P226-Y281 HydrophobicContact CB-CD1 3.99Å; P226-Y281 HydrophobicContact CB-CG 4.35Å
227	V	97.2	Very high	94.3	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.024	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.9	179.5	-68.3	0	0	0	0	111.2	L203 G220 L222 R225 V229 I261 V278 M279	L203-V227 HydrophobicContact CD1-CG2 3.84Å; G220-V227 PolarHBondContact N-O 2.85Å; G220-V227 PolarHBondContact O-N 2.68Å; L222-V227 HydrophobicContact CB-CG1 4.02Å; L222-V227 HydrophobicContact CB-CG2 4.04Å; R225-V227 PolarHBondContact O-N 3.17Å; V227-V229 HydrophobicContact CG2-CG2 3.95Å; V227-I261 HydrophobicContact CG1-CD1 3.73Å; V227-V278 HydrophobicContact CB-CG1 3.9Å; V227-V278 HydrophobicContact CG1-CG1 4.12Å; V227-V278 HydrophobicContact CG2-CG1 4.09Å; V227-M279 CarbonylContact C-O 3.5Å; V227-M279 WeakPolarHBondContact CA-O 3.48Å; V227-M279 WeakPolarHBondContact CB-O 3.34Å
228	A	97.4	Very high	94	Very high	12 Å²	12	57 Å²	57	10%	0.099	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.9	166.3	0	0	0	0	0	108.6	Y218 V278 M279	Y218-A228 CarbonylContact O-C 3.59Å; Y218-A228 WeakPolarHBondContact O-CA 3.49Å; A228-V278 WeakPolarHBondContact O-CA 3.37Å; A228-M279 HydrophobicContact CB-CB 4.45Å; A228-M279 PolarHBondContact N-O 3.25Å; A228-M279 PolarHBondContact O-N 3.27Å
229	V	96.7	Very high	93.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	106.7	-179.4	-169.7	0	0	0	0	109.3	L203 L205 Y218 V227 V231 L276 L277 V278	L203-V229 HydrophobicContact CD1-CG2 3.97Å; L203-V229 HydrophobicContact CD2-CG1 4.27Å; L203-V229 HydrophobicContact CD2-CG2 4.24Å; L205-V229 HydrophobicContact CD2-CB 3.72Å; L205-V229 HydrophobicContact CD2-CG1 3.83Å; L205-V229 HydrophobicContact CD2-CG2 3.83Å; Y218-V229 PolarHBondContact N-O 2.98Å; Y218-V229 PolarHBondContact O-N 3.5Å; V227-V229 HydrophobicContact CG2-CG2 3.95Å; V229-V231 HydrophobicContact CG1-CG2 4.07Å; V229-L276 HydrophobicContact CG1-CB 4.12Å; V229-L276 HydrophobicContact CG1-CD2 4.09Å; V229-L276 HydrophobicContact CG1-CG 4.44Å; V229-L277 WeakPolarHBondContact CA-O 3.34Å; V229-V278 HydrophobicContact CG1-CG2 4.29Å; V229-V278 HydrophobicContact CG2-CG1 4.48Å; V229-V278 HydrophobicContact CG2-CG2 4.42Å
230	K	96.3	Very high	93.7	Very high	7 Å²	7	52.5 Å²	52.5	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.1	175.8	-171.7	176.9	-176.5	-167.7	0	108.6	V217 F232 E243 L276 L277 M279 D351	V217-K230 HydrophobicContact CG2-CB 4.34Å; V217-K230 HydrophobicContact CG2-CG 4.06Å; K230-F232 HydrophobicContact CB-CE2 4.04Å; K230-F232 HydrophobicContact CB-CZ 4.45Å; K230-F232 HydrophobicContact CD-CE1 4.24Å; K230-F232 HydrophobicContact CD-CE2 3.93Å; K230-F232 HydrophobicContact CD-CZ 3.48Å; K230-F232 VanDerWaalsContact CD-CZ 3.48Å; K230-F232 HydrophobicContact CG-CD2 4.38Å; K230-F232 HydrophobicContact CG-CE1 4.41Å; K230-F232 HydrophobicContact CG-CE2 3.63Å; K230-F232 HydrophobicContact CG-CZ 3.67Å; K230-F232 WeakPolarHBondContact O-CD2 3.4Å; K230-F232 WeakPolarHBondContact O-CE2 3.19Å; K230-E243 IonicContact NZ-OE1 2.67Å; K230-E243 PolarHBondContact NZ-OE1 3.44Å; K230-E243 IonicContact NZ-OE2 3.78Å; K230-E243 PolarHBondContact NZ-OE2 3.1Å; K230-L276 WeakPolarHBondContact O-CA 3.37Å; K230-L277 HydrophobicContact CB-CB 4.28Å; K230-L277 PolarHBondContact N-O 3.4Å; K230-L277 PolarHBondContact O-N 3.17Å; K230-M279 HydrophobicContact CB-CE 4.14Å; K230-M279 HydrophobicContact CD-CE 4.49Å; K230-D351 WeakPolarHBondContact CE-OD2 3.35Å; K230-D351 IonicContact NZ-OD1 2.74Å; K230-D351 PolarHBondContact NZ-OD1 3.19Å; K230-D351 IonicContact NZ-OD2 3.94Å; K230-D351 PolarHBondContact NZ-OD2 2.63Å
231	V	95.3	Very high	93.6	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.1	-176.8	-177.6	0	0	0	0	109.5	L205 G215 A216 Y218 V229 E274 Y275	L205-V231 HydrophobicContact CD1-CG2 4.28Å; G215-V231 CarbonylContact C-O 3.6Å; G215-V231 WeakPolarHBondContact CA-O 3.29Å; A216-V231 PolarHBondContact N-O 2.92Å; A216-V231 PolarHBondContact O-N 2.97Å; Y218-V231 HydrophobicContact CD2-CB 4.38Å; Y218-V231 HydrophobicContact CD2-CG2 3.77Å; Y218-V231 HydrophobicContact CE2-CB 4.15Å; Y218-V231 HydrophobicContact CE2-CG2 3.92Å; V229-V231 HydrophobicContact CG1-CG2 4.07Å; V231-E274 HydrophobicContact CG1-CB 4.06Å; V231-E274 HydrophobicContact CG1-CG 4.29Å; V231-Y275 CarbonylContact C-O 3.5Å; V231-Y275 WeakPolarHBondContact CA-O 3.42Å
232	F	95.1	Very high	93.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.7	-180	-51.2	-113.1	0	0	0	110	Y214 K230 N236 N239 F240 E243 E274 Y275 L277	Y214-F232 VanDerWaalsContact O-CD1 3.3Å; Y214-F232 WeakPolarHBondContact O-CD1 3.49Å; K230-F232 HydrophobicContact CB-CE2 4.04Å; K230-F232 HydrophobicContact CB-CZ 4.45Å; K230-F232 HydrophobicContact CD-CE1 4.24Å; K230-F232 HydrophobicContact CD-CE2 3.93Å; K230-F232 HydrophobicContact CD-CZ 3.48Å; K230-F232 VanDerWaalsContact CD-CZ 3.48Å; K230-F232 HydrophobicContact CG-CD2 4.38Å; K230-F232 HydrophobicContact CG-CE1 4.41Å; K230-F232 HydrophobicContact CG-CE2 3.63Å; K230-F232 HydrophobicContact CG-CZ 3.67Å; K230-F232 WeakPolarHBondContact O-CD2 3.4Å; K230-F232 WeakPolarHBondContact O-CE2 3.19Å; F232-N236 HydrophobicContact CB-CB 4.21Å; F232-N236 HydrophobicContact CD1-CB 4.23Å; F232-N239 HydrophobicContact CE1-CB 4.34Å; F232-F240 HydrophobicContact CB-CB 4.34Å; F232-F240 HydrophobicContact CD1-CB 4.02Å; F232-F240 HydrophobicContact CD2-CB 3.83Å; F232-F240 AromaticContact CD2-CD2 3.93Å; F232-F240 HydrophobicContact CD2-CD2 3.93Å; F232-F240 HydrophobicContact CD2-CG 4.27Å; F232-F240 HydrophobicContact CE1-CB 4.19Å; F232-F240 HydrophobicContact CE2-CB 4.04Å; F232-F240 AromaticContact CE2-CD2 3.82Å; F232-F240 HydrophobicContact CE2-CD2 3.82Å; F232-F240 HydrophobicContact CE2-CG 4.42Å; F232-F240 HydrophobicContact CG-CB 3.83Å; F232-F240 HydrophobicContact CZ-CB 4.19Å; F232-E243 VanDerWaalsContact CZ-OE2 3.25Å; F232-E243 WeakPolarHBondContact CZ-OE2 3.46Å; F232-E274 WeakPolarHBondContact O-CA 3.23Å; F232-Y275 PolarHBondContact N-O 3.34Å; F232-Y275 PolarHBondContact O-N 2.91Å; F232-L277 HydrophobicContact CE2-CB 3.91Å
233	S	92.6	Very high	93.6	Very high	56 Å²	56	55.5 Å²	55.5	39%	0.392	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	161	167.5	62.1	0	0	0	0	111.2	A235 N236 R237	S233-A235 PolarHBondContact O-N 3.01Å; S233-A235 VanDerWaalsContact O-N 3.12Å; S233-N236 PolarHBondContact O-N 3.4Å; S233-R237 PolarHBondContact O-N 3.21Å
234	F	90.3	Very high	93.9	Very high	143 Å²	143	53.6 Å²	53.6	63%	0.627	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-49	-37.5	174.8	-177.2	-97	0	0	0	114.4	N236 R237 Y275	F234-N236 PolarHBondContact O-N 2.82Å; F234-R237 VanDerWaalsContact O-CB 3.25Å; F234-R237 WeakPolarHBondContact O-CB 3.4Å; F234-R237 PolarHBondContact O-N 3.05Å; F234-Y275 HydrophobicContact CD2-CE2 4.32Å
235	A	90.3	Very high	94.1	Very high	89 Å²	89	50.6 Å²	50.6	74%	0.736	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-60.9	-28.7	176.4	0	0	0	0	0	113.5	S233	S233-A235 PolarHBondContact O-N 3.01Å; S233-A235 VanDerWaalsContact O-N 3.12Å
236	N	91.2	Very high	94.3	Very high	36 Å²	36	42 Å²	42	19%	0.193	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-100.2	12.4	-179.4	-76	-46.8	0	0	0	113.8	Y214 F232 S233 F234 Q238 N239 F240	Y214-N236 WeakPolarHBondContact O-CB 3.32Å; Y214-N236 VanDerWaalsContact O-CG 3.31Å; Y214-N236 PolarHBondContact O-ND2 2.84Å; F232-N236 HydrophobicContact CB-CB 4.21Å; F232-N236 HydrophobicContact CD1-CB 4.23Å; S233-N236 PolarHBondContact O-N 3.4Å; F234-N236 PolarHBondContact O-N 2.82Å; N236-Q238 PolarHBondContact O-N 3.04Å; N236-Q238 VanDerWaalsContact O-N 3.11Å; N236-N239 WeakPolarHBondContact O-CB 3.44Å; N236-N239 PolarHBondContact O-N 3.13Å; N236-N239 PolarHBondContact OD1-ND2 3.26Å; N236-F240 PolarHBondContact O-N 3.01Å
237	R	93.1	Very high	94.3	Very high	95 Å²	95	38.8 Å²	38.8	36%	0.358	21%	0.205	S	C	.	.	H	α-helix	trans	-48.3	-39.6	178.7	-179.6	177.7	-164.4	-93.4	-9.1	113.6	S233 F234 N239 F240 I241 E265 Y275	S233-R237 PolarHBondContact O-N 3.21Å; F234-R237 VanDerWaalsContact O-CB 3.25Å; F234-R237 WeakPolarHBondContact O-CB 3.4Å; F234-R237 PolarHBondContact O-N 3.05Å; R237-N239 PolarHBondContact O-N 3.09Å; R237-F240 PolarHBondContact O-N 3.15Å; R237-I241 HydrophobicContact CG-CD1 3.82Å; R237-I241 HydrophobicContact CG-CG1 4.45Å; R237-I241 WeakPolarHBondContact O-CG1 3.43Å; R237-I241 PolarHBondContact O-N 3.23Å; R237-E265 IonicContact NH2-OE1 2.76Å; R237-Y275 HydrophobicContact CB-CD2 4.36Å; R237-Y275 HydrophobicContact CB-CE2 3.97Å; R237-Y275 VanDerWaalsContact CD-OH 3.3Å; R237-Y275 WeakPolarHBondContact CD-OH 3.39Å; R237-Y275 HydrophobicContact CG-CD1 4.35Å; R237-Y275 HydrophobicContact CG-CE1 3.76Å; R237-Y275 HydrophobicContact CG-CE2 4.02Å; R237-Y275 PolarHBondContact NE-OH 2.89Å; R237-Y275 VanDerWaalsContact NE-OH 3.16Å
238	Q	90.6	Very high	94.2	Very high	129 Å²	129	45.4 Å²	45.4	60%	0.603	23%	0.229	S	C	*	.	H	α-helix	trans	-68.2	-34.6	-178.3	-171.3	58.2	26.9	0	0	112.8	N236 I241 N242	N236-Q238 PolarHBondContact O-N 3.04Å; N236-Q238 VanDerWaalsContact O-N 3.11Å; Q238-I241 PolarHBondContact O-N 2.94Å; Q238-N242 PolarHBondContact O-N 3.47Å
239	N	91.8	Very high	94.1	Very high	30 Å²	30	45.1 Å²	45.1	16%	0.16	23%	0.226	C	C	.	.	H	α-helix	trans	-68.2	-44.4	176	-58.6	-62.8	0	0	0	110.5	Y214 F232 N236 R237 I241 N242 E243	Y214-N239 HydrophobicContact CD1-CB 4.08Å; Y214-N239 VanDerWaalsContact CD1-CG 3.45Å; Y214-N239 WeakPolarHBondContact CD1-ND2 3.45Å; Y214-N239 HydrophobicContact CG-CB 4Å; F232-N239 HydrophobicContact CE1-CB 4.34Å; N236-N239 WeakPolarHBondContact O-CB 3.44Å; N236-N239 PolarHBondContact O-N 3.13Å; N236-N239 PolarHBondContact OD1-ND2 3.26Å; R237-N239 PolarHBondContact O-N 3.09Å; N239-I241 PolarHBondContact O-N 3.31Å; N239-N242 PolarHBondContact O-N 3.38Å; N239-E243 WeakPolarHBondContact O-CB 3.39Å; N239-E243 PolarHBondContact O-N 3.5Å
240	F	94.9	Very high	93.9	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-56.1	-47.2	172	165.2	-105.6	0	0	0	112.3	F232 N236 R237 N242 E243 K244 Y275 L276 L277	F232-F240 HydrophobicContact CB-CB 4.34Å; F232-F240 HydrophobicContact CD1-CB 4.02Å; F232-F240 HydrophobicContact CD2-CB 3.83Å; F232-F240 AromaticContact CD2-CD2 3.93Å; F232-F240 HydrophobicContact CD2-CD2 3.93Å; F232-F240 HydrophobicContact CD2-CG 4.27Å; F232-F240 HydrophobicContact CE1-CB 4.19Å; F232-F240 HydrophobicContact CE2-CB 4.04Å; F232-F240 AromaticContact CE2-CD2 3.82Å; F232-F240 HydrophobicContact CE2-CD2 3.82Å; F232-F240 HydrophobicContact CE2-CG 4.42Å; F232-F240 HydrophobicContact CG-CB 3.83Å; F232-F240 HydrophobicContact CZ-CB 4.19Å; N236-F240 PolarHBondContact O-N 3.01Å; R237-F240 PolarHBondContact O-N 3.15Å; F240-N242 PolarHBondContact O-N 2.93Å; F240-E243 PolarHBondContact O-N 2.92Å; F240-K244 HydrophobicContact CE1-CD 3.92Å; F240-K244 HydrophobicContact CE2-CB 4.45Å; F240-K244 HydrophobicContact CE2-CD 4.08Å; F240-K244 HydrophobicContact CZ-CD 3.51Å; F240-K244 WeakPolarHBondContact O-CB 3.3Å; F240-K244 PolarHBondContact O-N 3.25Å; F240-Y275 AromaticContact CD1-CD1 3.44Å; F240-Y275 HydrophobicContact CD1-CD1 3.44Å; F240-Y275 VanDerWaalsContact CD1-CD1 3.44Å; F240-Y275 HydrophobicContact CD1-CE1 4.47Å; F240-Y275 AromaticContact CD1-CG 3.76Å; F240-Y275 HydrophobicContact CD1-CG 3.76Å; F240-Y275 AromaticContact CE1-CD1 3.53Å; F240-Y275 HydrophobicContact CE1-CD1 3.53Å; F240-Y275 HydrophobicContact CE1-CG 4.13Å; F240-Y275 HydrophobicContact CG-CD1 4.29Å; F240-Y275 HydrophobicContact CG-CG 4.16Å; F240-Y275 HydrophobicContact CZ-CD1 4.42Å; F240-L276 VanDerWaalsContact CE2-O 3.29Å; F240-L276 WeakPolarHBondContact CE2-O 3.29Å; F240-L277 HydrophobicContact CD2-CB 4.3Å; F240-L277 HydrophobicContact CD2-CD1 4.2Å; F240-L277 HydrophobicContact CE2-CB 4.3Å; F240-L277 HydrophobicContact CE2-CD1 3.95Å
241	I	93.7	Very high	93.9	Very high	35 Å²	35	49.4 Å²	49.4	18%	0.179	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-43.6	178.7	-72.3	170.4	0	0	0	110.8	R237 Q238 N239 N245	R237-I241 HydrophobicContact CG-CD1 3.82Å; R237-I241 HydrophobicContact CG-CG1 4.45Å; R237-I241 WeakPolarHBondContact O-CG1 3.43Å; R237-I241 PolarHBondContact O-N 3.23Å; Q238-I241 PolarHBondContact O-N 2.94Å; N239-I241 PolarHBondContact O-N 3.31Å; I241-N245 WeakPolarHBondContact CG2-ND2 3.35Å; I241-N245 WeakPolarHBondContact O-CB 3.42Å; I241-N245 PolarHBondContact O-N 2.8Å; I241-N245 PolarHBondContact O-ND2 2.9Å; I241-N245 VanDerWaalsContact O-ND2 3.16Å
242	N	94	Very high	93.9	Very high	46 Å²	46	49.5 Å²	49.5	25%	0.246	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-49.9	177.9	-167	44.4	0	0	0	111.2	Q238 N239 F240 K244 N245 I246 F352 G353 S355	Q238-N242 PolarHBondContact O-N 3.47Å; N239-N242 PolarHBondContact O-N 3.38Å; F240-N242 PolarHBondContact O-N 2.93Å; N242-K244 PolarHBondContact O-N 3.34Å; N242-N245 CarbonylContact O-C 3.52Å; N242-N245 WeakPolarHBondContact O-CA 3.25Å; N242-N245 WeakPolarHBondContact O-CB 3.45Å; N242-N245 PolarHBondContact O-N 3.01Å; N242-N245 VanDerWaalsContact O-N 3.08Å; N242-I246 WeakPolarHBondContact O-CG1 3.14Å; N242-I246 PolarHBondContact O-N 2.99Å; N242-F352 PolarHBondContact ND2-O 3.38Å; N242-G353 PolarHBondContact ND2-O 3.5Å; N242-S355 PolarHBondContact ND2-O 3.08Å
243	E	95.9	Very high	93.9	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-46.8	-178.8	-162.4	169.5	172.9	0	0	112.3	K230 F232 N239 F240 N245 I246 Y247 L277 F352	K230-E243 IonicContact NZ-OE1 2.67Å; K230-E243 PolarHBondContact NZ-OE1 3.44Å; K230-E243 IonicContact NZ-OE2 3.78Å; K230-E243 PolarHBondContact NZ-OE2 3.1Å; F232-E243 VanDerWaalsContact CZ-OE2 3.25Å; F232-E243 WeakPolarHBondContact CZ-OE2 3.46Å; N239-E243 WeakPolarHBondContact O-CB 3.39Å; N239-E243 PolarHBondContact O-N 3.5Å; F240-E243 PolarHBondContact O-N 2.92Å; E243-N245 VanDerWaalsContact C-N 3.28Å; E243-N245 PolarHBondContact O-N 2.71Å; E243-I246 PolarHBondContact O-N 3.1Å; E243-Y247 HydrophobicContact CG-CD2 4.06Å; E243-Y247 HydrophobicContact CG-CE2 3.86Å; E243-Y247 VanDerWaalsContact O-CD2 3.29Å; E243-Y247 WeakPolarHBondContact O-CD2 3.36Å; E243-Y247 PolarHBondContact O-N 3.24Å; E243-L277 HydrophobicContact CB-CD2 4.29Å; E243-L277 HydrophobicContact CG-CD2 3.59Å; E243-F352 HydrophobicContact CG-CB 4.02Å
244	K	96	Very high	94.1	Very high	34 Å²	34	56.5 Å²	56.5	15%	0.148	28%	0.279	C	S	.	.	H	α-helix	trans	-58.3	-37.9	172.3	177.6	171.9	167.2	175.1	0	111.9	F240 N242 R248 G263 L277	F240-K244 HydrophobicContact CE1-CD 3.92Å; F240-K244 HydrophobicContact CE2-CB 4.45Å; F240-K244 HydrophobicContact CE2-CD 4.08Å; F240-K244 HydrophobicContact CZ-CD 3.51Å; F240-K244 WeakPolarHBondContact O-CB 3.3Å; F240-K244 PolarHBondContact O-N 3.25Å; N242-K244 PolarHBondContact O-N 3.34Å; K244-R248 WeakPolarHBondContact O-CB 3.49Å; K244-R248 VanDerWaalsContact O-CG 3.23Å; K244-R248 WeakPolarHBondContact O-CG 3.21Å; K244-R248 PolarHBondContact O-N 3.49Å; K244-G263 WeakPolarHBondContact CE-O 3.36Å; K244-G263 PolarHBondContact NZ-O 3.42Å; K244-L277 HydrophobicContact CB-CD1 3.89Å
245	N	95.2	Very high	94.5	Very high	72 Å²	72	54 Å²	54	39%	0.385	27%	0.272	S	S	.	.	H	α-helix	trans	-75.9	-33.1	177.4	-74.1	-19.2	0	0	0	113.1	I241 N242 E243 V249 R357	I241-N245 WeakPolarHBondContact CG2-ND2 3.35Å; I241-N245 WeakPolarHBondContact O-CB 3.42Å; I241-N245 PolarHBondContact O-N 2.8Å; I241-N245 PolarHBondContact O-ND2 2.9Å; I241-N245 VanDerWaalsContact O-ND2 3.16Å; N242-N245 CarbonylContact O-C 3.52Å; N242-N245 WeakPolarHBondContact O-CA 3.25Å; N242-N245 WeakPolarHBondContact O-CB 3.45Å; N242-N245 PolarHBondContact O-N 3.01Å; N242-N245 VanDerWaalsContact O-N 3.08Å; E243-N245 VanDerWaalsContact C-N 3.28Å; E243-N245 PolarHBondContact O-N 2.71Å; N245-V249 PolarHBondContact O-N 3.13Å; N245-R357 PolarHBondContact O-NH2 2.86Å
246	I	96.1	Very high	94.9	Very high	1 Å²	1	50 Å²	50	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-68.4	-48.3	174.8	-67.9	-70.1	0	0	0	109.6	N242 E243 R248 V249 M252 I329 F352 R357	N242-I246 WeakPolarHBondContact O-CG1 3.14Å; N242-I246 PolarHBondContact O-N 2.99Å; E243-I246 PolarHBondContact O-N 3.1Å; I246-R248 PolarHBondContact O-N 3.46Å; I246-V249 WeakPolarHBondContact O-CB 3.46Å; I246-V249 WeakPolarHBondContact O-CG2 3.09Å; I246-V249 PolarHBondContact O-N 3.04Å; I246-V249 VanDerWaalsContact O-N 3.08Å; I246-M252 HydrophobicContact CG2-CE 3.88Å; I246-M252 WeakPolarHBondContact O-CG 3.22Å; I246-I329 HydrophobicContact CD1-CG2 4.3Å; I246-I329 HydrophobicContact CG2-CD1 4.38Å; I246-I329 HydrophobicContact CG2-CG2 4.44Å; I246-F352 HydrophobicContact CB-CB 3.88Å; I246-F352 HydrophobicContact CB-CG 4.47Å; I246-F352 HydrophobicContact CG1-CB 4.39Å; I246-F352 HydrophobicContact CG2-CB 3.62Å; I246-F352 HydrophobicContact CG2-CD1 3.7Å; I246-F352 HydrophobicContact CG2-CG 3.71Å; I246-R357 HydrophobicContact CD1-CG 3.73Å
247	Y	97.5	Very high	95.2	Very high	15 Å²	15	48.7 Å²	48.7	6%	0.059	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-31.2	175.2	-81.5	-58.3	0	0	0	113.9	E243 V249 I257 A258 F260 L277 M279 F352	E243-Y247 HydrophobicContact CG-CD2 4.06Å; E243-Y247 HydrophobicContact CG-CE2 3.86Å; E243-Y247 VanDerWaalsContact O-CD2 3.29Å; E243-Y247 WeakPolarHBondContact O-CD2 3.36Å; E243-Y247 PolarHBondContact O-N 3.24Å; Y247-V249 VanDerWaalsContact C-N 3.34Å; Y247-I257 HydrophobicContact CE1-CG2 4.34Å; Y247-A258 WeakPolarHBondContact CE1-O 3.21Å; Y247-F260 HydrophobicContact CD1-CB 3.68Å; Y247-F260 HydrophobicContact CD1-CG 4.47Å; Y247-F260 HydrophobicContact CD2-CB 4.3Å; Y247-F260 HydrophobicContact CD2-CD2 4.12Å; Y247-F260 HydrophobicContact CD2-CG 4.41Å; Y247-F260 HydrophobicContact CE1-CB 4.25Å; Y247-F260 HydrophobicContact CG-CB 3.7Å; Y247-F260 HydrophobicContact CG-CD2 4.16Å; Y247-F260 AromaticContact CG-CG 4Å; Y247-F260 HydrophobicContact CG-CG 4Å; Y247-L277 HydrophobicContact CD2-CD2 4Å; Y247-L277 HydrophobicContact CE2-CD2 3.79Å; Y247-M279 HydrophobicContact CE2-SD 3.88Å; Y247-M279 PolarHBondContact OH-SD 3.49Å; Y247-F352 HydrophobicContact CD1-CD2 4.25Å; Y247-F352 HydrophobicContact CD1-CE2 4.33Å; Y247-F352 HydrophobicContact CD2-CD2 4.34Å; Y247-F352 AromaticContact CE1-CD2 3.63Å; Y247-F352 HydrophobicContact CE1-CD2 3.63Å; Y247-F352 AromaticContact CE1-CE2 3.5Å; Y247-F352 HydrophobicContact CE1-CE2 3.5Å; Y247-F352 VanDerWaalsContact CE1-CE2 3.5Å; Y247-F352 AromaticContact CE2-CD2 3.74Å; Y247-F352 HydrophobicContact CE2-CD2 3.74Å; Y247-F352 HydrophobicContact CE2-CE2 4.38Å; Y247-F352 AromaticContact CZ-CD2 3.36Å; Y247-F352 AromaticContact CZ-CE2 3.54Å; Y247-F352 WeakPolarHBondContact OH-CE2 3.25Å
248	R	95.4	Very high	95.5	Very high	143 Å²	143	44.2 Å²	44.2	54%	0.54	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	7.9	177	-73.9	177.5	167.5	-150.2	-7	115.1	K244 I246 F260	K244-R248 WeakPolarHBondContact O-CB 3.49Å; K244-R248 VanDerWaalsContact O-CG 3.23Å; K244-R248 WeakPolarHBondContact O-CG 3.21Å; K244-R248 PolarHBondContact O-N 3.49Å; I246-R248 PolarHBondContact O-N 3.46Å; R248-F260 HydrophobicContact CG-CE1 4.11Å
249	V	94	Very high	95.8	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.036	21%	0.206	C	C	.	.	S	Bend	trans	-65.6	136	169.6	167.3	0	0	0	0	109.2	N245 I246 Y247 L251 M252 K326 P327 I329 R357	N245-V249 PolarHBondContact O-N 3.13Å; I246-V249 WeakPolarHBondContact O-CB 3.46Å; I246-V249 WeakPolarHBondContact O-CG2 3.09Å; I246-V249 PolarHBondContact O-N 3.04Å; I246-V249 VanDerWaalsContact O-N 3.08Å; Y247-V249 VanDerWaalsContact C-N 3.34Å; V249-L251 PolarHBondContact O-N 2.86Å; V249-M252 HydrophobicContact CB-CG 3.51Å; V249-M252 HydrophobicContact CB-SD 4.26Å; V249-M252 HydrophobicContact CG1-CG 3.95Å; V249-M252 HydrophobicContact CG1-SD 4.39Å; V249-M252 WeakPolarHBondContact O-CB 3.36Å; V249-M252 WeakPolarHBondContact O-CG 3.33Å; V249-M252 PolarHBondContact O-N 3.21Å; V249-K326 HydrophobicContact CG1-CB 4.34Å; V249-K326 HydrophobicContact CG1-CG 3.86Å; V249-P327 HydrophobicContact CG1-CG 4.41Å; V249-I329 HydrophobicContact CG1-CD1 4.47Å; V249-I329 HydrophobicContact CG2-CD1 4.43Å; V249-R357 HydrophobicContact CG2-CG 4.48Å; V249-R357 VanDerWaalsContact CG2-CZ 3.42Å
250	P	93.3	Very high	96	Very high	56 Å²	56	43.9 Å²	43.9	36%	0.364	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	140.6	174.3	-27.2	35.7	0	0	0	111.8	H324 K326	P250-H324 HydrophobicContact CB-CB 4.1Å; P250-K326 VanDerWaalsContact O-CB 3.31Å; P250-K326 WeakPolarHBondContact O-CB 3.25Å
251	L	94.8	Very high	96	Very high	41 Å²	41	45.9 Å²	45.9	22%	0.215	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	39.2	-178.3	-36.8	167.1	0	0	0	113.4	V249 Y314 L319 R321 H324 K326	V249-L251 PolarHBondContact O-N 2.86Å; L251-Y314 VanDerWaalsContact O-CE1 3.26Å; L251-Y314 WeakPolarHBondContact O-CE1 3.41Å; L251-Y314 PolarHBondContact O-OH 3.49Å; L251-L319 HydrophobicContact CD1-CB 4.2Å; L251-R321 HydrophobicContact CD1-CB 3.74Å; L251-H324 HydrophobicContact CD1-CB 4.29Å; L251-H324 HydrophobicContact CD2-CB 4.22Å; L251-H324 HydrophobicContact CG-CB 4.19Å; L251-K326 HydrophobicContact CB-CB 4.22Å; L251-K326 HydrophobicContact CD1-CB 4.38Å
252	M	95.6	Very high	96	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.049	22%	0.216	C	C	.	.			trans	-89	-15.9	169.9	-78.5	-67.5	-70.5	0	0	114.5	I246 V249 H254 L315 I329	I246-M252 HydrophobicContact CG2-CE 3.88Å; I246-M252 WeakPolarHBondContact O-CG 3.22Å; V249-M252 HydrophobicContact CB-CG 3.51Å; V249-M252 HydrophobicContact CB-SD 4.26Å; V249-M252 HydrophobicContact CG1-CG 3.95Å; V249-M252 HydrophobicContact CG1-SD 4.39Å; V249-M252 WeakPolarHBondContact O-CB 3.36Å; V249-M252 WeakPolarHBondContact O-CG 3.33Å; V249-M252 PolarHBondContact O-N 3.21Å; M252-H254 PolarHBondContact O-N 3.13Å; M252-L315 HydrophobicContact CE-CD2 3.77Å; M252-L315 HydrophobicContact SD-CD2 4.42Å; M252-I329 HydrophobicContact CE-CD1 4.07Å; M252-I329 HydrophobicContact SD-CD1 3.53Å; M252-I329 VanDerWaalsContact SD-CD1 3.53Å
253	E	95.2	Very high	96	Very high	171 Å²	171	43.3 Å²	43.3	80%	0.799	21%	0.205	S	C	*	.			trans	-69	117.1	177.7	-64.1	-168.9	148.3	0	0	111.1	Y314	E253-Y314 PolarHBondContact O-OH 3.14Å
254	H	97.8	Very high	95.8	Very high	32 Å²	32	46.7 Å²	46.7	15%	0.148	22%	0.223	C	C	.	.			trans	-155.8	147.2	-178.6	175.2	-112.1	0	0	0	110.1	M252 N256 I257 R310 Y314	M252-H254 PolarHBondContact O-N 3.13Å; H254-N256 PolarHBondContact ND1-N 3.16Å; H254-N256 PolarHBondContact O-N 2.93Å; H254-I257 HydrophobicContact CB-CB 4.46Å; H254-I257 HydrophobicContact CB-CG1 3.97Å; H254-I257 PolarHBondContact O-N 3.43Å; H254-R310 PolarHBondContact CE1-O 2.83Å; H254-R310 VanDerWaalsContact NE2-CZ 3.28Å; H254-R310 PolarHBondContact NE2-NH1 3.01Å; H254-R310 PolarHBondContact NE2-NH2 2.73Å; H254-Y314 HydrophobicContact CB-CD1 3.65Å; H254-Y314 HydrophobicContact CB-CD2 4.19Å; H254-Y314 HydrophobicContact CB-CE1 3.59Å; H254-Y314 HydrophobicContact CB-CE2 4.11Å; H254-Y314 HydrophobicContact CB-CG 3.95Å; H254-Y314 AromaticContact CD2-CD2 3.6Å; H254-Y314 AromaticContact CD2-CE2 3.85Å; H254-Y314 AromaticContact CD2-CG 3.96Å; H254-Y314 AromaticContact CG-CD1 3.87Å; H254-Y314 AromaticContact CG-CD2 3.74Å; H254-Y314 AromaticContact CG-CG 3.62Å; H254-Y314 AromaticContact ND1-CG 3.78Å
255	D	97.7	Very high	95.6	Very high	91 Å²	91	48.6 Å²	48.6	49%	0.487	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.2	-171.7	-40	-61.3	0	0	0	114.1	R310 K342	D255-R310 IonicContact OD2-CZ 2.77Å; D255-R310 VanDerWaalsContact OD2-CZ 3.24Å; D255-R310 IonicContact OD2-NH1 2.79Å; D255-R310 PolarHBondContact OD2-NH1 3.26Å; D255-R310 IonicContact OD2-NH2 2.8Å; D255-R310 PolarHBondContact OD2-NH2 3.06Å; D255-K342 WeakPolarHBondContact O-CE 3.24Å; D255-K342 PolarHBondContact O-NZ 3.44Å
256	N	98.7	Very high	95.2	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.027	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	20.9	-176.9	-54.6	116	0	0	0	113.5	H254 S307 R310 C347 V348 I349	H254-N256 PolarHBondContact ND1-N 3.16Å; H254-N256 PolarHBondContact O-N 2.93Å; N256-S307 WeakPolarHBondContact CB-O 3.46Å; N256-S307 VanDerWaalsContact CG-O 3.23Å; N256-S307 WeakPolarHBondContact ND2-CB 3.45Å; N256-R310 WeakPolarHBondContact OD1-CD 3.2Å; N256-R310 PolarHBondContact OD1-NH1 3.43Å; N256-C347 PolarHBondContact ND2-O 2.89Å; N256-V348 CarbonylContact O-C 3.59Å; N256-V348 WeakPolarHBondContact O-CA 3.37Å; N256-I349 PolarHBondContact O-N 2.83Å
257	I	98.6	Very high	94.7	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.041	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-119.3	135.4	170.3	-57.5	-60.3	0	0	0	107.6	Y247 H254 R259 Y314 L315 I349 F352	Y247-I257 HydrophobicContact CE1-CG2 4.34Å; H254-I257 HydrophobicContact CB-CB 4.46Å; H254-I257 HydrophobicContact CB-CG1 3.97Å; H254-I257 PolarHBondContact O-N 3.43Å; I257-R259 PolarHBondContact O-N 3.24Å; I257-Y314 HydrophobicContact CG1-CD1 4.47Å; I257-L315 HydrophobicContact CD1-CD1 3.89Å; I257-L315 HydrophobicContact CD1-CD2 3.91Å; I257-L315 HydrophobicContact CD1-CG 3.69Å; I257-I349 HydrophobicContact CD1-CB 4.26Å; I257-F352 HydrophobicContact CD1-CZ 4.34Å; I257-F352 HydrophobicContact CG2-CE2 4.13Å; I257-F352 HydrophobicContact CG2-CZ 3.96Å
258	A	97.9	Very high	94.2	Very high	2 Å²	2	54 Å²	54	2%	0.017	26%	0.261	C	S	.	.			trans	-64.6	129.1	-176	0	0	0	0	0	110.2	Y247 F260 Y282 V348 I349	Y247-A258 WeakPolarHBondContact CE1-O 3.21Å; A258-F260 PolarHBondContact O-N 3.34Å; A258-F260 VanDerWaalsContact O-N 3.15Å; A258-Y282 HydrophobicContact CB-CE2 4.02Å; A258-V348 HydrophobicContact CB-CB 4.3Å; A258-V348 HydrophobicContact CB-CG2 3.84Å; A258-I349 WeakPolarHBondContact CB-O 3.25Å; A258-I349 PolarHBondContact N-O 3.14Å
259	R	97	Very high	93.6	Very high	112 Å²	112	53 Å²	53	42%	0.423	28%	0.284	S	S	.	.			trans	-75	111	-170.3	-170.2	176.8	60.3	75.2	4.8	111.6	I257 M279 E280 Y282	I257-R259 PolarHBondContact O-N 3.24Å; R259-M279 CarbonylContact O-C 3.41Å; R259-M279 WeakPolarHBondContact O-CA 3.21Å; R259-E280 HydrophobicContact CB-CB 4.11Å; R259-E280 IonicContact CZ-OE2 2.75Å; R259-E280 IonicContact NE-OE2 3.58Å; R259-E280 PolarHBondContact NE-OE2 2.86Å; R259-E280 IonicContact NH2-OE2 3.6Å; R259-E280 PolarHBondContact NH2-OE2 2.88Å; R259-E280 PolarHBondContact O-N 2.98Å; R259-Y282 PolarHBondContact N-OH 2.88Å
260	F	96.6	Very high	93.3	Very high	40 Å²	40	57.3 Å²	57.3	18%	0.175	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	150.2	168.4	175.6	-111.6	0	0	0	111.4	Y247 R248 A258 V262 L277	Y247-F260 HydrophobicContact CD1-CB 3.68Å; Y247-F260 HydrophobicContact CD1-CG 4.47Å; Y247-F260 HydrophobicContact CD2-CB 4.3Å; Y247-F260 HydrophobicContact CD2-CD2 4.12Å; Y247-F260 HydrophobicContact CD2-CG 4.41Å; Y247-F260 HydrophobicContact CE1-CB 4.25Å; Y247-F260 HydrophobicContact CG-CB 3.7Å; Y247-F260 HydrophobicContact CG-CD2 4.16Å; Y247-F260 AromaticContact CG-CG 4Å; Y247-F260 HydrophobicContact CG-CG 4Å; R248-F260 HydrophobicContact CG-CE1 4.11Å; A258-F260 PolarHBondContact O-N 3.34Å; A258-F260 VanDerWaalsContact O-N 3.15Å; F260-V262 WeakPolarHBondContact CE2-O 3.43Å; F260-V262 VanDerWaalsContact CZ-C 3.42Å; F260-L277 HydrophobicContact CD2-CD1 4.1Å; F260-L277 HydrophobicContact CD2-CG 4.27Å; F260-L277 HydrophobicContact CE2-CD1 3.57Å; F260-L277 HydrophobicContact CE2-CG 4.14Å
261	I	94.8	Very high	93.1	Very high	42 Å²	42	57.4 Å²	57.4	22%	0.215	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	-62.3	177.4	-58.2	179	0	0	0	109.7	L198 L222 V227 V278	L198-I261 HydrophobicContact CD1-CG2 3.94Å; L222-I261 HydrophobicContact CD2-CG2 4.39Å; V227-I261 HydrophobicContact CG1-CD1 3.73Å; I261-V278 HydrophobicContact CB-CB 4.47Å; I261-V278 HydrophobicContact CB-CG1 4.26Å; I261-V278 WeakPolarHBondContact CB-O 3.44Å; I261-V278 HydrophobicContact CD1-CG1 4.37Å; I261-V278 PolarHBondContact N-O 3Å
262	V	94.1	Very high	92.8	Very high	24 Å²	24	62.5 Å²	62.5	15%	0.145	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	156.5	179.9	63.3	0	0	0	0	109.5	L200 F260 V278	L200-V262 HydrophobicContact CD1-CG1 4.31Å; L200-V262 HydrophobicContact CD1-CG2 4.42Å; L200-V262 HydrophobicContact CD2-CG1 4Å; L200-V262 HydrophobicContact CG-CG1 4.49Å; F260-V262 WeakPolarHBondContact CE2-O 3.43Å; F260-V262 VanDerWaalsContact CZ-C 3.42Å; V262-V278 HydrophobicContact CG1-CB 3.79Å; V262-V278 HydrophobicContact CG1-CG1 4.47Å; V262-V278 HydrophobicContact CG1-CG2 3.85Å; V262-V278 PolarHBondContact N-O 3.19Å; V262-V278 WeakPolarHBondContact O-CA 3.45Å; V262-V278 WeakPolarHBondContact O-CB 3.27Å; V262-V278 PolarHBondContact O-N 3.37Å
263	G	93.9	Very high	92.6	Very high	3 Å²	3	65.1 Å²	65.1	3%	0.031	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	125.7	173.2	0	0	0	0	0	109.9	K244 L276	K244-G263 WeakPolarHBondContact CE-O 3.36Å; K244-G263 PolarHBondContact NZ-O 3.42Å; G263-L276 CarbonylContact C-O 3.58Å; G263-L276 WeakPolarHBondContact CA-O 3.33Å
264	D	91.7	Very high	92.5	Very high	72 Å²	72	58.7 Å²	58.7	39%	0.385	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	172.7	-166.1	-160.1	20.5	0	0	0	113.2	L200 L276	L200-D264 HydrophobicContact CD1-CB 3.6Å; L200-D264 VanDerWaalsContact CD1-OD2 3.27Å; L200-D264 WeakPolarHBondContact CD1-OD2 3.44Å; D264-L276 PolarHBondContact N-O 2.96Å; D264-L276 PolarHBondContact O-N 2.89Å
265	E	91.3	Very high	92.4	Very high	74 Å²	74	57.5 Å²	57.5	35%	0.346	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.1	-177.7	-41.2	-163.8	174.5	0	0	110.4	R237 M273 Y275	R237-E265 IonicContact NH2-OE1 2.76Å; E265-M273 HydrophobicContact CB-SD 3.96Å; E265-Y275 HydrophobicContact CB-CD1 4.25Å; E265-Y275 HydrophobicContact CB-CE1 4.27Å; E265-Y275 HydrophobicContact CG-CD1 3.71Å; E265-Y275 HydrophobicContact CG-CE1 3.76Å; E265-Y275 WeakPolarHBondContact OE1-CE1 3.42Å; E265-Y275 VanDerWaalsContact OE2-CE1 3.25Å; E265-Y275 WeakPolarHBondContact OE2-CE1 3.35Å
266	R	86.9	Confident	92.3	Very high	77 Å²	77	53.6 Å²	53.6	29%	0.291	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.5	175	77.3	179.4	171.7	-163.2	1.5	112.4	T268 E274 L276	R266-T268 HydrophobicContact CG-CG2 4.42Å; R266-E274 HydrophobicContact CG-CB 4Å; R266-E274 IonicContact CZ-OE2 3.77Å; R266-E274 PolarHBondContact N-O 3.46Å; R266-E274 IonicContact NE-OE2 3.53Å; R266-E274 PolarHBondContact NE-OE2 2.8Å; R266-E274 IonicContact NH2-OE2 2.68Å; R266-E274 PolarHBondContact NH2-OE2 3.31Å; R266-E274 PolarHBondContact O-N 2.85Å; R266-L276 HydrophobicContact CB-CD1 3.78Å; R266-L276 HydrophobicContact CG-CD1 3.59Å
267	V	87.1	Confident	92.1	Very high	96 Å²	96	53.3 Å²	53.3	58%	0.582	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.4	161.3	-176.2	0	0	0	0	108.1	R272 M273	V267-R272 WeakPolarHBondContact CA-O 3.31Å; V267-M273 HydrophobicContact CG2-CE 3.72Å; V267-M273 HydrophobicContact CG2-SD 4.14Å
268	T	85.4	Confident	92	Very high	28 Å²	28	53 Å²	53	17%	0.172	29%	0.287	C	S	.	.			trans	-75.4	164.2	175.3	48.8	0	0	0	0	111.4	R266 D270 G271 R272 E274	R266-T268 HydrophobicContact CG-CG2 4.42Å; T268-D270 PolarHBondContact O-N 3.37Å; T268-D270 PolarHBondContact OG1-OD1 3.02Å; T268-G271 PolarHBondContact O-N 3.46Å; T268-R272 PolarHBondContact N-O 2.79Å; T268-R272 WeakPolarHBondContact OG1-CB 3.27Å; T268-R272 PolarHBondContact OG1-N 2.9Å; T268-R272 PolarHBondContact OG1-O 3.24Å; T268-E274 HydrophobicContact CG2-CG 3.95Å; T268-E274 VanDerWaalsContact CG2-OE2 3.28Å; T268-E274 WeakPolarHBondContact CG2-OE2 3.44Å
269	A	83.5	Confident	92	Very high	122 Å²	122	53.7 Å²	53.7	100%	1.008	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.9	-176.8	0	0	0	0	0	114.9
270	D	88.6	Confident	91.9	Very high	97 Å²	97	51.1 Å²	51.1	52%	0.519	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	9.8	172.6	61.2	14.2	0	0	0	113.6	T268 R272	T268-D270 PolarHBondContact O-N 3.37Å; T268-D270 PolarHBondContact OG1-OD1 3.02Å; D270-R272 VanDerWaalsContact CG-NE 3.3Å; D270-R272 PolarHBondContact O-N 3.18Å; D270-R272 WeakPolarHBondContact OD1-CB 3.13Å; D270-R272 WeakPolarHBondContact OD1-CG 3.44Å; D270-R272 PolarHBondContact OD1-N 2.74Å; D270-R272 IonicContact OD1-NE 3.61Å; D270-R272 PolarHBondContact OD1-NE 2.7Å; D270-R272 IonicContact OD1-NH2 2.69Å; D270-R272 IonicContact OD2-CZ 2.76Å; D270-R272 IonicContact OD2-NE 2.73Å; D270-R272 PolarHBondContact OD2-NE 2.78Å; D270-R272 IonicContact OD2-NH2 2.82Å; D270-R272 PolarHBondContact OD2-NH2 2.89Å
271	G	88.2	Confident	92	Very high	58 Å²	58	51.6 Å²	51.6	60%	0.598	28%	0.284	S	S	*	.	S	Bend	trans	82.4	1.8	176.7	0	0	0	0	0	115.4	T268	T268-G271 PolarHBondContact O-N 3.46Å
272	R	89	Confident	92.1	Very high	149 Å²	149	50.3 Å²	50.3	56%	0.562	28%	0.277	S	S	*	.			trans	-78.4	144.2	178.2	-63	-178.2	-68.9	151.1	-1.5	111.5	V267 T268 D270	V267-R272 WeakPolarHBondContact CA-O 3.31Å; T268-R272 PolarHBondContact N-O 2.79Å; T268-R272 WeakPolarHBondContact OG1-CB 3.27Å; T268-R272 PolarHBondContact OG1-N 2.9Å; T268-R272 PolarHBondContact OG1-O 3.24Å; D270-R272 VanDerWaalsContact CG-NE 3.3Å; D270-R272 PolarHBondContact O-N 3.18Å; D270-R272 WeakPolarHBondContact OD1-CB 3.13Å; D270-R272 WeakPolarHBondContact OD1-CG 3.44Å; D270-R272 PolarHBondContact OD1-N 2.74Å; D270-R272 IonicContact OD1-NE 3.61Å; D270-R272 PolarHBondContact OD1-NE 2.7Å; D270-R272 IonicContact OD1-NH2 2.69Å; D270-R272 IonicContact OD2-CZ 2.76Å; D270-R272 IonicContact OD2-NE 2.73Å; D270-R272 PolarHBondContact OD2-NE 2.78Å; D270-R272 IonicContact OD2-NH2 2.82Å; D270-R272 PolarHBondContact OD2-NH2 2.89Å
273	M	91	Very high	92.1	Very high	64 Å²	64	52.2 Å²	52.2	32%	0.315	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126	173	-173.1	63.9	79.6	0	0	110.3	E265 V267 Y275	E265-M273 HydrophobicContact CB-SD 3.96Å; V267-M273 HydrophobicContact CG2-CE 3.72Å; V267-M273 HydrophobicContact CG2-SD 4.14Å; M273-Y275 HydrophobicContact CG-CE1 4.44Å; M273-Y275 HydrophobicContact CG-CE2 3.81Å; M273-Y275 WeakPolarHBondContact CG-OH 3.31Å
274	E	93.1	Very high	92.2	Very high	37 Å²	37	54.8 Å²	54.8	17%	0.173	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147.9	172.7	-67.7	-171.7	146.3	0	0	110.3	V231 F232 R266 T268	V231-E274 HydrophobicContact CG1-CB 4.06Å; V231-E274 HydrophobicContact CG1-CG 4.29Å; F232-E274 WeakPolarHBondContact O-CA 3.23Å; R266-E274 HydrophobicContact CG-CB 4Å; R266-E274 IonicContact CZ-OE2 3.77Å; R266-E274 PolarHBondContact N-O 3.46Å; R266-E274 IonicContact NE-OE2 3.53Å; R266-E274 PolarHBondContact NE-OE2 2.8Å; R266-E274 IonicContact NH2-OE2 2.68Å; R266-E274 PolarHBondContact NH2-OE2 3.31Å; R266-E274 PolarHBondContact O-N 2.85Å; T268-E274 HydrophobicContact CG2-CG 3.95Å; T268-E274 VanDerWaalsContact CG2-OE2 3.28Å; T268-E274 WeakPolarHBondContact CG2-OE2 3.44Å
275	Y	95	Very high	92.5	Very high	6 Å²	6	52 Å²	52	2%	0.024	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.5	-179.5	-55.7	-98	0	0	0	108.7	V231 F232 F234 R237 F240 E265 M273	V231-Y275 CarbonylContact C-O 3.5Å; V231-Y275 WeakPolarHBondContact CA-O 3.42Å; F232-Y275 PolarHBondContact N-O 3.34Å; F232-Y275 PolarHBondContact O-N 2.91Å; F234-Y275 HydrophobicContact CD2-CE2 4.32Å; R237-Y275 HydrophobicContact CB-CD2 4.36Å; R237-Y275 HydrophobicContact CB-CE2 3.97Å; R237-Y275 VanDerWaalsContact CD-OH 3.3Å; R237-Y275 WeakPolarHBondContact CD-OH 3.39Å; R237-Y275 HydrophobicContact CG-CD1 4.35Å; R237-Y275 HydrophobicContact CG-CE1 3.76Å; R237-Y275 HydrophobicContact CG-CE2 4.02Å; R237-Y275 PolarHBondContact NE-OH 2.89Å; R237-Y275 VanDerWaalsContact NE-OH 3.16Å; F240-Y275 AromaticContact CD1-CD1 3.44Å; F240-Y275 HydrophobicContact CD1-CD1 3.44Å; F240-Y275 VanDerWaalsContact CD1-CD1 3.44Å; F240-Y275 HydrophobicContact CD1-CE1 4.47Å; F240-Y275 AromaticContact CD1-CG 3.76Å; F240-Y275 HydrophobicContact CD1-CG 3.76Å; F240-Y275 AromaticContact CE1-CD1 3.53Å; F240-Y275 HydrophobicContact CE1-CD1 3.53Å; F240-Y275 HydrophobicContact CE1-CG 4.13Å; F240-Y275 HydrophobicContact CG-CD1 4.29Å; F240-Y275 HydrophobicContact CG-CG 4.16Å; F240-Y275 HydrophobicContact CZ-CD1 4.42Å; E265-Y275 HydrophobicContact CB-CD1 4.25Å; E265-Y275 HydrophobicContact CB-CE1 4.27Å; E265-Y275 HydrophobicContact CG-CD1 3.71Å; E265-Y275 HydrophobicContact CG-CE1 3.76Å; E265-Y275 WeakPolarHBondContact OE1-CE1 3.42Å; E265-Y275 VanDerWaalsContact OE2-CE1 3.25Å; E265-Y275 WeakPolarHBondContact OE2-CE1 3.35Å; M273-Y275 HydrophobicContact CG-CE1 4.44Å; M273-Y275 HydrophobicContact CG-CE2 3.81Å; M273-Y275 WeakPolarHBondContact CG-OH 3.31Å
