A0A3Q0KNQ6_SCHMA Loading...

Putative terminal deoxycytidyl transferase rev1

AlphaFold DB , UniProt , Accession A0A3Q0KNQ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,078 aa.

						>A0A3Q0KNQ6_SCHMA|A0A3Q0KNQ6
MSRGYPGNRKDDGWSGYGGYMRAKISKLEKQFSEQTESGSSLFSGVSIYVNGYTDPPALVLRDLIMRHGGRYQAYYSRSAVTHVIASRLPYGKINKLSDEKLVTATWITDSIEAGKLLPWQNYQLYPTHRSGTGQKTLKIIPVIPVDETNSNKLEVVSLPHVTNTNNDPNTNVNTEIASCSTHQSSSSSDKQARAHQMRVDECLLLNHMSKADTYDGLNTKVQKNSPLKPPITLKQLLNNKLVDDALQTTDPIKDKVPSSITSYTPIQQTSLKTSIDQKLATFYSRSRLHHLSSWAKDLHSLVEEMRKNPEHNCDLGMEWYSQISSDLSLSTNNKKIIELHARYVNCNNPNSYPLSKPQKPQIIFHIDMDCFFVSVSLRNRPELEDKPIAITHAKSSRGSVNDIRSSNKHAESMSEVASCSYTARHAGVKNGMLLGRAKQLCPDLIVLPYDFEAYKAVSELLYSTISRFTRDIQAVSCDELYADCTELLIYSNENEIKPKLHDSNWEATYQIINPLILGGYIRELVRDITGGCTASIGFGTSKLLARLATKKAKPNGQYWLLGRSGGACPKLDRQTKNESWRWYSSDENIEQLETHSECELTGDEYQWLCNLPLTEIPNIGRSLAGKIFQAFDAKTCGQLMSKVSHNQITSLLGKKTGNRVYMACRGKDLDSLQFEKEYKSVSASMNYGIRLSSRSELEALVQSLCEELSSRMRNIKMSSMNEGCVGKSLTIKLYLRLPNAPVQTSKYMGHGLCSITNHTIQMTEHTADATVLYRYAVKTVYRLCPEPEDLRGIGLQVHQLQQGGSRVNGMKIMNLCSNDQTFKDNDQSLRLPKTNNLVNSQCQRISVTDNEDQRHQELNITDVNKDISNDCNRLGHLEDRHNTNRALEIQKNVTSCSSNYMPITTPVKQRNISVNGRKLQTKRVYKGGKLSVVKSARLQKANCKTISKHISTPTPMNSIKPEIPQLGCLTQAMEDPSGLFTNKTLTELQQIFGDWITSEAVPQNEDVQILTDYLSSLVNTNLERIRSVLILLDRLITKLAHPPDGSWRKAYQSILDTLTESIKEKYSGFNLKLRLAE
					

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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	36.2	Very low	36.2	Very low	241 Å²	241	165.6 Å²	165.6	100%	1.187	86%	0.855	S	S	*	*				0	143	0	-64.3	172	178.4	0	0	109.1
2	S	31	Very low	37.9	Very low	109 Å²	109	161 Å²	161	76%	0.762	83%	0.833	S	S	*	*			cis	-176.7	113.6	-40.2	-93.1	0	0	0	0	109.3
3	R	36.7	Very low	38.8	Very low	251 Å²	251	151 Å²	151	95%	0.947	79%	0.793	S	S	*	*			trans	153.3	114.9	146	-87.7	166.8	-178.9	-174.6	0.5	110.5
4	G	31.6	Very low	39.3	Very low	71 Å²	71	152.3 Å²	152.3	73%	0.732	78%	0.782	S	S	*	*			trans	-104	172.7	163.3	0	0	0	0	0	110.8
5	Y	35.8	Very low	39.7	Very low	230 Å²	230	147.8 Å²	147.8	90%	0.902	77%	0.77	S	S	*	*			trans	-126	131.5	164.9	-99.3	-90.7	0	0	0	108.8
6	P	34.9	Very low	40.2	Very low	124 Å²	124	141.1 Å²	141.1	81%	0.805	75%	0.748	S	S	*	*			trans	-74.5	155.1	-179	31.3	-35	0	0	0	111.8
7	G	31.4	Very low	40.1	Very low	79 Å²	79	145.8 Å²	145.8	81%	0.814	76%	0.755	S	S	*	*			trans	-86.8	147.2	-174.5	0	0	0	0	0	114.2
8	N	32.7	Very low	41.1	Very low	155 Å²	155	140.2 Å²	140.2	83%	0.829	74%	0.739	S	S	*	*			trans	-152.7	81	156.3	-157.1	-19.3	0	0	0	110.2	K10	N8-K10 PolarHBondContact O-N 3.35Å
9	R	37.1	Very low	42.1	Very low	245 Å²	245	133.2 Å²	133.2	93%	0.925	70%	0.703	S	S	*	*			trans	-81.4	108.5	171.8	-82.6	-168.9	177.8	-176.3	1.3	108.7	D11	R9-D11 PolarHBondContact O-N 3.06Å
10	K	44.7	Very low	43.4	Very low	192 Å²	192	132.9 Å²	132.9	84%	0.835	69%	0.693	S	S	*	*			trans	-56	130.6	167	-64.1	-178.7	178.1	-178.4	0	109	N8 D12	N8-K10 PolarHBondContact O-N 3.35Å; K10-D12 PolarHBondContact O-N 3.2Å
11	D	46.6	Very low	44.3	Very low	125 Å²	125	130.3 Å²	130.3	67%	0.668	68%	0.679	S	S	*	*			trans	-59.4	126.2	171.2	-176.1	18.9	0	0	0	108.6	R9 G13 S15	R9-D11 PolarHBondContact O-N 3.06Å; D11-G13 VanDerWaalsContact C-N 3.3Å; D11-S15 WeakPolarHBondContact OD1-CB 3.1Å; D11-S15 PolarHBondContact OD1-OG 3.17Å
12	D	55.8	Low	45.7	Very low	110 Å²	110	127.9 Å²	127.9	59%	0.588	66%	0.656	S	S	*	*			trans	-83.2	-10.4	-172.1	61.9	17.6	0	0	0	112.6	K10 W14	K10-D12 PolarHBondContact O-N 3.2Å; D12-W14 VanDerWaalsContact C-N 3.29Å; D12-W14 VanDerWaalsContact CG-CD1 3.5Å; D12-W14 WeakPolarHBondContact OD1-CA 3.43Å; D12-W14 WeakPolarHBondContact OD1-CB 3.24Å; D12-W14 PolarHBondContact OD1-N 2.8Å
13	G	50.4	Low	47.7	Very low	31 Å²	31	124.8 Å²	124.8	32%	0.32	64%	0.638	S	S	.	*	S	Bend	trans	78.4	6.3	-176.5	0	0	0	0	0	114.5	D11 G19	D11-G13 VanDerWaalsContact C-N 3.3Å; G13-G19 CarbonylContact O-C 3.57Å; G13-G19 VanDerWaalsContact O-C 3.29Å; G13-G19 WeakPolarHBondContact O-CA 3.34Å
14	W	45.5	Very low	49.4	Very low	169 Å²	169	116.5 Å²	116.5	64%	0.64	61%	0.608	S	S	*	*			trans	-93.4	-18.8	172.8	-57.4	67.4	0	0	0	111.8	D12 G16 Y20	D12-W14 VanDerWaalsContact C-N 3.29Å; D12-W14 VanDerWaalsContact CG-CD1 3.5Å; D12-W14 WeakPolarHBondContact OD1-CA 3.43Å; D12-W14 WeakPolarHBondContact OD1-CB 3.24Å; D12-W14 PolarHBondContact OD1-N 2.8Å; W14-G16 PolarHBondContact O-N 3.3Å; W14-Y20 HydrophobicContact CE3-CD2 4.49Å; W14-Y20 HydrophobicContact CZ3-CD2 4.04Å
15	S	44.7	Very low	51.4	Low	85 Å²	85	115.4 Å²	115.4	59%	0.594	59%	0.585	S	S	*	*	S	Bend	trans	-55.8	-42.6	179.2	54.2	0	0	0	0	114.5	D11	D11-S15 WeakPolarHBondContact OD1-CB 3.1Å; D11-S15 PolarHBondContact OD1-OG 3.17Å
16	G	47.8	Very low	53.2	Low	41 Å²	41	107.9 Å²	107.9	42%	0.423	57%	0.566	S	S	.	*	S	Bend	trans	-86	150.5	-174	0	0	0	0	0	115.6	W14 G18 G19	W14-G16 PolarHBondContact O-N 3.3Å; G16-G18 PolarHBondContact O-N 3.29Å; G16-G18 VanDerWaalsContact O-N 3.17Å; G16-G19 PolarHBondContact O-N 3.27Å
17	Y	38.4	Very low	55.2	Low	221 Å²	221	108.3 Å²	108.3	87%	0.867	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	117.5	173.1	-160.6	-114.5	0	0	0	110.3
18	G	57.9	Low	57.2	Low	45 Å²	45	106.6 Å²	106.6	46%	0.464	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	-5.5	-171.6	0	0	0	0	0	115.3	G16 Y20 M21 R22	G16-G18 PolarHBondContact O-N 3.29Å; G16-G18 VanDerWaalsContact O-N 3.17Å; G18-Y20 PolarHBondContact O-N 3.42Å; G18-M21 PolarHBondContact O-N 3.42Å; G18-R22 PolarHBondContact O-N 3.02Å; G18-R22 VanDerWaalsContact O-N 3.11Å
19	G	60	Low	58.9	Low	6 Å²	6	103.2 Å²	103.2	6%	0.062	51%	0.507	C	S	.	.	H	α-helix	trans	-53.6	-47.6	-180	0	0	0	0	0	113.8	G13 G16 M21 R22 A23	G13-G19 CarbonylContact O-C 3.57Å; G13-G19 VanDerWaalsContact O-C 3.29Å; G13-G19 WeakPolarHBondContact O-CA 3.34Å; G16-G19 PolarHBondContact O-N 3.27Å; G19-M21 VanDerWaalsContact C-N 3.29Å; G19-M21 PolarHBondContact O-N 2.82Å; G19-R22 PolarHBondContact O-N 3.24Å; G19-A23 PolarHBondContact O-N 3.21Å
20	Y	69	Low	60.7	Low	127 Å²	127	98 Å²	98	50%	0.498	49%	0.49	S	S	.	.	H	α-helix	trans	-52	-42	173.1	170.7	-96.5	0	0	0	113.6	W14 G18 K24	W14-Y20 HydrophobicContact CE3-CD2 4.49Å; W14-Y20 HydrophobicContact CZ3-CD2 4.04Å; G18-Y20 PolarHBondContact O-N 3.42Å; Y20-K24 HydrophobicContact CE1-CD 4.1Å; Y20-K24 WeakPolarHBondContact O-CB 3.42Å; Y20-K24 PolarHBondContact O-N 3.19Å
21	M	61.8	Low	62	Low	80 Å²	80	93.1 Å²	93.1	39%	0.394	47%	0.471	S	S	.	.	H	α-helix	trans	-70.9	-39.9	178.6	-76.1	-62.9	-64.3	0	0	111.3	G18 G19 K24 I25 Y75	G18-M21 PolarHBondContact O-N 3.42Å; G19-M21 VanDerWaalsContact C-N 3.29Å; G19-M21 PolarHBondContact O-N 2.82Å; M21-K24 PolarHBondContact O-N 3.41Å; M21-I25 WeakPolarHBondContact O-CB 3.39Å; M21-I25 WeakPolarHBondContact O-CD1 3.46Å; M21-I25 WeakPolarHBondContact O-CG1 3.44Å; M21-I25 PolarHBondContact O-N 2.66Å; M21-Y75 HydrophobicContact CE-CD1 4.32Å; M21-Y75 HydrophobicContact CE-CE1 4.02Å
22	R	66.3	Low	62.9	Low	190 Å²	190	90.1 Å²	90.1	72%	0.717	45%	0.452	S	S	*	.	H	α-helix	trans	-63.3	-46.2	177.1	-161.9	-178.9	-65.3	157.3	-1	111.5	G18 G19 K24 I25 S26	G18-R22 PolarHBondContact O-N 3.02Å; G18-R22 VanDerWaalsContact O-N 3.11Å; G19-R22 PolarHBondContact O-N 3.24Å; R22-K24 PolarHBondContact O-N 2.8Å; R22-I25 PolarHBondContact O-N 3.2Å; R22-S26 PolarHBondContact O-N 3.43Å
23	A	71.8	Confident	63.2	Low	44 Å²	44	89.4 Å²	89.4	36%	0.364	46%	0.456	S	S	.	.	H	α-helix	trans	-63.3	-38.5	174.3	0	0	0	0	0	112.5	G19 K27	G19-A23 PolarHBondContact O-N 3.21Å; A23-K27 WeakPolarHBondContact O-CB 3.4Å; A23-K27 PolarHBondContact O-N 2.81Å
24	K	73.7	Confident	63.7	Low	76 Å²	76	94.3 Å²	94.3	33%	0.33	47%	0.47	S	S	.	.	H	α-helix	trans	-67.8	-40.8	176.3	-178.2	175.8	-178.3	175.8	0	112.9	Y20 M21 R22 L28 Y75	Y20-K24 HydrophobicContact CE1-CD 4.1Å; Y20-K24 WeakPolarHBondContact O-CB 3.42Å; Y20-K24 PolarHBondContact O-N 3.19Å; M21-K24 PolarHBondContact O-N 3.41Å; R22-K24 PolarHBondContact O-N 2.8Å; K24-L28 HydrophobicContact CG-CD1 4.04Å; K24-L28 WeakPolarHBondContact O-CG 3.29Å; K24-L28 PolarHBondContact O-N 2.93Å; K24-L28 VanDerWaalsContact O-N 3.09Å; K24-Y75 WeakPolarHBondContact CE-OH 3.36Å
25	I	73.2	Confident	64.1	Low	48 Å²	48	92.9 Å²	92.9	25%	0.246	47%	0.47	C	S	.	.	H	α-helix	trans	-61.3	-55.6	175.3	-72.6	162.1	0	0	0	109.3	M21 R22 K27 L28 E29 Y75	M21-I25 WeakPolarHBondContact O-CB 3.39Å; M21-I25 WeakPolarHBondContact O-CD1 3.46Å; M21-I25 WeakPolarHBondContact O-CG1 3.44Å; M21-I25 PolarHBondContact O-N 2.66Å; R22-I25 PolarHBondContact O-N 3.2Å; I25-K27 VanDerWaalsContact C-N 3.3Å; I25-K27 PolarHBondContact O-N 3.17Å; I25-L28 PolarHBondContact O-N 3.09Å; I25-E29 VanDerWaalsContact CG2-CD 3.48Å; I25-E29 HydrophobicContact CG2-CG 4.35Å; I25-E29 WeakPolarHBondContact CG2-OE1 3.37Å; I25-E29 WeakPolarHBondContact O-CG 3.34Å; I25-E29 PolarHBondContact O-N 2.71Å; I25-Y75 HydrophobicContact CD1-CD2 4.48Å; I25-Y75 HydrophobicContact CG1-CD2 3.65Å; I25-Y75 HydrophobicContact CG1-CE2 4.13Å; I25-Y75 HydrophobicContact CG1-CG 4.22Å
26	S	73.4	Confident	64.6	Low	72 Å²	72	91.9 Å²	91.9	50%	0.503	46%	0.461	S	S	.	.	H	α-helix	trans	-58.1	-38.8	179.4	177	0	0	0	0	113.2	R22 K30	R22-S26 PolarHBondContact O-N 3.43Å; S26-K30 PolarHBondContact O-N 2.95Å
27	K	77.3	Confident	65.1	Low	134 Å²	134	98.5 Å²	98.5	58%	0.583	48%	0.481	S	S	*	.	H	α-helix	trans	-62.1	-45.7	173.6	177.7	170.8	178.6	171.6	0	112.1	A23 I25 K30 Q31	A23-K27 WeakPolarHBondContact O-CB 3.4Å; A23-K27 PolarHBondContact O-N 2.81Å; I25-K27 VanDerWaalsContact C-N 3.3Å; I25-K27 PolarHBondContact O-N 3.17Å; K27-K30 PolarHBondContact O-N 2.97Å; K27-Q31 VanDerWaalsContact CE-OE1 3.24Å; K27-Q31 HydrophobicContact CG-CG 4.41Å; K27-Q31 WeakPolarHBondContact O-CB 3.44Å; K27-Q31 VanDerWaalsContact O-CG 3.29Å; K27-Q31 WeakPolarHBondContact O-CG 3.42Å; K27-Q31 PolarHBondContact O-N 3.28Å
28	L	72.1	Confident	66	Low	42 Å²	42	94.2 Å²	94.2	22%	0.22	48%	0.483	C	S	.	.	H	α-helix	trans	-69.2	-39.8	-179.1	-74.8	164.3	0	0	0	111.8	K24 I25 Q31 F32 Y75	K24-L28 HydrophobicContact CG-CD1 4.04Å; K24-L28 WeakPolarHBondContact O-CG 3.29Å; K24-L28 PolarHBondContact O-N 2.93Å; K24-L28 VanDerWaalsContact O-N 3.09Å; I25-L28 PolarHBondContact O-N 3.09Å; L28-Q31 PolarHBondContact O-N 2.89Å; L28-F32 HydrophobicContact CB-CE2 4.15Å; L28-F32 HydrophobicContact CD2-CE2 3.97Å; L28-F32 HydrophobicContact CD2-CZ 4.1Å; L28-F32 WeakPolarHBondContact O-CD2 3.47Å; L28-F32 WeakPolarHBondContact O-CG 3.42Å; L28-F32 PolarHBondContact O-N 3.1Å; L28-F32 VanDerWaalsContact O-N 3.13Å; L28-Y75 HydrophobicContact CD1-CE2 3.8Å
29	E	70.1	Confident	66.5	Low	85 Å²	85	94.4 Å²	94.4	40%	0.397	49%	0.485	S	S	.	.	H	α-helix	trans	-56.5	-51.7	173.2	-72.4	165.2	167.8	0	0	110.3	I25 Q31 F32 S33 Q73	I25-E29 VanDerWaalsContact CG2-CD 3.48Å; I25-E29 HydrophobicContact CG2-CG 4.35Å; I25-E29 WeakPolarHBondContact CG2-OE1 3.37Å; I25-E29 WeakPolarHBondContact O-CG 3.34Å; I25-E29 PolarHBondContact O-N 2.71Å; E29-Q31 PolarHBondContact O-N 3.37Å; E29-F32 PolarHBondContact O-N 3.3Å; E29-S33 PolarHBondContact O-N 3.29Å; E29-S33 PolarHBondContact O-OG 2.82Å; E29-Q73 PolarHBondContact OE1-NE2 2.9Å
30	K	73.7	Confident	67.5	Low	134 Å²	134	97 Å²	97	58%	0.583	50%	0.502	S	S	*	.	H	α-helix	trans	-58.7	-46.2	175.9	-176.5	168.5	178.5	172.7	0	112.9	S26 K27 F32 S33 E34	S26-K30 PolarHBondContact O-N 2.95Å; K27-K30 PolarHBondContact O-N 2.97Å; K30-F32 PolarHBondContact O-N 3.27Å; K30-S33 PolarHBondContact O-N 2.83Å; K30-E34 WeakPolarHBondContact CE-OE1 3.03Å; K30-E34 IonicContact NZ-OE1 2.95Å; K30-E34 WeakPolarHBondContact O-CG 3.28Å; K30-E34 PolarHBondContact O-N 2.97Å
31	Q	71.6	Confident	68.3	Low	91 Å²	91	95.6 Å²	95.6	43%	0.425	51%	0.511	S	S	.	.	H	α-helix	trans	-63.5	-19.2	-179.7	-74.8	-171.7	-82.7	0	0	114.4	K27 L28 E29	K27-Q31 VanDerWaalsContact CE-OE1 3.24Å; K27-Q31 HydrophobicContact CG-CG 4.41Å; K27-Q31 WeakPolarHBondContact O-CB 3.44Å; K27-Q31 VanDerWaalsContact O-CG 3.29Å; K27-Q31 WeakPolarHBondContact O-CG 3.42Å; K27-Q31 PolarHBondContact O-N 3.28Å; L28-Q31 PolarHBondContact O-N 2.89Å; E29-Q31 PolarHBondContact O-N 3.37Å
32	F	65.5	Low	69.7	Low	61 Å²	61	93.1 Å²	93.1	27%	0.268	50%	0.5	S	S	.	.	H	α-helix	trans	-103	-27.6	177	-60.1	-45	0	0	0	113.3	L28 E29 K30 E34 Q35 M66	L28-F32 HydrophobicContact CB-CE2 4.15Å; L28-F32 HydrophobicContact CD2-CE2 3.97Å; L28-F32 HydrophobicContact CD2-CZ 4.1Å; L28-F32 WeakPolarHBondContact O-CD2 3.47Å; L28-F32 WeakPolarHBondContact O-CG 3.42Å; L28-F32 PolarHBondContact O-N 3.1Å; L28-F32 VanDerWaalsContact O-N 3.13Å; E29-F32 PolarHBondContact O-N 3.3Å; K30-F32 PolarHBondContact O-N 3.27Å; F32-E34 PolarHBondContact O-N 2.83Å; F32-Q35 PolarHBondContact O-N 3.08Å; F32-M66 HydrophobicContact CB-CE 4.37Å; F32-M66 WeakPolarHBondContact O-CE 3.45Å
33	S	64	Low	70.9	Confident	96 Å²	96	84.1 Å²	84.1	67%	0.671	47%	0.465	S	S	*	.	H	α-helix	trans	-61.7	-30	171.3	-66.9	0	0	0	0	113.1	E29 K30 Q35	E29-S33 PolarHBondContact O-N 3.29Å; E29-S33 PolarHBondContact O-OG 2.82Å; K30-S33 PolarHBondContact O-N 2.83Å; S33-Q35 PolarHBondContact O-N 2.86Å
34	E	59.4	Low	71.7	Confident	134 Å²	134	86.2 Å²	86.2	63%	0.626	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	5.3	-179.7	-68.1	170.2	171.5	0	0	114.1	K30 F32	K30-E34 WeakPolarHBondContact CE-OE1 3.03Å; K30-E34 IonicContact NZ-OE1 2.95Å; K30-E34 WeakPolarHBondContact O-CG 3.28Å; K30-E34 PolarHBondContact O-N 2.97Å; F32-E34 PolarHBondContact O-N 2.83Å
35	Q	53.9	Low	72.3	Confident	138 Å²	138	85.2 Å²	85.2	65%	0.645	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	21.1	-169	-58.1	-163.9	-42.2	0	0	115.7	F32 S33	F32-Q35 PolarHBondContact O-N 3.08Å; S33-Q35 PolarHBondContact O-N 2.86Å
36	T	56.1	Low	73.2	Confident	64 Å²	64	83.3 Å²	83.3	39%	0.393	48%	0.48	S	S	.	.			trans	-121.1	115.6	-174.5	-41.1	0	0	0	0	112.6	M66	T36-M66 HydrophobicContact CG2-CB 4.08Å; T36-M66 WeakPolarHBondContact OG1-CE 3.43Å
37	E	56.9	Low	74.1	Confident	180 Å²	180	80.1 Å²	80.1	84%	0.841	46%	0.457	S	S	*	.			trans	-83.9	143.3	166	-65.7	179.8	161.7	0	0	110.4	G39	E37-G39 PolarHBondContact O-N 3.1Å
38	S	57.3	Low	74.9	Confident	131 Å²	131	73.8 Å²	73.8	92%	0.916	43%	0.429	S	S	*	.			trans	-72.4	112.1	-167.4	-57.1	0	0	0	0	113.7
39	G	68.9	Low	75.9	Confident	49 Å²	49	74 Å²	74	51%	0.505	43%	0.428	S	S	.	.			trans	-99.6	-148.9	163.9	0	0	0	0	0	112.9	E37 R67	E37-G39 PolarHBondContact O-N 3.1Å; G39-R67 CarbonylContact C-O 3.56Å; G39-R67 WeakPolarHBondContact CA-O 3.25Å; G39-R67 PolarHBondContact N-O 3.07Å
40	S	81.3	Confident	77	Confident	61 Å²	61	70.6 Å²	70.6	43%	0.427	41%	0.413	S	S	.	.			trans	-79.2	158.8	-176.2	69.6	0	0	0	0	113.5	L42 H68 G69	S40-L42 PolarHBondContact O-N 3.23Å; S40-H68 CarbonylContact O-C 3.5Å; S40-H68 WeakPolarHBondContact O-CA 3.38Å; S40-H68 PolarHBondContact OG-ND1 3.47Å; S40-G69 PolarHBondContact O-N 2.96Å
41	S	86	Confident	77.8	Confident	97 Å²	97	64.4 Å²	64.4	68%	0.678	39%	0.386	S	S	*	.			trans	-84.5	19	-178.4	52	0	0	0	0	114.9	F43 S44	S41-F43 VanDerWaalsContact C-N 3.34Å; S41-F43 PolarHBondContact O-N 3.43Å; S41-S44 WeakPolarHBondContact O-CB 3.26Å; S41-S44 PolarHBondContact O-N 3.4Å
42	L	90.6	Very high	78.3	Confident	29 Å²	29	63 Å²	63	15%	0.152	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-39.8	-168.9	176	67.4	0	0	0	114.7	S40 H68 S111 I112 K116 L117	S40-L42 PolarHBondContact O-N 3.23Å; L42-H68 HydrophobicContact CB-CB 4.23Å; L42-H68 HydrophobicContact CD2-CB 4.41Å; L42-H68 PolarHBondContact N-O 3.4Å; L42-S111 WeakPolarHBondContact CD2-O 3.37Å; L42-I112 HydrophobicContact CD2-CB 4.34Å; L42-I112 HydrophobicContact CD2-CG1 3.7Å; L42-K116 VanDerWaalsContact CD1-C 3.46Å; L42-L117 HydrophobicContact CD1-CB 4.36Å
43	F	91.8	Very high	79.3	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	23.4	178.1	-61.2	-69.1	0	0	0	112.7	S41 G45 V46 H68 G70 I108 I112 L117	S41-F43 VanDerWaalsContact C-N 3.34Å; S41-F43 PolarHBondContact O-N 3.43Å; F43-G45 PolarHBondContact O-N 3.13Å; F43-V46 HydrophobicContact CB-CB 4.08Å; F43-V46 HydrophobicContact CB-CG2 4.2Å; F43-V46 HydrophobicContact CD1-CG2 4.45Å; F43-V46 WeakPolarHBondContact O-CA 3.17Å; F43-V46 WeakPolarHBondContact O-CB 3.36Å; F43-V46 WeakPolarHBondContact O-CG2 3.46Å; F43-V46 PolarHBondContact O-N 3.17Å; F43-H68 WeakPolarHBondContact CB-O 3.29Å; F43-H68 HydrophobicContact CD2-CB 3.53Å; F43-H68 HydrophobicContact CE2-CB 3.84Å; F43-H68 PolarHBondContact N-O 3.13Å; F43-G70 WeakPolarHBondContact O-CA 3.35Å; F43-I108 HydrophobicContact CE2-CG2 4.18Å; F43-I108 HydrophobicContact CZ-CB 4.35Å; F43-I108 HydrophobicContact CZ-CG1 4.49Å; F43-I108 HydrophobicContact CZ-CG2 3.95Å; F43-I112 HydrophobicContact CE2-CD1 4.03Å; F43-I112 HydrophobicContact CE2-CG1 3.83Å; F43-I112 HydrophobicContact CZ-CD1 4.49Å; F43-I112 HydrophobicContact CZ-CG1 4.14Å; F43-L117 HydrophobicContact CD1-CD1 3.53Å; F43-L117 HydrophobicContact CE1-CD1 3.49Å; F43-L117 VanDerWaalsContact CE1-CD1 3.49Å
44	S	88.2	Confident	80.6	Confident	88 Å²	88	62.4 Å²	62.4	62%	0.615	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	132.5	175.6	-175	0	0	0	0	111.4	S41 V46	S41-S44 WeakPolarHBondContact O-CB 3.26Å; S41-S44 PolarHBondContact O-N 3.4Å; S44-V46 PolarHBondContact O-N 2.71Å
45	G	87.4	Confident	82	Confident	55 Å²	55	60.8 Å²	60.8	57%	0.567	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-8.8	-173.7	0	0	0	0	0	115.4	F43	F43-G45 PolarHBondContact O-N 3.13Å
46	V	91.7	Very high	83.8	Confident	9 Å²	9	55.7 Å²	55.7	6%	0.055	35%	0.353	C	S	.	.			trans	-85.7	137.6	176.9	-166.4	0	0	0	0	110	F43 S44 I48 R71 H83 W107 L117	F43-V46 HydrophobicContact CB-CB 4.08Å; F43-V46 HydrophobicContact CB-CG2 4.2Å; F43-V46 HydrophobicContact CD1-CG2 4.45Å; F43-V46 WeakPolarHBondContact O-CA 3.17Å; F43-V46 WeakPolarHBondContact O-CB 3.36Å; F43-V46 WeakPolarHBondContact O-CG2 3.46Å; F43-V46 PolarHBondContact O-N 3.17Å; S44-V46 PolarHBondContact O-N 2.71Å; V46-I48 HydrophobicContact CG1-CD1 3.89Å; V46-I48 HydrophobicContact CG1-CG1 3.92Å; V46-R71 PolarHBondContact O-N 2.71Å; V46-H83 WeakPolarHBondContact CG1-ND1 3.44Å; V46-W107 HydrophobicContact CG1-CH2 3.95Å; V46-W107 HydrophobicContact CG1-CZ3 4.37Å; V46-L117 HydrophobicContact CG2-CD2 4.26Å
47	S	92.1	Very high	85.4	Confident	5 Å²	5	56.1 Å²	56.1	4%	0.035	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.8	178.1	-177.4	0	0	0	0	109.6	R71 A80 T82 H83	S47-R71 CarbonylContact C-O 3.53Å; S47-R71 WeakPolarHBondContact CA-O 3.4Å; S47-A80 WeakPolarHBondContact CB-O 3.4Å; S47-A80 PolarHBondContact OG-O 3.2Å; S47-T82 PolarHBondContact N-OG1 2.93Å; S47-T82 PolarHBondContact O-N 3Å; S47-T82 PolarHBondContact O-OG1 3.18Å; S47-H83 PolarHBondContact O-N 3.38Å; S47-H83 VanDerWaalsContact O-N 3.11Å
48	I	94	Very high	87	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.1	-160.8	-71.9	161.8	0	0	0	111.3	V46 V50 I65 R71 Q73 H83 I85 W107 I108	V46-I48 HydrophobicContact CG1-CD1 3.89Å; V46-I48 HydrophobicContact CG1-CG1 3.92Å; I48-V50 HydrophobicContact CG2-CG2 4.22Å; I48-I65 HydrophobicContact CB-CD1 3.86Å; I48-I65 HydrophobicContact CD1-CD1 3.72Å; I48-I65 HydrophobicContact CD1-CG1 3.74Å; I48-I65 HydrophobicContact CD1-CG2 4.12Å; I48-I65 HydrophobicContact CG1-CD1 4.39Å; I48-I65 HydrophobicContact CG2-CD1 3.53Å; I48-R71 PolarHBondContact N-O 3.43Å; I48-Q73 PolarHBondContact O-N 2.98Å; I48-H83 WeakPolarHBondContact CA-O 3.38Å; I48-H83 HydrophobicContact CG1-CB 4.42Å; I48-I85 HydrophobicContact CG2-CG1 3.54Å; I48-W107 HydrophobicContact CD1-CZ3 4.44Å; I48-I108 HydrophobicContact CD1-CD1 4.26Å
49	Y	94	Very high	88.5	Confident	47 Å²	47	48.7 Å²	48.7	18%	0.184	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.9	169.4	173.3	-108.6	0	0	0	110.7	N51 Q73 Y76 H83 V84 I85	Y49-N51 HydrophobicContact CD1-CB 4.01Å; Y49-N51 HydrophobicContact CE1-CB 3.62Å; Y49-Q73 WeakPolarHBondContact CD2-O 3.37Å; Y49-Y76 AromaticContact CD1-CD2 3.92Å; Y49-Y76 HydrophobicContact CD1-CD2 3.92Å; Y49-Y76 HydrophobicContact CD1-CG 4.24Å; Y49-Y76 HydrophobicContact CE1-CD2 4.44Å; Y49-Y76 HydrophobicContact CE1-CG 4.36Å; Y49-Y76 HydrophobicContact CG-CD2 4.3Å; Y49-H83 PolarHBondContact N-O 3.23Å; Y49-H83 VanDerWaalsContact N-O 3.14Å; Y49-V84 HydrophobicContact CD1-CG1 4.19Å; Y49-V84 HydrophobicContact CD1-CG2 4.4Å; Y49-V84 WeakPolarHBondContact O-CA 3.48Å; Y49-I85 PolarHBondContact O-N 3.48Å
50	V	93.1	Very high	89.6	Confident	13 Å²	13	49.5 Å²	49.5	8%	0.079	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.7	178.4	-178.1	0	0	0	0	110.7	I48 T54 A58 L61 Y72 I85	I48-V50 HydrophobicContact CG2-CG2 4.22Å; V50-T54 HydrophobicContact CG1-CG2 3.56Å; V50-A58 HydrophobicContact CB-CB 4.15Å; V50-A58 HydrophobicContact CG1-CB 3.64Å; V50-L61 HydrophobicContact CG1-CD1 4.32Å; V50-L61 HydrophobicContact CG2-CB 4.37Å; V50-L61 HydrophobicContact CG2-CD1 4.09Å; V50-Y72 HydrophobicContact CB-CE2 4.25Å; V50-Y72 HydrophobicContact CG2-CD2 4.44Å; V50-Y72 HydrophobicContact CG2-CE2 3.67Å; V50-I85 HydrophobicContact CG2-CB 4.26Å
51	N	89.3	Confident	90.2	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.027	29%	0.29	C	S	.	.			trans	-129	76.2	-161.4	-168.2	-0.5	0	0	0	113.2	Y49 V84 I85 L89 K93 L97	Y49-N51 HydrophobicContact CD1-CB 4.01Å; Y49-N51 HydrophobicContact CE1-CB 3.62Å; N51-V84 HydrophobicContact CB-CG1 3.91Å; N51-I85 PolarHBondContact N-O 2.81Å; N51-L89 HydrophobicContact CB-CD2 4.06Å; N51-L89 VanDerWaalsContact O-CD2 3.3Å; N51-L89 WeakPolarHBondContact O-CD2 3.36Å; N51-K93 PolarHBondContact OD1-NZ 2.66Å; N51-L97 WeakPolarHBondContact ND2-CD1 3.24Å