276	L	95.5	Very high	92.8	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.047	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.5	-177.1	-53.3	79.2	0	0	0	109.7	L203 V229 K230 F240 G263 D264 R266	L203-L276 HydrophobicContact CD2-CD2 3.73Å; V229-L276 HydrophobicContact CG1-CB 4.12Å; V229-L276 HydrophobicContact CG1-CD2 4.09Å; V229-L276 HydrophobicContact CG1-CG 4.44Å; K230-L276 WeakPolarHBondContact O-CA 3.37Å; F240-L276 VanDerWaalsContact CE2-O 3.29Å; F240-L276 WeakPolarHBondContact CE2-O 3.29Å; G263-L276 CarbonylContact C-O 3.58Å; G263-L276 WeakPolarHBondContact CA-O 3.33Å; D264-L276 PolarHBondContact N-O 2.96Å; D264-L276 PolarHBondContact O-N 2.89Å; R266-L276 HydrophobicContact CB-CD1 3.78Å; R266-L276 HydrophobicContact CG-CD1 3.59Å
277	L	95.9	Very high	93.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.6	166	-160	83	0	0	0	108.6	V229 K230 F232 F240 E243 K244 Y247 F260 M279	V229-L277 WeakPolarHBondContact CA-O 3.34Å; K230-L277 HydrophobicContact CB-CB 4.28Å; K230-L277 PolarHBondContact N-O 3.4Å; K230-L277 PolarHBondContact O-N 3.17Å; F232-L277 HydrophobicContact CE2-CB 3.91Å; F240-L277 HydrophobicContact CD2-CB 4.3Å; F240-L277 HydrophobicContact CD2-CD1 4.2Å; F240-L277 HydrophobicContact CE2-CB 4.3Å; F240-L277 HydrophobicContact CE2-CD1 3.95Å; E243-L277 HydrophobicContact CB-CD2 4.29Å; E243-L277 HydrophobicContact CG-CD2 3.59Å; K244-L277 HydrophobicContact CB-CD1 3.89Å; Y247-L277 HydrophobicContact CD2-CD2 4Å; Y247-L277 HydrophobicContact CE2-CD2 3.79Å; F260-L277 HydrophobicContact CD2-CD1 4.1Å; F260-L277 HydrophobicContact CD2-CG 4.27Å; F260-L277 HydrophobicContact CE2-CD1 3.57Å; F260-L277 HydrophobicContact CE2-CG 4.14Å; L277-M279 HydrophobicContact CD2-CE 4.3Å; L277-M279 HydrophobicContact CD2-SD 4.04Å
278	V	96.3	Very high	93.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.3	-178	-171.8	0	0	0	0	109.3	L200 L203 L222 V227 A228 V229 I261 V262	L200-V278 HydrophobicContact CD2-CG2 4.27Å; L203-V278 HydrophobicContact CD2-CG2 4.07Å; L222-V278 HydrophobicContact CD2-CG1 4.4Å; V227-V278 HydrophobicContact CB-CG1 3.9Å; V227-V278 HydrophobicContact CG1-CG1 4.12Å; V227-V278 HydrophobicContact CG2-CG1 4.09Å; A228-V278 WeakPolarHBondContact O-CA 3.37Å; V229-V278 HydrophobicContact CG1-CG2 4.29Å; V229-V278 HydrophobicContact CG2-CG1 4.48Å; V229-V278 HydrophobicContact CG2-CG2 4.42Å; I261-V278 HydrophobicContact CB-CB 4.47Å; I261-V278 HydrophobicContact CB-CG1 4.26Å; I261-V278 WeakPolarHBondContact CB-O 3.44Å; I261-V278 HydrophobicContact CD1-CG1 4.37Å; I261-V278 PolarHBondContact N-O 3Å; V262-V278 HydrophobicContact CG1-CB 3.79Å; V262-V278 HydrophobicContact CG1-CG1 4.47Å; V262-V278 HydrophobicContact CG1-CG2 3.85Å; V262-V278 PolarHBondContact N-O 3.19Å; V262-V278 WeakPolarHBondContact O-CA 3.45Å; V262-V278 WeakPolarHBondContact O-CB 3.27Å; V262-V278 PolarHBondContact O-N 3.37Å
279	M	96.3	Very high	94.4	Very high	16 Å²	16	46.5 Å²	46.5	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	168.3	-174.6	-62.1	176.1	-73.6	0	0	110.2	V227 A228 K230 Y247 R259 L277	V227-M279 CarbonylContact C-O 3.5Å; V227-M279 WeakPolarHBondContact CA-O 3.48Å; V227-M279 WeakPolarHBondContact CB-O 3.34Å; A228-M279 HydrophobicContact CB-CB 4.45Å; A228-M279 PolarHBondContact N-O 3.25Å; A228-M279 PolarHBondContact O-N 3.27Å; K230-M279 HydrophobicContact CB-CE 4.14Å; K230-M279 HydrophobicContact CD-CE 4.49Å; Y247-M279 HydrophobicContact CE2-SD 3.88Å; Y247-M279 PolarHBondContact OH-SD 3.49Å; R259-M279 CarbonylContact O-C 3.41Å; R259-M279 WeakPolarHBondContact O-CA 3.21Å; L277-M279 HydrophobicContact CD2-CE 4.3Å; L277-M279 HydrophobicContact CD2-SD 4.04Å
280	E	96.4	Very high	95.1	Very high	59 Å²	59	42.6 Å²	42.6	28%	0.276	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	140.7	168.4	-176.4	165.4	107.9	0	0	111.9	R259 Y282	R259-E280 HydrophobicContact CB-CB 4.11Å; R259-E280 IonicContact CZ-OE2 2.75Å; R259-E280 IonicContact NE-OE2 3.58Å; R259-E280 PolarHBondContact NE-OE2 2.86Å; R259-E280 IonicContact NH2-OE2 3.6Å; R259-E280 PolarHBondContact NH2-OE2 2.88Å; R259-E280 PolarHBondContact O-N 2.98Å; E280-Y282 HydrophobicContact CB-CE2 3.92Å; E280-Y282 HydrophobicContact CG-CE1 4.07Å; E280-Y282 HydrophobicContact CG-CE2 4.19Å; E280-Y282 WeakPolarHBondContact O-CD2 3.32Å; E280-Y282 WeakPolarHBondContact O-CE2 3.18Å; E280-Y282 WeakPolarHBondContact OE1-CE1 3.14Å; E280-Y282 VanDerWaalsContact OE1-CZ 3.23Å; E280-Y282 PolarHBondContact OE1-OH 2.89Å
281	Y	97.3	Very high	95.5	Very high	49 Å²	49	38 Å²	38	19%	0.192	20%	0.199	C	C	.	.			trans	-88.1	123.9	174.4	177.3	-109.1	0	0	0	111.1	I209 K219 P226 P283	I209-Y281 HydrophobicContact CD1-CD2 4.02Å; I209-Y281 HydrophobicContact CD1-CE2 3.67Å; I209-Y281 HydrophobicContact CG1-CE2 4.46Å; K219-Y281 HydrophobicContact CB-CE2 4.23Å; K219-Y281 HydrophobicContact CD-CE1 4.42Å; K219-Y281 HydrophobicContact CD-CE2 4.07Å; K219-Y281 HydrophobicContact CG-CD2 4.13Å; K219-Y281 HydrophobicContact CG-CE2 3.86Å; P226-Y281 HydrophobicContact CB-CD1 3.99Å; P226-Y281 HydrophobicContact CB-CG 4.35Å; Y281-P283 HydrophobicContact CD1-CG 4.11Å; Y281-P283 HydrophobicContact CE1-CB 4.1Å; Y281-P283 HydrophobicContact CE1-CG 3.96Å; Y281-P283 WeakPolarHBondContact O-CD 3.49Å
282	Y	96.9	Very high	96	Very high	15 Å²	15	38.1 Å²	38.1	6%	0.059	19%	0.19	C	C	.	.			trans	-103.7	104.9	177.8	-63.4	-75.5	0	0	0	109.9	A258 R259 E280 N284 G285 L340 K342 V348	A258-Y282 HydrophobicContact CB-CE2 4.02Å; R259-Y282 PolarHBondContact N-OH 2.88Å; E280-Y282 HydrophobicContact CB-CE2 3.92Å; E280-Y282 HydrophobicContact CG-CE1 4.07Å; E280-Y282 HydrophobicContact CG-CE2 4.19Å; E280-Y282 WeakPolarHBondContact O-CD2 3.32Å; E280-Y282 WeakPolarHBondContact O-CE2 3.18Å; E280-Y282 WeakPolarHBondContact OE1-CE1 3.14Å; E280-Y282 VanDerWaalsContact OE1-CZ 3.23Å; E280-Y282 PolarHBondContact OE1-OH 2.89Å; Y282-N284 VanDerWaalsContact C-N 3.32Å; Y282-N284 PolarHBondContact O-N 2.82Å; Y282-G285 PolarHBondContact O-N 2.85Å; Y282-L340 HydrophobicContact CD2-CB 4.26Å; Y282-L340 HydrophobicContact CD2-CD1 3.57Å; Y282-L340 HydrophobicContact CE2-CD1 4.3Å; Y282-L340 HydrophobicContact CG-CB 4.29Å; Y282-L340 HydrophobicContact CG-CD1 4.33Å; Y282-K342 HydrophobicContact CD1-CG 3.98Å; Y282-K342 HydrophobicContact CE1-CG 4.01Å; Y282-V348 HydrophobicContact CD1-CG2 4.45Å; Y282-V348 HydrophobicContact CD2-CG2 4.18Å; Y282-V348 HydrophobicContact CE1-CG1 4.36Å; Y282-V348 HydrophobicContact CE1-CG2 4.22Å; Y282-V348 HydrophobicContact CE2-CG2 3.9Å; Y282-V348 HydrophobicContact CG-CG2 4.45Å
283	P	95	Very high	96.4	Very high	65 Å²	65	36.5 Å²	36.5	42%	0.422	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-33.4	-169.1	-26.1	35.4	0	0	0	115.1	Y281 G285 N343	Y281-P283 HydrophobicContact CD1-CG 4.11Å; Y281-P283 HydrophobicContact CE1-CB 4.1Å; Y281-P283 HydrophobicContact CE1-CG 3.96Å; Y281-P283 WeakPolarHBondContact O-CD 3.49Å; P283-G285 PolarHBondContact O-N 2.84Å; P283-N343 WeakPolarHBondContact CD-OD1 3.28Å
284	N	96.6	Very high	96.6	Very high	56 Å²	56	37.2 Å²	37.2	30%	0.299	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.7	178.5	-69.8	-19.4	0	0	0	112.9	Y282 Y290 V341 K342	Y282-N284 VanDerWaalsContact C-N 3.32Å; Y282-N284 PolarHBondContact O-N 2.82Å; N284-Y290 HydrophobicContact CB-CD2 4.01Å; N284-Y290 HydrophobicContact CB-CE2 4.47Å; N284-V341 HydrophobicContact CB-CB 3.99Å; N284-V341 HydrophobicContact CB-CG1 4.16Å; N284-V341 WeakPolarHBondContact CB-O 3.36Å; N284-K342 PolarHBondContact ND2-O 2.97Å
285	G	96.3	Very high	96.8	Very high	15 Å²	15	38.5 Å²	38.5	16%	0.155	21%	0.205	C	C	.	.			trans	72.7	-152.8	176.6	0	0	0	0	0	113.2	Y282 P283 L340 V341	Y282-G285 PolarHBondContact O-N 2.85Å; P283-G285 PolarHBondContact O-N 2.84Å; G285-L340 CarbonylContact O-C 3.58Å; G285-L340 WeakPolarHBondContact O-CA 3.36Å; G285-V341 PolarHBondContact O-N 3.43Å
286	S	97.6	Very high	96.9	Very high	27 Å²	27	38.6 Å²	38.6	19%	0.189	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-75	154.1	177.4	60.2	0	0	0	0	112.6	C288 K289 Y290 R337 V339	S286-C288 PolarHBondContact O-N 2.98Å; S286-K289 PolarHBondContact O-N 3.06Å; S286-K289 PolarHBondContact OG-N 3.43Å; S286-Y290 PolarHBondContact O-N 3.29Å; S286-R337 WeakPolarHBondContact CB-O 3.29Å; S286-V339 CarbonylContact C-O 3.48Å; S286-V339 WeakPolarHBondContact CA-O 3.17Å; S286-V339 WeakPolarHBondContact CB-O 3.44Å
287	L	98.6	Very high	96.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.9	-39.1	177.2	179.1	65.8	0	0	0	111.6	K289 Y290 L291 L304 S336 V339 V341 I412 I416	L287-K289 PolarHBondContact O-N 2.93Å; L287-Y290 PolarHBondContact O-N 2.83Å; L287-L291 HydrophobicContact CD1-CD1 3.92Å; L287-L291 HydrophobicContact CD1-CD2 4.32Å; L287-L291 HydrophobicContact CD1-CG 3.86Å; L287-L291 HydrophobicContact CD2-CD1 4.41Å; L287-L291 HydrophobicContact CG-CD1 3.76Å; L287-L291 HydrophobicContact CG-CG 4.14Å; L287-L291 WeakPolarHBondContact O-CB 3.49Å; L287-L291 VanDerWaalsContact O-CG 3.25Å; L287-L291 WeakPolarHBondContact O-CG 3.33Å; L287-L291 PolarHBondContact O-N 3.46Å; L287-L304 HydrophobicContact CD1-CD1 4.3Å; L287-L304 HydrophobicContact CD1-CD2 4.23Å; L287-S336 CarbonylContact C-O 3.47Å; L287-S336 WeakPolarHBondContact CB-O 3.42Å; L287-S336 PolarHBondContact N-O 2.81Å; L287-V339 HydrophobicContact CB-CB 4Å; L287-V339 HydrophobicContact CB-CG1 3.87Å; L287-V339 HydrophobicContact CD2-CB 4.33Å; L287-V339 HydrophobicContact CD2-CG1 4.05Å; L287-V339 PolarHBondContact N-O 3.25Å; L287-V341 HydrophobicContact CB-CG2 4.1Å; L287-V341 HydrophobicContact CD1-CG2 3.89Å; L287-I412 HydrophobicContact CD2-CG2 3.78Å; L287-I416 HydrophobicContact CD1-CG1 4.35Å; L287-I416 HydrophobicContact CD2-CD1 3.92Å; L287-I416 HydrophobicContact CD2-CG1 3.9Å
288	C	97.4	Very high	96.8	Very high	17 Å²	17	41 Å²	41	12%	0.115	22%	0.22	C	C	.	.	H	α-helix	trans	-55.6	-46.4	171.9	175.2	0	0	0	0	112.4	S286 S292 S336 R337 Y432	S286-C288 PolarHBondContact O-N 2.98Å; C288-S292 PolarHBondContact O-N 3.3Å; C288-S292 PolarHBondContact O-OG 3.44Å; C288-S336 WeakPolarHBondContact CB-O 3.47Å; C288-S336 PolarHBondContact N-O 3.23Å; C288-R337 HydrophobicContact CB-CG 3.9Å; C288-Y432 PolarHBondContact SG-OH 3.05Å
289	K	96.9	Very high	96.7	Very high	115 Å²	115	43.2 Å²	43.2	50%	0.5	23%	0.233	S	C	.	.	H	α-helix	trans	-70	-37.1	175.3	-175.3	-178.9	178.8	-177.2	0	111.9	S286 L287 S292 L293	S286-K289 PolarHBondContact O-N 3.06Å; S286-K289 PolarHBondContact OG-N 3.43Å; L287-K289 PolarHBondContact O-N 2.93Å; K289-S292 PolarHBondContact O-OG 3.29Å; K289-L293 HydrophobicContact CG-CD1 4.13Å; K289-L293 WeakPolarHBondContact O-CG 3.44Å; K289-L293 PolarHBondContact O-N 3Å
290	Y	98.4	Very high	96.7	Very high	39 Å²	39	44.5 Å²	44.5	15%	0.153	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-47.5	179.3	-176.3	-96.2	0	0	0	111.4	N284 S286 L287 S292 L293 H294 L304 V341	N284-Y290 HydrophobicContact CB-CD2 4.01Å; N284-Y290 HydrophobicContact CB-CE2 4.47Å; S286-Y290 PolarHBondContact O-N 3.29Å; L287-Y290 PolarHBondContact O-N 2.83Å; Y290-S292 VanDerWaalsContact C-N 3.34Å; Y290-S292 PolarHBondContact O-N 2.96Å; Y290-L293 PolarHBondContact O-N 2.97Å; Y290-H294 AromaticContact CD2-CE1 3.78Å; Y290-H294 AromaticContact CD2-ND1 3.43Å; Y290-H294 WeakPolarHBondContact CD2-ND1 3.34Å; Y290-H294 HydrophobicContact CE1-CB 4.26Å; Y290-H294 AromaticContact CE2-CE1 3.84Å; Y290-H294 AromaticContact CE2-ND1 3.54Å; Y290-H294 AromaticContact CG-ND1 3.87Å; Y290-H294 WeakPolarHBondContact O-CB 3.32Å; Y290-H294 PolarHBondContact O-N 2.98Å; Y290-H294 PolarHBondContact O-ND1 2.64Å; Y290-L304 HydrophobicContact CD1-CD1 4.39Å; Y290-L304 HydrophobicContact CE1-CD1 4.06Å; Y290-V341 HydrophobicContact CD1-CG1 4.48Å; Y290-V341 HydrophobicContact CD1-CG2 4.32Å; Y290-V341 HydrophobicContact CD2-CB 4.4Å; Y290-V341 HydrophobicContact CD2-CG1 4.09Å; Y290-V341 HydrophobicContact CE2-CG1 4.23Å; Y290-V341 HydrophobicContact CG-CB 4.32Å; Y290-V341 HydrophobicContact CG-CG1 4.21Å; Y290-V341 HydrophobicContact CG-CG2 4Å
291	L	98.4	Very high	96.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-68	-29.8	179.4	-68.8	174.4	0	0	0	112.9	L287 L293 E415 I416 R419 Y432	L287-L291 HydrophobicContact CD1-CD1 3.92Å; L287-L291 HydrophobicContact CD1-CD2 4.32Å; L287-L291 HydrophobicContact CD1-CG 3.86Å; L287-L291 HydrophobicContact CD2-CD1 4.41Å; L287-L291 HydrophobicContact CG-CD1 3.76Å; L287-L291 HydrophobicContact CG-CG 4.14Å; L287-L291 WeakPolarHBondContact O-CB 3.49Å; L287-L291 VanDerWaalsContact O-CG 3.25Å; L287-L291 WeakPolarHBondContact O-CG 3.33Å; L287-L291 PolarHBondContact O-N 3.46Å; L291-L293 VanDerWaalsContact C-N 3.33Å; L291-E415 HydrophobicContact CD1-CB 4.14Å; L291-I416 HydrophobicContact CD1-CG1 4.18Å; L291-R419 HydrophobicContact CB-CG 4.24Å; L291-R419 HydrophobicContact CD2-CB 4.01Å; L291-R419 HydrophobicContact CD2-CG 4.15Å; L291-R419 PolarHBondContact O-NE 3.37Å; L291-R419 PolarHBondContact O-NH2 3.06Å; L291-R419 VanDerWaalsContact O-NH2 3.13Å; L291-Y432 HydrophobicContact CB-CD2 3.55Å; L291-Y432 HydrophobicContact CB-CE2 3.82Å; L291-Y432 HydrophobicContact CB-CG 4.26Å; L291-Y432 HydrophobicContact CD1-CD2 4.38Å; L291-Y432 HydrophobicContact CD1-CE2 4.02Å
292	S	97.6	Very high	96.7	Very high	61 Å²	61	39.4 Å²	39.4	43%	0.427	22%	0.221	S	C	.	.	H	α-helix	trans	-70.6	-28.4	173.6	71	0	0	0	0	113.6	C288 K289 Y290	C288-S292 PolarHBondContact O-N 3.3Å; C288-S292 PolarHBondContact O-OG 3.44Å; K289-S292 PolarHBondContact O-OG 3.29Å; Y290-S292 VanDerWaalsContact C-N 3.34Å; Y290-S292 PolarHBondContact O-N 2.96Å
293	L	97.1	Very high	96.8	Very high	115 Å²	115	43.5 Å²	43.5	60%	0.602	24%	0.237	S	C	*	.	H	α-helix	trans	-95.4	-23.9	180	-64.2	173.9	0	0	0	114	K289 Y290 L291	K289-L293 HydrophobicContact CG-CD1 4.13Å; K289-L293 WeakPolarHBondContact O-CG 3.44Å; K289-L293 PolarHBondContact O-N 3Å; Y290-L293 PolarHBondContact O-N 2.97Å; L291-L293 VanDerWaalsContact C-N 3.33Å
294	H	96.8	Very high	96.9	Very high	78 Å²	78	40.5 Å²	40.5	36%	0.361	22%	0.217	S	C	.	.			trans	-128.9	155.7	-171.9	-49.8	91.9	0	0	0	112.7	Y290 R419	Y290-H294 AromaticContact CD2-CE1 3.78Å; Y290-H294 AromaticContact CD2-ND1 3.43Å; Y290-H294 WeakPolarHBondContact CD2-ND1 3.34Å; Y290-H294 HydrophobicContact CE1-CB 4.26Å; Y290-H294 AromaticContact CE2-CE1 3.84Å; Y290-H294 AromaticContact CE2-ND1 3.54Å; Y290-H294 AromaticContact CG-ND1 3.87Å; Y290-H294 WeakPolarHBondContact O-CB 3.32Å; Y290-H294 PolarHBondContact O-N 2.98Å; Y290-H294 PolarHBondContact O-ND1 2.64Å; H294-R419 PolarHBondContact O-NE 3.16Å; H294-R419 PolarHBondContact O-NH2 3.24Å; H294-R419 VanDerWaalsContact O-NH2 3.09Å
295	T	96.8	Very high	97	Very high	64 Å²	64	37.8 Å²	37.8	39%	0.393	20%	0.203	S	C	.	.			trans	-111.5	153.8	160.2	52.4	0	0	0	0	108.5	R419 I429	T295-R419 WeakPolarHBondContact CA-O 3.25Å; T295-I429 HydrophobicContact CG2-CB 4.34Å; T295-I429 HydrophobicContact CG2-CD1 3.84Å; T295-I429 HydrophobicContact CG2-CG2 3.95Å
296	S	96	Very high	97.2	Very high	8 Å²	8	38.9 Å²	38.9	6%	0.056	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-123.5	152.7	-176.2	-71.5	0	0	0	0	111	S301 R419 C420 T421	S296-S301 WeakPolarHBondContact CB-OG 3.3Å; S296-R419 PolarHBondContact N-O 2.83Å; S296-C420 CarbonylContact O-C 3.46Å; S296-C420 VanDerWaalsContact O-CA 3.26Å; S296-C420 WeakPolarHBondContact O-CA 3.43Å; S296-T421 WeakPolarHBondContact O-CG2 3.47Å; S296-T421 PolarHBondContact O-N 2.75Å; S296-T421 PolarHBondContact O-OG1 2.77Å
297	D	95	Very high	97.2	Very high	61 Å²	61	37.9 Å²	37.9	33%	0.326	20%	0.197	S	C	.	.			trans	-74.5	174.3	166.4	82	-44.1	0	0	0	110.8	V299 S300 S301 T421	D297-V299 VanDerWaalsContact C-N 3.29Å; D297-V299 PolarHBondContact O-N 3.36Å; D297-V299 PolarHBondContact OD2-N 3.14Å; D297-S300 PolarHBondContact O-N 3.22Å; D297-S300 WeakPolarHBondContact OD1-CB 3.33Å; D297-S300 PolarHBondContact OD1-N 3.4Å; D297-S300 PolarHBondContact OD1-OG 3.12Å; D297-S301 WeakPolarHBondContact O-CB 3.2Å; D297-S301 PolarHBondContact O-N 3.19Å; D297-S301 PolarHBondContact O-OG 3.13Å; D297-T421 WeakPolarHBondContact CA-OG1 3.37Å
298	W	94.6	Very high	97.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-56.1	-44.5	177.8	178.8	-85.6	0	0	0	112.3	S300 S301 C302 F417 D422 L423 A472 V473 L476 L504 W508	W298-S300 PolarHBondContact O-N 2.64Å; W298-S301 PolarHBondContact O-N 3.24Å; W298-C302 PolarHBondContact NE1-SG 3.4Å; W298-C302 PolarHBondContact O-N 3.39Å; W298-F417 HydrophobicContact CD2-CE1 4.48Å; W298-F417 HydrophobicContact CE3-CE1 4.2Å; W298-F417 HydrophobicContact CH2-CE1 4.33Å; W298-F417 HydrophobicContact CZ3-CD1 4.32Å; W298-F417 HydrophobicContact CZ3-CE1 4.12Å; W298-D422 HydrophobicContact CB-CB 3.96Å; W298-D422 WeakPolarHBondContact CB-OD2 3.23Å; W298-D422 PolarHBondContact N-OD2 2.92Å; W298-L423 HydrophobicContact CE3-CD2 4.5Å; W298-L423 HydrophobicContact CE3-CG 4.34Å; W298-L423 HydrophobicContact CZ3-CD1 4.24Å; W298-L423 HydrophobicContact CZ3-CD2 4.03Å; W298-L423 HydrophobicContact CZ3-CG 4.19Å; W298-A472 HydrophobicContact CH2-CB 4.03Å; W298-A472 HydrophobicContact CZ2-CB 3.76Å; W298-V473 HydrophobicContact CZ3-CG2 4.47Å; W298-L476 HydrophobicContact CH2-CB 4.02Å; W298-L476 HydrophobicContact CH2-CD2 3.77Å; W298-L476 HydrophobicContact CH2-CG 4.47Å; W298-L476 HydrophobicContact CZ3-CD2 3.8Å; W298-L504 HydrophobicContact CZ2-CB 4.24Å; W298-L504 HydrophobicContact CZ2-CD2 4.25Å; W298-L504 PolarHBondContact NE1-O 3.19Å; W298-L504 VanDerWaalsContact NE1-O 3.15Å; W298-W508 HydrophobicContact CB-CD2 4.03Å; W298-W508 HydrophobicContact CB-CG 4.17Å; W298-W508 HydrophobicContact CB-CZ2 4.33Å; W298-W508 VanDerWaalsContact CD1-CB 3.41Å; W298-W508 AromaticContact CD1-CD1 3.48Å; W298-W508 VanDerWaalsContact CD1-CD1 3.48Å; W298-W508 AromaticContact CD1-CD2 3.73Å; W298-W508 AromaticContact CD1-CG 3.24Å; W298-W508 HydrophobicContact CD2-CB 4.39Å; W298-W508 AromaticContact CD2-CD2 3.57Å; W298-W508 HydrophobicContact CD2-CD2 3.57Å; W298-W508 AromaticContact CD2-CE3 3.48Å; W298-W508 HydrophobicContact CD2-CE3 3.48Å; W298-W508 VanDerWaalsContact CD2-CE3 3.48Å; W298-W508 AromaticContact CD2-CG 3.95Å; W298-W508 HydrophobicContact CD2-CG 3.95Å; W298-W508 HydrophobicContact CD2-CZ3 4.02Å; W298-W508 AromaticContact CE2-CD2 3.88Å; W298-W508 AromaticContact CE2-CE3 3.68Å; W298-W508 AromaticContact CE2-CG 3.96Å; W298-W508 HydrophobicContact CE3-CD2 4.13Å; W298-W508 AromaticContact CE3-CE3 3.65Å; W298-W508 HydrophobicContact CE3-CE3 3.65Å; W298-W508 HydrophobicContact CE3-CH2 4.25Å; W298-W508 AromaticContact CE3-CZ3 3.71Å; W298-W508 HydrophobicContact CE3-CZ3 3.71Å; W298-W508 HydrophobicContact CG-CB 4.13Å; W298-W508 AromaticContact CG-CD1 3.67Å; W298-W508 AromaticContact CG-CD2 3.49Å; W298-W508 HydrophobicContact CG-CD2 3.49Å; W298-W508 VanDerWaalsContact CG-CD2 3.49Å; W298-W508 AromaticContact CG-CE2 3.78Å; W298-W508 AromaticContact CG-CE3 3.95Å; W298-W508 HydrophobicContact CG-CE3 3.95Å; W298-W508 AromaticContact CG-CG 3.51Å; W298-W508 HydrophobicContact CG-CG 3.51Å; W298-W508 AromaticContact CG-NE1 3.77Å; W298-W508 HydrophobicContact CH2-CE3 4.2Å; W298-W508 HydrophobicContact CH2-CZ3 4.49Å; W298-W508 HydrophobicContact CZ2-CE3 4.05Å; W298-W508 HydrophobicContact CZ3-CE3 4.01Å; W298-W508 AromaticContact CZ3-CZ3 3.96Å; W298-W508 HydrophobicContact CZ3-CZ3 3.96Å; W298-W508 AromaticContact NE1-CD2 3.94Å; W298-W508 AromaticContact NE1-CG 3.52Å
299	V	94.3	Very high	97.3	Very high	46 Å²	46	37 Å²	37	28%	0.279	19%	0.191	S	C	.	.	H	α-helix	trans	-67.5	-40	-174.7	-176.4	0	0	0	0	110.9	D297 R303	D297-V299 VanDerWaalsContact C-N 3.29Å; D297-V299 PolarHBondContact O-N 3.36Å; D297-V299 PolarHBondContact OD2-N 3.14Å; V299-R303 WeakPolarHBondContact O-CB 3.39Å; V299-R303 PolarHBondContact O-N 3.23Å
300	S	96.3	Very high	97.4	Very high	44 Å²	44	35.6 Å²	35.6	31%	0.308	18%	0.182	S	C	.	.	H	α-helix	trans	-71.7	-35.7	175.1	-53.9	0	0	0	0	112.2	D297 W298 R303 L304	D297-S300 PolarHBondContact O-N 3.22Å; D297-S300 WeakPolarHBondContact OD1-CB 3.33Å; D297-S300 PolarHBondContact OD1-N 3.4Å; D297-S300 PolarHBondContact OD1-OG 3.12Å; W298-S300 PolarHBondContact O-N 2.64Å; S300-R303 WeakPolarHBondContact O-CB 3.44Å; S300-R303 PolarHBondContact O-N 3.04Å; S300-R303 VanDerWaalsContact O-N 3.15Å; S300-L304 WeakPolarHBondContact O-CG 3.45Å; S300-L304 PolarHBondContact O-N 3.13Å
301	S	97.9	Very high	97.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-48	173.9	-55.7	0	0	0	0	111.1	S296 D297 W298 R303 L304 A305 I416 C420	S296-S301 WeakPolarHBondContact CB-OG 3.3Å; D297-S301 WeakPolarHBondContact O-CB 3.2Å; D297-S301 PolarHBondContact O-N 3.19Å; D297-S301 PolarHBondContact O-OG 3.13Å; W298-S301 PolarHBondContact O-N 3.24Å; S301-R303 VanDerWaalsContact C-N 3.3Å; S301-R303 PolarHBondContact O-N 3Å; S301-L304 PolarHBondContact O-N 2.84Å; S301-A305 WeakPolarHBondContact O-CB 3.37Å; S301-A305 PolarHBondContact O-N 3.14Å; S301-I416 WeakPolarHBondContact O-CG2 3.31Å; S301-C420 WeakPolarHBondContact OG-CB 3.49Å
302	C	97.2	Very high	97.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-35.1	171.1	-74.5	0	0	0	0	112.6	W298 A305 H306 M505	W298-C302 PolarHBondContact NE1-SG 3.4Å; W298-C302 PolarHBondContact O-N 3.39Å; C302-A305 PolarHBondContact O-N 3.46Å; C302-H306 WeakPolarHBondContact O-CB 3.45Å; C302-H306 PolarHBondContact O-N 2.87Å; C302-M505 VanDerWaalsContact C-CE 3.47Å; C302-M505 HydrophobicContact CB-CE 3.87Å; C302-M505 HydrophobicContact CB-CG 3.61Å; C302-M505 VanDerWaalsContact O-CE 3.3Å; C302-M505 WeakPolarHBondContact O-CE 3.22Å
303	R	97.7	Very high	97.5	Very high	101 Å²	101	31 Å²	31	38%	0.381	16%	0.156	S	C	.	.	H	α-helix	trans	-63.8	-46	177.1	-170.8	-172.9	-51.7	-70	-6.7	111.6	V299 S300 S301 S307 G345 T346	V299-R303 WeakPolarHBondContact O-CB 3.39Å; V299-R303 PolarHBondContact O-N 3.23Å; S300-R303 WeakPolarHBondContact O-CB 3.44Å; S300-R303 PolarHBondContact O-N 3.04Å; S300-R303 VanDerWaalsContact O-N 3.15Å; S301-R303 VanDerWaalsContact C-N 3.3Å; S301-R303 PolarHBondContact O-N 3Å; R303-S307 VanDerWaalsContact O-CB 3.29Å; R303-S307 WeakPolarHBondContact O-CB 3.46Å; R303-S307 PolarHBondContact O-N 3.11Å; R303-S307 VanDerWaalsContact O-N 3.11Å; R303-S307 PolarHBondContact O-OG 2.89Å; R303-G345 WeakPolarHBondContact CD-O 3.46Å; R303-G345 WeakPolarHBondContact CG-O 3.41Å; R303-T346 HydrophobicContact CG-CG2 4.08Å
304	L	98.6	Very high	97.5	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-50.9	174.6	-66.4	167.5	0	0	0	110.3	L287 Y290 S300 S301 S307 V308 V341 G345 C347 I416	L287-L304 HydrophobicContact CD1-CD1 4.3Å; L287-L304 HydrophobicContact CD1-CD2 4.23Å; Y290-L304 HydrophobicContact CD1-CD1 4.39Å; Y290-L304 HydrophobicContact CE1-CD1 4.06Å; S300-L304 WeakPolarHBondContact O-CG 3.45Å; S300-L304 PolarHBondContact O-N 3.13Å; S301-L304 PolarHBondContact O-N 2.84Å; L304-S307 PolarHBondContact O-OG 3.5Å; L304-S307 VanDerWaalsContact O-OG 3.05Å; L304-V308 WeakPolarHBondContact O-CG2 3.48Å; L304-V308 PolarHBondContact O-N 3.06Å; L304-V308 VanDerWaalsContact O-N 3.17Å; L304-V341 HydrophobicContact CD2-CG1 3.97Å; L304-V341 HydrophobicContact CD2-CG2 4.21Å; L304-G345 WeakPolarHBondContact CD2-O 3.22Å; L304-C347 VanDerWaalsContact CD2-SG 3.53Å; L304-I416 HydrophobicContact CB-CD1 4.14Å; L304-I416 HydrophobicContact CB-CG2 4.28Å; L304-I416 HydrophobicContact CD1-CG2 4.5Å
305	A	98.6	Very high	97.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.1	-52.3	-178.7	0	0	0	0	0	112.8	S301 C302 S307 V308 T309 Y413 I416 F417 M501	S301-A305 WeakPolarHBondContact O-CB 3.37Å; S301-A305 PolarHBondContact O-N 3.14Å; C302-A305 PolarHBondContact O-N 3.46Å; A305-S307 VanDerWaalsContact C-N 3.33Å; A305-S307 PolarHBondContact O-N 3.42Å; A305-V308 PolarHBondContact O-N 3.29Å; A305-T309 PolarHBondContact O-N 3.46Å; A305-T309 PolarHBondContact O-OG1 3.1Å; A305-Y413 HydrophobicContact CB-CD1 3.55Å; A305-Y413 HydrophobicContact CB-CE1 3.89Å; A305-Y413 HydrophobicContact CB-CG 4.36Å; A305-I416 HydrophobicContact CB-CD1 4.04Å; A305-F417 HydrophobicContact CB-CE2 3.9Å; A305-F417 HydrophobicContact CB-CZ 4.43Å; A305-M501 HydrophobicContact CB-CE 3.93Å; A305-M501 HydrophobicContact CB-CG 3.85Å; A305-M501 HydrophobicContact CB-SD 3.68Å
306	H	98.5	Very high	97.7	Very high	38 Å²	38	21.5 Å²	21.5	18%	0.176	10%	0.103	C	C	.	.	H	α-helix	trans	-58.8	-42.8	-179.8	177.7	-105.2	0	0	0	112.1	C302 T309 R310 E498 M501 M505	C302-H306 WeakPolarHBondContact O-CB 3.45Å; C302-H306 PolarHBondContact O-N 2.87Å; H306-T309 PolarHBondContact O-N 3.05Å; H306-R310 WeakPolarHBondContact O-CB 3.28Å; H306-R310 PolarHBondContact O-N 3.07Å; H306-E498 IonicContact CD2-OE1 2.68Å; H306-E498 IonicContact CE1-OE1 2.87Å; H306-E498 IonicContact NE2-OE1 3.81Å; H306-E498 PolarHBondContact NE2-OE1 2.82Å; H306-M501 HydrophobicContact CB-CB 4.38Å; H306-M501 HydrophobicContact CB-CG 3.82Å; H306-M505 HydrophobicContact CB-CE 3.61Å
307	S	98.8	Very high	97.7	Very high	5 Å²	5	23.7 Å²	23.7	4%	0.035	12%	0.116	C	C	.	.	H	α-helix	trans	-69.1	-35.6	-179.5	55.1	0	0	0	0	113.2	N256 R303 L304 A305 G311 C347	N256-S307 WeakPolarHBondContact CB-O 3.46Å; N256-S307 VanDerWaalsContact CG-O 3.23Å; N256-S307 WeakPolarHBondContact ND2-CB 3.45Å; R303-S307 VanDerWaalsContact O-CB 3.29Å; R303-S307 WeakPolarHBondContact O-CB 3.46Å; R303-S307 PolarHBondContact O-N 3.11Å; R303-S307 VanDerWaalsContact O-N 3.11Å; R303-S307 PolarHBondContact O-OG 2.89Å; L304-S307 PolarHBondContact O-OG 3.5Å; L304-S307 VanDerWaalsContact O-OG 3.05Å; A305-S307 VanDerWaalsContact C-N 3.33Å; A305-S307 PolarHBondContact O-N 3.42Å; S307-G311 PolarHBondContact O-N 3.27Å; S307-G311 VanDerWaalsContact O-N 3.17Å; S307-C347 WeakPolarHBondContact OG-CB 3.42Å; S307-C347 PolarHBondContact OG-N 3.5Å
308	V	98.8	Very high	97.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.7	-49.8	168.4	177.2	0	0	0	0	110.3	L304 A305 R310 G311 L312 V339 C347 L409	L304-V308 WeakPolarHBondContact O-CG2 3.48Å; L304-V308 PolarHBondContact O-N 3.06Å; L304-V308 VanDerWaalsContact O-N 3.17Å; A305-V308 PolarHBondContact O-N 3.29Å; V308-R310 PolarHBondContact O-N 3.33Å; V308-G311 WeakPolarHBondContact O-CA 3.48Å; V308-G311 PolarHBondContact O-N 3.14Å; V308-L312 PolarHBondContact O-N 3.43Å; V308-V339 HydrophobicContact CG1-CG2 4.07Å; V308-V339 HydrophobicContact CG2-CB 4.49Å; V308-V339 HydrophobicContact CG2-CG1 3.56Å; V308-V339 HydrophobicContact CG2-CG2 4.1Å; V308-C347 HydrophobicContact CG2-CB 3.46Å; V308-C347 VanDerWaalsContact CG2-CB 3.46Å; V308-L409 HydrophobicContact CB-CD1 4.46Å; V308-L409 HydrophobicContact CG1-CD1 3.65Å
309	T	98.8	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.2	-39.1	-175.9	-47	0	0	0	0	112.8	A305 H306 G311 L312 A313 L409 Y413 A494 A497 E498	A305-T309 PolarHBondContact O-N 3.46Å; A305-T309 PolarHBondContact O-OG1 3.1Å; H306-T309 PolarHBondContact O-N 3.05Å; T309-G311 VanDerWaalsContact C-N 3.27Å; T309-G311 PolarHBondContact O-N 2.96Å; T309-L312 PolarHBondContact O-N 3.02Å; T309-L312 VanDerWaalsContact O-N 3.13Å; T309-A313 WeakPolarHBondContact O-CB 3.26Å; T309-A313 PolarHBondContact O-N 3.19Å; T309-L409 HydrophobicContact CG2-CD2 3.81Å; T309-Y413 WeakPolarHBondContact OG1-CE1 3.45Å; T309-Y413 PolarHBondContact OG1-OH 3.17Å; T309-A494 WeakPolarHBondContact CG2-O 3.48Å; T309-A497 HydrophobicContact CG2-CB 3.74Å; T309-E498 HydrophobicContact CG2-CB 3.96Å; T309-E498 VanDerWaalsContact CG2-N 3.34Å
310	R	98.8	Very high	97.4	Very high	85 Å²	85	30.2 Å²	30.2	32%	0.321	15%	0.151	S	C	.	.	H	α-helix	trans	-62.3	-35.2	173.1	-170.7	-177.5	165.7	-114.3	2.2	111.6	H254 D255 N256 H306 V308 Y314 E498	H254-R310 PolarHBondContact CE1-O 2.83Å; H254-R310 VanDerWaalsContact NE2-CZ 3.28Å; H254-R310 PolarHBondContact NE2-NH1 3.01Å; H254-R310 PolarHBondContact NE2-NH2 2.73Å; D255-R310 IonicContact OD2-CZ 2.77Å; D255-R310 VanDerWaalsContact OD2-CZ 3.24Å; D255-R310 IonicContact OD2-NH1 2.79Å; D255-R310 PolarHBondContact OD2-NH1 3.26Å; D255-R310 IonicContact OD2-NH2 2.8Å; D255-R310 PolarHBondContact OD2-NH2 3.06Å; N256-R310 WeakPolarHBondContact OD1-CD 3.2Å; N256-R310 PolarHBondContact OD1-NH1 3.43Å; H306-R310 WeakPolarHBondContact O-CB 3.28Å; H306-R310 PolarHBondContact O-N 3.07Å; V308-R310 PolarHBondContact O-N 3.33Å; R310-Y314 WeakPolarHBondContact O-CB 3.33Å; R310-Y314 PolarHBondContact O-N 3.27Å; R310-Y314 VanDerWaalsContact O-N 3.15Å; R310-E498 HydrophobicContact CB-CG 4.08Å; R310-E498 HydrophobicContact CG-CG 4.48Å
311	G	98.8	Very high	97.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-48.1	169	0	0	0	0	0	112.6	S307 V308 T309 Y314 L315	S307-G311 PolarHBondContact O-N 3.27Å; S307-G311 VanDerWaalsContact O-N 3.17Å; V308-G311 WeakPolarHBondContact O-CA 3.48Å; V308-G311 PolarHBondContact O-N 3.14Å; T309-G311 VanDerWaalsContact C-N 3.27Å; T309-G311 PolarHBondContact O-N 2.96Å; G311-Y314 WeakPolarHBondContact O-CB 3.47Å; G311-Y314 PolarHBondContact O-N 3.49Å; G311-L315 PolarHBondContact O-N 3.15Å
312	L	98.9	Very high	96.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.5	-41.2	-179.3	-168.7	65.3	0	0	0	112.4	V308 T309 Y314 L315 H316 L334 I349 D405 M406 L409 A494	V308-L312 PolarHBondContact O-N 3.43Å; T309-L312 PolarHBondContact O-N 3.02Å; T309-L312 VanDerWaalsContact O-N 3.13Å; L312-Y314 VanDerWaalsContact C-N 3.28Å; L312-Y314 PolarHBondContact O-N 3.19Å; L312-L315 HydrophobicContact CD1-CD1 4.37Å; L312-L315 WeakPolarHBondContact O-CB 3.49Å; L312-L315 PolarHBondContact O-N 3.05Å; L312-L315 VanDerWaalsContact O-N 3.13Å; L312-H316 WeakPolarHBondContact O-CB 3.49Å; L312-H316 PolarHBondContact O-N 2.81Å; L312-L334 HydrophobicContact CD1-CD2 4.12Å; L312-L334 HydrophobicContact CD2-CD2 3.8Å; L312-I349 HydrophobicContact CB-CD1 3.99Å; L312-I349 HydrophobicContact CD1-CD1 4.39Å; L312-D405 HydrophobicContact CD1-CB 4.01Å; L312-D405 HydrophobicContact CD2-CB 4.14Å; L312-M406 HydrophobicContact CD2-SD 3.72Å; L312-L409 HydrophobicContact CD2-CB 4.25Å; L312-L409 HydrophobicContact CD2-CD2 4.12Å; L312-A494 HydrophobicContact CB-CB 4.41Å; L312-A494 HydrophobicContact CD2-CB 4.34Å; L312-A494 HydrophobicContact CG-CB 4.18Å
313	A	98.8	Very high	96.2	Very high	3 Å²	3	48 Å²	48	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-59.2	-40.6	173.9	0	0	0	0	0	111.2	T309 H316 T317 A494	T309-A313 WeakPolarHBondContact O-CB 3.26Å; T309-A313 PolarHBondContact O-N 3.19Å; A313-H316 PolarHBondContact O-N 3.05Å; A313-T317 VanDerWaalsContact O-CB 3.26Å; A313-T317 WeakPolarHBondContact O-CB 3.45Å; A313-T317 PolarHBondContact O-N 3.32Å; A313-T317 PolarHBondContact O-OG1 2.91Å; A313-A494 HydrophobicContact CB-CB 3.95Å
314	Y	98.6	Very high	95.8	Very high	45 Å²	45	48.3 Å²	48.3	18%	0.176	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-41.2	174.1	-165.6	-93.4	0	0	0	112.6	L251 E253 H254 I257 R310 G311 L312 L319 K326	L251-Y314 VanDerWaalsContact O-CE1 3.26Å; L251-Y314 WeakPolarHBondContact O-CE1 3.41Å; L251-Y314 PolarHBondContact O-OH 3.49Å; E253-Y314 PolarHBondContact O-OH 3.14Å; H254-Y314 HydrophobicContact CB-CD1 3.65Å; H254-Y314 HydrophobicContact CB-CD2 4.19Å; H254-Y314 HydrophobicContact CB-CE1 3.59Å; H254-Y314 HydrophobicContact CB-CE2 4.11Å; H254-Y314 HydrophobicContact CB-CG 3.95Å; H254-Y314 AromaticContact CD2-CD2 3.6Å; H254-Y314 AromaticContact CD2-CE2 3.85Å; H254-Y314 AromaticContact CD2-CG 3.96Å; H254-Y314 AromaticContact CG-CD1 3.87Å; H254-Y314 AromaticContact CG-CD2 3.74Å; H254-Y314 AromaticContact CG-CG 3.62Å; H254-Y314 AromaticContact ND1-CG 3.78Å; I257-Y314 HydrophobicContact CG1-CD1 4.47Å; R310-Y314 WeakPolarHBondContact O-CB 3.33Å; R310-Y314 PolarHBondContact O-N 3.27Å; R310-Y314 VanDerWaalsContact O-N 3.15Å; G311-Y314 WeakPolarHBondContact O-CB 3.47Å; G311-Y314 PolarHBondContact O-N 3.49Å; L312-Y314 VanDerWaalsContact C-N 3.28Å; L312-Y314 PolarHBondContact O-N 3.19Å; Y314-L319 HydrophobicContact CD2-CD1 4.43Å; Y314-L319 HydrophobicContact CE2-CD1 3.82Å; Y314-K326 HydrophobicContact CE1-CD 4.25Å; Y314-K326 WeakPolarHBondContact O-CE 3.26Å; Y314-K326 PolarHBondContact O-NZ 3.21Å
315	L	98.1	Very high	95.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-49.5	174.1	-70.3	167.4	0	0	0	111.6	M252 I257 G311 L312 T317 K326 I329 I349 F352	M252-L315 HydrophobicContact CE-CD2 3.77Å; M252-L315 HydrophobicContact SD-CD2 4.42Å; I257-L315 HydrophobicContact CD1-CD1 3.89Å; I257-L315 HydrophobicContact CD1-CD2 3.91Å; I257-L315 HydrophobicContact CD1-CG 3.69Å; G311-L315 PolarHBondContact O-N 3.15Å; L312-L315 HydrophobicContact CD1-CD1 4.37Å; L312-L315 WeakPolarHBondContact O-CB 3.49Å; L312-L315 PolarHBondContact O-N 3.05Å; L312-L315 VanDerWaalsContact O-N 3.13Å; L315-T317 VanDerWaalsContact C-N 3.26Å; L315-T317 PolarHBondContact O-N 3.39Å; L315-K326 PolarHBondContact O-NZ 3.04Å; L315-I329 CarbonylContact C-O 3.48Å; L315-I329 HydrophobicContact CD2-CB 4.48Å; L315-I329 HydrophobicContact CD2-CG2 4.41Å; L315-I329 PolarHBondContact O-N 2.76Å; L315-I349 HydrophobicContact CD1-CB 4.47Å; L315-I349 HydrophobicContact CD1-CD1 3.94Å; L315-I349 HydrophobicContact CD1-CG2 4.11Å; L315-F352 HydrophobicContact CD1-CE1 3.74Å; L315-F352 HydrophobicContact CD1-CZ 4.29Å; L315-F352 HydrophobicContact CD2-CD1 4.49Å; L315-F352 HydrophobicContact CD2-CE1 3.6Å; L315-F352 HydrophobicContact CD2-CZ 4.19Å; L315-F352 HydrophobicContact CG-CE1 4.33Å
316	H	97.9	Very high	95.2	Very high	14 Å²	14	52.2 Å²	52.2	7%	0.065	27%	0.269	C	S	.	.	H	α-helix	trans	-68.3	-20.3	-177.7	-75	-164.1	0	0	0	114.2	L312 A313 A328 I329 K402 D405 A494	L312-H316 WeakPolarHBondContact O-CB 3.49Å; L312-H316 PolarHBondContact O-N 2.81Å; A313-H316 PolarHBondContact O-N 3.05Å; H316-A328 VanDerWaalsContact O-CB 3.22Å; H316-A328 WeakPolarHBondContact O-CB 3.49Å; H316-I329 PolarHBondContact CD2-O 3.46Å; H316-K402 HydrophobicContact CB-CD 4.19Å; H316-K402 HydrophobicContact CB-CG 4.37Å; H316-K402 PolarHBondContact CE1-O 2.95Å; H316-K402 VanDerWaalsContact CE1-O 3.3Å; H316-K402 VanDerWaalsContact O-CE 3.28Å; H316-K402 WeakPolarHBondContact O-CE 3.43Å; H316-K402 PolarHBondContact O-NZ 2.87Å; H316-D405 IonicContact CD2-OD2 2.7Å; H316-D405 IonicContact CE1-OD2 3.19Å; H316-D405 IonicContact NE2-OD2 3.82Å; H316-D405 PolarHBondContact NE2-OD2 3.07Å; H316-A494 HydrophobicContact CB-CB 4.46Å
317	T	96.1	Very high	95	Very high	53 Å²	53	50.7 Å²	50.7	33%	0.325	26%	0.263	S	S	.	.	S	Bend	trans	-84.9	128.6	-179	-60.4	0	0	0	0	111.8	A313 L315 L319 K326	A313-T317 VanDerWaalsContact O-CB 3.26Å; A313-T317 WeakPolarHBondContact O-CB 3.45Å; A313-T317 PolarHBondContact O-N 3.32Å; A313-T317 PolarHBondContact O-OG1 2.91Å; L315-T317 VanDerWaalsContact C-N 3.26Å; L315-T317 PolarHBondContact O-N 3.39Å; T317-L319 HydrophobicContact CG2-CD2 3.63Å; T317-L319 HydrophobicContact CG2-CG 4.05Å; T317-K326 PolarHBondContact O-NZ 2.81Å
318	E	93.7	Very high	94.8	Very high	100 Å²	100	50.5 Å²	50.5	47%	0.467	26%	0.262	S	S	.	.			trans	-76.8	130	166.9	-177.5	-177.3	-139.5	0	0	109.9	Y325 K326	E318-Y325 HydrophobicContact CG-CE2 3.66Å; E318-Y325 WeakPolarHBondContact OE1-CE2 3.23Å; E318-Y325 VanDerWaalsContact OE1-CZ 3.29Å; E318-Y325 PolarHBondContact OE1-OH 3.04Å; E318-K326 CarbonylContact C-O 3.59Å; E318-K326 WeakPolarHBondContact CA-O 3.43Å