52	G	83.2	Confident	90.4	Very high	60 Å²	60	44.9 Å²	44.9	62%	0.619	27%	0.269	S	S	*	.	S	Bend	trans	113.8	-141.6	175.7	0	0	0	0	0	112.5
53	Y	86	Confident	90.4	Very high	141 Å²	141	46.6 Å²	46.6	55%	0.553	28%	0.278	S	S	*	.			trans	-77.9	137.4	170.7	-176.2	-85.6	0	0	0	109.9	D55 S87	Y53-D55 HydrophobicContact CE1-CB 4.18Å; Y53-S87 PolarHBondContact O-N 2.98Å; Y53-S87 VanDerWaalsContact O-N 3.07Å; Y53-S87 PolarHBondContact O-OG 2.83Å
54	T	91.7	Very high	90.4	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.025	29%	0.287	C	S	.	.			trans	-137	157.1	169.1	56.1	0	0	0	0	109.5	V50 P56 A58 L61 I85 S87 A105	V50-T54 HydrophobicContact CG1-CG2 3.56Å; T54-P56 CarbonylContact C-O 3.38Å; T54-P56 VanDerWaalsContact CB-O 3.27Å; T54-P56 WeakPolarHBondContact CB-O 3.31Å; T54-P56 CarbonylContact O-C 3.41Å; T54-P56 PolarHBondContact OG1-O 2.88Å; T54-A58 PolarHBondContact OG1-N 2.8Å; T54-L61 HydrophobicContact CG2-CD1 4.03Å; T54-L61 WeakPolarHBondContact OG1-CD1 3.39Å; T54-I85 HydrophobicContact CG2-CG2 3.98Å; T54-S87 WeakPolarHBondContact CA-OG 3.3Å; T54-A105 HydrophobicContact CG2-CB 4.42Å
55	D	89.5	Confident	90.6	Very high	100 Å²	100	44.1 Å²	44.1	54%	0.535	26%	0.258	S	S	.	.	S	Bend	trans	-130.7	114.1	168	-149	-15.2	0	0	0	107	Y53 A105	Y53-D55 HydrophobicContact CE1-CB 4.18Å; D55-A105 VanDerWaalsContact O-CB 3.29Å; D55-A105 WeakPolarHBondContact O-CB 3.11Å
56	P	90.4	Very high	90.7	Very high	31 Å²	31	43.3 Å²	43.3	20%	0.201	24%	0.24	C	C	.	.	S	Bend	cis	-61	161.8	-1	-24.9	35.3	0	0	0	115.4	T54 V60 L61 T109	T54-P56 CarbonylContact C-O 3.38Å; T54-P56 VanDerWaalsContact CB-O 3.27Å; T54-P56 WeakPolarHBondContact CB-O 3.31Å; T54-P56 CarbonylContact O-C 3.41Å; T54-P56 PolarHBondContact OG1-O 2.88Å; P56-V60 HydrophobicContact CB-CB 4.1Å; P56-V60 HydrophobicContact CB-CG1 4.01Å; P56-L61 HydrophobicContact CB-CD2 4.34Å; P56-L61 HydrophobicContact CG-CD2 4.49Å; P56-T109 HydrophobicContact CG-CG2 3.95Å
57	P	90.8	Very high	90.6	Very high	73 Å²	73	47.9 Å²	47.9	47%	0.474	26%	0.256	S	S	.	.			trans	-61.8	151.9	178.5	-24.4	34.8	0	0	0	113.9	L59 V60 L61	P57-L59 PolarHBondContact O-N 2.8Å; P57-V60 WeakPolarHBondContact O-CA 3.29Å; P57-V60 WeakPolarHBondContact O-CB 3.37Å; P57-V60 PolarHBondContact O-N 2.97Å; P57-L61 PolarHBondContact O-N 2.97Å
58	A	90	Very high	90.6	Very high	29 Å²	29	49.2 Å²	49.2	24%	0.24	26%	0.262	C	S	.	.	H	α-helix	trans	-53.9	-30.6	-175.7	0	0	0	0	0	115.6	V50 T54 R62	V50-A58 HydrophobicContact CB-CB 4.15Å; V50-A58 HydrophobicContact CG1-CB 3.64Å; T54-A58 PolarHBondContact OG1-N 2.8Å; A58-R62 WeakPolarHBondContact O-CB 3.24Å; A58-R62 PolarHBondContact O-N 3.17Å
59	L	88	Confident	90.3	Very high	127 Å²	127	51.2 Å²	51.2	67%	0.665	28%	0.282	S	S	*	.	H	α-helix	trans	-71.5	-33.7	175.6	-70.9	174.6	0	0	0	113	P57 D63	P57-L59 PolarHBondContact O-N 2.8Å; L59-D63 PolarHBondContact O-N 2.8Å
60	V	92.3	Very high	90.1	Very high	65 Å²	65	49.3 Å²	49.3	39%	0.394	28%	0.277	S	S	.	.	H	α-helix	trans	-73.6	-44.2	173.7	-177.5	0	0	0	0	109.4	P56 P57 R62 D63 L64	P56-V60 HydrophobicContact CB-CB 4.1Å; P56-V60 HydrophobicContact CB-CG1 4.01Å; P57-V60 WeakPolarHBondContact O-CA 3.29Å; P57-V60 WeakPolarHBondContact O-CB 3.37Å; P57-V60 PolarHBondContact O-N 2.97Å; V60-R62 VanDerWaalsContact C-N 3.34Å; V60-R62 PolarHBondContact O-N 3.47Å; V60-D63 PolarHBondContact O-N 3.23Å; V60-D63 VanDerWaalsContact O-N 3.16Å; V60-L64 HydrophobicContact CG1-CD1 4.11Å; V60-L64 HydrophobicContact CG1-CG 4.37Å; V60-L64 WeakPolarHBondContact O-CG 3.13Å; V60-L64 PolarHBondContact O-N 3.22Å
61	L	93.5	Very high	89.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-57.9	-44.8	174.5	-65.9	179.9	0	0	0	111.8	V50 T54 P56 P57 D63 L64 I65 I85 A105 I108	V50-L61 HydrophobicContact CG1-CD1 4.32Å; V50-L61 HydrophobicContact CG2-CB 4.37Å; V50-L61 HydrophobicContact CG2-CD1 4.09Å; T54-L61 HydrophobicContact CG2-CD1 4.03Å; T54-L61 WeakPolarHBondContact OG1-CD1 3.39Å; P56-L61 HydrophobicContact CB-CD2 4.34Å; P56-L61 HydrophobicContact CG-CD2 4.49Å; P57-L61 PolarHBondContact O-N 2.97Å; L61-D63 VanDerWaalsContact C-N 3.32Å; L61-D63 PolarHBondContact O-N 3.34Å; L61-L64 PolarHBondContact O-N 3.5Å; L61-I65 HydrophobicContact CB-CD1 4.32Å; L61-I65 VanDerWaalsContact O-CB 3.31Å; L61-I65 WeakPolarHBondContact O-CB 3.43Å; L61-I65 WeakPolarHBondContact O-CD1 3.49Å; L61-I65 WeakPolarHBondContact O-CG1 3.48Å; L61-I65 PolarHBondContact O-N 3.12Å; L61-I85 HydrophobicContact CD1-CG2 4.11Å; L61-A105 HydrophobicContact CD1-CB 4.01Å; L61-A105 HydrophobicContact CD2-CB 4.36Å; L61-I108 HydrophobicContact CD2-CB 4.46Å; L61-I108 HydrophobicContact CD2-CD1 4.07Å; L61-I108 HydrophobicContact CD2-CG2 4.44Å
62	R	91.3	Very high	90	Very high	62 Å²	62	59.3 Å²	59.3	23%	0.234	31%	0.314	C	S	.	.	H	α-helix	trans	-51.7	-50.6	173.3	175.6	-168	68.5	143.9	8.6	112	A58 V60 I65 M66 Y72	A58-R62 WeakPolarHBondContact O-CB 3.24Å; A58-R62 PolarHBondContact O-N 3.17Å; V60-R62 VanDerWaalsContact C-N 3.34Å; V60-R62 PolarHBondContact O-N 3.47Å; R62-I65 PolarHBondContact O-N 3.03Å; R62-M66 HydrophobicContact CG-SD 3.63Å; R62-M66 WeakPolarHBondContact O-CB 3.43Å; R62-M66 VanDerWaalsContact O-CG 3.31Å; R62-M66 WeakPolarHBondContact O-CG 3.25Å; R62-M66 PolarHBondContact O-N 3.24Å; R62-Y72 VanDerWaalsContact CA-CD2 3.49Å; R62-Y72 HydrophobicContact CB-CD1 4.13Å; R62-Y72 HydrophobicContact CB-CD2 3.6Å; R62-Y72 HydrophobicContact CB-CE1 4.28Å; R62-Y72 HydrophobicContact CB-CE2 3.73Å; R62-Y72 HydrophobicContact CB-CG 3.8Å; R62-Y72 HydrophobicContact CG-CD1 3.76Å; R62-Y72 HydrophobicContact CG-CD2 4.03Å; R62-Y72 HydrophobicContact CG-CE1 4.22Å; R62-Y72 HydrophobicContact CG-CE2 4.43Å; R62-Y72 HydrophobicContact CG-CG 3.66Å
63	D	90	Very high	90.2	Very high	65 Å²	65	57.8 Å²	57.8	35%	0.348	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-45.6	-176.7	-178.4	67.2	0	0	0	111.8	L59 V60 L61 R67	L59-D63 PolarHBondContact O-N 2.8Å; V60-D63 PolarHBondContact O-N 3.23Å; V60-D63 VanDerWaalsContact O-N 3.16Å; L61-D63 VanDerWaalsContact C-N 3.32Å; L61-D63 PolarHBondContact O-N 3.34Å; D63-R67 VanDerWaalsContact O-CB 3.3Å; D63-R67 WeakPolarHBondContact O-CB 3.49Å; D63-R67 PolarHBondContact O-N 3.27Å; D63-R67 IonicContact OD1-CZ 3.93Å; D63-R67 IonicContact OD1-NH1 2.69Å; D63-R67 IonicContact OD1-NH2 3.76Å; D63-R67 PolarHBondContact OD1-NH2 3.32Å; D63-R67 IonicContact OD2-CZ 2.86Å; D63-R67 VanDerWaalsContact OD2-CZ 3.28Å; D63-R67 IonicContact OD2-NH1 2.83Å; D63-R67 PolarHBondContact OD2-NH1 3.35Å; D63-R67 IonicContact OD2-NH2 3.79Å; D63-R67 PolarHBondContact OD2-NH2 3.4Å
64	L	92.6	Very high	90.1	Very high	35 Å²	35	53.2 Å²	53.2	18%	0.183	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-48.5	173.2	-67	174.7	0	0	0	112.2	V60 L61 M66 H68 I108 I112	V60-L64 HydrophobicContact CG1-CD1 4.11Å; V60-L64 HydrophobicContact CG1-CG 4.37Å; V60-L64 WeakPolarHBondContact O-CG 3.13Å; V60-L64 PolarHBondContact O-N 3.22Å; L61-L64 PolarHBondContact O-N 3.5Å; L64-M66 VanDerWaalsContact C-N 3.35Å; L64-M66 PolarHBondContact O-N 3.23Å; L64-H68 WeakPolarHBondContact O-CB 3.41Å; L64-H68 PolarHBondContact O-CD2 3.07Å; L64-H68 VanDerWaalsContact O-CD2 3.25Å; L64-H68 PolarHBondContact O-N 2.89Å; L64-I108 HydrophobicContact CB-CG2 4.37Å; L64-I112 HydrophobicContact CB-CD1 3.92Å; L64-I112 HydrophobicContact CD1-CD1 4.36Å; L64-I112 HydrophobicContact CD2-CD1 4.12Å; L64-I112 HydrophobicContact CG-CD1 4.36Å
65	I	92.2	Very high	89.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.8	-46.6	-179.6	-70.3	159.8	0	0	0	110.7	I48 L61 R62 H68 G69 G70 Y72 I108	I48-I65 HydrophobicContact CB-CD1 3.86Å; I48-I65 HydrophobicContact CD1-CD1 3.72Å; I48-I65 HydrophobicContact CD1-CG1 3.74Å; I48-I65 HydrophobicContact CD1-CG2 4.12Å; I48-I65 HydrophobicContact CG1-CD1 4.39Å; I48-I65 HydrophobicContact CG2-CD1 3.53Å; L61-I65 HydrophobicContact CB-CD1 4.32Å; L61-I65 VanDerWaalsContact O-CB 3.31Å; L61-I65 WeakPolarHBondContact O-CB 3.43Å; L61-I65 WeakPolarHBondContact O-CD1 3.49Å; L61-I65 WeakPolarHBondContact O-CG1 3.48Å; L61-I65 PolarHBondContact O-N 3.12Å; R62-I65 PolarHBondContact O-N 3.03Å; I65-H68 CarbonylContact O-C 3.52Å; I65-H68 PolarHBondContact O-N 3.46Å; I65-G69 PolarHBondContact O-N 3.34Å; I65-G70 WeakPolarHBondContact O-CA 3.44Å; I65-G70 PolarHBondContact O-N 2.8Å; I65-Y72 HydrophobicContact CD1-CD2 4.07Å; I65-I108 HydrophobicContact CD1-CD1 3.9Å; I65-I108 HydrophobicContact CG1-CD1 4.07Å; I65-I108 HydrophobicContact CG1-CG2 4.42Å
66	M	89.3	Confident	89.5	Confident	38 Å²	38	55.7 Å²	55.7	19%	0.187	28%	0.284	C	S	.	.	H	α-helix	trans	-71.9	-43.4	-176.6	-70.6	171.9	56.9	0	0	112.1	F32 T36 R62 L64 H68 G69	F32-M66 HydrophobicContact CB-CE 4.37Å; F32-M66 WeakPolarHBondContact O-CE 3.45Å; T36-M66 HydrophobicContact CG2-CB 4.08Å; T36-M66 WeakPolarHBondContact OG1-CE 3.43Å; R62-M66 HydrophobicContact CG-SD 3.63Å; R62-M66 WeakPolarHBondContact O-CB 3.43Å; R62-M66 VanDerWaalsContact O-CG 3.31Å; R62-M66 WeakPolarHBondContact O-CG 3.25Å; R62-M66 PolarHBondContact O-N 3.24Å; L64-M66 VanDerWaalsContact C-N 3.35Å; L64-M66 PolarHBondContact O-N 3.23Å; M66-H68 PolarHBondContact O-N 3.19Å; M66-G69 PolarHBondContact O-N 2.61Å
67	R	89	Confident	89.1	Confident	105 Å²	105	56.2 Å²	56.2	40%	0.396	29%	0.289	S	S	.	.	H	α-helix	trans	-60.1	-31.3	174.4	-173.1	175.7	-63.2	101.2	11.2	112.4	G39 D63	G39-R67 CarbonylContact C-O 3.56Å; G39-R67 WeakPolarHBondContact CA-O 3.25Å; G39-R67 PolarHBondContact N-O 3.07Å; D63-R67 VanDerWaalsContact O-CB 3.3Å; D63-R67 WeakPolarHBondContact O-CB 3.49Å; D63-R67 PolarHBondContact O-N 3.27Å; D63-R67 IonicContact OD1-CZ 3.93Å; D63-R67 IonicContact OD1-NH1 2.69Å; D63-R67 IonicContact OD1-NH2 3.76Å; D63-R67 PolarHBondContact OD1-NH2 3.32Å; D63-R67 IonicContact OD2-CZ 2.86Å; D63-R67 VanDerWaalsContact OD2-CZ 3.28Å; D63-R67 IonicContact OD2-NH1 2.83Å; D63-R67 PolarHBondContact OD2-NH1 3.35Å; D63-R67 IonicContact OD2-NH2 3.79Å; D63-R67 PolarHBondContact OD2-NH2 3.4Å
68	H	92.1	Very high	88.5	Confident	33 Å²	33	60.9 Å²	60.9	15%	0.153	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	27.8	178.9	-69.7	-71.5	0	0	0	113.8	S40 L42 F43 L64 I65 M66 G70	S40-H68 CarbonylContact O-C 3.5Å; S40-H68 WeakPolarHBondContact O-CA 3.38Å; S40-H68 PolarHBondContact OG-ND1 3.47Å; L42-H68 HydrophobicContact CB-CB 4.23Å; L42-H68 HydrophobicContact CD2-CB 4.41Å; L42-H68 PolarHBondContact N-O 3.4Å; F43-H68 WeakPolarHBondContact CB-O 3.29Å; F43-H68 HydrophobicContact CD2-CB 3.53Å; F43-H68 HydrophobicContact CE2-CB 3.84Å; F43-H68 PolarHBondContact N-O 3.13Å; L64-H68 WeakPolarHBondContact O-CB 3.41Å; L64-H68 PolarHBondContact O-CD2 3.07Å; L64-H68 VanDerWaalsContact O-CD2 3.25Å; L64-H68 PolarHBondContact O-N 2.89Å; I65-H68 CarbonylContact O-C 3.52Å; I65-H68 PolarHBondContact O-N 3.46Å; M66-H68 PolarHBondContact O-N 3.19Å; H68-G70 PolarHBondContact O-N 3.03Å
69	G	87.7	Confident	88	Confident	42 Å²	42	65 Å²	65	43%	0.433	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	7.7	165	0	0	0	0	0	116.6	S40 I65 M66	S40-G69 PolarHBondContact O-N 2.96Å; I65-G69 PolarHBondContact O-N 3.34Å; M66-G69 PolarHBondContact O-N 2.61Å
70	G	90.1	Very high	87.8	Confident	7 Å²	7	60.9 Å²	60.9	7%	0.072	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-94.2	161.8	176.2	0	0	0	0	0	113.3	F43 I65 H68	F43-G70 WeakPolarHBondContact O-CA 3.35Å; I65-G70 WeakPolarHBondContact O-CA 3.44Å; I65-G70 PolarHBondContact O-N 2.8Å; H68-G70 PolarHBondContact O-N 3.03Å
71	R	89.2	Confident	87.7	Confident	171 Å²	171	58.3 Å²	58.3	65%	0.645	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.6	175.7	-77.9	-178.7	-89	-178.9	-7.6	111.4	V46 S47 I48	V46-R71 PolarHBondContact O-N 2.71Å; S47-R71 CarbonylContact C-O 3.53Å; S47-R71 WeakPolarHBondContact CA-O 3.4Å; I48-R71 PolarHBondContact N-O 3.43Å
72	Y	91.5	Very high	87.6	Confident	58 Å²	58	60.7 Å²	60.7	23%	0.227	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.7	171	-180	-88	0	0	0	110.5	V50 R62 I65	V50-Y72 HydrophobicContact CB-CE2 4.25Å; V50-Y72 HydrophobicContact CG2-CD2 4.44Å; V50-Y72 HydrophobicContact CG2-CE2 3.67Å; R62-Y72 VanDerWaalsContact CA-CD2 3.49Å; R62-Y72 HydrophobicContact CB-CD1 4.13Å; R62-Y72 HydrophobicContact CB-CD2 3.6Å; R62-Y72 HydrophobicContact CB-CE1 4.28Å; R62-Y72 HydrophobicContact CB-CE2 3.73Å; R62-Y72 HydrophobicContact CB-CG 3.8Å; R62-Y72 HydrophobicContact CG-CD1 3.76Å; R62-Y72 HydrophobicContact CG-CD2 4.03Å; R62-Y72 HydrophobicContact CG-CE1 4.22Å; R62-Y72 HydrophobicContact CG-CE2 4.43Å; R62-Y72 HydrophobicContact CG-CG 3.66Å; I65-Y72 HydrophobicContact CD1-CD2 4.07Å
73	Q	87.6	Confident	87.8	Confident	27 Å²	27	58.2 Å²	58.2	13%	0.126	30%	0.298	C	S	.	.			trans	-96.9	115.3	-178.6	-165.8	65.1	21.7	0	0	111	E29 I48 Y49 Y75 V81	E29-Q73 PolarHBondContact OE1-NE2 2.9Å; I48-Q73 PolarHBondContact O-N 2.98Å; Y49-Q73 WeakPolarHBondContact CD2-O 3.37Å; Q73-Y75 VanDerWaalsContact C-N 3.31Å; Q73-Y75 WeakPolarHBondContact CG-O 3.38Å; Q73-Y75 PolarHBondContact O-N 2.69Å; Q73-V81 HydrophobicContact CB-CG2 4.14Å; Q73-V81 HydrophobicContact CG-CG2 4.13Å
74	A	83.5	Confident	87.9	Confident	45 Å²	45	55.1 Å²	55.1	37%	0.372	28%	0.281	S	S	.	.	S	Bend	trans	-71.8	-22.6	179.7	0	0	0	0	0	114.1
75	Y	82.3	Confident	88	Confident	77 Å²	77	53.5 Å²	53.5	30%	0.302	27%	0.273	S	S	.	.	S	Bend	trans	-133.4	118.6	180	-69.3	-78.2	0	0	0	110.5	M21 K24 I25 L28 Q73 S77	M21-Y75 HydrophobicContact CE-CD1 4.32Å; M21-Y75 HydrophobicContact CE-CE1 4.02Å; K24-Y75 WeakPolarHBondContact CE-OH 3.36Å; I25-Y75 HydrophobicContact CD1-CD2 4.48Å; I25-Y75 HydrophobicContact CG1-CD2 3.65Å; I25-Y75 HydrophobicContact CG1-CE2 4.13Å; I25-Y75 HydrophobicContact CG1-CG 4.22Å; L28-Y75 HydrophobicContact CD1-CE2 3.8Å; Q73-Y75 VanDerWaalsContact C-N 3.31Å; Q73-Y75 WeakPolarHBondContact CG-O 3.38Å; Q73-Y75 PolarHBondContact O-N 2.69Å; Y75-S77 PolarHBondContact O-N 3.04Å
76	Y	86.7	Confident	88.1	Confident	80 Å²	80	53.5 Å²	53.5	31%	0.314	27%	0.273	S	S	.	.			trans	-51.4	127.9	179.4	173.2	-103.9	0	0	0	112.5	Y49 V81 V84 L97 E100	Y49-Y76 AromaticContact CD1-CD2 3.92Å; Y49-Y76 HydrophobicContact CD1-CD2 3.92Å; Y49-Y76 HydrophobicContact CD1-CG 4.24Å; Y49-Y76 HydrophobicContact CE1-CD2 4.44Å; Y49-Y76 HydrophobicContact CE1-CG 4.36Å; Y49-Y76 HydrophobicContact CG-CD2 4.3Å; Y76-V81 HydrophobicContact CD2-CG2 4.19Å; Y76-V84 HydrophobicContact CD2-CG2 4.41Å; Y76-V84 HydrophobicContact CE2-CG2 4.26Å; Y76-L97 HydrophobicContact CD2-CD2 4.43Å; Y76-L97 HydrophobicContact CE1-CD2 4.06Å; Y76-L97 HydrophobicContact CE2-CD2 3.65Å; Y76-L97 VanDerWaalsContact CZ-CD2 3.42Å; Y76-L97 VanDerWaalsContact OH-CD2 3.3Å; Y76-L97 WeakPolarHBondContact OH-CD2 3.35Å; Y76-E100 PolarHBondContact OH-OE1 2.7Å; Y76-E100 VanDerWaalsContact OH-OE1 3.04Å
77	S	81.5	Confident	88.1	Confident	42 Å²	42	54.2 Å²	54.2	29%	0.294	28%	0.282	S	S	.	.			trans	-141.4	121.4	171.2	177.9	0	0	0	0	109.1	Y75 S79 A80 V81	Y75-S77 PolarHBondContact O-N 3.04Å; S77-S79 PolarHBondContact O-N 3.32Å; S77-S79 VanDerWaalsContact O-N 3.1Å; S77-S79 PolarHBondContact OG-OG 3.31Å; S77-A80 PolarHBondContact O-N 3.02Å; S77-V81 WeakPolarHBondContact O-CG2 3.42Å; S77-V81 PolarHBondContact O-N 3.16Å
78	R	78.2	Confident	87.9	Confident	171 Å²	171	59 Å²	59	65%	0.645	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-16	-177.7	-159.9	-176.9	-171.4	-169.4	3	113.8	D99	R78-D99 IonicContact CZ-OD2 3.87Å; R78-D99 IonicContact NE-OD2 2.77Å; R78-D99 PolarHBondContact NE-OD2 3.36Å; R78-D99 IonicContact NH2-OD1 3.14Å; R78-D99 IonicContact NH2-OD2 3.02Å; R78-D99 PolarHBondContact NH2-OD2 3Å
79	S	80.6	Confident	87.5	Confident	115 Å²	115	57.9 Å²	57.9	80%	0.804	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-7.4	175.9	58	0	0	0	0	114.3	S77	S77-S79 PolarHBondContact O-N 3.32Å; S77-S79 VanDerWaalsContact O-N 3.1Å; S77-S79 PolarHBondContact OG-OG 3.31Å
80	A	82.9	Confident	87.1	Confident	41 Å²	41	59.9 Å²	59.9	34%	0.339	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-15.8	-173.9	0	0	0	0	0	114.2	S47 S77	S47-A80 WeakPolarHBondContact CB-O 3.4Å; S47-A80 PolarHBondContact OG-O 3.2Å; S77-A80 PolarHBondContact O-N 3.02Å
81	V	89.7	Confident	86.3	Confident	10 Å²	10	61.8 Å²	61.8	6%	0.061	31%	0.306	C	S	.	.			trans	-93.6	140.9	175.2	176.8	0	0	0	0	109.1	Q73 Y76 S77 H83 V84	Q73-V81 HydrophobicContact CB-CG2 4.14Å; Q73-V81 HydrophobicContact CG-CG2 4.13Å; Y76-V81 HydrophobicContact CD2-CG2 4.19Å; S77-V81 WeakPolarHBondContact O-CG2 3.42Å; S77-V81 PolarHBondContact O-N 3.16Å; V81-H83 VanDerWaalsContact CG1-O 3.26Å; V81-H83 WeakPolarHBondContact CG1-O 3.49Å; V81-V84 HydrophobicContact CG1-CG2 3.83Å
82	T	92.4	Very high	85.7	Confident	50 Å²	50	55.2 Å²	55.2	31%	0.307	29%	0.291	S	S	.	.	S	Bend	trans	-114.4	-21.6	172.8	67.8	0	0	0	0	113.4	S47 K101	S47-T82 PolarHBondContact N-OG1 2.93Å; S47-T82 PolarHBondContact O-N 3Å; S47-T82 PolarHBondContact O-OG1 3.18Å; T82-K101 WeakPolarHBondContact O-CD 3.46Å
83	H	94.2	Very high	85	Confident	11 Å²	11	56.7 Å²	56.7	5%	0.051	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	143	173.9	-54.4	75.7	0	0	0	111.1	V46 S47 I48 Y49 V81 K101 W107	V46-H83 WeakPolarHBondContact CG1-ND1 3.44Å; S47-H83 PolarHBondContact O-N 3.38Å; S47-H83 VanDerWaalsContact O-N 3.11Å; I48-H83 WeakPolarHBondContact CA-O 3.38Å; I48-H83 HydrophobicContact CG1-CB 4.42Å; Y49-H83 PolarHBondContact N-O 3.23Å; Y49-H83 VanDerWaalsContact N-O 3.14Å; V81-H83 VanDerWaalsContact CG1-O 3.26Å; V81-H83 WeakPolarHBondContact CG1-O 3.49Å; H83-K101 HydrophobicContact CB-CB 4.48Å; H83-K101 WeakPolarHBondContact CD2-CD 3.18Å; H83-K101 WeakPolarHBondContact NE2-CD 3.5Å; H83-K101 PolarHBondContact NE2-NZ 2.97Å; H83-W107 HydrophobicContact CB-CH2 4.41Å; H83-W107 HydrophobicContact CB-CZ3 3.88Å; H83-W107 AromaticContact CD2-CH2 3.5Å; H83-W107 AromaticContact CD2-CZ3 3.71Å; H83-W107 AromaticContact CE1-CH2 3.69Å; H83-W107 AromaticContact CG-CH2 3.66Å; H83-W107 AromaticContact CG-CZ3 3.63Å; H83-W107 AromaticContact ND1-CH2 3.76Å; H83-W107 AromaticContact NE2-CH2 3.58Å
84	V	93.6	Very high	84.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.1	179.4	173.4	0	0	0	0	109.6	Y49 N51 Y76 V81 L97 K101 L102 V103	Y49-V84 HydrophobicContact CD1-CG1 4.19Å; Y49-V84 HydrophobicContact CD1-CG2 4.4Å; Y49-V84 WeakPolarHBondContact O-CA 3.48Å; N51-V84 HydrophobicContact CB-CG1 3.91Å; Y76-V84 HydrophobicContact CD2-CG2 4.41Å; Y76-V84 HydrophobicContact CE2-CG2 4.26Å; V81-V84 HydrophobicContact CG1-CG2 3.83Å; V84-L97 HydrophobicContact CG1-CD1 4.41Å; V84-K101 PolarHBondContact N-O 3.45Å; V84-L102 HydrophobicContact CB-CD2 4.01Å; V84-L102 HydrophobicContact CG1-CD2 3.85Å; V84-V103 PolarHBondContact O-N 3.22Å
85	I	94.7	Very high	84.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.7	-174.9	-51.6	-63.7	0	0	0	110.9	I48 Y49 V50 N51 T54 L61 V103 A105 W107 I108	I48-I85 HydrophobicContact CG2-CG1 3.54Å; Y49-I85 PolarHBondContact O-N 3.48Å; V50-I85 HydrophobicContact CG2-CB 4.26Å; N51-I85 PolarHBondContact N-O 2.81Å; T54-I85 HydrophobicContact CG2-CG2 3.98Å; L61-I85 HydrophobicContact CD1-CG2 4.11Å; I85-V103 WeakPolarHBondContact CA-O 3.49Å; I85-V103 HydrophobicContact CD1-CB 4.02Å; I85-A105 HydrophobicContact CG2-CB 3.83Å; I85-W107 HydrophobicContact CD1-CE3 4.06Å; I85-I108 HydrophobicContact CD1-CD1 4Å; I85-I108 HydrophobicContact CG1-CD1 3.93Å
86	A	92.6	Very high	83.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.306	C	S	.	.			trans	-154.8	165.2	170.7	0	0	0	0	0	111.3	L89 V103 L125	A86-L89 HydrophobicContact CB-CD2 3.75Å; A86-L89 HydrophobicContact CB-CG 3.97Å; A86-V103 PolarHBondContact N-O 3.48Å; A86-L125 HydrophobicContact CB-CD1 3.95Å; A86-L125 WeakPolarHBondContact O-CD1 3.5Å; A86-L125 WeakPolarHBondContact O-CD2 3.46Å
87	S	90.6	Very high	83.6	Confident	53 Å²	53	56.1 Å²	56.1	37%	0.371	29%	0.293	S	S	.	.	S	Bend	trans	-92.1	-26.8	161.8	-59.3	0	0	0	0	113	Y53 T54	Y53-S87 PolarHBondContact O-N 2.98Å; Y53-S87 VanDerWaalsContact O-N 3.07Å; Y53-S87 PolarHBondContact O-OG 2.83Å; T54-S87 WeakPolarHBondContact CA-OG 3.3Å
88	R	85.1	Confident	83	Confident	205 Å²	205	56.1 Å²	56.1	77%	0.774	29%	0.293	S	S	*	.			trans	-166.9	133.1	176.6	-169.7	171	-66.6	175.8	-0.2	110.7
89	L	83.4	Confident	83	Confident	10 Å²	10	51.7 Å²	51.7	5%	0.052	28%	0.283	C	S	.	.			trans	-104.9	145.7	175.6	-68.4	-176.4	0	0	0	113.1	N51 A86 K93 I94 L97 L102 Y126	N51-L89 HydrophobicContact CB-CD2 4.06Å; N51-L89 VanDerWaalsContact O-CD2 3.3Å; N51-L89 WeakPolarHBondContact O-CD2 3.36Å; A86-L89 HydrophobicContact CB-CD2 3.75Å; A86-L89 HydrophobicContact CB-CG 3.97Å; L89-K93 HydrophobicContact CB-CB 4.41Å; L89-K93 HydrophobicContact CD1-CB 4.5Å; L89-K93 HydrophobicContact CD2-CD 4.39Å; L89-I94 HydrophobicContact CB-CD1 4.49Å; L89-I94 HydrophobicContact CB-CG1 3.78Å; L89-L97 HydrophobicContact CD1-CD1 4Å; L89-L102 HydrophobicContact CD1-CD1 4.32Å; L89-L102 HydrophobicContact CD1-CD2 3.51Å; L89-Y126 HydrophobicContact CB-CE2 4.48Å; L89-Y126 PolarHBondContact N-OH 3.31Å; L89-Y126 VanDerWaalsContact N-OH 3.07Å
90	P	79.3	Confident	83.1	Confident	85 Å²	85	47.6 Å²	47.6	55%	0.552	25%	0.251	S	S	*	.			trans	-58.7	142.6	161.8	-20.5	32.4	0	0	0	110.4	G92 K93 I94	P90-G92 VanDerWaalsContact C-N 3.33Å; P90-G92 PolarHBondContact O-N 3.24Å; P90-K93 WeakPolarHBondContact O-CA 3.34Å; P90-K93 WeakPolarHBondContact O-CB 3.25Å; P90-K93 PolarHBondContact O-N 3.26Å; P90-I94 PolarHBondContact O-N 3.33Å
91	Y	72.9	Confident	83.5	Confident	46 Å²	46	49.3 Å²	49.3	18%	0.18	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-37.3	-169.1	-155.6	-96.3	0	0	0	113.8	K93 I94 N95 L738 N740 A741 L753	Y91-K93 PolarHBondContact O-N 3.36Å; Y91-K93 VanDerWaalsContact O-N 3.17Å; Y91-I94 HydrophobicContact CD2-CD1 3.87Å; Y91-I94 HydrophobicContact CE2-CD1 4.31Å; Y91-I94 WeakPolarHBondContact O-CB 3.25Å; Y91-I94 PolarHBondContact O-N 2.86Å; Y91-N95 VanDerWaalsContact CE1-OD1 3.31Å; Y91-N95 WeakPolarHBondContact CE1-OD1 3.27Å; Y91-N95 PolarHBondContact O-N 3.43Å; Y91-N95 VanDerWaalsContact O-N 3.09Å; Y91-N95 PolarHBondContact O-OD1 3.47Å; Y91-N95 VanDerWaalsContact O-OD1 3.07Å; Y91-L738 HydrophobicContact CD1-CB 3.81Å; Y91-L738 HydrophobicContact CD1-CD1 4.13Å; Y91-L738 HydrophobicContact CE1-CB 4.42Å; Y91-L738 HydrophobicContact CG-CD1 4.4Å; Y91-N740 HydrophobicContact CE1-CB 3.73Å; Y91-N740 WeakPolarHBondContact OH-CB 3.16Å; Y91-N740 PolarHBondContact OH-O 2.78Å; Y91-A741 HydrophobicContact CD1-CB 4.01Å; Y91-A741 HydrophobicContact CE1-CB 3.67Å; Y91-A741 VanDerWaalsContact CE1-N 3.3Å; Y91-L753 HydrophobicContact CD2-CD1 3.74Å; Y91-L753 HydrophobicContact CE2-CD1 4.4Å; Y91-L753 HydrophobicContact CG-CD1 3.98Å
92	G	75.5	Confident	83.5	Confident	34 Å²	34	49.4 Å²	49.4	35%	0.351	25%	0.25	S	S	.	.	H	α-helix	trans	-67.7	-7.5	171.4	0	0	0	0	0	115.9	P90 K96	P90-G92 VanDerWaalsContact C-N 3.33Å; P90-G92 PolarHBondContact O-N 3.24Å; G92-K96 WeakPolarHBondContact O-CG 3.19Å
93	K	77.8	Confident	83.6	Confident	88 Å²	88	47 Å²	47	38%	0.383	24%	0.236	S	C	.	.	H	α-helix	trans	-91	-37.1	163.8	-80.7	-172.9	169.5	-176.6	0	111.6	N51 L89 P90 Y91 N95 K96 L97	N51-K93 PolarHBondContact OD1-NZ 2.66Å; L89-K93 HydrophobicContact CB-CB 4.41Å; L89-K93 HydrophobicContact CD1-CB 4.5Å; L89-K93 HydrophobicContact CD2-CD 4.39Å; P90-K93 WeakPolarHBondContact O-CA 3.34Å; P90-K93 WeakPolarHBondContact O-CB 3.25Å; P90-K93 PolarHBondContact O-N 3.26Å; Y91-K93 PolarHBondContact O-N 3.36Å; Y91-K93 VanDerWaalsContact O-N 3.17Å; K93-N95 VanDerWaalsContact C-N 3.33Å; K93-N95 PolarHBondContact O-N 3.2Å; K93-K96 CarbonylContact O-C 3.54Å; K93-K96 PolarHBondContact O-N 2.81Å; K93-K96 VanDerWaalsContact O-N 3.07Å; K93-L97 HydrophobicContact CB-CD1 4.45Å; K93-L97 WeakPolarHBondContact O-CB 3.5Å; K93-L97 WeakPolarHBondContact O-CG 3.32Å; K93-L97 PolarHBondContact O-N 3.01Å; K93-L97 VanDerWaalsContact O-N 3.14Å
94	I	78.6	Confident	83.5	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.036	24%	0.244	C	C	.	.	H	α-helix	trans	-56.6	-49.6	175.3	-56.5	174.7	0	0	0	109.6	L89 P90 Y91 K96 L97 S98 L102 Y126	L89-I94 HydrophobicContact CB-CD1 4.49Å; L89-I94 HydrophobicContact CB-CG1 3.78Å; P90-I94 PolarHBondContact O-N 3.33Å; Y91-I94 HydrophobicContact CD2-CD1 3.87Å; Y91-I94 HydrophobicContact CE2-CD1 4.31Å; Y91-I94 WeakPolarHBondContact O-CB 3.25Å; Y91-I94 PolarHBondContact O-N 2.86Å; I94-K96 PolarHBondContact O-N 3.37Å; I94-K96 VanDerWaalsContact O-N 3.1Å; I94-L97 CarbonylContact O-C 3.6Å; I94-L97 VanDerWaalsContact O-C 3.31Å; I94-L97 PolarHBondContact O-N 3.42Å; I94-S98 WeakPolarHBondContact O-CA 3.17Å; I94-S98 PolarHBondContact O-N 2.77Å; I94-L102 HydrophobicContact CG2-CD1 4.44Å; I94-Y126 HydrophobicContact CD1-CD1 4.32Å; I94-Y126 HydrophobicContact CD1-CD2 4.21Å; I94-Y126 HydrophobicContact CD1-CE1 3.77Å; I94-Y126 HydrophobicContact CD1-CE2 3.65Å; I94-Y126 VanDerWaalsContact CD1-CZ 3.41Å; I94-Y126 HydrophobicContact CG1-CD2 4.32Å; I94-Y126 HydrophobicContact CG1-CE2 3.79Å; I94-Y126 HydrophobicContact CG2-CD2 4.2Å
95	N	73.5	Confident	83.6	Confident	36 Å²	36	48.4 Å²	48.4	19%	0.193	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.7	179.4	-55	17.4	0	0	0	114.3	Y91 K93 N740	Y91-N95 VanDerWaalsContact CE1-OD1 3.31Å; Y91-N95 WeakPolarHBondContact CE1-OD1 3.27Å; Y91-N95 PolarHBondContact O-N 3.43Å; Y91-N95 VanDerWaalsContact O-N 3.09Å; Y91-N95 PolarHBondContact O-OD1 3.47Å; Y91-N95 VanDerWaalsContact O-OD1 3.07Å; K93-N95 VanDerWaalsContact C-N 3.33Å; K93-N95 PolarHBondContact O-N 3.2Å; N95-N740 PolarHBondContact ND2-OD1 2.92Å
96	K	77.4	Confident	83.6	Confident	166 Å²	166	51.3 Å²	51.3	72%	0.722	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-1.6	176	-73.2	-170.6	174.6	-164.2	0	113.1	G92 K93 I94	G92-K96 WeakPolarHBondContact O-CG 3.19Å; K93-K96 CarbonylContact O-C 3.54Å; K93-K96 PolarHBondContact O-N 2.81Å; K93-K96 VanDerWaalsContact O-N 3.07Å; I94-K96 PolarHBondContact O-N 3.37Å; I94-K96 VanDerWaalsContact O-N 3.1Å
97	L	81.5	Confident	83.8	Confident	8 Å²	8	51.5 Å²	51.5	4%	0.042	26%	0.264	C	S	.	.	S	Bend	trans	-139.4	25.2	-175.8	-59.4	171.3	0	0	0	109.5	N51 Y76 V84 L89 K93 I94 D99 E100 L102	N51-L97 WeakPolarHBondContact ND2-CD1 3.24Å; Y76-L97 HydrophobicContact CD2-CD2 4.43Å; Y76-L97 HydrophobicContact CE1-CD2 4.06Å; Y76-L97 HydrophobicContact CE2-CD2 3.65Å; Y76-L97 VanDerWaalsContact CZ-CD2 3.42Å; Y76-L97 VanDerWaalsContact OH-CD2 3.3Å; Y76-L97 WeakPolarHBondContact OH-CD2 3.35Å; V84-L97 HydrophobicContact CG1-CD1 4.41Å; L89-L97 HydrophobicContact CD1-CD1 4Å; K93-L97 HydrophobicContact CB-CD1 4.45Å; K93-L97 WeakPolarHBondContact O-CB 3.5Å; K93-L97 WeakPolarHBondContact O-CG 3.32Å; K93-L97 PolarHBondContact O-N 3.01Å; K93-L97 VanDerWaalsContact O-N 3.14Å; I94-L97 CarbonylContact O-C 3.6Å; I94-L97 VanDerWaalsContact O-C 3.31Å; I94-L97 PolarHBondContact O-N 3.42Å; L97-D99 VanDerWaalsContact C-N 3.29Å; L97-E100 HydrophobicContact CB-CB 4.15Å; L97-E100 HydrophobicContact CB-CG 4.37Å; L97-E100 HydrophobicContact CD2-CG 4Å; L97-E100 WeakPolarHBondContact O-CB 3.41Å; L97-E100 PolarHBondContact O-N 3.16Å; L97-L102 HydrophobicContact CB-CD1 4.35Å; L97-L102 HydrophobicContact CB-CD2 4.04Å; L97-L102 HydrophobicContact CB-CG 4.45Å; L97-L102 HydrophobicContact CD1-CD2 4.29Å; L97-L102 WeakPolarHBondContact O-CD1 3.44Å
98	S	68.5	Low	84	Confident	43 Å²	43	49 Å²	49	30%	0.301	25%	0.246	S	C	.	.	S	Bend	trans	-78.8	-16.6	-173.9	47.6	0	0	0	0	113.2	I94	I94-S98 WeakPolarHBondContact O-CA 3.17Å; I94-S98 PolarHBondContact O-N 2.77Å
99	D	77.4	Confident	84.5	Confident	78 Å²	78	41.1 Å²	41.1	42%	0.417	22%	0.221	S	C	.	.	S	Bend	trans	-93.7	-10.3	169.7	56	-57.2	0	0	0	112.9	R78 L97	R78-D99 IonicContact CZ-OD2 3.87Å; R78-D99 IonicContact NE-OD2 2.77Å; R78-D99 PolarHBondContact NE-OD2 3.36Å; R78-D99 IonicContact NH2-OD1 3.14Å; R78-D99 IonicContact NH2-OD2 3.02Å; R78-D99 PolarHBondContact NH2-OD2 3Å; L97-D99 VanDerWaalsContact C-N 3.29Å
100	E	83.8	Confident	85.1	Confident	29 Å²	29	42.8 Å²	42.8	14%	0.136	23%	0.23	C	C	.	.	S	Bend	trans	-88.7	152.7	179.9	-71.7	-75.9	-171.1	0	0	111.7	Y76 L97 L102	Y76-E100 PolarHBondContact OH-OE1 2.7Å; Y76-E100 VanDerWaalsContact OH-OE1 3.04Å; L97-E100 HydrophobicContact CB-CB 4.15Å; L97-E100 HydrophobicContact CB-CG 4.37Å; L97-E100 HydrophobicContact CD2-CG 4Å; L97-E100 WeakPolarHBondContact O-CB 3.41Å; L97-E100 PolarHBondContact O-N 3.16Å; E100-L102 PolarHBondContact O-N 2.96Å
101	K	90.6	Very high	85.9	Confident	77 Å²	77	38.7 Å²	38.7	34%	0.335	20%	0.204	S	C	.	.			trans	-75.4	93.3	175.2	-61.7	-179.4	-170.1	165.9	0	110.2	T82 H83 V84 V103 W120	T82-K101 WeakPolarHBondContact O-CD 3.46Å; H83-K101 HydrophobicContact CB-CB 4.48Å; H83-K101 WeakPolarHBondContact CD2-CD 3.18Å; H83-K101 WeakPolarHBondContact NE2-CD 3.5Å; H83-K101 PolarHBondContact NE2-NZ 2.97Å; V84-K101 PolarHBondContact N-O 3.45Å; K101-V103 HydrophobicContact CB-CG2 4.28Å; K101-W120 HydrophobicContact CB-CD2 4.48Å; K101-W120 HydrophobicContact CB-CE3 4.25Å; K101-W120 HydrophobicContact CB-CZ3 4.27Å; K101-W120 HydrophobicContact CD-CD2 4.07Å; K101-W120 HydrophobicContact CD-CG 4.46Å; K101-W120 HydrophobicContact CD-CZ2 4.04Å; K101-W120 HydrophobicContact CG-CD2 4.37Å; K101-W120 HydrophobicContact CG-CE3 4.44Å; K101-W120 HydrophobicContact CG-CH2 4.05Å; K101-W120 HydrophobicContact CG-CZ2 3.96Å; K101-W120 HydrophobicContact CG-CZ3 4.29Å
102	L	90.8	Very high	86.9	Confident	11 Å²	11	38.6 Å²	38.6	6%	0.058	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	106	176.6	-69.4	177	0	0	0	111.2	V84 L89 I94 L97 E100 Q124 L125 Y126	V84-L102 HydrophobicContact CB-CD2 4.01Å; V84-L102 HydrophobicContact CG1-CD2 3.85Å; L89-L102 HydrophobicContact CD1-CD1 4.32Å; L89-L102 HydrophobicContact CD1-CD2 3.51Å; I94-L102 HydrophobicContact CG2-CD1 4.44Å; L97-L102 HydrophobicContact CB-CD1 4.35Å; L97-L102 HydrophobicContact CB-CD2 4.04Å; L97-L102 HydrophobicContact CB-CG 4.45Å; L97-L102 HydrophobicContact CD1-CD2 4.29Å; L97-L102 WeakPolarHBondContact O-CD1 3.44Å; E100-L102 PolarHBondContact O-N 2.96Å; L102-Q124 WeakPolarHBondContact O-CA 3.5Å; L102-L125 HydrophobicContact CB-CB 4.35Å; L102-L125 HydrophobicContact CB-CD1 4.27Å; L102-L125 PolarHBondContact O-N 3Å; L102-Y126 HydrophobicContact CD1-CD2 3.86Å; L102-Y126 HydrophobicContact CD1-CE2 4.33Å
103	V	93.2	Very high	87.7	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.5	-169.4	-161.3	0	0	0	0	111.7	V84 I85 A86 K101 W107 W120 Y123 L125	V84-V103 PolarHBondContact O-N 3.22Å; I85-V103 WeakPolarHBondContact CA-O 3.49Å; I85-V103 HydrophobicContact CD1-CB 4.02Å; A86-V103 PolarHBondContact N-O 3.48Å; K101-V103 HydrophobicContact CB-CG2 4.28Å; V103-W107 HydrophobicContact CB-CE3 4.47Å; V103-W107 HydrophobicContact CG1-CB 3.54Å; V103-W107 HydrophobicContact CG1-CD2 4.01Å; V103-W107 HydrophobicContact CG1-CE3 4.05Å; V103-W107 HydrophobicContact CG1-CG 3.8Å; V103-W120 HydrophobicContact CG1-CB 4.42Å; V103-W120 HydrophobicContact CG2-CB 4.26Å; V103-W120 HydrophobicContact CG2-CE3 3.99Å; V103-Y123 CarbonylContact C-O 3.56Å; V103-Y123 WeakPolarHBondContact CA-O 3.29Å; V103-Y123 VanDerWaalsContact CG1-CB 3.41Å; V103-Y123 WeakPolarHBondContact CG1-O 3.36Å; V103-L125 WeakPolarHBondContact O-CD1 3.36Å
104	T	93.6	Very high	88.4	Confident	37 Å²	37	43.1 Å²	43.1	23%	0.227	23%	0.227	C	C	.	.			trans	-72.1	158.3	170.8	58.7	0	0	0	0	111.9	T106 W107 Y123 L125	T104-T106 PolarHBondContact O-N 3.26Å; T104-T106 PolarHBondContact OG1-OG1 3.42Å; T104-W107 PolarHBondContact O-N 3.04Å; T104-Y123 PolarHBondContact N-O 2.86Å; T104-Y123 PolarHBondContact OG1-O 3Å; T104-L125 HydrophobicContact CG2-CD2 3.76Å; T104-L125 HydrophobicContact CG2-CG 4.12Å
105	A	95.2	Very high	89	Confident	4 Å²	4	45.7 Å²	45.7	3%	0.033	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.8	176.1	0	0	0	0	0	113.4	T54 D55 L61 I85 W107 I108	T54-A105 HydrophobicContact CG2-CB 4.42Å; D55-A105 VanDerWaalsContact O-CB 3.29Å; D55-A105 WeakPolarHBondContact O-CB 3.11Å; L61-A105 HydrophobicContact CD1-CB 4.01Å; L61-A105 HydrophobicContact CD2-CB 4.36Å; I85-A105 HydrophobicContact CG2-CB 3.83Å; A105-W107 PolarHBondContact O-N 3.48Å; A105-I108 PolarHBondContact O-N 2.87Å; A105-I108 VanDerWaalsContact O-N 3.08Å
106	T	94.2	Very high	89.9	Confident	61 Å²	61	50.4 Å²	50.4	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-60.2	-28.1	177.7	46.4	0	0	0	0	113.4	T104 I108 T109 D110 Y123	T104-T106 PolarHBondContact O-N 3.26Å; T104-T106 PolarHBondContact OG1-OG1 3.42Å; T106-I108 PolarHBondContact O-N 2.92Å; T106-T109 VanDerWaalsContact CA-OG1 3.31Å; T106-T109 WeakPolarHBondContact CA-OG1 3.46Å; T106-T109 PolarHBondContact O-N 2.69Å; T106-T109 VanDerWaalsContact O-N 3.15Å; T106-T109 PolarHBondContact O-OG1 3.26Å; T106-D110 VanDerWaalsContact O-CB 3.31Å; T106-D110 WeakPolarHBondContact O-CB 3.47Å; T106-D110 PolarHBondContact O-N 3.4Å; T106-Y123 WeakPolarHBondContact OG1-CD1 3.42Å
107	W	96.1	Very high	90.6	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.011	26%	0.26	C	S	.	.	H	α-helix	trans	-54.3	-31.7	173.9	179.2	51.3	0	0	0	113.5	V46 I48 H83 I85 V103 T104 A105 S111 L117 L118 W120 Y123	V46-W107 HydrophobicContact CG1-CH2 3.95Å; V46-W107 HydrophobicContact CG1-CZ3 4.37Å; I48-W107 HydrophobicContact CD1-CZ3 4.44Å; H83-W107 HydrophobicContact CB-CH2 4.41Å; H83-W107 HydrophobicContact CB-CZ3 3.88Å; H83-W107 AromaticContact CD2-CH2 3.5Å; H83-W107 AromaticContact CD2-CZ3 3.71Å; H83-W107 AromaticContact CE1-CH2 3.69Å; H83-W107 AromaticContact CG-CH2 3.66Å; H83-W107 AromaticContact CG-CZ3 3.63Å; H83-W107 AromaticContact ND1-CH2 3.76Å; H83-W107 AromaticContact NE2-CH2 3.58Å; I85-W107 HydrophobicContact CD1-CE3 4.06Å; V103-W107 HydrophobicContact CB-CE3 4.47Å; V103-W107 HydrophobicContact CG1-CB 3.54Å; V103-W107 HydrophobicContact CG1-CD2 4.01Å; V103-W107 HydrophobicContact CG1-CE3 4.05Å; V103-W107 HydrophobicContact CG1-CG 3.8Å; T104-W107 PolarHBondContact O-N 3.04Å; A105-W107 PolarHBondContact O-N 3.48Å; W107-S111 VanDerWaalsContact O-CB 3.22Å; W107-S111 WeakPolarHBondContact O-CB 3.04Å; W107-S111 PolarHBondContact O-N 3.36Å; W107-S111 PolarHBondContact O-OG 2.97Å; W107-L117 HydrophobicContact CH2-CD1 4.35Å; W107-L117 HydrophobicContact CZ2-CD1 3.65Å; W107-L117 HydrophobicContact CZ2-CG 4.27Å; W107-L118 PolarHBondContact NE1-O 3.25Å; W107-W120 HydrophobicContact CD2-CB 4.19Å; W107-W120 HydrophobicContact CZ2-CB 3.98Å; W107-Y123 HydrophobicContact CB-CD1 4.02Å; W107-Y123 HydrophobicContact CB-CD2 3.95Å; W107-Y123 HydrophobicContact CB-CG 3.63Å; W107-Y123 AromaticContact CD1-CD2 3.54Å; W107-Y123 AromaticContact CD1-CE2 3.96Å; W107-Y123 HydrophobicContact CG-CD2 4.07Å; W107-Y123 HydrophobicContact CG-CG 4.22Å
108	I	95.6	Very high	91.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-78.9	-47.4	178.8	-64.6	161.9	0	0	0	110.7	F43 I48 L61 L64 I65 I85 A105 T106 I112	F43-I108 HydrophobicContact CE2-CG2 4.18Å; F43-I108 HydrophobicContact CZ-CB 4.35Å; F43-I108 HydrophobicContact CZ-CG1 4.49Å; F43-I108 HydrophobicContact CZ-CG2 3.95Å; I48-I108 HydrophobicContact CD1-CD1 4.26Å; L61-I108 HydrophobicContact CD2-CB 4.46Å; L61-I108 HydrophobicContact CD2-CD1 4.07Å; L61-I108 HydrophobicContact CD2-CG2 4.44Å; L64-I108 HydrophobicContact CB-CG2 4.37Å; I65-I108 HydrophobicContact CD1-CD1 3.9Å; I65-I108 HydrophobicContact CG1-CD1 4.07Å; I65-I108 HydrophobicContact CG1-CG2 4.42Å; I85-I108 HydrophobicContact CD1-CD1 4Å; I85-I108 HydrophobicContact CG1-CD1 3.93Å; A105-I108 PolarHBondContact O-N 2.87Å; A105-I108 VanDerWaalsContact O-N 3.08Å; T106-I108 PolarHBondContact O-N 2.92Å; I108-I112 HydrophobicContact CG2-CD1 3.97Å; I108-I112 WeakPolarHBondContact O-CD1 3.47Å; I108-I112 VanDerWaalsContact O-CG1 3.26Å; I108-I112 WeakPolarHBondContact O-CG1 3.35Å; I108-I112 PolarHBondContact O-N 3.38Å
109	T	95.6	Very high	92.4	Very high	40 Å²	40	49 Å²	49	25%	0.245	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-49.5	179.6	47.6	0	0	0	0	111.1	P56 T106 S111 I112 E113	P56-T109 HydrophobicContact CG-CG2 3.95Å; T106-T109 VanDerWaalsContact CA-OG1 3.31Å; T106-T109 WeakPolarHBondContact CA-OG1 3.46Å; T106-T109 PolarHBondContact O-N 2.69Å; T106-T109 VanDerWaalsContact O-N 3.15Å; T106-T109 PolarHBondContact O-OG1 3.26Å; T109-S111 VanDerWaalsContact C-N 3.32Å; T109-S111 PolarHBondContact O-N 3.08Å; T109-I112 WeakPolarHBondContact O-CB 3.5Å; T109-I112 PolarHBondContact O-N 2.86Å; T109-I112 VanDerWaalsContact O-N 3.09Å; T109-E113 PolarHBondContact O-N 3.11Å
110	D	96	Very high	93.1	Very high	45 Å²	45	47.9 Å²	47.9	24%	0.241	26%	0.264	C	S	.	.	H	α-helix	trans	-69.8	-31.2	-173.6	-55.5	20.4	0	0	0	111.2	T106 A114 L118 Y123	T106-D110 VanDerWaalsContact O-CB 3.31Å; T106-D110 WeakPolarHBondContact O-CB 3.47Å; T106-D110 PolarHBondContact O-N 3.4Å; D110-A114 WeakPolarHBondContact O-CB 3.47Å; D110-A114 PolarHBondContact O-N 3.13Å; D110-L118 HydrophobicContact CB-CD1 3.71Å; D110-L118 WeakPolarHBondContact O-CD1 3.2Å; D110-Y123 HydrophobicContact CB-CE1 4.31Å; D110-Y123 WeakPolarHBondContact CB-OH 3.47Å; D110-Y123 WeakPolarHBondContact OD2-CE1 3.29Å; D110-Y123 VanDerWaalsContact OD2-CZ 3.3Å; D110-Y123 PolarHBondContact OD2-OH 3.19Å
111	S	95.8	Very high	93.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-70.9	-31.4	173	-63.1	0	0	0	0	112.9	L42 W107 T109 G115 K116 L118	L42-S111 WeakPolarHBondContact CD2-O 3.37Å; W107-S111 VanDerWaalsContact O-CB 3.22Å; W107-S111 WeakPolarHBondContact O-CB 3.04Å; W107-S111 PolarHBondContact O-N 3.36Å; W107-S111 PolarHBondContact O-OG 2.97Å; T109-S111 VanDerWaalsContact C-N 3.32Å; T109-S111 PolarHBondContact O-N 3.08Å; S111-G115 PolarHBondContact O-N 3.43Å; S111-K116 WeakPolarHBondContact CA-O 3.36Å; S111-K116 PolarHBondContact O-N 2.87Å; S111-K116 VanDerWaalsContact O-N 3.11Å; S111-K116 VanDerWaalsContact O-O 3.14Å; S111-L118 PolarHBondContact OG-N 3.42Å
112	I	94.5	Very high	93.4	Very high	43 Å²	43	53.8 Å²	53.8	22%	0.221	30%	0.298	C	S	.	.	H	α-helix	trans	-72.7	-47.3	174.5	-68.1	164.9	0	0	0	109.4	L42 F43 L64 I108 T109 G115	L42-I112 HydrophobicContact CD2-CB 4.34Å; L42-I112 HydrophobicContact CD2-CG1 3.7Å; F43-I112 HydrophobicContact CE2-CD1 4.03Å; F43-I112 HydrophobicContact CE2-CG1 3.83Å; F43-I112 HydrophobicContact CZ-CD1 4.49Å; F43-I112 HydrophobicContact CZ-CG1 4.14Å; L64-I112 HydrophobicContact CB-CD1 3.92Å; L64-I112 HydrophobicContact CD1-CD1 4.36Å; L64-I112 HydrophobicContact CD2-CD1 4.12Å; L64-I112 HydrophobicContact CG-CD1 4.36Å; I108-I112 HydrophobicContact CG2-CD1 3.97Å; I108-I112 WeakPolarHBondContact O-CD1 3.47Å; I108-I112 VanDerWaalsContact O-CG1 3.26Å; I108-I112 WeakPolarHBondContact O-CG1 3.35Å; I108-I112 PolarHBondContact O-N 3.38Å; T109-I112 WeakPolarHBondContact O-CB 3.5Å; T109-I112 PolarHBondContact O-N 2.86Å; T109-I112 VanDerWaalsContact O-N 3.09Å; I112-G115 PolarHBondContact O-N 3.03Å; I112-G115 VanDerWaalsContact O-N 3.09Å
113	E	92.7	Very high	93.5	Very high	170 Å²	170	55 Å²	55	79%	0.794	30%	0.302	S	S	*	.	H	α-helix	trans	-62.2	-42.6	178.1	-174.5	173.3	-165.2	0	0	112.3	T109 G115	T109-E113 PolarHBondContact O-N 3.11Å; E113-G115 PolarHBondContact O-N 3.29Å
114	A	92.3	Very high	93.3	Very high	47 Å²	47	57.5 Å²	57.5	39%	0.388	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-2.4	175.3	0	0	0	0	0	114.2	D110 K116 L118	D110-A114 WeakPolarHBondContact O-CB 3.47Å; D110-A114 PolarHBondContact O-N 3.13Å; A114-K116 HydrophobicContact CB-CG 4.28Å; A114-K116 PolarHBondContact O-N 3.3Å; A114-K116 VanDerWaalsContact O-N 3.08Å; A114-L118 HydrophobicContact CB-CD1 4.23Å; A114-L118 HydrophobicContact CB-CD2 4.04Å; A114-L118 HydrophobicContact CB-CG 4.3Å
115	G	91.3	Very high	92.8	Very high	61 Å²	61	57.2 Å²	57.2	63%	0.629	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	9.7	-178.1	0	0	0	0	0	115.5	S111 I112 E113	S111-G115 PolarHBondContact O-N 3.43Å; I112-G115 PolarHBondContact O-N 3.03Å; I112-G115 VanDerWaalsContact O-N 3.09Å; E113-G115 PolarHBondContact O-N 3.29Å
116	K	92.6	Very high	92.2	Very high	135 Å²	135	59.7 Å²	59.7	59%	0.587	32%	0.319	S	S	*	.	S	Bend	trans	-151.7	146.2	-172.7	71.2	-167.2	175.4	-172.6	0	111.1	L42 S111 A114 L118	L42-K116 VanDerWaalsContact CD1-C 3.46Å; S111-K116 WeakPolarHBondContact CA-O 3.36Å; S111-K116 PolarHBondContact O-N 2.87Å; S111-K116 VanDerWaalsContact O-N 3.11Å; S111-K116 VanDerWaalsContact O-O 3.14Å; A114-K116 HydrophobicContact CB-CG 4.28Å; A114-K116 PolarHBondContact O-N 3.3Å; A114-K116 VanDerWaalsContact O-N 3.08Å; K116-L118 HydrophobicContact CG-CD2 4.22Å; K116-L118 PolarHBondContact O-N 2.79Å; K116-L118 VanDerWaalsContact O-N 3.1Å
117	L	92.2	Very high	90.8	Very high	82 Å²	82	61.3 Å²	61.3	43%	0.429	33%	0.331	S	S	.	.			trans	-67.7	110.6	-177.7	-170.3	64.8	0	0	0	110.6	L42 F43 V46 W107	L42-L117 HydrophobicContact CD1-CB 4.36Å; F43-L117 HydrophobicContact CD1-CD1 3.53Å; F43-L117 HydrophobicContact CE1-CD1 3.49Å; F43-L117 VanDerWaalsContact CE1-CD1 3.49Å; V46-L117 HydrophobicContact CG2-CD2 4.26Å; W107-L117 HydrophobicContact CH2-CD1 4.35Å; W107-L117 HydrophobicContact CZ2-CD1 3.65Å; W107-L117 HydrophobicContact CZ2-CG 4.27Å
118	L	94.1	Very high	88.8	Confident	35 Å²	35	67.6 Å²	67.6	18%	0.183	37%	0.37	C	S	.	.			trans	-77.7	157.3	-177	-63.9	178.4	0	0	0	112	W107 D110 S111 A114 K116 W120 Y123	W107-L118 PolarHBondContact NE1-O 3.25Å; D110-L118 HydrophobicContact CB-CD1 3.71Å; D110-L118 WeakPolarHBondContact O-CD1 3.2Å; S111-L118 PolarHBondContact OG-N 3.42Å; A114-L118 HydrophobicContact CB-CD1 4.23Å; A114-L118 HydrophobicContact CB-CD2 4.04Å; A114-L118 HydrophobicContact CB-CG 4.3Å; K116-L118 HydrophobicContact CG-CD2 4.22Å; K116-L118 PolarHBondContact O-N 2.79Å; K116-L118 VanDerWaalsContact O-N 3.1Å; L118-W120 PolarHBondContact O-N 3.13Å; L118-W120 VanDerWaalsContact O-N 3.09Å; L118-Y123 HydrophobicContact CB-CE2 4.09Å; L118-Y123 HydrophobicContact CD1-CE2 4.27Å; L118-Y123 WeakPolarHBondContact CD1-OH 3.41Å
119	P	92.6	Very high	86.6	Confident	70 Å²	70	70.6 Å²	70.6	46%	0.455	38%	0.383	S	S	.	.			trans	-63.1	110.9	176.2	-22.3	34.4	0	0	0	112	Q121 N122	P119-Q121 PolarHBondContact O-N 3.11Å; P119-N122 WeakPolarHBondContact O-CB 3.28Å; P119-N122 PolarHBondContact O-N 3.08Å; P119-N122 VanDerWaalsContact O-N 3.08Å