319	L	93.1	Very high	94.7	Very high	43 Å²	43	50.5 Å²	50.5	23%	0.225	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	100	-177.8	-60.3	173.7	0	0	0	111.8	L251 Y314 T317 K326	L251-L319 HydrophobicContact CD1-CB 4.2Å; Y314-L319 HydrophobicContact CD2-CD1 4.43Å; Y314-L319 HydrophobicContact CE2-CD1 3.82Å; T317-L319 HydrophobicContact CG2-CD2 3.63Å; T317-L319 HydrophobicContact CG2-CG 4.05Å; L319-K326 HydrophobicContact CB-CB 4.06Å; L319-K326 HydrophobicContact CB-CD 4.48Å; L319-K326 HydrophobicContact CD1-CD 4.03Å; L319-K326 HydrophobicContact CG-CD 4.37Å; L319-K326 PolarHBondContact N-O 3.12Å; L319-K326 PolarHBondContact O-N 3.35Å
320	P	91.1	Very high	94.5	Very high	102 Å²	102	50.5 Å²	50.5	66%	0.662	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	128.5	162.8	31.3	-31.5	0	0	0	110.8	Y325	P320-Y325 HydrophobicContact CB-CD2 4.5Å
321	R	89.6	Confident	94.5	Very high	168 Å²	168	46.5 Å²	46.5	63%	0.634	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-144.1	86.9	177.3	-170.4	-175.9	-70.5	-163.9	-0.5	111.5	L251 H324	L251-R321 HydrophobicContact CD1-CB 3.74Å; R321-H324 CarbonylContact C-O 3.56Å; R321-H324 PolarHBondContact N-O 3.08Å; R321-H324 PolarHBondContact O-N 2.88Å
322	G	88.5	Confident	94.3	Very high	78 Å²	78	47.9 Å²	47.9	80%	0.804	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	-133.8	-172.5	0	0	0	0	0	109.8	H324	G322-H324 PolarHBondContact O-N 2.79Å
323	D	88.9	Confident	94.2	Very high	170 Å²	170	48.5 Å²	48.5	91%	0.909	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.3	177.7	-48.6	-65	0	0	0	113.6
324	H	89.6	Confident	94.2	Very high	108 Å²	108	48.5 Å²	48.5	50%	0.5	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	133.1	176.9	-58.7	91	0	0	0	111.1	P250 L251 R321 G322	P250-H324 HydrophobicContact CB-CB 4.1Å; L251-H324 HydrophobicContact CD1-CB 4.29Å; L251-H324 HydrophobicContact CD2-CB 4.22Å; L251-H324 HydrophobicContact CG-CB 4.19Å; R321-H324 CarbonylContact C-O 3.56Å; R321-H324 PolarHBondContact N-O 3.08Å; R321-H324 PolarHBondContact O-N 2.88Å; G322-H324 PolarHBondContact O-N 2.79Å
325	Y	90.3	Very high	94.1	Very high	84 Å²	84	46.5 Å²	46.5	33%	0.329	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123	179.2	171.9	-101.9	0	0	0	111	E318 P320 P327 T359	E318-Y325 HydrophobicContact CG-CE2 3.66Å; E318-Y325 WeakPolarHBondContact OE1-CE2 3.23Å; E318-Y325 VanDerWaalsContact OE1-CZ 3.29Å; E318-Y325 PolarHBondContact OE1-OH 3.04Å; P320-Y325 HydrophobicContact CB-CD2 4.5Å; Y325-P327 HydrophobicContact CE1-CB 3.82Å; Y325-P327 HydrophobicContact CE1-CG 4.25Å; Y325-T359 HydrophobicContact CE1-CG2 4.34Å
326	K	94.3	Very high	94.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.8	168.5	-170.8	-154.9	161.4	-75.4	0	108.8	V249 P250 L251 Y314 L315 T317 E318 L319	V249-K326 HydrophobicContact CG1-CB 4.34Å; V249-K326 HydrophobicContact CG1-CG 3.86Å; P250-K326 VanDerWaalsContact O-CB 3.31Å; P250-K326 WeakPolarHBondContact O-CB 3.25Å; L251-K326 HydrophobicContact CB-CB 4.22Å; L251-K326 HydrophobicContact CD1-CB 4.38Å; Y314-K326 HydrophobicContact CE1-CD 4.25Å; Y314-K326 WeakPolarHBondContact O-CE 3.26Å; Y314-K326 PolarHBondContact O-NZ 3.21Å; L315-K326 PolarHBondContact O-NZ 3.04Å; T317-K326 PolarHBondContact O-NZ 2.81Å; E318-K326 CarbonylContact C-O 3.59Å; E318-K326 WeakPolarHBondContact CA-O 3.43Å; L319-K326 HydrophobicContact CB-CB 4.06Å; L319-K326 HydrophobicContact CB-CD 4.48Å; L319-K326 HydrophobicContact CD1-CD 4.03Å; L319-K326 HydrophobicContact CG-CD 4.37Å; L319-K326 PolarHBondContact N-O 3.12Å; L319-K326 PolarHBondContact O-N 3.35Å
327	P	93.3	Very high	94	Very high	7 Å²	7	52.3 Å²	52.3	5%	0.045	27%	0.268	C	S	.	.			trans	-62.9	163.3	167.3	26.8	-34.4	0	0	0	111.5	V249 Y325 R357 L358 T359	V249-P327 HydrophobicContact CG1-CG 4.41Å; Y325-P327 HydrophobicContact CE1-CB 3.82Å; Y325-P327 HydrophobicContact CE1-CG 4.25Å; P327-R357 HydrophobicContact CB-CB 4.5Å; P327-R357 HydrophobicContact CG-CB 4.06Å; P327-R357 HydrophobicContact CG-CG 4.18Å; P327-L358 VanDerWaalsContact CB-O 3.3Å; P327-L358 WeakPolarHBondContact CB-O 3.33Å; P327-T359 WeakPolarHBondContact CB-OG1 3.49Å
328	A	94.9	Very high	94.1	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	148.2	160.4	0	0	0	0	0	109.8	H316 L358	H316-A328 VanDerWaalsContact O-CB 3.22Å; H316-A328 WeakPolarHBondContact O-CB 3.49Å; A328-L358 HydrophobicContact CB-CB 4.09Å; A328-L358 HydrophobicContact CB-CD1 4.35Å; A328-L358 PolarHBondContact O-N 2.77Å
329	I	96.1	Very high	94.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	127.9	-177.7	-63.9	168	0	0	0	108.5	I246 V249 M252 L315 H316 M356 R357	I246-I329 HydrophobicContact CD1-CG2 4.3Å; I246-I329 HydrophobicContact CG2-CD1 4.38Å; I246-I329 HydrophobicContact CG2-CG2 4.44Å; V249-I329 HydrophobicContact CG1-CD1 4.47Å; V249-I329 HydrophobicContact CG2-CD1 4.43Å; M252-I329 HydrophobicContact CE-CD1 4.07Å; M252-I329 HydrophobicContact SD-CD1 3.53Å; M252-I329 VanDerWaalsContact SD-CD1 3.53Å; L315-I329 CarbonylContact C-O 3.48Å; L315-I329 HydrophobicContact CD2-CB 4.48Å; L315-I329 HydrophobicContact CD2-CG2 4.41Å; L315-I329 PolarHBondContact O-N 2.76Å; H316-I329 PolarHBondContact CD2-O 3.46Å; I329-M356 VanDerWaalsContact CA-O 3.27Å; I329-M356 WeakPolarHBondContact CA-O 3.42Å; I329-R357 HydrophobicContact CG1-CG 4.44Å
330	S	96.3	Very high	94.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.9	167.1	52.1	0	0	0	0	110.8	S355 M356 D405	S330-S355 CarbonylContact O-C 3.58Å; S330-S355 WeakPolarHBondContact O-CA 3.15Å; S330-S355 WeakPolarHBondContact O-CB 3.38Å; S330-M356 PolarHBondContact N-O 2.83Å; S330-M356 PolarHBondContact O-N 2.89Å; S330-D405 VanDerWaalsContact CA-OD2 3.26Å; S330-D405 WeakPolarHBondContact CA-OD2 3.26Å; S330-D405 WeakPolarHBondContact CB-OD2 3.34Å
331	H	97.6	Very high	95	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.			trans	-78.8	-44.1	-176.1	-162.6	-95.1	0	0	0	112	D333 L334 I349 S350 F352 S355 D405	H331-D333 PolarHBondContact CE1-O 3.01Å; H331-D333 PolarHBondContact ND1-O 2.71Å; H331-D333 PolarHBondContact O-N 2.73Å; H331-L334 HydrophobicContact CB-CB 4.25Å; H331-L334 WeakPolarHBondContact ND1-CA 3.11Å; H331-L334 PolarHBondContact ND1-N 3.15Å; H331-L334 VanDerWaalsContact ND1-N 3.19Å; H331-I349 VanDerWaalsContact CD2-CG2 3.43Å; H331-I349 WeakPolarHBondContact CD2-CG2 3.3Å; H331-I349 VanDerWaalsContact NE2-CG2 3.35Å; H331-I349 WeakPolarHBondContact NE2-CG2 3.22Å; H331-S350 PolarHBondContact CE1-O 2.82Å; H331-S350 PolarHBondContact NE2-O 2.85Å; H331-S350 VanDerWaalsContact NE2-O 3.14Å; H331-F352 AromaticContact CD2-CD1 3.8Å; H331-F352 AromaticContact CD2-CE1 3.63Å; H331-F352 AromaticContact NE2-CE1 3.96Å; H331-S355 WeakPolarHBondContact CA-OG 3.44Å; H331-S355 WeakPolarHBondContact O-CA 3.3Å; H331-S355 PolarHBondContact O-OG 2.78Å; H331-D405 WeakPolarHBondContact CB-OD1 3.48Å; H331-D405 PolarHBondContact N-OD1 2.79Å; H331-D405 PolarHBondContact N-OD2 3.49Å
332	R	95.3	Very high	95.4	Very high	29 Å²	29	34.7 Å²	34.7	11%	0.109	18%	0.18	C	C	.	.	S	Bend	trans	65.6	-7.5	177.3	-58.4	174.5	65.2	-132.9	7.4	116.6	L354 A373 I374 V377 G378 D405	R332-L354 HydrophobicContact CB-CB 4.44Å; R332-L354 WeakPolarHBondContact CD-O 3.42Å; R332-L354 PolarHBondContact NH1-O 2.9Å; R332-A373 PolarHBondContact NH2-O 3.42Å; R332-A373 VanDerWaalsContact NH2-O 3.13Å; R332-I374 VanDerWaalsContact NH2-CA 3.31Å; R332-I374 PolarHBondContact NH2-O 3.45Å; R332-V377 HydrophobicContact CB-CG2 4.38Å; R332-G378 WeakPolarHBondContact O-CA 3.49Å; R332-D405 PolarHBondContact N-OD1 2.92Å
333	D	96.1	Very high	95.7	Very high	14 Å²	14	36.9 Å²	36.9	8%	0.075	17%	0.174	C	C	.	.	S	Bend	trans	-141.4	50.8	164.9	-170	29.1	0	0	0	110.8	H331 N335 N338 L354 T379	H331-D333 PolarHBondContact CE1-O 3.01Å; H331-D333 PolarHBondContact ND1-O 2.71Å; H331-D333 PolarHBondContact O-N 2.73Å; D333-N335 PolarHBondContact O-N 2.89Å; D333-N335 PolarHBondContact O-ND2 3.36Å; D333-N335 PolarHBondContact OD1-ND2 2.96Å; D333-N335 VanDerWaalsContact OD1-ND2 3.1Å; D333-N338 PolarHBondContact O-ND2 3.24Å; D333-N338 PolarHBondContact OD2-ND2 2.93Å; D333-L354 HydrophobicContact CB-CD1 3.89Å; D333-T379 VanDerWaalsContact OD1-CB 3.25Å; D333-T379 WeakPolarHBondContact OD1-CB 3.26Å; D333-T379 PolarHBondContact OD1-N 3.48Å; D333-T379 PolarHBondContact OD1-OG1 3.08Å
334	L	98.2	Very high	96	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	16%	0.155	C	C	.	.			trans	-73.3	123.7	176.3	-172.7	67.3	0	0	0	109.2	L312 H331 V339 I349 D405 A408 L409 I412	L312-L334 HydrophobicContact CD1-CD2 4.12Å; L312-L334 HydrophobicContact CD2-CD2 3.8Å; H331-L334 HydrophobicContact CB-CB 4.25Å; H331-L334 WeakPolarHBondContact ND1-CA 3.11Å; H331-L334 PolarHBondContact ND1-N 3.15Å; H331-L334 VanDerWaalsContact ND1-N 3.19Å; L334-V339 HydrophobicContact CD1-CG2 4.39Å; L334-I349 HydrophobicContact CD1-CD1 4.25Å; L334-I349 HydrophobicContact CD1-CG2 4.3Å; L334-D405 HydrophobicContact CD2-CB 4.44Å; L334-A408 HydrophobicContact CB-CB 4.13Å; L334-A408 WeakPolarHBondContact O-CB 3.23Å; L334-L409 HydrophobicContact CD2-CB 4.19Å; L334-L409 HydrophobicContact CD2-CD1 4.46Å; L334-I412 HydrophobicContact CD1-CD1 4.38Å; L334-I412 HydrophobicContact CD2-CD1 4.33Å; L334-I412 HydrophobicContact CG-CD1 3.88Å
335	N	97.7	Very high	96.3	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.011	14%	0.14	C	C	.	.	S	Bend	trans	-161.6	168	177.1	62.9	67.4	0	0	0	109.8	D333 R337 N338 V339 T379 Y382	D333-N335 PolarHBondContact O-N 2.89Å; D333-N335 PolarHBondContact O-ND2 3.36Å; D333-N335 PolarHBondContact OD1-ND2 2.96Å; D333-N335 VanDerWaalsContact OD1-ND2 3.1Å; N335-R337 PolarHBondContact O-N 3.05Å; N335-R337 VanDerWaalsContact O-N 3.16Å; N335-R337 WeakPolarHBondContact OD1-CA 3.47Å; N335-R337 VanDerWaalsContact OD1-CB 3.22Å; N335-R337 WeakPolarHBondContact OD1-CB 3.32Å; N335-R337 PolarHBondContact OD1-N 3.29Å; N335-N338 PolarHBondContact ND2-ND2 3.14Å; N335-N338 PolarHBondContact O-N 2.78Å; N335-N338 VanDerWaalsContact O-N 3.13Å; N335-N338 PolarHBondContact OD1-N 3.4Å; N335-V339 PolarHBondContact O-N 3.08Å; N335-T379 PolarHBondContact ND2-OG1 2.84Å; N335-Y382 HydrophobicContact CB-CD1 4.05Å; N335-Y382 HydrophobicContact CB-CD2 3.63Å; N335-Y382 HydrophobicContact CB-CE1 4.01Å; N335-Y382 HydrophobicContact CB-CE2 3.58Å; N335-Y382 HydrophobicContact CB-CG 3.87Å
336	S	97.9	Very high	96.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-10	-178.1	59.2	0	0	0	0	115	L287 C288 Y382 E415 Y432	L287-S336 CarbonylContact C-O 3.47Å; L287-S336 WeakPolarHBondContact CB-O 3.42Å; L287-S336 PolarHBondContact N-O 2.81Å; C288-S336 WeakPolarHBondContact CB-O 3.47Å; C288-S336 PolarHBondContact N-O 3.23Å; S336-Y382 PolarHBondContact OG-OH 3.13Å; S336-E415 WeakPolarHBondContact CB-OE2 3.39Å; S336-E415 PolarHBondContact OG-OE2 2.88Å; S336-Y432 PolarHBondContact OG-OH 3.08Å
337	R	96.2	Very high	96.9	Very high	137 Å²	137	26.2 Å²	26.2	52%	0.517	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-32.4	172.2	-52.2	-179.2	179.8	-139	0.2	111.7	S286 C288 N335 M434	S286-R337 WeakPolarHBondContact CB-O 3.29Å; C288-R337 HydrophobicContact CB-CG 3.9Å; N335-R337 PolarHBondContact O-N 3.05Å; N335-R337 VanDerWaalsContact O-N 3.16Å; N335-R337 WeakPolarHBondContact OD1-CA 3.47Å; N335-R337 VanDerWaalsContact OD1-CB 3.22Å; N335-R337 WeakPolarHBondContact OD1-CB 3.32Å; N335-R337 PolarHBondContact OD1-N 3.29Å; R337-M434 PolarHBondContact NH2-SD 2.93Å
338	N	97.6	Very high	97.1	Very high	20 Å²	20	25.9 Å²	25.9	11%	0.107	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-9.8	-179.8	-67.4	-6.7	0	0	0	112.9	D333 N335 S350 D351	D333-N338 PolarHBondContact O-ND2 3.24Å; D333-N338 PolarHBondContact OD2-ND2 2.93Å; N335-N338 PolarHBondContact ND2-ND2 3.14Å; N335-N338 PolarHBondContact O-N 2.78Å; N335-N338 VanDerWaalsContact O-N 3.13Å; N335-N338 PolarHBondContact OD1-N 3.4Å; N338-S350 CarbonylContact O-C 3.6Å; N338-S350 WeakPolarHBondContact O-CA 3.5Å; N338-S350 PolarHBondContact O-N 3.15Å; N338-S350 VanDerWaalsContact O-O 3.12Å; N338-S350 PolarHBondContact O-OG 3Å; N338-D351 HydrophobicContact CB-CB 4.34Å
339	V	98.7	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.7	163.1	176.1	0	0	0	0	110	S286 L287 V308 L334 N335 C347 V348 I412	S286-V339 CarbonylContact C-O 3.48Å; S286-V339 WeakPolarHBondContact CA-O 3.17Å; S286-V339 WeakPolarHBondContact CB-O 3.44Å; L287-V339 HydrophobicContact CB-CB 4Å; L287-V339 HydrophobicContact CB-CG1 3.87Å; L287-V339 HydrophobicContact CD2-CB 4.33Å; L287-V339 HydrophobicContact CD2-CG1 4.05Å; L287-V339 PolarHBondContact N-O 3.25Å; V308-V339 HydrophobicContact CG1-CG2 4.07Å; V308-V339 HydrophobicContact CG2-CB 4.49Å; V308-V339 HydrophobicContact CG2-CG1 3.56Å; V308-V339 HydrophobicContact CG2-CG2 4.1Å; L334-V339 HydrophobicContact CD1-CG2 4.39Å; N335-V339 PolarHBondContact O-N 3.08Å; V339-C347 HydrophobicContact CG1-CB 3.73Å; V339-V348 WeakPolarHBondContact CA-O 3.18Å; V339-I412 HydrophobicContact CG2-CD1 4.34Å
340	L	98.5	Very high	97.4	Very high	37 Å²	37	26.4 Å²	26.4	19%	0.194	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	149.1	174.1	-47.6	177.3	0	0	0	111.6	Y282 G285 C347 V348	Y282-L340 HydrophobicContact CD2-CB 4.26Å; Y282-L340 HydrophobicContact CD2-CD1 3.57Å; Y282-L340 HydrophobicContact CE2-CD1 4.3Å; Y282-L340 HydrophobicContact CG-CB 4.29Å; Y282-L340 HydrophobicContact CG-CD1 4.33Å; G285-L340 CarbonylContact O-C 3.58Å; G285-L340 WeakPolarHBondContact O-CA 3.36Å; L340-C347 CarbonylContact O-C 3.48Å; L340-C347 VanDerWaalsContact O-CA 3.26Å; L340-C347 WeakPolarHBondContact O-CA 3.31Å; L340-V348 HydrophobicContact CB-CG2 3.76Å; L340-V348 HydrophobicContact CG-CG2 4.45Å; L340-V348 PolarHBondContact N-O 3.16Å; L340-V348 PolarHBondContact O-N 3.43Å
341	V	98.7	Very high	97.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.2	-178.2	-176	0	0	0	0	110.4	N284 G285 L287 Y290 L304	N284-V341 HydrophobicContact CB-CB 3.99Å; N284-V341 HydrophobicContact CB-CG1 4.16Å; N284-V341 WeakPolarHBondContact CB-O 3.36Å; G285-V341 PolarHBondContact O-N 3.43Å; L287-V341 HydrophobicContact CB-CG2 4.1Å; L287-V341 HydrophobicContact CD1-CG2 3.89Å; Y290-V341 HydrophobicContact CD1-CG1 4.48Å; Y290-V341 HydrophobicContact CD1-CG2 4.32Å; Y290-V341 HydrophobicContact CD2-CB 4.4Å; Y290-V341 HydrophobicContact CD2-CG1 4.09Å; Y290-V341 HydrophobicContact CE2-CG1 4.23Å; Y290-V341 HydrophobicContact CG-CB 4.32Å; Y290-V341 HydrophobicContact CG-CG1 4.21Å; Y290-V341 HydrophobicContact CG-CG2 4Å; L304-V341 HydrophobicContact CD2-CG1 3.97Å; L304-V341 HydrophobicContact CD2-CG2 4.21Å
342	K	97.8	Very high	97.2	Very high	38 Å²	38	27.6 Å²	27.6	17%	0.165	14%	0.139	C	C	.	.			trans	-89	172.2	175.4	-59.2	-170.7	-153	151.3	0	112.4	D255 Y282 N284 D344 G345 T346 V348	D255-K342 WeakPolarHBondContact O-CE 3.24Å; D255-K342 PolarHBondContact O-NZ 3.44Å; Y282-K342 HydrophobicContact CD1-CG 3.98Å; Y282-K342 HydrophobicContact CE1-CG 4.01Å; N284-K342 PolarHBondContact ND2-O 2.97Å; K342-D344 VanDerWaalsContact CB-OD1 3.29Å; K342-D344 WeakPolarHBondContact CB-OD1 3.26Å; K342-D344 PolarHBondContact O-N 3.44Å; K342-G345 PolarHBondContact O-N 3.5Å; K342-T346 WeakPolarHBondContact CB-O 3.27Å; K342-T346 WeakPolarHBondContact CD-OG1 3.44Å; K342-T346 WeakPolarHBondContact CE-OG1 3.17Å; K342-T346 WeakPolarHBondContact CG-O 3.25Å; K342-T346 PolarHBondContact N-O 2.91Å; K342-T346 PolarHBondContact NZ-OG1 3.26Å; K342-V348 HydrophobicContact CD-CG1 4.43Å; K342-V348 VanDerWaalsContact CE-CG1 3.41Å; K342-V348 HydrophobicContact CG-CG1 4.3Å
343	N	95.9	Very high	97.1	Very high	125 Å²	125	26.3 Å²	26.3	67%	0.668	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.5	174.9	-61.2	-0.6	0	0	0	113.9	P283	P283-N343 WeakPolarHBondContact CD-OD1 3.28Å
344	D	95.7	Very high	96.9	Very high	95 Å²	95	26.3 Å²	26.3	51%	0.508	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	4.8	179.1	68	-0.8	0	0	0	113.7	K342 T346	K342-D344 VanDerWaalsContact CB-OD1 3.29Å; K342-D344 WeakPolarHBondContact CB-OD1 3.26Å; K342-D344 PolarHBondContact O-N 3.44Å; D344-T346 VanDerWaalsContact C-N 3.26Å; D344-T346 VanDerWaalsContact CG-OG1 3.28Å; D344-T346 PolarHBondContact O-N 3.27Å; D344-T346 VanDerWaalsContact OD1-CB 3.31Å; D344-T346 WeakPolarHBondContact OD1-CB 3.17Å; D344-T346 PolarHBondContact OD1-N 3.42Å; D344-T346 PolarHBondContact OD1-OG1 3.22Å; D344-T346 PolarHBondContact OD2-OG1 3.28Å
345	G	95.1	Very high	96.8	Very high	19 Å²	19	26.3 Å²	26.3	20%	0.196	14%	0.135	C	C	.	.	S	Bend	trans	73	12.4	-175.3	0	0	0	0	0	114.5	R303 L304 K342	R303-G345 WeakPolarHBondContact CD-O 3.46Å; R303-G345 WeakPolarHBondContact CG-O 3.41Å; L304-G345 WeakPolarHBondContact CD2-O 3.22Å; K342-G345 PolarHBondContact O-N 3.5Å
346	T	98.3	Very high	96.5	Very high	24 Å²	24	28.6 Å²	28.6	15%	0.147	15%	0.146	C	C	.	.			trans	-94.4	158	166.6	70.6	0	0	0	0	111.4	R303 K342 D344	R303-T346 HydrophobicContact CG-CG2 4.08Å; K342-T346 WeakPolarHBondContact CB-O 3.27Å; K342-T346 WeakPolarHBondContact CD-OG1 3.44Å; K342-T346 WeakPolarHBondContact CE-OG1 3.17Å; K342-T346 WeakPolarHBondContact CG-O 3.25Å; K342-T346 PolarHBondContact N-O 2.91Å; K342-T346 PolarHBondContact NZ-OG1 3.26Å; D344-T346 VanDerWaalsContact C-N 3.26Å; D344-T346 VanDerWaalsContact CG-OG1 3.28Å; D344-T346 PolarHBondContact O-N 3.27Å; D344-T346 VanDerWaalsContact OD1-CB 3.31Å; D344-T346 WeakPolarHBondContact OD1-CB 3.17Å; D344-T346 PolarHBondContact OD1-N 3.42Å; D344-T346 PolarHBondContact OD1-OG1 3.22Å; D344-T346 PolarHBondContact OD2-OG1 3.28Å
347	C	98.8	Very high	96.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	161.2	-179.1	-66.5	0	0	0	0	112.8	N256 L304 S307 V308 V339 L340	N256-C347 PolarHBondContact ND2-O 2.89Å; L304-C347 VanDerWaalsContact CD2-SG 3.53Å; S307-C347 WeakPolarHBondContact OG-CB 3.42Å; S307-C347 PolarHBondContact OG-N 3.5Å; V308-C347 HydrophobicContact CG2-CB 3.46Å; V308-C347 VanDerWaalsContact CG2-CB 3.46Å; V339-C347 HydrophobicContact CG1-CB 3.73Å; L340-C347 CarbonylContact O-C 3.48Å; L340-C347 VanDerWaalsContact O-CA 3.26Å; L340-C347 WeakPolarHBondContact O-CA 3.31Å
348	V	98.8	Very high	95.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.3	164.6	-60.3	0	0	0	0	110.8	N256 A258 Y282 V339 L340 K342	N256-V348 CarbonylContact O-C 3.59Å; N256-V348 WeakPolarHBondContact O-CA 3.37Å; A258-V348 HydrophobicContact CB-CB 4.3Å; A258-V348 HydrophobicContact CB-CG2 3.84Å; Y282-V348 HydrophobicContact CD1-CG2 4.45Å; Y282-V348 HydrophobicContact CD2-CG2 4.18Å; Y282-V348 HydrophobicContact CE1-CG1 4.36Å; Y282-V348 HydrophobicContact CE1-CG2 4.22Å; Y282-V348 HydrophobicContact CE2-CG2 3.9Å; Y282-V348 HydrophobicContact CG-CG2 4.45Å; V339-V348 WeakPolarHBondContact CA-O 3.18Å; L340-V348 HydrophobicContact CB-CG2 3.76Å; L340-V348 HydrophobicContact CG-CG2 4.45Å; L340-V348 PolarHBondContact N-O 3.16Å; L340-V348 PolarHBondContact O-N 3.43Å; K342-V348 HydrophobicContact CD-CG1 4.43Å; K342-V348 VanDerWaalsContact CE-CG1 3.41Å; K342-V348 HydrophobicContact CG-CG1 4.3Å
349	I	98.8	Very high	94.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	140.4	171.9	-58.5	178.2	0	0	0	110.1	N256 I257 A258 L312 L315 H331 L334 F352	N256-I349 PolarHBondContact O-N 2.83Å; I257-I349 HydrophobicContact CD1-CB 4.26Å; A258-I349 WeakPolarHBondContact CB-O 3.25Å; A258-I349 PolarHBondContact N-O 3.14Å; L312-I349 HydrophobicContact CB-CD1 3.99Å; L312-I349 HydrophobicContact CD1-CD1 4.39Å; L315-I349 HydrophobicContact CD1-CB 4.47Å; L315-I349 HydrophobicContact CD1-CD1 3.94Å; L315-I349 HydrophobicContact CD1-CG2 4.11Å; H331-I349 VanDerWaalsContact CD2-CG2 3.43Å; H331-I349 WeakPolarHBondContact CD2-CG2 3.3Å; H331-I349 VanDerWaalsContact NE2-CG2 3.35Å; H331-I349 WeakPolarHBondContact NE2-CG2 3.22Å; L334-I349 HydrophobicContact CD1-CD1 4.25Å; L334-I349 HydrophobicContact CD1-CG2 4.3Å; I349-F352 HydrophobicContact CB-CZ 4.4Å; I349-F352 HydrophobicContact CG2-CE1 4.23Å; I349-F352 HydrophobicContact CG2-CZ 3.97Å
350	S	97	Very high	92.4	Very high	11 Å²	11	33 Å²	33	8%	0.077	18%	0.184	C	C	.	.			trans	-147	173.5	-177.9	71.2	0	0	0	0	112.2	H331 N338	H331-S350 PolarHBondContact CE1-O 2.82Å; H331-S350 PolarHBondContact NE2-O 2.85Å; H331-S350 VanDerWaalsContact NE2-O 3.14Å; N338-S350 CarbonylContact O-C 3.6Å; N338-S350 WeakPolarHBondContact O-CA 3.5Å; N338-S350 PolarHBondContact O-N 3.15Å; N338-S350 VanDerWaalsContact O-O 3.12Å; N338-S350 PolarHBondContact O-OG 3Å
351	D	95	Very high	89.7	Confident	25 Å²	25	39.4 Å²	39.4	13%	0.134	22%	0.219	C	C	.	.			trans	65.9	64.9	-173.6	-150.5	-31.1	0	0	0	114.7	K230 N338 G353	K230-D351 WeakPolarHBondContact CE-OD2 3.35Å; K230-D351 IonicContact NZ-OD1 2.74Å; K230-D351 PolarHBondContact NZ-OD1 3.19Å; K230-D351 IonicContact NZ-OD2 3.94Å; K230-D351 PolarHBondContact NZ-OD2 2.63Å; N338-D351 HydrophobicContact CB-CB 4.34Å; D351-G353 PolarHBondContact O-N 3.42Å; D351-G353 VanDerWaalsContact O-N 3.13Å; D351-G353 PolarHBondContact OD1-N 2.96Å
352	F	96.1	Very high	87.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-79.1	19	175.5	-58.2	-85	0	0	0	113.8	N242 E243 I246 Y247 I257 L315 H331 I349 L354 S355	N242-F352 PolarHBondContact ND2-O 3.38Å; E243-F352 HydrophobicContact CG-CB 4.02Å; I246-F352 HydrophobicContact CB-CB 3.88Å; I246-F352 HydrophobicContact CB-CG 4.47Å; I246-F352 HydrophobicContact CG1-CB 4.39Å; I246-F352 HydrophobicContact CG2-CB 3.62Å; I246-F352 HydrophobicContact CG2-CD1 3.7Å; I246-F352 HydrophobicContact CG2-CG 3.71Å; Y247-F352 HydrophobicContact CD1-CD2 4.25Å; Y247-F352 HydrophobicContact CD1-CE2 4.33Å; Y247-F352 HydrophobicContact CD2-CD2 4.34Å; Y247-F352 AromaticContact CE1-CD2 3.63Å; Y247-F352 HydrophobicContact CE1-CD2 3.63Å; Y247-F352 AromaticContact CE1-CE2 3.5Å; Y247-F352 HydrophobicContact CE1-CE2 3.5Å; Y247-F352 VanDerWaalsContact CE1-CE2 3.5Å; Y247-F352 AromaticContact CE2-CD2 3.74Å; Y247-F352 HydrophobicContact CE2-CD2 3.74Å; Y247-F352 HydrophobicContact CE2-CE2 4.38Å; Y247-F352 AromaticContact CZ-CD2 3.36Å; Y247-F352 AromaticContact CZ-CE2 3.54Å; Y247-F352 WeakPolarHBondContact OH-CE2 3.25Å; I257-F352 HydrophobicContact CD1-CZ 4.34Å; I257-F352 HydrophobicContact CG2-CE2 4.13Å; I257-F352 HydrophobicContact CG2-CZ 3.96Å; L315-F352 HydrophobicContact CD1-CE1 3.74Å; L315-F352 HydrophobicContact CD1-CZ 4.29Å; L315-F352 HydrophobicContact CD2-CD1 4.49Å; L315-F352 HydrophobicContact CD2-CE1 3.6Å; L315-F352 HydrophobicContact CD2-CZ 4.19Å; L315-F352 HydrophobicContact CG-CE1 4.33Å; H331-F352 AromaticContact CD2-CD1 3.8Å; H331-F352 AromaticContact CD2-CE1 3.63Å; H331-F352 AromaticContact NE2-CE1 3.96Å; I349-F352 HydrophobicContact CB-CZ 4.4Å; I349-F352 HydrophobicContact CG2-CE1 4.23Å; I349-F352 HydrophobicContact CG2-CZ 3.97Å; F352-L354 VanDerWaalsContact C-N 3.26Å; F352-L354 PolarHBondContact O-N 3.07Å; F352-S355 WeakPolarHBondContact CA-OG 3.28Å; F352-S355 WeakPolarHBondContact CD1-OG 3.48Å; F352-S355 PolarHBondContact O-N 3.18Å
353	G	92.6	Very high	84.6	Confident	2 Å²	2	50.3 Å²	50.3	2%	0.021	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-58.5	-35.9	-177.6	0	0	0	0	0	113.5	N242 D351	N242-G353 PolarHBondContact ND2-O 3.5Å; D351-G353 PolarHBondContact O-N 3.42Å; D351-G353 VanDerWaalsContact O-N 3.13Å; D351-G353 PolarHBondContact OD1-N 2.96Å
354	L	92.3	Very high	82.1	Confident	15 Å²	15	46.3 Å²	46.3	8%	0.079	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-99.3	-6	178	-72.2	177.6	0	0	0	114.8	Y214 R332 D333 F352 V377	Y214-L354 HydrophobicContact CE2-CD1 4.49Å; Y214-L354 HydrophobicContact CE2-CG 4.23Å; Y214-L354 WeakPolarHBondContact OH-CD1 3.25Å; Y214-L354 WeakPolarHBondContact OH-CD2 3.36Å; Y214-L354 WeakPolarHBondContact OH-CG 3.26Å; R332-L354 HydrophobicContact CB-CB 4.44Å; R332-L354 WeakPolarHBondContact CD-O 3.42Å; R332-L354 PolarHBondContact NH1-O 2.9Å; D333-L354 HydrophobicContact CB-CD1 3.89Å; F352-L354 VanDerWaalsContact C-N 3.26Å; F352-L354 PolarHBondContact O-N 3.07Å; L354-V377 HydrophobicContact CB-CG2 4.44Å; L354-V377 HydrophobicContact CD1-CB 3.86Å; L354-V377 HydrophobicContact CD1-CG2 4.02Å; L354-V377 HydrophobicContact CD2-CB 3.86Å; L354-V377 HydrophobicContact CD2-CG1 4.11Å; L354-V377 HydrophobicContact CD2-CG2 4.05Å; L354-V377 HydrophobicContact CG-CB 4.43Å; L354-V377 HydrophobicContact CG-CG2 4.41Å
355	S	94.4	Very high	79.2	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.014	25%	0.249	C	C	.	.			trans	-69.2	151.1	-170.5	-55.9	0	0	0	0	113.1	N242 S330 H331 F352	N242-S355 PolarHBondContact ND2-O 3.08Å; S330-S355 CarbonylContact O-C 3.58Å; S330-S355 WeakPolarHBondContact O-CA 3.15Å; S330-S355 WeakPolarHBondContact O-CB 3.38Å; H331-S355 WeakPolarHBondContact CA-OG 3.44Å; H331-S355 WeakPolarHBondContact O-CA 3.3Å; H331-S355 PolarHBondContact O-OG 2.78Å; F352-S355 WeakPolarHBondContact CA-OG 3.28Å; F352-S355 WeakPolarHBondContact CD1-OG 3.48Å; F352-S355 PolarHBondContact O-N 3.18Å
356	M	91.9	Very high	76.3	Confident	50 Å²	50	55.3 Å²	55.3	25%	0.246	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.3	-172	-172.5	-179.6	-67.3	0	0	111.5	I329 S330 L358 I374 L401	I329-M356 VanDerWaalsContact CA-O 3.27Å; I329-M356 WeakPolarHBondContact CA-O 3.42Å; S330-M356 PolarHBondContact N-O 2.83Å; S330-M356 PolarHBondContact O-N 2.89Å; M356-L358 HydrophobicContact CG-CD2 4.37Å; M356-L358 HydrophobicContact SD-CD2 4.44Å; M356-I374 HydrophobicContact CE-CD1 4.43Å; M356-I374 HydrophobicContact CE-CG1 4.13Å; M356-I374 HydrophobicContact CE-CG2 4.21Å; M356-L401 HydrophobicContact CE-CD1 4.38Å; M356-L401 HydrophobicContact SD-CD1 3.63Å
357	R	91.7	Very high	73.5	Confident	120 Å²	120	58 Å²	58	45%	0.453	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.1	170	-57.5	178.2	-174.4	179.2	-2.7	109.5	N245 I246 V249 P327 I329	N245-R357 PolarHBondContact O-NH2 2.86Å; I246-R357 HydrophobicContact CD1-CG 3.73Å; V249-R357 HydrophobicContact CG2-CG 4.48Å; V249-R357 VanDerWaalsContact CG2-CZ 3.42Å; P327-R357 HydrophobicContact CB-CB 4.5Å; P327-R357 HydrophobicContact CG-CB 4.06Å; P327-R357 HydrophobicContact CG-CG 4.18Å; I329-R357 HydrophobicContact CG1-CG 4.44Å
358	L	87.4	Confident	70.7	Confident	7 Å²	7	62.8 Å²	62.8	4%	0.037	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.6	-179.8	-47.1	171.5	0	0	0	107.1	P327 A328 M356 E398 L401 K402	P327-L358 VanDerWaalsContact CB-O 3.3Å; P327-L358 WeakPolarHBondContact CB-O 3.33Å; A328-L358 HydrophobicContact CB-CB 4.09Å; A328-L358 HydrophobicContact CB-CD1 4.35Å; A328-L358 PolarHBondContact O-N 2.77Å; M356-L358 HydrophobicContact CG-CD2 4.37Å; M356-L358 HydrophobicContact SD-CD2 4.44Å; L358-E398 HydrophobicContact CB-CB 4.26Å; L358-E398 HydrophobicContact CB-CG 3.89Å; L358-E398 HydrophobicContact CD1-CG 3.95Å; L358-E398 HydrophobicContact CG-CG 4.48Å; L358-L401 HydrophobicContact CD2-CB 4.43Å; L358-L401 HydrophobicContact CD2-CD1 3.96Å; L358-K402 HydrophobicContact CD1-CG 3.97Å
359	T	68.5	Low	67.8	Low	78 Å²	78	71.9 Å²	71.9	48%	0.479	38%	0.38	S	S	.	.			trans	-152.3	72.2	-168.8	-49.5	0	0	0	0	111.6	Y325 P327	Y325-T359 HydrophobicContact CE1-CG2 4.34Å; P327-T359 WeakPolarHBondContact CB-OG1 3.49Å
360	G	58	Low	65.4	Low	44 Å²	44	76.5 Å²	76.5	45%	0.454	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	-164.8	173.1	0	0	0	0	0	115	R362	G360-R362 PolarHBondContact O-N 2.79Å
361	N	41	Very low	63	Low	173 Å²	173	79 Å²	79	93%	0.925	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	8.6	-170.4	-62.4	27.6	0	0	0	116	L363	N361-L363 PolarHBondContact O-N 3.19Å
362	R	43.2	Very low	60.7	Low	196 Å²	196	79.9 Å²	79.9	74%	0.74	43%	0.429	S	S	*	.			trans	-82.8	74.2	176	-168	-178.9	163	-167.8	-11.8	110.7	G360	G360-R362 PolarHBondContact O-N 2.79Å
363	L	45.3	Very low	58.7	Low	71 Å²	71	82.5 Å²	82.5	37%	0.372	45%	0.45	S	S	.	.			trans	-55.7	161.5	159.9	-100.2	165.7	0	0	0	112.3	N361 L394 C397	N361-L363 PolarHBondContact O-N 3.19Å; L363-L394 WeakPolarHBondContact CD1-O 3.42Å; L363-L394 VanDerWaalsContact CD2-O 3.3Å; L363-L394 WeakPolarHBondContact CD2-O 3.44Å; L363-C397 HydrophobicContact CD2-CB 4.39Å
364	V	43.8	Very low	57.3	Low	40 Å²	40	83.6 Å²	83.6	24%	0.242	46%	0.455	C	S	.	.			trans	-38.9	136.6	167.1	-176.1	0	0	0	0	110.4	P366 I374	V364-P366 WeakPolarHBondContact O-CD 3.19Å; V364-I374 HydrophobicContact CG2-CD1 3.44Å; V364-I374 VanDerWaalsContact CG2-CD1 3.44Å
365	R	36.3	Very low	55.8	Low	162 Å²	162	83.7 Å²	83.7	61%	0.611	46%	0.457	S	S	*	.			trans	-62.7	125.7	176.2	-79.2	178.6	169	157.7	-3.2	109.2	G367 E368	R365-G367 PolarHBondContact O-N 3.13Å; R365-E368 PolarHBondContact O-N 3.09Å
366	P	33.1	Very low	54.4	Low	142 Å²	142	90 Å²	90	92%	0.922	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	106.2	174.4	-23	34.6	0	0	0	110.1	V364	V364-P366 WeakPolarHBondContact O-CD 3.19Å
367	G	38.8	Very low	53.9	Low	79 Å²	79	89.1 Å²	89.1	81%	0.814	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	144.2	-15	-177.4	0	0	0	0	0	115.8	R365	R365-G367 PolarHBondContact O-N 3.13Å
368	E	39.8	Very low	53.7	Low	102 Å²	102	83.6 Å²	83.6	48%	0.477	46%	0.464	S	S	.	.			trans	-101.9	137.8	172.6	-72.8	159.3	147.1	0	0	109.5	R365 D370	R365-E368 PolarHBondContact O-N 3.09Å; E368-D370 PolarHBondContact O-N 3.42Å
369	E	39.2	Very low	54	Low	190 Å²	190	85.7 Å²	85.7	89%	0.888	48%	0.478	S	S	*	.	S	Bend	trans	-76.1	-0.7	-171.4	-63.3	-177.6	136.5	0	0	113.6	N371	E369-N371 PolarHBondContact O-N 3.47Å
370	D	47.7	Very low	55.2	Low	97 Å²	97	84.9 Å²	84.9	52%	0.519	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-4.4	-168.5	-66.1	-30.7	0	0	0	116.2	E368 A372 A373 I374	E368-D370 PolarHBondContact O-N 3.42Å; D370-A372 PolarHBondContact O-N 3.3Å; D370-A373 WeakPolarHBondContact O-CB 3.48Å; D370-A373 PolarHBondContact O-N 2.68Å; D370-I374 PolarHBondContact O-N 3.13Å
371	N	47.4	Very low	57.1	Low	63 Å²	63	83.2 Å²	83.2	34%	0.337	45%	0.45	S	S	.	.	H	α-helix	trans	-60.2	-33.7	-179.4	-69.6	-71.1	0	0	0	112.5	E369 I374 L394	E369-N371 PolarHBondContact O-N 3.47Å; N371-I374 WeakPolarHBondContact O-CB 3.21Å; N371-I374 PolarHBondContact O-N 2.78Å; N371-L394 HydrophobicContact CB-CD1 3.99Å
372	A	46.4	Very low	59.8	Low	45 Å²	45	75.4 Å²	75.4	37%	0.372	41%	0.407	S	S	.	.	H	α-helix	trans	-66.6	-39.1	173.7	0	0	0	0	0	112.2	D370 I374 S375 E376	D370-A372 PolarHBondContact O-N 3.3Å; A372-I374 PolarHBondContact O-N 3.4Å; A372-I374 VanDerWaalsContact O-N 3.13Å; A372-S375 PolarHBondContact O-N 3.21Å; A372-S375 PolarHBondContact O-OG 2.87Å; A372-S375 VanDerWaalsContact O-OG 3.05Å; A372-E376 WeakPolarHBondContact O-CG 3.34Å; A372-E376 PolarHBondContact O-N 2.86Å
373	A	54.3	Low	62.4	Low	55 Å²	55	66.6 Å²	66.6	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-68	-9.3	175	0	0	0	0	0	113.5	R332 D370	R332-A373 PolarHBondContact NH2-O 3.42Å; R332-A373 VanDerWaalsContact NH2-O 3.13Å; D370-A373 WeakPolarHBondContact O-CB 3.48Å; D370-A373 PolarHBondContact O-N 2.68Å
374	I	62.4	Low	64.8	Low	24 Å²	24	63.2 Å²	63.2	12%	0.123	36%	0.357	C	S	.	.	H	α-helix	trans	-79.6	-37.4	169.6	-60.8	-178.7	0	0	0	111.2	R332 M356 V364 D370 N371 A372 L394 L401	R332-I374 VanDerWaalsContact NH2-CA 3.31Å; R332-I374 PolarHBondContact NH2-O 3.45Å; M356-I374 HydrophobicContact CE-CD1 4.43Å; M356-I374 HydrophobicContact CE-CG1 4.13Å; M356-I374 HydrophobicContact CE-CG2 4.21Å; V364-I374 HydrophobicContact CG2-CD1 3.44Å; V364-I374 VanDerWaalsContact CG2-CD1 3.44Å; D370-I374 PolarHBondContact O-N 3.13Å; N371-I374 WeakPolarHBondContact O-CB 3.21Å; N371-I374 PolarHBondContact O-N 2.78Å; A372-I374 PolarHBondContact O-N 3.4Å; A372-I374 VanDerWaalsContact O-N 3.13Å; I374-L394 HydrophobicContact CB-CD2 4.38Å; I374-L394 HydrophobicContact CG2-CD2 3.74Å; I374-L401 HydrophobicContact CG2-CD1 4.29Å; I374-L401 HydrophobicContact CG2-CD2 4.25Å
375	S	60.4	Low	67.4	Low	18 Å²	18	61.3 Å²	61.3	13%	0.126	35%	0.345	C	S	.	.	H	α-helix	trans	-92.5	-19.9	-177	44.2	0	0	0	0	115.5	A372 V387	A372-S375 PolarHBondContact O-N 3.21Å; A372-S375 PolarHBondContact O-OG 2.87Å; A372-S375 VanDerWaalsContact O-OG 3.05Å; S375-V387 WeakPolarHBondContact O-CG1 3.06Å
376	E	65.9	Low	70.2	Confident	134 Å²	134	54.6 Å²	54.6	63%	0.626	32%	0.321	S	S	*	.	S	Bend	trans	-99	19.2	-168.9	-67.8	174.6	-165.9	0	0	115.5	A372	A372-E376 WeakPolarHBondContact O-CG 3.34Å; A372-E376 PolarHBondContact O-N 2.86Å
377	V	80.8	Confident	73.1	Confident	31 Å²	31	48.3 Å²	48.3	19%	0.188	28%	0.28	C	S	.	.			trans	-115.1	163.8	-176.4	-48.2	0	0	0	0	113.7	R332 L354 M383	R332-V377 HydrophobicContact CB-CG2 4.38Å; L354-V377 HydrophobicContact CB-CG2 4.44Å; L354-V377 HydrophobicContact CD1-CB 3.86Å; L354-V377 HydrophobicContact CD1-CG2 4.02Å; L354-V377 HydrophobicContact CD2-CB 3.86Å; L354-V377 HydrophobicContact CD2-CG1 4.11Å; L354-V377 HydrophobicContact CD2-CG2 4.05Å; L354-V377 HydrophobicContact CG-CB 4.43Å; L354-V377 HydrophobicContact CG-CG2 4.41Å; V377-M383 WeakPolarHBondContact O-CE 3.39Å
378	G	87.8	Confident	75.7	Confident	4 Å²	4	44.5 Å²	44.5	4%	0.041	24%	0.241	C	C	.	.	S	Bend	trans	106.3	-176.2	-175.3	0	0	0	0	0	112.5	R213 R332	R213-G378 PolarHBondContact NH1-O 2.87Å; R332-G378 WeakPolarHBondContact O-CA 3.49Å
379	T	92.9	Very high	78.2	Confident	52 Å²	52	44.6 Å²	44.6	32%	0.319	24%	0.241	S	C	.	.			trans	-90.1	117.5	176.2	-60.7	0	0	0	0	110.2	D333 N335 R381 Y382 M383	D333-T379 VanDerWaalsContact OD1-CB 3.25Å; D333-T379 WeakPolarHBondContact OD1-CB 3.26Å; D333-T379 PolarHBondContact OD1-N 3.48Å; D333-T379 PolarHBondContact OD1-OG1 3.08Å; N335-T379 PolarHBondContact ND2-OG1 2.84Å; T379-R381 VanDerWaalsContact C-N 3.27Å; T379-R381 PolarHBondContact O-N 2.77Å; T379-Y382 HydrophobicContact CG2-CD2 3.8Å; T379-Y382 HydrophobicContact CG2-CE2 4.12Å; T379-Y382 PolarHBondContact O-N 3.39Å; T379-M383 PolarHBondContact O-N 2.73Å
380	I	95.4	Very high	80.6	Confident	60 Å²	60	38.1 Å²	38.1	31%	0.308	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-43.8	-45.2	-172.4	-70.6	169.8	0	0	0	114	Y382 M383 F446 M449	I380-Y382 PolarHBondContact O-N 3.04Å; I380-Y382 VanDerWaalsContact O-N 3.14Å; I380-M383 HydrophobicContact CG1-CE 4.43Å; I380-M383 HydrophobicContact CG1-SD 4.23Å; I380-M383 PolarHBondContact O-N 3.05Å; I380-F446 HydrophobicContact CD1-CB 4.38Å; I380-M449 HydrophobicContact CG2-CB 4.09Å; I380-M449 HydrophobicContact CG2-CG 3.49Å; I380-M449 VanDerWaalsContact CG2-CG 3.49Å
381	R	96.9	Very high	82.5	Confident	10 Å²	10	36.2 Å²	36.2	4%	0.038	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-55.5	-27.5	177.8	179.4	-178.2	-62.3	-69.2	-1.4	115.1	T379 A435 F436 G441 N442 P444	T379-R381 VanDerWaalsContact C-N 3.27Å; T379-R381 PolarHBondContact O-N 2.77Å; R381-A435 WeakPolarHBondContact CD-O 3.3Å; R381-A435 VanDerWaalsContact CG-O 3.22Å; R381-A435 WeakPolarHBondContact CG-O 3.01Å; R381-A435 PolarHBondContact NH1-O 3.24Å; R381-F436 VanDerWaalsContact NH1-C 3.3Å; R381-F436 PolarHBondContact NH1-O 3.3Å; R381-G441 PolarHBondContact NH2-O 3.28Å; R381-N442 PolarHBondContact NH2-O 2.81Å; R381-P444 HydrophobicContact CB-CG 4.46Å; R381-P444 VanDerWaalsContact NH2-CD 3.28Å
382	Y	97.9	Very high	84.4	Confident	8 Å²	8	33.9 Å²	33.9	3%	0.031	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-111.4	5.7	-175.2	-56.2	-94.2	0	0	0	112.8	N335 S336 T379 I380 A384 L411 E415	N335-Y382 HydrophobicContact CB-CD1 4.05Å; N335-Y382 HydrophobicContact CB-CD2 3.63Å; N335-Y382 HydrophobicContact CB-CE1 4.01Å; N335-Y382 HydrophobicContact CB-CE2 3.58Å; N335-Y382 HydrophobicContact CB-CG 3.87Å; S336-Y382 PolarHBondContact OG-OH 3.13Å; T379-Y382 HydrophobicContact CG2-CD2 3.8Å; T379-Y382 HydrophobicContact CG2-CE2 4.12Å; T379-Y382 PolarHBondContact O-N 3.39Å; I380-Y382 PolarHBondContact O-N 3.04Å; I380-Y382 VanDerWaalsContact O-N 3.14Å; Y382-A384 PolarHBondContact O-N 3.13Å; Y382-L411 HydrophobicContact CD1-CB 4.04Å; Y382-L411 HydrophobicContact CD1-CD1 3.82Å; Y382-L411 HydrophobicContact CE1-CB 4.32Å; Y382-L411 HydrophobicContact CG-CD1 4.37Å; Y382-E415 PolarHBondContact OH-OE1 2.85Å
383	M	97	Very high	86.2	Confident	11 Å²	11	35.4 Å²	35.4	5%	0.054	21%	0.213	C	C	.	.			trans	-67.4	131.4	175.7	-72.5	178.4	163.4	0	0	110.5	V377 T379 I380 V387 L388 Y407 F446	V377-M383 WeakPolarHBondContact O-CE 3.39Å; T379-M383 PolarHBondContact O-N 2.73Å; I380-M383 HydrophobicContact CG1-CE 4.43Å; I380-M383 HydrophobicContact CG1-SD 4.23Å; I380-M383 PolarHBondContact O-N 3.05Å; M383-V387 HydrophobicContact CB-CB 4.19Å; M383-V387 HydrophobicContact CB-CG1 4.03Å; M383-V387 HydrophobicContact CE-CG1 4.49Å; M383-V387 HydrophobicContact CG-CG1 3.94Å; M383-V387 HydrophobicContact SD-CG1 4.16Å; M383-L388 HydrophobicContact CB-CD1 4.4Å; M383-L388 HydrophobicContact CB-CD2 3.82Å; M383-L388 HydrophobicContact CB-CG 3.79Å; M383-L388 WeakPolarHBondContact O-CD1 3.49Å; M383-L388 HydrophobicContact SD-CD2 4.06Å; M383-Y407 WeakPolarHBondContact O-CE1 3.17Å; M383-F446 HydrophobicContact SD-CD2 4.06Å; M383-F446 HydrophobicContact SD-CE2 3.92Å
384	A	97.4	Very high	87.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.201	C	C	.	.			trans	-69	158.2	176.3	0	0	0	0	0	111.7	Y382 E386 V387 L388 V404 Y407	Y382-A384 PolarHBondContact O-N 3.13Å; A384-E386 VanDerWaalsContact C-N 3.28Å; A384-E386 WeakPolarHBondContact CB-OE1 3.48Å; A384-E386 WeakPolarHBondContact CB-OE2 3.09Å; A384-E386 PolarHBondContact O-N 3.04Å; A384-V387 HydrophobicContact CB-CG2 4.06Å; A384-V387 WeakPolarHBondContact O-CA 3.46Å; A384-V387 VanDerWaalsContact O-CB 3.27Å; A384-V387 WeakPolarHBondContact O-CB 3.43Å; A384-V387 PolarHBondContact O-N 3.04Å; A384-L388 PolarHBondContact O-N 3.32Å; A384-V404 HydrophobicContact CB-CG1 4.47Å; A384-V404 HydrophobicContact CB-CG2 4.35Å; A384-Y407 VanDerWaalsContact CA-CD1 3.44Å; A384-Y407 HydrophobicContact CB-CD1 3.74Å; A384-Y407 HydrophobicContact CB-CD2 4.29Å; A384-Y407 HydrophobicContact CB-CE1 4.49Å; A384-Y407 HydrophobicContact CB-CG 3.63Å
385	P	97	Very high	88.3	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-53.5	-41.3	-175.9	-23.5	28.6	0	0	0	114.4	V387 L388 E389 Y407 V453 S454 Q486	P385-V387 VanDerWaalsContact C-N 3.26Å; P385-V387 PolarHBondContact O-N 2.75Å; P385-L388 PolarHBondContact O-N 3.47Å; P385-E389 WeakPolarHBondContact O-CB 3.26Å; P385-E389 VanDerWaalsContact O-CG 3.29Å; P385-E389 WeakPolarHBondContact O-CG 3.5Å; P385-E389 PolarHBondContact O-N 2.82Å; P385-Y407 HydrophobicContact CG-CE2 4.29Å; P385-V453 HydrophobicContact CB-CG1 4.32Å; P385-V453 HydrophobicContact CG-CG1 3.77Å; P385-S454 VanDerWaalsContact CA-OG 3.31Å; P385-S454 WeakPolarHBondContact CA-OG 3.34Å; P385-S454 PolarHBondContact O-OG 2.83Å; P385-Q486 VanDerWaalsContact CB-NE2 3.34Å
386	E	95.1	Very high	89.5	Confident	21 Å²	21	47 Å²	47	10%	0.098	25%	0.249	C	C	.	.	H	α-helix	trans	-69.6	-21.1	178.2	69.4	-79.7	-171.6	0	0	113.7	A384 G390 A391 V392 V404 R491	A384-E386 VanDerWaalsContact C-N 3.28Å; A384-E386 WeakPolarHBondContact CB-OE1 3.48Å; A384-E386 WeakPolarHBondContact CB-OE2 3.09Å; A384-E386 PolarHBondContact O-N 3.04Å; E386-G390 PolarHBondContact O-N 3.37Å; E386-A391 CarbonylContact O-C 3.57Å; E386-A391 PolarHBondContact O-N 3.17Å; E386-V392 HydrophobicContact CG-CG2 4.29Å; E386-V392 WeakPolarHBondContact O-CG2 3.19Å; E386-V392 PolarHBondContact O-N 3.38Å; E386-V404 WeakPolarHBondContact OE1-CG2 3.03Å; E386-R491 IonicContact OE1-CZ 2.85Å; E386-R491 IonicContact OE1-NH1 3.46Å; E386-R491 PolarHBondContact OE1-NH1 3.12Å; E386-R491 IonicContact OE1-NH2 3.16Å; E386-R491 IonicContact OE2-CZ 2.68Å; E386-R491 IonicContact OE2-NH1 3.19Å; E386-R491 PolarHBondContact OE2-NH1 2.79Å; E386-R491 IonicContact OE2-NH2 2.85Å; E386-R491 PolarHBondContact OE2-NH2 3.33Å
387	V	94.5	Very high	90.4	Very high	9 Å²	9	42 Å²	42	6%	0.055	23%	0.229	C	C	.	.	H	α-helix	trans	-78.7	-46.8	173.3	-175.9	0	0	0	0	109.1	S375 M383 A384 P385 E389 G390 V392 V404	S375-V387 WeakPolarHBondContact O-CG1 3.06Å; M383-V387 HydrophobicContact CB-CB 4.19Å; M383-V387 HydrophobicContact CB-CG1 4.03Å; M383-V387 HydrophobicContact CE-CG1 4.49Å; M383-V387 HydrophobicContact CG-CG1 3.94Å; M383-V387 HydrophobicContact SD-CG1 4.16Å; A384-V387 HydrophobicContact CB-CG2 4.06Å; A384-V387 WeakPolarHBondContact O-CA 3.46Å; A384-V387 VanDerWaalsContact O-CB 3.27Å; A384-V387 WeakPolarHBondContact O-CB 3.43Å; A384-V387 PolarHBondContact O-N 3.04Å; P385-V387 VanDerWaalsContact C-N 3.26Å; P385-V387 PolarHBondContact O-N 2.75Å; V387-E389 VanDerWaalsContact C-N 3.28Å; V387-E389 PolarHBondContact O-N 3.36Å; V387-G390 PolarHBondContact O-N 3.4Å; V387-G390 VanDerWaalsContact O-N 3.08Å; V387-V392 HydrophobicContact CG2-CG2 4.06Å; V387-V404 HydrophobicContact CG2-CB 4.34Å; V387-V404 HydrophobicContact CG2-CG1 3.84Å; V387-V404 HydrophobicContact CG2-CG2 3.48Å; V387-V404 VanDerWaalsContact CG2-CG2 3.48Å
388	L	94.6	Very high	90.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-30.3	175.6	-66.9	167	0	0	0	112.9	M383 A384 P385 F446 M449 Q450 V453	M383-L388 HydrophobicContact CB-CD1 4.4Å; M383-L388 HydrophobicContact CB-CD2 3.82Å; M383-L388 HydrophobicContact CB-CG 3.79Å; M383-L388 WeakPolarHBondContact O-CD1 3.49Å; M383-L388 HydrophobicContact SD-CD2 4.06Å; A384-L388 PolarHBondContact O-N 3.32Å; P385-L388 PolarHBondContact O-N 3.47Å; L388-F446 HydrophobicContact CD2-CD2 3.98Å; L388-F446 HydrophobicContact CD2-CE2 3.86Å; L388-F446 HydrophobicContact CD2-CZ 4.36Å; L388-F446 WeakPolarHBondContact O-CE1 3.38Å; L388-F446 VanDerWaalsContact O-CZ 3.23Å; L388-F446 WeakPolarHBondContact O-CZ 3.5Å; L388-M449 HydrophobicContact CD1-CB 3.98Å; L388-M449 HydrophobicContact CD2-CB 3.75Å; L388-Q450 HydrophobicContact CB-CB 4.27Å; L388-Q450 HydrophobicContact CB-CG 4.31Å; L388-Q450 PolarHBondContact O-NE2 2.86Å; L388-V453 HydrophobicContact CD1-CB 3.83Å; L388-V453 HydrophobicContact CD1-CG1 3.83Å
389	E	92	Very high	91	Very high	103 Å²	103	45.6 Å²	45.6	48%	0.481	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-11.1	173.7	-72.9	173.6	-159.5	0	0	113.7	P385 V387 A391 S454	P385-E389 WeakPolarHBondContact O-CB 3.26Å; P385-E389 VanDerWaalsContact O-CG 3.29Å; P385-E389 WeakPolarHBondContact O-CG 3.5Å; P385-E389 PolarHBondContact O-N 2.82Å; V387-E389 VanDerWaalsContact C-N 3.28Å; V387-E389 PolarHBondContact O-N 3.36Å; E389-A391 HydrophobicContact CB-CB 3.85Å; E389-A391 PolarHBondContact O-N 2.95Å; E389-S454 WeakPolarHBondContact OE1-CB 3.43Å
390	G	89.1	Confident	91	Very high	54 Å²	54	43.7 Å²	43.7	56%	0.557	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	20.5	-170.2	0	0	0	0	0	113.6	E386 V387	E386-G390 PolarHBondContact O-N 3.37Å; V387-G390 PolarHBondContact O-N 3.4Å; V387-G390 VanDerWaalsContact O-N 3.08Å
391	A	87.8	Confident	90.9	Very high	58 Å²	58	41.1 Å²	41.1	48%	0.479	23%	0.225	S	C	.	.			trans	-107	13.1	-168	0	0	0	0	0	114	E386 E389 N393	E386-A391 CarbonylContact O-C 3.57Å; E386-A391 PolarHBondContact O-N 3.17Å; E389-A391 HydrophobicContact CB-CB 3.85Å; E389-A391 PolarHBondContact O-N 2.95Å; A391-N393 PolarHBondContact O-N 3.46Å
392	V	86.9	Confident	90.9	Very high	14 Å²	14	42.6 Å²	42.6	9%	0.085	23%	0.232	C	C	.	.			trans	-49.5	126.4	179	-174	0	0	0	0	111.1	E386 V387 L394 A400	E386-V392 HydrophobicContact CG-CG2 4.29Å; E386-V392 WeakPolarHBondContact O-CG2 3.19Å; E386-V392 PolarHBondContact O-N 3.38Å; V387-V392 HydrophobicContact CG2-CG2 4.06Å; V392-L394 VanDerWaalsContact C-N 3.29Å; V392-L394 HydrophobicContact CB-CD2 4.5Å; V392-L394 HydrophobicContact CG1-CD2 4.13Å; V392-L394 PolarHBondContact O-N 3.27Å; V392-A400 HydrophobicContact CG1-CB 3.95Å
393	N	83.4	Confident	90.9	Very high	77 Å²	77	43.3 Å²	43.3	41%	0.412	24%	0.236	S	C	.	.			trans	-72.8	79.2	-179.6	-177.5	11.4	0	0	0	112	A391 R395 D396 A400	A391-N393 PolarHBondContact O-N 3.46Å; N393-R395 PolarHBondContact O-N 3.35Å; N393-R395 WeakPolarHBondContact OD1-CB 3.38Å; N393-R395 PolarHBondContact OD1-N 2.9Å; N393-D396 CarbonylContact O-C 3.53Å; N393-D396 VanDerWaalsContact O-C 3.28Å; N393-D396 PolarHBondContact O-N 3.08Å; N393-D396 VanDerWaalsContact O-N 3.16Å; N393-A400 HydrophobicContact CB-CB 4.47Å
394	L	80.7	Confident	90.9	Very high	38 Å²	38	43.6 Å²	43.6	20%	0.199	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-61.7	-15.9	178.9	-61.2	-177.7	0	0	0	113.4	L363 N371 I374 V392 D396 C397	L363-L394 WeakPolarHBondContact CD1-O 3.42Å; L363-L394 VanDerWaalsContact CD2-O 3.3Å; L363-L394 WeakPolarHBondContact CD2-O 3.44Å; N371-L394 HydrophobicContact CB-CD1 3.99Å; I374-L394 HydrophobicContact CB-CD2 4.38Å; I374-L394 HydrophobicContact CG2-CD2 3.74Å; V392-L394 VanDerWaalsContact C-N 3.29Å; V392-L394 HydrophobicContact CB-CD2 4.5Å; V392-L394 HydrophobicContact CG1-CD2 4.13Å; V392-L394 PolarHBondContact O-N 3.27Å; L394-D396 VanDerWaalsContact C-N 3.26Å; L394-D396 PolarHBondContact O-N 2.95Å; L394-C397 PolarHBondContact O-N 3.23Å
395	R	81.4	Confident	91	Very high	230 Å²	230	43.7 Å²	43.7	87%	0.868	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-64.8	-31.8	175.8	-61.5	-177.2	177.1	-179.2	0.7	112.5	N393	N393-R395 PolarHBondContact O-N 3.35Å; N393-R395 WeakPolarHBondContact OD1-CB 3.38Å; N393-R395 PolarHBondContact OD1-N 2.9Å
396	D	85.5	Confident	91.1	Very high	72 Å²	72	43.6 Å²	43.6	39%	0.385	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-120.3	67.9	165.6	-173.2	-3.4	0	0	0	109	N393 L394 E398 S399 A400	N393-D396 CarbonylContact O-C 3.53Å; N393-D396 VanDerWaalsContact O-C 3.28Å; N393-D396 PolarHBondContact O-N 3.08Å; N393-D396 VanDerWaalsContact O-N 3.16Å; L394-D396 VanDerWaalsContact C-N 3.26Å; L394-D396 PolarHBondContact O-N 2.95Å; D396-E398 PolarHBondContact O-N 3.08Å; D396-E398 PolarHBondContact OD1-N 3.46Å; D396-S399 VanDerWaalsContact CG-CB 3.45Å; D396-S399 PolarHBondContact O-N 3.19Å; D396-S399 PolarHBondContact OD1-N 3.13Å; D396-S399 PolarHBondContact OD1-OG 3Å; D396-S399 WeakPolarHBondContact OD2-CB 3.17Å; D396-S399 PolarHBondContact OD2-OG 3.39Å; D396-A400 VanDerWaalsContact O-CB 3.25Å; D396-A400 WeakPolarHBondContact O-CB 3.49Å; D396-A400 PolarHBondContact O-N 2.66Å
397	C	84.3	Confident	91.2	Very high	30 Å²	30	42.6 Å²	42.6	20%	0.203	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-21.9	179.4	64.6	0	0	0	0	113.8	L363 L394 L401	L363-C397 HydrophobicContact CD2-CB 4.39Å; L394-C397 PolarHBondContact O-N 3.23Å; C397-L401 VanDerWaalsContact O-CB 3.28Å; C397-L401 WeakPolarHBondContact O-CB 3.27Å; C397-L401 VanDerWaalsContact O-CG 3.24Å; C397-L401 WeakPolarHBondContact O-CG 3.22Å; C397-L401 PolarHBondContact O-N 3.44Å; C397-L401 VanDerWaalsContact O-N 3.16Å
398	E	89.9	Confident	91.4	Very high	51 Å²	51	42.4 Å²	42.4	24%	0.238	23%	0.232	C	C	.	.	H	α-helix	trans	-74.2	-52.6	176.6	-179.5	166.1	164.6	0	0	110.9	L358 D396 K402	L358-E398 HydrophobicContact CB-CB 4.26Å; L358-E398 HydrophobicContact CB-CG 3.89Å; L358-E398 HydrophobicContact CD1-CG 3.95Å; L358-E398 HydrophobicContact CG-CG 4.48Å; D396-E398 PolarHBondContact O-N 3.08Å; D396-E398 PolarHBondContact OD1-N 3.46Å; E398-K402 HydrophobicContact CG-CD 4.32Å; E398-K402 VanDerWaalsContact O-CG 3.25Å; E398-K402 WeakPolarHBondContact O-CG 3.15Å; E398-K402 PolarHBondContact O-N 3.37Å; E398-K402 WeakPolarHBondContact OE1-CE 3.42Å; E398-K402 IonicContact OE1-NZ 2.97Å; E398-K402 PolarHBondContact OE1-NZ 2.73Å
399	S	92	Very high	91.7	Very high	59 Å²	59	42.4 Å²	42.4	41%	0.413	23%	0.232	S	C	.	.	H	α-helix	trans	-63.9	-46.6	176.1	-57.7	0	0	0	0	111	D396 L401 K402 Q403	D396-S399 VanDerWaalsContact CG-CB 3.45Å; D396-S399 PolarHBondContact O-N 3.19Å; D396-S399 PolarHBondContact OD1-N 3.13Å; D396-S399 PolarHBondContact OD1-OG 3Å; D396-S399 WeakPolarHBondContact OD2-CB 3.17Å; D396-S399 PolarHBondContact OD2-OG 3.39Å; S399-L401 PolarHBondContact O-N 2.92Å; S399-K402 PolarHBondContact O-N 3.16Å; S399-Q403 VanDerWaalsContact O-CG 3.26Å; S399-Q403 WeakPolarHBondContact O-CG 3.11Å; S399-Q403 PolarHBondContact O-N 2.83Å
400	A	92.5	Very high	92	Very high	12 Å²	12	37.5 Å²	37.5	10%	0.099	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-49.3	-177	0	0	0	0	0	112.3	V392 N393 D396 K402 Q403 V404	V392-A400 HydrophobicContact CG1-CB 3.95Å; N393-A400 HydrophobicContact CB-CB 4.47Å; D396-A400 VanDerWaalsContact O-CB 3.25Å; D396-A400 WeakPolarHBondContact O-CB 3.49Å; D396-A400 PolarHBondContact O-N 2.66Å; A400-K402 VanDerWaalsContact C-N 3.33Å; A400-K402 PolarHBondContact O-N 2.78Å; A400-Q403 PolarHBondContact O-N 2.98Å; A400-Q403 VanDerWaalsContact O-N 3.16Å; A400-V404 WeakPolarHBondContact O-CG2 3.36Å; A400-V404 PolarHBondContact O-N 3.31Å; A400-V404 VanDerWaalsContact O-N 3.08Å
401	L	93.3	Very high	92.4	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-71.4	-26.2	-178.7	-65.8	174.7	0	0	0	113.2	M356 L358 I374 C397 S399	M356-L401 HydrophobicContact CE-CD1 4.38Å; M356-L401 HydrophobicContact SD-CD1 3.63Å; L358-L401 HydrophobicContact CD2-CB 4.43Å; L358-L401 HydrophobicContact CD2-CD1 3.96Å; I374-L401 HydrophobicContact CG2-CD1 4.29Å; I374-L401 HydrophobicContact CG2-CD2 4.25Å; C397-L401 VanDerWaalsContact O-CB 3.28Å; C397-L401 WeakPolarHBondContact O-CB 3.27Å; C397-L401 VanDerWaalsContact O-CG 3.24Å; C397-L401 WeakPolarHBondContact O-CG 3.22Å; C397-L401 PolarHBondContact O-N 3.44Å; C397-L401 VanDerWaalsContact O-N 3.16Å; S399-L401 PolarHBondContact O-N 2.92Å
402	K	96.8	Very high	93	Very high	40 Å²	40	32.1 Å²	32.1	17%	0.174	16%	0.16	C	C	.	.	H	α-helix	trans	-66.5	-42.8	168.5	-72	176.3	-170.5	-176.9	0	111.2	H316 L358 E398 S399 A400 V404 D405 M406	H316-K402 HydrophobicContact CB-CD 4.19Å; H316-K402 HydrophobicContact CB-CG 4.37Å; H316-K402 PolarHBondContact CE1-O 2.95Å; H316-K402 VanDerWaalsContact CE1-O 3.3Å; H316-K402 VanDerWaalsContact O-CE 3.28Å; H316-K402 WeakPolarHBondContact O-CE 3.43Å; H316-K402 PolarHBondContact O-NZ 2.87Å; L358-K402 HydrophobicContact CD1-CG 3.97Å; E398-K402 HydrophobicContact CG-CD 4.32Å; E398-K402 VanDerWaalsContact O-CG 3.25Å; E398-K402 WeakPolarHBondContact O-CG 3.15Å; E398-K402 PolarHBondContact O-N 3.37Å; E398-K402 WeakPolarHBondContact OE1-CE 3.42Å; E398-K402 IonicContact OE1-NZ 2.97Å; E398-K402 PolarHBondContact OE1-NZ 2.73Å; S399-K402 PolarHBondContact O-N 3.16Å; A400-K402 VanDerWaalsContact C-N 3.33Å; A400-K402 PolarHBondContact O-N 2.78Å; K402-V404 VanDerWaalsContact C-N 3.3Å; K402-V404 PolarHBondContact O-N 3.35Å; K402-D405 WeakPolarHBondContact O-CB 3.24Å; K402-D405 PolarHBondContact O-N 3.27Å; K402-D405 VanDerWaalsContact O-N 3.13Å; K402-M406 WeakPolarHBondContact O-CG 3.02Å; K402-M406 PolarHBondContact O-N 3.24Å; K402-M406 VanDerWaalsContact O-N 3.09Å
403	Q	97.9	Very high	93.5	Very high	24 Å²	24	31.5 Å²	31.5	11%	0.112	16%	0.156	C	C	.	.	H	α-helix	trans	-72.3	-21.4	-177.9	-62.8	-70.8	45.4	0	0	113.6	S399 A400 M406 Y407 A488 R491 L492	S399-Q403 VanDerWaalsContact O-CG 3.26Å; S399-Q403 WeakPolarHBondContact O-CG 3.11Å; S399-Q403 PolarHBondContact O-N 2.83Å; A400-Q403 PolarHBondContact O-N 2.98Å; A400-Q403 VanDerWaalsContact O-N 3.16Å; Q403-M406 PolarHBondContact O-N 3.02Å; Q403-Y407 PolarHBondContact O-N 3.24Å; Q403-Y407 VanDerWaalsContact O-N 3.14Å; Q403-A488 HydrophobicContact CB-CB 4.1Å; Q403-A488 VanDerWaalsContact CD-O 3.24Å; Q403-A488 WeakPolarHBondContact CG-O 3.49Å; Q403-A488 PolarHBondContact NE2-O 2.87Å; Q403-R491 PolarHBondContact NE2-O 3.31Å; Q403-R491 PolarHBondContact O-NH1 2.89Å; Q403-L492 PolarHBondContact OE1-O 2.76Å
404	V	97.4	Very high	94.3	Very high	17 Å²	17	28.4 Å²	28.4	10%	0.103	14%	0.139	C	C	.	.	H	α-helix	trans	-64.4	-45.6	165.8	172.9	0	0	0	0	111.3	A384 E386 V387 A400 K402 M406 Y407 A408	A384-V404 HydrophobicContact CB-CG1 4.47Å; A384-V404 HydrophobicContact CB-CG2 4.35Å; E386-V404 WeakPolarHBondContact OE1-CG2 3.03Å; V387-V404 HydrophobicContact CG2-CB 4.34Å; V387-V404 HydrophobicContact CG2-CG1 3.84Å; V387-V404 HydrophobicContact CG2-CG2 3.48Å; V387-V404 VanDerWaalsContact CG2-CG2 3.48Å; A400-V404 WeakPolarHBondContact O-CG2 3.36Å; A400-V404 PolarHBondContact O-N 3.31Å; A400-V404 VanDerWaalsContact O-N 3.08Å; K402-V404 VanDerWaalsContact C-N 3.3Å; K402-V404 PolarHBondContact O-N 3.35Å; V404-M406 VanDerWaalsContact C-N 3.29Å; V404-M406 PolarHBondContact O-N 2.97Å; V404-Y407 PolarHBondContact O-N 3.42Å; V404-A408 PolarHBondContact O-N 3.16Å
405	D	98.5	Very high	95.1	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-64.5	-35.1	175.7	-62.8	-33.4	0	0	0	111.7	L312 H316 S330 H331 R332 L334 K402 A408 L409	L312-D405 HydrophobicContact CD1-CB 4.01Å; L312-D405 HydrophobicContact CD2-CB 4.14Å; H316-D405 IonicContact CD2-OD2 2.7Å; H316-D405 IonicContact CE1-OD2 3.19Å; H316-D405 IonicContact NE2-OD2 3.82Å; H316-D405 PolarHBondContact NE2-OD2 3.07Å; S330-D405 VanDerWaalsContact CA-OD2 3.26Å; S330-D405 WeakPolarHBondContact CA-OD2 3.26Å; S330-D405 WeakPolarHBondContact CB-OD2 3.34Å; H331-D405 WeakPolarHBondContact CB-OD1 3.48Å; H331-D405 PolarHBondContact N-OD1 2.79Å; H331-D405 PolarHBondContact N-OD2 3.49Å; R332-D405 PolarHBondContact N-OD1 2.92Å; L334-D405 HydrophobicContact CD2-CB 4.44Å; K402-D405 WeakPolarHBondContact O-CB 3.24Å; K402-D405 PolarHBondContact O-N 3.27Å; K402-D405 VanDerWaalsContact O-N 3.13Å; D405-A408 PolarHBondContact O-N 3.16Å; D405-L409 PolarHBondContact O-N 2.99Å
406	M	98.8	Very high	96	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.9	-37.2	179.5	-68.1	-55.2	-54.8	0	0	113.1	L312 K402 Q403 V404 A408 L409 G410 C483 L492 A494 A497	L312-M406 HydrophobicContact CD2-SD 3.72Å; K402-M406 WeakPolarHBondContact O-CG 3.02Å; K402-M406 PolarHBondContact O-N 3.24Å; K402-M406 VanDerWaalsContact O-N 3.09Å; Q403-M406 PolarHBondContact O-N 3.02Å; V404-M406 VanDerWaalsContact C-N 3.29Å; V404-M406 PolarHBondContact O-N 2.97Å; M406-A408 VanDerWaalsContact C-N 3.34Å; M406-A408 PolarHBondContact O-N 3.45Å; M406-L409 HydrophobicContact CE-CD2 3.63Å; M406-L409 WeakPolarHBondContact O-CB 3.26Å; M406-L409 PolarHBondContact O-N 2.91Å; M406-L409 HydrophobicContact SD-CD2 4.13Å; M406-G410 PolarHBondContact O-N 3.44Å; M406-C483 CarbonylContact C-O 3.57Å; M406-L492 HydrophobicContact CE-CB 4.36Å; M406-L492 WeakPolarHBondContact CE-O 3.42Å; M406-L492 VanDerWaalsContact CG-O 3.28Å; M406-L492 WeakPolarHBondContact CG-O 3.21Å; M406-A494 WeakPolarHBondContact SD-CA 3.49Å; M406-A494 HydrophobicContact SD-CB 3.61Å; M406-A494 PolarHBondContact SD-N 3.08Å; M406-A494 VanDerWaalsContact SD-N 3.38Å; M406-A497 HydrophobicContact CE-CB 3.71Å
407	Y	98.9	Very high	96.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.5	-48.8	170.2	175.6	-91.6	0	0	0	111.2	M383 A384 P385 Q403 V404 L409 G410 L411 V453 C483 W484	M383-Y407 WeakPolarHBondContact O-CE1 3.17Å; A384-Y407 VanDerWaalsContact CA-CD1 3.44Å; A384-Y407 HydrophobicContact CB-CD1 3.74Å; A384-Y407 HydrophobicContact CB-CD2 4.29Å; A384-Y407 HydrophobicContact CB-CE1 4.49Å; A384-Y407 HydrophobicContact CB-CG 3.63Å; P385-Y407 HydrophobicContact CG-CE2 4.29Å; Q403-Y407 PolarHBondContact O-N 3.24Å; Q403-Y407 VanDerWaalsContact O-N 3.14Å; V404-Y407 PolarHBondContact O-N 3.42Å; Y407-L409 VanDerWaalsContact C-N 3.32Å; Y407-L409 PolarHBondContact O-N 3.13Å; Y407-G410 PolarHBondContact O-N 3.23Å; Y407-G410 VanDerWaalsContact O-N 3.14Å; Y407-L411 HydrophobicContact CD1-CD1 4.18Å; Y407-L411 HydrophobicContact CE1-CD1 3.58Å; Y407-L411 HydrophobicContact CE1-CG 4.23Å; Y407-L411 PolarHBondContact O-N 3.25Å; Y407-V453 HydrophobicContact CE2-CG1 4.46Å; Y407-V453 VanDerWaalsContact OH-CG1 3.24Å; Y407-V453 WeakPolarHBondContact OH-CG1 3.34Å; Y407-C483 WeakPolarHBondContact CA-O 3.25Å; Y407-C483 PolarHBondContact N-O 3.28Å; Y407-W484 HydrophobicContact CD2-CB 3.98Å; Y407-W484 HydrophobicContact CE2-CB 4.04Å
408	A	98.8	Very high	97.2	Very high	4 Å²	4	11.9 Å²	11.9	3%	0.033	7%	0.065	C	C	.	.	H	α-helix	trans	-65	-33.9	178.1	0	0	0	0	0	112.9	L334 V404 D405 M406 G410 L411 I412	L334-A408 HydrophobicContact CB-CB 4.13Å; L334-A408 WeakPolarHBondContact O-CB 3.23Å; V404-A408 PolarHBondContact O-N 3.16Å; D405-A408 PolarHBondContact O-N 3.16Å; M406-A408 VanDerWaalsContact C-N 3.34Å; M406-A408 PolarHBondContact O-N 3.45Å; A408-G410 VanDerWaalsContact C-N 3.33Å; A408-G410 PolarHBondContact O-N 3.16Å; A408-L411 PolarHBondContact O-N 3.26Å; A408-I412 WeakPolarHBondContact O-CG1 3.43Å; A408-I412 PolarHBondContact O-N 3.29Å; A408-I412 VanDerWaalsContact O-N 3.1Å
409	L	98.9	Very high	97.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.2	-39.2	172	-174.1	72.8	0	0	0	111.9	V308 T309 L312 L334 D405 M406 Y407 L411 I412 Y413 A497	V308-L409 HydrophobicContact CB-CD1 4.46Å; V308-L409 HydrophobicContact CG1-CD1 3.65Å; T309-L409 HydrophobicContact CG2-CD2 3.81Å; L312-L409 HydrophobicContact CD2-CB 4.25Å; L312-L409 HydrophobicContact CD2-CD2 4.12Å; L334-L409 HydrophobicContact CD2-CB 4.19Å; L334-L409 HydrophobicContact CD2-CD1 4.46Å; D405-L409 PolarHBondContact O-N 2.99Å; M406-L409 HydrophobicContact CE-CD2 3.63Å; M406-L409 WeakPolarHBondContact O-CB 3.26Å; M406-L409 PolarHBondContact O-N 2.91Å; M406-L409 HydrophobicContact SD-CD2 4.13Å; Y407-L409 VanDerWaalsContact C-N 3.32Å; Y407-L409 PolarHBondContact O-N 3.13Å; L409-L411 VanDerWaalsContact C-N 3.28Å; L409-L411 PolarHBondContact O-N 2.96Å; L409-I412 CarbonylContact O-C 3.51Å; L409-I412 WeakPolarHBondContact O-CB 3.41Å; L409-I412 PolarHBondContact O-N 2.86Å; L409-I412 VanDerWaalsContact O-N 3.09Å; L409-Y413 HydrophobicContact CD1-CD1 4.4Å; L409-Y413 HydrophobicContact CD1-CE1 3.9Å; L409-Y413 HydrophobicContact CD2-CE1 4.15Å; L409-Y413 HydrophobicContact CD2-CE2 4.42Å; L409-Y413 HydrophobicContact CG-CD1 4.45Å; L409-Y413 HydrophobicContact CG-CE1 3.89Å; L409-Y413 HydrophobicContact CG-CE2 4.36Å; L409-Y413 PolarHBondContact O-N 2.89Å; L409-A497 HydrophobicContact CD2-CB 4.41Å
410	G	98.8	Very high	97.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-59.2	-38	174.4	0	0	0	0	0	113	M406 Y407 A408 Y413 W414	M406-G410 PolarHBondContact O-N 3.44Å; Y407-G410 PolarHBondContact O-N 3.23Å; Y407-G410 VanDerWaalsContact O-N 3.14Å; A408-G410 VanDerWaalsContact C-N 3.33Å; A408-G410 PolarHBondContact O-N 3.16Å; G410-Y413 VanDerWaalsContact O-CA 3.31Å; G410-Y413 WeakPolarHBondContact O-CA 3.25Å; G410-Y413 PolarHBondContact O-N 3.2Å; G410-W414 PolarHBondContact O-N 2.95Å
411	L	98.9	Very high	97.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-70.2	-30.5	174.2	-57.6	177.2	0	0	0	113	Y382 Y407 A408 L409 W414 E415 A435 F436 P460 W484	Y382-L411 HydrophobicContact CD1-CB 4.04Å; Y382-L411 HydrophobicContact CD1-CD1 3.82Å; Y382-L411 HydrophobicContact CE1-CB 4.32Å; Y382-L411 HydrophobicContact CG-CD1 4.37Å; Y407-L411 HydrophobicContact CD1-CD1 4.18Å; Y407-L411 HydrophobicContact CE1-CD1 3.58Å; Y407-L411 HydrophobicContact CE1-CG 4.23Å; Y407-L411 PolarHBondContact O-N 3.25Å; A408-L411 PolarHBondContact O-N 3.26Å; L409-L411 VanDerWaalsContact C-N 3.28Å; L409-L411 PolarHBondContact O-N 2.96Å; L411-W414 WeakPolarHBondContact O-CA 3.26Å; L411-E415 PolarHBondContact O-N 3.49Å; L411-E415 VanDerWaalsContact O-N 3.14Å; L411-A435 HydrophobicContact CB-CB 3.86Å; L411-A435 HydrophobicContact CD1-CB 4.37Å; L411-A435 HydrophobicContact CD2-CB 3.95Å; L411-A435 HydrophobicContact CG-CB 4.27Å; L411-F436 HydrophobicContact CD1-CE2 4Å; L411-F436 HydrophobicContact CD2-CD2 4.45Å; L411-F436 HydrophobicContact CD2-CE2 3.62Å; L411-F436 HydrophobicContact CD2-CZ 4.06Å; L411-F436 HydrophobicContact CG-CE2 4.5Å; L411-P460 HydrophobicContact CD2-CG 3.77Å; L411-W484 HydrophobicContact CD2-CE3 3.87Å; L411-W484 HydrophobicContact CD2-CZ3 4.32Å
412	I	98.9	Very high	97.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-71.8	-35.4	170.5	-64.8	169.3	0	0	0	110.7	L287 L334 V339 A408 L409 E415 I416	L287-I412 HydrophobicContact CD2-CG2 3.78Å; L334-I412 HydrophobicContact CD1-CD1 4.38Å; L334-I412 HydrophobicContact CD2-CD1 4.33Å; L334-I412 HydrophobicContact CG-CD1 3.88Å; V339-I412 HydrophobicContact CG2-CD1 4.34Å; A408-I412 WeakPolarHBondContact O-CG1 3.43Å; A408-I412 PolarHBondContact O-N 3.29Å; A408-I412 VanDerWaalsContact O-N 3.1Å; L409-I412 CarbonylContact O-C 3.51Å; L409-I412 WeakPolarHBondContact O-CB 3.41Å; L409-I412 PolarHBondContact O-N 2.86Å; L409-I412 VanDerWaalsContact O-N 3.09Å; I412-E415 PolarHBondContact O-N 2.76Å; I412-I416 HydrophobicContact CG2-CD1 3.74Å; I412-I416 HydrophobicContact CG2-CG1 4.23Å; I412-I416 WeakPolarHBondContact O-CG1 3.25Å; I412-I416 PolarHBondContact O-N 2.67Å
413	Y	98.8	Very high	97.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-33.3	-92.7	160.8	62.3	-115.3	0	0	0	114	A305 T309 L409 G410 E415 I416 F417 T479 I480 M501	A305-Y413 HydrophobicContact CB-CD1 3.55Å; A305-Y413 HydrophobicContact CB-CE1 3.89Å; A305-Y413 HydrophobicContact CB-CG 4.36Å; T309-Y413 WeakPolarHBondContact OG1-CE1 3.45Å; T309-Y413 PolarHBondContact OG1-OH 3.17Å; L409-Y413 HydrophobicContact CD1-CD1 4.4Å; L409-Y413 HydrophobicContact CD1-CE1 3.9Å; L409-Y413 HydrophobicContact CD2-CE1 4.15Å; L409-Y413 HydrophobicContact CD2-CE2 4.42Å; L409-Y413 HydrophobicContact CG-CD1 4.45Å; L409-Y413 HydrophobicContact CG-CE1 3.89Å; L409-Y413 HydrophobicContact CG-CE2 4.36Å; L409-Y413 PolarHBondContact O-N 2.89Å; G410-Y413 VanDerWaalsContact O-CA 3.31Å; G410-Y413 WeakPolarHBondContact O-CA 3.25Å; G410-Y413 PolarHBondContact O-N 3.2Å; Y413-E415 PolarHBondContact O-N 2.8Å; Y413-I416 PolarHBondContact O-N 2.89Å; Y413-I416 VanDerWaalsContact O-N 3.17Å; Y413-F417 WeakPolarHBondContact O-CD2 3.21Å; Y413-F417 PolarHBondContact O-N 3.37Å; Y413-F417 VanDerWaalsContact O-N 3.07Å; Y413-T479 HydrophobicContact CE2-CG2 4.18Å; Y413-I480 HydrophobicContact CD2-CG1 3.99Å; Y413-M501 HydrophobicContact CD1-CE 4.08Å; Y413-M501 HydrophobicContact CD2-CE 3.92Å; Y413-M501 HydrophobicContact CE1-CE 3.91Å; Y413-M501 HydrophobicContact CE2-CE 3.78Å; Y413-M501 HydrophobicContact CG-CE 4.03Å
414	W	98.8	Very high	97.6	Very high	12 Å²	12	8.9 Å²	8.9	5%	0.045	5%	0.047	C	C	.	.	H	α-helix		42.4	-112.2	118	-130.1	124.3	0	0	0	116.8	G410 L411 I416 F417 M418 A435 P460 K461 W484	G410-W414 PolarHBondContact O-N 2.95Å; L411-W414 WeakPolarHBondContact O-CA 3.26Å; W414-I416 PolarHBondContact O-N 3.19Å; W414-F417 PolarHBondContact O-N 2.64Å; W414-M418 HydrophobicContact CD2-CG 3.6Å; W414-M418 HydrophobicContact CE3-CG 3.99Å; W414-M418 HydrophobicContact CG-CG 4.14Å; W414-M418 HydrophobicContact CH2-CE 4.35Å; W414-M418 HydrophobicContact CH2-CG 4.02Å; W414-M418 HydrophobicContact CZ2-CE 3.91Å; W414-M418 HydrophobicContact CZ2-CG 3.64Å; W414-M418 HydrophobicContact CZ2-SD 3.88Å; W414-M418 HydrophobicContact CZ3-CG 4.17Å; W414-M418 WeakPolarHBondContact O-CG 3.44Å; W414-M418 PolarHBondContact O-N 3.25Å; W414-A435 HydrophobicContact CE3-CB 4.41Å; W414-P460 HydrophobicContact CD2-CB 3.56Å; W414-P460 HydrophobicContact CD2-CG 4.44Å; W414-P460 VanDerWaalsContact CE2-CB 3.48Å; W414-P460 HydrophobicContact CE3-CB 4.01Å; W414-P460 HydrophobicContact CG-CB 3.88Å; W414-P460 HydrophobicContact CH2-CB 4.33Å; W414-P460 HydrophobicContact CZ2-CB 3.89Å; W414-P460 HydrophobicContact CZ3-CB 4.39Å; W414-K461 PolarHBondContact NE1-O 2.83Å; W414-W484 HydrophobicContact CB-CH2 4.19Å; W414-W484 HydrophobicContact CB-CZ3 3.69Å; W414-W484 HydrophobicContact CG-CH2 4.43Å; W414-W484 HydrophobicContact CG-CZ3 4.27Å
415	E	98.7	Very high	97.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.2	-38.9	-179	-70.2	176.8	-159.4	0	0	114.8	L291 S336 Y382 L411 I412 Y413 Y432 M434 A435	L291-E415 HydrophobicContact CD1-CB 4.14Å; S336-E415 WeakPolarHBondContact CB-OE2 3.39Å; S336-E415 PolarHBondContact OG-OE2 2.88Å; Y382-E415 PolarHBondContact OH-OE1 2.85Å; L411-E415 PolarHBondContact O-N 3.49Å; L411-E415 VanDerWaalsContact O-N 3.14Å; I412-E415 PolarHBondContact O-N 2.76Å; Y413-E415 PolarHBondContact O-N 2.8Å; E415-Y432 HydrophobicContact CB-CE2 4.18Å; E415-Y432 HydrophobicContact CG-CE2 4.29Å; E415-Y432 PolarHBondContact OE2-OH 2.98Å; E415-M434 WeakPolarHBondContact OE1-CA 3.12Å; E415-A435 PolarHBondContact OE1-N 2.78Å
416	I	98.7	Very high	96.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-64.6	-52.2	178.8	-68.6	170	0	0	0	109.9	L287 L291 S301 L304 A305 I412 Y413 W414 M418 R419	L287-I416 HydrophobicContact CD1-CG1 4.35Å; L287-I416 HydrophobicContact CD2-CD1 3.92Å; L287-I416 HydrophobicContact CD2-CG1 3.9Å; L291-I416 HydrophobicContact CD1-CG1 4.18Å; S301-I416 WeakPolarHBondContact O-CG2 3.31Å; L304-I416 HydrophobicContact CB-CD1 4.14Å; L304-I416 HydrophobicContact CB-CG2 4.28Å; L304-I416 HydrophobicContact CD1-CG2 4.5Å; A305-I416 HydrophobicContact CB-CD1 4.04Å; I412-I416 HydrophobicContact CG2-CD1 3.74Å; I412-I416 HydrophobicContact CG2-CG1 4.23Å; I412-I416 WeakPolarHBondContact O-CG1 3.25Å; I412-I416 PolarHBondContact O-N 2.67Å; Y413-I416 PolarHBondContact O-N 2.89Å; Y413-I416 VanDerWaalsContact O-N 3.17Å; W414-I416 PolarHBondContact O-N 3.19Å; I416-M418 PolarHBondContact O-N 3.47Å; I416-R419 PolarHBondContact O-N 3.29Å; I416-R419 VanDerWaalsContact O-N 3.09Å
417	F	97.9	Very high	96.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-77.8	-20.2	-173.3	-75.3	-82.5	0	0	0	113.3	W298 A305 Y413 W414 R419 C420 L423 W466 L476 M501	W298-F417 HydrophobicContact CD2-CE1 4.48Å; W298-F417 HydrophobicContact CE3-CE1 4.2Å; W298-F417 HydrophobicContact CH2-CE1 4.33Å; W298-F417 HydrophobicContact CZ3-CD1 4.32Å; W298-F417 HydrophobicContact CZ3-CE1 4.12Å; A305-F417 HydrophobicContact CB-CE2 3.9Å; A305-F417 HydrophobicContact CB-CZ 4.43Å; Y413-F417 WeakPolarHBondContact O-CD2 3.21Å; Y413-F417 PolarHBondContact O-N 3.37Å; Y413-F417 VanDerWaalsContact O-N 3.07Å; W414-F417 PolarHBondContact O-N 2.64Å; F417-R419 PolarHBondContact O-N 3.02Å; F417-R419 VanDerWaalsContact O-N 3.12Å; F417-C420 HydrophobicContact CD1-CB 4.14Å; F417-C420 VanDerWaalsContact O-CB 3.25Å; F417-C420 WeakPolarHBondContact O-CB 3.26Å; F417-C420 PolarHBondContact O-N 2.8Å; F417-C420 VanDerWaalsContact O-N 3.1Å; F417-L423 HydrophobicContact CB-CD1 3.89Å; F417-L423 HydrophobicContact CD1-CD1 3.88Å; F417-L423 HydrophobicContact CG-CD1 4.34Å; F417-W466 HydrophobicContact CB-CH2 3.56Å; F417-W466 HydrophobicContact CB-CZ2 3.83Å; F417-W466 HydrophobicContact CB-CZ3 4.37Å; F417-L476 HydrophobicContact CB-CD2 4.03Å; F417-L476 HydrophobicContact CD1-CD1 4.34Å; F417-L476 HydrophobicContact CD1-CD2 3.45Å; F417-L476 VanDerWaalsContact CD1-CD2 3.45Å; F417-L476 HydrophobicContact CD2-CD1 3.64Å; F417-L476 HydrophobicContact CD2-CD2 4.08Å; F417-L476 HydrophobicContact CD2-CG 4.47Å; F417-L476 HydrophobicContact CE1-CD1 4.24Å; F417-L476 HydrophobicContact CE1-CD2 3.83Å; F417-L476 HydrophobicContact CE2-CD1 3.53Å; F417-L476 HydrophobicContact CE2-CD2 4.42Å; F417-L476 HydrophobicContact CG-CD1 4.05Å; F417-L476 HydrophobicContact CG-CD2 3.58Å; F417-L476 HydrophobicContact CG-CG 4.41Å; F417-L476 HydrophobicContact CZ-CD1 3.84Å; F417-L476 HydrophobicContact CZ-CD2 4.3Å; F417-M501 HydrophobicContact CE2-CE 4.08Å; F417-M501 HydrophobicContact CE2-SD 4.15Å; F417-M501 HydrophobicContact CZ-CE 4.49Å; F417-M501 HydrophobicContact CZ-SD 4.02Å
418	M	97.8	Very high	95.9	Very high	22 Å²	22	26 Å²	26	11%	0.108	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.7	165.1	-79.1	-63.5	-69.1	0	0	113.7	W414 I416 F424 P430 P463 W466	W414-M418 HydrophobicContact CD2-CG 3.6Å; W414-M418 HydrophobicContact CE3-CG 3.99Å; W414-M418 HydrophobicContact CG-CG 4.14Å; W414-M418 HydrophobicContact CH2-CE 4.35Å; W414-M418 HydrophobicContact CH2-CG 4.02Å; W414-M418 HydrophobicContact CZ2-CE 3.91Å; W414-M418 HydrophobicContact CZ2-CG 3.64Å; W414-M418 HydrophobicContact CZ2-SD 3.88Å; W414-M418 HydrophobicContact CZ3-CG 4.17Å; W414-M418 WeakPolarHBondContact O-CG 3.44Å; W414-M418 PolarHBondContact O-N 3.25Å; I416-M418 PolarHBondContact O-N 3.47Å; M418-F424 WeakPolarHBondContact O-CE2 3.47Å; M418-F424 HydrophobicContact SD-CZ 4.27Å; M418-P430 HydrophobicContact CE-CB 4.1Å; M418-P430 HydrophobicContact CE-CG 4.04Å; M418-P463 HydrophobicContact CE-CG 3.98Å; M418-P463 HydrophobicContact SD-CG 3.51Å; M418-P463 VanDerWaalsContact SD-CG 3.51Å; M418-W466 HydrophobicContact CG-CZ2 4.23Å; M418-W466 HydrophobicContact SD-CZ2 4.02Å
419	R	97.9	Very high	95.7	Very high	24 Å²	24	28.1 Å²	28.1	9%	0.091	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	12.7	177.3	-55.2	-66.8	-75.1	153.4	1.5	113.2	L291 H294 T295 S296 I416 F417 P430 Y432	L291-R419 HydrophobicContact CB-CG 4.24Å; L291-R419 HydrophobicContact CD2-CB 4.01Å; L291-R419 HydrophobicContact CD2-CG 4.15Å; L291-R419 PolarHBondContact O-NE 3.37Å; L291-R419 PolarHBondContact O-NH2 3.06Å; L291-R419 VanDerWaalsContact O-NH2 3.13Å; H294-R419 PolarHBondContact O-NE 3.16Å; H294-R419 PolarHBondContact O-NH2 3.24Å; H294-R419 VanDerWaalsContact O-NH2 3.09Å; T295-R419 WeakPolarHBondContact CA-O 3.25Å; S296-R419 PolarHBondContact N-O 2.83Å; I416-R419 PolarHBondContact O-N 3.29Å; I416-R419 VanDerWaalsContact O-N 3.09Å; F417-R419 PolarHBondContact O-N 3.02Å; F417-R419 VanDerWaalsContact O-N 3.12Å; R419-P430 PolarHBondContact NH1-O 2.56Å; R419-Y432 HydrophobicContact CG-CD2 4.43Å
420	C	96.7	Very high	95.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-82.8	114.5	177.6	-179.8	0	0	0	0	111.6	S296 S301 F417 D422 L423 F424	S296-C420 CarbonylContact O-C 3.46Å; S296-C420 VanDerWaalsContact O-CA 3.26Å; S296-C420 WeakPolarHBondContact O-CA 3.43Å; S301-C420 WeakPolarHBondContact OG-CB 3.49Å; F417-C420 HydrophobicContact CD1-CB 4.14Å; F417-C420 VanDerWaalsContact O-CB 3.25Å; F417-C420 WeakPolarHBondContact O-CB 3.26Å; F417-C420 PolarHBondContact O-N 2.8Å; F417-C420 VanDerWaalsContact O-N 3.1Å; C420-D422 VanDerWaalsContact C-N 3.31Å; C420-D422 PolarHBondContact O-N 3.16Å; C420-L423 HydrophobicContact CB-CB 4.25Å; C420-L423 HydrophobicContact CB-CD1 3.98Å; C420-L423 HydrophobicContact CB-CG 4.19Å; C420-L423 PolarHBondContact O-N 2.81Å; C420-L423 VanDerWaalsContact O-N 3.12Å; C420-F424 WeakPolarHBondContact O-CD2 3.32Å
421	T	95.4	Very high	95.4	Very high	56 Å²	56	38.4 Å²	38.4	34%	0.344	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-59.2	-39.2	-178.5	61.5	0	0	0	0	112.7	S296 D297 L423 F424 I429	S296-T421 WeakPolarHBondContact O-CG2 3.47Å; S296-T421 PolarHBondContact O-N 2.75Å; S296-T421 PolarHBondContact O-OG1 2.77Å; D297-T421 WeakPolarHBondContact CA-OG1 3.37Å; T421-L423 PolarHBondContact O-N 3.46Å; T421-F424 PolarHBondContact O-N 3.45Å; T421-I429 HydrophobicContact CG2-CD1 3.53Å
422	D	93.3	Very high	95.3	Very high	36 Å²	36	40 Å²	40	19%	0.193	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-66.3	-16.7	179.8	-82.3	-75.2	0	0	0	113.1	W298 C420 W508 K512	W298-D422 HydrophobicContact CB-CB 3.96Å; W298-D422 WeakPolarHBondContact CB-OD2 3.23Å; W298-D422 PolarHBondContact N-OD2 2.92Å; C420-D422 VanDerWaalsContact C-N 3.31Å; C420-D422 PolarHBondContact O-N 3.16Å; D422-W508 HydrophobicContact CB-CH2 4.01Å; D422-W508 HydrophobicContact CB-CZ2 3.54Å; D422-W508 WeakPolarHBondContact OD1-CZ2 3.07Å; D422-K512 IonicContact OD1-NZ 3.77Å; D422-K512 PolarHBondContact OD1-NZ 3.22Å; D422-K512 IonicContact OD2-NZ 3.24Å
423	L	94.3	Very high	95.1	Very high	4 Å²	4	43 Å²	43	2%	0.021	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-91.3	-5.6	178.7	-76.7	178.1	0	0	0	114.6	W298 F417 C420 T421 P425 A465 W466 V473 L476	W298-L423 HydrophobicContact CE3-CD2 4.5Å; W298-L423 HydrophobicContact CE3-CG 4.34Å; W298-L423 HydrophobicContact CZ3-CD1 4.24Å; W298-L423 HydrophobicContact CZ3-CD2 4.03Å; W298-L423 HydrophobicContact CZ3-CG 4.19Å; F417-L423 HydrophobicContact CB-CD1 3.89Å; F417-L423 HydrophobicContact CD1-CD1 3.88Å; F417-L423 HydrophobicContact CG-CD1 4.34Å; C420-L423 HydrophobicContact CB-CB 4.25Å; C420-L423 HydrophobicContact CB-CD1 3.98Å; C420-L423 HydrophobicContact CB-CG 4.19Å; C420-L423 PolarHBondContact O-N 2.81Å; C420-L423 VanDerWaalsContact O-N 3.12Å; T421-L423 PolarHBondContact O-N 3.46Å; L423-P425 WeakPolarHBondContact O-CD 3.39Å; L423-A465 CarbonylContact O-C 3.53Å; L423-A465 WeakPolarHBondContact O-CB 3.49Å; L423-W466 HydrophobicContact CD1-CD2 3.98Å; L423-W466 HydrophobicContact CD1-CE3 4.38Å; L423-W466 HydrophobicContact CD1-CG 4.43Å; L423-W466 HydrophobicContact CD1-CH2 4.46Å; L423-W466 HydrophobicContact CD1-CZ2 4.04Å; L423-W466 HydrophobicContact CD2-CG 4.32Å; L423-V473 HydrophobicContact CD2-CB 4.49Å; L423-V473 HydrophobicContact CD2-CG1 4.03Å; L423-V473 HydrophobicContact CD2-CG2 3.71Å; L423-L476 HydrophobicContact CD1-CD2 3.96Å