120	W	92.3	Very high	84	Confident	55 Å²	55	79.8 Å²	79.8	21%	0.208	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-56.8	-23.1	-178.2	71.2	-91.5	0	0	0	113.7	K101 V103 W107 L118 N122 Y123 Q124	K101-W120 HydrophobicContact CB-CD2 4.48Å; K101-W120 HydrophobicContact CB-CE3 4.25Å; K101-W120 HydrophobicContact CB-CZ3 4.27Å; K101-W120 HydrophobicContact CD-CD2 4.07Å; K101-W120 HydrophobicContact CD-CG 4.46Å; K101-W120 HydrophobicContact CD-CZ2 4.04Å; K101-W120 HydrophobicContact CG-CD2 4.37Å; K101-W120 HydrophobicContact CG-CE3 4.44Å; K101-W120 HydrophobicContact CG-CH2 4.05Å; K101-W120 HydrophobicContact CG-CZ2 3.96Å; K101-W120 HydrophobicContact CG-CZ3 4.29Å; V103-W120 HydrophobicContact CG1-CB 4.42Å; V103-W120 HydrophobicContact CG2-CB 4.26Å; V103-W120 HydrophobicContact CG2-CE3 3.99Å; W107-W120 HydrophobicContact CD2-CB 4.19Å; W107-W120 HydrophobicContact CZ2-CB 3.98Å; L118-W120 PolarHBondContact O-N 3.13Å; L118-W120 VanDerWaalsContact O-N 3.09Å; W120-N122 PolarHBondContact O-N 3.08Å; W120-Y123 CarbonylContact O-C 3.59Å; W120-Y123 WeakPolarHBondContact O-CA 3.39Å; W120-Y123 WeakPolarHBondContact O-CB 3.47Å; W120-Y123 PolarHBondContact O-N 2.97Å; W120-Q124 HydrophobicContact CZ3-CB 4.26Å; W120-Q124 HydrophobicContact CZ3-CG 4.17Å; W120-Q124 PolarHBondContact O-N 3.02Å
121	Q	90.7	Very high	81.1	Confident	104 Å²	104	82 Å²	82	49%	0.486	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-60.6	-32.8	178.1	-62.4	89	-22.9	0	0	112.3	P119 Y123 Q124	P119-Q121 PolarHBondContact O-N 3.11Å; Q121-Y123 PolarHBondContact O-N 3.26Å; Q121-Q124 WeakPolarHBondContact O-CB 3.46Å; Q121-Q124 PolarHBondContact O-N 2.95Å
122	N	89.9	Confident	78	Confident	127 Å²	127	85.1 Å²	85.1	68%	0.679	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-68	-15.1	176.2	-63.1	0.3	0	0	0	112.3	P119 W120	P119-N122 WeakPolarHBondContact O-CB 3.28Å; P119-N122 PolarHBondContact O-N 3.08Å; P119-N122 VanDerWaalsContact O-N 3.08Å; W120-N122 PolarHBondContact O-N 3.08Å
123	Y	92.9	Very high	74.9	Confident	36 Å²	36	90.5 Å²	90.5	14%	0.141	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-116	12.6	-174.9	-62.5	-84.1	0	0	0	112.2	V103 T104 T106 W107 D110 L118 W120 Q121 L125	V103-Y123 CarbonylContact C-O 3.56Å; V103-Y123 WeakPolarHBondContact CA-O 3.29Å; V103-Y123 VanDerWaalsContact CG1-CB 3.41Å; V103-Y123 WeakPolarHBondContact CG1-O 3.36Å; T104-Y123 PolarHBondContact N-O 2.86Å; T104-Y123 PolarHBondContact OG1-O 3Å; T106-Y123 WeakPolarHBondContact OG1-CD1 3.42Å; W107-Y123 HydrophobicContact CB-CD1 4.02Å; W107-Y123 HydrophobicContact CB-CD2 3.95Å; W107-Y123 HydrophobicContact CB-CG 3.63Å; W107-Y123 AromaticContact CD1-CD2 3.54Å; W107-Y123 AromaticContact CD1-CE2 3.96Å; W107-Y123 HydrophobicContact CG-CD2 4.07Å; W107-Y123 HydrophobicContact CG-CG 4.22Å; D110-Y123 HydrophobicContact CB-CE1 4.31Å; D110-Y123 WeakPolarHBondContact CB-OH 3.47Å; D110-Y123 WeakPolarHBondContact OD2-CE1 3.29Å; D110-Y123 VanDerWaalsContact OD2-CZ 3.3Å; D110-Y123 PolarHBondContact OD2-OH 3.19Å; L118-Y123 HydrophobicContact CB-CE2 4.09Å; L118-Y123 HydrophobicContact CD1-CE2 4.27Å; L118-Y123 WeakPolarHBondContact CD1-OH 3.41Å; W120-Y123 CarbonylContact O-C 3.59Å; W120-Y123 WeakPolarHBondContact O-CA 3.39Å; W120-Y123 WeakPolarHBondContact O-CB 3.47Å; W120-Y123 PolarHBondContact O-N 2.97Å; Q121-Y123 PolarHBondContact O-N 3.26Å; Y123-L125 PolarHBondContact O-N 2.9Å
124	Q	89.3	Confident	71.9	Confident	53 Å²	53	85.9 Å²	85.9	25%	0.248	50%	0.498	C	S	.	.	B	Isolated β-bridge	trans	-70.1	119.7	-175.7	-178.1	172.9	-15.7	0	0	111.5	L102 W120 Q121 Y126	L102-Q124 WeakPolarHBondContact O-CA 3.5Å; W120-Q124 HydrophobicContact CZ3-CB 4.26Å; W120-Q124 HydrophobicContact CZ3-CG 4.17Å; W120-Q124 PolarHBondContact O-N 3.02Å; Q121-Q124 WeakPolarHBondContact O-CB 3.46Å; Q121-Q124 PolarHBondContact O-N 2.95Å; Q124-Y126 PolarHBondContact NE2-O 3.35Å; Q124-Y126 PolarHBondContact O-N 3.06Å
125	L	83.6	Confident	68.8	Low	31 Å²	31	92.8 Å²	92.8	16%	0.162	52%	0.522	C	S	.	.	S	Bend	trans	-59.1	-32	-177.8	-81.6	163.2	0	0	0	114.1	A86 L102 V103 T104 Y123	A86-L125 HydrophobicContact CB-CD1 3.95Å; A86-L125 WeakPolarHBondContact O-CD1 3.5Å; A86-L125 WeakPolarHBondContact O-CD2 3.46Å; L102-L125 HydrophobicContact CB-CB 4.35Å; L102-L125 HydrophobicContact CB-CD1 4.27Å; L102-L125 PolarHBondContact O-N 3Å; V103-L125 WeakPolarHBondContact O-CD1 3.36Å; T104-L125 HydrophobicContact CG2-CD2 3.76Å; T104-L125 HydrophobicContact CG2-CG 4.12Å; Y123-L125 PolarHBondContact O-N 2.9Å
126	Y	81.9	Confident	66.1	Low	56 Å²	56	99.3 Å²	99.3	22%	0.22	53%	0.533	C	S	.	.			trans	-139.6	82	-175.1	-55.2	-67.8	0	0	0	110	L89 I94 L102 Q124 T128	L89-Y126 HydrophobicContact CB-CE2 4.48Å; L89-Y126 PolarHBondContact N-OH 3.31Å; L89-Y126 VanDerWaalsContact N-OH 3.07Å; I94-Y126 HydrophobicContact CD1-CD1 4.32Å; I94-Y126 HydrophobicContact CD1-CD2 4.21Å; I94-Y126 HydrophobicContact CD1-CE1 3.77Å; I94-Y126 HydrophobicContact CD1-CE2 3.65Å; I94-Y126 VanDerWaalsContact CD1-CZ 3.41Å; I94-Y126 HydrophobicContact CG1-CD2 4.32Å; I94-Y126 HydrophobicContact CG1-CE2 3.79Å; I94-Y126 HydrophobicContact CG2-CD2 4.2Å; L102-Y126 HydrophobicContact CD1-CD2 3.86Å; L102-Y126 HydrophobicContact CD1-CE2 4.33Å; Q124-Y126 PolarHBondContact NE2-O 3.35Å; Q124-Y126 PolarHBondContact O-N 3.06Å; Y126-T128 PolarHBondContact O-N 3.34Å
127	P	66	Low	63.2	Low	95 Å²	95	99.3 Å²	99.3	62%	0.617	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-12	-173.9	-25.7	36.4	0	0	0	115.8
128	T	54.1	Low	60.3	Low	135 Å²	135	102.7 Å²	102.7	83%	0.828	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-5.2	-168.5	49.1	0	0	0	0	115.2	Y126	Y126-T128 PolarHBondContact O-N 3.34Å
129	H	49.3	Very low	57.4	Low	62 Å²	62	110.8 Å²	110.8	29%	0.287	60%	0.596	S	S	.	*			trans	-92.6	102.6	170.6	-102.3	-58	0	0	0	110.4	N740	H129-N740 PolarHBondContact CE1-ND2 3.49Å; H129-N740 PolarHBondContact NE2-ND2 2.91Å; H129-N740 VanDerWaalsContact NE2-ND2 3.14Å
130	R	40.2	Very low	54.5	Low	233 Å²	233	114.3 Å²	114.3	88%	0.879	61%	0.609	S	S	*	*			trans	-108.1	147.9	156.1	-75.1	-164.5	-179.7	-156.4	2.2	109.8
131	S	35.6	Very low	51.7	Low	91 Å²	91	118.9 Å²	118.9	64%	0.636	64%	0.636	S	S	*	*			trans	-63.5	164.9	-179.9	-51.6	0	0	0	0	112.9
132	G	29.6	Very low	49	Very low	66 Å²	66	118.5 Å²	118.5	68%	0.68	64%	0.643	S	S	*	*	S	Bend	trans	-70.7	178.7	-168.7	0	0	0	0	0	116.6
133	T	29.2	Very low	46.1	Very low	156 Å²	156	119.2 Å²	119.2	96%	0.957	65%	0.652	S	S	*	*			trans	69.3	128	-173.8	71.3	0	0	0	0	114.8
134	G	29.7	Very low	43.3	Very low	73 Å²	73	124.3 Å²	124.3	75%	0.753	68%	0.68	S	S	*	*			trans	117.6	97.6	-178.4	0	0	0	0	0	113.7
135	Q	28.7	Very low	40.6	Very low	192 Å²	192	127.3 Å²	127.3	90%	0.897	70%	0.704	S	S	*	*			trans	-60	134.1	172.3	179.2	-179.4	0.5	0	0	110.8
136	K	34.1	Very low	38.2	Very low	199 Å²	199	131.7 Å²	131.7	87%	0.865	73%	0.732	S	S	*	*			trans	-134.6	131.5	168.9	-70.3	-162.6	174.9	-168.6	0	111.4
137	T	31.7	Very low	35.8	Very low	134 Å²	134	136.1 Å²	136.1	82%	0.822	76%	0.759	S	S	*	*			trans	-71.2	145	-168.7	-29.9	0	0	0	0	112.4	K139	T137-K139 PolarHBondContact O-N 3.49Å
138	L	30.2	Very low	34.2	Very low	154 Å²	154	139.5 Å²	139.5	81%	0.806	77%	0.767	S	S	*	*			trans	-64.4	119.1	172	-73.8	165.5	0	0	0	110.4	I140	L138-I140 HydrophobicContact CB-CG1 4.48Å; L138-I140 PolarHBondContact O-N 3.33Å
139	K	34.8	Very low	33	Very low	204 Å²	204	138.6 Å²	138.6	89%	0.887	76%	0.761	S	S	*	*			trans	-79.9	96.1	158.4	-79.3	-164	172.7	-168.8	0	108.5	T137 I141	T137-K139 PolarHBondContact O-N 3.49Å; K139-I141 PolarHBondContact O-N 3.43Å
140	I	30	Very low	32.2	Very low	144 Å²	144	142.3 Å²	142.3	74%	0.738	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-68.9	121.3	169.4	-58.9	172.9	0	0	0	107.5	L138	L138-I140 HydrophobicContact CB-CG1 4.48Å; L138-I140 PolarHBondContact O-N 3.33Å
141	I	35	Very low	31.7	Very low	151 Å²	151	136 Å²	136	77%	0.774	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-93.6	116.8	164.7	-58.7	177	0	0	0	105.8	K139	K139-I141 PolarHBondContact O-N 3.43Å
142	P	32.9	Very low	31.5	Very low	96 Å²	96	138.4 Å²	138.4	62%	0.623	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-70.6	136.2	-178.9	28.7	-33.7	0	0	0	110.7	I144	P142-I144 PolarHBondContact O-N 3.35Å
143	V	29.4	Very low	31.5	Very low	143 Å²	143	143.7 Å²	143.7	87%	0.867	79%	0.785	S	S	*	*			trans	-79.8	111.1	165.9	177.9	0	0	0	0	107.1
144	I	34.8	Very low	31.5	Very low	142 Å²	142	142.6 Å²	142.6	73%	0.728	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-83.2	129.6	176.2	-55.9	179	0	0	0	108.3	P142	P142-I144 PolarHBondContact O-N 3.35Å
145	P	32.9	Very low	31.5	Very low	116 Å²	116	146.3 Å²	146.3	75%	0.753	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-65.8	163.8	172.7	-19.7	33.1	0	0	0	112.8
146	V	31.8	Very low	31.5	Very low	124 Å²	124	142.6 Å²	142.6	75%	0.752	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-84.5	137.6	170.8	-172.9	0	0	0	0	108.1
147	D	32.3	Very low	31.4	Very low	148 Å²	148	140.3 Å²	140.3	79%	0.791	76%	0.763	S	S	*	*				-176.7	153.1	125.4	-89.6	-25.4	0	0	0	115.3
148	E	31.1	Very low	31.4	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	75%	0.751	S	S	*	*			trans	56.8	107.1	153.2	-68.9	-168.5	162.5	0	0	124.8
149	T	30.2	Very low	31.6	Very low	116 Å²	116	137 Å²	137	71%	0.712	75%	0.746	S	S	*	*			trans	88.5	148	131.3	68.9	0	0	0	0	123.4
150	N	31.7	Very low	31.7	Very low	140 Å²	140	133.3 Å²	133.3	75%	0.749	74%	0.743	S	S	*	*			trans	70.3	89.1	155.2	-69.1	-35.9	0	0	0	122.2
151	S	29.6	Very low	31.6	Very low	99 Å²	99	133.5 Å²	133.5	69%	0.692	74%	0.741	S	S	*	*				69.8	132.7	111.8	-59.6	0	0	0	0	123.3
152	N	31.5	Very low	31.6	Very low	142 Å²	142	133.1 Å²	133.1	76%	0.759	75%	0.745	S	S	*	*			trans	89	105.1	148.2	-65.8	-32.5	0	0	0	122.1
153	K	30.6	Very low	31.5	Very low	178 Å²	178	133.4 Å²	133.4	77%	0.774	75%	0.745	S	S	*	*				77.1	123.8	126.4	-78.2	-173.2	168.9	-173.1	0	122.5
154	L	29.1	Very low	31.5	Very low	132 Å²	132	133.2 Å²	133.2	69%	0.691	74%	0.739	S	S	*	*			trans	67.4	151	139.9	-57.6	166.5	0	0	0	116.5
155	E	30	Very low	31.3	Very low	152 Å²	152	131.8 Å²	131.8	71%	0.71	74%	0.737	S	S	*	*			cis	-144.3	132.3	-0.8	-116.9	142.4	-137.2	0	0	105.9
156	V	29	Very low	31.2	Very low	113 Å²	113	132.9 Å²	132.9	69%	0.685	74%	0.737	S	S	*	*				51.2	111.4	72.2	-173.4	0	0	0	0	114.7	S158	V156-S158 WeakPolarHBondContact CG1-OG 3.22Å
157	V	30.6	Very low	31.1	Very low	152 Å²	152	133.9 Å²	133.9	92%	0.921	74%	0.738	S	S	*	*			trans	-132.4	132.7	159.9	176.3	0	0	0	0	107.5
158	S	32.2	Very low	31.2	Very low	82 Å²	82	133.9 Å²	133.9	57%	0.573	74%	0.738	S	S	*	*			trans	-152.1	152.4	-163.8	-61.7	0	0	0	0	114	V156	V156-S158 WeakPolarHBondContact CG1-OG 3.22Å
159	L	33.9	Very low	31.3	Very low	136 Å²	136	131 Å²	131	71%	0.712	73%	0.734	S	S	*	*			trans	67.3	168.1	153.2	-67.8	159.9	0	0	0	115.4
160	P	36.4	Very low	31.3	Very low	126 Å²	126	132.7 Å²	132.7	82%	0.818	74%	0.738	S	S	*	*				-107.4	152.2	57.9	-5.5	26.8	0	0	0	116
161	H	28.2	Very low	31.3	Very low	149 Å²	149	132.3 Å²	132.3	69%	0.69	74%	0.742	S	S	*	*			trans	-86.6	158.8	153.1	-106.6	-54	0	0	0	109.6
162	V	36	Very low	31.3	Very low	142 Å²	142	135.4 Å²	135.4	86%	0.861	75%	0.75	S	S	*	*			trans	-129.6	145.9	151.1	-179.9	0	0	0	0	107.4
163	T	29.9	Very low	31.1	Very low	102 Å²	102	134.1 Å²	134.1	63%	0.626	75%	0.747	S	S	*	*			trans	-127.1	166.9	-170.1	52.3	0	0	0	0	113.1
164	N	30.5	Very low	31	Very low	139 Å²	139	132.2 Å²	132.2	74%	0.743	75%	0.746	S	S	*	*			trans	107	129.5	153.9	-68.9	-1.9	0	0	0	120.9
165	T	29.6	Very low	30.9	Very low	113 Å²	113	132.3 Å²	132.3	69%	0.693	75%	0.752	S	S	*	*			trans	76.2	106	143.5	47.4	0	0	0	0	122.2
166	N	30.4	Very low	30.7	Very low	138 Å²	138	132.8 Å²	132.8	74%	0.738	75%	0.754	S	S	*	*			trans	86.3	132.7	130.7	-56.6	-5	0	0	0	120
167	N	31	Very low	30.5	Very low	146 Å²	146	133.3 Å²	133.3	78%	0.781	75%	0.752	S	S	*	*			trans	55.5	119.5	162.4	-49.2	-1.2	0	0	0	115.2
168	D	34.2	Very low	30.3	Very low	148 Å²	148	131.4 Å²	131.4	79%	0.791	75%	0.752	S	S	*	*			cis	-155.9	170.5	31.5	-99.8	-45.5	0	0	0	111.5
169	P	32.4	Very low	30	Very low	107 Å²	107	132.6 Å²	132.6	70%	0.695	76%	0.76	S	S	*	*			trans	-86.5	122.5	177.7	32.9	-31.4	0	0	0	112.8
170	N	30.3	Very low	29.6	Very low	150 Å²	150	131.8 Å²	131.8	80%	0.802	77%	0.765	S	S	*	*			trans	-170.5	144.1	135.8	-104.7	-44.4	0	0	0	115.8
171	T	30.9	Very low	29.1	Very low	133 Å²	133	130.9 Å²	130.9	82%	0.816	76%	0.762	S	S	*	*			trans	45.5	118.3	156.4	52.1	0	0	0	0	120.4
172	N	30.1	Very low	29.1	Very low	163 Å²	163	130.6 Å²	130.6	87%	0.872	77%	0.77	S	S	*	*			trans	-96.7	159.4	174.2	-150.2	-12.8	0	0	0	112.3
173	V	28.6	Very low	28.9	Very low	115 Å²	115	132.5 Å²	132.5	70%	0.697	77%	0.769	S	S	*	*			trans	-64.2	135.4	-177.1	178.3	0	0	0	0	112.6
174	N	27	Very low	28.6	Very low	139 Å²	139	137 Å²	137	74%	0.743	78%	0.784	S	S	*	*			trans	-170.8	114.2	141.1	-101.5	-45.7	0	0	0	115.3	E176	N174-E176 PolarHBondContact O-N 2.93Å
175	T	27.4	Very low	28.6	Very low	134 Å²	134	136 Å²	136	82%	0.822	79%	0.788	S	S	*	*			trans	25.6	73.7	131.3	-35.2	0	0	0	0	119.8
176	E	25.1	Very low	28.5	Very low	162 Å²	162	136.4 Å²	136.4	76%	0.757	79%	0.794	S	S	*	*			trans	-135.5	139.5	176.8	-78.5	-154.8	150.1	0	0	118	N174	N174-E176 PolarHBondContact O-N 2.93Å
177	I	25.8	Very low	28.3	Very low	123 Å²	123	135.4 Å²	135.4	63%	0.631	80%	0.799	S	S	*	*			trans	49.3	113.7	136.1	-54.4	170.4	0	0	0	118.9	S179	I177-S179 PolarHBondContact O-N 3.26Å
178	A	26.9	Very low	28.1	Very low	113 Å²	113	134.2 Å²	134.2	93%	0.934	80%	0.801	S	S	*	*			trans	-80.2	90.9	161.5	0	0	0	0	0	111.3
179	S	25.2	Very low	27.8	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	79%	0.79	S	S	*	*			trans	-99.5	142.7	167.7	56.1	0	0	0	0	110.5	I177	I177-S179 PolarHBondContact O-N 3.26Å
180	C	25.5	Very low	27.6	Very low	120 Å²	120	133.9 Å²	133.9	81%	0.811	80%	0.8	S	S	*	*			trans	-113.5	107.4	-177.3	-163.5	0	0	0	0	110.7
181	S	26.6	Very low	27.6	Very low	107 Å²	107	136.2 Å²	136.2	75%	0.748	80%	0.803	S	S	*	*			trans	-0.4	125.3	163.9	57.5	0	0	0	0	120.1
182	T	28.1	Very low	27.4	Very low	143 Å²	143	137.1 Å²	137.1	88%	0.877	80%	0.798	S	S	*	*			trans	-142.8	156.6	140.1	-29.7	0	0	0	0	109.8
183	H	31.6	Very low	27.3	Very low	181 Å²	181	134.9 Å²	134.9	84%	0.838	80%	0.802	S	S	*	*			trans	-75.1	154.5	-170.6	-75.4	-100.3	0	0	0	114.7	S185	H183-S185 PolarHBondContact O-N 3.17Å
184	Q	24.3	Very low	27.3	Very low	198 Å²	198	139.6 Å²	139.6	93%	0.925	81%	0.807	S	S	*	*			trans	-68	119.7	161.3	-69.6	175.5	-24.5	0	0	110.4
185	S	30.2	Very low	27.2	Very low	118 Å²	118	136 Å²	136	83%	0.825	80%	0.797	S	S	*	*			trans	-147.8	149.4	152.4	62.1	0	0	0	0	109.9	H183	H183-S185 PolarHBondContact O-N 3.17Å
186	S	26	Very low	27.3	Very low	120 Å²	120	139 Å²	139	84%	0.839	80%	0.801	S	S	*	*			trans	-86.7	121.4	-167	53	0	0	0	0	113.6
187	S	27.6	Very low	27.6	Very low	118 Å²	118	137.8 Å²	137.8	83%	0.825	80%	0.796	S	S	*	*			trans	-168.1	161.8	146.4	51	0	0	0	0	111.7
188	S	27	Very low	27.7	Very low	120 Å²	120	138.6 Å²	138.6	84%	0.839	80%	0.799	S	S	*	*			trans	-96.6	121.9	-171.1	54.5	0	0	0	0	113.6
189	S	27.5	Very low	27.8	Very low	79 Å²	79	141.8 Å²	141.8	55%	0.552	79%	0.786	S	S	*	*			trans	-156.6	-11.9	168	47.1	0	0	0	0	117.9	K191	S189-K191 PolarHBondContact O-N 2.59Å
190	D	28.2	Very low	28.3	Very low	169 Å²	169	139.6 Å²	139.6	90%	0.904	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	52.4	-171.5	-71.5	-48.2	0	0	0	116.5
191	K	30.3	Very low	28.6	Very low	199 Å²	199	139 Å²	139	87%	0.865	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	-7.4	166.4	-76.8	-172.2	175.4	179.5	0	114.6	S189	S189-K191 PolarHBondContact O-N 2.59Å
192	Q	27.3	Very low	29.1	Very low	153 Å²	153	139.2 Å²	139.2	72%	0.715	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-87.4	-25	-171.6	-73.9	174.6	-34.9	0	0	115.1	R194 A195	Q192-R194 PolarHBondContact O-N 3.48Å; Q192-A195 WeakPolarHBondContact O-CB 3.38Å; Q192-A195 PolarHBondContact O-N 3.1Å; Q192-A195 VanDerWaalsContact O-N 3.1Å
193	A	27.1	Very low	29.3	Very low	115 Å²	115	135.8 Å²	135.8	95%	0.95	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-66.1	-2.5	-178.4	0	0	0	0	0	115.6
194	R	27.6	Very low	29.6	Very low	214 Å²	214	130.8 Å²	130.8	81%	0.808	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-105.8	-1.4	177.2	-140.3	170.2	-173.6	160.8	-0.3	113.4	Q192	Q192-R194 PolarHBondContact O-N 3.48Å
195	A	26.6	Very low	30.1	Very low	65 Å²	65	126.9 Å²	126.9	54%	0.537	69%	0.692	S	S	.	*	G	3₁₀ helix	trans	-81.7	-29.1	-168.7	0	0	0	0	0	115.2	Q192 Q197	Q192-A195 WeakPolarHBondContact O-CB 3.38Å; Q192-A195 PolarHBondContact O-N 3.1Å; Q192-A195 VanDerWaalsContact O-N 3.1Å; A195-Q197 PolarHBondContact O-N 2.76Å
196	H	28.8	Very low	30.2	Very low	195 Å²	195	127.9 Å²	127.9	90%	0.903	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-76.4	-2.8	-178	-84.6	-85.6	0	0	0	114.9
197	Q	31.5	Very low	30.6	Very low	137 Å²	137	127.1 Å²	127.1	64%	0.64	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-102.2	0.4	-178.1	-164	53.9	77.5	0	0	113.5	A195	A195-Q197 PolarHBondContact O-N 2.76Å
198	M	27.1	Very low	30.7	Very low	141 Å²	141	129.3 Å²	129.3	70%	0.695	67%	0.67	S	S	*	*			trans	-134.3	93.9	-173.1	-69.5	178.1	63.4	0	0	112.7
199	R	29.1	Very low	30.8	Very low	179 Å²	179	132 Å²	132	68%	0.675	67%	0.671	S	S	*	*			trans	-165.7	9.4	157.7	-125.6	169.7	-176.1	139.2	9.9	118.6	E202	R199-E202 VanDerWaalsContact CG-OE2 3.32Å; R199-E202 WeakPolarHBondContact CG-OE2 3.3Å; R199-E202 IonicContact CZ-OE2 3.69Å; R199-E202 IonicContact NE-OE2 3.33Å; R199-E202 PolarHBondContact NE-OE2 3.14Å; R199-E202 IonicContact NH2-OE2 2.85Å
200	V	35.8	Very low	30.7	Very low	61 Å²	61	133.8 Å²	133.8	37%	0.37	68%	0.684	S	S	.	*	S	Bend	trans	-83.2	-32.8	-179.1	-175.9	0	0	0	0	111.9	E202 C203 L204 L516	V200-E202 PolarHBondContact O-N 3.43Å; V200-C203 WeakPolarHBondContact O-CB 3.27Å; V200-C203 PolarHBondContact O-N 2.84Å; V200-L204 HydrophobicContact CG1-CD1 4.44Å; V200-L204 PolarHBondContact O-N 3.49Å; V200-L516 HydrophobicContact CG2-CD1 4.32Å
201	D	33.2	Very low	30.8	Very low	107 Å²	107	135.5 Å²	135.5	57%	0.572	68%	0.684	S	S	*	*	H	α-helix	trans	-61.5	-35.1	-179.7	-44	-57.9	0	0	0	111.8	C203 L204 L205	D201-C203 PolarHBondContact O-N 2.84Å; D201-C203 VanDerWaalsContact O-N 3.13Å; D201-L204 PolarHBondContact O-N 2.95Å; D201-L204 VanDerWaalsContact O-N 3.15Å; D201-L205 WeakPolarHBondContact O-CG 3.27Å; D201-L205 PolarHBondContact O-N 3.2Å
202	E	36	Very low	30.5	Very low	111 Å²	111	130.7 Å²	130.7	52%	0.519	68%	0.681	S	S	.	*	H	α-helix	trans	-62.1	-15.5	174.4	-163.4	170.9	-131.5	0	0	113	R199 V200	R199-E202 VanDerWaalsContact CG-OE2 3.32Å; R199-E202 WeakPolarHBondContact CG-OE2 3.3Å; R199-E202 IonicContact CZ-OE2 3.69Å; R199-E202 IonicContact NE-OE2 3.33Å; R199-E202 PolarHBondContact NE-OE2 3.14Å; R199-E202 IonicContact NH2-OE2 2.85Å; V200-E202 PolarHBondContact O-N 3.43Å
203	C	33.4	Very low	30.6	Very low	71 Å²	71	130.3 Å²	130.3	48%	0.48	68%	0.684	S	S	.	*	H	α-helix	trans	-104	-15.9	176.1	-65.1	0	0	0	0	114.3	V200 D201	V200-C203 WeakPolarHBondContact O-CB 3.27Å; V200-C203 PolarHBondContact O-N 2.84Å; D201-C203 PolarHBondContact O-N 2.84Å; D201-C203 VanDerWaalsContact O-N 3.13Å
204	L	36.8	Very low	30.6	Very low	77 Å²	77	130.8 Å²	130.8	40%	0.403	68%	0.675	S	S	.	*	H	α-helix	trans	-90	-32.3	177.2	-67.5	173.1	0	0	0	112	V200 D201 L206 N207	V200-L204 HydrophobicContact CG1-CD1 4.44Å; V200-L204 PolarHBondContact O-N 3.49Å; D201-L204 PolarHBondContact O-N 2.95Å; D201-L204 VanDerWaalsContact O-N 3.15Å; L204-L206 PolarHBondContact O-N 3.33Å; L204-N207 PolarHBondContact O-N 2.85Å
205	L	34.8	Very low	30.6	Very low	116 Å²	116	131.4 Å²	131.4	61%	0.607	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-64.2	-5.5	-178.3	-74.8	167	0	0	0	115.5	D201	D201-L205 WeakPolarHBondContact O-CG 3.27Å; D201-L205 PolarHBondContact O-N 3.2Å
206	L	32.3	Very low	30.6	Very low	138 Å²	138	135.8 Å²	135.8	72%	0.723	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-90.2	-6.9	-178.4	-82.6	163	0	0	0	115.2	L204	L204-L206 PolarHBondContact O-N 3.33Å
207	N	34.4	Very low	30.5	Very low	105 Å²	105	129.4 Å²	129.4	56%	0.561	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-104.3	19	177.2	-84	3.1	0	0	0	114.3	L204 M209	L204-N207 PolarHBondContact O-N 2.85Å; N207-M209 PolarHBondContact O-N 2.9Å
208	H	29	Very low	30.5	Very low	163 Å²	163	129.6 Å²	129.6	76%	0.755	69%	0.685	S	S	*	*			trans	-74	67	169.5	-85	-60.1	0	0	0	112.4
209	M	30.4	Very low	30.4	Very low	176 Å²	176	130.5 Å²	130.5	87%	0.867	69%	0.692	S	S	*	*			trans	-81.1	125.5	164.1	-71.7	-159.5	76.4	0	0	110.5	N207 K211	N207-M209 PolarHBondContact O-N 2.9Å; M209-K211 PolarHBondContact O-N 2.84Å
210	S	25.4	Very low	30.4	Very low	117 Å²	117	126.7 Å²	126.7	82%	0.818	69%	0.689	S	S	*	*			trans	-69.3	110.9	-178.8	53.8	0	0	0	0	112.5
211	K	29.1	Very low	30	Very low	206 Å²	206	133.1 Å²	133.1	90%	0.896	71%	0.712	S	S	*	*			trans	-134.9	75	157.2	-76.5	-164.4	175.7	-175.6	0	110.8	M209 D213	M209-K211 PolarHBondContact O-N 2.84Å; K211-D213 PolarHBondContact O-N 2.88Å
212	A	24.8	Very low	29.7	Very low	97 Å²	97	134.1 Å²	134.1	80%	0.802	72%	0.722	S	S	*	*			trans	-82.4	97.1	152	0	0	0	0	0	106.9
213	D	30	Very low	29.2	Very low	146 Å²	146	136.7 Å²	136.7	78%	0.781	73%	0.734	S	S	*	*			trans	-167.7	140.6	156.3	-100.1	-31.7	0	0	0	110.8	K211	K211-D213 PolarHBondContact O-N 2.88Å
214	T	26.9	Very low	28.9	Very low	124 Å²	124	142.9 Å²	142.9	76%	0.761	75%	0.753	S	S	*	*			trans	16.6	101.1	166.5	39.2	0	0	0	0	119.9
215	Y	26.9	Very low	28.5	Very low	228 Å²	228	146.1 Å²	146.1	89%	0.894	77%	0.771	S	S	*	*			trans	-125.1	67.3	146.1	-106	-81.2	0	0	0	110.6
216	D	27	Very low	28	Very low	157 Å²	157	145.4 Å²	145.4	84%	0.84	78%	0.775	S	S	*	*			trans	-88.8	144.3	167.1	-150.4	-17.6	0	0	0	109.3
217	G	27.6	Very low	27.9	Very low	61 Å²	61	144.2 Å²	144.2	63%	0.629	78%	0.776	S	S	*	*			trans	86.5	53.7	169.9	0	0	0	0	0	119.4
218	L	30	Very low	27.7	Very low	140 Å²	140	146 Å²	146	73%	0.733	78%	0.784	S	S	*	*			trans	-108.2	51	150.1	-88	178.1	0	0	0	112.2	T220	L218-T220 HydrophobicContact CD2-CG2 3.8Å; L218-T220 PolarHBondContact O-N 2.98Å