424	F	94.1	Very high	95	Very high	10 Å²	10	43.6 Å²	43.6	4%	0.044	26%	0.255	C	S	.	.	S	Bend	trans	-122.8	57.7	175.6	-60.4	-87.4	0	0	0	111.6	M418 C420 T421 G426 E427 I429 P430 P463 A465 W466	M418-F424 WeakPolarHBondContact O-CE2 3.47Å; M418-F424 HydrophobicContact SD-CZ 4.27Å; C420-F424 WeakPolarHBondContact O-CD2 3.32Å; T421-F424 PolarHBondContact O-N 3.45Å; F424-G426 PolarHBondContact O-N 2.83Å; F424-E427 HydrophobicContact CB-CB 4.3Å; F424-E427 PolarHBondContact O-N 3.27Å; F424-E427 VanDerWaalsContact O-N 3.1Å; F424-I429 HydrophobicContact CB-CG1 4.08Å; F424-I429 HydrophobicContact CD2-CB 4.39Å; F424-I429 HydrophobicContact CD2-CG1 4.17Å; F424-I429 HydrophobicContact CD2-CG2 4.06Å; F424-I429 HydrophobicContact CE2-CG2 4.28Å; F424-I429 HydrophobicContact CG-CG1 4.38Å; F424-P430 HydrophobicContact CD1-CG 4.46Å; F424-P430 VanDerWaalsContact CE1-CD 3.42Å; F424-P430 HydrophobicContact CE1-CG 3.75Å; F424-P430 VanDerWaalsContact CZ-CD 3.45Å; F424-P430 HydrophobicContact CZ-CG 3.88Å; F424-P463 HydrophobicContact CE1-CB 3.97Å; F424-P463 HydrophobicContact CE1-CG 3.98Å; F424-P463 HydrophobicContact CZ-CB 4.48Å; F424-P463 HydrophobicContact CZ-CG 4.03Å; F424-A465 HydrophobicContact CD1-CB 3.44Å; F424-A465 VanDerWaalsContact CD1-CB 3.44Å; F424-A465 HydrophobicContact CE1-CB 3.79Å; F424-A465 HydrophobicContact CG-CB 4.27Å; F424-W466 AromaticContact CE2-NE1 3.82Å; F424-W466 AromaticContact CZ-NE1 3.5Å
425	P	88.9	Confident	94.8	Very high	86 Å²	86	43 Å²	43	56%	0.558	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	105.8	-172.7	28.8	-36	0	0	0	112.2	L423	L423-P425 WeakPolarHBondContact O-CD 3.39Å
426	G	85	Confident	94.8	Very high	89 Å²	89	43 Å²	43	92%	0.918	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	7.5	-177.4	0	0	0	0	0	114.4	F424	F424-G426 PolarHBondContact O-N 2.83Å
427	E	90.9	Very high	94.7	Very high	92 Å²	92	45.1 Å²	45.1	43%	0.43	26%	0.262	S	S	.	.	S	Bend	trans	-119.2	154.8	-179.8	-64.5	173.7	-140.4	0	0	109.5	F424 I429 A465 K467	F424-E427 HydrophobicContact CB-CB 4.3Å; F424-E427 PolarHBondContact O-N 3.27Å; F424-E427 VanDerWaalsContact O-N 3.1Å; E427-I429 PolarHBondContact O-N 2.94Å; E427-A465 WeakPolarHBondContact OE2-CB 3.42Å; E427-K467 IonicContact OE1-NZ 2.74Å; E427-K467 PolarHBondContact OE1-NZ 2.73Å
428	S	92.1	Very high	94.5	Very high	111 Å²	111	49.8 Å²	49.8	78%	0.776	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-75.2	123.8	176.3	54.5	0	0	0	0	110.6	P430	S428-P430 WeakPolarHBondContact O-CD 3.13Å
429	I	94.9	Very high	94.4	Very high	47 Å²	47	51.9 Å²	51.9	24%	0.241	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-62.6	123.9	179.1	-55.2	158.4	0	0	0	109	T295 T421 F424 E427	T295-I429 HydrophobicContact CG2-CB 4.34Å; T295-I429 HydrophobicContact CG2-CD1 3.84Å; T295-I429 HydrophobicContact CG2-CG2 3.95Å; T421-I429 HydrophobicContact CG2-CD1 3.53Å; F424-I429 HydrophobicContact CB-CG1 4.08Å; F424-I429 HydrophobicContact CD2-CB 4.39Å; F424-I429 HydrophobicContact CD2-CG1 4.17Å; F424-I429 HydrophobicContact CD2-CG2 4.06Å; F424-I429 HydrophobicContact CE2-CG2 4.28Å; F424-I429 HydrophobicContact CG-CG1 4.38Å; E427-I429 PolarHBondContact O-N 2.94Å
430	P	94.4	Very high	94.3	Very high	44 Å²	44	52.2 Å²	52.2	29%	0.286	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-56.4	145.3	-179.5	-26.1	35	0	0	0	112.6	M418 R419 F424 S428	M418-P430 HydrophobicContact CE-CB 4.1Å; M418-P430 HydrophobicContact CE-CG 4.04Å; R419-P430 PolarHBondContact NH1-O 2.56Å; F424-P430 HydrophobicContact CD1-CG 4.46Å; F424-P430 VanDerWaalsContact CE1-CD 3.42Å; F424-P430 HydrophobicContact CE1-CG 3.75Å; F424-P430 VanDerWaalsContact CZ-CD 3.45Å; F424-P430 HydrophobicContact CZ-CG 3.88Å; S428-P430 WeakPolarHBondContact O-CD 3.13Å
431	E	96.1	Very high	94.3	Very high	172 Å²	172	53.9 Å²	53.9	80%	0.804	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-57	151.7	170.1	-67.6	-168.8	163.4	0	0	111	Q433	E431-Q433 PolarHBondContact O-N 3.34Å
432	Y	97.2	Very high	94.2	Very high	33 Å²	33	55.7 Å²	55.7	13%	0.129	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-63.2	130.1	-179.1	170.4	-100.1	0	0	0	111.7	C288 L291 S336 E415 R419 M434	C288-Y432 PolarHBondContact SG-OH 3.05Å; L291-Y432 HydrophobicContact CB-CD2 3.55Å; L291-Y432 HydrophobicContact CB-CE2 3.82Å; L291-Y432 HydrophobicContact CB-CG 4.26Å; L291-Y432 HydrophobicContact CD1-CD2 4.38Å; L291-Y432 HydrophobicContact CD1-CE2 4.02Å; S336-Y432 PolarHBondContact OG-OH 3.08Å; E415-Y432 HydrophobicContact CB-CE2 4.18Å; E415-Y432 HydrophobicContact CG-CE2 4.29Å; E415-Y432 PolarHBondContact OE2-OH 2.98Å; R419-Y432 HydrophobicContact CG-CD2 4.43Å; Y432-M434 HydrophobicContact CE1-CG 4.32Å
433	Q	95.8	Very high	94.2	Very high	64 Å²	64	61.2 Å²	61.2	30%	0.299	35%	0.354	S	S	.	.			trans	-130.2	143.3	171.9	-67.2	-171.6	7.6	0	0	108.4	E431 Q437 T438	E431-Q433 PolarHBondContact O-N 3.34Å; Q433-Q437 HydrophobicContact CB-CB 4.18Å; Q433-T438 PolarHBondContact NE2-OG1 2.78Å; Q433-T438 PolarHBondContact OE1-OG1 3.06Å
434	M	95.3	Very high	94.3	Very high	12 Å²	12	61.8 Å²	61.8	6%	0.059	36%	0.358	C	S	.	.			trans	-67.5	156.2	164.6	-56	171.2	-76	0	0	109.7	R337 E415 Y432 F436 Q437	R337-M434 PolarHBondContact NH2-SD 2.93Å; E415-M434 WeakPolarHBondContact OE1-CA 3.12Å; Y432-M434 HydrophobicContact CE1-CG 4.32Å; M434-F436 PolarHBondContact O-N 2.93Å; M434-Q437 HydrophobicContact CB-CB 4.36Å; M434-Q437 HydrophobicContact CE-CG 4.31Å; M434-Q437 VanDerWaalsContact CE-OE1 3.23Å; M434-Q437 WeakPolarHBondContact O-CB 3.02Å; M434-Q437 PolarHBondContact O-N 3.43Å
435	A	96.5	Very high	94.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	136.6	172.4	0	0	0	0	0	111.9	R381 L411 W414 E415 Q437 P460	R381-A435 WeakPolarHBondContact CD-O 3.3Å; R381-A435 VanDerWaalsContact CG-O 3.22Å; R381-A435 WeakPolarHBondContact CG-O 3.01Å; R381-A435 PolarHBondContact NH1-O 3.24Å; L411-A435 HydrophobicContact CB-CB 3.86Å; L411-A435 HydrophobicContact CD1-CB 4.37Å; L411-A435 HydrophobicContact CD2-CB 3.95Å; L411-A435 HydrophobicContact CG-CB 4.27Å; W414-A435 HydrophobicContact CE3-CB 4.41Å; E415-A435 PolarHBondContact OE1-N 2.78Å; A435-Q437 PolarHBondContact O-N 2.88Å; A435-P460 HydrophobicContact CB-CG 3.87Å
436	F	97.8	Very high	94.6	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	12.6	-175.8	-48.9	-77.3	0	0	0	116.5	R381 L411 M434 E439 V440 M449 L452 V453 P460	R381-F436 VanDerWaalsContact NH1-C 3.3Å; R381-F436 PolarHBondContact NH1-O 3.3Å; L411-F436 HydrophobicContact CD1-CE2 4Å; L411-F436 HydrophobicContact CD2-CD2 4.45Å; L411-F436 HydrophobicContact CD2-CE2 3.62Å; L411-F436 HydrophobicContact CD2-CZ 4.06Å; L411-F436 HydrophobicContact CG-CE2 4.5Å; M434-F436 PolarHBondContact O-N 2.93Å; F436-E439 VanDerWaalsContact C-OE2 3.31Å; F436-E439 VanDerWaalsContact CA-OE2 3.23Å; F436-E439 WeakPolarHBondContact CA-OE2 3.29Å; F436-E439 PolarHBondContact O-N 3.3Å; F436-V440 HydrophobicContact CB-CG2 4.01Å; F436-V440 WeakPolarHBondContact O-CG2 3.3Å; F436-V440 PolarHBondContact O-N 3.21Å; F436-V440 VanDerWaalsContact O-N 3.08Å; F436-M449 HydrophobicContact CD2-CE 3.64Å; F436-M449 HydrophobicContact CE2-CE 3.9Å; F436-M449 HydrophobicContact CG-CE 4.08Å; F436-L452 HydrophobicContact CB-CD2 4.2Å; F436-L452 HydrophobicContact CD1-CD2 3.54Å; F436-L452 HydrophobicContact CD1-CG 4.42Å; F436-L452 HydrophobicContact CE1-CD2 4.15Å; F436-L452 HydrophobicContact CG-CD2 4.13Å; F436-V453 HydrophobicContact CD1-CG2 4.49Å; F436-V453 HydrophobicContact CE1-CG2 3.74Å; F436-V453 HydrophobicContact CE2-CG2 3.86Å; F436-V453 HydrophobicContact CZ-CG2 3.38Å; F436-P460 HydrophobicContact CD1-CG 4.21Å; F436-P460 HydrophobicContact CD2-CG 4.37Å; F436-P460 HydrophobicContact CE1-CG 4.09Å; F436-P460 HydrophobicContact CE2-CG 4.23Å; F436-P460 HydrophobicContact CG-CG 4.37Å; F436-P460 HydrophobicContact CZ-CG 4.09Å
437	Q	96.5	Very high	95.2	Very high	45 Å²	45	66 Å²	66	21%	0.21	35%	0.351	C	S	.	.	H	α-helix	trans	-72.5	-26.8	-177.6	-174.7	-177.6	-40.1	0	0	113.4	Q433 M434 A435 G441 N442	Q433-Q437 HydrophobicContact CB-CB 4.18Å; M434-Q437 HydrophobicContact CB-CB 4.36Å; M434-Q437 HydrophobicContact CE-CG 4.31Å; M434-Q437 VanDerWaalsContact CE-OE1 3.23Å; M434-Q437 WeakPolarHBondContact O-CB 3.02Å; M434-Q437 PolarHBondContact O-N 3.43Å; A435-Q437 PolarHBondContact O-N 2.88Å; Q437-G441 WeakPolarHBondContact O-CA 3.29Å; Q437-G441 PolarHBondContact O-N 2.73Å; Q437-G441 VanDerWaalsContact O-N 3.14Å; Q437-N442 PolarHBondContact NE2-OD1 3.14Å
438	T	94.4	Very high	95.5	Very high	99 Å²	99	65 Å²	65	61%	0.607	35%	0.349	S	S	*	.	H	α-helix	trans	-72.7	-35.7	172.4	-79.6	0	0	0	0	111.3	Q433	Q433-T438 PolarHBondContact NE2-OG1 2.78Å; Q433-T438 PolarHBondContact OE1-OG1 3.06Å
439	E	95.6	Very high	95.7	Very high	65 Å²	65	59.8 Å²	59.8	30%	0.304	31%	0.312	S	S	.	.	H	α-helix	trans	-79.5	-42.3	-173.2	-66.9	79.5	176.8	0	0	113.1	F436 L452	F436-E439 VanDerWaalsContact C-OE2 3.31Å; F436-E439 VanDerWaalsContact CA-OE2 3.23Å; F436-E439 WeakPolarHBondContact CA-OE2 3.29Å; F436-E439 PolarHBondContact O-N 3.3Å; E439-L452 HydrophobicContact CB-CD1 4.42Å; E439-L452 HydrophobicContact CB-CD2 3.86Å
440	V	96.1	Very high	95.8	Very high	32 Å²	32	59.6 Å²	59.6	19%	0.194	31%	0.31	C	S	.	.	H	α-helix	trans	-132.5	21.8	-173.7	-68.7	0	0	0	0	113.4	F436 P444 D448 M449 L452	F436-V440 HydrophobicContact CB-CG2 4.01Å; F436-V440 WeakPolarHBondContact O-CG2 3.3Å; F436-V440 PolarHBondContact O-N 3.21Å; F436-V440 VanDerWaalsContact O-N 3.08Å; V440-P444 HydrophobicContact CB-CB 3.94Å; V440-P444 HydrophobicContact CG2-CB 3.63Å; V440-P444 HydrophobicContact CG2-CG 4.15Å; V440-D448 HydrophobicContact CB-CB 4.45Å; V440-D448 HydrophobicContact CG1-CB 4.01Å; V440-M449 HydrophobicContact CG2-SD 3.85Å; V440-L452 HydrophobicContact CG1-CD2 3.94Å; V440-L452 HydrophobicContact CG2-CD2 4.3Å
441	G	95.5	Very high	96	Very high	34 Å²	34	59.4 Å²	59.4	35%	0.351	31%	0.308	S	S	.	.			trans	64.8	-157.3	174.5	0	0	0	0	0	114	R381 Q437	R381-G441 PolarHBondContact NH2-O 3.28Å; Q437-G441 WeakPolarHBondContact O-CA 3.29Å; Q437-G441 PolarHBondContact O-N 2.73Å; Q437-G441 VanDerWaalsContact O-N 3.14Å
442	N	93.2	Very high	96.1	Very high	95 Å²	95	52.1 Å²	52.1	51%	0.508	27%	0.274	S	S	.	.	S	Bend	trans	-80.7	-35.6	-173.8	-71.7	-25.9	0	0	0	114.2	R381 Q437 P444	R381-N442 PolarHBondContact NH2-O 2.81Å; Q437-N442 PolarHBondContact NE2-OD1 3.14Å; N442-P444 WeakPolarHBondContact O-CD 3.34Å
443	H	93.3	Very high	96.1	Very high	152 Å²	152	50.6 Å²	50.6	70%	0.704	27%	0.268	S	S	*	.	S	Bend	trans	-127.3	68.5	-170.5	-56.9	144.9	0	0	0	111.1
444	P	95.8	Very high	96.1	Very high	16 Å²	16	47.7 Å²	47.7	10%	0.104	26%	0.255	C	S	.	.			trans	-66.1	141.8	179	28.6	-36.1	0	0	0	111.3	R381 V440 N442 D448 M449	R381-P444 HydrophobicContact CB-CG 4.46Å; R381-P444 VanDerWaalsContact NH2-CD 3.28Å; V440-P444 HydrophobicContact CB-CB 3.94Å; V440-P444 HydrophobicContact CG2-CB 3.63Å; V440-P444 HydrophobicContact CG2-CG 4.15Å; N442-P444 WeakPolarHBondContact O-CD 3.34Å; P444-D448 HydrophobicContact CB-CB 4.36Å; P444-M449 HydrophobicContact CB-CG 4.05Å; P444-M449 HydrophobicContact CB-SD 4Å; P444-M449 HydrophobicContact CG-CG 4.25Å; P444-M449 HydrophobicContact CG-SD 4.08Å
445	T	96	Very high	96.1	Very high	74 Å²	74	54.1 Å²	54.1	45%	0.454	28%	0.279	S	S	.	.			trans	-74.4	167.7	168.2	73.2	0	0	0	0	110.7	E447 D448 M449	T445-E447 VanDerWaalsContact C-N 3.25Å; T445-E447 PolarHBondContact O-N 3.42Å; T445-E447 PolarHBondContact OG1-N 2.75Å; T445-D448 WeakPolarHBondContact CA-OD2 3.03Å; T445-D448 VanDerWaalsContact CB-OD2 3.24Å; T445-D448 WeakPolarHBondContact CB-OD2 3.34Å; T445-D448 WeakPolarHBondContact CG2-OD2 3.45Å; T445-D448 PolarHBondContact N-OD2 3.01Å; T445-D448 PolarHBondContact O-N 3.3Å; T445-D448 PolarHBondContact OG1-N 3.16Å; T445-D448 VanDerWaalsContact OG1-N 3.15Å; T445-D448 PolarHBondContact OG1-OD2 2.98Å; T445-M449 PolarHBondContact O-N 3.1Å
446	F	95	Very high	96.2	Very high	79 Å²	79	59.4 Å²	59.4	35%	0.346	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-34.1	172.8	-175.7	-90.3	0	0	0	112	I380 M383 L388 Q450	I380-F446 HydrophobicContact CD1-CB 4.38Å; M383-F446 HydrophobicContact SD-CD2 4.06Å; M383-F446 HydrophobicContact SD-CE2 3.92Å; L388-F446 HydrophobicContact CD2-CD2 3.98Å; L388-F446 HydrophobicContact CD2-CE2 3.86Å; L388-F446 HydrophobicContact CD2-CZ 4.36Å; L388-F446 WeakPolarHBondContact O-CE1 3.38Å; L388-F446 VanDerWaalsContact O-CZ 3.23Å; L388-F446 WeakPolarHBondContact O-CZ 3.5Å; F446-Q450 WeakPolarHBondContact O-CB 3.03Å; F446-Q450 PolarHBondContact O-N 2.83Å
447	E	96	Very high	96.2	Very high	121 Å²	121	65.4 Å²	65.4	57%	0.565	33%	0.33	S	S	*	.	H	α-helix	trans	-71.3	-41.4	178.3	-175.5	159.2	-153.7	0	0	111.9	T445 M449 Q450 V451	T445-E447 VanDerWaalsContact C-N 3.25Å; T445-E447 PolarHBondContact O-N 3.42Å; T445-E447 PolarHBondContact OG1-N 2.75Å; E447-M449 VanDerWaalsContact C-N 3.32Å; E447-M449 PolarHBondContact O-N 2.98Å; E447-Q450 PolarHBondContact O-N 2.79Å; E447-V451 HydrophobicContact CG-CG2 4.32Å; E447-V451 WeakPolarHBondContact O-CG2 3.36Å; E447-V451 PolarHBondContact O-N 3.24Å
448	D	97.3	Very high	96.2	Very high	71 Å²	71	67 Å²	67	38%	0.38	34%	0.337	S	S	.	.	H	α-helix	trans	-55.9	-47.9	174.9	-58	-53.2	0	0	0	111	V440 P444 T445 L452	V440-D448 HydrophobicContact CB-CB 4.45Å; V440-D448 HydrophobicContact CG1-CB 4.01Å; P444-D448 HydrophobicContact CB-CB 4.36Å; T445-D448 WeakPolarHBondContact CA-OD2 3.03Å; T445-D448 VanDerWaalsContact CB-OD2 3.24Å; T445-D448 WeakPolarHBondContact CB-OD2 3.34Å; T445-D448 WeakPolarHBondContact CG2-OD2 3.45Å; T445-D448 PolarHBondContact N-OD2 3.01Å; T445-D448 PolarHBondContact O-N 3.3Å; T445-D448 PolarHBondContact OG1-N 3.16Å; T445-D448 VanDerWaalsContact OG1-N 3.15Å; T445-D448 PolarHBondContact OG1-OD2 2.98Å; D448-L452 VanDerWaalsContact O-CB 3.25Å; D448-L452 WeakPolarHBondContact O-CB 3.18Å; D448-L452 PolarHBondContact O-N 3.35Å
449	M	97.6	Very high	96.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.6	-43	177.2	-68.7	-51.9	-57.4	0	0	112.1	I380 L388 F436 V440 P444 T445 E447 V451 L452 V453	I380-M449 HydrophobicContact CG2-CB 4.09Å; I380-M449 HydrophobicContact CG2-CG 3.49Å; I380-M449 VanDerWaalsContact CG2-CG 3.49Å; L388-M449 HydrophobicContact CD1-CB 3.98Å; L388-M449 HydrophobicContact CD2-CB 3.75Å; F436-M449 HydrophobicContact CD2-CE 3.64Å; F436-M449 HydrophobicContact CE2-CE 3.9Å; F436-M449 HydrophobicContact CG-CE 4.08Å; V440-M449 HydrophobicContact CG2-SD 3.85Å; P444-M449 HydrophobicContact CB-CG 4.05Å; P444-M449 HydrophobicContact CB-SD 4Å; P444-M449 HydrophobicContact CG-CG 4.25Å; P444-M449 HydrophobicContact CG-SD 4.08Å; T445-M449 PolarHBondContact O-N 3.1Å; E447-M449 VanDerWaalsContact C-N 3.32Å; E447-M449 PolarHBondContact O-N 2.98Å; M449-V451 VanDerWaalsContact C-N 3.33Å; M449-V451 PolarHBondContact O-N 2.82Å; M449-L452 PolarHBondContact O-N 3.04Å; M449-V453 HydrophobicContact CE-CG2 3.49Å; M449-V453 VanDerWaalsContact CE-CG2 3.49Å; M449-V453 VanDerWaalsContact O-CB 3.32Å; M449-V453 WeakPolarHBondContact O-CB 3.37Å; M449-V453 PolarHBondContact O-N 2.79Å
450	Q	96.7	Very high	96.5	Very high	43 Å²	43	60.9 Å²	60.9	20%	0.201	30%	0.3	C	S	.	.	I	π-helix	trans	-62.4	-40.4	178.5	-169.5	-166.3	92.4	0	0	111.6	L388 F446 E447 S454 R455	L388-Q450 HydrophobicContact CB-CB 4.27Å; L388-Q450 HydrophobicContact CB-CG 4.31Å; L388-Q450 PolarHBondContact O-NE2 2.86Å; F446-Q450 WeakPolarHBondContact O-CB 3.03Å; F446-Q450 PolarHBondContact O-N 2.83Å; E447-Q450 PolarHBondContact O-N 2.79Å; Q450-S454 WeakPolarHBondContact O-CA 3.44Å; Q450-S454 VanDerWaalsContact O-CB 3.24Å; Q450-S454 WeakPolarHBondContact O-CB 3.37Å; Q450-S454 PolarHBondContact O-N 2.62Å; Q450-S454 VanDerWaalsContact O-N 3.16Å; Q450-R455 PolarHBondContact O-N 3.42Å
451	V	97.6	Very high	96.4	Very high	41 Å²	41	66 Å²	66	25%	0.248	32%	0.32	C	S	.	.	I	π-helix	trans	-63.4	-56	174.2	173.9	0	0	0	0	110	E447 M449 R455 E456	E447-V451 HydrophobicContact CG-CG2 4.32Å; E447-V451 WeakPolarHBondContact O-CG2 3.36Å; E447-V451 PolarHBondContact O-N 3.24Å; M449-V451 VanDerWaalsContact C-N 3.33Å; M449-V451 PolarHBondContact O-N 2.82Å; V451-R455 WeakPolarHBondContact O-CB 3.5Å; V451-R455 PolarHBondContact O-N 3.18Å; V451-E456 HydrophobicContact CG1-CG 4.21Å; V451-E456 WeakPolarHBondContact O-CB 3.2Å; V451-E456 PolarHBondContact O-N 2.74Å
452	L	98.3	Very high	96.5	Very high	19 Å²	19	66.1 Å²	66.1	10%	0.099	31%	0.311	C	S	.	.	I	π-helix	trans	-63.7	-49.8	-173.7	-174.6	70.4	0	0	0	113.4	F436 E439 V440 D448 M449 K457 Q458	F436-L452 HydrophobicContact CB-CD2 4.2Å; F436-L452 HydrophobicContact CD1-CD2 3.54Å; F436-L452 HydrophobicContact CD1-CG 4.42Å; F436-L452 HydrophobicContact CE1-CD2 4.15Å; F436-L452 HydrophobicContact CG-CD2 4.13Å; E439-L452 HydrophobicContact CB-CD1 4.42Å; E439-L452 HydrophobicContact CB-CD2 3.86Å; V440-L452 HydrophobicContact CG1-CD2 3.94Å; V440-L452 HydrophobicContact CG2-CD2 4.3Å; D448-L452 VanDerWaalsContact O-CB 3.25Å; D448-L452 WeakPolarHBondContact O-CB 3.18Å; D448-L452 PolarHBondContact O-N 3.35Å; M449-L452 PolarHBondContact O-N 3.04Å; L452-K457 PolarHBondContact O-N 3.46Å; L452-Q458 HydrophobicContact CD1-CB 3.67Å; L452-Q458 HydrophobicContact CD1-CG 3.71Å; L452-Q458 HydrophobicContact CG-CB 3.98Å; L452-Q458 HydrophobicContact CG-CG 4.48Å; L452-Q458 WeakPolarHBondContact O-CB 3.46Å; L452-Q458 PolarHBondContact O-N 3.09Å
453	V	97.9	Very high	96.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.297	C	S	.	.	I	π-helix	trans	-90.1	-38.2	-169.8	167.9	0	0	0	0	112.9	P385 L388 Y407 F436 M449 K457 R459 Q486	P385-V453 HydrophobicContact CB-CG1 4.32Å; P385-V453 HydrophobicContact CG-CG1 3.77Å; L388-V453 HydrophobicContact CD1-CB 3.83Å; L388-V453 HydrophobicContact CD1-CG1 3.83Å; Y407-V453 HydrophobicContact CE2-CG1 4.46Å; Y407-V453 VanDerWaalsContact OH-CG1 3.24Å; Y407-V453 WeakPolarHBondContact OH-CG1 3.34Å; F436-V453 HydrophobicContact CD1-CG2 4.49Å; F436-V453 HydrophobicContact CE1-CG2 3.74Å; F436-V453 HydrophobicContact CE2-CG2 3.86Å; F436-V453 HydrophobicContact CZ-CG2 3.38Å; M449-V453 HydrophobicContact CE-CG2 3.49Å; M449-V453 VanDerWaalsContact CE-CG2 3.49Å; M449-V453 VanDerWaalsContact O-CB 3.32Å; M449-V453 WeakPolarHBondContact O-CB 3.37Å; M449-V453 PolarHBondContact O-N 2.79Å; V453-K457 WeakPolarHBondContact O-CA 3.42Å; V453-R459 PolarHBondContact O-NH1 2.73Å; V453-R459 VanDerWaalsContact O-NH1 3.13Å; V453-Q486 PolarHBondContact O-OE1 3.29Å
454	S	95.4	Very high	96.3	Very high	4 Å²	4	64.2 Å²	64.2	3%	0.028	30%	0.302	C	S	.	.	I	π-helix	trans	-94.2	-51.4	-176.4	-57.2	0	0	0	0	112.6	P385 E389 Q450 K457 Q486	P385-S454 VanDerWaalsContact CA-OG 3.31Å; P385-S454 WeakPolarHBondContact CA-OG 3.34Å; P385-S454 PolarHBondContact O-OG 2.83Å; E389-S454 WeakPolarHBondContact OE1-CB 3.43Å; Q450-S454 WeakPolarHBondContact O-CA 3.44Å; Q450-S454 VanDerWaalsContact O-CB 3.24Å; Q450-S454 WeakPolarHBondContact O-CB 3.37Å; Q450-S454 PolarHBondContact O-N 2.62Å; Q450-S454 VanDerWaalsContact O-N 3.16Å; S454-K457 WeakPolarHBondContact O-CG 3.3Å; S454-Q486 PolarHBondContact O-NE2 3.4Å
455	R	95.6	Very high	96.1	Very high	146 Å²	146	63.7 Å²	63.7	55%	0.551	30%	0.299	S	S	*	.	I	π-helix	trans	-78.5	-50.6	-175.9	-53.6	-177.4	-166.5	168.7	6.3	112.3	Q450 V451	Q450-R455 PolarHBondContact O-N 3.42Å; V451-R455 WeakPolarHBondContact O-CB 3.5Å; V451-R455 PolarHBondContact O-N 3.18Å
456	E	97.8	Very high	96	Very high	112 Å²	112	60.3 Å²	60.3	52%	0.523	28%	0.278	S	S	.	.	S	Bend	trans	-88.2	-10.7	-178.8	-62.9	-174.4	172.4	0	0	114	V451 Q458	V451-E456 HydrophobicContact CG1-CG 4.21Å; V451-E456 WeakPolarHBondContact O-CB 3.2Å; V451-E456 PolarHBondContact O-N 2.74Å; E456-Q458 HydrophobicContact CB-CG 4.05Å; E456-Q458 PolarHBondContact O-N 2.76Å; E456-Q458 VanDerWaalsContact O-N 3.14Å; E456-Q458 PolarHBondContact O-NE2 2.78Å
457	K	97.7	Very high	95.5	Very high	126 Å²	126	61 Å²	61	55%	0.548	28%	0.281	S	S	.	.			trans	55.6	28.5	176.1	-55.4	-172.8	178.8	-173.8	0	114.4	L452 V453 S454 Q486	L452-K457 PolarHBondContact O-N 3.46Å; V453-K457 WeakPolarHBondContact O-CA 3.42Å; S454-K457 WeakPolarHBondContact O-CG 3.3Å; K457-Q486 HydrophobicContact CD-CG 4.05Å; K457-Q486 HydrophobicContact CG-CG 4.49Å
458	Q	97.8	Very high	94.7	Very high	77 Å²	77	59 Å²	59	36%	0.36	27%	0.271	S	S	.	.			trans	-69.8	156.5	176.2	-60	-57.5	-64.4	0	0	111.3	L452 E456	L452-Q458 HydrophobicContact CD1-CB 3.67Å; L452-Q458 HydrophobicContact CD1-CG 3.71Å; L452-Q458 HydrophobicContact CG-CB 3.98Å; L452-Q458 HydrophobicContact CG-CG 4.48Å; L452-Q458 WeakPolarHBondContact O-CB 3.46Å; L452-Q458 PolarHBondContact O-N 3.09Å; E456-Q458 HydrophobicContact CB-CG 4.05Å; E456-Q458 PolarHBondContact O-N 2.76Å; E456-Q458 VanDerWaalsContact O-N 3.14Å; E456-Q458 PolarHBondContact O-NE2 2.78Å
459	R	98.3	Very high	93.9	Very high	34 Å²	34	63.1 Å²	63.1	13%	0.128	29%	0.294	C	S	.	.			trans	-140.1	157.8	174.8	-63.3	-63.1	-177.2	-89.3	0.6	108.6	V453 K461 W484	V453-R459 PolarHBondContact O-NH1 2.73Å; V453-R459 VanDerWaalsContact O-NH1 3.13Å; R459-K461 PolarHBondContact O-N 3.48Å; R459-W484 HydrophobicContact CB-CD2 4.18Å; R459-W484 HydrophobicContact CB-CH2 4.28Å; R459-W484 HydrophobicContact CB-CZ2 3.78Å; R459-W484 HydrophobicContact CG-CD2 4.17Å; R459-W484 HydrophobicContact CG-CG 4.2Å; R459-W484 HydrophobicContact CG-CZ2 4.45Å; R459-W484 PolarHBondContact NE-O 2.8Å; R459-W484 PolarHBondContact NH2-O 2.79Å
460	P	97.6	Very high	93.4	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.013	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-56.4	126	176.5	-22.6	34.3	0	0	0	110.4	L411 W414 A435 F436 W484	L411-P460 HydrophobicContact CD2-CG 3.77Å; W414-P460 HydrophobicContact CD2-CB 3.56Å; W414-P460 HydrophobicContact CD2-CG 4.44Å; W414-P460 VanDerWaalsContact CE2-CB 3.48Å; W414-P460 HydrophobicContact CE3-CB 4.01Å; W414-P460 HydrophobicContact CG-CB 3.88Å; W414-P460 HydrophobicContact CH2-CB 4.33Å; W414-P460 HydrophobicContact CZ2-CB 3.89Å; W414-P460 HydrophobicContact CZ3-CB 4.39Å; A435-P460 HydrophobicContact CB-CG 3.87Å; F436-P460 HydrophobicContact CD1-CG 4.21Å; F436-P460 HydrophobicContact CD2-CG 4.37Å; F436-P460 HydrophobicContact CE1-CG 4.09Å; F436-P460 HydrophobicContact CE2-CG 4.23Å; F436-P460 HydrophobicContact CG-CG 4.37Å; F436-P460 HydrophobicContact CZ-CG 4.09Å; P460-W484 HydrophobicContact CB-CH2 4.36Å; P460-W484 HydrophobicContact CB-CZ3 4.26Å; P460-W484 HydrophobicContact CG-CH2 4.49Å; P460-W484 HydrophobicContact CG-CZ3 4Å; P460-W484 VanDerWaalsContact O-CH2 3.23Å; P460-W484 WeakPolarHBondContact O-CH2 3.36Å
461	K	95.2	Very high	93.1	Very high	139 Å²	139	66.4 Å²	66.4	60%	0.604	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-71.8	138.7	-170.8	-66.7	171.3	-176.1	167.6	0	111.2	W414 R459	W414-K461 PolarHBondContact NE1-O 2.83Å; R459-K461 PolarHBondContact O-N 3.48Å
462	F	95.7	Very high	92.9	Very high	38 Å²	38	64.4 Å²	64.4	17%	0.167	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-74.6	129	166.7	-59.4	-56	0	0	0	109.5	W466 K477 I480 E481 W484	F462-W466 HydrophobicContact CB-CE3 4.34Å; F462-W466 HydrophobicContact CD1-CD2 4.4Å; F462-W466 AromaticContact CD1-CE3 3.54Å; F462-W466 HydrophobicContact CD1-CE3 3.54Å; F462-W466 AromaticContact CD1-CH2 3.98Å; F462-W466 HydrophobicContact CD1-CH2 3.98Å; F462-W466 AromaticContact CD1-CZ3 3.31Å; F462-W466 HydrophobicContact CD1-CZ3 3.31Å; F462-W466 HydrophobicContact CE1-CE3 4.18Å; F462-W466 HydrophobicContact CE1-CH2 4.28Å; F462-W466 AromaticContact CE1-CZ3 3.59Å; F462-W466 HydrophobicContact CE1-CZ3 3.59Å; F462-W466 HydrophobicContact CG-CE3 4.19Å; F462-W466 HydrophobicContact CG-CZ3 4.37Å; F462-K477 HydrophobicContact CD1-CG 4.38Å; F462-K477 HydrophobicContact CD2-CD 3.86Å; F462-K477 HydrophobicContact CD2-CG 3.98Å; F462-K477 HydrophobicContact CE1-CG 4.36Å; F462-K477 HydrophobicContact CE2-CB 4.05Å; F462-K477 HydrophobicContact CE2-CD 4.2Å; F462-K477 HydrophobicContact CE2-CG 3.94Å; F462-K477 HydrophobicContact CG-CD 4.22Å; F462-K477 HydrophobicContact CG-CG 4.2Å; F462-K477 HydrophobicContact CZ-CB 4.21Å; F462-K477 HydrophobicContact CZ-CG 4.14Å; F462-I480 HydrophobicContact CE1-CB 4.3Å; F462-I480 HydrophobicContact CE1-CD1 3.92Å; F462-I480 HydrophobicContact CE1-CG2 3.97Å; F462-I480 HydrophobicContact CZ-CB 4.05Å; F462-I480 HydrophobicContact CZ-CD1 4.46Å; F462-I480 HydrophobicContact CZ-CG2 3.81Å; F462-E481 HydrophobicContact CE2-CG 3.9Å; F462-E481 HydrophobicContact CZ-CG 4.13Å; F462-W484 AromaticContact CE1-CH2 3.9Å; F462-W484 HydrophobicContact CE1-CH2 3.9Å; F462-W484 HydrophobicContact CE1-CZ2 4.16Å; F462-W484 HydrophobicContact CE2-CZ2 4.05Å; F462-W484 AromaticContact CZ-CH2 3.81Å; F462-W484 HydrophobicContact CZ-CH2 3.81Å; F462-W484 AromaticContact CZ-CZ2 3.58Å; F462-W484 HydrophobicContact CZ-CZ2 3.58Å
463	P	93.4	Very high	92.7	Very high	33 Å²	33	63.8 Å²	63.8	21%	0.214	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-64.5	149.3	174.3	-23.1	34.6	0	0	0	112.6	M418 F424 A465 W466	M418-P463 HydrophobicContact CE-CG 3.98Å; M418-P463 HydrophobicContact SD-CG 3.51Å; M418-P463 VanDerWaalsContact SD-CG 3.51Å; F424-P463 HydrophobicContact CE1-CB 3.97Å; F424-P463 HydrophobicContact CE1-CG 3.98Å; F424-P463 HydrophobicContact CZ-CB 4.48Å; F424-P463 HydrophobicContact CZ-CG 4.03Å; P463-A465 HydrophobicContact CB-CB 4.32Å; P463-A465 PolarHBondContact O-N 3.3Å; P463-W466 WeakPolarHBondContact O-CB 3.42Å; P463-W466 PolarHBondContact O-N 2.77Å
464	E	90.7	Very high	92.5	Very high	174 Å²	174	67.9 Å²	67.9	81%	0.813	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.9	173.3	-63.9	-60	153	0	0	113.4	W466 K467	E464-W466 PolarHBondContact O-N 3.41Å; E464-K467 VanDerWaalsContact O-CE 3.26Å; E464-K467 WeakPolarHBondContact O-CE 3.3Å; E464-K467 WeakPolarHBondContact O-CG 3.35Å
465	A	91.2	Very high	92.5	Very high	5 Å²	5	69 Å²	69	4%	0.041	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-31.4	170.5	0	0	0	0	0	113	L423 F424 E427 P463 K467	L423-A465 CarbonylContact O-C 3.53Å; L423-A465 WeakPolarHBondContact O-CB 3.49Å; F424-A465 HydrophobicContact CD1-CB 3.44Å; F424-A465 VanDerWaalsContact CD1-CB 3.44Å; F424-A465 HydrophobicContact CE1-CB 3.79Å; F424-A465 HydrophobicContact CG-CB 4.27Å; E427-A465 WeakPolarHBondContact OE2-CB 3.42Å; P463-A465 HydrophobicContact CB-CB 4.32Å; P463-A465 PolarHBondContact O-N 3.3Å; A465-K467 PolarHBondContact O-N 2.59Å
466	W	92.6	Very high	92.6	Very high	3 Å²	3	62 Å²	62	1%	0.011	30%	0.295	C	S	.	.	S	Bend	trans	-77.5	62.3	-178.8	-66	26.7	0	0	0	111.3	F417 M418 L423 F424 F462 P463 E464 E468 V473 L476 K477 I480	F417-W466 HydrophobicContact CB-CH2 3.56Å; F417-W466 HydrophobicContact CB-CZ2 3.83Å; F417-W466 HydrophobicContact CB-CZ3 4.37Å; M418-W466 HydrophobicContact CG-CZ2 4.23Å; M418-W466 HydrophobicContact SD-CZ2 4.02Å; L423-W466 HydrophobicContact CD1-CD2 3.98Å; L423-W466 HydrophobicContact CD1-CE3 4.38Å; L423-W466 HydrophobicContact CD1-CG 4.43Å; L423-W466 HydrophobicContact CD1-CH2 4.46Å; L423-W466 HydrophobicContact CD1-CZ2 4.04Å; L423-W466 HydrophobicContact CD2-CG 4.32Å; F424-W466 AromaticContact CE2-NE1 3.82Å; F424-W466 AromaticContact CZ-NE1 3.5Å; F462-W466 HydrophobicContact CB-CE3 4.34Å; F462-W466 HydrophobicContact CD1-CD2 4.4Å; F462-W466 AromaticContact CD1-CE3 3.54Å; F462-W466 HydrophobicContact CD1-CE3 3.54Å; F462-W466 AromaticContact CD1-CH2 3.98Å; F462-W466 HydrophobicContact CD1-CH2 3.98Å; F462-W466 AromaticContact CD1-CZ3 3.31Å; F462-W466 HydrophobicContact CD1-CZ3 3.31Å; F462-W466 HydrophobicContact CE1-CE3 4.18Å; F462-W466 HydrophobicContact CE1-CH2 4.28Å; F462-W466 AromaticContact CE1-CZ3 3.59Å; F462-W466 HydrophobicContact CE1-CZ3 3.59Å; F462-W466 HydrophobicContact CG-CE3 4.19Å; F462-W466 HydrophobicContact CG-CZ3 4.37Å; P463-W466 WeakPolarHBondContact O-CB 3.42Å; P463-W466 PolarHBondContact O-N 2.77Å; E464-W466 PolarHBondContact O-N 3.41Å; W466-E468 PolarHBondContact O-N 2.56Å; W466-V473 HydrophobicContact CB-CG1 4.14Å; W466-L476 HydrophobicContact CZ3-CD2 4.21Å; W466-K477 HydrophobicContact CE3-CG 4.31Å; W466-K477 VanDerWaalsContact O-CE 3.26Å; W466-K477 WeakPolarHBondContact O-CE 3.26Å; W466-K477 PolarHBondContact O-NZ 2.9Å; W466-I480 HydrophobicContact CH2-CD1 4.3Å; W466-I480 HydrophobicContact CZ3-CD1 3.98Å
467	K	84.3	Confident	92.6	Very high	93 Å²	93	57.9 Å²	57.9	40%	0.404	28%	0.276	S	S	.	.			trans	-70.2	118.6	-175.8	-67	151.3	-167.6	154.8	0	109.9	E427 E464 A465 N469	E427-K467 IonicContact OE1-NZ 2.74Å; E427-K467 PolarHBondContact OE1-NZ 2.73Å; E464-K467 VanDerWaalsContact O-CE 3.26Å; E464-K467 WeakPolarHBondContact O-CE 3.3Å; E464-K467 WeakPolarHBondContact O-CG 3.35Å; A465-K467 PolarHBondContact O-N 2.59Å; K467-N469 PolarHBondContact O-N 3.25Å
468	E	79.9	Confident	92.6	Very high	78 Å²	78	55.7 Å²	55.7	36%	0.364	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	18.3	-176.1	-68.4	165.3	-140	0	0	114.9	W466 S470 R474 K477	W466-E468 PolarHBondContact O-N 2.56Å; E468-S470 PolarHBondContact O-N 3.42Å; E468-R474 HydrophobicContact CB-CB 4.39Å; E468-R474 HydrophobicContact CG-CB 4.32Å; E468-R474 PolarHBondContact O-NH1 3.11Å; E468-R474 PolarHBondContact O-NH2 3.23Å; E468-R474 IonicContact OE2-NE 3.15Å; E468-R474 IonicContact OE2-NH2 3.18Å; E468-K477 HydrophobicContact CG-CD 4.13Å; E468-K477 WeakPolarHBondContact OE1-CD 3.21Å; E468-K477 IonicContact OE1-NZ 2.62Å; E468-K477 PolarHBondContact OE1-NZ 3.38Å
469	N	80.2	Confident	92.6	Very high	159 Å²	159	52.1 Å²	52.1	85%	0.85	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.5	173.4	-60.5	-12.7	0	0	0	111.3	K467	K467-N469 PolarHBondContact O-N 3.25Å
470	S	87.5	Confident	92.7	Very high	22 Å²	22	50.5 Å²	50.5	15%	0.154	25%	0.245	C	C	.	.	S	Bend	trans	-97.8	131	172.1	174.5	0	0	0	0	110.6	E468 A472 V473 R474 N511	E468-S470 PolarHBondContact O-N 3.42Å; S470-A472 PolarHBondContact O-N 3.42Å; S470-V473 PolarHBondContact O-N 2.81Å; S470-R474 PolarHBondContact O-N 2.75Å; S470-N511 PolarHBondContact OG-ND2 2.69Å
471	L	91.1	Very high	92.7	Very high	89 Å²	89	54.5 Å²	54.5	47%	0.466	26%	0.264	S	S	.	.	H	α-helix	trans	-53.8	-39.7	175.7	178.3	60.6	0	0	0	112.2	V473 R474 S475 I507 N511	L471-V473 VanDerWaalsContact C-N 3.32Å; L471-V473 PolarHBondContact O-N 2.78Å; L471-R474 PolarHBondContact O-N 2.81Å; L471-S475 PolarHBondContact O-N 3.41Å; L471-S475 PolarHBondContact O-OG 3.33Å; L471-I507 HydrophobicContact CB-CG2 4.13Å; L471-I507 HydrophobicContact CD2-CG2 4.11Å; L471-I507 HydrophobicContact CG-CG2 4.12Å; L471-N511 PolarHBondContact N-ND2 2.92Å
472	A	92.1	Very high	92.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-34.9	178.7	0	0	0	0	0	113	W298 S470 L476 L504 I507 W508	W298-A472 HydrophobicContact CH2-CB 4.03Å; W298-A472 HydrophobicContact CZ2-CB 3.76Å; S470-A472 PolarHBondContact O-N 3.42Å; A472-L476 VanDerWaalsContact O-CB 3.25Å; A472-L476 WeakPolarHBondContact O-CB 3.38Å; A472-L476 PolarHBondContact O-N 2.86Å; A472-L504 HydrophobicContact CB-CD2 4.35Å; A472-L504 VanDerWaalsContact O-CD2 3.25Å; A472-L504 WeakPolarHBondContact O-CD2 3.46Å; A472-I507 HydrophobicContact CB-CB 4.25Å; A472-I507 HydrophobicContact CB-CG2 3.85Å; A472-W508 HydrophobicContact CB-CE3 3.82Å
473	V	93.9	Very high	93	Very high	6 Å²	6	48.7 Å²	48.7	4%	0.036	24%	0.241	C	C	.	.	H	α-helix	trans	-71	-39.5	178.4	-179.2	0	0	0	0	110.6	W298 L423 W466 S470 L471 L476 K477 W508	W298-V473 HydrophobicContact CZ3-CG2 4.47Å; L423-V473 HydrophobicContact CD2-CB 4.49Å; L423-V473 HydrophobicContact CD2-CG1 4.03Å; L423-V473 HydrophobicContact CD2-CG2 3.71Å; W466-V473 HydrophobicContact CB-CG1 4.14Å; S470-V473 PolarHBondContact O-N 2.81Å; L471-V473 VanDerWaalsContact C-N 3.32Å; L471-V473 PolarHBondContact O-N 2.78Å; V473-L476 PolarHBondContact O-N 3.36Å; V473-K477 PolarHBondContact O-N 2.76Å; V473-K477 VanDerWaalsContact O-N 3.08Å; V473-W508 HydrophobicContact CG2-CZ3 3.95Å
474	R	94.8	Very high	93.3	Very high	86 Å²	86	47.9 Å²	47.9	33%	0.325	23%	0.233	S	C	.	.	H	α-helix	trans	-63	-52.7	173.2	-177.8	-177.5	-64.5	87.5	11.1	111.2	E468 S470 L471 L476 K477 E478	E468-R474 HydrophobicContact CB-CB 4.39Å; E468-R474 HydrophobicContact CG-CB 4.32Å; E468-R474 PolarHBondContact O-NH1 3.11Å; E468-R474 PolarHBondContact O-NH2 3.23Å; E468-R474 IonicContact OE2-NE 3.15Å; E468-R474 IonicContact OE2-NH2 3.18Å; S470-R474 PolarHBondContact O-N 2.75Å; L471-R474 PolarHBondContact O-N 2.81Å; R474-L476 PolarHBondContact O-N 3.06Å; R474-K477 WeakPolarHBondContact O-CB 3.19Å; R474-K477 PolarHBondContact O-N 2.85Å; R474-E478 WeakPolarHBondContact CD-OE1 3.2Å; R474-E478 HydrophobicContact CG-CG 4.16Å; R474-E478 WeakPolarHBondContact CG-OE1 3.34Å; R474-E478 WeakPolarHBondContact O-CG 3.41Å; R474-E478 PolarHBondContact O-N 3.3Å
475	S	95.8	Very high	93.7	Very high	26 Å²	26	42.5 Å²	42.5	18%	0.182	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-18.3	-178.6	-60.6	0	0	0	0	113.8	L471 E478 T479	L471-S475 PolarHBondContact O-N 3.41Å; L471-S475 PolarHBondContact O-OG 3.33Å; S475-E478 VanDerWaalsContact CA-OE2 3.26Å; S475-E478 WeakPolarHBondContact CA-OE2 3.32Å; S475-E478 PolarHBondContact OG-OE2 3.44Å; S475-T479 VanDerWaalsContact O-CB 3.22Å; S475-T479 WeakPolarHBondContact O-CB 3.07Å; S475-T479 PolarHBondContact O-N 3.41Å; S475-T479 VanDerWaalsContact O-N 3.13Å; S475-T479 PolarHBondContact O-OG1 3.18Å
476	L	97.4	Very high	94	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.1	-50.9	164.2	173.5	64	0	0	0	111.7	W298 F417 L423 W466 A472 V473 R474 T479 I480 M501 L504	W298-L476 HydrophobicContact CH2-CB 4.02Å; W298-L476 HydrophobicContact CH2-CD2 3.77Å; W298-L476 HydrophobicContact CH2-CG 4.47Å; W298-L476 HydrophobicContact CZ3-CD2 3.8Å; F417-L476 HydrophobicContact CB-CD2 4.03Å; F417-L476 HydrophobicContact CD1-CD1 4.34Å; F417-L476 HydrophobicContact CD1-CD2 3.45Å; F417-L476 VanDerWaalsContact CD1-CD2 3.45Å; F417-L476 HydrophobicContact CD2-CD1 3.64Å; F417-L476 HydrophobicContact CD2-CD2 4.08Å; F417-L476 HydrophobicContact CD2-CG 4.47Å; F417-L476 HydrophobicContact CE1-CD1 4.24Å; F417-L476 HydrophobicContact CE1-CD2 3.83Å; F417-L476 HydrophobicContact CE2-CD1 3.53Å; F417-L476 HydrophobicContact CE2-CD2 4.42Å; F417-L476 HydrophobicContact CG-CD1 4.05Å; F417-L476 HydrophobicContact CG-CD2 3.58Å; F417-L476 HydrophobicContact CG-CG 4.41Å; F417-L476 HydrophobicContact CZ-CD1 3.84Å; F417-L476 HydrophobicContact CZ-CD2 4.3Å; L423-L476 HydrophobicContact CD1-CD2 3.96Å; W466-L476 HydrophobicContact CZ3-CD2 4.21Å; A472-L476 VanDerWaalsContact O-CB 3.25Å; A472-L476 WeakPolarHBondContact O-CB 3.38Å; A472-L476 PolarHBondContact O-N 2.86Å; V473-L476 PolarHBondContact O-N 3.36Å; R474-L476 PolarHBondContact O-N 3.06Å; L476-T479 PolarHBondContact O-N 2.78Å; L476-T479 VanDerWaalsContact O-N 3.15Å; L476-I480 HydrophobicContact CD1-CD1 3.79Å; L476-I480 HydrophobicContact CD1-CG1 4.21Å; L476-I480 HydrophobicContact CG-CD1 3.94Å; L476-I480 WeakPolarHBondContact O-CG1 3.39Å; L476-I480 PolarHBondContact O-N 3.47Å; L476-M501 HydrophobicContact CD1-CE 4.24Å; L476-L504 HydrophobicContact CB-CD1 4.14Å; L476-L504 HydrophobicContact CB-CD2 4.36Å; L476-L504 HydrophobicContact CD1-CD1 4.12Å