219	N	25.6	Very low	27.7	Very low	160 Å²	160	147.6 Å²	147.6	86%	0.856	79%	0.789	S	S	*	*			trans	-79.5	53.8	167.8	-162.2	-0.9	0	0	0	110.6	K221	N219-K221 PolarHBondContact O-N 3.25Å
220	T	29.2	Very low	27.7	Very low	99 Å²	99	143.5 Å²	143.5	61%	0.607	78%	0.776	S	S	*	*			trans	-70.1	119.7	179.5	38.6	0	0	0	0	109.7	L218 V222	L218-T220 HydrophobicContact CD2-CG2 3.8Å; L218-T220 PolarHBondContact O-N 2.98Å; T220-V222 PolarHBondContact O-N 2.96Å
221	K	26.4	Very low	28.2	Very low	197 Å²	197	141.1 Å²	141.1	86%	0.857	76%	0.757	S	S	*	*			trans	-58.7	97.5	172.6	-69.6	175.3	-179.7	172.4	0	109.2	N219 Q223	N219-K221 PolarHBondContact O-N 3.25Å; K221-Q223 PolarHBondContact O-N 2.83Å
222	V	27.3	Very low	28.5	Very low	127 Å²	127	135.8 Å²	135.8	77%	0.77	74%	0.738	S	S	*	*			trans	-56.6	107.8	165.7	176.4	0	0	0	0	106.8	T220 K224	T220-V222 PolarHBondContact O-N 2.96Å; V222-K224 PolarHBondContact O-N 3.13Å
223	Q	26.1	Very low	29.8	Very low	166 Å²	166	133.7 Å²	133.7	78%	0.776	72%	0.715	S	S	*	*			trans	-57.3	126.8	174	-71.5	-174	-6.9	0	0	107.5	K221 N225	K221-Q223 PolarHBondContact O-N 2.83Å; Q223-N225 PolarHBondContact O-N 3.28Å
224	K	26.7	Very low	30.7	Very low	200 Å²	200	127.9 Å²	127.9	87%	0.87	68%	0.684	S	S	*	*			trans	-73.3	71.6	-176.9	-70	179.5	178.7	173.4	0	110.5	V222 S226	V222-K224 PolarHBondContact O-N 3.13Å; K224-S226 PolarHBondContact O-N 2.99Å
225	N	28.8	Very low	31.9	Very low	146 Å²	146	126.7 Å²	126.7	78%	0.781	67%	0.668	S	S	*	*			trans	-55	108.7	155.3	-80.6	-12	0	0	0	106.2	Q223 P227	Q223-N225 PolarHBondContact O-N 3.28Å; N225-P227 WeakPolarHBondContact O-CD 3.21Å
226	S	25.2	Very low	33.2	Very low	101 Å²	101	118.7 Å²	118.7	71%	0.706	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-65.2	121.1	-157.7	49.3	0	0	0	0	110.6	K224 L228	K224-S226 PolarHBondContact O-N 2.99Å; S226-L228 PolarHBondContact O-N 3.38Å
227	P	30	Very low	34.1	Very low	113 Å²	113	115.5 Å²	115.5	73%	0.734	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-63.5	119.1	173.2	25.8	-32.2	0	0	0	107.7	N225 K229	N225-P227 WeakPolarHBondContact O-CD 3.21Å; P227-K229 PolarHBondContact O-N 2.95Å
228	L	29.3	Very low	35.1	Very low	142 Å²	142	113.8 Å²	113.8	74%	0.743	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-48.6	116.7	173	-79.1	161.3	0	0	0	108.5	S226	S226-L228 PolarHBondContact O-N 3.38Å
229	K	28.1	Very low	35.9	Very low	197 Å²	197	111.7 Å²	111.7	86%	0.857	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-48.9	124.4	-170.2	-80.3	-176.5	175.2	178.1	0	110.1	P227	P227-K229 PolarHBondContact O-N 2.95Å
230	P	31.4	Very low	36.8	Very low	90 Å²	90	109 Å²	109	58%	0.584	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-60.9	131.6	-178.4	23.9	-33.2	0	0	0	109.5	Q236	P230-Q236 PolarHBondContact O-NE2 3.48Å
231	P	36.6	Very low	37.4	Very low	66 Å²	66	110.8 Å²	110.8	43%	0.429	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-62.4	140.9	-170.5	25.8	-35	0	0	0	111	T233 Q236 N715	P231-T233 PolarHBondContact O-N 3.07Å; P231-Q236 PolarHBondContact O-OE1 2.88Å; P231-N715 WeakPolarHBondContact CB-OD1 3.44Å; P231-N715 HydrophobicContact CG-CB 4.1Å; P231-N715 VanDerWaalsContact CG-CG 3.49Å
232	I	34.4	Very low	37.9	Very low	95 Å²	95	106.8 Å²	106.8	49%	0.487	56%	0.559	S	S	.	*			trans	-65.6	101	-171.4	-56.3	178.1	0	0	0	110.1	Q236 L237	I232-Q236 HydrophobicContact CG2-CB 3.84Å; I232-L237 HydrophobicContact CG2-CB 3.72Å; I232-L237 HydrophobicContact CG2-CD1 4.16Å; I232-L237 HydrophobicContact CG2-CG 4.01Å
233	T	51.4	Low	38.4	Very low	53 Å²	53	105.5 Å²	105.5	33%	0.325	55%	0.552	S	S	.	*			trans	-73.3	165.2	166.4	62.3	0	0	0	0	110.7	P231 K235 Q236 L237	P231-T233 PolarHBondContact O-N 3.07Å; T233-K235 PolarHBondContact O-N 3.33Å; T233-K235 VanDerWaalsContact O-N 3.11Å; T233-Q236 PolarHBondContact O-N 3.44Å; T233-Q236 PolarHBondContact OG1-OE1 3.04Å; T233-L237 PolarHBondContact O-N 3.23Å
234	L	49.2	Very low	38.9	Very low	23 Å²	23	103.8 Å²	103.8	12%	0.12	55%	0.548	C	S	.	.	H	α-helix	trans	-54	-30.7	172.9	-79.1	170.2	0	0	0	113	L237 L238 D277 L280 A281 E708	L234-L237 PolarHBondContact O-N 2.92Å; L234-L238 WeakPolarHBondContact O-CB 3.23Å; L234-L238 WeakPolarHBondContact O-CD1 3.42Å; L234-L238 VanDerWaalsContact O-CG 3.29Å; L234-L238 WeakPolarHBondContact O-CG 3.32Å; L234-L238 PolarHBondContact O-N 2.55Å; L234-D277 HydrophobicContact CD2-CB 4.27Å; L234-L280 HydrophobicContact CD1-CD2 4.04Å; L234-A281 HydrophobicContact CB-CB 4.45Å; L234-E708 HydrophobicContact CD1-CB 4.37Å
235	K	52.8	Low	39.4	Very low	100 Å²	100	101.4 Å²	101.4	44%	0.435	55%	0.545	S	S	.	.	H	α-helix	trans	-59.7	-45.6	172.7	-179.1	-177.5	177.4	-174.4	0	111.5	T233 N239 E453	T233-K235 PolarHBondContact O-N 3.33Å; T233-K235 VanDerWaalsContact O-N 3.11Å; K235-N239 WeakPolarHBondContact O-CB 3.39Å; K235-N239 VanDerWaalsContact O-CG 3.3Å; K235-N239 PolarHBondContact O-N 3.09Å; K235-N239 VanDerWaalsContact O-N 3.16Å; K235-N239 PolarHBondContact O-OD1 3.14Å; K235-E453 IonicContact NZ-OE1 2.69Å
236	Q	53.7	Low	39.6	Very low	59 Å²	59	98 Å²	98	28%	0.276	54%	0.537	S	S	.	.	H	α-helix	trans	-75.6	-37.5	179.3	-68.9	150.2	-76.9	0	0	111.9	P230 P231 I232 T233 L238 N239 N240	P230-Q236 PolarHBondContact O-NE2 3.48Å; P231-Q236 PolarHBondContact O-OE1 2.88Å; I232-Q236 HydrophobicContact CG2-CB 3.84Å; T233-Q236 PolarHBondContact O-N 3.44Å; T233-Q236 PolarHBondContact OG1-OE1 3.04Å; Q236-L238 PolarHBondContact O-N 3.47Å; Q236-N239 PolarHBondContact O-N 2.73Å; Q236-N240 PolarHBondContact O-N 3.11Å; Q236-N240 PolarHBondContact O-OD1 3.02Å
237	L	45.8	Very low	39.9	Very low	90 Å²	90	100.2 Å²	100.2	47%	0.471	54%	0.54	S	S	.	.	H	α-helix	trans	-66.1	-37.7	-179.6	-145.2	155.7	0	0	0	111.9	I232 T233 L234	I232-L237 HydrophobicContact CG2-CB 3.72Å; I232-L237 HydrophobicContact CG2-CD1 4.16Å; I232-L237 HydrophobicContact CG2-CG 4.01Å; T233-L237 PolarHBondContact O-N 3.23Å; L234-L237 PolarHBondContact O-N 2.92Å
238	L	48.1	Very low	40	Very low	25 Å²	25	104 Å²	104	13%	0.131	55%	0.548	C	S	.	.	H	α-helix	trans	-72.6	-42.8	173.4	-70.7	167.1	0	0	0	112.4	L234 Q236 N240 K241 L242 T274 Q278 A281	L234-L238 WeakPolarHBondContact O-CB 3.23Å; L234-L238 WeakPolarHBondContact O-CD1 3.42Å; L234-L238 VanDerWaalsContact O-CG 3.29Å; L234-L238 WeakPolarHBondContact O-CG 3.32Å; L234-L238 PolarHBondContact O-N 2.55Å; Q236-L238 PolarHBondContact O-N 3.47Å; L238-N240 VanDerWaalsContact C-N 3.3Å; L238-N240 PolarHBondContact O-N 2.92Å; L238-K241 PolarHBondContact O-N 2.98Å; L238-L242 WeakPolarHBondContact O-CG 3.42Å; L238-L242 PolarHBondContact O-N 3.48Å; L238-T274 HydrophobicContact CD2-CG2 4.45Å; L238-Q278 HydrophobicContact CD1-CB 4.4Å; L238-Q278 HydrophobicContact CD1-CG 3.88Å; L238-Q278 HydrophobicContact CD2-CG 3.89Å; L238-A281 HydrophobicContact CD1-CB 3.92Å
239	N	47.3	Very low	40	Very low	97 Å²	97	103.5 Å²	103.5	52%	0.519	55%	0.551	S	S	.	*	H	α-helix	trans	-59.9	-39.4	177.3	-83.8	28.2	0	0	0	112.4	K235 Q236 K241 L242	K235-N239 WeakPolarHBondContact O-CB 3.39Å; K235-N239 VanDerWaalsContact O-CG 3.3Å; K235-N239 PolarHBondContact O-N 3.09Å; K235-N239 VanDerWaalsContact O-N 3.16Å; K235-N239 PolarHBondContact O-OD1 3.14Å; Q236-N239 PolarHBondContact O-N 2.73Å; N239-K241 VanDerWaalsContact C-N 3.33Å; N239-K241 PolarHBondContact O-N 3.49Å; N239-L242 PolarHBondContact O-N 2.93Å
240	N	44.7	Very low	40.2	Very low	103 Å²	103	100.2 Å²	100.2	55%	0.551	55%	0.548	S	S	*	.	H	α-helix	trans	-66.9	-31.9	179.1	-73.6	20.8	0	0	0	112.8	Q236 L238	Q236-N240 PolarHBondContact O-N 3.11Å; Q236-N240 PolarHBondContact O-OD1 3.02Å; L238-N240 VanDerWaalsContact C-N 3.3Å; L238-N240 PolarHBondContact O-N 2.92Å
241	K	41.5	Very low	40.4	Very low	137 Å²	137	102.9 Å²	102.9	60%	0.596	56%	0.557	S	S	*	*	H	α-helix	trans	-77	-32.5	177.7	-76.9	-161.3	166.5	-153	0	114	L238 N239 V243 D244	L238-K241 PolarHBondContact O-N 2.98Å; N239-K241 VanDerWaalsContact C-N 3.33Å; N239-K241 PolarHBondContact O-N 3.49Å; K241-V243 PolarHBondContact O-N 2.88Å; K241-V243 VanDerWaalsContact O-N 3.17Å; K241-D244 PolarHBondContact O-N 3.29Å
242	L	37.3	Very low	40.2	Very low	112 Å²	112	105.8 Å²	105.8	59%	0.586	58%	0.576	S	S	*	*	H	α-helix	trans	-74.7	1.5	-177	-70.9	169.9	0	0	0	114.2	L238 N239	L238-L242 WeakPolarHBondContact O-CG 3.42Å; L238-L242 PolarHBondContact O-N 3.48Å; N239-L242 PolarHBondContact O-N 2.93Å
243	V	37.5	Very low	40.2	Very low	101 Å²	101	109.4 Å²	109.4	61%	0.612	60%	0.595	S	S	*	*	H	α-helix	trans	-97.2	-35.8	174.2	178.5	0	0	0	0	111.4	K241	K241-V243 PolarHBondContact O-N 2.88Å; K241-V243 VanDerWaalsContact O-N 3.17Å
244	D	36.4	Very low	39.3	Very low	130 Å²	130	116.1 Å²	116.1	70%	0.695	62%	0.619	S	S	*	*	H	α-helix	trans	-76.3	-37.3	-176	-60.2	-27.2	0	0	0	112.5	K241 A246	K241-D244 PolarHBondContact O-N 3.29Å; D244-A246 PolarHBondContact O-N 3.4Å; D244-A246 VanDerWaalsContact O-N 3.13Å
245	D	37.8	Very low	38.6	Very low	149 Å²	149	123 Å²	123	80%	0.797	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	7.3	-177.1	-72.6	-33.3	0	0	0	114.3
246	A	32.4	Very low	37.7	Very low	76 Å²	76	127.3 Å²	127.3	63%	0.628	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	3.6	-167.8	0	0	0	0	0	115.8	D244	D244-A246 PolarHBondContact O-N 3.4Å; D244-A246 VanDerWaalsContact O-N 3.13Å
247	L	32.6	Very low	36.8	Very low	146 Å²	146	131.5 Å²	131.5	76%	0.764	70%	0.704	S	S	*	*			trans	-131.4	65.5	-168.4	-87.9	164.1	0	0	0	114.5
248	Q	32.5	Very low	36.3	Very low	192 Å²	192	132.4 Å²	132.4	90%	0.897	72%	0.716	S	S	*	*			trans	-167.7	130.3	151.4	-112	146.8	83.1	0	0	112.6
249	T	28.1	Very low	35.4	Very low	132 Å²	132	136.4 Å²	136.4	81%	0.81	75%	0.746	S	S	*	*			trans	-145.7	107.5	176.2	51.9	0	0	0	0	111.6
250	T	34	Very low	34.8	Very low	129 Å²	129	137.2 Å²	137.2	79%	0.791	76%	0.759	S	S	*	*			trans	-163.8	132.4	153.6	24.1	0	0	0	0	111.8
251	D	34.2	Very low	34.3	Very low	145 Å²	145	140 Å²	140	78%	0.775	77%	0.772	S	S	*	*			trans	47.7	116.9	143.6	-50.2	-28.3	0	0	0	122.4
252	P	32.3	Very low	33.8	Very low	127 Å²	127	140.2 Å²	140.2	83%	0.825	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-97.1	129.3	170.9	35.4	-29.9	0	0	0	113.3
253	I	35.2	Very low	33.7	Very low	172 Å²	172	139.4 Å²	139.4	88%	0.882	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-100.3	139.7	165.4	-64.2	179.7	0	0	0	109.5
254	K	31.5	Very low	33.6	Very low	193 Å²	193	145.1 Å²	145.1	84%	0.839	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-86.2	143.2	-179.2	-61.4	166.4	-177.4	165	0	110.5
255	D	34.4	Very low	33.5	Very low	167 Å²	167	141.9 Å²	141.9	89%	0.893	79%	0.786	S	S	*	*			trans	-149.9	165.4	138.1	-126	-36.2	0	0	0	113.2
256	K	35.4	Very low	34	Very low	192 Å²	192	139.5 Å²	139.5	84%	0.835	78%	0.779	S	S	*	*			trans	-111.4	143.9	-172.1	-63.8	172.3	178.5	172.5	0	112.7
257	V	34.8	Very low	34.6	Very low	146 Å²	146	141.9 Å²	141.9	89%	0.885	78%	0.779	S	S	*	*			trans	-167.3	150.2	138.8	128.8	0	0	0	0	109.7
258	P	34.3	Very low	35.2	Very low	110 Å²	110	141.1 Å²	141.1	71%	0.714	77%	0.772	S	S	*	*			trans	-107.2	155.3	-148.2	39	-35.6	0	0	0	118
259	S	30.6	Very low	36.3	Very low	109 Å²	109	138.5 Å²	138.5	76%	0.762	76%	0.759	S	S	*	*			trans	2.2	114.5	155.2	58.3	0	0	0	0	120.1
260	S	33	Very low	38.3	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	75%	0.747	S	S	*	*				175.4	130.2	103.9	46.3	0	0	0	0	112.8
261	I	34.4	Very low	40.6	Very low	162 Å²	162	133.8 Å²	133.8	83%	0.831	73%	0.734	S	S	*	*			trans	175.5	129.4	150.4	-95.3	153.8	0	0	0	106.8
262	T	31.1	Very low	43.1	Very low	141 Å²	141	129.2 Å²	129.2	87%	0.865	71%	0.709	S	S	*	*			trans	-95.1	115.5	-179.5	28.7	0	0	0	0	111.6
263	S	35.6	Very low	45.7	Very low	96 Å²	96	124.7 Å²	124.7	67%	0.671	68%	0.676	S	S	*	*			trans	-134.4	128.5	165.2	58	0	0	0	0	110.1
264	Y	35.4	Very low	48.2	Very low	221 Å²	221	119.4 Å²	119.4	87%	0.867	65%	0.652	S	S	*	*			trans	-78.1	140.7	-179.5	-86.9	-94.6	0	0	0	111
265	T	34	Very low	51	Low	62 Å²	62	112.2 Å²	112.2	38%	0.38	63%	0.626	S	S	.	*			trans	-102.7	131.3	-151.4	19.2	0	0	0	0	114.5	I267 Q268	T265-I267 HydrophobicContact CG2-CD1 4.44Å; T265-I267 PolarHBondContact O-N 3.02Å; T265-I267 VanDerWaalsContact O-N 3.17Å; T265-Q268 PolarHBondContact O-N 2.82Å
266	P	47.8	Very low	53.7	Low	99 Å²	99	104.6 Å²	104.6	64%	0.643	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-26	168	-25.3	35	0	0	0	113.8	Q268 Q269	P266-Q268 VanDerWaalsContact C-N 3.26Å; P266-Q268 PolarHBondContact O-N 3.39Å; P266-Q269 PolarHBondContact O-N 2.96Å
267	I	45.4	Very low	56.4	Low	125 Å²	125	96.1 Å²	96.1	64%	0.641	55%	0.549	S	S	*	.	H	α-helix	trans	-63.6	-26.9	-175.1	-56.8	173	0	0	0	112.6	T265 T270	T265-I267 HydrophobicContact CG2-CD1 4.44Å; T265-I267 PolarHBondContact O-N 3.02Å; T265-I267 VanDerWaalsContact O-N 3.17Å; I267-T270 PolarHBondContact O-OG1 3.47Å; I267-T270 VanDerWaalsContact O-OG1 3.07Å
268	Q	45	Very low	59	Low	130 Å²	130	93 Å²	93	61%	0.607	53%	0.525	S	S	*	.	H	α-helix	trans	-77.2	-26.6	-179.7	-66.6	-171.9	-7.3	0	0	113.5	T265 P266 S271 L272	T265-Q268 PolarHBondContact O-N 2.82Å; P266-Q268 VanDerWaalsContact C-N 3.26Å; P266-Q268 PolarHBondContact O-N 3.39Å; Q268-S271 PolarHBondContact O-OG 3.18Å; Q268-L272 WeakPolarHBondContact O-CB 3.38Å; Q268-L272 PolarHBondContact O-N 3.37Å
269	Q	56.3	Low	61.8	Low	137 Å²	137	93 Å²	93	64%	0.64	51%	0.514	S	S	*	.	H	α-helix	trans	-76.2	-34.8	179.4	-72.1	-176	-33.5	0	0	112.2	P266 K273	P266-Q269 PolarHBondContact O-N 2.96Å; Q269-K273 PolarHBondContact O-N 2.69Å
270	T	69.3	Low	64.7	Low	88 Å²	88	87.8 Å²	87.8	54%	0.54	48%	0.478	S	S	.	.	H	α-helix	trans	-69.4	-41.3	-178.4	55.1	0	0	0	0	112.3	I267 T274	I267-T270 PolarHBondContact O-OG1 3.47Å; I267-T270 VanDerWaalsContact O-OG1 3.07Å; T270-T274 WeakPolarHBondContact O-CB 3.18Å; T270-T274 PolarHBondContact O-N 3.37Å; T270-T274 PolarHBondContact O-OG1 2.84Å
271	S	82	Confident	67.2	Low	75 Å²	75	83.1 Å²	83.1	52%	0.524	45%	0.445	S	S	.	.	H	α-helix	trans	-66.9	-41.8	175.7	59.9	0	0	0	0	112.1	Q268 T274 S275	Q268-S271 PolarHBondContact O-OG 3.18Å; S271-T274 PolarHBondContact O-N 3.04Å; S271-S275 PolarHBondContact O-N 3.24Å
272	L	87.6	Confident	69.9	Low	49 Å²	49	78.5 Å²	78.5	26%	0.257	43%	0.425	S	S	.	.	H	α-helix	trans	-61	-47.3	176.7	-170	67	0	0	0	112	Q268 S275 I276 E697	Q268-L272 WeakPolarHBondContact O-CB 3.38Å; Q268-L272 PolarHBondContact O-N 3.37Å; L272-S275 PolarHBondContact O-N 3.21Å; L272-I276 HydrophobicContact CG-CD1 4.34Å; L272-I276 PolarHBondContact O-N 3.16Å; L272-E697 HydrophobicContact CD1-CG 3.89Å; L272-E697 HydrophobicContact CD2-CG 4.11Å; L272-E697 HydrophobicContact CG-CG 4.34Å
273	K	87.3	Confident	72.9	Confident	32 Å²	32	73.7 Å²	73.7	14%	0.139	39%	0.392	C	S	.	.	H	α-helix	trans	-61.2	-45.7	175.6	-170.7	-171	177.2	-65.5	0	111.3	Q269 S275 I276 D277 A700 Q703 E707	Q269-K273 PolarHBondContact O-N 2.69Å; K273-S275 VanDerWaalsContact C-N 3.3Å; K273-S275 PolarHBondContact O-N 3.08Å; K273-I276 CarbonylContact O-C 3.46Å; K273-I276 WeakPolarHBondContact O-CA 3.28Å; K273-I276 PolarHBondContact O-N 2.82Å; K273-D277 IonicContact NZ-OD1 3.58Å; K273-D277 PolarHBondContact NZ-OD1 3.04Å; K273-D277 IonicContact NZ-OD2 2.93Å; K273-D277 PolarHBondContact NZ-OD2 2.94Å; K273-D277 PolarHBondContact O-N 2.94Å; K273-A700 HydrophobicContact CB-CB 4.46Å; K273-Q703 VanDerWaalsContact CE-NE2 3.33Å; K273-E707 WeakPolarHBondContact CE-OE1 3.47Å; K273-E707 VanDerWaalsContact CE-OE2 3.24Å; K273-E707 WeakPolarHBondContact CE-OE2 3.37Å; K273-E707 IonicContact NZ-OE1 3.18Å; K273-E707 IonicContact NZ-OE2 2.71Å; K273-E707 PolarHBondContact NZ-OE2 3.14Å
274	T	86.6	Confident	75.5	Confident	60 Å²	60	69.9 Å²	69.9	37%	0.368	36%	0.363	S	S	.	.	H	α-helix	trans	-58	-41.6	179	-54.5	0	0	0	0	111.5	L238 T270 S271 I276 D277 Q278	L238-T274 HydrophobicContact CD2-CG2 4.45Å; T270-T274 WeakPolarHBondContact O-CB 3.18Å; T270-T274 PolarHBondContact O-N 3.37Å; T270-T274 PolarHBondContact O-OG1 2.84Å; S271-T274 PolarHBondContact O-N 3.04Å; T274-I276 VanDerWaalsContact C-N 3.3Å; T274-I276 PolarHBondContact O-N 2.7Å; T274-D277 PolarHBondContact O-N 3.48Å; T274-Q278 WeakPolarHBondContact O-CB 3.42Å; T274-Q278 VanDerWaalsContact O-CG 3.29Å; T274-Q278 WeakPolarHBondContact O-CG 3.47Å; T274-Q278 PolarHBondContact O-N 3.23Å
275	S	90.9	Very high	78.1	Confident	43 Å²	43	61.4 Å²	61.4	30%	0.301	34%	0.336	S	S	.	.	H	α-helix	trans	-61.3	-36.8	174	-173.6	0	0	0	0	112.7	S271 L272 K273 K279	S271-S275 PolarHBondContact O-N 3.24Å; L272-S275 PolarHBondContact O-N 3.21Å; K273-S275 VanDerWaalsContact C-N 3.3Å; K273-S275 PolarHBondContact O-N 3.08Å; S275-K279 WeakPolarHBondContact O-CD 3.21Å; S275-K279 VanDerWaalsContact O-CG 3.22Å; S275-K279 WeakPolarHBondContact O-CG 3.39Å; S275-K279 PolarHBondContact O-N 3.43Å; S275-K279 WeakPolarHBondContact OG-CE 3.28Å
276	I	91.9	Very high	80.8	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.036	35%	0.348	C	S	.	.	H	α-helix	trans	-76.7	-37.5	179.4	-70.3	165.6	0	0	0	111.7	L272 K273 T274 Q278 K279 L280 E697 A700 L701	L272-I276 HydrophobicContact CG-CD1 4.34Å; L272-I276 PolarHBondContact O-N 3.16Å; K273-I276 CarbonylContact O-C 3.46Å; K273-I276 WeakPolarHBondContact O-CA 3.28Å; K273-I276 PolarHBondContact O-N 2.82Å; T274-I276 VanDerWaalsContact C-N 3.3Å; T274-I276 PolarHBondContact O-N 2.7Å; I276-Q278 VanDerWaalsContact C-N 3.34Å; I276-Q278 PolarHBondContact O-N 3.26Å; I276-K279 PolarHBondContact O-N 2.98Å; I276-L280 WeakPolarHBondContact O-CB 3.1Å; I276-L280 PolarHBondContact O-N 2.99Å; I276-E697 HydrophobicContact CD1-CB 4.26Å; I276-E697 HydrophobicContact CD1-CG 4.37Å; I276-A700 HydrophobicContact CD1-CB 3.56Å; I276-L701 HydrophobicContact CG2-CB 4.12Å; I276-L701 HydrophobicContact CG2-CD1 4.03Å
277	D	91.3	Very high	82.9	Confident	14 Å²	14	62.7 Å²	62.7	8%	0.075	32%	0.324	C	S	.	.	H	α-helix	trans	-59	-44.8	170.3	-66.3	-31.5	0	0	0	110.9	L234 K273 T274 L280 A281 S704	L234-D277 HydrophobicContact CD2-CB 4.27Å; K273-D277 IonicContact NZ-OD1 3.58Å; K273-D277 PolarHBondContact NZ-OD1 3.04Å; K273-D277 IonicContact NZ-OD2 2.93Å; K273-D277 PolarHBondContact NZ-OD2 2.94Å; K273-D277 PolarHBondContact O-N 2.94Å; T274-D277 PolarHBondContact O-N 3.48Å; D277-L280 PolarHBondContact O-N 2.92Å; D277-A281 WeakPolarHBondContact O-CB 3.19Å; D277-A281 PolarHBondContact O-N 2.72Å; D277-S704 WeakPolarHBondContact OD1-CB 3.04Å; D277-S704 PolarHBondContact OD1-OG 2.84Å
278	Q	90.1	Very high	85.2	Confident	81 Å²	81	58.4 Å²	58.4	38%	0.379	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-43.2	174.6	-73.1	171.5	-5.1	0	0	112.6	L238 T274 I276 L280 T282	L238-Q278 HydrophobicContact CD1-CB 4.4Å; L238-Q278 HydrophobicContact CD1-CG 3.88Å; L238-Q278 HydrophobicContact CD2-CG 3.89Å; T274-Q278 WeakPolarHBondContact O-CB 3.42Å; T274-Q278 VanDerWaalsContact O-CG 3.29Å; T274-Q278 WeakPolarHBondContact O-CG 3.47Å; T274-Q278 PolarHBondContact O-N 3.23Å; I276-Q278 VanDerWaalsContact C-N 3.34Å; I276-Q278 PolarHBondContact O-N 3.26Å; Q278-L280 VanDerWaalsContact C-N 3.34Å; Q278-L280 PolarHBondContact O-N 3.11Å; Q278-T282 VanDerWaalsContact O-CB 3.28Å; Q278-T282 WeakPolarHBondContact O-CB 3.44Å; Q278-T282 PolarHBondContact O-N 3.1Å; Q278-T282 PolarHBondContact O-OG1 3.16Å
279	K	91.9	Very high	87.5	Confident	109 Å²	109	57 Å²	57	47%	0.474	30%	0.296	S	S	.	.	H	α-helix	trans	-60.7	-42.8	174.2	-73.1	162.9	-172	168.8	0	111.2	S275 I276 T282 F283	S275-K279 WeakPolarHBondContact O-CD 3.21Å; S275-K279 VanDerWaalsContact O-CG 3.22Å; S275-K279 WeakPolarHBondContact O-CG 3.39Å; S275-K279 PolarHBondContact O-N 3.43Å; S275-K279 WeakPolarHBondContact OG-CE 3.28Å; I276-K279 PolarHBondContact O-N 2.98Å; K279-T282 PolarHBondContact O-N 3.45Å; K279-F283 PolarHBondContact O-N 3.38Å
280	L	91.2	Very high	89.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.7	-44.4	179.9	-172.7	61.8	0	0	0	112.1	L234 I276 D277 Q278 F283 Y284 M686 L705 E708	L234-L280 HydrophobicContact CD1-CD2 4.04Å; I276-L280 WeakPolarHBondContact O-CB 3.1Å; I276-L280 PolarHBondContact O-N 2.99Å; D277-L280 PolarHBondContact O-N 2.92Å; Q278-L280 VanDerWaalsContact C-N 3.34Å; Q278-L280 PolarHBondContact O-N 3.11Å; L280-F283 PolarHBondContact O-N 3.36Å; L280-Y284 HydrophobicContact CD1-CD2 4.04Å; L280-Y284 HydrophobicContact CD1-CE2 3.41Å; L280-Y284 VanDerWaalsContact CD1-CE2 3.41Å; L280-Y284 HydrophobicContact CD2-CE2 4.29Å; L280-Y284 HydrophobicContact CG-CD2 4Å; L280-Y284 HydrophobicContact CG-CE2 3.64Å; L280-Y284 VanDerWaalsContact O-CD2 3.31Å; L280-Y284 WeakPolarHBondContact O-CD2 3.29Å; L280-Y284 PolarHBondContact O-N 2.92Å; L280-M686 HydrophobicContact CD1-CB 4.27Å; L280-M686 HydrophobicContact CD1-CE 4.22Å; L280-M686 HydrophobicContact CD1-SD 3.83Å; L280-L705 HydrophobicContact CD1-CD2 3.78Å; L280-L705 HydrophobicContact CD2-CD2 4.07Å; L280-L705 HydrophobicContact CD2-CG 4.39Å; L280-E708 HydrophobicContact CD2-CB 4.29Å
281	A	86.8	Confident	90.3	Very high	14 Å²	14	49.5 Å²	49.5	12%	0.116	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-38.7	173.9	0	0	0	0	0	112.3	L234 L238 D277 Y284 S285	L234-A281 HydrophobicContact CB-CB 4.45Å; L238-A281 HydrophobicContact CD1-CB 3.92Å; D277-A281 WeakPolarHBondContact O-CB 3.19Å; D277-A281 PolarHBondContact O-N 2.72Å; A281-Y284 PolarHBondContact O-N 3.4Å; A281-S285 WeakPolarHBondContact O-CB 3.14Å; A281-S285 PolarHBondContact O-N 2.72Å; A281-S285 PolarHBondContact O-OG 3.12Å
282	T	90.2	Very high	90.8	Very high	65 Å²	65	48.1 Å²	48.1	40%	0.399	24%	0.242	S	C	.	.	H	α-helix	trans	-66.6	-37.5	174.6	-58.6	0	0	0	0	112.2	Q278 K279 S285 R286	Q278-T282 VanDerWaalsContact O-CB 3.28Å; Q278-T282 WeakPolarHBondContact O-CB 3.44Å; Q278-T282 PolarHBondContact O-N 3.1Å; Q278-T282 PolarHBondContact O-OG1 3.16Å; K279-T282 PolarHBondContact O-N 3.45Å; T282-S285 WeakPolarHBondContact CA-OG 3.43Å; T282-S285 PolarHBondContact O-OG 3.39Å; T282-R286 WeakPolarHBondContact O-CB 3.42Å; T282-R286 WeakPolarHBondContact O-CG 3.27Å; T282-R286 PolarHBondContact O-N 3.48Å
283	F	93.5	Very high	90.9	Very high	41 Å²	41	49.9 Å²	49.9	18%	0.18	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-50.7	173.4	167.3	-106.1	0	0	0	111.4	K279 L280 R286 S287 S685 M686	K279-F283 PolarHBondContact O-N 3.38Å; L280-F283 PolarHBondContact O-N 3.36Å; F283-R286 PolarHBondContact O-N 3.22Å; F283-S287 WeakPolarHBondContact O-CB 3.33Å; F283-S287 PolarHBondContact O-N 2.99Å; F283-S685 WeakPolarHBondContact CE1-O 3.23Å; F283-M686 HydrophobicContact CB-CG 4.39Å; F283-M686 HydrophobicContact CB-SD 3.63Å; F283-M686 HydrophobicContact CD1-CB 3.99Å; F283-M686 HydrophobicContact CD1-CG 3.63Å; F283-M686 HydrophobicContact CD1-SD 3.79Å; F283-M686 HydrophobicContact CD2-CG 4.13Å; F283-M686 HydrophobicContact CD2-SD 4.42Å; F283-M686 HydrophobicContact CE1-CB 3.94Å; F283-M686 HydrophobicContact CE1-CG 3.88Å; F283-M686 HydrophobicContact CE2-CG 4.36Å; F283-M686 HydrophobicContact CG-CG 3.76Å; F283-M686 HydrophobicContact CG-SD 3.67Å; F283-M686 HydrophobicContact CZ-CG 4.24Å
284	Y	91	Very high	91	Very high	16 Å²	16	50 Å²	50	6%	0.063	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-46.5	-177.7	-74.6	-50.7	0	0	0	112.4	L280 A281 R286 S287 H290 S685 E708	L280-Y284 HydrophobicContact CD1-CD2 4.04Å; L280-Y284 HydrophobicContact CD1-CE2 3.41Å; L280-Y284 VanDerWaalsContact CD1-CE2 3.41Å; L280-Y284 HydrophobicContact CD2-CE2 4.29Å; L280-Y284 HydrophobicContact CG-CD2 4Å; L280-Y284 HydrophobicContact CG-CE2 3.64Å; L280-Y284 VanDerWaalsContact O-CD2 3.31Å; L280-Y284 WeakPolarHBondContact O-CD2 3.29Å; L280-Y284 PolarHBondContact O-N 2.92Å; A281-Y284 PolarHBondContact O-N 3.4Å; Y284-R286 PolarHBondContact O-N 2.99Å; Y284-S287 PolarHBondContact O-N 3.42Å; Y284-S287 VanDerWaalsContact O-N 3.12Å; Y284-H290 HydrophobicContact CD1-CB 3.96Å; Y284-H290 AromaticContact CD1-CD2 3.69Å; Y284-H290 AromaticContact CD1-CG 3.51Å; Y284-H290 AromaticContact CD1-ND1 3.8Å; Y284-H290 AromaticContact CG-CD2 3.93Å; Y284-H290 PolarHBondContact O-CD2 3.2Å; Y284-S685 PolarHBondContact OH-N 3.35Å; Y284-S685 PolarHBondContact OH-O 3.23Å; Y284-E708 HydrophobicContact CE2-CG 3.9Å
285	S	89.8	Confident	91.2	Very high	43 Å²	43	47.6 Å²	47.6	30%	0.301	25%	0.247	S	C	.	.	H	α-helix	trans	-59	-30.1	178.6	54.5	0	0	0	0	114.2	A281 T282 H291	A281-S285 WeakPolarHBondContact O-CB 3.14Å; A281-S285 PolarHBondContact O-N 2.72Å; A281-S285 PolarHBondContact O-OG 3.12Å; T282-S285 WeakPolarHBondContact CA-OG 3.43Å; T282-S285 PolarHBondContact O-OG 3.39Å; S285-H291 PolarHBondContact O-NE2 2.92Å
286	R	90.9	Very high	91.1	Very high	167 Å²	167	46.5 Å²	46.5	63%	0.63	24%	0.24	S	C	*	.	H	α-helix	trans	-94.1	-14.8	177.5	-64.6	-179.2	177.9	-174.8	1.2	113.8	T282 F283 Y284 R288 H393	T282-R286 WeakPolarHBondContact O-CB 3.42Å; T282-R286 WeakPolarHBondContact O-CG 3.27Å; T282-R286 PolarHBondContact O-N 3.48Å; F283-R286 PolarHBondContact O-N 3.22Å; Y284-R286 PolarHBondContact O-N 2.99Å; R286-R288 PolarHBondContact O-N 2.8Å; R286-H393 PolarHBondContact O-CE1 3.2Å; R286-H393 PolarHBondContact O-NE2 3.38Å
287	S	91.9	Very high	90.8	Very high	20 Å²	20	49.2 Å²	49.2	14%	0.14	25%	0.252	C	S	.	.			trans	-81.7	103.2	-172.4	178.1	0	0	0	0	112	F283 Y284 L289 H290 H291	F283-S287 WeakPolarHBondContact O-CB 3.33Å; F283-S287 PolarHBondContact O-N 2.99Å; Y284-S287 PolarHBondContact O-N 3.42Å; Y284-S287 VanDerWaalsContact O-N 3.12Å; S287-L289 PolarHBondContact O-N 2.73Å; S287-L289 VanDerWaalsContact O-N 3.09Å; S287-H290 WeakPolarHBondContact O-CB 3.08Å; S287-H290 PolarHBondContact O-N 3.19Å; S287-H290 PolarHBondContact OG-N 3.21Å; S287-H291 PolarHBondContact O-CD2 2.86Å; S287-H291 PolarHBondContact O-N 3.45Å; S287-H291 VanDerWaalsContact O-N 3.07Å
288	R	94.2	Very high	90.7	Very high	35 Å²	35	51 Å²	51	13%	0.132	26%	0.261	C	S	.	.	H	α-helix	trans	-51.4	-35.4	175	85.8	-174.2	-165.7	109.9	-12.4	113.1	R286 H291 L292 E416 A418 Y450 F452	R286-R288 PolarHBondContact O-N 2.8Å; R288-H291 PolarHBondContact O-N 3.41Å; R288-L292 WeakPolarHBondContact O-CB 3.19Å; R288-L292 VanDerWaalsContact O-CG 3.24Å; R288-L292 WeakPolarHBondContact O-CG 3.47Å; R288-L292 PolarHBondContact O-N 3.31Å; R288-E416 IonicContact CZ-OE1 2.84Å; R288-E416 IonicContact NE-OE1 3.37Å; R288-E416 PolarHBondContact NE-OE1 3.44Å; R288-E416 IonicContact NH2-OE1 3.65Å; R288-E416 PolarHBondContact NH2-OE1 3.19Å; R288-A418 PolarHBondContact NH1-O 3.47Å; R288-Y450 HydrophobicContact CB-CD1 4.37Å; R288-Y450 HydrophobicContact CB-CE1 3.78Å; R288-Y450 WeakPolarHBondContact CD-OH 3.45Å; R288-Y450 HydrophobicContact CG-CE1 4.4Å; R288-F452 HydrophobicContact CB-CE1 3.9Å; R288-F452 HydrophobicContact CB-CZ 4.26Å
289	L	93.1	Very high	90.7	Very high	101 Å²	101	47.3 Å²	47.3	53%	0.529	24%	0.244	S	C	.	.	H	α-helix	trans	-73.8	-29.1	-179.1	-60.2	178.7	0	0	0	112.2	S287 L292 S293	S287-L289 PolarHBondContact O-N 2.73Å; S287-L289 VanDerWaalsContact O-N 3.09Å; L289-L292 HydrophobicContact CD2-CD1 4.49Å; L289-S293 WeakPolarHBondContact O-CB 3.4Å; L289-S293 PolarHBondContact O-N 2.85Å; L289-S293 PolarHBondContact O-OG 3.32Å
290	H	92.1	Very high	90.5	Very high	41 Å²	41	43 Å²	43	19%	0.19	23%	0.226	C	C	.	.	H	α-helix	trans	-72.7	-44.6	171.2	172.7	53.8	0	0	0	111.4	Y284 S287 S293 S294 R712	Y284-H290 HydrophobicContact CD1-CB 3.96Å; Y284-H290 AromaticContact CD1-CD2 3.69Å; Y284-H290 AromaticContact CD1-CG 3.51Å; Y284-H290 AromaticContact CD1-ND1 3.8Å; Y284-H290 AromaticContact CG-CD2 3.93Å; Y284-H290 PolarHBondContact O-CD2 3.2Å; S287-H290 WeakPolarHBondContact O-CB 3.08Å; S287-H290 PolarHBondContact O-N 3.19Å; S287-H290 PolarHBondContact OG-N 3.21Å; H290-S293 PolarHBondContact O-N 2.91Å; H290-S294 PolarHBondContact CE1-OG 3.26Å; H290-S294 PolarHBondContact ND1-OG 2.89Å; H290-S294 WeakPolarHBondContact O-CB 3.31Å; H290-S294 PolarHBondContact O-N 2.85Å; H290-S294 PolarHBondContact O-OG 2.99Å; H290-R712 PolarHBondContact CE1-NH2 3.35Å
291	H	92.3	Very high	90.2	Very high	26 Å²	26	44.4 Å²	44.4	12%	0.12	24%	0.235	C	C	.	.	H	α-helix	trans	-55.5	-56	174.2	-80.2	-70.1	0	0	0	111.5	S285 S287 R288 S293 S294 W295 F452	S285-H291 PolarHBondContact O-NE2 2.92Å; S287-H291 PolarHBondContact O-CD2 2.86Å; S287-H291 PolarHBondContact O-N 3.45Å; S287-H291 VanDerWaalsContact O-N 3.07Å; R288-H291 PolarHBondContact O-N 3.41Å; H291-S293 VanDerWaalsContact C-N 3.27Å; H291-S293 PolarHBondContact O-N 3.22Å; H291-S294 PolarHBondContact O-N 2.97Å; H291-W295 HydrophobicContact CB-CD2 4.27Å; H291-W295 HydrophobicContact CB-CE3 4.46Å; H291-W295 HydrophobicContact CB-CH2 3.89Å; H291-W295 HydrophobicContact CB-CZ2 3.63Å; H291-W295 HydrophobicContact CB-CZ3 4.28Å; H291-W295 AromaticContact CG-CZ2 3.87Å; H291-W295 AromaticContact ND1-CE2 3.93Å; H291-W295 AromaticContact ND1-CZ2 3.68Å; H291-W295 AromaticContact ND1-NE1 3.91Å; H291-W295 VanDerWaalsContact O-CG 3.22Å; H291-W295 PolarHBondContact O-N 3Å; H291-F452 HydrophobicContact CB-CD1 4.16Å; H291-F452 HydrophobicContact CB-CE1 4.47Å; H291-F452 AromaticContact CD2-CD1 3.45Å; H291-F452 VanDerWaalsContact CD2-CD1 3.45Å; H291-F452 WeakPolarHBondContact CD2-CD1 3.26Å; H291-F452 AromaticContact CD2-CD2 3.72Å; H291-F452 AromaticContact CD2-CE1 3.61Å; H291-F452 AromaticContact CD2-CE2 3.85Å; H291-F452 AromaticContact CD2-CG 3.52Å; H291-F452 AromaticContact CD2-CZ 3.81Å; H291-F452 AromaticContact CE1-CG 3.89Å; H291-F452 AromaticContact CG-CD1 3.79Å; H291-F452 AromaticContact NE2-CD1 3.9Å; H291-F452 AromaticContact NE2-CD2 3.39Å; H291-F452 WeakPolarHBondContact NE2-CD2 2.82Å; H291-F452 AromaticContact NE2-CE2 3.82Å; H291-F452 AromaticContact NE2-CG 3.44Å; H291-F452 WeakPolarHBondContact NE2-CG 3.28Å
292	L	92.1	Very high	90.3	Very high	47 Å²	47	45.9 Å²	45.9	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-53.5	-41.3	176.1	-71	170	0	0	0	113.1	R288 L289 S294 W295 A296 F373 C478	R288-L292 WeakPolarHBondContact O-CB 3.19Å; R288-L292 VanDerWaalsContact O-CG 3.24Å; R288-L292 WeakPolarHBondContact O-CG 3.47Å; R288-L292 PolarHBondContact O-N 3.31Å; L289-L292 HydrophobicContact CD2-CD1 4.49Å; L292-S294 VanDerWaalsContact C-N 3.33Å; L292-W295 HydrophobicContact CD2-CE3 4.23Å; L292-W295 HydrophobicContact CD2-CZ3 4.29Å; L292-A296 WeakPolarHBondContact O-CB 3.21Å; L292-A296 PolarHBondContact O-N 2.85Å; L292-A296 VanDerWaalsContact O-N 3.1Å; L292-F373 HydrophobicContact CD2-CE1 4.38Å; L292-F373 HydrophobicContact CD2-CZ 3.99Å; L292-F373 HydrophobicContact CG-CZ 4.35Å; L292-C478 WeakPolarHBondContact CD2-SG 3.38Å
293	S	90	Very high	90.2	Very high	86 Å²	86	43.1 Å²	43.1	60%	0.601	22%	0.224	S	C	*	.	H	α-helix	trans	-69.3	-30.9	177.9	-58.4	0	0	0	0	113.1	L289 H290 H291	L289-S293 WeakPolarHBondContact O-CB 3.4Å; L289-S293 PolarHBondContact O-N 2.85Å; L289-S293 PolarHBondContact O-OG 3.32Å; H290-S293 PolarHBondContact O-N 2.91Å; H291-S293 VanDerWaalsContact C-N 3.27Å; H291-S293 PolarHBondContact O-N 3.22Å
294	S	88.6	Confident	89.9	Confident	33 Å²	33	44.1 Å²	44.1	23%	0.231	23%	0.229	C	C	.	.	H	α-helix	trans	-81.7	-45.3	-178.9	-52.8	0	0	0	0	110.7	H290 H291 L292 A296 K297 D298	H290-S294 PolarHBondContact CE1-OG 3.26Å; H290-S294 PolarHBondContact ND1-OG 2.89Å; H290-S294 WeakPolarHBondContact O-CB 3.31Å; H290-S294 PolarHBondContact O-N 2.85Å; H290-S294 PolarHBondContact O-OG 2.99Å; H291-S294 PolarHBondContact O-N 2.97Å; L292-S294 VanDerWaalsContact C-N 3.33Å; S294-A296 VanDerWaalsContact C-N 3.32Å; S294-A296 PolarHBondContact O-N 2.83Å; S294-K297 WeakPolarHBondContact O-CA 3.32Å; S294-K297 WeakPolarHBondContact O-CB 3.26Å; S294-K297 PolarHBondContact O-N 3.21Å; S294-D298 PolarHBondContact O-N 3.31Å
295	W	91	Very high	89.7	Confident	11 Å²	11	48 Å²	48	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-40.4	174.4	-55.9	-24.6	0	0	0	111.7	H291 L292 K297 D298 L299 F373 F452 Y455 K456 C478	H291-W295 HydrophobicContact CB-CD2 4.27Å; H291-W295 HydrophobicContact CB-CE3 4.46Å; H291-W295 HydrophobicContact CB-CH2 3.89Å; H291-W295 HydrophobicContact CB-CZ2 3.63Å; H291-W295 HydrophobicContact CB-CZ3 4.28Å; H291-W295 AromaticContact CG-CZ2 3.87Å; H291-W295 AromaticContact ND1-CE2 3.93Å; H291-W295 AromaticContact ND1-CZ2 3.68Å; H291-W295 AromaticContact ND1-NE1 3.91Å; H291-W295 VanDerWaalsContact O-CG 3.22Å; H291-W295 PolarHBondContact O-N 3Å; L292-W295 HydrophobicContact CD2-CE3 4.23Å; L292-W295 HydrophobicContact CD2-CZ3 4.29Å; W295-K297 VanDerWaalsContact C-N 3.25Å; W295-K297 PolarHBondContact O-N 3.01Å; W295-D298 PolarHBondContact O-N 3.27Å; W295-L299 HydrophobicContact CB-CD1 4.41Å; W295-L299 WeakPolarHBondContact O-CB 3.43Å; W295-L299 WeakPolarHBondContact O-CD1 3.46Å; W295-L299 WeakPolarHBondContact O-CG 3.43Å; W295-L299 PolarHBondContact O-N 2.94Å; W295-F373 HydrophobicContact CZ3-CE1 4.09Å; W295-F373 HydrophobicContact CZ3-CZ 4.2Å; W295-F452 HydrophobicContact CH2-CB 4.27Å; W295-F452 AromaticContact CH2-CD1 3.97Å; W295-F452 HydrophobicContact CH2-CD1 3.97Å; W295-F452 HydrophobicContact CZ2-CB 4.01Å; W295-F452 HydrophobicContact CZ2-CD1 4.34Å; W295-F452 WeakPolarHBondContact CZ2-O 3.19Å; W295-Y455 HydrophobicContact CH2-CD2 4.15Å; W295-Y455 HydrophobicContact CH2-CG 4.43Å; W295-K456 HydrophobicContact CZ2-CB 4.14Å; W295-C478 HydrophobicContact CB-CB 4.42Å; W295-C478 HydrophobicContact CE3-CB 3.93Å
296	A	88.6	Confident	89.6	Confident	20 Å²	20	47.1 Å²	47.1	17%	0.165	24%	0.239	C	C	.	.	H	α-helix	trans	-56.7	-39.4	173	0	0	0	0	0	112.3	L292 S294 H300	L292-A296 WeakPolarHBondContact O-CB 3.21Å; L292-A296 PolarHBondContact O-N 2.85Å; L292-A296 VanDerWaalsContact O-N 3.1Å; S294-A296 VanDerWaalsContact C-N 3.32Å; S294-A296 PolarHBondContact O-N 2.83Å; A296-H300 PolarHBondContact O-CD2 2.94Å; A296-H300 PolarHBondContact O-N 2.81Å; A296-H300 VanDerWaalsContact O-N 3.1Å
297	K	87	Confident	89.4	Confident	63 Å²	63	43 Å²	43	27%	0.274	22%	0.224	S	C	.	.	H	α-helix	trans	-69.6	-43	175.2	178.2	-116.1	176.6	-175.6	0	112.1	S294 W295 S301 Y679 N715	S294-K297 WeakPolarHBondContact O-CA 3.32Å; S294-K297 WeakPolarHBondContact O-CB 3.26Å; S294-K297 PolarHBondContact O-N 3.21Å; W295-K297 VanDerWaalsContact C-N 3.25Å; W295-K297 PolarHBondContact O-N 3.01Å; K297-S301 PolarHBondContact O-N 3.25Å; K297-S301 PolarHBondContact O-OG 3.39Å; K297-Y679 HydrophobicContact CG-CE1 4.06Å; K297-Y679 WeakPolarHBondContact CG-OH 3.13Å; K297-N715 PolarHBondContact NZ-O 2.98Å
298	D	87.6	Confident	89.1	Confident	52 Å²	52	47.6 Å²	47.6	28%	0.278	24%	0.241	S	C	.	.	H	α-helix	trans	-60.6	-46.7	176.1	-66	-3.8	0	0	0	111	S294 W295 S301 L302 K456	S294-D298 PolarHBondContact O-N 3.31Å; W295-D298 PolarHBondContact O-N 3.27Å; D298-S301 CarbonylContact O-C 3.56Å; D298-S301 WeakPolarHBondContact O-CA 3.45Å; D298-S301 VanDerWaalsContact O-CB 3.27Å; D298-S301 WeakPolarHBondContact O-CB 3.35Å; D298-S301 PolarHBondContact O-N 3.47Å; D298-L302 PolarHBondContact O-N 3.43Å; D298-K456 IonicContact OD2-NZ 3.13Å; D298-K456 PolarHBondContact OD2-NZ 2.92Å
299	L	90.2	Very high	88.7	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.016	25%	0.25	C	S	.	.	H	α-helix	trans	-69.3	-35.3	-178.4	-65.7	163.3	0	0	0	113.2	W295 S301 L302 V303 S459 E460 Y463 C478	W295-L299 HydrophobicContact CB-CD1 4.41Å; W295-L299 WeakPolarHBondContact O-CB 3.43Å; W295-L299 WeakPolarHBondContact O-CD1 3.46Å; W295-L299 WeakPolarHBondContact O-CG 3.43Å; W295-L299 PolarHBondContact O-N 2.94Å; L299-S301 PolarHBondContact O-N 2.8Å; L299-L302 HydrophobicContact CD2-CD2 4.17Å; L299-L302 PolarHBondContact O-N 3.28Å; L299-V303 WeakPolarHBondContact O-CB 3.38Å; L299-V303 WeakPolarHBondContact O-CG2 3.34Å; L299-V303 PolarHBondContact O-N 2.98Å; L299-S459 WeakPolarHBondContact CD1-OG 3.37Å; L299-E460 HydrophobicContact CD2-CG 4.32Å; L299-Y463 HydrophobicContact CD1-CD2 4.26Å; L299-Y463 HydrophobicContact CD1-CE2 3.85Å; L299-Y463 HydrophobicContact CD2-CD2 3.67Å; L299-Y463 HydrophobicContact CD2-CE2 4.09Å; L299-Y463 HydrophobicContact CD2-CG 3.94Å; L299-Y463 HydrophobicContact CG-CD2 4.44Å; L299-Y463 HydrophobicContact CG-CE2 4.39Å; L299-C478 HydrophobicContact CD1-CB 4.18Å
300	H	88.5	Confident	88.2	Confident	20 Å²	20	49.2 Å²	49.2	9%	0.093	26%	0.259	C	S	.	.	H	α-helix	trans	-60.6	-38.4	168.2	-76.3	-55.7	0	0	0	111.6	A296 E304 A475 K677	A296-H300 PolarHBondContact O-CD2 2.94Å; A296-H300 PolarHBondContact O-N 2.81Å; A296-H300 VanDerWaalsContact O-N 3.1Å; H300-E304 WeakPolarHBondContact O-CB 3.32Å; H300-E304 PolarHBondContact O-N 3.38Å; H300-E304 VanDerWaalsContact O-N 3.08Å; H300-A475 PolarHBondContact CE1-O 2.88Å; H300-A475 VanDerWaalsContact CE1-O 3.26Å; H300-K677 VanDerWaalsContact CD2-CD 3.44Å; H300-K677 WeakPolarHBondContact CD2-CD 3.43Å; H300-K677 PolarHBondContact CD2-NZ 3.35Å; H300-K677 WeakPolarHBondContact NE2-CD 3.19Å; H300-K677 PolarHBondContact NE2-NZ 3.37Å
301	S	85.7	Confident	87.7	Confident	28 Å²	28	54.9 Å²	54.9	20%	0.196	29%	0.286	C	S	.	.	H	α-helix	trans	-69	-43.8	177.4	-45.6	0	0	0	0	111	K297 D298 L299 E304 E305	K297-S301 PolarHBondContact O-N 3.25Å; K297-S301 PolarHBondContact O-OG 3.39Å; D298-S301 CarbonylContact O-C 3.56Å; D298-S301 WeakPolarHBondContact O-CA 3.45Å; D298-S301 VanDerWaalsContact O-CB 3.27Å; D298-S301 WeakPolarHBondContact O-CB 3.35Å; D298-S301 PolarHBondContact O-N 3.47Å; L299-S301 PolarHBondContact O-N 2.8Å; S301-E304 PolarHBondContact O-N 3.19Å; S301-E305 WeakPolarHBondContact O-CB 3.14Å; S301-E305 VanDerWaalsContact O-CG 3.3Å; S301-E305 WeakPolarHBondContact O-CG 3.33Å; S301-E305 PolarHBondContact O-N 3.28Å
302	L	88	Confident	87.2	Confident	46 Å²	46	55.2 Å²	55.2	24%	0.241	29%	0.287	C	S	.	.	H	α-helix	trans	-59.9	-46.6	176.3	-179.9	64	0	0	0	112.1	D298 L299 E305 M306	D298-L302 PolarHBondContact O-N 3.43Å; L299-L302 HydrophobicContact CD2-CD2 4.17Å; L299-L302 PolarHBondContact O-N 3.28Å; L302-E305 PolarHBondContact O-N 3.43Å; L302-M306 HydrophobicContact CD1-CG 4.32Å; L302-M306 HydrophobicContact CD1-SD 4.34Å; L302-M306 HydrophobicContact CG-CE 4.03Å; L302-M306 HydrophobicContact CG-SD 4.28Å; L302-M306 WeakPolarHBondContact O-CB 3.32Å; L302-M306 VanDerWaalsContact O-CG 3.3Å; L302-M306 WeakPolarHBondContact O-CG 3.38Å; L302-M306 PolarHBondContact O-N 3.5Å
303	V	89	Confident	86.7	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-40.1	176.9	169.5	0	0	0	0	111.5	L299 M306 R307 Y463 I473 A475	L299-V303 WeakPolarHBondContact O-CB 3.38Å; L299-V303 WeakPolarHBondContact O-CG2 3.34Å; L299-V303 PolarHBondContact O-N 2.98Å; V303-M306 HydrophobicContact CG2-CE 4.11Å; V303-R307 WeakPolarHBondContact O-CB 3.5Å; V303-R307 PolarHBondContact O-N 2.94Å; V303-Y463 HydrophobicContact CG2-CD1 3.65Å; V303-Y463 HydrophobicContact CG2-CE1 3.99Å; V303-I473 HydrophobicContact CG1-CB 4.21Å; V303-I473 HydrophobicContact CG1-CG2 4.34Å; V303-I473 WeakPolarHBondContact CG1-O 3.47Å; V303-I473 HydrophobicContact CG2-CG2 3.98Å; V303-A475 HydrophobicContact CG2-CB 4.37Å
304	E	87.1	Confident	86.8	Confident	62 Å²	62	54.7 Å²	54.7	29%	0.29	28%	0.279	S	S	.	.	H	α-helix	trans	-66	-37.5	176	-167.1	-178.4	142.9	0	0	112.2	H300 S301 K308	H300-E304 WeakPolarHBondContact O-CB 3.32Å; H300-E304 PolarHBondContact O-N 3.38Å; H300-E304 VanDerWaalsContact O-N 3.08Å; S301-E304 PolarHBondContact O-N 3.19Å; E304-K308 HydrophobicContact CG-CD 4.18Å; E304-K308 WeakPolarHBondContact O-CB 3.43Å; E304-K308 WeakPolarHBondContact O-CD 3.36Å; E304-K308 WeakPolarHBondContact O-CG 3.3Å; E304-K308 PolarHBondContact O-N 3.13Å; E304-K308 IonicContact OE1-NZ 3.59Å; E304-K308 PolarHBondContact OE1-NZ 2.98Å
305	E	86	Confident	87	Confident	96 Å²	96	55.6 Å²	55.6	45%	0.449	28%	0.282	S	S	.	.	H	α-helix	trans	-70.3	-46.8	176.5	-74.5	170.3	-166.2	0	0	111.8	S301 L302 R307 K308 N309 K717	S301-E305 WeakPolarHBondContact O-CB 3.14Å; S301-E305 VanDerWaalsContact O-CG 3.3Å; S301-E305 WeakPolarHBondContact O-CG 3.33Å; S301-E305 PolarHBondContact O-N 3.28Å; L302-E305 PolarHBondContact O-N 3.43Å; E305-R307 PolarHBondContact O-N 2.89Å; E305-K308 PolarHBondContact O-N 3.36Å; E305-K308 VanDerWaalsContact O-N 3.17Å; E305-N309 PolarHBondContact O-N 3.06Å; E305-K717 IonicContact OE1-NZ 2.98Å; E305-K717 PolarHBondContact OE1-NZ 2.86Å
306	M	87.2	Confident	87.2	Confident	25 Å²	25	55.6 Å²	55.6	12%	0.123	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-42.1	174.6	-69.2	-175.1	-54.2	0	0	112.2	L302 V303 K308 N309 S467	L302-M306 HydrophobicContact CD1-CG 4.32Å; L302-M306 HydrophobicContact CD1-SD 4.34Å; L302-M306 HydrophobicContact CG-CE 4.03Å; L302-M306 HydrophobicContact CG-SD 4.28Å; L302-M306 WeakPolarHBondContact O-CB 3.32Å; L302-M306 VanDerWaalsContact O-CG 3.3Å; L302-M306 WeakPolarHBondContact O-CG 3.38Å; L302-M306 PolarHBondContact O-N 3.5Å; V303-M306 HydrophobicContact CG2-CE 4.11Å; M306-K308 PolarHBondContact O-N 2.99Å; M306-N309 PolarHBondContact O-N 3.28Å; M306-S467 PolarHBondContact SD-OG 3.28Å
307	R	86.4	Confident	87.5	Confident	80 Å²	80	54.7 Å²	54.7	30%	0.302	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-26.8	177.4	-172	-177.6	-174.6	91.9	1.6	112.9	V303 E305 R471 D472	V303-R307 WeakPolarHBondContact O-CB 3.5Å; V303-R307 PolarHBondContact O-N 2.94Å; E305-R307 PolarHBondContact O-N 2.89Å; R307-R471 PolarHBondContact NH1-O 2.87Å; R307-D472 IonicContact CZ-OD1 2.61Å; R307-D472 IonicContact NH1-OD1 3.77Å; R307-D472 PolarHBondContact NH1-OD1 3.08Å; R307-D472 IonicContact NH2-OD1 2.68Å; R307-D472 PolarHBondContact NH2-OD1 3.5Å
308	K	85.6	Confident	87.7	Confident	117 Å²	117	57.3 Å²	57.3	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-91.1	-15.6	179	-74.2	172.4	-179	178.5	0	113.7	E304 E305 M306 P310	E304-K308 HydrophobicContact CG-CD 4.18Å; E304-K308 WeakPolarHBondContact O-CB 3.43Å; E304-K308 WeakPolarHBondContact O-CD 3.36Å; E304-K308 WeakPolarHBondContact O-CG 3.3Å; E304-K308 PolarHBondContact O-N 3.13Å; E304-K308 IonicContact OE1-NZ 3.59Å; E304-K308 PolarHBondContact OE1-NZ 2.98Å; E305-K308 PolarHBondContact O-N 3.36Å; E305-K308 VanDerWaalsContact O-N 3.17Å; M306-K308 PolarHBondContact O-N 2.99Å; K308-P310 WeakPolarHBondContact O-CD 3.45Å
309	N	86.6	Confident	88	Confident	59 Å²	59	60.1 Å²	60.1	32%	0.316	30%	0.301	S	S	.	.			trans	-73.3	117.4	176.8	-174.9	2.4	0	0	0	110.6	E305 M306 E311 H312	E305-N309 PolarHBondContact O-N 3.06Å; M306-N309 PolarHBondContact O-N 3.28Å; N309-E311 VanDerWaalsContact C-N 3.28Å; N309-E311 PolarHBondContact O-N 3.17Å; N309-E311 WeakPolarHBondContact OD1-CB 3.34Å; N309-E311 PolarHBondContact OD1-N 3.31Å; N309-H312 HydrophobicContact CB-CB 4.02Å; N309-H312 PolarHBondContact O-N 2.7Å
310	P	81.6	Confident	88.2	Confident	111 Å²	111	60.4 Å²	60.4	72%	0.721	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-31.3	176.3	27.3	-35	0	0	0	113	K308 H312 R471	K308-P310 WeakPolarHBondContact O-CD 3.45Å; P310-H312 PolarHBondContact O-N 3.49Å; P310-R471 PolarHBondContact O-NH2 3.06Å