477	K	97.8	Very high	94.2	Very high	26 Å²	26	48.4 Å²	48.4	11%	0.113	24%	0.24	C	C	.	.	H	α-helix	trans	-56.6	-52.5	175	-69.9	-172.9	-172.2	-179.5	0	111	F462 W466 E468 V473 R474 T479 I480 E481	F462-K477 HydrophobicContact CD1-CG 4.38Å; F462-K477 HydrophobicContact CD2-CD 3.86Å; F462-K477 HydrophobicContact CD2-CG 3.98Å; F462-K477 HydrophobicContact CE1-CG 4.36Å; F462-K477 HydrophobicContact CE2-CB 4.05Å; F462-K477 HydrophobicContact CE2-CD 4.2Å; F462-K477 HydrophobicContact CE2-CG 3.94Å; F462-K477 HydrophobicContact CG-CD 4.22Å; F462-K477 HydrophobicContact CG-CG 4.2Å; F462-K477 HydrophobicContact CZ-CB 4.21Å; F462-K477 HydrophobicContact CZ-CG 4.14Å; W466-K477 HydrophobicContact CE3-CG 4.31Å; W466-K477 VanDerWaalsContact O-CE 3.26Å; W466-K477 WeakPolarHBondContact O-CE 3.26Å; W466-K477 PolarHBondContact O-NZ 2.9Å; E468-K477 HydrophobicContact CG-CD 4.13Å; E468-K477 WeakPolarHBondContact OE1-CD 3.21Å; E468-K477 IonicContact OE1-NZ 2.62Å; E468-K477 PolarHBondContact OE1-NZ 3.38Å; V473-K477 PolarHBondContact O-N 2.76Å; V473-K477 VanDerWaalsContact O-N 3.08Å; R474-K477 WeakPolarHBondContact O-CB 3.19Å; R474-K477 PolarHBondContact O-N 2.85Å; K477-T479 PolarHBondContact O-N 3.07Å; K477-T479 VanDerWaalsContact O-N 3.13Å; K477-I480 PolarHBondContact O-N 2.81Å; K477-E481 WeakPolarHBondContact O-CB 3.37Å; K477-E481 WeakPolarHBondContact O-CG 3Å; K477-E481 PolarHBondContact O-N 3.44Å
478	E	97.8	Very high	94.8	Very high	79 Å²	79	45 Å²	45	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-53.9	-35.1	176.4	-66.7	166.9	162	0	0	112.1	R474 S475 D482 R500	R474-E478 WeakPolarHBondContact CD-OE1 3.2Å; R474-E478 HydrophobicContact CG-CG 4.16Å; R474-E478 WeakPolarHBondContact CG-OE1 3.34Å; R474-E478 WeakPolarHBondContact O-CG 3.41Å; R474-E478 PolarHBondContact O-N 3.3Å; S475-E478 VanDerWaalsContact CA-OE2 3.26Å; S475-E478 WeakPolarHBondContact CA-OE2 3.32Å; S475-E478 PolarHBondContact OG-OE2 3.44Å; E478-D482 VanDerWaalsContact O-CB 3.25Å; E478-D482 WeakPolarHBondContact O-CB 3.04Å; E478-D482 PolarHBondContact O-N 2.8Å; E478-R500 PolarHBondContact O-NH1 3.38Å
479	T	98.4	Very high	95.5	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-79.7	-31.9	178.6	-59.9	0	0	0	0	113.2	Y413 S475 L476 K477 C483 L492 R500	Y413-T479 HydrophobicContact CE2-CG2 4.18Å; S475-T479 VanDerWaalsContact O-CB 3.22Å; S475-T479 WeakPolarHBondContact O-CB 3.07Å; S475-T479 PolarHBondContact O-N 3.41Å; S475-T479 VanDerWaalsContact O-N 3.13Å; S475-T479 PolarHBondContact O-OG1 3.18Å; L476-T479 PolarHBondContact O-N 2.78Å; L476-T479 VanDerWaalsContact O-N 3.15Å; K477-T479 PolarHBondContact O-N 3.07Å; K477-T479 VanDerWaalsContact O-N 3.13Å; T479-C483 WeakPolarHBondContact O-CB 3.38Å; T479-C483 PolarHBondContact O-N 2.95Å; T479-C483 PolarHBondContact O-SG 2.78Å; T479-L492 HydrophobicContact CG2-CD1 4.05Å; T479-R500 HydrophobicContact CG2-CB 4.07Å; T479-R500 WeakPolarHBondContact OG1-CD 3.39Å; T479-R500 PolarHBondContact OG1-NH1 2.92Å
480	I	98.8	Very high	96.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-70.8	-43.4	171.6	-68.8	165.4	0	0	0	109.7	Y413 F462 W466 L476 K477 C483 W484	Y413-I480 HydrophobicContact CD2-CG1 3.99Å; F462-I480 HydrophobicContact CE1-CB 4.3Å; F462-I480 HydrophobicContact CE1-CD1 3.92Å; F462-I480 HydrophobicContact CE1-CG2 3.97Å; F462-I480 HydrophobicContact CZ-CB 4.05Å; F462-I480 HydrophobicContact CZ-CD1 4.46Å; F462-I480 HydrophobicContact CZ-CG2 3.81Å; W466-I480 HydrophobicContact CH2-CD1 4.3Å; W466-I480 HydrophobicContact CZ3-CD1 3.98Å; L476-I480 HydrophobicContact CD1-CD1 3.79Å; L476-I480 HydrophobicContact CD1-CG1 4.21Å; L476-I480 HydrophobicContact CG-CD1 3.94Å; L476-I480 WeakPolarHBondContact O-CG1 3.39Å; L476-I480 PolarHBondContact O-N 3.47Å; K477-I480 PolarHBondContact O-N 2.81Å; I480-C483 WeakPolarHBondContact O-CB 3.08Å; I480-C483 PolarHBondContact O-N 3.15Å; I480-C483 VanDerWaalsContact O-N 3.1Å; I480-W484 HydrophobicContact CG2-CD2 3.75Å; I480-W484 HydrophobicContact CG2-CE3 3.5Å; I480-W484 HydrophobicContact CG2-CH2 3.46Å; I480-W484 VanDerWaalsContact CG2-CH2 3.46Å; I480-W484 HydrophobicContact CG2-CZ2 3.69Å; I480-W484 HydrophobicContact CG2-CZ3 3.36Å; I480-W484 PolarHBondContact O-N 3.44Å
481	E	98.6	Very high	96.9	Very high	87 Å²	87	43.4 Å²	43.4	41%	0.407	22%	0.223	S	C	.	.	H	α-helix	trans	-64	-49.6	179.4	-71	174	139.8	0	0	112	F462 K477 C483 W484 D485	F462-E481 HydrophobicContact CE2-CG 3.9Å; F462-E481 HydrophobicContact CZ-CG 4.13Å; K477-E481 WeakPolarHBondContact O-CB 3.37Å; K477-E481 WeakPolarHBondContact O-CG 3Å; K477-E481 PolarHBondContact O-N 3.44Å; E481-C483 PolarHBondContact O-N 2.77Å; E481-W484 PolarHBondContact O-N 3.49Å; E481-D485 PolarHBondContact O-N 2.92Å; E481-D485 VanDerWaalsContact O-N 3.15Å
482	D	98.7	Very high	97.2	Very high	55 Å²	55	40.1 Å²	40.1	29%	0.294	21%	0.205	S	C	.	.	H	α-helix	trans	-66.6	-12.2	173.3	-65.3	-17.8	0	0	0	112.9	E478 R491 L492 R500	E478-D482 VanDerWaalsContact O-CB 3.25Å; E478-D482 WeakPolarHBondContact O-CB 3.04Å; E478-D482 PolarHBondContact O-N 2.8Å; D482-R491 CarbonylContact O-C 3.28Å; D482-R491 WeakPolarHBondContact O-CA 3.03Å; D482-L492 HydrophobicContact CB-CD1 4.07Å; D482-L492 HydrophobicContact CB-CD2 3.7Å; D482-L492 HydrophobicContact CB-CG 3.59Å; D482-L492 PolarHBondContact O-N 3.44Å; D482-R500 IonicContact OD2-CZ 3.18Å; D482-R500 IonicContact OD2-NH1 3.94Å; D482-R500 PolarHBondContact OD2-NH1 3.44Å; D482-R500 IonicContact OD2-NH2 3.69Å; D482-R500 PolarHBondContact OD2-NH2 2.85Å
483	C	98.8	Very high	97.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-86.9	-37.7	170.5	-74.1	0	0	0	0	112.3	M406 Y407 T479 I480 E481 R491	M406-C483 CarbonylContact C-O 3.57Å; Y407-C483 WeakPolarHBondContact CA-O 3.25Å; Y407-C483 PolarHBondContact N-O 3.28Å; T479-C483 WeakPolarHBondContact O-CB 3.38Å; T479-C483 PolarHBondContact O-N 2.95Å; T479-C483 PolarHBondContact O-SG 2.78Å; I480-C483 WeakPolarHBondContact O-CB 3.08Å; I480-C483 PolarHBondContact O-N 3.15Å; I480-C483 VanDerWaalsContact O-N 3.1Å; E481-C483 PolarHBondContact O-N 2.77Å; C483-R491 VanDerWaalsContact O-CD 3.31Å; C483-R491 WeakPolarHBondContact O-CD 3.33Å; C483-R491 WeakPolarHBondContact O-CG 3.49Å
484	W	98.5	Very high	97.8	Very high	15 Å²	15	43.4 Å²	43.4	6%	0.057	23%	0.226	C	C	.	.	H	α-helix	trans	-102.3	15.7	-173.9	71.6	21.5	0	0	0	115.4	Y407 L411 W414 R459 P460 F462 I480 E481	Y407-W484 HydrophobicContact CD2-CB 3.98Å; Y407-W484 HydrophobicContact CE2-CB 4.04Å; L411-W484 HydrophobicContact CD2-CE3 3.87Å; L411-W484 HydrophobicContact CD2-CZ3 4.32Å; W414-W484 HydrophobicContact CB-CH2 4.19Å; W414-W484 HydrophobicContact CB-CZ3 3.69Å; W414-W484 HydrophobicContact CG-CH2 4.43Å; W414-W484 HydrophobicContact CG-CZ3 4.27Å; R459-W484 HydrophobicContact CB-CD2 4.18Å; R459-W484 HydrophobicContact CB-CH2 4.28Å; R459-W484 HydrophobicContact CB-CZ2 3.78Å; R459-W484 HydrophobicContact CG-CD2 4.17Å; R459-W484 HydrophobicContact CG-CG 4.2Å; R459-W484 HydrophobicContact CG-CZ2 4.45Å; R459-W484 PolarHBondContact NE-O 2.8Å; R459-W484 PolarHBondContact NH2-O 2.79Å; P460-W484 HydrophobicContact CB-CH2 4.36Å; P460-W484 HydrophobicContact CB-CZ3 4.26Å; P460-W484 HydrophobicContact CG-CH2 4.49Å; P460-W484 HydrophobicContact CG-CZ3 4Å; P460-W484 VanDerWaalsContact O-CH2 3.23Å; P460-W484 WeakPolarHBondContact O-CH2 3.36Å; F462-W484 AromaticContact CE1-CH2 3.9Å; F462-W484 HydrophobicContact CE1-CH2 3.9Å; F462-W484 HydrophobicContact CE1-CZ2 4.16Å; F462-W484 HydrophobicContact CE2-CZ2 4.05Å; F462-W484 AromaticContact CZ-CH2 3.81Å; F462-W484 HydrophobicContact CZ-CH2 3.81Å; F462-W484 AromaticContact CZ-CZ2 3.58Å; F462-W484 HydrophobicContact CZ-CZ2 3.58Å; I480-W484 HydrophobicContact CG2-CD2 3.75Å; I480-W484 HydrophobicContact CG2-CE3 3.5Å; I480-W484 HydrophobicContact CG2-CH2 3.46Å; I480-W484 VanDerWaalsContact CG2-CH2 3.46Å; I480-W484 HydrophobicContact CG2-CZ2 3.69Å; I480-W484 HydrophobicContact CG2-CZ3 3.36Å; I480-W484 PolarHBondContact O-N 3.44Å; E481-W484 PolarHBondContact O-N 3.49Å
485	D	98.7	Very high	97.9	Very high	61 Å²	61	42.9 Å²	42.9	33%	0.326	23%	0.227	S	C	.	.			trans	-50.8	148.2	-179	-159.4	-54.9	0	0	0	111.9	E481 D487 A490 R491	E481-D485 PolarHBondContact O-N 2.92Å; E481-D485 VanDerWaalsContact O-N 3.15Å; D485-D487 VanDerWaalsContact C-N 3.27Å; D485-D487 PolarHBondContact O-N 3.03Å; D485-D487 PolarHBondContact OD1-N 3.04Å; D485-A490 HydrophobicContact CB-CB 4.34Å; D485-R491 HydrophobicContact CB-CG 4.07Å; D485-R491 PolarHBondContact O-NE 2.04Å; D485-R491 PolarHBondContact O-NH2 3.47Å
486	Q	97.6	Very high	98.1	Very high	43 Å²	43	44.3 Å²	44.3	20%	0.201	24%	0.236	C	C	.	.	S	Bend	trans	-60.6	-39.5	173	-168.1	71.4	11.2	0	0	111.5	P385 V453 S454 K457 R491	P385-Q486 VanDerWaalsContact CB-NE2 3.34Å; V453-Q486 PolarHBondContact O-OE1 3.29Å; S454-Q486 PolarHBondContact O-NE2 3.4Å; K457-Q486 HydrophobicContact CD-CG 4.05Å; K457-Q486 HydrophobicContact CG-CG 4.49Å; Q486-R491 PolarHBondContact O-NH2 2.74Å
487	D	97.3	Very high	98.1	Very high	89 Å²	89	44.3 Å²	44.3	48%	0.476	24%	0.236	S	C	.	.	S	Bend	trans	-84	115.9	178	-173.7	-10.8	0	0	0	110.5	D485 E489 A490	D485-D487 VanDerWaalsContact C-N 3.27Å; D485-D487 PolarHBondContact O-N 3.03Å; D485-D487 PolarHBondContact OD1-N 3.04Å; D487-E489 PolarHBondContact O-N 3.25Å; D487-E489 PolarHBondContact OD1-N 3.1Å; D487-A490 HydrophobicContact CB-CB 3.91Å; D487-A490 WeakPolarHBondContact O-CB 3.29Å; D487-A490 PolarHBondContact O-N 3.09Å; D487-A490 VanDerWaalsContact O-N 3.13Å
488	A	96.8	Very high	98.1	Very high	23 Å²	23	44.8 Å²	44.8	19%	0.19	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.8	178.2	0	0	0	0	0	113.2	Q403 A490	Q403-A488 HydrophobicContact CB-CB 4.1Å; Q403-A488 VanDerWaalsContact CD-O 3.24Å; Q403-A488 WeakPolarHBondContact CG-O 3.49Å; Q403-A488 PolarHBondContact NE2-O 2.87Å; A488-A490 VanDerWaalsContact C-N 3.35Å
489	E	95.4	Very high	98.1	Very high	166 Å²	166	46 Å²	46	78%	0.776	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-18.9	175.5	-66	-171.8	-167.4	0	0	112.6	D487	D487-E489 PolarHBondContact O-N 3.25Å; D487-E489 PolarHBondContact OD1-N 3.1Å
490	A	97.8	Very high	98	Very high	51 Å²	51	48.8 Å²	48.8	42%	0.421	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-22.5	175.5	0	0	0	0	0	113.5	D485 D487 A488	D485-A490 HydrophobicContact CB-CB 4.34Å; D487-A490 HydrophobicContact CB-CB 3.91Å; D487-A490 WeakPolarHBondContact O-CB 3.29Å; D487-A490 PolarHBondContact O-N 3.09Å; D487-A490 VanDerWaalsContact O-N 3.13Å; A488-A490 VanDerWaalsContact C-N 3.35Å
491	R	98.6	Very high	97.9	Very high	8 Å²	8	48.8 Å²	48.8	3%	0.03	26%	0.255	C	S	.	.	S	Bend	trans	-65.1	146.1	-173.2	-66.6	175.9	-159.7	142.6	16.3	113.3	E386 Q403 D482 C483 D485 Q486	E386-R491 IonicContact OE1-CZ 2.85Å; E386-R491 IonicContact OE1-NH1 3.46Å; E386-R491 PolarHBondContact OE1-NH1 3.12Å; E386-R491 IonicContact OE1-NH2 3.16Å; E386-R491 IonicContact OE2-CZ 2.68Å; E386-R491 IonicContact OE2-NH1 3.19Å; E386-R491 PolarHBondContact OE2-NH1 2.79Å; E386-R491 IonicContact OE2-NH2 2.85Å; E386-R491 PolarHBondContact OE2-NH2 3.33Å; Q403-R491 PolarHBondContact NE2-O 3.31Å; Q403-R491 PolarHBondContact O-NH1 2.89Å; D482-R491 CarbonylContact O-C 3.28Å; D482-R491 WeakPolarHBondContact O-CA 3.03Å; C483-R491 VanDerWaalsContact O-CD 3.31Å; C483-R491 WeakPolarHBondContact O-CD 3.33Å; C483-R491 WeakPolarHBondContact O-CG 3.49Å; D485-R491 HydrophobicContact CB-CG 4.07Å; D485-R491 PolarHBondContact O-NE 2.04Å; D485-R491 PolarHBondContact O-NH2 3.47Å; Q486-R491 PolarHBondContact O-NH2 2.74Å
492	L	98.6	Very high	97.6	Very high	19 Å²	19	46.3 Å²	46.3	10%	0.099	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-57.5	144.4	172.6	-59.1	-172.9	0	0	0	111.4	Q403 M406 T479 D482 C496 A497	Q403-L492 PolarHBondContact OE1-O 2.76Å; M406-L492 HydrophobicContact CE-CB 4.36Å; M406-L492 WeakPolarHBondContact CE-O 3.42Å; M406-L492 VanDerWaalsContact CG-O 3.28Å; M406-L492 WeakPolarHBondContact CG-O 3.21Å; T479-L492 HydrophobicContact CG2-CD1 4.05Å; D482-L492 HydrophobicContact CB-CD1 4.07Å; D482-L492 HydrophobicContact CB-CD2 3.7Å; D482-L492 HydrophobicContact CB-CG 3.59Å; D482-L492 PolarHBondContact O-N 3.44Å; L492-C496 HydrophobicContact CB-CB 4.48Å; L492-A497 HydrophobicContact CB-CB 4.35Å; L492-A497 HydrophobicContact CD1-CB 4.15Å
493	T	98.6	Very high	97.3	Very high	73 Å²	73	49.7 Å²	49.7	45%	0.448	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-72.8	155	160.8	76	0	0	0	0	110.3	Q495 C496 A497	T493-Q495 PolarHBondContact O-N 2.97Å; T493-C496 PolarHBondContact O-N 2.72Å; T493-C496 PolarHBondContact OG1-N 3.31Å; T493-C496 PolarHBondContact OG1-SG 3.39Å; T493-A497 PolarHBondContact O-N 2.88Å
494	A	98.6	Very high	97	Very high	2 Å²	2	49.8 Å²	49.8	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-55.6	-34.7	177.1	0	0	0	0	0	113.1	T309 L312 A313 H316 M406 A497 E498	T309-A494 WeakPolarHBondContact CG2-O 3.48Å; L312-A494 HydrophobicContact CB-CB 4.41Å; L312-A494 HydrophobicContact CD2-CB 4.34Å; L312-A494 HydrophobicContact CG-CB 4.18Å; A313-A494 HydrophobicContact CB-CB 3.95Å; H316-A494 HydrophobicContact CB-CB 4.46Å; M406-A494 WeakPolarHBondContact SD-CA 3.49Å; M406-A494 HydrophobicContact SD-CB 3.61Å; M406-A494 PolarHBondContact SD-N 3.08Å; M406-A494 VanDerWaalsContact SD-N 3.38Å; A494-A497 PolarHBondContact O-N 3.24Å; A494-E498 WeakPolarHBondContact O-CB 3.49Å; A494-E498 PolarHBondContact O-N 3.27Å
495	Q	98.1	Very high	96.3	Very high	76 Å²	76	51.3 Å²	51.3	36%	0.355	27%	0.272	S	S	.	.	H	α-helix	trans	-68.3	-43.9	175.9	-176.2	53.9	47.4	0	0	112	T493 A497 E498 E499	T493-Q495 PolarHBondContact O-N 2.97Å; Q495-A497 VanDerWaalsContact C-N 3.27Å; Q495-A497 PolarHBondContact O-N 2.97Å; Q495-E498 PolarHBondContact NE2-OE2 3.42Å; Q495-E498 WeakPolarHBondContact O-CB 3.32Å; Q495-E498 PolarHBondContact O-N 2.91Å; Q495-E499 PolarHBondContact NE2-OE1 2.03Å; Q495-E499 WeakPolarHBondContact O-CG 3.38Å; Q495-E499 PolarHBondContact O-N 3.21Å; Q495-E499 VanDerWaalsContact O-N 3.08Å
496	C	98.4	Very high	95.6	Very high	55 Å²	55	53 Å²	53	37%	0.372	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-35	175.1	-62.1	0	0	0	0	112	L492 T493 R500	L492-C496 HydrophobicContact CB-CB 4.48Å; T493-C496 PolarHBondContact O-N 2.72Å; T493-C496 PolarHBondContact OG1-N 3.31Å; T493-C496 PolarHBondContact OG1-SG 3.39Å; C496-R500 WeakPolarHBondContact O-CG 3.46Å; C496-R500 PolarHBondContact O-N 3.19Å; C496-R500 VanDerWaalsContact O-N 3.14Å
497	A	98.5	Very high	95	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-72.1	-34.5	176.7	0	0	0	0	0	112.4	T309 M406 L409 L492 T493 A494 Q495 M501	T309-A497 HydrophobicContact CG2-CB 3.74Å; M406-A497 HydrophobicContact CE-CB 3.71Å; L409-A497 HydrophobicContact CD2-CB 4.41Å; L492-A497 HydrophobicContact CB-CB 4.35Å; L492-A497 HydrophobicContact CD1-CB 4.15Å; T493-A497 PolarHBondContact O-N 2.88Å; A494-A497 PolarHBondContact O-N 3.24Å; Q495-A497 VanDerWaalsContact C-N 3.27Å; Q495-A497 PolarHBondContact O-N 2.97Å; A497-M501 WeakPolarHBondContact O-CB 3.27Å; A497-M501 PolarHBondContact O-N 2.99Å
498	E	97.9	Very high	94.1	Very high	37 Å²	37	49.5 Å²	49.5	17%	0.173	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-48.3	173.8	-170.7	-92.1	146	0	0	110.7	H306 T309 R310 A494 Q495 M501 A502	H306-E498 IonicContact CD2-OE1 2.68Å; H306-E498 IonicContact CE1-OE1 2.87Å; H306-E498 IonicContact NE2-OE1 3.81Å; H306-E498 PolarHBondContact NE2-OE1 2.82Å; T309-E498 HydrophobicContact CG2-CB 3.96Å; T309-E498 VanDerWaalsContact CG2-N 3.34Å; R310-E498 HydrophobicContact CB-CG 4.08Å; R310-E498 HydrophobicContact CG-CG 4.48Å; A494-E498 WeakPolarHBondContact O-CB 3.49Å; A494-E498 PolarHBondContact O-N 3.27Å; Q495-E498 PolarHBondContact NE2-OE2 3.42Å; Q495-E498 WeakPolarHBondContact O-CB 3.32Å; Q495-E498 PolarHBondContact O-N 2.91Å; E498-M501 PolarHBondContact O-N 3.39Å; E498-A502 PolarHBondContact O-N 2.83Å
499	E	96.9	Very high	92.9	Very high	105 Å²	105	54 Å²	54	49%	0.491	28%	0.277	S	S	.	.	H	α-helix	trans	-58.5	-49.7	176.5	-73	166.7	-157.5	0	0	111.9	Q495 M501 A502 E503	Q495-E499 PolarHBondContact NE2-OE1 2.03Å; Q495-E499 WeakPolarHBondContact O-CG 3.38Å; Q495-E499 PolarHBondContact O-N 3.21Å; Q495-E499 VanDerWaalsContact O-N 3.08Å; E499-M501 PolarHBondContact O-N 3.39Å; E499-A502 PolarHBondContact O-N 2.83Å; E499-E503 PolarHBondContact O-N 2.77Å
500	R	97.3	Very high	91.7	Very high	60 Å²	60	53.9 Å²	53.9	23%	0.226	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-42	176.7	-72.6	-165.6	-171.1	-178	4	112.7	E478 T479 D482 C496 A502 E503 L504	E478-R500 PolarHBondContact O-NH1 3.38Å; T479-R500 HydrophobicContact CG2-CB 4.07Å; T479-R500 WeakPolarHBondContact OG1-CD 3.39Å; T479-R500 PolarHBondContact OG1-NH1 2.92Å; D482-R500 IonicContact OD2-CZ 3.18Å; D482-R500 IonicContact OD2-NH1 3.94Å; D482-R500 PolarHBondContact OD2-NH1 3.44Å; D482-R500 IonicContact OD2-NH2 3.69Å; D482-R500 PolarHBondContact OD2-NH2 2.85Å; C496-R500 WeakPolarHBondContact O-CG 3.46Å; C496-R500 PolarHBondContact O-N 3.19Å; C496-R500 VanDerWaalsContact O-N 3.14Å; R500-A502 VanDerWaalsContact C-N 3.31Å; R500-A502 PolarHBondContact O-N 2.9Å; R500-E503 PolarHBondContact O-N 2.8Å; R500-L504 WeakPolarHBondContact O-CG 3.25Å; R500-L504 PolarHBondContact O-N 2.81Å
501	M	95.4	Very high	90	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-69.9	-29.6	-179.3	-165.6	56.8	62.4	0	0	112.3	A305 H306 Y413 F417 L476 A497 E498 E499 L504	A305-M501 HydrophobicContact CB-CE 3.93Å; A305-M501 HydrophobicContact CB-CG 3.85Å; A305-M501 HydrophobicContact CB-SD 3.68Å; H306-M501 HydrophobicContact CB-CB 4.38Å; H306-M501 HydrophobicContact CB-CG 3.82Å; Y413-M501 HydrophobicContact CD1-CE 4.08Å; Y413-M501 HydrophobicContact CD2-CE 3.92Å; Y413-M501 HydrophobicContact CE1-CE 3.91Å; Y413-M501 HydrophobicContact CE2-CE 3.78Å; Y413-M501 HydrophobicContact CG-CE 4.03Å; F417-M501 HydrophobicContact CE2-CE 4.08Å; F417-M501 HydrophobicContact CE2-SD 4.15Å; F417-M501 HydrophobicContact CZ-CE 4.49Å; F417-M501 HydrophobicContact CZ-SD 4.02Å; L476-M501 HydrophobicContact CD1-CE 4.24Å; A497-M501 WeakPolarHBondContact O-CB 3.27Å; A497-M501 PolarHBondContact O-N 2.99Å; E498-M501 PolarHBondContact O-N 3.39Å; E499-M501 PolarHBondContact O-N 3.39Å; M501-L504 HydrophobicContact CE-CD1 3.93Å; M501-L504 HydrophobicContact SD-CB 4.46Å; M501-L504 HydrophobicContact SD-CD1 3.86Å
502	A	93.4	Very high	88.1	Confident	35 Å²	35	60.2 Å²	60.2	29%	0.289	29%	0.29	S	S	.	.	H	α-helix	trans	-68.5	-40.2	168.7	0	0	0	0	0	112.2	E498 E499 R500 L504 M505	E498-A502 PolarHBondContact O-N 2.83Å; E499-A502 PolarHBondContact O-N 2.83Å; R500-A502 VanDerWaalsContact C-N 3.31Å; R500-A502 PolarHBondContact O-N 2.9Å; A502-L504 PolarHBondContact O-N 3.36Å; A502-M505 PolarHBondContact O-N 3.04Å
503	E	92.6	Very high	85.8	Confident	126 Å²	126	63.7 Å²	63.7	59%	0.589	32%	0.316	S	S	*	.	H	α-helix	trans	-64.7	-36.2	174.8	-70.9	-165.9	153.7	0	0	112.7	E499 R500 M505 M506 I507	E499-E503 PolarHBondContact O-N 2.77Å; R500-E503 PolarHBondContact O-N 2.8Å; E503-M505 VanDerWaalsContact C-N 3.26Å; E503-M505 PolarHBondContact O-N 2.92Å; E503-M506 PolarHBondContact O-N 3.27Å; E503-I507 HydrophobicContact CB-CD1 4.42Å; E503-I507 WeakPolarHBondContact O-CG1 3.45Å; E503-I507 PolarHBondContact O-N 3.28Å
504	L	91.6	Very high	83.3	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-60.7	-29.5	178.2	-76.6	173.6	0	0	0	114	W298 A472 L476 R500 M501 A502	W298-L504 HydrophobicContact CZ2-CB 4.24Å; W298-L504 HydrophobicContact CZ2-CD2 4.25Å; W298-L504 PolarHBondContact NE1-O 3.19Å; W298-L504 VanDerWaalsContact NE1-O 3.15Å; A472-L504 HydrophobicContact CB-CD2 4.35Å; A472-L504 VanDerWaalsContact O-CD2 3.25Å; A472-L504 WeakPolarHBondContact O-CD2 3.46Å; L476-L504 HydrophobicContact CB-CD1 4.14Å; L476-L504 HydrophobicContact CB-CD2 4.36Å; L476-L504 HydrophobicContact CD1-CD1 4.12Å; R500-L504 WeakPolarHBondContact O-CG 3.25Å; R500-L504 PolarHBondContact O-N 2.81Å; M501-L504 HydrophobicContact CE-CD1 3.93Å; M501-L504 HydrophobicContact SD-CB 4.46Å; M501-L504 HydrophobicContact SD-CD1 3.86Å; A502-L504 PolarHBondContact O-N 3.36Å
505	M	84.4	Confident	80.3	Confident	46 Å²	46	69.6 Å²	69.6	23%	0.227	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-48.8	169.3	-63.2	-179.5	-177.4	0	0	110.9	C302 H306 A502 E503 I507 W508	C302-M505 VanDerWaalsContact C-CE 3.47Å; C302-M505 HydrophobicContact CB-CE 3.87Å; C302-M505 HydrophobicContact CB-CG 3.61Å; C302-M505 VanDerWaalsContact O-CE 3.3Å; C302-M505 WeakPolarHBondContact O-CE 3.22Å; H306-M505 HydrophobicContact CB-CE 3.61Å; A502-M505 PolarHBondContact O-N 3.04Å; E503-M505 VanDerWaalsContact C-N 3.26Å; E503-M505 PolarHBondContact O-N 2.92Å; M505-I507 PolarHBondContact O-N 3.01Å; M505-W508 PolarHBondContact O-N 2.83Å
506	M	84.5	Confident	77.7	Confident	97 Å²	97	72.1 Å²	72.1	48%	0.478	38%	0.378	S	S	.	.	H	α-helix	trans	-73.5	-26.9	-173.3	-57.7	-56.7	-49.6	0	0	114	E503	E503-M506 PolarHBondContact O-N 3.27Å
507	I	84.8	Confident	75	Confident	26 Å²	26	75.5 Å²	75.5	13%	0.133	40%	0.397	C	S	.	.	H	α-helix	trans	-74.8	-37.5	177.9	-63	163.3	0	0	0	110.6	L471 A472 E503 M505 R510 N511	L471-I507 HydrophobicContact CB-CG2 4.13Å; L471-I507 HydrophobicContact CD2-CG2 4.11Å; L471-I507 HydrophobicContact CG-CG2 4.12Å; A472-I507 HydrophobicContact CB-CB 4.25Å; A472-I507 HydrophobicContact CB-CG2 3.85Å; E503-I507 HydrophobicContact CB-CD1 4.42Å; E503-I507 WeakPolarHBondContact O-CG1 3.45Å; E503-I507 PolarHBondContact O-N 3.28Å; M505-I507 PolarHBondContact O-N 3.01Å; I507-R510 PolarHBondContact O-N 2.95Å; I507-N511 PolarHBondContact O-N 2.76Å
508	W	78.6	Confident	72.2	Confident	32 Å²	32	81.8 Å²	81.8	12%	0.121	44%	0.435	C	S	.	.	H	α-helix	trans	-66	-43.8	-176.1	-172.3	-99.5	0	0	0	113.2	W298 D422 A472 V473 M505 R510 N511 K512	W298-W508 HydrophobicContact CB-CD2 4.03Å; W298-W508 HydrophobicContact CB-CG 4.17Å; W298-W508 HydrophobicContact CB-CZ2 4.33Å; W298-W508 VanDerWaalsContact CD1-CB 3.41Å; W298-W508 AromaticContact CD1-CD1 3.48Å; W298-W508 VanDerWaalsContact CD1-CD1 3.48Å; W298-W508 AromaticContact CD1-CD2 3.73Å; W298-W508 AromaticContact CD1-CG 3.24Å; W298-W508 HydrophobicContact CD2-CB 4.39Å; W298-W508 AromaticContact CD2-CD2 3.57Å; W298-W508 HydrophobicContact CD2-CD2 3.57Å; W298-W508 AromaticContact CD2-CE3 3.48Å; W298-W508 HydrophobicContact CD2-CE3 3.48Å; W298-W508 VanDerWaalsContact CD2-CE3 3.48Å; W298-W508 AromaticContact CD2-CG 3.95Å; W298-W508 HydrophobicContact CD2-CG 3.95Å; W298-W508 HydrophobicContact CD2-CZ3 4.02Å; W298-W508 AromaticContact CE2-CD2 3.88Å; W298-W508 AromaticContact CE2-CE3 3.68Å; W298-W508 AromaticContact CE2-CG 3.96Å; W298-W508 HydrophobicContact CE3-CD2 4.13Å; W298-W508 AromaticContact CE3-CE3 3.65Å; W298-W508 HydrophobicContact CE3-CE3 3.65Å; W298-W508 HydrophobicContact CE3-CH2 4.25Å; W298-W508 AromaticContact CE3-CZ3 3.71Å; W298-W508 HydrophobicContact CE3-CZ3 3.71Å; W298-W508 HydrophobicContact CG-CB 4.13Å; W298-W508 AromaticContact CG-CD1 3.67Å; W298-W508 AromaticContact CG-CD2 3.49Å; W298-W508 HydrophobicContact CG-CD2 3.49Å; W298-W508 VanDerWaalsContact CG-CD2 3.49Å; W298-W508 AromaticContact CG-CE2 3.78Å; W298-W508 AromaticContact CG-CE3 3.95Å; W298-W508 HydrophobicContact CG-CE3 3.95Å; W298-W508 AromaticContact CG-CG 3.51Å; W298-W508 HydrophobicContact CG-CG 3.51Å; W298-W508 AromaticContact CG-NE1 3.77Å; W298-W508 HydrophobicContact CH2-CE3 4.2Å; W298-W508 HydrophobicContact CH2-CZ3 4.49Å; W298-W508 HydrophobicContact CZ2-CE3 4.05Å; W298-W508 HydrophobicContact CZ3-CE3 4.01Å; W298-W508 AromaticContact CZ3-CZ3 3.96Å; W298-W508 HydrophobicContact CZ3-CZ3 3.96Å; W298-W508 AromaticContact NE1-CD2 3.94Å; W298-W508 AromaticContact NE1-CG 3.52Å; D422-W508 HydrophobicContact CB-CH2 4.01Å; D422-W508 HydrophobicContact CB-CZ2 3.54Å; D422-W508 WeakPolarHBondContact OD1-CZ2 3.07Å; A472-W508 HydrophobicContact CB-CE3 3.82Å; V473-W508 HydrophobicContact CG2-CZ3 3.95Å; M505-W508 PolarHBondContact O-N 2.83Å; W508-R510 VanDerWaalsContact C-N 3.26Å; W508-R510 PolarHBondContact O-N 2.83Å; W508-N511 PolarHBondContact O-N 2.98Å; W508-N511 VanDerWaalsContact O-N 3.15Å; W508-K512 PolarHBondContact O-N 3.05Å
509	E	70.9	Confident	69.1	Low	118 Å²	118	87.3 Å²	87.3	55%	0.551	47%	0.466	S	S	*	.	H	α-helix	trans	-56.5	-41	176.6	-65	-173.4	153.3	0	0	112.1	K512 S513	E509-K512 PolarHBondContact O-N 2.87Å; E509-S513 WeakPolarHBondContact O-CB 3.43Å; E509-S513 PolarHBondContact O-N 2.74Å; E509-S513 PolarHBondContact O-OG 2.03Å
510	R	69.3	Low	66.2	Low	163 Å²	163	88.8 Å²	88.8	62%	0.615	49%	0.485	S	S	*	.	H	α-helix	trans	-63.4	-47.9	176.7	-66	177.7	-176.8	157.4	5.7	111.1	I507 W508 K512 S513 V514	I507-R510 PolarHBondContact O-N 2.95Å; W508-R510 VanDerWaalsContact C-N 3.26Å; W508-R510 PolarHBondContact O-N 2.83Å; R510-K512 VanDerWaalsContact C-N 3.32Å; R510-K512 PolarHBondContact O-N 2.96Å; R510-S513 PolarHBondContact O-N 3.47Å; R510-S513 VanDerWaalsContact O-N 3.15Å; R510-S513 PolarHBondContact O-OG 2.89Å; R510-V514 PolarHBondContact O-N 2.02Å
511	N	63.9	Low	63	Low	62 Å²	62	94 Å²	94	33%	0.332	51%	0.513	S	S	.	.	H	α-helix	trans	-64.4	-36.6	179.9	-67.6	-3.5	0	0	0	111.9	S470 L471 I507 W508 S513 V514	S470-N511 PolarHBondContact OG-ND2 2.69Å; L471-N511 PolarHBondContact N-ND2 2.92Å; I507-N511 PolarHBondContact O-N 2.76Å; W508-N511 PolarHBondContact O-N 2.98Å; W508-N511 VanDerWaalsContact O-N 3.15Å; N511-S513 VanDerWaalsContact C-N 3.3Å; N511-S513 PolarHBondContact O-N 3.02Å; N511-V514 PolarHBondContact O-N 2.03Å
512	K	58.5	Low	60.2	Low	131 Å²	131	100.3 Å²	100.3	57%	0.57	55%	0.552	S	S	*	*	H	α-helix	trans	-71.5	-23.3	176.7	-149.7	155.3	-175.8	168.2	0	112.7	D422 W508 E509 R510	D422-K512 IonicContact OD1-NZ 3.77Å; D422-K512 PolarHBondContact OD1-NZ 3.22Å; D422-K512 IonicContact OD2-NZ 3.24Å; W508-K512 PolarHBondContact O-N 3.05Å; E509-K512 PolarHBondContact O-N 2.87Å; R510-K512 VanDerWaalsContact C-N 3.32Å; R510-K512 PolarHBondContact O-N 2.96Å
513	S	49.2	Very low	57.4	Low	91 Å²	91	105.7 Å²	105.7	64%	0.636	58%	0.582	S	S	*	*	H	α-helix	trans	-82.5	-19.4	175.5	73.8	0	0	0	0	115.2	E509 R510 N511 S515	E509-S513 WeakPolarHBondContact O-CB 3.43Å; E509-S513 PolarHBondContact O-N 2.74Å; E509-S513 PolarHBondContact O-OG 2.03Å; R510-S513 PolarHBondContact O-N 3.47Å; R510-S513 VanDerWaalsContact O-N 3.15Å; R510-S513 PolarHBondContact O-OG 2.89Å; N511-S513 VanDerWaalsContact C-N 3.3Å; N511-S513 PolarHBondContact O-N 3.02Å; S513-S515 PolarHBondContact O-N 2.91Å
514	V	46.4	Very low	54.5	Low	112 Å²	112	104.3 Å²	104.3	68%	0.679	59%	0.592	S	S	*	*			trans	-96.5	83.7	179.4	-177.1	0	0	0	0	109.9	R510 N511	R510-V514 PolarHBondContact O-N 2.02Å; N511-V514 PolarHBondContact O-N 2.03Å
515	S	36.1	Very low	51.6	Low	87 Å²	87	112.2 Å²	112.2	61%	0.608	63%	0.631	S	S	*	*			trans	-65.4	140.4	170.3	-71.1	0	0	0	0	111.2	S513 T517	S513-S515 PolarHBondContact O-N 2.91Å; S515-T517 VanDerWaalsContact C-N 3.32Å; S515-T517 PolarHBondContact O-N 3.01Å
516	P	42.5	Very low	49	Very low	130 Å²	130	119 Å²	119	84%	0.844	66%	0.662	S	S	*	*	S	Bend	trans	-77.1	77.6	-174.3	31.9	-36.1	0	0	0	111.6
517	T	41.8	Very low	46.5	Very low	126 Å²	126	120.4 Å²	120.4	77%	0.773	67%	0.671	S	S	*	*			trans	-143.9	7.3	176.2	-29.3	0	0	0	0	113.6	S515	S515-T517 VanDerWaalsContact C-N 3.32Å; S515-T517 PolarHBondContact O-N 3.01Å
518	V	39.5	Very low	43.9	Very low	131 Å²	131	127.3 Å²	127.3	79%	0.794	70%	0.703	S	S	*	*	S	Bend	trans	-131.4	116	170.8	-174.7	0	0	0	0	108.8	P520	V518-P520 WeakPolarHBondContact O-CD 3.5Å
519	N	33	Very low	41.7	Very low	154 Å²	154	135.9 Å²	135.9	82%	0.824	74%	0.735	S	S	*	*			trans	-70.9	121.6	-178.8	-67.3	-28.3	0	0	0	111.1	M521	N519-M521 PolarHBondContact O-N 2.84Å
520	P	37.2	Very low	39.7	Very low	135 Å²	135	137.2 Å²	137.2	88%	0.877	75%	0.746	S	S	*	*			trans	-84.6	92.1	172.7	33.2	-31.2	0	0	0	109.9	V518	V518-P520 WeakPolarHBondContact O-CD 3.5Å
521	M	30.3	Very low	37.8	Very low	169 Å²	169	138.1 Å²	138.1	83%	0.833	76%	0.762	S	S	*	*			trans	-119.4	139.1	167.2	-135.5	178.9	-161.9	0	0	110.6	N519	N519-M521 PolarHBondContact O-N 2.84Å
522	T	35.7	Very low	36.2	Very low	133 Å²	133	140 Å²	140	82%	0.816	78%	0.78	S	S	*	*			trans	57.5	96.5	178.3	55.1	0	0	0	0	117.3
523	T	34.7	Very low	34.9	Very low	149 Å²	149	142.1 Å²	142.1	91%	0.914	79%	0.792	S	S	*	*				-152.1	134.2	113.1	-4.9	0	0	0	0	110.5
524	A	32.2	Very low	34	Very low	96 Å²	96	145.7 Å²	145.7	79%	0.793	80%	0.804	S	S	*	*			trans	-88.5	167	176.3	0	0	0	0	0	111.1
525	M	29.4	Very low	33.4	Very low	169 Å²	169	151.7 Å²	151.7	83%	0.833	82%	0.815	S	S	*	*			trans	-52.7	135.7	-171.4	-51.9	-176.4	78.3	0	0	114.5
526	Q	30.9	Very low	33.1	Very low	189 Å²	189	158.5 Å²	158.5	88%	0.883	83%	0.827	S	S	*	*			trans	-114.2	128.8	150.7	-76.4	-172.3	-32.3	0	0	109.4
527	N	31	Very low	32.5	Very low	125 Å²	125	158.2 Å²	158.2	67%	0.668	82%	0.822	S	S	*	*			trans	-90.6	103.8	171.3	-90.8	-68.5	0	0	0	108.9
528	E	30.6	Very low	32	Very low	171 Å²	171	157.7 Å²	157.7	80%	0.799	82%	0.821	S	S	*	*			trans	-111.3	102.6	164.9	-92.5	-60.6	154.2	0	0	109.9
529	R	31.7	Very low	31.4	Very low	212 Å²	212	161.3 Å²	161.3	80%	0.8	83%	0.826	S	S	*	*			trans	-107.6	88.3	169.7	-89.1	-163.9	176.1	102	-2.6	109
530	N	29	Very low	31.3	Very low	146 Å²	146	161.7 Å²	161.7	78%	0.781	83%	0.826	S	S	*	*				162.7	114.4	127	-83	-39.1	0	0	0	111.2
531	L	29.3	Very low	30.9	Very low	182 Å²	182	158.1 Å²	158.1	95%	0.953	82%	0.815	S	S	*	*			trans	-152.9	142	130	-136.1	72.7	0	0	0	109.4
532	S	30.3	Very low	31.6	Very low	102 Å²	102	155.8 Å²	155.8	71%	0.713	81%	0.812	S	S	*	*			trans	-109.7	151.5	-174.6	51.6	0	0	0	0	112.4
533	H	33.1	Very low	31.3	Very low	176 Å²	176	159.6 Å²	159.6	82%	0.815	81%	0.813	S	S	*	*			trans	60.8	96.5	162	-69	11	0	0	0	117.6
534	N	29.2	Very low	31.4	Very low	166 Å²	166	158.2 Å²	158.2	89%	0.888	81%	0.806	S	S	*	*			trans	-161.6	92.8	134.4	-108.2	-58	0	0	0	110.7
535	R	33.3	Very low	31.1	Very low	238 Å²	238	160.8 Å²	160.8	90%	0.898	81%	0.807	S	S	*	*			trans	-110.8	101.8	169.3	-179.1	-177	-87.7	-167.9	-4.2	108.7
536	R	30.5	Very low	31.2	Very low	230 Å²	230	163.4 Å²	163.4	87%	0.868	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.5	141	163.9	-72.6	-176	179.4	171.7	0.5	109.1
537	V	29.1	Very low	31	Very low	123 Å²	123	160.1 Å²	160.1	75%	0.745	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-98.5	123.9	173.8	176.6	0	0	0	0	108.6
538	P	31.3	Very low	30.9	Very low	115 Å²	115	159.9 Å²	159.9	75%	0.747	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-68.3	127.1	165.3	-15.1	30.2	0	0	0	109.7
539	K	28.3	Very low	30.8	Very low	207 Å²	207	157 Å²	157	90%	0.9	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-80.8	130.7	163.7	-76.8	-174.5	174.2	-175.4	0	108.8
540	I	30	Very low	30.7	Very low	162 Å²	162	151.8 Å²	151.8	83%	0.831	81%	0.81	S	S	*	*			trans	-122.2	132.8	160.5	-77.8	176.8	0	0	0	107.7
541	G	29.9	Very low	30.6	Very low	61 Å²	61	155.5 Å²	155.5	63%	0.629	81%	0.814	S	S	*	*			trans	-96.4	-179.9	173.1	0	0	0	0	0	111.8
542	P	44.1	Very low	30.6	Very low	119 Å²	119	153.2 Å²	153.2	77%	0.773	80%	0.802	S	S	*	*	S	Bend	trans	-84.2	155.4	-168.6	34.4	-36.6	0	0	0	114.3
543	Y	30.1	Very low	30.6	Very low	213 Å²	213	157.1 Å²	157.1	84%	0.835	81%	0.809	S	S	*	*			trans	55.8	126.1	164.5	-84.7	-85.6	0	0	0	119.7
544	P	35.8	Very low	30.3	Very low	120 Å²	120	155.5 Å²	155.5	78%	0.779	81%	0.806	S	S	*	*			trans	-96.4	107.2	157	34	-24.6	0	0	0	110.7
545	D	26.5	Very low	30.2	Very low	150 Å²	150	152.7 Å²	152.7	80%	0.802	80%	0.799	S	S	*	*			trans	-75.8	151.1	162.1	-85	-47.1	0	0	0	110.9
546	Y	30.6	Very low	30	Very low	224 Å²	224	147.6 Å²	147.6	88%	0.878	79%	0.788	S	S	*	*			trans	-63.2	143.6	176	-93	-111.4	0	0	0	111.7
547	S	28.3	Very low	30	Very low	121 Å²	121	143.6 Å²	143.6	85%	0.846	78%	0.779	S	S	*	*			trans	-131.4	124.7	162.5	-79.6	0	0	0	0	110
548	S	28.2	Very low	30	Very low	120 Å²	120	145.2 Å²	145.2	84%	0.839	78%	0.779	S	S	*	*			trans	-130	127.3	167.3	-68.5	0	0	0	0	106.9
549	S	28.8	Very low	30	Very low	109 Å²	109	144.7 Å²	144.7	76%	0.762	77%	0.773	S	S	*	*			trans	-101.1	140.7	-169.6	58.3	0	0	0	0	113.1
550	S	29.6	Very low	29.9	Very low	103 Å²	103	141.7 Å²	141.7	72%	0.72	77%	0.767	S	S	*	*			trans	52.7	105.6	145.4	63	0	0	0	0	119.1
551	Y	26.2	Very low	29.9	Very low	224 Å²	224	138.5 Å²	138.5	88%	0.878	76%	0.759	S	S	*	*				-136.2	165	128.8	-147.2	-99	0	0	0	109.8
552	I	30.3	Very low	30	Very low	134 Å²	134	142.7 Å²	142.7	69%	0.687	77%	0.766	S	S	*	*			trans	-121.1	133.8	-172	-65.1	169.4	0	0	0	108.9
553	E	28.8	Very low	29.4	Very low	185 Å²	185	143.5 Å²	143.5	86%	0.864	77%	0.768	S	S	*	*			trans	-166	153.9	135.5	-110.5	172.3	158.3	0	0	113.3
554	D	26.9	Very low	29.6	Very low	142 Å²	142	141.2 Å²	141.2	76%	0.759	76%	0.762	S	S	*	*			trans	-73.6	177.1	-158	-68.6	-49.5	0	0	0	118.9
555	S	27.6	Very low	29.2	Very low	106 Å²	106	142.4 Å²	142.4	74%	0.741	76%	0.762	S	S	*	*			trans	88.5	141.4	148.5	-64.1	0	0	0	0	119
556	I	29.6	Very low	29.6	Very low	131 Å²	131	141.6 Å²	141.6	67%	0.672	76%	0.757	S	S	*	*			cis	-163.7	165.8	-3.9	-118.3	168.9	0	0	0	111.7
557	H	29.9	Very low	29.4	Very low	146 Å²	146	136 Å²	136	68%	0.676	75%	0.75	S	S	*	*			trans	77.3	119.6	163.4	-72.7	-39	0	0	0	123.7
558	H	30	Very low	29.6	Very low	158 Å²	158	134.8 Å²	134.8	73%	0.731	74%	0.741	S	S	*	*				55.5	149.4	124.9	-63.5	-38.2	0	0	0	122.9
559	T	29.8	Very low	29.6	Very low	103 Å²	103	137.1 Å²	137.1	63%	0.632	74%	0.739	S	S	*	*			cis	-162.5	153.6	0.2	8.7	0	0	0	0	111.1
560	D	27.3	Very low	29.7	Very low	145 Å²	145	139.4 Å²	139.4	78%	0.775	74%	0.738	S	S	*	*			trans	52.6	161.7	144.1	-58.1	-19.1	0	0	0	122.8
561	S	29	Very low	29.7	Very low	95 Å²	95	138.1 Å²	138.1	66%	0.664	73%	0.728	S	S	*	*			cis	-164.4	144.6	-36	64.4	0	0	0	0	112.3
562	I	33.3	Very low	29.9	Very low	149 Å²	149	135.6 Å²	135.6	76%	0.764	73%	0.727	S	S	*	*			trans	41.6	118.1	144	-52.3	168.9	0	0	0	121.5
563	V	30.2	Very low	29.8	Very low	135 Å²	135	134 Å²	134	82%	0.818	73%	0.728	S	S	*	*				175.5	136.5	128.9	144.5	0	0	0	0	107.6
564	K	34.1	Very low	29.8	Very low	165 Å²	165	129.9 Å²	129.9	72%	0.717	72%	0.719	S	S	*	*			cis	91.6	96.2	8.3	-73	-163.9	167.5	-172.5	0	120.6
565	N	28.6	Very low	30	Very low	145 Å²	145	129.5 Å²	129.5	78%	0.775	72%	0.722	S	S	*	*				-172.3	130.8	121.6	-85.2	-19.6	0	0	0	108.8
566	I	34.5	Very low	30.8	Very low	134 Å²	134	129.3 Å²	129.3	69%	0.687	72%	0.719	S	S	*	*				75	127.1	55.9	-62.2	170.5	0	0	0	109.7
567	S	27.2	Very low	30.8	Very low	105 Å²	105	130.6 Å²	130.6	73%	0.734	73%	0.726	S	S	*	*			cis	-158.4	174.9	32.9	5.7	0	0	0	0	110.4
568	S	31	Very low	30.8	Very low	96 Å²	96	129 Å²	129	67%	0.671	73%	0.726	S	S	*	*			cis	-179.1	124.3	-26.7	52.4	0	0	0	0	109.6
569	E	29.7	Very low	30.7	Very low	170 Å²	170	129.4 Å²	129.4	79%	0.794	73%	0.732	S	S	*	*			trans	63.5	178.7	155.1	-78.2	-177.8	61.2	0	0	118.2
570	H	30.5	Very low	30.6	Very low	157 Å²	157	128 Å²	128	73%	0.727	74%	0.739	S	S	*	*			cis	-140.6	-144.1	14.1	-161.3	67.7	0	0	0	114.1
571	S	30	Very low	30.7	Very low	75 Å²	75	130.3 Å²	130.3	52%	0.524	74%	0.744	S	S	.	*			trans	-151.3	159.9	-131.8	-54.5	0	0	0	0	117.8
572	M	29.2	Very low	30.7	Very low	171 Å²	171	135.8 Å²	135.8	84%	0.842	76%	0.756	S	S	*	*			trans	82.5	98.1	152.8	-51.6	-131.9	75.6	0	0	123.1
573	S	28.1	Very low	30.5	Very low	102 Å²	102	136.4 Å²	136.4	71%	0.713	76%	0.761	S	S	*	*				42.7	118.6	113.7	-178.2	0	0	0	0	124.2
574	S	29.7	Very low	30.7	Very low	97 Å²	97	140.6 Å²	140.6	68%	0.678	76%	0.763	S	S	*	*				142.6	114	112.6	72.9	0	0	0	0	118.9
575	T	29.9	Very low	30.5	Very low	134 Å²	134	139.4 Å²	139.4	82%	0.822	76%	0.764	S	S	*	*			trans	43.2	165.2	135.7	57.9	0	0	0	0	123.2
576	P	45.9	Very low	30.4	Very low	103 Å²	103	136.7 Å²	136.7	67%	0.669	76%	0.756	S	S	*	*			cis	-140.6	170.9	9.9	44.5	-26.6	0	0	0	119
577	L	28.1	Very low	30.2	Very low	157 Å²	157	137.5 Å²	137.5	82%	0.822	76%	0.761	S	S	*	*			trans	65.4	150.3	156.6	-64.5	157.5	0	0	0	118.4
578	T	29.8	Very low	30.2	Very low	112 Å²	112	138.5 Å²	138.5	69%	0.687	76%	0.757	S	S	*	*			cis	-154.9	157	12	-12.7	0	0	0	0	112.7
579	I	29.7	Very low	30.1	Very low	168 Å²	168	145 Å²	145	86%	0.862	77%	0.769	S	S	*	*			trans	66.3	120	156.2	-61.9	157.6	0	0	0	118.1