311	E	82.4	Confident	88.4	Confident	161 Å²	161	62.4 Å²	62.4	75%	0.752	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.3	-177.7	-55.7	176.1	156.9	0	0	112.9	N309 N313	N309-E311 VanDerWaalsContact C-N 3.28Å; N309-E311 PolarHBondContact O-N 3.17Å; N309-E311 WeakPolarHBondContact OD1-CB 3.34Å; N309-E311 PolarHBondContact OD1-N 3.31Å; E311-N313 VanDerWaalsContact C-N 3.3Å; E311-N313 PolarHBondContact O-N 3.17Å
312	H	82.2	Confident	88.7	Confident	32 Å²	32	64.6 Å²	64.6	15%	0.148	32%	0.324	C	S	.	.			trans	-75.1	78.2	-175.4	-174.1	73.1	0	0	0	111.3	N309 P310 C314 S467 R471	N309-H312 HydrophobicContact CB-CB 4.02Å; N309-H312 PolarHBondContact O-N 2.7Å; P310-H312 PolarHBondContact O-N 3.49Å; H312-C314 PolarHBondContact O-N 2.72Å; H312-S467 PolarHBondContact CE1-OG 3.15Å; H312-S467 PolarHBondContact NE2-O 2.7Å; H312-S467 PolarHBondContact NE2-OG 3.02Å; H312-R471 PolarHBondContact O-NE 3.07Å; H312-R471 PolarHBondContact O-NH2 3.39Å
313	N	82.3	Confident	88.9	Confident	104 Å²	104	67.1 Å²	67.1	56%	0.556	34%	0.335	S	S	*	.			trans	-79.7	-0.5	-162.3	66.6	-13	0	0	0	116.7	E311 D315	E311-N313 VanDerWaalsContact C-N 3.3Å; E311-N313 PolarHBondContact O-N 3.17Å; N313-D315 WeakPolarHBondContact OD1-CB 3.28Å; N313-D315 PolarHBondContact OD1-N 3.3Å
314	C	91.5	Very high	88.9	Confident	18 Å²	18	67.2 Å²	67.2	12%	0.122	34%	0.335	C	S	.	.			trans	55.8	46.6	-171.6	-61	0	0	0	0	113.4	H312 L316 G317 M318 S467 R468	H312-C314 PolarHBondContact O-N 2.72Å; C314-L316 PolarHBondContact O-N 3.49Å; C314-G317 PolarHBondContact O-N 3.42Å; C314-G317 VanDerWaalsContact O-N 3.14Å; C314-M318 PolarHBondContact O-N 2.98Å; C314-M318 VanDerWaalsContact O-N 3.09Å; C314-S467 PolarHBondContact SG-O 2.88Å; C314-R468 CarbonylContact C-O 3.55Å; C314-R468 WeakPolarHBondContact CA-O 3.15Å
315	D	93.4	Very high	89	Confident	53 Å²	53	65.7 Å²	65.7	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-47	-52.7	178.2	57.1	-11.5	0	0	0	115	N313 G317 M318 E319 R468	N313-D315 WeakPolarHBondContact OD1-CB 3.28Å; N313-D315 PolarHBondContact OD1-N 3.3Å; D315-G317 VanDerWaalsContact C-N 3.27Å; D315-G317 PolarHBondContact O-N 3.28Å; D315-M318 PolarHBondContact O-N 2.79Å; D315-M318 VanDerWaalsContact O-N 3.11Å; D315-E319 WeakPolarHBondContact O-CB 3.18Å; D315-E319 PolarHBondContact O-N 3.21Å; D315-R468 VanDerWaalsContact OD1-CB 3.3Å; D315-R468 WeakPolarHBondContact OD1-CB 3.35Å; D315-R468 WeakPolarHBondContact OD1-CG 3.45Å; D315-R468 IonicContact OD1-CZ 3.08Å; D315-R468 IonicContact OD1-NE 2.69Å; D315-R468 PolarHBondContact OD1-NE 3.45Å; D315-R468 IonicContact OD1-NH2 3.11Å; D315-R468 IonicContact OD2-CZ 2.59Å; D315-R468 VanDerWaalsContact OD2-CZ 3.31Å; D315-R468 IonicContact OD2-NE 2.79Å; D315-R468 PolarHBondContact OD2-NE 3.41Å; D315-R468 VanDerWaalsContact OD2-NE 3.12Å; D315-R468 IonicContact OD2-NH2 2.6Å; D315-R468 PolarHBondContact OD2-NH2 3.05Å
316	L	94.8	Very high	89	Confident	11 Å²	11	64 Å²	64	6%	0.058	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-32.8	-179.9	-67.2	-177.8	0	0	0	112.9	C314 W320 T465 R468 F469 L525	C314-L316 PolarHBondContact O-N 3.49Å; L316-W320 WeakPolarHBondContact O-CB 3.48Å; L316-W320 PolarHBondContact O-N 2.91Å; L316-T465 HydrophobicContact CD1-CG2 4.45Å; L316-R468 HydrophobicContact CB-CB 3.97Å; L316-R468 HydrophobicContact CD1-CB 3.85Å; L316-R468 HydrophobicContact CG-CB 3.87Å; L316-R468 PolarHBondContact N-O 3.39Å; L316-F469 HydrophobicContact CB-CD1 4.34Å; L316-F469 HydrophobicContact CB-CD2 4.44Å; L316-F469 HydrophobicContact CB-CE1 3.98Å; L316-F469 HydrophobicContact CB-CE2 4.09Å; L316-F469 HydrophobicContact CB-CZ 3.84Å; L316-F469 HydrophobicContact CD1-CE2 3.85Å; L316-F469 HydrophobicContact CD1-CZ 4.02Å; L316-L525 HydrophobicContact CD1-CD2 3.71Å
317	G	93.8	Very high	89	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-48.3	172.1	0	0	0	0	0	111.4	C314 D315 Y321 R468 L488	C314-G317 PolarHBondContact O-N 3.42Å; C314-G317 VanDerWaalsContact O-N 3.14Å; D315-G317 VanDerWaalsContact C-N 3.27Å; D315-G317 PolarHBondContact O-N 3.28Å; G317-Y321 VanDerWaalsContact O-CB 3.29Å; G317-Y321 WeakPolarHBondContact O-CB 3.49Å; G317-Y321 PolarHBondContact O-N 2.76Å; G317-R468 PolarHBondContact N-O 2.78Å; G317-L488 WeakPolarHBondContact O-CD1 3.44Å
318	M	91.8	Very high	88.9	Confident	117 Å²	117	61.6 Å²	61.6	58%	0.576	32%	0.324	S	S	*	.	H	α-helix	trans	-66.2	-38.6	179.5	-63.1	-56.3	-58	0	0	112.8	C314 D315 S322	C314-M318 PolarHBondContact O-N 2.98Å; C314-M318 VanDerWaalsContact O-N 3.09Å; D315-M318 PolarHBondContact O-N 2.79Å; D315-M318 VanDerWaalsContact O-N 3.11Å; M318-S322 WeakPolarHBondContact O-CB 3.43Å; M318-S322 PolarHBondContact O-N 2.75Å; M318-S322 PolarHBondContact O-OG 2.92Å
319	E	94.3	Very high	88.5	Confident	112 Å²	112	60.3 Å²	60.3	52%	0.523	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-54	175	-177	177.9	-177.4	0	0	110.9	D315 Y321 S322 Q323	D315-E319 WeakPolarHBondContact O-CB 3.18Å; D315-E319 PolarHBondContact O-N 3.21Å; E319-Y321 VanDerWaalsContact C-N 3.34Å; E319-Y321 PolarHBondContact O-N 3.02Å; E319-S322 PolarHBondContact O-N 3.22Å; E319-Q323 PolarHBondContact O-N 3.09Å
320	W	94.9	Very high	88.1	Confident	9 Å²	9	64.2 Å²	64.2	3%	0.034	35%	0.35	C	S	.	.	H	α-helix	trans	-58.4	-43.7	177.6	177.3	88	0	0	0	112	L316 S322 Q323 I324 L488 L489 I513 I517 L518 Y521	L316-W320 WeakPolarHBondContact O-CB 3.48Å; L316-W320 PolarHBondContact O-N 2.91Å; W320-S322 VanDerWaalsContact C-N 3.34Å; W320-S322 PolarHBondContact O-N 3.12Å; W320-Q323 PolarHBondContact O-N 2.92Å; W320-I324 HydrophobicContact CD2-CG2 4.34Å; W320-I324 HydrophobicContact CE3-CG2 4.13Å; W320-I324 HydrophobicContact CH2-CG2 3.97Å; W320-I324 HydrophobicContact CZ2-CB 4.38Å; W320-I324 HydrophobicContact CZ2-CG1 4.34Å; W320-I324 HydrophobicContact CZ2-CG2 4.18Å; W320-I324 HydrophobicContact CZ3-CG2 3.95Å; W320-I324 VanDerWaalsContact O-CG2 3.31Å; W320-I324 WeakPolarHBondContact O-CG2 3.3Å; W320-I324 PolarHBondContact O-N 3.22Å; W320-L488 HydrophobicContact CE3-CD1 4.09Å; W320-L488 HydrophobicContact CE3-CG 4.16Å; W320-L488 HydrophobicContact CZ3-CD1 4.32Å; W320-L488 HydrophobicContact CZ3-CG 4.12Å; W320-L489 HydrophobicContact CH2-CD2 3.87Å; W320-L489 HydrophobicContact CZ3-CD2 4.27Å; W320-I513 HydrophobicContact CH2-CB 4.37Å; W320-I513 HydrophobicContact CH2-CD1 4.07Å; W320-I513 HydrophobicContact CH2-CG2 3.81Å; W320-I513 HydrophobicContact CZ2-CG2 4.33Å; W320-I513 HydrophobicContact CZ3-CD1 4.11Å; W320-I517 HydrophobicContact CZ2-CB 4.42Å; W320-I517 HydrophobicContact CZ2-CG2 4.02Å; W320-L518 HydrophobicContact CD2-CD1 3.75Å; W320-L518 HydrophobicContact CE3-CD1 4.02Å; W320-L518 HydrophobicContact CG-CD1 4.18Å; W320-L518 HydrophobicContact CH2-CB 3.78Å; W320-L518 HydrophobicContact CH2-CD1 4.43Å; W320-L518 HydrophobicContact CH2-CG 4.46Å; W320-L518 HydrophobicContact CZ2-CB 3.6Å; W320-L518 HydrophobicContact CZ2-CD1 4.19Å; W320-L518 HydrophobicContact CZ2-CG 4.41Å; W320-L518 HydrophobicContact CZ3-CB 4.41Å; W320-L518 HydrophobicContact CZ3-CD1 4.35Å; W320-L518 HydrophobicContact CZ3-CD2 4.41Å; W320-Y521 HydrophobicContact CB-CE1 4.31Å; W320-Y521 AromaticContact CD1-CD1 3.5Å; W320-Y521 VanDerWaalsContact CD1-CD1 3.5Å; W320-Y521 AromaticContact CD1-CE1 3.9Å; W320-Y521 AromaticContact CD1-CG 3.68Å; W320-Y521 HydrophobicContact CG-CD1 4.21Å; W320-Y521 HydrophobicContact CG-CE1 4.39Å
321	Y	92.4	Very high	87.5	Confident	61 Å²	61	61.4 Å²	61.4	24%	0.239	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-40.6	178	-171.7	-90.8	0	0	0	112.1	G317 E319 S325 L488 I490 I513	G317-Y321 VanDerWaalsContact O-CB 3.29Å; G317-Y321 WeakPolarHBondContact O-CB 3.49Å; G317-Y321 PolarHBondContact O-N 2.76Å; E319-Y321 VanDerWaalsContact C-N 3.34Å; E319-Y321 PolarHBondContact O-N 3.02Å; Y321-S325 VanDerWaalsContact CE1-OG 3.3Å; Y321-S325 WeakPolarHBondContact CE1-OG 3.44Å; Y321-S325 WeakPolarHBondContact O-CB 3.39Å; Y321-S325 PolarHBondContact O-N 3.15Å; Y321-S325 PolarHBondContact O-OG 3.04Å; Y321-L488 HydrophobicContact CD2-CD1 4.15Å; Y321-L488 WeakPolarHBondContact CD2-O 3.4Å; Y321-L488 HydrophobicContact CG-CD1 4.39Å; Y321-I490 PolarHBondContact OH-O 2.7Å; Y321-I513 HydrophobicContact CD2-CD1 4.05Å; Y321-I513 HydrophobicContact CE2-CD1 3.86Å
322	S	91.8	Very high	86.5	Confident	74 Å²	74	61 Å²	61	52%	0.517	34%	0.341	S	S	.	.	H	α-helix	trans	-65.4	-43.6	177.8	-57.9	0	0	0	0	111.2	M318 E319 W320 S326	M318-S322 WeakPolarHBondContact O-CB 3.43Å; M318-S322 PolarHBondContact O-N 2.75Å; M318-S322 PolarHBondContact O-OG 2.92Å; E319-S322 PolarHBondContact O-N 3.22Å; W320-S322 VanDerWaalsContact C-N 3.34Å; W320-S322 PolarHBondContact O-N 3.12Å; S322-S326 PolarHBondContact O-N 3.36Å; S322-S326 VanDerWaalsContact O-N 3.11Å
323	Q	91.6	Very high	85.3	Confident	100 Å²	100	63 Å²	63	47%	0.467	35%	0.353	S	S	.	.	H	α-helix	trans	-63.9	-52	176.9	-172.9	179.6	12.3	0	0	111.7	E319 W320 S325 S326 D327	E319-Q323 PolarHBondContact O-N 3.09Å; W320-Q323 PolarHBondContact O-N 2.92Å; Q323-S325 VanDerWaalsContact C-N 3.31Å; Q323-S325 PolarHBondContact O-N 3.11Å; Q323-S326 WeakPolarHBondContact O-CB 3.48Å; Q323-S326 PolarHBondContact O-N 2.86Å; Q323-D327 PolarHBondContact O-N 2.69Å
324	I	90.3	Very high	84.5	Confident	9 Å²	9	63.8 Å²	63.8	5%	0.046	36%	0.357	C	S	.	.	H	α-helix	trans	-68.1	-30.8	-177	-163.4	61.4	0	0	0	112.2	W320 D327 L328 K336 I513 I517	W320-I324 HydrophobicContact CD2-CG2 4.34Å; W320-I324 HydrophobicContact CE3-CG2 4.13Å; W320-I324 HydrophobicContact CH2-CG2 3.97Å; W320-I324 HydrophobicContact CZ2-CB 4.38Å; W320-I324 HydrophobicContact CZ2-CG1 4.34Å; W320-I324 HydrophobicContact CZ2-CG2 4.18Å; W320-I324 HydrophobicContact CZ3-CG2 3.95Å; W320-I324 VanDerWaalsContact O-CG2 3.31Å; W320-I324 WeakPolarHBondContact O-CG2 3.3Å; W320-I324 PolarHBondContact O-N 3.22Å; I324-D327 HydrophobicContact CD1-CB 4.34Å; I324-D327 WeakPolarHBondContact O-CB 3.43Å; I324-L328 HydrophobicContact CG1-CD1 4.32Å; I324-L328 VanDerWaalsContact O-CB 3.31Å; I324-L328 WeakPolarHBondContact O-CB 3.5Å; I324-L328 WeakPolarHBondContact O-CD1 3.35Å; I324-L328 WeakPolarHBondContact O-CG 3.21Å; I324-L328 PolarHBondContact O-N 3.45Å; I324-K336 HydrophobicContact CD1-CD 4Å; I324-I513 HydrophobicContact CG1-CG2 4.13Å; I324-I513 HydrophobicContact CG2-CD1 3.75Å; I324-I517 HydrophobicContact CD1-CG2 4.14Å
325	S	87.4	Confident	83.8	Confident	29 Å²	29	69.4 Å²	69.4	20%	0.203	38%	0.38	C	S	.	.	H	α-helix	trans	-68.5	-39.4	173.7	-61	0	0	0	0	112.1	Y321 Q323 L328 S329	Y321-S325 VanDerWaalsContact CE1-OG 3.3Å; Y321-S325 WeakPolarHBondContact CE1-OG 3.44Å; Y321-S325 WeakPolarHBondContact O-CB 3.39Å; Y321-S325 PolarHBondContact O-N 3.15Å; Y321-S325 PolarHBondContact O-OG 3.04Å; Q323-S325 VanDerWaalsContact C-N 3.31Å; Q323-S325 PolarHBondContact O-N 3.11Å; S325-L328 PolarHBondContact O-N 3.09Å; S325-S329 PolarHBondContact O-N 2.91Å
326	S	87.1	Confident	83.5	Confident	62 Å²	62	69.3 Å²	69.3	43%	0.434	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-51.6	171.7	-172.4	0	0	0	0	111.3	S322 Q323 L328 S329 L330	S322-S326 PolarHBondContact O-N 3.36Å; S322-S326 VanDerWaalsContact O-N 3.11Å; Q323-S326 WeakPolarHBondContact O-CB 3.48Å; Q323-S326 PolarHBondContact O-N 2.86Å; S326-L328 VanDerWaalsContact C-N 3.27Å; S326-L328 PolarHBondContact O-N 3.41Å; S326-S329 PolarHBondContact O-N 2.9Å; S326-S329 VanDerWaalsContact O-N 3.17Å; S326-S329 PolarHBondContact O-OG 2.97Å; S326-L330 WeakPolarHBondContact O-CG 3.46Å; S326-L330 PolarHBondContact O-N 3.27Å; S326-L330 VanDerWaalsContact O-N 3.16Å
327	D	86.2	Confident	83.2	Confident	38 Å²	38	70 Å²	70	20%	0.203	38%	0.38	C	S	.	.	H	α-helix	trans	-51.5	-43.6	173.1	-89.7	25.1	0	0	0	112.9	Q323 I324 L330 S331 K336	Q323-D327 PolarHBondContact O-N 2.69Å; I324-D327 HydrophobicContact CD1-CB 4.34Å; I324-D327 WeakPolarHBondContact O-CB 3.43Å; D327-L330 PolarHBondContact O-N 2.97Å; D327-S331 WeakPolarHBondContact O-CB 3.49Å; D327-S331 PolarHBondContact O-N 3.12Å; D327-K336 IonicContact OD2-NZ 3.74Å; D327-K336 PolarHBondContact OD2-NZ 3.13Å
328	L	84.3	Confident	82.9	Confident	16 Å²	16	70.9 Å²	70.9	8%	0.084	38%	0.384	C	S	.	.	H	α-helix	trans	-68.9	-38.4	-179.3	-78.8	169.4	0	0	0	112.1	I324 S325 S326 L330 S331 K336 I337 Y491 I513	I324-L328 HydrophobicContact CG1-CD1 4.32Å; I324-L328 VanDerWaalsContact O-CB 3.31Å; I324-L328 WeakPolarHBondContact O-CB 3.5Å; I324-L328 WeakPolarHBondContact O-CD1 3.35Å; I324-L328 WeakPolarHBondContact O-CG 3.21Å; I324-L328 PolarHBondContact O-N 3.45Å; S325-L328 PolarHBondContact O-N 3.09Å; S326-L328 VanDerWaalsContact C-N 3.27Å; S326-L328 PolarHBondContact O-N 3.41Å; L328-L330 VanDerWaalsContact C-N 3.26Å; L328-L330 PolarHBondContact O-N 2.76Å; L328-S331 PolarHBondContact O-N 3.03Å; L328-K336 HydrophobicContact CD2-CB 3.47Å; L328-K336 VanDerWaalsContact CD2-CB 3.47Å; L328-K336 HydrophobicContact CD2-CD 4.13Å; L328-K336 HydrophobicContact CD2-CG 4.42Å; L328-I337 HydrophobicContact CD1-CD1 4.5Å; L328-I337 HydrophobicContact CD1-CG1 4.27Å; L328-I337 HydrophobicContact CD2-CD1 3.89Å; L328-I337 HydrophobicContact CD2-CG1 3.77Å; L328-Y491 HydrophobicContact CB-CE2 3.94Å; L328-Y491 HydrophobicContact CD1-CD2 3.66Å; L328-Y491 HydrophobicContact CD1-CE2 3.53Å; L328-Y491 HydrophobicContact CD1-CG 4.47Å; L328-Y491 HydrophobicContact CG-CE2 4.34Å; L328-I513 HydrophobicContact CD1-CG1 4.21Å
329	S	78.8	Confident	82.7	Confident	90 Å²	90	68.4 Å²	68.4	63%	0.629	37%	0.371	S	S	*	.	H	α-helix	trans	-66.6	-25.9	174.4	74	0	0	0	0	114	S325 S326	S325-S329 PolarHBondContact O-N 2.91Å; S326-S329 PolarHBondContact O-N 2.9Å; S326-S329 VanDerWaalsContact O-N 3.17Å; S326-S329 PolarHBondContact O-OG 2.97Å
330	L	76.5	Confident	82.4	Confident	141 Å²	141	63.1 Å²	63.1	74%	0.738	35%	0.347	S	S	*	.	H	α-helix	trans	-93.9	-18.3	-178.7	-67.7	171.2	0	0	0	112.9	S326 D327 L328	S326-L330 WeakPolarHBondContact O-CG 3.46Å; S326-L330 PolarHBondContact O-N 3.27Å; S326-L330 VanDerWaalsContact O-N 3.16Å; D327-L330 PolarHBondContact O-N 2.97Å; L328-L330 VanDerWaalsContact C-N 3.26Å; L328-L330 PolarHBondContact O-N 2.76Å
331	S	68.9	Low	82	Confident	51 Å²	51	64 Å²	64	36%	0.357	35%	0.351	S	S	.	.			trans	-109.6	120.1	-172.4	-161.2	0	0	0	0	112.8	D327 L328 N333	D327-S331 WeakPolarHBondContact O-CB 3.49Å; D327-S331 PolarHBondContact O-N 3.12Å; L328-S331 PolarHBondContact O-N 3.03Å; S331-N333 PolarHBondContact O-N 2.93Å; S331-N333 VanDerWaalsContact O-N 3.13Å; S331-N333 WeakPolarHBondContact OG-CB 3.38Å; S331-N333 PolarHBondContact OG-N 3.16Å
332	T	61.8	Low	81.7	Confident	153 Å²	153	61 Å²	61	94%	0.939	34%	0.34	S	S	*	.			trans	-69.2	-1.3	168.4	53	0	0	0	0	113.5	N334	T332-N334 PolarHBondContact O-N 2.8Å; T332-N334 VanDerWaalsContact O-N 3.12Å
333	N	56.5	Low	81.2	Confident	74 Å²	74	59 Å²	59	40%	0.396	32%	0.32	S	S	.	.			trans	-84.9	86.2	-174.2	-169.1	3.2	0	0	0	111.5	S331 K335	S331-N333 PolarHBondContact O-N 2.93Å; S331-N333 VanDerWaalsContact O-N 3.13Å; S331-N333 WeakPolarHBondContact OG-CB 3.38Å; S331-N333 PolarHBondContact OG-N 3.16Å; N333-K335 PolarHBondContact O-N 2.92Å; N333-K335 WeakPolarHBondContact OD1-CG 3.48Å
334	N	67.1	Low	80.6	Confident	120 Å²	120	54.5 Å²	54.5	64%	0.642	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-55.1	-14.2	-173.1	-155.3	23.6	0	0	0	115.4	T332 K336 I337	T332-N334 PolarHBondContact O-N 2.8Å; T332-N334 VanDerWaalsContact O-N 3.12Å; N334-K336 PolarHBondContact O-N 2.86Å; N334-K336 VanDerWaalsContact O-N 3.1Å; N334-I337 PolarHBondContact O-N 2.83Å; N334-I337 VanDerWaalsContact O-O 3.09Å
335	K	77	Confident	79.9	Confident	137 Å²	137	55.1 Å²	55.1	60%	0.596	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-60.6	-16.8	-178.5	-63.5	179.1	-178.9	176.5	0	115.8	N333 I337	N333-K335 PolarHBondContact O-N 2.92Å; N333-K335 WeakPolarHBondContact OD1-CG 3.48Å; K335-I337 VanDerWaalsContact C-N 3.34Å
336	K	86.9	Confident	79.1	Confident	50 Å²	50	54 Å²	54	22%	0.217	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-77.1	-21.1	175.2	-77.2	-174.1	170.5	178.8	0	112.7	I324 D327 L328 N334 N514 I517	I324-K336 HydrophobicContact CD1-CD 4Å; D327-K336 IonicContact OD2-NZ 3.74Å; D327-K336 PolarHBondContact OD2-NZ 3.13Å; L328-K336 HydrophobicContact CD2-CB 3.47Å; L328-K336 VanDerWaalsContact CD2-CB 3.47Å; L328-K336 HydrophobicContact CD2-CD 4.13Å; L328-K336 HydrophobicContact CD2-CG 4.42Å; N334-K336 PolarHBondContact O-N 2.86Å; N334-K336 VanDerWaalsContact O-N 3.1Å; K336-N514 WeakPolarHBondContact O-CB 3.48Å; K336-N514 PolarHBondContact O-N 3.06Å; K336-I517 HydrophobicContact CB-CD1 3.92Å; K336-I517 HydrophobicContact CG-CD1 3.84Å
337	I	88.2	Confident	77.9	Confident	27 Å²	27	55.4 Å²	55.4	14%	0.138	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	150.1	175	-66.6	165.5	0	0	0	108.5	L328 N334 K335 Y491 Q511 I512	L328-I337 HydrophobicContact CD1-CD1 4.5Å; L328-I337 HydrophobicContact CD1-CG1 4.27Å; L328-I337 HydrophobicContact CD2-CD1 3.89Å; L328-I337 HydrophobicContact CD2-CG1 3.77Å; N334-I337 PolarHBondContact O-N 2.83Å; N334-I337 VanDerWaalsContact O-O 3.09Å; K335-I337 VanDerWaalsContact C-N 3.34Å; I337-Y491 HydrophobicContact CD1-CD1 3.54Å; I337-Y491 HydrophobicContact CD1-CE1 3.49Å; I337-Y491 VanDerWaalsContact CD1-CE1 3.49Å; I337-Y491 HydrophobicContact CD1-CG 4.18Å; I337-Y491 HydrophobicContact CG1-CD1 4.23Å; I337-Y491 HydrophobicContact CG1-CG 4.46Å; I337-Q511 HydrophobicContact CG2-CB 3.87Å; I337-Q511 HydrophobicContact CG2-CG 4.12Å; I337-I512 CarbonylContact C-O 3.58Å; I337-I512 WeakPolarHBondContact CA-O 3.49Å
338	I	88	Confident	77	Confident	18 Å²	18	59 Å²	59	9%	0.092	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131	168.5	-51.9	-176.5	0	0	0	108.3	L340 I512 N514 W560	I338-L340 HydrophobicContact CG2-CD2 4.38Å; I338-I512 HydrophobicContact CB-CG1 4.08Å; I338-I512 PolarHBondContact N-O 3.25Å; I338-I512 PolarHBondContact O-N 2.84Å; I338-N514 HydrophobicContact CD1-CB 3.94Å; I338-N514 HydrophobicContact CG1-CB 3.94Å; I338-W560 HydrophobicContact CD1-CE3 4.24Å; I338-W560 HydrophobicContact CD1-CH2 3.82Å; I338-W560 HydrophobicContact CD1-CZ3 3.43Å; I338-W560 VanDerWaalsContact CD1-CZ3 3.43Å; I338-W560 HydrophobicContact CG2-CH2 4.11Å; I338-W560 HydrophobicContact CG2-CZ3 4.4Å
339	E	87.5	Confident	76.3	Confident	65 Å²	65	62.1 Å²	62.1	30%	0.304	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119	171.6	-159.2	173.4	145.4	0	0	109.8	H341 T509 S586	E339-H341 IonicContact OE1-CE1 2.63Å; E339-H341 PolarHBondContact OE1-CE1 2.83Å; E339-H341 IonicContact OE1-ND1 3.78Å; E339-H341 IonicContact OE1-NE2 3.68Å; E339-T509 VanDerWaalsContact CD-CG2 3.49Å; E339-T509 HydrophobicContact CG-CG2 3.52Å; E339-T509 WeakPolarHBondContact OE1-CG2 3.36Å; E339-T509 PolarHBondContact OE1-OG1 2.69Å; E339-S586 PolarHBondContact O-N 2.99Å; E339-S586 VanDerWaalsContact O-N 3.17Å
340	L	88	Confident	75.6	Confident	1 Å²	1	61 Å²	61	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121	177.2	-72.1	-176	0	0	0	110.1	I338 P361 Y510 I512 W560 L562 W583	I338-L340 HydrophobicContact CG2-CD2 4.38Å; L340-P361 HydrophobicContact CD1-CB 4.2Å; L340-P361 HydrophobicContact CD1-CG 3.66Å; L340-Y510 PolarHBondContact N-O 2.83Å; L340-Y510 PolarHBondContact O-N 3.12Å; L340-I512 HydrophobicContact CD1-CD1 3.64Å; L340-I512 HydrophobicContact CD1-CG1 4.11Å; L340-I512 HydrophobicContact CD1-CG2 4.42Å; L340-I512 HydrophobicContact CG-CD1 4.18Å; L340-I512 HydrophobicContact CG-CG1 4.31Å; L340-W560 HydrophobicContact CD2-CH2 3.99Å; L340-W560 HydrophobicContact CD2-CZ2 4.25Å; L340-L562 HydrophobicContact CD2-CD1 4.12Å; L340-L562 HydrophobicContact CD2-CD2 3.8Å; L340-W583 HydrophobicContact CB-CE3 3.89Å; L340-W583 HydrophobicContact CB-CZ3 3.78Å
341	H	86.1	Confident	74.9	Confident	27 Å²	27	59 Å²	59	13%	0.125	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.7	-177.1	-62.2	-93.6	0	0	0	110.2	E339 E507 W583 Y584	E339-H341 IonicContact OE1-CE1 2.63Å; E339-H341 PolarHBondContact OE1-CE1 2.83Å; E339-H341 IonicContact OE1-ND1 3.78Å; E339-H341 IonicContact OE1-NE2 3.68Å; H341-E507 HydrophobicContact CB-CG 4.43Å; H341-E507 IonicContact CG-OE1 3.73Å; H341-E507 IonicContact ND1-OE1 3.93Å; H341-E507 PolarHBondContact ND1-OE1 2.99Å; H341-W583 CarbonylContact O-C 3.58Å; H341-W583 WeakPolarHBondContact O-CA 3.3Å; H341-Y584 PolarHBondContact N-O 2.91Å; H341-Y584 PolarHBondContact O-N 2.75Å
342	A	85.6	Confident	75	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	108.1	169.5	0	0	0	0	0	109.5	P358 E507 A508 W581 R582 W583	A342-P358 HydrophobicContact CB-CB 3.89Å; A342-P358 HydrophobicContact CB-CG 3.98Å; A342-E507 CarbonylContact O-C 3.48Å; A342-E507 VanDerWaalsContact O-CA 3.29Å; A342-E507 WeakPolarHBondContact O-CA 3.1Å; A342-E507 WeakPolarHBondContact O-CG 3.21Å; A342-A508 PolarHBondContact N-O 3.38Å; A342-A508 PolarHBondContact O-N 2.7Å; A342-W581 HydrophobicContact CB-CE3 3.95Å; A342-W581 WeakPolarHBondContact O-CZ3 3.47Å; A342-R582 CarbonylContact C-O 3.57Å; A342-R582 WeakPolarHBondContact CA-O 3.4Å; A342-W583 HydrophobicContact CB-CD2 3.92Å; A342-W583 HydrophobicContact CB-CE3 3.88Å; A342-W583 HydrophobicContact CB-CH2 3.87Å; A342-W583 HydrophobicContact CB-CZ2 3.86Å; A342-W583 HydrophobicContact CB-CZ3 3.86Å