580	G	27.3	Very low	30.1	Very low	74 Å²	74	144.7 Å²	144.7	76%	0.763	77%	0.768	S	S	*	*			trans	159.8	-1.4	165.4	0	0	0	0	0	118.8	K582	G580-K582 PolarHBondContact O-N 3.05Å
581	E	28.6	Very low	30	Very low	192 Å²	192	147.6 Å²	147.6	90%	0.897	77%	0.772	S	S	*	*			trans	-75.4	121.5	-168.6	-63.9	-175	114.5	0	0	115.4
582	K	29.6	Very low	29.9	Very low	210 Å²	210	153.4 Å²	153.4	91%	0.913	79%	0.791	S	S	*	*			trans	-176.3	104.3	139.1	-107	168.6	-176.3	175.9	0	113.1	G580	G580-K582 PolarHBondContact O-N 3.05Å
583	N	28.1	Very low	29.9	Very low	163 Å²	163	154.3 Å²	154.3	87%	0.872	79%	0.793	S	S	*	*				-159	132	124	-151.8	-4.7	0	0	0	110.8
584	R	34.6	Very low	29.8	Very low	223 Å²	223	152.2 Å²	152.2	84%	0.842	78%	0.782	S	S	*	*			trans	-162.4	153.3	178.4	-160.7	173.5	-175.1	172.8	2	108.3
585	N	29.6	Very low	29.7	Very low	140 Å²	140	155.2 Å²	155.2	75%	0.749	79%	0.785	S	S	*	*			trans	108.1	130.8	-168.2	-62.3	-6	0	0	0	110.3
586	S	28	Very low	29.4	Very low	88 Å²	88	153.4 Å²	153.4	62%	0.615	78%	0.784	S	S	*	*			cis	61.9	113.3	1.9	80.8	0	0	0	0	118.8
587	I	30.1	Very low	28.5	Very low	151 Å²	151	158.6 Å²	158.6	77%	0.774	79%	0.79	S	S	*	*			trans	86.6	145.8	149.7	-65.9	163.2	0	0	0	117.8
588	N	27.3	Very low	28.5	Very low	125 Å²	125	157.2 Å²	157.2	67%	0.668	78%	0.782	S	S	*	*			trans	68.1	125.4	-177.3	-64	-6	0	0	0	115.3
589	Y	28.8	Very low	28.3	Very low	233 Å²	233	158.1 Å²	158.1	91%	0.914	79%	0.79	S	S	*	*			cis	58.3	33.4	9.5	-136	-78.9	0	0	0	116.2
590	E	30	Very low	28	Very low	164 Å²	164	154.6 Å²	154.6	77%	0.766	78%	0.781	S	S	*	*			trans	-164.1	102.5	152	-126.2	-179.1	-179.6	0	0	112.2
591	R	28.2	Very low	28.5	Very low	218 Å²	218	153.5 Å²	153.5	82%	0.823	76%	0.76	S	S	*	*			trans	-158.1	51.5	154.2	-129.5	-179.1	-165.5	-153.2	4	116.5
592	Q	28.4	Very low	28.3	Very low	197 Å²	197	147.6 Å²	147.6	92%	0.921	73%	0.732	S	S	*	*	S	Bend	trans	-118.7	50.4	149	-79.1	-155.8	2.1	0	0	112.2
593	Q	27.6	Very low	28.2	Very low	189 Å²	189	142.1 Å²	142.1	88%	0.883	72%	0.717	S	S	*	*			trans	-156.4	96.3	149.6	-118.3	170.8	92.4	0	0	110.8
594	A	26	Very low	28.1	Very low	59 Å²	59	138.5 Å²	138.5	49%	0.488	70%	0.704	S	S	.	*			trans	-159.5	61.4	175	0	0	0	0	0	112.7
595	Q	28.6	Very low	27.7	Very low	159 Å²	159	134.2 Å²	134.2	74%	0.743	70%	0.702	S	S	*	*			trans	173.7	102.5	134.8	-96.2	163.9	47.2	0	0	111.6
596	A	23.1	Very low	27.5	Very low	96 Å²	96	133.5 Å²	133.5	79%	0.793	70%	0.703	S	S	*	*			trans	-73.6	120.4	147.1	0	0	0	0	0	107.7
597	R	26.3	Very low	27.4	Very low	213 Å²	213	133.4 Å²	133.4	80%	0.804	70%	0.703	S	S	*	*			trans	-122.1	116.5	159.2	-107.6	-171.2	177.4	118.3	-7.4	107.2
598	I	29	Very low	27.2	Very low	128 Å²	128	133.8 Å²	133.8	66%	0.656	71%	0.705	S	S	*	*			trans	-109.9	136.9	171.6	-51.9	171.2	0	0	0	104.5	S600	I598-S600 VanDerWaalsContact CG2-OG 3.27Å; I598-S600 WeakPolarHBondContact CG2-OG 3.46Å
599	P	24.9	Very low	27.1	Very low	130 Å²	130	131.7 Å²	131.7	84%	0.844	70%	0.7	S	S	*	*				-109.4	153	97.4	-15	32.6	0	0	0	113.8
600	S	25.1	Very low	27	Very low	95 Å²	95	126.2 Å²	126.2	66%	0.664	69%	0.691	S	S	*	*			trans	-85.3	-147.9	172.8	-41.2	0	0	0	0	109.1	I598	I598-S600 VanDerWaalsContact CG2-OG 3.27Å; I598-S600 WeakPolarHBondContact CG2-OG 3.46Å
601	P	36.8	Very low	26.9	Very low	51 Å²	51	124.5 Å²	124.5	33%	0.331	69%	0.688	S	S	.	*			cis	-150.4	-165.9	26.3	27.6	3.4	0	0	0	117.6	S703 S704	P601-S703 WeakPolarHBondContact CD-OG 3.22Å; P601-S704 VanDerWaalsContact CB-O 3.22Å; P601-S704 WeakPolarHBondContact CB-O 3.2Å
602	E	24.9	Very low	26.7	Very low	68 Å²	68	118.7 Å²	118.7	32%	0.318	68%	0.676	S	S	.	*			trans	58.9	144.6	-180	-108.8	165.6	-119.8	0	0	116.9	T702 S703 S704	E602-T702 WeakPolarHBondContact OE2-CA 3.3Å; E602-T702 VanDerWaalsContact OE2-CB 3.25Å; E602-T702 WeakPolarHBondContact OE2-CB 3.5Å; E602-T702 PolarHBondContact OE2-N 3.25Å; E602-T702 VanDerWaalsContact OE2-N 3.11Å; E602-T702 PolarHBondContact OE2-OG1 3.28Å; E602-S703 VanDerWaalsContact CB-N 3.33Å; E602-S703 PolarHBondContact OE1-N 3.29Å; E602-S703 PolarHBondContact OE2-N 2.97Å; E602-S704 VanDerWaalsContact CD-N 3.31Å; E602-S704 PolarHBondContact N-O 3.41Å; E602-S704 WeakPolarHBondContact OE1-CB 3.3Å; E602-S704 PolarHBondContact OE1-N 2.83Å; E602-S704 PolarHBondContact OE1-OG 3.01Å
603	T	26.4	Very low	26.5	Very low	95 Å²	95	114.9 Å²	114.9	58%	0.583	67%	0.667	S	S	*	*			cis	74	147	16	82.1	0	0	0	0	114.5
604	S	27.2	Very low	26.3	Very low	86 Å²	86	111.3 Å²	111.3	60%	0.601	66%	0.658	S	S	*	*			cis	-176.2	158.7	-18	44.7	0	0	0	0	109.3
605	V	25.8	Very low	26.3	Very low	133 Å²	133	113.7 Å²	113.7	81%	0.806	67%	0.666	S	S	*	*			trans	57.4	137.8	169.9	-59.3	0	0	0	0	114.3
606	T	25.1	Very low	26.2	Very low	126 Å²	126	113.3 Å²	113.3	77%	0.773	67%	0.669	S	S	*	*			cis	-160.9	169.5	49	33.5	0	0	0	0	108.5
607	S	26.7	Very low	26.3	Very low	86 Å²	86	113.6 Å²	113.6	60%	0.601	66%	0.662	S	S	*	*			cis	-179	167.8	-18.7	56.4	0	0	0	0	107.8
608	L	24.9	Very low	26.4	Very low	159 Å²	159	110.4 Å²	110.4	83%	0.832	67%	0.666	S	S	*	*			trans	67	149.7	167.3	-86.5	75.4	0	0	0	114.5
609	S	25.9	Very low	26.2	Very low	80 Å²	80	107.5 Å²	107.5	56%	0.559	67%	0.667	S	S	*	*			cis	-165.2	138.4	-8	43.3	0	0	0	0	112
610	T	26.3	Very low	26.3	Very low	118 Å²	118	109.7 Å²	109.7	72%	0.724	67%	0.671	S	S	*	*			trans	66.4	146.6	135.6	62.7	0	0	0	0	119.1
611	N	27	Very low	26.8	Very low	129 Å²	129	111.1 Å²	111.1	69%	0.69	68%	0.676	S	S	*	*			cis	-156.3	161.6	3.4	-129.6	1	0	0	0	114.9
612	T	24.8	Very low	27	Very low	96 Å²	96	112.9 Å²	112.9	59%	0.589	69%	0.688	S	S	*	*			trans	29.2	129.5	145.3	54.7	0	0	0	0	120.5
613	T	24.2	Very low	27.4	Very low	117 Å²	117	114.4 Å²	114.4	72%	0.718	71%	0.706	S	S	*	*				53.3	139.9	92.3	10.9	0	0	0	0	114.2
614	T	24.3	Very low	27.8	Very low	114 Å²	114	116.4 Å²	116.4	70%	0.699	72%	0.718	S	S	*	*			cis	-163.1	159.1	42.4	-21.6	0	0	0	0	112.9
615	T	24.8	Very low	27.9	Very low	108 Å²	108	115.6 Å²	115.6	66%	0.663	72%	0.723	S	S	*	*			trans	-2.2	134.3	152.8	54.2	0	0	0	0	119.9
616	N	27.1	Very low	28.1	Very low	151 Å²	151	117.5 Å²	117.5	81%	0.807	73%	0.725	S	S	*	*				173.9	157.6	111.5	-86.4	-31.4	0	0	0	109.6
617	T	25.5	Very low	28.3	Very low	103 Å²	103	118.4 Å²	118.4	63%	0.632	73%	0.73	S	S	*	*			cis	165.1	147.6	-18.9	-76.4	0	0	0	0	103.8
618	T	27.2	Very low	28.6	Very low	146 Å²	146	119.9 Å²	119.9	90%	0.896	74%	0.736	S	S	*	*			trans	62.5	154.1	175.9	52.4	0	0	0	0	118.4
619	G	24.9	Very low	28.7	Very low	66 Å²	66	120.6 Å²	120.6	68%	0.68	74%	0.739	S	S	*	*			cis	163.1	137.9	-13.6	0	0	0	0	0	116.4
620	L	27.2	Very low	28.8	Very low	176 Å²	176	121.7 Å²	121.7	92%	0.921	75%	0.746	S	S	*	*			trans	70.1	134.6	150.6	-64.9	170	0	0	0	123.1
621	T	36.4	Very low	29	Very low	125 Å²	125	125.1 Å²	125.1	77%	0.767	75%	0.754	S	S	*	*			trans	-81.7	163.8	158.3	51.1	0	0	0	0	111.4
622	P	41.3	Very low	29.3	Very low	89 Å²	89	126.7 Å²	126.7	58%	0.578	76%	0.759	S	S	*	*				-139.7	159.5	99	16.1	7.6	0	0	0	113.1
623	S	32.9	Very low	30.5	Very low	100 Å²	100	128 Å²	128	70%	0.699	77%	0.769	S	S	*	*				62.3	145.3	66	108.9	0	0	0	0	113.9
624	T	34.7	Very low	31	Very low	137 Å²	137	132.6 Å²	132.6	84%	0.84	78%	0.775	S	S	*	*			cis	-157.1	-178.4	14.4	-11.2	0	0	0	0	108.1
625	G	28.2	Very low	32.3	Very low	68 Å²	68	131.9 Å²	131.9	70%	0.701	77%	0.773	S	S	*	*			cis	-178.3	-156.1	10.3	0	0	0	0	0	114.5
626	M	30.6	Very low	32.5	Very low	173 Å²	173	133.6 Å²	133.6	85%	0.852	78%	0.778	S	S	*	*			trans	-90.9	171.7	-163.2	-52.5	170.6	171.6	0	0	116.1
627	T	28.7	Very low	32.7	Very low	145 Å²	145	133.5 Å²	133.5	89%	0.89	77%	0.772	S	S	*	*				-150.7	158.6	118.5	7.4	0	0	0	0	113.2
628	T	33.1	Very low	33	Very low	117 Å²	117	133.5 Å²	133.5	72%	0.718	77%	0.772	S	S	*	*			trans	-130.5	175.6	179.6	51.4	0	0	0	0	110.1
629	I	27	Very low	33.1	Very low	175 Å²	175	133 Å²	133	90%	0.897	77%	0.765	S	S	*	*			trans	-167.7	165.5	147.2	-103.7	153.3	0	0	0	110.7
630	S	28.4	Very low	33.5	Very low	102 Å²	102	136.4 Å²	136.4	71%	0.713	77%	0.766	S	S	*	*			trans	-142.2	167.7	-171.5	175.5	0	0	0	0	109.5
631	E	30.5	Very low	33.8	Very low	190 Å²	190	136.5 Å²	136.5	89%	0.888	76%	0.761	S	S	*	*			trans	170.2	172.2	133.5	-93.7	168.6	-171.3	0	0	116.3
632	M	34.1	Very low	33.5	Very low	162 Å²	162	134.4 Å²	134.4	80%	0.798	76%	0.757	S	S	*	*			trans	-151	150	-177	-99	-87.8	-174	0	0	107.6
633	P	49.2	Very low	33.1	Very low	123 Å²	123	136.2 Å²	136.2	80%	0.799	77%	0.766	S	S	*	*				-159.7	-170.7	98.6	41.4	-19.6	0	0	0	118.2
634	Y	34	Very low	32.9	Very low	214 Å²	214	138.8 Å²	138.8	84%	0.839	77%	0.773	S	S	*	*			trans	-78.6	-178.9	-179.8	-93.3	-85.4	0	0	0	115
635	P	51.8	Low	32.8	Very low	100 Å²	100	139.3 Å²	139.3	65%	0.649	78%	0.775	S	S	*	*			cis	-157.5	-173.1	41.8	47.9	-24.8	0	0	0	121.9
636	D	30.4	Very low	33	Very low	143 Å²	143	139.8 Å²	139.8	77%	0.765	77%	0.772	S	S	*	*			trans	67.2	150.6	149.1	-64.9	-9.9	0	0	0	122.8
637	E	30.4	Very low	33	Very low	149 Å²	149	140.1 Å²	140.1	70%	0.696	77%	0.772	S	S	*	*			cis	-166.5	152.8	-7.4	-116.7	-90.4	78.7	0	0	113.5
638	T	31.1	Very low	33	Very low	103 Å²	103	137.9 Å²	137.9	63%	0.632	76%	0.762	S	S	*	*			trans	61.5	153.6	163	71.8	0	0	0	0	121.9
639	N	29.8	Very low	32.7	Very low	137 Å²	137	140.6 Å²	140.6	73%	0.733	77%	0.77	S	S	*	*			cis	-156.5	159.4	-2.1	-132.2	-40.2	0	0	0	115.8
640	L	34.6	Very low	32.8	Very low	137 Å²	137	135.3 Å²	135.3	72%	0.717	76%	0.759	S	S	*	*			trans	75.6	126	154.1	-76.2	161.5	0	0	0	125.2
641	H	32.1	Very low	33.5	Very low	177 Å²	177	136.5 Å²	136.5	82%	0.819	77%	0.765	S	S	*	*			trans	89.2	126.5	148.5	-82.2	-63.8	0	0	0	125.1
642	A	30.9	Very low	33.7	Very low	81 Å²	81	133.6 Å²	133.6	67%	0.669	76%	0.76	S	S	*	*			trans	80	90.5	141.2	0	0	0	0	0	123.1
643	T	31.9	Very low	33.9	Very low	127 Å²	127	131.3 Å²	131.3	78%	0.779	76%	0.757	S	S	*	*			trans	33.2	120.8	131.8	55.2	0	0	0	0	123.5
644	N	30.5	Very low	32.9	Very low	155 Å²	155	131.6 Å²	131.6	83%	0.829	76%	0.756	S	S	*	*			trans	77.5	133.7	134.8	-83.4	-1.9	0	0	0	123.8
645	V	32.5	Very low	32.7	Very low	148 Å²	148	127.1 Å²	127.1	90%	0.897	76%	0.755	S	S	*	*			trans	72.7	151.7	160.1	-178.6	0	0	0	0	116.1
646	A	31.2	Very low	31.8	Very low	77 Å²	77	129.2 Å²	129.2	64%	0.636	76%	0.76	S	S	*	*			trans	-140.2	157.9	-158.1	0	0	0	0	0	114.8
647	Q	31.9	Very low	31.9	Very low	181 Å²	181	130.7 Å²	130.7	85%	0.846	76%	0.762	S	S	*	*			trans	65	112.7	164.4	-63.8	161.3	-12.6	0	0	116.4
648	S	27.8	Very low	31.9	Very low	97 Å²	97	130.8 Å²	130.8	68%	0.678	77%	0.767	S	S	*	*			cis	71.6	114.8	43.3	84.8	0	0	0	0	113.4
649	I	25.9	Very low	32.3	Very low	174 Å²	174	131 Å²	131	89%	0.892	77%	0.768	S	S	*	*			cis	57.2	120.3	16.8	-43.9	177.3	0	0	0	112.7
650	G	29.8	Very low	32.8	Very low	65 Å²	65	134.3 Å²	134.3	67%	0.67	78%	0.779	S	S	*	*			cis	-178.5	-141.6	1.9	0	0	0	0	0	106.8
651	P	43.7	Very low	33.2	Very low	127 Å²	127	136 Å²	136	83%	0.825	78%	0.784	S	S	*	*			cis	-122.1	-170.1	-49.2	40.8	-26.8	0	0	0	112.3
652	T	34.3	Very low	33.3	Very low	128 Å²	128	133.9 Å²	133.9	79%	0.785	78%	0.778	S	S	*	*			trans	-60.4	158.6	169.7	47.3	0	0	0	0	113.1
653	P	37.8	Very low	33.8	Very low	114 Å²	114	137.7 Å²	137.7	74%	0.74	79%	0.786	S	S	*	*				-163	-175.4	86.8	47.5	-27.3	0	0	0	118.9
654	V	27.9	Very low	34.1	Very low	130 Å²	130	140.9 Å²	140.9	79%	0.788	79%	0.792	S	S	*	*			trans	69	132.3	157	175.4	0	0	0	0	119.9
655	C	31.4	Very low	34.5	Very low	119 Å²	119	138.3 Å²	138.3	80%	0.804	78%	0.782	S	S	*	*			trans	-95	140.6	165.6	173.8	0	0	0	0	110.6
656	L	33	Very low	34.8	Very low	144 Å²	144	139.7 Å²	139.7	75%	0.754	79%	0.785	S	S	*	*			trans	-137.2	160.9	165.9	-94.9	173.5	0	0	0	110.8
657	Q	32.2	Very low	35.2	Very low	174 Å²	174	144.7 Å²	144.7	81%	0.813	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-77	146.1	-167.5	-62.6	148.8	-82.3	0	0	112.7
658	L	30.4	Very low	35.7	Very low	152 Å²	152	143.5 Å²	143.5	80%	0.796	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-95.7	144.7	159.3	-72.6	169.6	0	0	0	109.5
659	T	38.1	Very low	36.7	Very low	107 Å²	107	143 Å²	143	66%	0.656	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-98.5	162.5	-179.3	38.7	0	0	0	0	112.3	E661	T659-E661 PolarHBondContact O-N 2.75Å
660	E	40.3	Very low	37.6	Very low	206 Å²	206	139.5 Å²	139.5	96%	0.963	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	52.6	-174.1	-161	172.7	174.7	0	0	112.8
661	E	42.8	Very low	38.5	Very low	174 Å²	174	144.3 Å²	144.3	81%	0.813	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.2	-16.8	-178.4	-144.3	164.5	-157.2	0	0	113.7	T659 L663	T659-E661 PolarHBondContact O-N 2.75Å; E661-L663 VanDerWaalsContact C-N 3.29Å; E661-L663 PolarHBondContact O-N 2.84Å
662	D	35.5	Very low	38.9	Very low	131 Å²	131	144.4 Å²	144.4	70%	0.701	76%	0.761	S	S	*	*	S	Bend	trans	-85.2	19.6	178.1	-75.1	-48.3	0	0	0	114.5
663	L	41.1	Very low	39.8	Very low	161 Å²	161	142.1 Å²	142.1	84%	0.843	75%	0.747	S	S	*	*			trans	-131.6	38.3	-166	-132.8	167.3	0	0	0	115.2	E661	E661-L663 VanDerWaalsContact C-N 3.29Å; E661-L663 PolarHBondContact O-N 2.84Å
664	E	39.1	Very low	40	Very low	195 Å²	195	140.8 Å²	140.8	91%	0.911	73%	0.733	S	S	*	*			trans	-115.9	155.4	167.8	-72.7	-140.3	133.1	0	0	114
665	T	38	Very low	40.8	Very low	100 Å²	100	141.9 Å²	141.9	61%	0.613	73%	0.727	S	S	*	*			trans	-106.8	131.6	-156.9	61.3	0	0	0	0	114.7	K667	T665-K667 PolarHBondContact O-N 2.92Å
666	N	38	Very low	41.3	Very low	177 Å²	177	141.6 Å²	141.6	95%	0.947	72%	0.718	S	S	*	*			trans	-72.8	93.3	160.4	-88.2	-54.8	0	0	0	110.8
667	K	39.6	Very low	41.6	Very low	183 Å²	183	140.2 Å²	140.2	80%	0.796	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-87.2	126.5	170.1	-74.2	173.3	-179.4	168.5	0	110.3	T665	T665-K667 PolarHBondContact O-N 2.92Å
668	L	43.8	Very low	41.9	Very low	155 Å²	155	138.5 Å²	138.5	81%	0.812	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-72.4	146	171.7	-69.3	163.8	0	0	0	110.9	P670	L668-P670 WeakPolarHBondContact O-CD 3.38Å
669	D	47.3	Very low	42.3	Very low	87 Å²	87	139.5 Å²	139.5	47%	0.465	70%	0.701	S	S	.	*	P	Polyproline II helix	trans	-73.9	120.4	179.8	-173.3	-18.3	0	0	0	111	K671 E672	D669-K671 PolarHBondContact O-N 2.89Å; D669-K671 WeakPolarHBondContact OD1-CB 3.37Å; D669-K671 PolarHBondContact OD1-N 2.84Å; D669-E672 PolarHBondContact O-N 3.43Å; D669-E672 VanDerWaalsContact O-N 3.11Å
670	P	46.5	Very low	42.3	Very low	101 Å²	101	139.3 Å²	139.3	66%	0.656	70%	0.704	S	S	*	*	H	α-helix	trans	-54.6	-25.2	176.2	-26.8	35.9	0	0	0	114.7	L668 V673 D674	L668-P670 WeakPolarHBondContact O-CD 3.38Å; P670-V673 PolarHBondContact O-N 3.37Å; P670-D674 PolarHBondContact O-N 3.47Å
671	K	48.3	Very low	41.9	Very low	166 Å²	166	133.2 Å²	133.2	72%	0.722	68%	0.684	S	S	*	*	H	α-helix	trans	-75.9	-24.9	-178.9	-66.2	171.8	-177.6	168.5	0	113.4	D669 K675	D669-K671 PolarHBondContact O-N 2.89Å; D669-K671 WeakPolarHBondContact OD1-CB 3.37Å; D669-K671 PolarHBondContact OD1-N 2.84Å; K671-K675 WeakPolarHBondContact O-CB 3.26Å; K671-K675 PolarHBondContact O-N 3.23Å
672	E	50.8	Low	41.5	Very low	129 Å²	129	132 Å²	132	60%	0.603	68%	0.683	S	S	*	*	H	α-helix	trans	-76.1	-32.2	172.5	-169.8	154.9	-140.8	0	0	110.7	D669 N676	D669-E672 PolarHBondContact O-N 3.43Å; D669-E672 VanDerWaalsContact O-N 3.11Å; E672-N676 PolarHBondContact O-N 2.99Å; E672-N676 PolarHBondContact O-ND2 2.86Å
673	V	53.5	Low	41.4	Very low	80 Å²	80	133.9 Å²	133.9	49%	0.485	69%	0.688	S	S	.	*	H	α-helix	trans	-67.8	-50.5	173.1	-174.5	0	0	0	0	111.6	P670 K675 N676 L677	P670-V673 PolarHBondContact O-N 3.37Å; V673-K675 VanDerWaalsContact C-N 3.26Å; V673-K675 PolarHBondContact O-N 2.71Å; V673-N676 PolarHBondContact O-N 3.26Å; V673-L677 HydrophobicContact CG1-CD1 4.02Å; V673-L677 PolarHBondContact O-N 3.05Å; V673-L677 VanDerWaalsContact O-N 3.11Å
674	D	42.5	Very low	40.7	Very low	86 Å²	86	133 Å²	133	46%	0.46	68%	0.684	S	S	.	*	H	α-helix	trans	-62	-33.6	178.8	-171.3	63.5	0	0	0	112.2	P670 L677 K678	P670-D674 PolarHBondContact O-N 3.47Å; D674-L677 PolarHBondContact O-N 3.43Å; D674-K678 WeakPolarHBondContact O-CB 3.42Å; D674-K678 PolarHBondContact O-N 3.41Å; D674-K678 IonicContact OD1-NZ 3.39Å; D674-K678 PolarHBondContact OD1-NZ 3.48Å; D674-K678 IonicContact OD2-NZ 2.73Å; D674-K678 PolarHBondContact OD2-NZ 3.02Å
675	K	45.5	Very low	40.2	Very low	152 Å²	152	130 Å²	130	66%	0.661	67%	0.674	S	S	*	*	H	α-helix	trans	-63.9	-44.5	175.9	-172.2	-172.7	173.8	-160.9	0	112.3	K671 V673 L677 K678	K671-K675 WeakPolarHBondContact O-CB 3.26Å; K671-K675 PolarHBondContact O-N 3.23Å; V673-K675 VanDerWaalsContact C-N 3.26Å; V673-K675 PolarHBondContact O-N 2.71Å; K675-L677 VanDerWaalsContact C-N 3.34Å; K675-K678 PolarHBondContact O-N 2.84Å
676	N	41.9	Very low	39.8	Very low	113 Å²	113	134.6 Å²	134.6	60%	0.604	69%	0.69	S	S	*	*	H	α-helix	trans	-70.7	-28.8	179.1	-76.9	-76.5	0	0	0	112.6	E672 V673 K678	E672-N676 PolarHBondContact O-N 2.99Å; E672-N676 PolarHBondContact O-ND2 2.86Å; V673-N676 PolarHBondContact O-N 3.26Å; N676-K678 VanDerWaalsContact C-N 3.32Å
677	L	38.9	Very low	39.3	Very low	115 Å²	115	132.9 Å²	132.9	60%	0.602	68%	0.677	S	S	*	*	H	α-helix	trans	-74.4	-18.7	174.8	-73.8	167.3	0	0	0	113.7	V673 D674 K675	V673-L677 HydrophobicContact CG1-CD1 4.02Å; V673-L677 PolarHBondContact O-N 3.05Å; V673-L677 VanDerWaalsContact O-N 3.11Å; D674-L677 PolarHBondContact O-N 3.43Å; K675-L677 VanDerWaalsContact C-N 3.34Å
678	K	38.2	Very low	38.8	Very low	139 Å²	139	131.2 Å²	131.2	60%	0.604	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	0.5	-173.9	-133.3	177.7	-141.1	82.9	0	115	D674 K675 N676	D674-K678 WeakPolarHBondContact O-CB 3.42Å; D674-K678 PolarHBondContact O-N 3.41Å; D674-K678 IonicContact OD1-NZ 3.39Å; D674-K678 PolarHBondContact OD1-NZ 3.48Å; D674-K678 IonicContact OD2-NZ 2.73Å; D674-K678 PolarHBondContact OD2-NZ 3.02Å; K675-K678 PolarHBondContact O-N 2.84Å; N676-K678 VanDerWaalsContact C-N 3.32Å
679	E	37.8	Very low	38.1	Very low	173 Å²	173	129.9 Å²	129.9	81%	0.808	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	10.1	-175.7	-152.1	161.3	-131.3	0	0	112.8
680	S	38.3	Very low	37.2	Very low	103 Å²	103	134.1 Å²	134.1	72%	0.72	70%	0.697	S	S	*	*	S	Bend	trans	-124.1	24.3	-176.2	75.3	0	0	0	0	116
681	S	33.1	Very low	36.4	Very low	77 Å²	77	137.7 Å²	137.7	54%	0.538	70%	0.702	S	S	.	*			trans	-155.2	124.4	174.2	52.4	0	0	0	0	107.5
682	D	34.3	Very low	35.5	Very low	148 Å²	148	136.4 Å²	136.4	79%	0.791	70%	0.698	S	S	*	*			cis	-149.4	169	31.3	-83.1	-46.4	0	0	0	114.8
683	E	32.4	Very low	34.3	Very low	171 Å²	171	138.4 Å²	138.4	80%	0.799	71%	0.706	S	S	*	*			trans	30	128	151.3	-62.6	-171.4	149.5	0	0	121.6
684	N	27.4	Very low	33	Very low	144 Å²	144	140 Å²	140	77%	0.77	72%	0.72	S	S	*	*				-162.5	147.4	114.6	-113.6	-83.4	0	0	0	114.3
685	L	28.1	Very low	32.3	Very low	132 Å²	132	139.4 Å²	139.4	69%	0.691	73%	0.734	S	S	*	*			trans	49.3	114.6	153.8	-69.1	159.1	0	0	0	120.4
686	M	29.5	Very low	31.6	Very low	195 Å²	195	138.2 Å²	138.2	96%	0.961	74%	0.742	S	S	*	*				-147	107.1	98.8	-118.2	-167.6	-58.4	0	0	112.5
687	E	28.6	Very low	31.2	Very low	142 Å²	142	139.8 Å²	139.8	66%	0.664	75%	0.75	S	S	*	*			trans	-77.7	168.7	162.6	-162.2	177.5	-153	0	0	109.9
688	H	27.7	Very low	30.8	Very low	148 Å²	148	140.7 Å²	140.7	69%	0.685	76%	0.763	S	S	*	*			trans	57.3	101.3	165.7	-72.7	-57	0	0	0	119.5
689	S	29.5	Very low	30.2	Very low	126 Å²	126	141.6 Å²	141.6	88%	0.881	77%	0.774	S	S	*	*				-159.5	80.9	122.1	-85.5	0	0	0	0	112.3
690	L	28.7	Very low	29.7	Very low	176 Å²	176	139 Å²	139	92%	0.921	78%	0.775	S	S	*	*			trans	-134.2	74.9	160.7	-149.3	94.8	0	0	0	111.3
691	K	28.6	Very low	29.1	Very low	176 Å²	176	138.5 Å²	138.5	77%	0.765	77%	0.771	S	S	*	*			trans	-141.6	138.2	163	-78.8	-176.3	179.9	172.1	0	105.2
692	Q	30	Very low	28.7	Very low	139 Å²	139	139.4 Å²	139.4	65%	0.65	77%	0.773	S	S	*	*			cis	-159.3	151.4	14.2	-121.6	163.1	-36.7	0	0	110.6
693	F	25.9	Very low	28.4	Very low	172 Å²	172	136.1 Å²	136.1	75%	0.754	76%	0.762	S	S	*	*			trans	56.1	115.4	159.3	-55.6	-52.4	0	0	0	118.5
694	S	25.5	Very low	28.2	Very low	114 Å²	114	131.4 Å²	131.4	80%	0.797	75%	0.748	S	S	*	*				93.9	138.4	62.1	-69.7	0	0	0	0	112.9
695	G	28.6	Very low	28.3	Very low	73 Å²	73	128.5 Å²	128.5	75%	0.753	74%	0.739	S	S	*	*			trans	-83.4	-146.7	-178	0	0	0	0	0	114.3
696	P	31.3	Very low	28.5	Very low	127 Å²	127	129.4 Å²	129.4	83%	0.825	74%	0.744	S	S	*	*			cis	-130.9	-178.5	22.7	42.8	-27.6	0	0	0	116.2
697	D	34	Very low	28.4	Very low	145 Å²	145	126.2 Å²	126.2	78%	0.775	73%	0.73	S	S	*	*			trans	-66.1	165.5	163	-52.2	-81.1	0	0	0	112.8
698	P	28.8	Very low	28.2	Very low	134 Å²	134	129.7 Å²	129.7	87%	0.87	74%	0.739	S	S	*	*				-142.6	-179.9	103.1	37.4	-22.4	0	0	0	115.9
699	L	26.7	Very low	29.1	Very low	159 Å²	159	127.6 Å²	127.6	83%	0.832	74%	0.738	S	S	*	*			trans	-110.4	160.1	-161.5	-67.7	159.5	0	0	0	116.2
700	S	26	Very low	28.9	Very low	118 Å²	118	128.6 Å²	128.6	83%	0.825	73%	0.733	S	S	*	*			trans	72.4	163.5	154.9	80.2	0	0	0	0	118.2
701	S	26.6	Very low	29	Very low	92 Å²	92	127.3 Å²	127.3	64%	0.643	73%	0.725	S	S	*	*			cis	-151.5	-162.2	10.9	43.9	0	0	0	0	110.3
702	T	24.3	Very low	28.8	Very low	96 Å²	96	128 Å²	128	59%	0.589	73%	0.728	S	S	*	*			cis	-139.7	-98	22.8	35.2	0	0	0	0	118.3	E602	E602-T702 WeakPolarHBondContact OE2-CA 3.3Å; E602-T702 VanDerWaalsContact OE2-CB 3.25Å; E602-T702 WeakPolarHBondContact OE2-CB 3.5Å; E602-T702 PolarHBondContact OE2-N 3.25Å; E602-T702 VanDerWaalsContact OE2-N 3.11Å; E602-T702 PolarHBondContact OE2-OG1 3.28Å
703	S	28.7	Very low	28.7	Very low	80 Å²	80	127.8 Å²	127.8	56%	0.559	73%	0.731	S	S	*	*			trans	-160.9	92.4	-172	-75.7	0	0	0	0	120.1	P601 E602	P601-S703 WeakPolarHBondContact CD-OG 3.22Å; E602-S703 VanDerWaalsContact CB-N 3.33Å; E602-S703 PolarHBondContact OE1-N 3.29Å; E602-S703 PolarHBondContact OE2-N 2.97Å
704	S	28	Very low	28.8	Very low	71 Å²	71	123.8 Å²	123.8	50%	0.497	73%	0.73	S	S	.	*			trans	-149.2	160.8	173	-65.3	0	0	0	0	116.8	P601 E602	P601-S704 VanDerWaalsContact CB-O 3.22Å; P601-S704 WeakPolarHBondContact CB-O 3.2Å; E602-S704 VanDerWaalsContact CD-N 3.31Å; E602-S704 PolarHBondContact N-O 3.41Å; E602-S704 WeakPolarHBondContact OE1-CB 3.3Å; E602-S704 PolarHBondContact OE1-N 2.83Å; E602-S704 PolarHBondContact OE1-OG 3.01Å
705	S	29.4	Very low	28.9	Very low	84 Å²	84	123.6 Å²	123.6	59%	0.587	72%	0.723	S	S	*	*			trans	-168	165.7	-155.7	62.3	0	0	0	0	118.5
706	L	31.5	Very low	29.1	Very low	151 Å²	151	129 Å²	129	79%	0.791	73%	0.729	S	S	*	*			trans	72.4	162.5	159.2	-50.7	-178.1	0	0	0	118.1
707	L	28.2	Very low	29	Very low	128 Å²	128	127 Å²	127	67%	0.67	72%	0.723	S	S	*	*			cis	-168.5	125.5	-23.9	-101.3	171.4	0	0	0	111.6
708	Y	24.7	Very low	28.8	Very low	215 Å²	215	126.9 Å²	126.9	84%	0.843	73%	0.728	S	S	*	*			trans	54.1	-177.3	151.9	-94.1	-86.7	0	0	0	119.6
709	P	45.8	Very low	28.8	Very low	103 Å²	103	123.8 Å²	123.8	67%	0.669	72%	0.721	S	S	*	*			cis	-135.1	-174.2	-21.2	36.9	-17.2	0	0	0	117.6
710	L	26	Very low	28.8	Very low	147 Å²	147	124.3 Å²	124.3	77%	0.77	72%	0.719	S	S	*	*			trans	92.8	92.2	146.2	-82.1	168.5	0	0	0	124.9
711	I	29.8	Very low	29	Very low	149 Å²	149	125.6 Å²	125.6	76%	0.764	71%	0.712	S	S	*	*				31.3	125.3	122.2	-52.9	176.2	0	0	0	122.3
712	K	24.2	Very low	29	Very low	190 Å²	190	126.5 Å²	126.5	83%	0.826	71%	0.709	S	S	*	*			trans	171.8	160.6	133.4	-100.4	-162.9	178.3	-174.8	0	110.6
713	L	28.1	Very low	29.1	Very low	135 Å²	135	130.3 Å²	130.3	71%	0.707	72%	0.718	S	S	*	*			cis	-171.2	139.3	-31.2	-131.9	-176.7	0	0	0	109.1	V715	L713-V715 HydrophobicContact CD2-CG2 4.34Å
714	A	28.8	Very low	29	Very low	89 Å²	89	132 Å²	132	74%	0.736	73%	0.725	S	S	*	*			trans	156.7	135.7	164.1	0	0	0	0	0	109.8
715	V	28	Very low	29	Very low	109 Å²	109	137.1 Å²	137.1	66%	0.661	74%	0.741	S	S	*	*			cis	75.9	123	1.6	-168.7	0	0	0	0	113.8	L713	L713-V715 HydrophobicContact CD2-CG2 4.34Å
716	E	31.7	Very low	29	Very low	187 Å²	187	137.8 Å²	137.8	87%	0.874	75%	0.752	S	S	*	*			cis	-149	-165.3	19.4	-146.6	141.5	-141.1	0	0	115.8
717	A	30	Very low	28.7	Very low	85 Å²	85	134.3 Å²	134.3	70%	0.702	75%	0.745	S	S	*	*			trans	-77.5	-171.3	-172.6	0	0	0	0	0	115
718	T	28.9	Very low	28.7	Very low	143 Å²	143	136.1 Å²	136.1	88%	0.877	76%	0.756	S	S	*	*			cis	-153.1	170.1	25.1	48.4	0	0	0	0	110.9
719	G	28.5	Very low	28.9	Very low	69 Å²	69	129.3 Å²	129.3	71%	0.711	75%	0.75	S	S	*	*			cis	170	172.4	-2.7	0	0	0	0	0	113.5
720	Q	28.2	Very low	28.1	Very low	170 Å²	170	133.3 Å²	133.3	79%	0.794	76%	0.76	S	S	*	*			trans	49.6	124.1	159.9	-75.1	171.3	-98.6	0	0	124.1
721	Q	29	Very low	28.2	Very low	144 Å²	144	130.4 Å²	130.4	67%	0.673	76%	0.758	S	S	*	*			trans	67.4	152	131.8	-66.2	179.6	-85.5	0	0	120.2
722	D	26.6	Very low	28.1	Very low	112 Å²	112	128.9 Å²	128.9	60%	0.599	76%	0.759	S	S	*	*			cis	-159.9	161.7	-8.8	-115.4	-20.8	0	0	0	113.1
723	F	26.2	Very low	28.2	Very low	176 Å²	176	126.6 Å²	126.6	77%	0.772	76%	0.755	S	S	*	*			trans	47.5	150	151.3	-88	-87.9	0	0	0	125.6
724	T	27.2	Very low	28.2	Very low	116 Å²	116	127.2 Å²	127.2	71%	0.712	76%	0.757	S	S	*	*			trans	64.9	137.6	160.8	49.1	0	0	0	0	118.6
725	Q	29	Very low	29.1	Very low	177 Å²	177	127.9 Å²	127.9	83%	0.827	75%	0.754	S	S	*	*			cis	112.6	138.5	16.3	-175.8	-179.8	26	0	0	112
726	A	27.7	Very low	29.1	Very low	98 Å²	98	129.7 Å²	129.7	81%	0.81	76%	0.76	S	S	*	*			trans	71	154.8	174.9	0	0	0	0	0	116.9
727	A	27.1	Very low	29	Very low	79 Å²	79	127 Å²	127	65%	0.653	76%	0.756	S	S	*	*			cis	-168.4	159.1	-27	0	0	0	0	0	110.9
728	N	28	Very low	29	Very low	166 Å²	166	130.3 Å²	130.3	89%	0.888	76%	0.761	S	S	*	*			trans	48.2	147.3	148	-59.5	-5	0	0	0	122.9
729	G	28.1	Very low	30	Very low	71 Å²	71	128.3 Å²	128.3	73%	0.732	75%	0.75	S	S	*	*			trans	124	93.1	171.9	0	0	0	0	0	112.3
730	Q	28.8	Very low	29.9	Very low	187 Å²	187	130.4 Å²	130.4	87%	0.874	75%	0.75	S	S	*	*			cis	95.5	102.1	33.5	-160.8	174.3	6.8	0	0	114.2
731	A	28.7	Very low	30.2	Very low	87 Å²	87	130 Å²	130	72%	0.719	75%	0.748	S	S	*	*			trans	78.2	125	151.1	0	0	0	0	0	123.4
732	C	26.3	Very low	30.3	Very low	116 Å²	116	130.1 Å²	130.1	78%	0.784	75%	0.751	S	S	*	*				99	130.2	124	-88.4	0	0	0	0	124.9
733	L	27.8	Very low	30.7	Very low	142 Å²	142	133.9 Å²	133.9	74%	0.743	76%	0.759	S	S	*	*			trans	77.5	113.3	148.6	-58	167.8	0	0	0	119.4
734	I	26.9	Very low	31.8	Very low	148 Å²	148	131.4 Å²	131.4	76%	0.759	76%	0.76	S	S	*	*				70.6	136.5	76	-69.9	-176.6	0	0	0	112.9
735	P	47.8	Very low	32.1	Very low	104 Å²	104	133 Å²	133	68%	0.675	76%	0.764	S	S	*	*			cis	-140	-178.2	-0.3	36.5	-14	0	0	0	118.9
736	D	29.3	Very low	33.1	Very low	146 Å²	146	129.3 Å²	129.3	78%	0.781	76%	0.755	S	S	*	*				101.7	145	124.8	-101.9	-37.4	0	0	0	129
737	V	27.9	Very low	33.1	Very low	130 Å²	130	133 Å²	133	79%	0.788	75%	0.752	S	S	*	*			trans	85.6	138.4	149.8	167.4	0	0	0	0	123.9
738	L	30.3	Very low	33.5	Very low	156 Å²	156	136.4 Å²	136.4	82%	0.817	76%	0.755	S	S	*	*			trans	-106.5	-161.7	179.3	-137.6	77.8	0	0	0	110.7
739	P	49.5	Very low	33.9	Very low	100 Å²	100	135.3 Å²	135.3	65%	0.649	75%	0.745	S	S	*	*			cis	-155.8	-158.3	34.6	42.5	-16	0	0	0	118.4
740	T	28.4	Very low	33.9	Very low	113 Å²	113	139.8 Å²	139.8	69%	0.693	75%	0.752	S	S	*	*			trans	74.4	147.6	150.3	45.7	0	0	0	0	122.7
741	Q	34.5	Very low	33.9	Very low	162 Å²	162	138 Å²	138	76%	0.757	75%	0.747	S	S	*	*			cis	-176	168.5	-27	-129.4	-179.6	4	0	0	114.9
742	I	29.9	Very low	35	Very low	146 Å²	146	138.7 Å²	138.7	75%	0.749	74%	0.744	S	S	*	*			trans	95.8	152.4	146.9	-73.4	159.7	0	0	0	123.2
743	Y	35.1	Very low	35.2	Very low	192 Å²	192	143.1 Å²	143.1	75%	0.753	75%	0.751	S	S	*	*			trans	-104.9	-169	-166.2	-92.8	-87.9	0	0	0	113.3
744	P	50.1	Low	35.2	Very low	124 Å²	124	147.6 Å²	147.6	81%	0.805	76%	0.758	S	S	*	*			cis	-149.7	-169.1	23.7	45.3	-21.3	0	0	0	121.2
745	L	32	Very low	36.2	Very low	150 Å²	150	144.9 Å²	144.9	79%	0.785	75%	0.75	S	S	*	*			trans	-79.5	177.4	180	-92	163.7	0	0	0	115.1
746	P	50.5	Low	35.4	Very low	98 Å²	98	146 Å²	146	64%	0.636	76%	0.755	S	S	*	*				-167.4	-174.4	53.6	48.3	-24.5	0	0	0	123.4
747	K	29.1	Very low	35.4	Very low	175 Å²	175	144.4 Å²	144.4	76%	0.761	76%	0.755	S	S	*	*			trans	75.6	131.3	155.2	-74.2	161.8	-176.3	176.9	0	120.3
748	Q	34.8	Very low	35.3	Very low	152 Å²	152	145.8 Å²	145.8	71%	0.71	76%	0.757	S	S	*	*			cis	89.5	143.4	40.6	-73.9	169.9	-91.1	0	0	113.8
749	Q	36	Very low	35.8	Very low	142 Å²	142	143.2 Å²	143.2	66%	0.664	75%	0.749	S	S	*	*			cis	-167.2	164.5	8.4	-148.5	163.4	-94.6	0	0	111.7
750	N	27.7	Very low	34.8	Very low	165 Å²	165	146 Å²	146	88%	0.882	76%	0.758	S	S	*	*			trans	-173	167.9	143.4	-100.9	-36.9	0	0	0	117.5
751	L	28.5	Very low	34.6	Very low	150 Å²	150	146.4 Å²	146.4	79%	0.785	76%	0.756	S	S	*	*			trans	-152.1	-169.4	-166.6	-94.7	159.5	0	0	0	109.5
752	P	53.4	Low	34.3	Very low	101 Å²	101	143.4 Å²	143.4	66%	0.656	75%	0.749	S	S	*	*			cis	-133.2	-179.6	-37.4	36.8	-20.3	0	0	0	114.2
753	K	29	Very low	34.1	Very low	210 Å²	210	144.9 Å²	144.9	91%	0.913	75%	0.75	S	S	*	*				-178.9	175	126.8	-99.3	163.6	-174.5	176.9	0	116.5
754	R	29.1	Very low	33.7	Very low	236 Å²	236	142.3 Å²	142.3	89%	0.891	75%	0.749	S	S	*	*			trans	-129.6	-177.1	-164.7	-123.7	-168.9	169.6	-172.8	-0.4	108.7
755	P	47.6	Very low	32.5	Very low	91 Å²	91	140.9 Å²	140.9	59%	0.591	74%	0.742	S	S	*	*			cis	-142.2	-164.6	-20.8	37.6	-15.7	0	0	0	115.3
756	T	30.2	Very low	32.2	Very low	128 Å²	128	138.9 Å²	138.9	79%	0.785	74%	0.736	S	S	*	*			trans	70.8	147	149.4	43.1	0	0	0	0	121
757	S	28.9	Very low	31	Very low	111 Å²	111	143 Å²	143	78%	0.776	74%	0.744	S	S	*	*			cis	-165.3	167	-8.6	46.5	0	0	0	0	114.2
758	L	26.9	Very low	30.8	Very low	160 Å²	160	143.1 Å²	143.1	84%	0.838	75%	0.747	S	S	*	*			trans	-60.8	-177.6	164.1	-70.4	118.5	0	0	0	113.2
759	P	39.9	Very low	31.3	Very low	101 Å²	101	140.1 Å²	140.1	66%	0.656	74%	0.741	S	S	*	*			cis	-151.3	177.1	16.1	44.5	-23.3	0	0	0	120.8
760	L	28.5	Very low	30.9	Very low	160 Å²	160	144 Å²	144	84%	0.838	75%	0.749	S	S	*	*			trans	59.2	173	148.7	-67.7	157.6	0	0	0	120.1
761	N	25.5	Very low	30.9	Very low	121 Å²	121	141.9 Å²	141.9	65%	0.647	74%	0.738	S	S	*	*			cis	-171.1	163.4	-44.8	-167.2	9.1	0	0	0	111.1
762	T	26.6	Very low	30.9	Very low	98 Å²	98	142.6 Å²	142.6	60%	0.601	74%	0.735	S	S	*	*			trans	66.2	127.7	155.8	40	0	0	0	0	123.7
763	K	26.2	Very low	29.6	Very low	177 Å²	177	147.4 Å²	147.4	77%	0.77	75%	0.745	S	S	*	*				84.8	128.2	128.6	-77.6	-179.1	176.8	178.7	0	123.7
764	N	26.3	Very low	29.5	Very low	138 Å²	138	140.8 Å²	140.8	74%	0.738	74%	0.737	S	S	*	*				86.8	114.3	126.4	-74.1	19.9	0	0	0	123.4
765	S	25.8	Very low	29.5	Very low	94 Å²	94	134.1 Å²	134.1	66%	0.657	73%	0.726	S	S	*	*				91.5	119.7	113.3	-158	0	0	0	0	122
766	T	25.5	Very low	28.7	Very low	108 Å²	108	138.4 Å²	138.4	66%	0.663	74%	0.736	S	S	*	*			trans	64.5	127.8	137.6	51.4	0	0	0	0	123.2
767	K	25.8	Very low	28.7	Very low	186 Å²	186	138.5 Å²	138.5	81%	0.809	73%	0.727	S	S	*	*			trans	71.7	117.3	135.6	-69.2	176.4	179.9	-176.6	0	119.5
768	E	24	Very low	28.7	Very low	177 Å²	177	141.2 Å²	141.2	83%	0.827	73%	0.725	S	S	*	*				45.5	161.8	109.3	-97	-161.6	-140.8	0	0	121.5
769	P	45.1	Very low	28.8	Very low	89 Å²	89	138.5 Å²	138.5	58%	0.578	72%	0.719	S	S	*	*			cis	-136.5	-164.9	-20.6	26.1	-1.4	0	0	0	113
770	R	27.8	Very low	28.2	Very low	222 Å²	222	140.9 Å²	140.9	84%	0.838	73%	0.727	S	S	*	*			trans	85.4	154.7	154.9	-55.6	-176.1	140.9	156.7	-4.4	119.2
771	L	27.8	Very low	28.3	Very low	122 Å²	122	141 Å²	141	64%	0.639	73%	0.727	S	S	*	*			cis	-167.5	154	-25.3	-102.5	172.7	0	0	0	109.7
772	K	28.2	Very low	28.5	Very low	165 Å²	165	144.5 Å²	144.5	72%	0.717	74%	0.737	S	S	*	*			trans	70	114	141.1	-84.8	173.8	178.5	-173.5	0	123.6
773	F	26.3	Very low	28.6	Very low	201 Å²	201	147.4 Å²	147.4	88%	0.882	74%	0.743	S	S	*	*				64.5	132	114.3	-90.5	-111.4	0	0	0	122
774	G	28.1	Very low	28.6	Very low	71 Å²	71	146 Å²	146	73%	0.732	75%	0.749	S	S	*	*			trans	143.1	129.8	156.5	0	0	0	0	0	113.3
775	S	29.4	Very low	28.7	Very low	96 Å²	96	145.6 Å²	145.6	67%	0.671	74%	0.743	S	S	*	*			cis	158	123.8	-45	67.1	0	0	0	0	108.2
776	K	29.7	Very low	28.9	Very low	182 Å²	182	147.5 Å²	147.5	79%	0.791	75%	0.751	S	S	*	*			trans	73.2	149.6	164.1	-62.3	171.1	-178.6	175	0	115.5
777	H	29.5	Very low	29.1	Very low	129 Å²	129	145.6 Å²	145.6	60%	0.597	75%	0.753	S	S	*	*			cis	-158.8	141.1	15.7	-128.9	1.2	0	0	0	114.8
778	K	29.8	Very low	29.3	Very low	168 Å²	168	143.3 Å²	143.3	73%	0.73	75%	0.754	S	S	*	*			trans	63.1	145.3	146	-67.6	162.1	174.8	159.6	0	118.3
779	S	28.6	Very low	29.4	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	76%	0.756	S	S	*	*			cis	-160	153.3	43.2	43.5	0	0	0	0	116.3
780	N	27.8	Very low	28.5	Very low	152 Å²	152	144.8 Å²	144.8	81%	0.813	77%	0.768	S	S	*	*			trans	36.3	111.6	146.9	-50.8	-12.6	0	0	0	122
781	L	29.6	Very low	28.6	Very low	163 Å²	163	141 Å²	141	85%	0.853	76%	0.762	S	S	*	*				-160.2	137.6	106.2	-152.7	63	0	0	0	113.3
782	K	30.9	Very low	28.7	Very low	194 Å²	194	142.1 Å²	142.1	84%	0.843	77%	0.768	S	S	*	*			trans	17.9	116.7	167.4	-67.9	-176.6	174.8	-177.1	0	121.4
783	Q	27.4	Very low	28.7	Very low	159 Å²	159	138.7 Å²	138.7	74%	0.743	76%	0.762	S	S	*	*			trans	-73.7	153.6	144.1	-73.9	159.2	-88.7	0	0	111.2	E785	Q783-E785 PolarHBondContact NE2-OE2 3.04Å
784	V	27.6	Very low	28.8	Very low	148 Å²	148	137 Å²	137	90%	0.897	76%	0.76	S	S	*	*			trans	-137.2	137.7	135.7	176.4	0	0	0	0	107
785	E	28.2	Very low	28.7	Very low	129 Å²	129	140.9 Å²	140.9	60%	0.603	76%	0.764	S	S	*	*			trans	-120.8	132.1	-172.6	-93.2	180	91.3	0	0	113.3	Q783	Q783-E785 PolarHBondContact NE2-OE2 3.04Å
786	T	30.2	Very low	28.7	Very low	134 Å²	134	141.2 Å²	141.2	82%	0.822	77%	0.773	S	S	*	*			trans	65.5	167.2	139.3	69.3	0	0	0	0	121.2
787	G	28.3	Very low	28.6	Very low	68 Å²	68	137.4 Å²	137.4	70%	0.701	78%	0.775	S	S	*	*			trans	113.6	94.1	-173.8	0	0	0	0	0	110.5
788	V	30.7	Very low	28.6	Very low	137 Å²	137	139.2 Å²	139.2	83%	0.83	78%	0.784	S	S	*	*			cis	67.4	113.9	33	-171.4	0	0	0	0	113.7
789	A	25.8	Very low	28.6	Very low	106 Å²	106	137 Å²	137	88%	0.876	79%	0.787	S	S	*	*			trans	-137	149.9	161.4	0	0	0	0	0	109.1
790	K	27.7	Very low	28.5	Very low	191 Å²	191	139.9 Å²	139.9	83%	0.83	79%	0.788	S	S	*	*			trans	-147.4	140.4	-166.2	-140.9	-166.9	-177.2	-178.2	0	110.8
791	M	30.1	Very low	28.4	Very low	142 Å²	142	139.1 Å²	139.1	70%	0.7	79%	0.789	S	S	*	*			trans	54.8	140.1	142.2	-144.1	71.1	173.1	0	0	121.6	T793	M791-T793 HydrophobicContact CE-CG2 3.64Å; M791-T793 HydrophobicContact CG-CG2 3.87Å; M791-T793 HydrophobicContact SD-CG2 4.5Å
792	N	28.6	Very low	28.2	Very low	146 Å²	146	138.1 Å²	138.1	78%	0.781	79%	0.789	S	S	*	*				170	109.2	124.4	-82.8	-11.9	0	0	0	108.9
793	T	28.4	Very low	27.8	Very low	94 Å²	94	134.3 Å²	134.3	58%	0.577	78%	0.782	S	S	*	*				78	111	64.4	61	0	0	0	0	116	M791	M791-T793 HydrophobicContact CE-CG2 3.64Å; M791-T793 HydrophobicContact CG-CG2 3.87Å; M791-T793 HydrophobicContact SD-CG2 4.5Å
794	I	28.3	Very low	27.8	Very low	165 Å²	165	132.4 Å²	132.4	85%	0.846	78%	0.781	S	S	*	*			trans	-135.9	125.1	139.7	-59.4	-175.2	0	0	0	109.4
795	N	27.1	Very low	27.7	Very low	152 Å²	152	132.5 Å²	132.5	81%	0.813	78%	0.782	S	S	*	*			trans	-11.4	138.1	172.2	-52.2	-6.6	0	0	0	121.4
796	A	29	Very low	27.7	Very low	104 Å²	104	133.8 Å²	133.8	86%	0.86	79%	0.79	S	S	*	*			trans	-92.3	166.2	136.9	0	0	0	0	0	109.9
797	A	27.6	Very low	27.6	Very low	101 Å²	101	134.9 Å²	134.9	84%	0.835	79%	0.791	S	S	*	*			trans	-134.9	145.7	173.5	0	0	0	0	0	110.7
798	E	29	Very low	27.5	Very low	167 Å²	167	134.8 Å²	134.8	78%	0.78	79%	0.79	S	S	*	*			trans	-83.5	154.8	-170.3	-63.9	-179.2	137.4	0	0	113.7
799	P	30.1	Very low	27.3	Very low	123 Å²	123	135.7 Å²	135.7	80%	0.799	80%	0.796	S	S	*	*			trans	-73.7	148.4	166.3	32.7	-34.7	0	0	0	111.1
800	H	26.6	Very low	27.4	Very low	162 Å²	162	135.4 Å²	135.4	75%	0.75	79%	0.793	S	S	*	*			trans	-129.3	137.3	170.3	-84.7	19.3	0	0	0	110.7
801	V	26.2	Very low	27.2	Very low	137 Å²	137	130.1 Å²	130.1	83%	0.83	79%	0.793	S	S	*	*			trans	-96.6	130.2	176.7	177.6	0	0	0	0	109.2
802	V	24	Very low	27.2	Very low	141 Å²	141	134.2 Å²	134.2	86%	0.855	80%	0.801	S	S	*	*			trans	-135.2	135.3	172.9	-178.8	0	0	0	0	109.3
803	T	23.5	Very low	27	Very low	114 Å²	114	133.4 Å²	133.4	70%	0.699	80%	0.796	S	S	*	*			trans	-115.8	120.2	-166.5	-56.1	0	0	0	0	112.1
804	V	28	Very low	27.1	Very low	120 Å²	120	136.7 Å²	136.7	73%	0.727	81%	0.805	S	S	*	*			trans	53.5	124.5	154.7	179	0	0	0	0	119.3
805	T	23.6	Very low	27	Very low	149 Å²	149	133.4 Å²	133.4	91%	0.914	80%	0.796	S	S	*	*			trans	-150.1	166.7	137.3	-12.2	0	0	0	0	110.5
806	M	28.6	Very low	27.1	Very low	156 Å²	156	132 Å²	132	77%	0.768	79%	0.793	S	S	*	*			trans	-126.5	170.5	-160.6	-107.9	-78.1	-170.4	0	0	113.6
807	N	27.6	Very low	27	Very low	158 Å²	158	133.9 Å²	133.9	85%	0.845	79%	0.789	S	S	*	*			trans	86.3	139.5	171.2	-47.7	-52.2	0	0	0	116.8
808	G	27	Very low	27	Very low	65 Å²	65	133.6 Å²	133.6	67%	0.67	78%	0.781	S	S	*	*			cis	166.5	-168.6	-6.4	0	0	0	0	0	114.2
809	V	26.7	Very low	26.9	Very low	157 Å²	157	134 Å²	134	95%	0.952	78%	0.782	S	S	*	*			trans	75.8	136.3	173.6	-171.6	0	0	0	0	115.8
810	A	26.8	Very low	26.8	Very low	99 Å²	99	132.8 Å²	132.8	82%	0.818	78%	0.782	S	S	*	*			cis	-164.7	149.4	-30.5	0	0	0	0	0	110.3
811	G	25.4	Very low	26.7	Very low	81 Å²	81	128.9 Å²	128.9	84%	0.835	78%	0.778	S	S	*	*			trans	-168.2	146.8	172.6	0	0	0	0	0	110.3
812	R	30	Very low	26.7	Very low	228 Å²	228	128 Å²	128	86%	0.86	77%	0.773	S	S	*	*			trans	-146.9	132.4	-157.6	-155.9	-171.5	-163.8	171.4	3.4	113.3
813	N	24	Very low	26.8	Very low	129 Å²	129	126.7 Å²	126.7	69%	0.69	77%	0.766	S	S	*	*				162.5	134.9	127.7	-79.6	-15.7	0	0	0	114.7
814	H	30.9	Very low	26.9	Very low	162 Å²	162	127.9 Å²	127.9	75%	0.75	76%	0.763	S	S	*	*			trans	23.1	150.1	137.6	-58.3	-77.5	0	0	0	123.2
815	S	25.8	Very low	26.9	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	77%	0.766	S	S	*	*			cis	175.4	168.1	-16.7	54.8	0	0	0	0	112.7
816	V	28.3	Very low	27	Very low	123 Å²	123	128.7 Å²	128.7	75%	0.745	76%	0.757	S	S	*	*			trans	91.5	109.5	154.9	-179.6	0	0	0	0	121.6
817	N	26.4	Very low	26.9	Very low	143 Å²	143	129.4 Å²	129.4	77%	0.765	76%	0.764	S	S	*	*			trans	46.7	119.1	135.3	-70	11.3	0	0	0	127
818	S	29	Very low	26.8	Very low	96 Å²	96	125.7 Å²	125.7	67%	0.671	76%	0.763	S	S	*	*				109.5	145.9	102	72.2	0	0	0	0	125
819	H	27.5	Very low	26.8	Very low	176 Å²	176	128.7 Å²	128.7	82%	0.815	77%	0.769	S	S	*	*			trans	73.6	115.8	150.9	-69.8	-58.2	0	0	0	124.9
820	A	26.3	Very low	27.2	Very low	96 Å²	96	127.5 Å²	127.5	79%	0.793	76%	0.761	S	S	*	*				62.1	154.9	124.1	0	0	0	0	0	121.1
821	A	25.8	Very low	27.8	Very low	80 Å²	80	128.9 Å²	128.9	66%	0.661	76%	0.762	S	S	*	*			cis	-146.2	156.3	-0.6	0	0	0	0	0	109
822	T	24.6	Very low	28.1	Very low	120 Å²	120	130.7 Å²	130.7	74%	0.736	76%	0.761	S	S	*	*				46.2	125.2	84	-22.1	0	0	0	0	113
823	T	26.4	Very low	27.9	Very low	113 Å²	113	123.4 Å²	123.4	69%	0.693	76%	0.758	S	S	*	*				-169.1	151.6	66.7	-53.9	0	0	0	0	115.5	Y825	T823-Y825 HydrophobicContact CG2-CD2 4.46Å
824	Q	27	Very low	28.2	Very low	139 Å²	139	125.5 Å²	125.5	65%	0.65	76%	0.763	S	S	*	*			trans	-48	-174.1	173.9	-56	152.5	-70.2	0	0	121
825	Y	26.8	Very low	27.9	Very low	197 Å²	197	123.4 Å²	123.4	77%	0.773	76%	0.762	S	S	*	*			trans	90.7	147.8	159.2	-60.6	-85.2	0	0	0	118.6	T823	T823-Y825 HydrophobicContact CG2-CD2 4.46Å
826	A	26.9	Very low	27.9	Very low	89 Å²	89	124.8 Å²	124.8	74%	0.736	77%	0.767	S	S	*	*			cis	-170.6	172.9	-26.6	0	0	0	0	0	112.3
827	N	25.8	Very low	27.9	Very low	171 Å²	171	125.5 Å²	125.5	91%	0.914	77%	0.766	S	S	*	*			trans	-73.2	158.3	-177	-61.3	-23.7	0	0	0	115
828	G	25.9	Very low	28.1	Very low	80 Å²	80	125 Å²	125	83%	0.825	76%	0.762	S	S	*	*			trans	-164.7	69.5	-179.2	0	0	0	0	0	117.4
829	T	26.6	Very low	28.4	Very low	128 Å²	128	127 Å²	127	79%	0.785	77%	0.77	S	S	*	*			trans	-25.3	125.1	171.6	-43.1	0	0	0	0	121.3
830	V	34.8	Very low	28.8	Very low	132 Å²	132	122.2 Å²	122.2	80%	0.8	75%	0.753	S	S	*	*				23.8	127.6	126.3	-177.4	0	0	0	0	118.3
831	P	40.3	Very low	29	Very low	127 Å²	127	125.7 Å²	125.7	83%	0.825	75%	0.753	S	S	*	*				-153.4	-177.7	87.9	41.8	-21.3	0	0	0	119.1
832	S	31.5	Very low	29.6	Very low	119 Å²	119	131.1 Å²	131.1	83%	0.832	76%	0.756	S	S	*	*			trans	-96.4	159	-175.8	178.5	0	0	0	0	113.9
833	G	25.3	Very low	29.9	Very low	76 Å²	76	129 Å²	129	78%	0.784	75%	0.751	S	S	*	*			trans	177.8	106.9	172.7	0	0	0	0	0	116
834	Q	30.4	Very low	30.1	Very low	173 Å²	173	131 Å²	131	81%	0.808	75%	0.753	S	S	*	*			trans	-76.2	-168.4	-167.9	-60.6	169.3	-40.7	0	0	117.8
835	T	24.2	Very low	30.2	Very low	118 Å²	118	131.6 Å²	131.6	72%	0.724	76%	0.756	S	S	*	*			trans	97.3	108.6	157.6	74.5	0	0	0	0	117.5
836	T	26.9	Very low	30.2	Very low	125 Å²	125	129.2 Å²	129.2	77%	0.767	75%	0.753	S	S	*	*				90	155.1	95	63.3	0	0	0	0	115
837	N	27.9	Very low	30.3	Very low	137 Å²	137	131.9 Å²	131.9	73%	0.733	75%	0.754	S	S	*	*			cis	-150.7	176.8	7.9	-141	-6.7	0	0	0	116.7
838	I	30	Very low	30.3	Very low	133 Å²	133	130.6 Å²	130.6	68%	0.682	74%	0.743	S	S	*	*			trans	-52.5	146.2	173.9	-64.6	154.3	0	0	0	118.3	T840	I838-T840 HydrophobicContact CG2-CG2 4.19Å
839	V	35.9	Very low	30.5	Very low	138 Å²	138	132 Å²	132	84%	0.836	73%	0.731	S	S	*	*			trans	-161	153.9	138.5	160.3	0	0	0	0	109.8
840	T	36.3	Very low	30.5	Very low	76 Å²	76	134.2 Å²	134.2	47%	0.466	73%	0.733	S	S	.	*				-157.9	151.9	-64.1	55.5	0	0	0	0	108.3	I838	I838-T840 HydrophobicContact CG2-CG2 4.19Å
841	H	30.1	Very low	30.2	Very low	168 Å²	168	136.8 Å²	136.8	78%	0.778	73%	0.734	S	S	*	*	S	Bend	trans	-161.9	114.2	139.8	-123.4	-97	0	0	0	110
842	R	37.1	Very low	29.5	Very low	194 Å²	194	138.2 Å²	138.2	73%	0.732	73%	0.733	S	S	*	*	S	Bend	cis	-165	137.9	-20.3	-122.4	166.4	173.5	158.8	-10.1	105
843	A	31.1	Very low	29.4	Very low	77 Å²	77	135.6 Å²	135.6	64%	0.636	72%	0.724	S	S	*	*			cis	-153.6	162.4	8.5	0	0	0	0	0	112.3
844	Q	32.2	Very low	29.5	Very low	155 Å²	155	140.7 Å²	140.7	72%	0.724	73%	0.728	S	S	*	*			trans	74.1	129	143.1	-154.2	124.4	-15.9	0	0	120.6
845	E	27.3	Very low	29.6	Very low	151 Å²	151	138.7 Å²	138.7	71%	0.706	72%	0.723	S	S	*	*			trans	65.5	150.5	158.2	-75.9	154.6	-139.2	0	0	117.7
846	M	28.3	Very low	29.8	Very low	146 Å²	146	139.5 Å²	139.5	72%	0.719	73%	0.728	S	S	*	*			cis	-164.1	161.7	-17.5	-128.8	171.1	62.2	0	0	110.2
847	L	29.3	Very low	29.9	Very low	145 Å²	145	143.9 Å²	143.9	76%	0.759	73%	0.73	S	S	*	*			trans	66.8	151.1	165.4	-60.7	164.9	0	0	0	116.4
848	Q	26	Very low	30	Very low	144 Å²	144	146 Å²	146	67%	0.673	74%	0.741	S	S	*	*			cis	99.6	134.4	18.7	-176.4	62.8	46.5	0	0	114.5
849	N	29.2	Very low	29.7	Very low	110 Å²	110	145.5 Å²	145.5	59%	0.588	74%	0.739	S	S	*	*			trans	76.1	140.7	-176.1	-49.4	-33.8	0	0	0	114.6
850	Q	27.2	Very low	29.4	Very low	175 Å²	175	146.4 Å²	146.4	82%	0.818	74%	0.738	S	S	*	*			cis	68.3	122.3	39.3	-74.6	-168.2	-28.4	0	0	115.2
851	F	27.6	Very low	28.9	Very low	186 Å²	186	149.3 Å²	149.3	82%	0.816	75%	0.75	S	S	*	*			trans	159.9	99.5	152.2	-90.5	-67	0	0	0	106.3
852	I	26.8	Very low	28.7	Very low	157 Å²	157	146.5 Å²	146.5	81%	0.805	75%	0.75	S	S	*	*				97.1	140.3	73.1	-83	-179.9	0	0	0	112.7
853	G	28.5	Very low	28.1	Very low	64 Å²	64	142.5 Å²	142.5	66%	0.66	75%	0.751	S	S	*	*			trans	119.9	72.5	-178.3	0	0	0	0	0	112.5
854	E	27.6	Very low	28.1	Very low	183 Å²	183	143.9 Å²	143.9	86%	0.855	75%	0.754	S	S	*	*				89.7	118.2	81.8	-77.3	-170.9	161	0	0	114.7
855	D	32.1	Very low	28	Very low	131 Å²	131	142.9 Å²	142.9	70%	0.701	75%	0.753	S	S	*	*			trans	18.9	147.9	150.9	-72	-73.9	0	0	0	122.7
856	T	29.3	Very low	28.2	Very low	135 Å²	135	142.7 Å²	142.7	83%	0.828	75%	0.753	S	S	*	*			cis	-152.2	158.6	48.5	-46.9	0	0	0	0	114.1
857	R	29.2	Very low	28.6	Very low	217 Å²	217	143.8 Å²	143.8	82%	0.819	76%	0.756	S	S	*	*			trans	-73.8	151.3	-178.8	-46.9	158	86.1	103.6	-4	112.9
858	L	30	Very low	28.7	Very low	182 Å²	182	144.9 Å²	144.9	95%	0.953	76%	0.757	S	S	*	*				-153.7	153	129	-108.8	174.9	0	0	0	109.8
859	N	23.7	Very low	28.9	Very low	122 Å²	122	142.9 Å²	142.9	65%	0.652	76%	0.756	S	S	*	*			trans	-127.3	112.3	-160.8	-177.7	63.7	0	0	0	112.1	N861	N859-N861 PolarHBondContact ND2-OD1 3.31Å; N859-N861 PolarHBondContact O-N 2.77Å
860	I	28.7	Very low	28.8	Very low	157 Å²	157	146 Å²	146	81%	0.805	77%	0.772	S	S	*	*			trans	-94.5	92.1	-179.9	-55.4	179.1	0	0	0	109.6	S862	I860-S862 PolarHBondContact O-N 3.46Å
861	N	25	Very low	28.9	Very low	136 Å²	136	146.1 Å²	146.1	73%	0.727	78%	0.778	S	S	*	*			trans	-69.3	115.4	168.3	-77.3	-2.6	0	0	0	109.5	N859	N859-N861 PolarHBondContact ND2-OD1 3.31Å; N859-N861 PolarHBondContact O-N 2.77Å
862	S	26.1	Very low	28.8	Very low	110 Å²	110	148.2 Å²	148.2	77%	0.769	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-81.7	116.1	165.4	-62	0	0	0	0	108.9	I860	I860-S862 PolarHBondContact O-N 3.46Å
863	S	25.7	Very low	28.9	Very low	109 Å²	109	152 Å²	152	76%	0.762	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-81.4	131.5	174.5	-160.8	0	0	0	0	110.3
864	P	30.8	Very low	28.9	Very low	107 Å²	107	157.3 Å²	157.3	70%	0.695	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-74.5	161.2	158.3	35.3	-33.8	0	0	0	110
865	D	29.7	Very low	28.7	Very low	133 Å²	133	157.6 Å²	157.6	71%	0.711	79%	0.793	S	S	*	*			trans	-166.7	133.8	143.3	-99.6	-26.9	0	0	0	108.6
866	E	32.3	Very low	28.4	Very low	148 Å²	148	160 Å²	160	69%	0.692	80%	0.8	S	S	*	*			trans	-137.5	158.9	172.9	-66.1	-168.4	119.5	0	0	108.7
867	H	36.3	Very low	28.1	Very low	169 Å²	169	160.8 Å²	160.8	78%	0.782	80%	0.804	S	S	*	*			trans	74.9	151.2	171.6	-53.6	-63.7	0	0	0	117.2
868	E	31.2	Very low	28	Very low	168 Å²	168	153.2 Å²	153.2	79%	0.785	79%	0.793	S	S	*	*			cis	-144.9	167.9	-7.2	-124	-140.2	135.2	0	0	110.4
869	P	29.6	Very low	27.9	Very low	102 Å²	102	153.1 Å²	153.1	66%	0.662	79%	0.788	S	S	*	*			trans	-93.5	137.9	-175	35.6	-31.6	0	0	0	114
870	L	26.7	Very low	28	Very low	174 Å²	174	153.8 Å²	153.8	91%	0.911	79%	0.791	S	S	*	*			trans	-93.8	107.8	164.2	-67.8	178.3	0	0	0	110.6
871	L	30.4	Very low	27.9	Very low	179 Å²	179	154.9 Å²	154.9	94%	0.937	79%	0.793	S	S	*	*			trans	174.2	97.3	141.8	-97.9	173.9	0	0	0	109.9
872	R	26.1	Very low	28	Very low	230 Å²	230	151.5 Å²	151.5	87%	0.868	79%	0.791	S	S	*	*			trans	-146.3	127.1	163.6	-167.4	172.2	-173	172.3	2.1	111.1
873	R	27.4	Very low	28.2	Very low	235 Å²	235	152.7 Å²	152.7	89%	0.887	79%	0.793	S	S	*	*			trans	-107	151.6	160.7	-163.2	170.5	-172.5	131.8	5.3	108.7
874	E	28.3	Very low	28.3	Very low	177 Å²	177	154.1 Å²	154.1	83%	0.827	79%	0.791	S	S	*	*			trans	-77.3	144	-166.3	-59.7	151.8	106.9	0	0	113.9
875	Q	25	Very low	28.1	Very low	188 Å²	188	154.1 Å²	154.1	88%	0.879	79%	0.785	S	S	*	*			trans	-152	137.5	139.3	-141.8	169.6	12.6	0	0	109.1
876	Q	24.2	Very low	28.2	Very low	183 Å²	183	157 Å²	157	86%	0.855	79%	0.786	S	S	*	*			trans	-148.3	107.2	-167.3	-174.3	-177.1	22.1	0	0	112.4
877	V	24.4	Very low	27.9	Very low	151 Å²	151	156.6 Å²	156.6	92%	0.915	79%	0.788	S	S	*	*			trans	-155.6	140.1	162.5	-171.5	0	0	0	0	105.9
878	G	25.8	Very low	27.5	Very low	57 Å²	57	154 Å²	154	59%	0.588	78%	0.784	S	S	*	*			cis	153.4	130.3	-7.1	0	0	0	0	0	111
879	H	28	Very low	27.3	Very low	180 Å²	180	151.6 Å²	151.6	83%	0.833	78%	0.776	S	S	*	*			trans	66.7	157	175.3	-74.7	-90	0	0	0	116.9
880	D	25.3	Very low	27.1	Very low	136 Å²	136	155.4 Å²	155.4	73%	0.727	78%	0.777	S	S	*	*			cis	-146.2	178.5	9.2	-131.9	-18.2	0	0	0	115.2
881	E	26.9	Very low	27.2	Very low	181 Å²	181	156.3 Å²	156.3	85%	0.846	77%	0.769	S	S	*	*			trans	-68.6	168.7	179.1	-56.6	-171	136	0	0	114.8
882	G	28	Very low	27	Very low	65 Å²	65	154.3 Å²	154.3	67%	0.67	76%	0.759	S	S	*	*			cis	151.5	-177.7	-2.2	0	0	0	0	0	111.9
883	V	29.3	Very low	27.1	Very low	134 Å²	134	154.7 Å²	154.7	81%	0.812	76%	0.76	S	S	*	*			trans	68.3	140.2	154.4	175.5	0	0	0	0	117
884	L	29	Very low	28	Very low	140 Å²	140	148.2 Å²	148.2	73%	0.733	75%	0.749	S	S	*	*			cis	-152.1	128.9	1.1	-156.7	50.8	0	0	0	106.9
885	D	27.2	Very low	28.1	Very low	107 Å²	107	146.8 Å²	146.8	57%	0.572	75%	0.746	S	S	*	*				55.6	142.1	88.5	-163.9	20.2	0	0	0	117.7
886	R	30.3	Very low	28.2	Very low	194 Å²	194	146.1 Å²	146.1	73%	0.732	74%	0.743	S	S	*	*			trans	81.3	143.3	165	-51.4	-161.4	-176.1	155	18.5	119.4
887	L	26.9	Very low	28.4	Very low	139 Å²	139	141.3 Å²	141.3	73%	0.728	74%	0.743	S	S	*	*			cis	-159.5	144.7	-10.5	-106.3	165.6	0	0	0	110.2
888	V	27.6	Very low	28.5	Very low	115 Å²	115	137.4 Å²	137.4	70%	0.697	73%	0.733	S	S	*	*				19.5	135.6	125.4	173.8	0	0	0	0	117.5
889	D	26.1	Very low	28.8	Very low	117 Å²	117	146.4 Å²	146.4	63%	0.626	75%	0.749	S	S	*	*			cis	-159.4	173.3	40.3	-152.7	-0.4	0	0	0	115.9
890	R	26.6	Very low	28.9	Very low	181 Å²	181	143.3 Å²	143.3	68%	0.683	74%	0.743	S	S	*	*			trans	66.7	102	143	-90.4	167.3	-153.4	-156.6	-1.8	123.6
891	R	28.5	Very low	29	Very low	193 Å²	193	143.6 Å²	143.6	73%	0.728	75%	0.745	S	S	*	*				91.4	133.7	104.9	-92.7	-173.3	-173.9	175.9	-0.5	122.6
892	D	25.8	Very low	29.4	Very low	137 Å²	137	139 Å²	139	73%	0.733	73%	0.733	S	S	*	*			trans	83.6	139.7	143.4	-57.8	-23.4	0	0	0	121.2
893	R	28.7	Very low	29.6	Very low	238 Å²	238	142.9 Å²	142.9	90%	0.898	74%	0.738	S	S	*	*			trans	-96.1	-160.9	-178	-54.2	176.6	166.3	-172	-4.1	108.1
894	P	46.4	Very low	29.9	Very low	100 Å²	100	143.3 Å²	143.3	65%	0.649	74%	0.736	S	S	*	*			cis	-143.3	173.5	-4.5	41.5	-22.6	0	0	0	117.6
895	L	30.1	Very low	30.2	Very low	147 Å²	147	143.1 Å²	143.1	77%	0.77	74%	0.735	S	S	*	*			trans	65.5	161.2	152.7	-68.8	157.6	0	0	0	116.4
896	E	27.9	Very low	30.5	Very low	174 Å²	174	145.3 Å²	145.3	81%	0.813	75%	0.747	S	S	*	*			cis	-151.9	153.3	-7.8	-148.4	162.8	-152.2	0	0	111.4
897	G	28	Very low	30.9	Very low	82 Å²	82	140 Å²	140	85%	0.845	74%	0.74	S	S	*	*			trans	71.8	151.7	159.2	0	0	0	0	0	118.7
898	G	26.7	Very low	31.1	Very low	69 Å²	69	140.7 Å²	140.7	71%	0.711	75%	0.745	S	S	*	*			cis	151.1	125.4	-14	0	0	0	0	0	114.4
899	R	30.8	Very low	32.2	Very low	245 Å²	245	140.6 Å²	140.6	93%	0.925	75%	0.746	S	S	*	*			trans	68.8	156	170.7	-61.3	177.8	170.2	157.4	-3.1	114.7
900	T	30.1	Very low	32.2	Very low	116 Å²	116	140.6 Å²	140.6	71%	0.712	75%	0.754	S	S	*	*			cis	-154.2	149.9	1.1	-6.5	0	0	0	0	112.6
901	N	29.2	Very low	32.3	Very low	141 Å²	141	136.6 Å²	136.6	75%	0.754	75%	0.754	S	S	*	*			trans	39.4	119	140	-79	25.9	0	0	0	123.8
902	S	34.1	Very low	32.3	Very low	85 Å²	85	135.3 Å²	135.3	59%	0.594	76%	0.756	S	S	*	*				93.7	132.3	111.5	-65.6	0	0	0	0	122.8
903	N	33.5	Very low	32.5	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	76%	0.756	S	S	*	*			trans	75.2	152	150.8	-56.9	-3.1	0	0	0	116.9
904	N	34.1	Very low	32.4	Very low	142 Å²	142	131 Å²	131	76%	0.759	75%	0.746	S	S	*	*			cis	-144.2	173.2	4.6	-146.1	-9.4	0	0	0	113.5
905	N	36.1	Very low	31.5	Very low	136 Å²	136	131.5 Å²	131.5	73%	0.727	75%	0.747	S	S	*	*			trans	-76.6	169.5	-176.1	-70.2	-27.5	0	0	0	115.9
906	N	33.8	Very low	31.4	Very low	153 Å²	153	131.8 Å²	131.8	82%	0.818	75%	0.748	S	S	*	*			trans	109.1	145	153	-61.8	-10.9	0	0	0	116.7
907	S	37.8	Very low	31.4	Very low	84 Å²	84	128.3 Å²	128.3	59%	0.587	74%	0.739	S	S	*	*			cis	165.2	148.1	-40.4	49.8	0	0	0	0	109.6
908	N	32	Very low	31.4	Very low	153 Å²	153	132.8 Å²	132.8	82%	0.818	74%	0.738	S	S	*	*			trans	69	160.2	162.9	-71.6	-1.1	0	0	0	118.5
909	P	51	Low	31.4	Very low	113 Å²	113	135.7 Å²	135.7	73%	0.734	74%	0.741	S	S	*	*			cis	-138.9	-171.2	-27.5	36.3	-16.1	0	0	0	115.3
910	C	25.5	Very low	31.3	Very low	117 Å²	117	130.1 Å²	130.1	79%	0.791	73%	0.734	S	S	*	*			trans	-11.7	159.7	148.4	-65.5	0	0	0	0	120.5
911	S	28.6	Very low	32.2	Very low	97 Å²	97	129.9 Å²	129.9	68%	0.678	74%	0.735	S	S	*	*			cis	-170.9	176.3	3	37.5	0	0	0	0	113.4
912	E	28.6	Very low	32.3	Very low	166 Å²	166	128 Å²	128	78%	0.776	73%	0.733	S	S	*	*			trans	81.9	124.4	149.7	-81.7	168	173	0	0	124.1
913	Q	29.4	Very low	32.1	Very low	157 Å²	157	130 Å²	130	73%	0.734	74%	0.742	S	S	*	*			trans	65.1	126.4	133.6	-73.6	-176.2	-35	0	0	126.1
914	D	27.8	Very low	32	Very low	128 Å²	128	129.6 Å²	129.6	68%	0.684	74%	0.744	S	S	*	*				87.8	109.1	124.7	-71.7	15.9	0	0	0	126.5
915	V	26.7	Very low	31.6	Very low	110 Å²	110	127 Å²	127	67%	0.667	74%	0.743	S	S	*	*				88.1	136.3	114.2	171.8	0	0	0	0	122.8
916	L	27.5	Very low	31.3	Very low	153 Å²	153	127.5 Å²	127.5	80%	0.801	75%	0.745	S	S	*	*			trans	70.7	146.5	160.1	-81.1	168.1	0	0	0	119.3
917	T	28.2	Very low	31.9	Very low	100 Å²	100	125.9 Å²	125.9	61%	0.613	74%	0.743	S	S	*	*			cis	-156	159.1	-2.7	-28	0	0	0	0	113.7
918	Q	28.6	Very low	31.3	Very low	176 Å²	176	124.7 Å²	124.7	82%	0.822	74%	0.744	S	S	*	*			trans	62.6	131	142.9	-98.7	166.2	21.7	0	0	123.8
919	V	26.1	Very low	31.8	Very low	130 Å²	130	123 Å²	123	79%	0.788	74%	0.741	S	S	*	*				-170.4	149.2	96.7	151.9	0	0	0	0	109.9
920	V	28.8	Very low	30.7	Very low	128 Å²	128	123 Å²	123	78%	0.776	74%	0.744	S	S	*	*			trans	-147.9	146.6	178.6	-161.2	0	0	0	0	110
921	P	47.9	Very low	31.4	Very low	111 Å²	111	127.1 Å²	127.1	72%	0.721	75%	0.748	S	S	*	*				-143.8	126.7	118.2	32.9	-16.3	0	0	0	112.9
922	S	32.4	Very low	31.7	Very low	103 Å²	103	128 Å²	128	72%	0.72	75%	0.752	S	S	*	*				78.1	150.2	88.9	90.3	0	0	0	0	113.8
923	T	29.5	Very low	31.5	Very low	126 Å²	126	131.2 Å²	131.2	77%	0.773	76%	0.757	S	S	*	*			cis	-142.7	177.9	6.7	72.5	0	0	0	0	107.1
924	V	31.2	Very low	31.3	Very low	138 Å²	138	135.3 Å²	135.3	84%	0.836	77%	0.766	S	S	*	*			cis	-163.3	164.6	-8.4	109.5	0	0	0	0	104.8
925	A	26.8	Very low	31.1	Very low	88 Å²	88	133.3 Å²	133.3	73%	0.727	77%	0.766	S	S	*	*			cis	-157.4	-151.3	45.4	0	0	0	0	0	112.6
926	D	29.9	Very low	31.2	Very low	147 Å²	147	137.2 Å²	137.2	79%	0.786	78%	0.778	S	S	*	*			trans	-152.3	-174.7	174.7	-150.5	7.8	0	0	0	107.4
927	P	46.3	Very low	31.4	Very low	119 Å²	119	141.2 Å²	141.2	77%	0.773	78%	0.782	S	S	*	*			cis	-135.1	162.9	38.3	38.5	-18.3	0	0	0	118
928	G	25.1	Very low	32.1	Very low	58 Å²	58	141.4 Å²	141.4	60%	0.598	79%	0.785	S	S	*	*			trans	-77.6	-149.4	164.5	0	0	0	0	0	114.9
929	P	42.7	Very low	32.1	Very low	118 Å²	118	139.9 Å²	139.9	77%	0.766	78%	0.782	S	S	*	*			cis	-146.5	-177.7	18.2	44.3	-24.8	0	0	0	118.4
930	S	27.7	Very low	32.1	Very low	114 Å²	114	137.7 Å²	137.7	80%	0.797	77%	0.773	S	S	*	*			trans	78.8	144.2	145.7	76.5	0	0	0	0	123.1
931	K	38.5	Very low	32	Very low	202 Å²	202	138.8 Å²	138.8	88%	0.878	77%	0.774	S	S	*	*			trans	-101.4	155.2	158.7	-65.7	174.4	179.4	174	0	106.7
932	P	35.4	Very low	30.9	Very low	115 Å²	115	140.5 Å²	140.5	75%	0.747	78%	0.777	S	S	*	*				-159.9	-175.1	52	44.1	-21.7	0	0	0	119.3
933	R	24.5	Very low	30.6	Very low	235 Å²	235	142.1 Å²	142.1	89%	0.887	78%	0.777	S	S	*	*			trans	53.8	112.1	146.5	-79.9	177.6	172.7	173.9	-1.5	122.7
934	R	25.4	Very low	30.4	Very low	243 Å²	243	141 Å²	141	92%	0.917	77%	0.774	S	S	*	*				85.2	146.9	117.4	-162.9	-179	-173.6	179.5	4.4	121
935	A	24.2	Very low	30.1	Very low	85 Å²	85	138.6 Å²	138.6	70%	0.702	77%	0.769	S	S	*	*			trans	90.2	151.5	160	0	0	0	0	0	115.9
936	Q	27.8	Very low	30	Very low	193 Å²	193	139.8 Å²	139.8	90%	0.902	77%	0.767	S	S	*	*			cis	-137.4	152.4	16.4	-116.7	168.1	10.8	0	0	114
937	R	32.9	Very low	29.8	Very low	237 Å²	237	139.7 Å²	139.7	89%	0.894	77%	0.767	S	S	*	*			trans	-87.3	167.6	153	-100.5	-176.1	-176.4	177.8	0.4	107.7
938	P	42.8	Very low	28.9	Very low	104 Å²	104	139.2 Å²	139.2	68%	0.675	76%	0.761	S	S	*	*			cis	-139.3	-174.5	37.3	39.9	-17.5	0	0	0	113.8
939	N	27.3	Very low	29.1	Very low	143 Å²	143	143.1 Å²	143.1	77%	0.765	77%	0.768	S	S	*	*				-172.3	171.1	54.8	-98.7	-26.8	0	0	0	107.6
940	S	27.4	Very low	28.3	Very low	84 Å²	84	144.4 Å²	144.4	59%	0.587	77%	0.768	S	S	*	*			cis	179.1	156.1	-24.4	55.3	0	0	0	0	107.8
941	L	26.6	Very low	28.2	Very low	152 Å²	152	141.6 Å²	141.6	80%	0.796	76%	0.757	S	S	*	*			trans	70.6	123.1	179.3	-54.2	163.3	0	0	0	113.7
942	D	24.5	Very low	27.6	Very low	146 Å²	146	137.5 Å²	137.5	78%	0.781	75%	0.753	S	S	*	*			cis	74.7	151.3	2.9	-146.5	1.4	0	0	0	117.8
943	L	26	Very low	27	Very low	138 Å²	138	136.3 Å²	136.3	72%	0.723	75%	0.748	S	S	*	*			trans	70	124.9	-168.4	-48.3	176.9	0	0	0	114.2
944	S	24.9	Very low	27.2	Very low	101 Å²	101	131.9 Å²	131.9	71%	0.706	74%	0.74	S	S	*	*			cis	86.7	104.2	26.5	89.9	0	0	0	0	116.2
945	A	25.8	Very low	27.3	Very low	89 Å²	89	126.6 Å²	126.6	74%	0.736	73%	0.726	S	S	*	*			trans	-160.9	128.6	149.6	0	0	0	0	0	106.6
946	T	24.8	Very low	27.6	Very low	112 Å²	112	127.1 Å²	127.1	69%	0.687	72%	0.716	S	S	*	*			cis	70.2	139.1	43.7	75.8	0	0	0	0	115.1
947	N	25.6	Very low	27.6	Very low	146 Å²	146	120.7 Å²	120.7	78%	0.781	70%	0.702	S	S	*	*			trans	101.3	140.2	149.8	-63.6	-19	0	0	0	117
948	V	27.3	Very low	27.5	Very low	108 Å²	108	113.3 Å²	113.3	66%	0.655	68%	0.678	S	S	*	*			cis	-168.1	149.3	4	102.2	0	0	0	0	113.7
949	L	28.8	Very low	26.8	Very low	141 Å²	141	111.2 Å²	111.2	74%	0.738	67%	0.665	S	S	*	*			trans	55.8	161.1	153.6	-58	175.5	0	0	0	120.3
950	D	27.1	Very low	26.9	Very low	145 Å²	145	108.2 Å²	108.2	78%	0.775	65%	0.652	S	S	*	*			cis	-151.3	171	-4	-136.2	-36.4	0	0	0	112.5
951	G	25.2	Very low	27.1	Very low	54 Å²	54	107.9 Å²	107.9	56%	0.557	64%	0.642	S	S	*	*			trans	120.5	105.8	147.8	0	0	0	0	0	118.7
952	S	25.7	Very low	27.2	Very low	116 Å²	116	105.5 Å²	105.5	81%	0.811	63%	0.629	S	S	*	*				18.6	142.7	128.3	54.5	0	0	0	0	120.6
953	S	23.2	Very low	27.3	Very low	90 Å²	90	100.9 Å²	100.9	63%	0.629	62%	0.616	S	S	*	*			cis	170.7	166.6	2.7	48.1	0	0	0	0	110.2
954	I	28.2	Very low	27.3	Very low	142 Å²	142	103 Å²	103	73%	0.728	62%	0.62	S	S	*	*			trans	70.1	142	147.9	-82.7	163.2	0	0	0	115.4
955	Q	26.9	Very low	27.3	Very low	132 Å²	132	104.6 Å²	104.6	62%	0.617	63%	0.631	S	S	*	*			cis	-155.9	143.1	1.8	-116.4	164.2	-6.1	0	0	112.2	Y40	Y40-Q955 WeakPolarHBondContact OH-CG 3.48Å; Y40-Q955 PolarHBondContact OH-NE2 3.11Å; Y40-Q955 PolarHBondContact OH-OE1 2.78Å
956	I	30	Very low	27.2	Very low	96 Å²	96	103.7 Å²	103.7	49%	0.492	63%	0.63	S	S	.	*				24.9	146.4	126.8	-42.2	172	0	0	0	122.1	Y40	Y40-I956 HydrophobicContact CD2-CB 4.48Å; Y40-I956 HydrophobicContact CD2-CG2 3.76Å; Y40-I956 HydrophobicContact CE2-CB 3.62Å; Y40-I956 HydrophobicContact CE2-CD1 3.97Å; Y40-I956 HydrophobicContact CE2-CG1 4.39Å; Y40-I956 HydrophobicContact CE2-CG2 3.31Å
957	G	28.9	Very low	27.3	Very low	59 Å²	59	104.9 Å²	104.9	61%	0.608	64%	0.643	S	S	*	*			trans	147	114.5	160.6	0	0	0	0	0	112.4
958	E	30.4	Very low	27.5	Very low	82 Å²	82	101.3 Å²	101.3	38%	0.383	64%	0.641	S	S	.	*			cis	69.8	140.1	20.4	-69.8	-169.7	161.9	0	0	116.3	K81	K81-E958 VanDerWaalsContact CD-OE1 3.23Å; K81-E958 WeakPolarHBondContact CD-OE1 3.06Å; K81-E958 WeakPolarHBondContact CD-OE2 3.38Å; K81-E958 IonicContact NZ-OE2 2.72Å; K81-E958 PolarHBondContact NZ-OE2 2.98Å
959	S	28.7	Very low	27.5	Very low	60 Å²	60	104 Å²	104	42%	0.42	65%	0.646	S	S	.	*			cis	-170.6	162.7	-6.8	50.3	0	0	0	0	114.7	D38 K81	D38-S959 PolarHBondContact OD2-OG 3.33Å; K81-S959 WeakPolarHBondContact CE-OG 3.25Å; K81-S959 PolarHBondContact NZ-OG 3Å
960	T	28.9	Very low	27.7	Very low	79 Å²	79	107.4 Å²	107.4	49%	0.485	66%	0.655	S	S	.	*			trans	37.9	137.9	143.1	57	0	0	0	0	125
961	Q	31.9	Very low	27.9	Very low	78 Å²	78	106.8 Å²	106.8	36%	0.364	65%	0.651	S	S	.	*			trans	68.8	161	139.8	-81.5	164.4	13.5	0	0	118.4	C84 S86	C84-Q961 PolarHBondContact O-NE2 3Å; S86-Q961 PolarHBondContact OG-NE2 3.05Å
962	D	28.3	Very low	28	Very low	101 Å²	101	113 Å²	113	54%	0.54	66%	0.662	S	S	.	*			cis	-150.1	178.9	-8	-150.7	-14.6	0	0	0	111.3
963	G	27.2	Very low	28.1	Very low	49 Å²	49	118 Å²	118	51%	0.505	67%	0.669	S	S	.	*			trans	94.8	99.8	130.5	0	0	0	0	0	122.3
964	K	25.3	Very low	28.4	Very low	184 Å²	184	124 Å²	124	80%	0.8	68%	0.678	S	S	*	*			trans	46.2	120	142.9	-67.1	178.1	178.8	172.1	0	121.5
965	S	24.9	Very low	28.4	Very low	133 Å²	133	122.8 Å²	122.8	93%	0.93	68%	0.677	S	S	*	*				-161.8	169.1	115.3	-87.4	0	0	0	0	111.4
966	G	24.5	Very low	28.5	Very low	70 Å²	70	126 Å²	126	72%	0.722	69%	0.689	S	S	*	*			trans	-112.2	-160.1	-167.8	0	0	0	0	0	116.1
967	S	26.4	Very low	28.5	Very low	137 Å²	137	125.9 Å²	125.9	96%	0.958	69%	0.693	S	S	*	*			trans	69.1	157	-164.3	-155.6	0	0	0	0	113.6
968	G	29.2	Very low	28.8	Very low	72 Å²	72	128.7 Å²	128.7	74%	0.742	70%	0.7	S	S	*	*			trans	-151.1	138.2	-170.5	0	0	0	0	0	114.7
969	E	28.9	Very low	28.7	Very low	164 Å²	164	134.6 Å²	134.6	77%	0.766	72%	0.72	S	S	*	*			trans	-118.1	135.8	171.5	-70.9	-159.6	109.9	0	0	111.8	I971	E969-I971 HydrophobicContact CB-CG1 4.17Å; E969-I971 PolarHBondContact O-N 3.04Å; E969-I971 VanDerWaalsContact O-N 3.16Å
970	K	31.7	Very low	28.7	Very low	212 Å²	212	135.8 Å²	135.8	92%	0.922	73%	0.729	S	S	*	*			trans	-85.8	70.5	172.2	-73.8	-177.9	176.8	175.3	0	111.2	K972	K970-K972 PolarHBondContact O-N 3.13Å
971	I	30.9	Very low	28.8	Very low	133 Å²	133	140.4 Å²	140.4	68%	0.682	75%	0.75	S	S	*	*			trans	-88.1	98.6	172.8	-59.4	-176.4	0	0	0	110.7	E969 K973	E969-I971 HydrophobicContact CB-CG1 4.17Å; E969-I971 PolarHBondContact O-N 3.04Å; E969-I971 VanDerWaalsContact O-N 3.16Å; I971-K973 PolarHBondContact O-N 2.78Å
972	K	28.1	Very low	28.6	Very low	184 Å²	184	145.7 Å²	145.7	80%	0.8	77%	0.771	S	S	*	*			trans	-2.2	112.5	155.9	-62.2	157.4	-176.3	165.7	0	114.8	K970 R974	K970-K972 PolarHBondContact O-N 3.13Å; K972-R974 PolarHBondContact O-N 3.07Å
973	K	27.6	Very low	28.5	Very low	220 Å²	220	152.2 Å²	152.2	96%	0.957	79%	0.788	S	S	*	*			trans	-62.5	90.4	153.1	-92.3	-168.6	174.4	-176.7	0	108	I971 V975	I971-K973 PolarHBondContact O-N 2.78Å; K973-V975 PolarHBondContact O-N 3.23Å
974	R	29.6	Very low	28.5	Very low	218 Å²	218	161.3 Å²	161.3	82%	0.823	81%	0.808	S	S	*	*			trans	-62.9	122.6	173.9	-175.9	-169.9	-69.9	-134.2	4.6	107.7	K972 K976	K972-R974 PolarHBondContact O-N 3.07Å; R974-K976 PolarHBondContact O-N 3.32Å; R974-K976 VanDerWaalsContact O-N 3.08Å
975	V	28.8	Very low	28.6	Very low	116 Å²	116	163.6 Å²	163.6	70%	0.703	81%	0.811	S	S	*	*			trans	-53.3	117	163.9	177.9	0	0	0	0	106.9	K973 T977	K973-V975 PolarHBondContact O-N 3.23Å; V975-T977 HydrophobicContact CG1-CG2 4.08Å; V975-T977 PolarHBondContact O-N 3.02Å
976	K	28.8	Very low	28.8	Very low	199 Å²	199	162.7 Å²	162.7	87%	0.865	80%	0.802	S	S	*	*			trans	-81.8	69.4	-176.6	-139.3	-174.8	-174.5	-170.3	0	109	R974 P978	R974-K976 PolarHBondContact O-N 3.32Å; R974-K976 VanDerWaalsContact O-N 3.08Å; K976-P978 VanDerWaalsContact O-CD 3.26Å; K976-P978 WeakPolarHBondContact O-CD 3.31Å
977	T	30.5	Very low	28.9	Very low	94 Å²	94	165.3 Å²	165.3	58%	0.577	81%	0.81	S	S	*	*			trans	-60.8	118	165.7	49.4	0	0	0	0	108.9	V975 Y979	V975-T977 HydrophobicContact CG1-CG2 4.08Å; V975-T977 PolarHBondContact O-N 3.02Å; T977-Y979 PolarHBondContact O-N 2.97Å; T977-Y979 VanDerWaalsContact O-N 3.16Å
978	P	33.8	Very low	29.1	Very low	117 Å²	117	163.9 Å²	163.9	76%	0.76	80%	0.795	S	S	*	*			trans	-86.2	45.7	171.4	37.4	-33.2	0	0	0	111	K976 S980	K976-P978 VanDerWaalsContact O-CD 3.26Å; K976-P978 WeakPolarHBondContact O-CD 3.31Å; P978-S980 PolarHBondContact O-N 3.28Å
979	Y	28.1	Very low	29.1	Very low	206 Å²	206	170.6 Å²	170.6	81%	0.808	80%	0.798	S	S	*	*			trans	-73.3	67.1	158.1	-88.8	-68.3	0	0	0	108.6	T977 L981	T977-Y979 PolarHBondContact O-N 2.97Å; T977-Y979 VanDerWaalsContact O-N 3.16Å; Y979-L981 PolarHBondContact O-N 3.05Å
980	S	30	Very low	28.9	Very low	86 Å²	86	169.8 Å²	169.8	60%	0.601	80%	0.804	S	S	*	*			trans	-80.7	106.1	165.8	42.7	0	0	0	0	107.9	P978 K982	P978-S980 PolarHBondContact O-N 3.28Å; S980-K982 VanDerWaalsContact C-N 3.29Å; S980-K982 PolarHBondContact O-N 3.46Å
981	L	30.4	Very low	28.6	Very low	176 Å²	176	165.8 Å²	165.8	92%	0.921	79%	0.791	S	S	*	*			trans	-57.4	91.8	168.3	-78.5	161.1	0	0	0	109.6	Y979 R983	Y979-L981 PolarHBondContact O-N 3.05Å; L981-R983 PolarHBondContact O-N 3.25Å
982	K	27.4	Very low	28.4	Very low	188 Å²	188	164.6 Å²	164.6	82%	0.817	80%	0.795	S	S	*	*			trans	-69.8	85.2	171.1	-89.9	-174	176.1	175.3	0	108.7	S980 W984	S980-K982 VanDerWaalsContact C-N 3.29Å; S980-K982 PolarHBondContact O-N 3.46Å; K982-W984 PolarHBondContact O-N 3.08Å
983	R	27.1	Very low	28.4	Very low	238 Å²	238	161.7 Å²	161.7	90%	0.898	79%	0.793	S	S	*	*			trans	-61	108.2	167	-169.8	179	-166.9	175.4	5	108	L981 R985	L981-R983 PolarHBondContact O-N 3.25Å; R983-R985 PolarHBondContact O-N 3Å
984	W	27	Very low	28.4	Very low	241 Å²	241	159.4 Å²	159.4	91%	0.913	79%	0.786	S	S	*	*			trans	-52.7	136.2	-178.3	-77.5	73.8	0	0	0	111.9	K982	K982-W984 PolarHBondContact O-N 3.08Å
985	R	27.4	Very low	28.2	Very low	232 Å²	232	154.6 Å²	154.6	88%	0.875	79%	0.786	S	S	*	*			trans	-133.8	135.3	153.5	-76.7	-163.7	177.4	-140.3	3.7	107.6	R983	R983-R985 PolarHBondContact O-N 3Å
986	P	28.6	Very low	28.1	Very low	113 Å²	113	154.8 Å²	154.8	73%	0.734	78%	0.782	S	S	*	*			trans	-72.1	138.7	178.3	30.1	-34.3	0	0	0	110.8
987	S	27.8	Very low	27.9	Very low	126 Å²	126	151.6 Å²	151.6	88%	0.881	77%	0.774	S	S	*	*			trans	-91.8	95.8	170.8	53.7	0	0	0	0	110
988	T	30.3	Very low	27.7	Very low	107 Å²	107	152 Å²	152	66%	0.656	78%	0.779	S	S	*	*			trans	-85.8	133.7	178.5	42.7	0	0	0	0	112.8
989	W	28.2	Very low	27.3	Very low	213 Å²	213	154.4 Å²	154.4	81%	0.807	78%	0.781	S	S	*	*			trans	39.4	114.9	147.7	-59.6	101.8	0	0	0	119.7	I991	W989-I991 HydrophobicContact CE3-CD1 3.76Å; W989-I991 HydrophobicContact CE3-CG1 3.94Å; W989-I991 HydrophobicContact CZ3-CD1 4.14Å
990	V	25	Very low	27.3	Very low	146 Å²	146	149.4 Å²	149.4	89%	0.885	77%	0.771	S	S	*	*			trans	-109.3	117	149.8	177.7	0	0	0	0	107.5
991	I	24.4	Very low	27.1	Very low	128 Å²	128	151.8 Å²	151.8	66%	0.656	78%	0.777	S	S	*	*			trans	-118.8	138.1	171.9	-66.8	178.7	0	0	0	107.8	W989	W989-I991 HydrophobicContact CE3-CD1 3.76Å; W989-I991 HydrophobicContact CE3-CG1 3.94Å; W989-I991 HydrophobicContact CZ3-CD1 4.14Å
992	S	28.6	Very low	27	Very low	109 Å²	109	149.7 Å²	149.7	76%	0.762	77%	0.767	S	S	*	*			trans	-88.6	135.9	178	-57.2	0	0	0	0	112.4
993	T	26.2	Very low	27	Very low	123 Å²	123	148.3 Å²	148.3	76%	0.755	77%	0.769	S	S	*	*			trans	-139.9	104.1	155.7	53.3	0	0	0	0	106.1
994	E	27.6	Very low	26.9	Very low	172 Å²	172	140 Å²	140	80%	0.804	76%	0.757	S	S	*	*				75.4	134.4	81.6	-84.1	-158.5	154	0	0	115.1
995	S	25.6	Very low	26.9	Very low	117 Å²	117	133.8 Å²	133.8	82%	0.818	75%	0.75	S	S	*	*			trans	-154.3	126.9	150	62.1	0	0	0	0	109.4
996	L	26.5	Very low	26.9	Very low	120 Å²	120	129 Å²	129	63%	0.628	74%	0.742	S	S	*	*			trans	-70.9	177	175.1	-73.1	67.2	0	0	0	110
997	D	26.5	Very low	26.9	Very low	132 Å²	132	134.9 Å²	134.9	71%	0.706	75%	0.75	S	S	*	*			cis	-155.7	150.5	40.1	-95.9	-54.9	0	0	0	110.1
998	C	24.8	Very low	27	Very low	101 Å²	101	132.9 Å²	132.9	68%	0.682	74%	0.74	S	S	*	*				60.3	140.2	74	-49.5	0	0	0	0	113.8
999	E	25.7	Very low	26.9	Very low	169 Å²	169	133.4 Å²	133.4	79%	0.79	74%	0.743	S	S	*	*			cis	-167.3	172.3	-13.7	-131.6	-158.3	155.4	0	0	109.1
1000	V	27.4	Very low	26.9	Very low	100 Å²	100	131.3 Å²	131.3	61%	0.606	74%	0.742	S	S	*	*			trans	56.4	130.8	144.2	166.2	0	0	0	0	119.1
1001	N	27	Very low	27.1	Very low	136 Å²	136	129.1 Å²	129.1	73%	0.727	73%	0.733	S	S	*	*				-174.4	169.8	76.9	-141.4	-33.3	0	0	0	115.8
1002	N	27.9	Very low	27.3	Very low	132 Å²	132	132.6 Å²	132.6	71%	0.706	74%	0.744	S	S	*	*			trans	-60.1	178.4	176.1	-60.1	-82.1	0	0	0	114.4
1003	N	26.6	Very low	27.2	Very low	160 Å²	160	131.8 Å²	131.8	86%	0.856	74%	0.738	S	S	*	*			cis	-168.5	159.1	28.1	-151.7	-17.9	0	0	0	114.1
1004	G	26.4	Very low	27.3	Very low	62 Å²	62	130.9 Å²	130.9	64%	0.639	74%	0.737	S	S	*	*			trans	112.4	94.8	142	0	0	0	0	0	121.9
1005	S	26.4	Very low	27.2	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	74%	0.738	S	S	*	*			trans	62.6	145.9	134.7	-133	0	0	0	0	120.6
1006	N	27.4	Very low	27.1	Very low	132 Å²	132	127.3 Å²	127.3	71%	0.706	73%	0.73	S	S	*	*			cis	-165.9	147.2	31.8	-154.1	-17.6	0	0	0	113.4
1007	R	29.1	Very low	27	Very low	236 Å²	236	127.5 Å²	127.5	89%	0.891	74%	0.736	S	S	*	*			trans	65.1	144.3	171	-65.8	179.5	175	179.2	-3.6	117.6
1008	A	28.9	Very low	26.8	Very low	83 Å²	83	130.8 Å²	130.8	69%	0.686	74%	0.74	S	S	*	*			cis	-144.9	139.9	9	0	0	0	0	0	114.8
1009	V	28.6	Very low	26.7	Very low	118 Å²	118	133.4 Å²	133.4	72%	0.715	75%	0.747	S	S	*	*				39.8	127.7	123.2	-174.9	0	0	0	0	118.6
1010	H	28.3	Very low	26.6	Very low	170 Å²	170	129.1 Å²	129.1	79%	0.787	74%	0.74	S	S	*	*			cis	-125	140.1	14.8	-84.4	-71.9	0	0	0	111
1011	S	28.5	Very low	26.4	Very low	100 Å²	100	133.6 Å²	133.6	70%	0.699	75%	0.754	S	S	*	*				56.9	127	80.9	-67.4	0	0	0	0	114.6
1012	K	28.5	Very low	26.4	Very low	200 Å²	200	131.2 Å²	131.2	87%	0.87	76%	0.762	S	S	*	*			cis	-163.6	176	12.2	-105.4	176.1	-177.5	-178.5	0	107.4
1013	S	27.3	Very low	26.3	Very low	92 Å²	92	127.9 Å²	127.9	64%	0.643	76%	0.759	S	S	*	*			cis	-169.5	126.9	-10.9	171.5	0	0	0	0	104.8
1014	S	29.1	Very low	26.4	Very low	104 Å²	104	127.5 Å²	127.5	73%	0.727	76%	0.762	S	S	*	*				84.9	141.9	61.6	-52.3	0	0	0	0	116
1015	T	25.6	Very low	26.5	Very low	135 Å²	135	129 Å²	129	83%	0.828	77%	0.768	S	S	*	*			trans	79.9	133	167.2	-40.5	0	0	0	0	116.1
1016	A	23.8	Very low	26.6	Very low	80 Å²	80	129.9 Å²	129.9	66%	0.661	77%	0.769	S	S	*	*			cis	115.8	130.3	-3.6	0	0	0	0	0	117.7
1017	V	23.8	Very low	26.6	Very low	124 Å²	124	130.5 Å²	130.5	75%	0.752	78%	0.778	S	S	*	*			trans	66.4	145.7	160.5	-138.3	0	0	0	0	121.6
1018	Y	22.1	Very low	26.5	Very low	200 Å²	200	127.7 Å²	127.7	78%	0.784	78%	0.777	S	S	*	*			trans	96.8	123.4	148.8	-88.3	-65	0	0	0	123
1019	L	23	Very low	26.4	Very low	157 Å²	157	130.6 Å²	130.6	82%	0.822	79%	0.786	S	S	*	*			trans	38.5	140.6	146.8	-77.1	165.1	0	0	0	120.3
1020	A	23.4	Very low	26.3	Very low	78 Å²	78	129.5 Å²	129.5	65%	0.645	78%	0.783	S	S	*	*				-176.8	164	53.5	0	0	0	0	0	114.2
1021	E	23.8	Very low	26.4	Very low	195 Å²	195	129 Å²	129	91%	0.911	78%	0.779	S	S	*	*			trans	37.3	138	146.4	-65	-174.8	117.2	0	0	125.5
1022	G	26.4	Very low	26.3	Very low	86 Å²	86	129.4 Å²	129.4	89%	0.887	77%	0.773	S	S	*	*			trans	95.2	140.6	144.1	0	0	0	0	0	117.8
1023	G	25.3	Very low	26.5	Very low	62 Å²	62	127.4 Å²	127.4	64%	0.639	77%	0.771	S	S	*	*			cis	152.3	127.1	-8.6	0	0	0	0	0	113.2
1024	T	28.4	Very low	26.5	Very low	152 Å²	152	126.3 Å²	126.3	93%	0.933	77%	0.773	S	S	*	*			trans	65.4	162.7	180	77.4	0	0	0	0	114.7
1025	A	29.1	Very low	26.5	Very low	92 Å²	92	129.1 Å²	129.1	76%	0.76	78%	0.777	S	S	*	*			cis	-139.9	167.3	4.7	0	0	0	0	0	112.4
1026	T	28.3	Very low	26.7	Very low	132 Å²	132	128.8 Å²	128.8	81%	0.81	77%	0.77	S	S	*	*			trans	-78.6	154.3	173.7	38.9	0	0	0	0	113.1
1027	T	28.3	Very low	26.8	Very low	144 Å²	144	130.8 Å²	130.8	88%	0.883	78%	0.778	S	S	*	*			trans	-143.8	124.3	147.4	-15.4	0	0	0	0	110.2
1028	M	26.2	Very low	27.2	Very low	177 Å²	177	136.8 Å²	136.8	87%	0.872	80%	0.804	S	S	*	*			trans	-87.4	-168.6	169.2	-70.7	-175.9	165.6	0	0	110.5
1029	V	27.8	Very low	27.5	Very low	144 Å²	144	133.6 Å²	133.6	87%	0.873	81%	0.805	S	S	*	*			trans	94.6	128.9	170.3	-179.7	0	0	0	0	114
1030	S	26.5	Very low	27.7	Very low	95 Å²	95	132.4 Å²	132.4	66%	0.664	81%	0.805	S	S	*	*			cis	-168.9	158.8	-22.2	-159.2	0	0	0	0	111.3
1031	K	29.4	Very low	28	Very low	161 Å²	161	135.4 Å²	135.4	70%	0.7	81%	0.813	S	S	*	*			trans	64	127.9	146.7	-89	-175.4	152.5	-69.7	0	122.7
1032	D	27.3	Very low	28.2	Very low	108 Å²	108	131.9 Å²	131.9	58%	0.578	81%	0.808	S	S	*	*				84.4	120.8	127.1	-66	-5.8	0	0	0	122.4
1033	I	31.3	Very low	28.3	Very low	158 Å²	158	134.8 Å²	134.8	81%	0.81	80%	0.803	S	S	*	*			trans	59.4	109.3	136.4	-52.2	164.5	0	0	0	115.8
1034	G	28	Very low	28.5	Very low	68 Å²	68	139.6 Å²	139.6	70%	0.701	81%	0.814	S	S	*	*			cis	127.9	170.6	38.9	0	0	0	0	0	110.1
1035	M	28.6	Very low	28.6	Very low	163 Å²	163	138.7 Å²	138.7	80%	0.803	81%	0.805	S	S	*	*			trans	75.3	116.4	171.1	-68.2	173.7	62.1	0	0	120.4
1036	N	30.1	Very low	28.5	Very low	129 Å²	129	142.3 Å²	142.3	69%	0.69	81%	0.809	S	S	*	*			trans	78.9	104.9	132.4	-58.5	8.4	0	0	0	121.1
1037	C	26.4	Very low	28.5	Very low	122 Å²	122	143.2 Å²	143.2	82%	0.824	81%	0.809	S	S	*	*				46	118.7	123.9	-53.5	0	0	0	0	120.1
1038	L	32.5	Very low	28.6	Very low	249 Å²	249	143.1 Å²	143.1	100%	1.304	80%	0.802	S	S	*	*				-124.7	0	103.4	-100.7	164.7	0	0	0	109.1

Retrieved 1,038 of 1,038 residues in 190.8 ms (Link to these results)

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