343	R	81.8	Confident	75.4	Confident	30 Å²	30	57.2 Å²	57.2	11%	0.113	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.7	172.2	-174.2	-179.7	-76.1	-154.8	-13.3	110.3	D503 N505 W506 E507 W581 R582 Y584	R343-D503 IonicContact NH2-OD2 3.53Å; R343-D503 PolarHBondContact NH2-OD2 2.86Å; R343-N505 HydrophobicContact CG-CB 4.24Å; R343-W506 WeakPolarHBondContact CA-O 3.32Å; R343-E507 IonicContact NE-OE2 3.59Å; R343-E507 IonicContact NH2-OE2 3.76Å; R343-W581 CarbonylContact O-C 3.58Å; R343-W581 WeakPolarHBondContact O-CA 3.34Å; R343-R582 PolarHBondContact N-O 2.98Å; R343-R582 PolarHBondContact O-N 3.34Å; R343-Y584 HydrophobicContact CB-CE2 4.01Å
344	Y	79.4	Confident	76.1	Confident	6 Å²	6	53.8 Å²	53.8	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137	171.2	-174.5	-121.6	0	0	0	110.4	N346 S352 P354 W506 E579 W581	Y344-N346 HydrophobicContact CE1-CB 3.88Å; Y344-S352 WeakPolarHBondContact CE1-O 3.06Å; Y344-P354 HydrophobicContact CD1-CB 3.98Å; Y344-P354 HydrophobicContact CD2-CB 3.75Å; Y344-P354 HydrophobicContact CE1-CB 4.04Å; Y344-P354 HydrophobicContact CE2-CB 3.83Å; Y344-P354 HydrophobicContact CG-CB 3.83Å; Y344-W506 PolarHBondContact N-O 3.48Å; Y344-E579 HydrophobicContact CE2-CB 4.31Å; Y344-E579 WeakPolarHBondContact OH-CG 3.47Å; Y344-W581 HydrophobicContact CD2-CD2 4.14Å; Y344-W581 AromaticContact CD2-CE2 3.95Å; Y344-W581 HydrophobicContact CD2-CG 4.4Å; Y344-W581 HydrophobicContact CD2-CZ2 4.36Å
345	V	74.6	Confident	76.3	Confident	23 Å²	23	55 Å²	55	14%	0.139	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.8	173.8	-174.6	0	0	0	0	109.3	E579 S580 R582	V345-E579 WeakPolarHBondContact O-CA 3.38Å; V345-S580 PolarHBondContact N-O 3.29Å; V345-S580 PolarHBondContact O-N 2.98Å; V345-R582 HydrophobicContact CG2-CG 4.23Å
346	N	70.6	Confident	76.1	Confident	6 Å²	6	52 Å²	52	3%	0.032	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	114.6	169	-174.6	-13.7	0	0	0	109.9	Y344 N348 N349 S352 N578 E579	Y344-N346 HydrophobicContact CE1-CB 3.88Å; N346-N348 VanDerWaalsContact C-N 3.28Å; N346-N348 PolarHBondContact O-N 3.1Å; N346-N348 WeakPolarHBondContact OD1-CB 3.43Å; N346-N348 PolarHBondContact OD1-N 2.85Å; N346-N349 WeakPolarHBondContact CB-O 3.41Å; N346-N349 CarbonylContact O-C 3.29Å; N346-N349 PolarHBondContact OD1-N 2.84Å; N346-S352 PolarHBondContact ND2-OG 2.91Å; N346-N578 CarbonylContact C-O 3.54Å; N346-N578 VanDerWaalsContact CA-O 3.27Å; N346-N578 WeakPolarHBondContact CA-O 3.48Å; N346-N578 PolarHBondContact OD1-O 3.01Å; N346-E579 HydrophobicContact CB-CG 3.97Å; N346-E579 VanDerWaalsContact CG-CG 3.43Å; N346-E579 WeakPolarHBondContact ND2-CG 3.05Å; N346-E579 PolarHBondContact ND2-OE1 3.1Å
347	C	62.2	Low	75.6	Confident	90 Å²	90	55.4 Å²	55.4	61%	0.608	29%	0.292	S	S	*	.	S	Bend	trans	-80.8	-2.3	-179.1	66.2	0	0	0	0	114.8	N578	C347-N578 PolarHBondContact N-O 3.22Å; C347-N578 WeakPolarHBondContact SG-CB 3.3Å; C347-N578 VanDerWaalsContact SG-CG 3.53Å
348	N	67.9	Low	75.1	Confident	115 Å²	115	54.5 Å²	54.5	62%	0.615	29%	0.288	S	S	*	.	S	Bend	trans	-92.4	-36.9	168.9	-63.2	-30	0	0	0	112.4	N346 N578	N346-N348 VanDerWaalsContact C-N 3.28Å; N346-N348 PolarHBondContact O-N 3.1Å; N346-N348 WeakPolarHBondContact OD1-CB 3.43Å; N346-N348 PolarHBondContact OD1-N 2.85Å; N348-N578 PolarHBondContact ND2-ND2 2.97Å; N348-N578 PolarHBondContact OD1-ND2 2.85Å
349	N	68.5	Low	74.6	Confident	81 Å²	81	60.2 Å²	60.2	43%	0.433	31%	0.314	S	S	.	.			trans	-158.5	95.4	-178.8	179.7	1.5	0	0	0	110	N346 N351 S352	N346-N349 WeakPolarHBondContact CB-O 3.41Å; N346-N349 CarbonylContact O-C 3.29Å; N346-N349 PolarHBondContact OD1-N 2.84Å; N349-N351 PolarHBondContact O-N 2.82Å; N349-N351 VanDerWaalsContact O-N 3.16Å; N349-N351 PolarHBondContact OD1-N 2.85Å; N349-S352 VanDerWaalsContact O-CB 3.31Å; N349-S352 WeakPolarHBondContact O-CB 3.17Å; N349-S352 PolarHBondContact O-N 2.82Å; N349-S352 VanDerWaalsContact O-N 3.08Å; N349-S352 PolarHBondContact O-OG 3.48Å
350	P	63.6	Low	74.3	Confident	66 Å²	66	61.4 Å²	61.4	43%	0.429	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-34.6	-179.1	-27.9	35.9	0	0	0	113.7	S352	P350-S352 PolarHBondContact O-N 2.9Å
351	N	63.2	Low	74.2	Confident	100 Å²	100	61.6 Å²	61.6	54%	0.535	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	0.5	-175.6	-58.3	10.2	0	0	0	113.1	N349 S504	N349-N351 PolarHBondContact O-N 2.82Å; N349-N351 VanDerWaalsContact O-N 3.16Å; N349-N351 PolarHBondContact OD1-N 2.85Å; N351-S504 WeakPolarHBondContact OD1-CB 3.46Å
352	S	70	Confident	74.4	Confident	22 Å²	22	64 Å²	64	15%	0.154	33%	0.331	C	S	.	.	S	Bend	trans	-66.3	139.1	177.1	57.5	0	0	0	0	112	Y344 N346 N349 P350 W506	Y344-S352 WeakPolarHBondContact CE1-O 3.06Å; N346-S352 PolarHBondContact ND2-OG 2.91Å; N349-S352 VanDerWaalsContact O-CB 3.31Å; N349-S352 WeakPolarHBondContact O-CB 3.17Å; N349-S352 PolarHBondContact O-N 2.82Å; N349-S352 VanDerWaalsContact O-N 3.08Å; N349-S352 PolarHBondContact O-OG 3.48Å; P350-S352 PolarHBondContact O-N 2.9Å; S352-W506 VanDerWaalsContact O-CD1 3.29Å; S352-W506 PolarHBondContact O-NE1 3.01Å; S352-W506 VanDerWaalsContact O-NE1 3.15Å
353	Y	70.2	Confident	74.8	Confident	143 Å²	143	64.2 Å²	64.2	56%	0.561	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-63.9	132.8	172.9	-171.5	-83	0	0	0	110.1	L355 W506	Y353-L355 PolarHBondContact O-N 2.89Å; Y353-W506 AromaticContact CD2-CH2 3.44Å; Y353-W506 HydrophobicContact CD2-CH2 3.44Å; Y353-W506 VanDerWaalsContact CD2-CH2 3.44Å; Y353-W506 AromaticContact CD2-CZ2 3.51Å; Y353-W506 HydrophobicContact CD2-CZ2 3.51Å; Y353-W506 HydrophobicContact CD2-CZ3 4.01Å; Y353-W506 HydrophobicContact CE2-CE3 4.46Å; Y353-W506 AromaticContact CE2-CH2 3.65Å; Y353-W506 HydrophobicContact CE2-CH2 3.65Å; Y353-W506 HydrophobicContact CE2-CZ2 4.18Å; Y353-W506 AromaticContact CE2-CZ3 3.81Å; Y353-W506 HydrophobicContact CE2-CZ3 3.81Å; Y353-W506 HydrophobicContact CG-CZ2 4.35Å
354	P	72.6	Confident	75.5	Confident	2 Å²	2	63 Å²	63	1%	0.013	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-68.1	119.7	-178.5	26.7	-34.8	0	0	0	111.5	Y344 S356 I497 W506 W581	Y344-P354 HydrophobicContact CD1-CB 3.98Å; Y344-P354 HydrophobicContact CD2-CB 3.75Å; Y344-P354 HydrophobicContact CE1-CB 4.04Å; Y344-P354 HydrophobicContact CE2-CB 3.83Å; Y344-P354 HydrophobicContact CG-CB 3.83Å; P354-S356 PolarHBondContact O-N 2.82Å; P354-I497 HydrophobicContact CG-CG2 4.42Å; P354-W506 HydrophobicContact CG-CB 4.12Å; P354-W506 HydrophobicContact CG-CD2 4.34Å; P354-W506 HydrophobicContact CG-CG 4.07Å; P354-W581 HydrophobicContact CB-CH2 4.14Å; P354-W581 HydrophobicContact CB-CZ2 3.4Å; P354-W581 HydrophobicContact CG-CH2 3.95Å; P354-W581 HydrophobicContact CG-CZ2 3.61Å
355	L	70.7	Confident	76.4	Confident	146 Å²	146	62.7 Å²	62.7	76%	0.764	33%	0.327	S	S	*	.	S	Bend	trans	-66.7	-6	-178	-62.9	176.6	0	0	0	114.3	Y353	Y353-L355 PolarHBondContact O-N 2.89Å
356	S	73.5	Confident	77.5	Confident	74 Å²	74	61.7 Å²	61.7	52%	0.517	32%	0.32	S	S	.	.	S	Bend	trans	-149.8	149.8	175.8	59.5	0	0	0	0	110.9	P354 W581	P354-S356 PolarHBondContact O-N 2.82Å; S356-W581 WeakPolarHBondContact O-CZ2 3.41Å; S356-W581 PolarHBondContact O-NE1 3.34Å
357	K	75.4	Confident	78.9	Confident	122 Å²	122	61.4 Å²	61.4	53%	0.53	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-65.2	153.1	164.8	-62.9	-140.3	173.7	-176.8	0	110.3	N495 I497	K357-N495 PolarHBondContact NZ-O 3.24Å; K357-I497 HydrophobicContact CB-CD1 4.11Å; K357-I497 HydrophobicContact CD-CD1 3.89Å; K357-I497 HydrophobicContact CD-CG1 4.44Å; K357-I497 HydrophobicContact CG-CD1 3.63Å
358	P	77.1	Confident	80.6	Confident	8 Å²	8	58.9 Å²	58.9	5%	0.052	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-60.1	150.3	169.7	26.7	-32.6	0	0	0	110.4	A342 A508 Y510 W581 W583	A342-P358 HydrophobicContact CB-CB 3.89Å; A342-P358 HydrophobicContact CB-CG 3.98Å; P358-A508 HydrophobicContact CG-CB 3.84Å; P358-Y510 HydrophobicContact CG-CE2 4Å; P358-W581 HydrophobicContact CB-CB 4.08Å; P358-W581 HydrophobicContact CB-CD2 3.78Å; P358-W581 HydrophobicContact CB-CE3 4.18Å; P358-W581 HydrophobicContact CB-CG 3.72Å; P358-W581 HydrophobicContact CG-CD2 4.15Å; P358-W581 HydrophobicContact CG-CE3 4.25Å; P358-W583 HydrophobicContact CB-CZ2 4Å
359	Q	77.9	Confident	82	Confident	138 Å²	138	53.6 Å²	53.6	65%	0.645	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-82	133.5	169	-66	-175.8	-11	0	0	108.5	W583	Q359-W583 VanDerWaalsContact O-CZ2 3.25Å; Q359-W583 WeakPolarHBondContact O-CZ2 3.45Å
360	K	82.8	Confident	83.4	Confident	90 Å²	90	49.8 Å²	49.8	39%	0.391	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-46.3	137.7	177.5	65.6	-178.3	176.9	-179.2	0	111.3	Q362 T486 E487 I490 Y510	K360-Q362 PolarHBondContact O-N 2.84Å; K360-T486 HydrophobicContact CD-CG2 4.4Å; K360-E487 WeakPolarHBondContact CE-OE1 3.46Å; K360-E487 IonicContact NZ-OE1 3.46Å; K360-E487 PolarHBondContact NZ-OE1 2.8Å; K360-E487 IonicContact NZ-OE2 2.7Å; K360-E487 PolarHBondContact NZ-OE2 3.36Å; K360-I490 HydrophobicContact CD-CD1 4.08Å; K360-Y510 HydrophobicContact CB-CE1 4.09Å
361	P	84.5	Confident	84.9	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.032	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-71.7	124.3	-172.8	29	-29.8	0	0	0	108.9	L340 T486 G566 W583	L340-P361 HydrophobicContact CD1-CB 4.2Å; L340-P361 HydrophobicContact CD1-CG 3.66Å; P361-T486 WeakPolarHBondContact O-CG2 3.42Å; P361-G566 WeakPolarHBondContact CA-O 3.44Å; P361-W583 HydrophobicContact CB-CD2 4.15Å; P361-W583 HydrophobicContact CB-CE3 4.32Å; P361-W583 HydrophobicContact CB-CH2 4.3Å; P361-W583 HydrophobicContact CB-CZ2 4.18Å; P361-W583 HydrophobicContact CB-CZ3 4.39Å; P361-W583 HydrophobicContact CG-CE3 4.31Å; P361-W583 HydrophobicContact CG-CH2 3.85Å; P361-W583 HydrophobicContact CG-CZ2 4.18Å; P361-W583 HydrophobicContact CG-CZ3 3.94Å
362	Q	90.6	Very high	86.6	Confident	78 Å²	78	42.8 Å²	42.8	36%	0.364	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-68.3	141	175.9	-66.5	-169	-29.6	0	0	110.4	K360 T541 G566	K360-Q362 PolarHBondContact O-N 2.84Å; Q362-T541 VanDerWaalsContact O-CA 3.28Å; Q362-T541 WeakPolarHBondContact O-CA 3.34Å; Q362-T541 WeakPolarHBondContact O-CG2 3.35Å; Q362-G566 PolarHBondContact N-O 3.02Å
363	I	94.3	Very high	87.9	Confident	4 Å²	4	42 Å²	42	2%	0.021	20%	0.204	C	C	.	.			trans	-125.6	85.2	175.4	-46.3	-179	0	0	0	108.4	F365 C485 T486 L489 I512 P515 F539	I363-F365 HydrophobicContact CG2-CD1 4.32Å; I363-F365 HydrophobicContact CG2-CE1 3.9Å; I363-C485 PolarHBondContact O-N 3.03Å; I363-T486 PolarHBondContact N-OG1 3.45Å; I363-L489 HydrophobicContact CB-CD1 4.15Å; I363-L489 HydrophobicContact CD1-CB 4.13Å; I363-L489 HydrophobicContact CD1-CD1 3.86Å; I363-L489 HydrophobicContact CG2-CD1 3.79Å; I363-I512 HydrophobicContact CD1-CB 4.43Å; I363-I512 HydrophobicContact CD1-CD1 3.6Å; I363-I512 HydrophobicContact CD1-CG2 4.22Å; I363-P515 HydrophobicContact CD1-CG 4.29Å; I363-P515 HydrophobicContact CG2-CB 4.18Å; I363-P515 HydrophobicContact CG2-CG 3.97Å; I363-F539 HydrophobicContact CG2-CB 4.49Å
364	I	96.5	Very high	89.2	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	125.4	179.4	-55.9	174.9	0	0	0	108.4	Y482 F539 G540 K543 A546 L673	I364-Y482 HydrophobicContact CG2-CD1 3.83Å; I364-Y482 HydrophobicContact CG2-CG 4.44Å; I364-F539 CarbonylContact O-C 3.54Å; I364-F539 WeakPolarHBondContact O-CA 3.24Å; I364-G540 PolarHBondContact N-O 2.71Å; I364-G540 PolarHBondContact O-N 3.07Å; I364-K543 HydrophobicContact CD1-CG 3.98Å; I364-K543 HydrophobicContact CG2-CG 4.35Å; I364-A546 HydrophobicContact CB-CB 4.42Å; I364-A546 HydrophobicContact CG2-CB 4.34Å; I364-A546 VanDerWaalsContact O-CB 3.26Å; I364-A546 WeakPolarHBondContact O-CB 3.25Å; I364-L673 HydrophobicContact CD1-CD1 4.16Å; I364-L673 HydrophobicContact CD1-CG 4.28Å; I364-L673 HydrophobicContact CG1-CD1 4.25Å; I364-L673 HydrophobicContact CG2-CD2 4.35Å
365	F	98.1	Very high	90.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.5	171.8	-74.3	42.1	0	0	0	107.6	I363 I367 Y482 A483 C485 L489 P515 L518 I522 I537 F539	I363-F365 HydrophobicContact CG2-CD1 4.32Å; I363-F365 HydrophobicContact CG2-CE1 3.9Å; F365-I367 HydrophobicContact CB-CG1 4.39Å; F365-Y482 CarbonylContact O-C 3.46Å; F365-Y482 WeakPolarHBondContact O-CA 3.31Å; F365-A483 HydrophobicContact CB-CB 4.35Å; F365-A483 PolarHBondContact N-O 2.93Å; F365-A483 PolarHBondContact O-N 3.07Å; F365-C485 HydrophobicContact CD1-CB 3.72Å; F365-C485 HydrophobicContact CE1-CB 3.54Å; F365-C485 HydrophobicContact CG-CB 4.38Å; F365-C485 HydrophobicContact CZ-CB 4.03Å; F365-L489 HydrophobicContact CE1-CD1 3.67Å; F365-L489 HydrophobicContact CZ-CD1 3.94Å; F365-P515 HydrophobicContact CZ-CB 4.47Å; F365-L518 HydrophobicContact CE2-CB 4.31Å; F365-L518 HydrophobicContact CE2-CD2 3.97Å; F365-L518 HydrophobicContact CE2-CG 3.93Å; F365-L518 HydrophobicContact CZ-CB 4.17Å; F365-L518 HydrophobicContact CZ-CD2 3.75Å; F365-L518 HydrophobicContact CZ-CG 4.05Å; F365-I522 HydrophobicContact CD2-CD1 4.41Å; F365-I522 HydrophobicContact CE2-CD1 4.21Å; F365-I537 HydrophobicContact CB-CG2 4.33Å; F365-I537 HydrophobicContact CD2-CG2 4Å; F365-I537 HydrophobicContact CG-CG2 4.42Å; F365-F539 AromaticContact CD1-CD1 3.76Å; F365-F539 HydrophobicContact CD1-CD1 3.76Å; F365-F539 HydrophobicContact CD1-CE1 4.48Å; F365-F539 AromaticContact CD2-CD1 3.8Å; F365-F539 HydrophobicContact CD2-CD1 3.8Å; F365-F539 AromaticContact CD2-CE1 3.72Å; F365-F539 HydrophobicContact CD2-CE1 3.72Å; F365-F539 AromaticContact CE1-CD1 3.65Å; F365-F539 HydrophobicContact CE1-CD1 3.65Å; F365-F539 HydrophobicContact CE1-CE1 4.26Å; F365-F539 AromaticContact CE2-CD1 3.71Å; F365-F539 HydrophobicContact CE2-CD1 3.71Å; F365-F539 AromaticContact CE2-CE1 3.48Å; F365-F539 HydrophobicContact CE2-CE1 3.48Å; F365-F539 VanDerWaalsContact CE2-CE1 3.48Å; F365-F539 AromaticContact CG-CD1 3.81Å; F365-F539 HydrophobicContact CG-CD1 3.81Å; F365-F539 HydrophobicContact CG-CE1 4.21Å; F365-F539 AromaticContact CZ-CD1 3.61Å; F365-F539 HydrophobicContact CZ-CD1 3.61Å; F365-F539 AromaticContact CZ-CE1 3.75Å; F365-F539 HydrophobicContact CZ-CE1 3.75Å
366	H	98.6	Very high	91.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	114.5	166.5	175.8	-89.2	0	0	0	107.7	D368 E480 L481 Y482 I537 G538 A546 R547 T550	H366-D368 IonicContact CE1-OD2 2.7Å; H366-E480 WeakPolarHBondContact NE2-CG 3.36Å; H366-E480 IonicContact NE2-OE1 2.71Å; H366-L481 WeakPolarHBondContact CA-O 3.34Å; H366-Y482 HydrophobicContact CB-CD1 3.85Å; H366-Y482 HydrophobicContact CB-CE1 3.92Å; H366-Y482 AromaticContact CD2-CD1 3.72Å; H366-Y482 AromaticContact CD2-CE1 3.33Å; H366-Y482 WeakPolarHBondContact CD2-CE1 3.41Å; H366-Y482 AromaticContact CD2-CZ 3.48Å; H366-Y482 VanDerWaalsContact CD2-CZ 3.48Å; H366-Y482 AromaticContact CG-CE1 3.94Å; H366-I537 WeakPolarHBondContact O-CA 3.44Å; H366-G538 PolarHBondContact N-O 2.77Å; H366-G538 PolarHBondContact O-N 2.68Å; H366-A546 HydrophobicContact CB-CB 3.81Å; H366-R547 PolarHBondContact NE2-NH1 2.76Å; H366-R547 VanDerWaalsContact NE2-NH1 3.19Å; H366-T550 WeakPolarHBondContact CB-OG1 3.32Å; H366-T550 WeakPolarHBondContact ND1-CB 3.2Å; H366-T550 PolarHBondContact ND1-OG1 3.35Å; H366-T550 PolarHBondContact O-OG1 2.61Å; H366-T550 VanDerWaalsContact O-OG1 3.12Å
367	I	98.5	Very high	92.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.9	-172.8	-54.2	-174.1	0	0	0	107.7	F365 L462 I466 E480 L481 I522 A535 I537	F365-I367 HydrophobicContact CB-CG1 4.39Å; I367-L462 HydrophobicContact CG2-CD1 4.45Å; I367-I466 HydrophobicContact CD1-CD1 3.66Å; I367-I466 HydrophobicContact CD1-CG1 4.01Å; I367-I466 HydrophobicContact CD1-CG2 4.2Å; I367-E480 WeakPolarHBondContact O-CA 3.35Å; I367-L481 HydrophobicContact CB-CD1 4.01Å; I367-L481 HydrophobicContact CB-CG 4.24Å; I367-L481 HydrophobicContact CD1-CD1 4.14Å; I367-L481 HydrophobicContact CG1-CD1 4.16Å; I367-L481 PolarHBondContact N-O 3.14Å; I367-L481 PolarHBondContact O-N 3.06Å; I367-I522 HydrophobicContact CD1-CG2 4.11Å; I367-A535 HydrophobicContact CG2-CB 4.39Å; I367-I537 HydrophobicContact CB-CG1 4.43Å; I367-I537 HydrophobicContact CD1-CD1 3.99Å; I367-I537 HydrophobicContact CG1-CD1 3.98Å; I367-I537 HydrophobicContact CG1-CG1 3.99Å; I367-I537 HydrophobicContact CG1-CG2 4.08Å; I367-I537 HydrophobicContact CG2-CD1 4.43Å; I367-I537 HydrophobicContact CG2-CG1 4.2Å
368	D	98.4	Very high	93.5	Very high	36 Å²	36	22 Å²	22	19%	0.193	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	115.3	-171.6	-178.8	-32.9	0	0	0	109.3	H366 D479 E480 S536 T550 K554	H366-D368 IonicContact CE1-OD2 2.7Å; D368-D479 CarbonylContact C-O 3.55Å; D368-D479 WeakPolarHBondContact CA-O 3.33Å; D368-E480 HydrophobicContact CB-CG 4.48Å; D368-S536 PolarHBondContact N-O 3Å; D368-S536 VanDerWaalsContact N-O 3.11Å; D368-S536 PolarHBondContact O-N 3.27Å; D368-T550 HydrophobicContact CB-CG2 3.74Å; D368-K554 VanDerWaalsContact CG-NZ 3.27Å; D368-K554 PolarHBondContact O-NZ 2.93Å; D368-K554 WeakPolarHBondContact OD1-CE 3.29Å; D368-K554 IonicContact OD1-NZ 3.17Å; D368-K554 PolarHBondContact OD1-NZ 3.15Å; D368-K554 WeakPolarHBondContact OD2-CE 3.33Å; D368-K554 IonicContact OD2-NZ 2.66Å
369	M	98.3	Very high	94.2	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.02	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	139.8	-177.4	-61.9	-61.6	-65.1	0	0	111.7	C371 F372 L462 D479 V526 C533 A535 K554	M369-C371 PolarHBondContact O-N 3.42Å; M369-F372 HydrophobicContact CB-CB 4.2Å; M369-F372 HydrophobicContact CB-CD2 3.82Å; M369-F372 HydrophobicContact CB-CG 4.34Å; M369-F372 HydrophobicContact CG-CD2 4.05Å; M369-F372 HydrophobicContact CG-CE2 4.42Å; M369-L462 HydrophobicContact CG-CD2 3.74Å; M369-L462 HydrophobicContact SD-CD1 3.99Å; M369-L462 HydrophobicContact SD-CD2 3.84Å; M369-L462 HydrophobicContact SD-CG 4.46Å; M369-D479 HydrophobicContact CB-CB 4Å; M369-D479 HydrophobicContact CG-CB 4.21Å; M369-D479 PolarHBondContact N-O 3.01Å; M369-V526 HydrophobicContact CE-CG1 3.83Å; M369-V526 HydrophobicContact SD-CG1 3.78Å; M369-C533 HydrophobicContact CE-CB 3.59Å; M369-C533 WeakPolarHBondContact CE-O 3.36Å; M369-A535 HydrophobicContact SD-CB 3.8Å; M369-K554 PolarHBondContact O-NZ 3.22Å
370	D	97.4	Very high	94.8	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.011	13%	0.128	C	C	.	.	S	Bend	trans	-82.7	121.3	-175.1	-88.1	-50.5	0	0	0	113.2	F372 S375 Y422 T534 S536 K554 N556	D370-F372 PolarHBondContact O-N 3.2Å; D370-S375 PolarHBondContact O-OG 2.88Å; D370-Y422 HydrophobicContact CB-CE2 3.92Å; D370-Y422 WeakPolarHBondContact OD1-CE2 3.42Å; D370-Y422 VanDerWaalsContact OD1-CZ 3.31Å; D370-Y422 PolarHBondContact OD1-OH 2.68Å; D370-T534 PolarHBondContact N-O 2.96Å; D370-S536 WeakPolarHBondContact OD2-CB 3.1Å; D370-S536 PolarHBondContact OD2-N 3.32Å; D370-S536 PolarHBondContact OD2-OG 3.41Å; D370-K554 WeakPolarHBondContact OD1-CG 3.26Å; D370-K554 IonicContact OD1-NZ 3.31Å; D370-K554 PolarHBondContact OD1-NZ 2.68Å; D370-K554 IonicContact OD2-NZ 3.38Å; D370-N556 PolarHBondContact OD2-N 2.95Å
371	C	95.5	Very high	95.2	Very high	15 Å²	15	26.1 Å²	26.1	10%	0.101	13%	0.126	C	C	.	.	S	Bend	trans	43.8	16.8	-172	67.1	0	0	0	0	116.8	M369 F373 V374 S375 S419 C420 Y422 R425	M369-C371 PolarHBondContact O-N 3.42Å; C371-F373 PolarHBondContact O-N 3.48Å; C371-V374 HydrophobicContact CB-CB 4.32Å; C371-V374 PolarHBondContact O-N 3.15Å; C371-S375 PolarHBondContact SG-OG 2.92Å; C371-S419 WeakPolarHBondContact O-CB 3.25Å; C371-S419 PolarHBondContact O-OG 3.28Å; C371-C420 WeakPolarHBondContact CB-O 3.48Å; C371-Y422 HydrophobicContact CB-CD2 4.33Å; C371-Y422 HydrophobicContact CB-CE2 4.07Å; C371-R425 VanDerWaalsContact CB-NH2 3.35Å
372	F	97.5	Very high	95.4	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.013	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	12.8	-80.7	-175	-168.5	-131.2	0	0	0	117.3	M369 D370 V374 S375 V376 Y455 V458 C478 D479	M369-F372 HydrophobicContact CB-CB 4.2Å; M369-F372 HydrophobicContact CB-CD2 3.82Å; M369-F372 HydrophobicContact CB-CG 4.34Å; M369-F372 HydrophobicContact CG-CD2 4.05Å; M369-F372 HydrophobicContact CG-CE2 4.42Å; D370-F372 PolarHBondContact O-N 3.2Å; F372-V374 PolarHBondContact O-N 2.83Å; F372-S375 PolarHBondContact O-N 3.12Å; F372-S375 VanDerWaalsContact O-N 3.08Å; F372-V376 HydrophobicContact CD2-CG2 3.85Å; F372-V376 HydrophobicContact CE2-CG2 3.67Å; F372-V376 HydrophobicContact CZ-CG2 4.35Å; F372-V376 WeakPolarHBondContact O-CG2 3.31Å; F372-V376 PolarHBondContact O-N 2.82Å; F372-Y455 WeakPolarHBondContact CZ-O 3.31Å; F372-V458 HydrophobicContact CE2-CB 4.27Å; F372-V458 HydrophobicContact CE2-CG1 3.91Å; F372-C478 HydrophobicContact CE1-CB 4.21Å; F372-D479 HydrophobicContact CB-CB 3.78Å; F372-D479 WeakPolarHBondContact CB-OD2 3.42Å; F372-D479 HydrophobicContact CD1-CB 3.61Å; F372-D479 HydrophobicContact CD2-CB 4.02Å; F372-D479 HydrophobicContact CE1-CB 4.16Å; F372-D479 HydrophobicContact CG-CB 3.55Å
373	F	97.3	Very high	95.5	Very high	7 Å²	7	32.1 Å²	32.1	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-56	-28.8	-176.9	-67.3	0.3	0	0	0	113.4	L292 W295 C371 S377 I391 A418 Y450 Y455	L292-F373 HydrophobicContact CD2-CE1 4.38Å; L292-F373 HydrophobicContact CD2-CZ 3.99Å; L292-F373 HydrophobicContact CG-CZ 4.35Å; W295-F373 HydrophobicContact CZ3-CE1 4.09Å; W295-F373 HydrophobicContact CZ3-CZ 4.2Å; C371-F373 PolarHBondContact O-N 3.48Å; F373-S377 VanDerWaalsContact O-CB 3.3Å; F373-S377 WeakPolarHBondContact O-CB 3.34Å; F373-S377 PolarHBondContact O-N 2.99Å; F373-S377 PolarHBondContact O-OG 3.44Å; F373-S377 VanDerWaalsContact O-OG 3.09Å; F373-I391 HydrophobicContact CB-CB 4.43Å; F373-I391 HydrophobicContact CB-CG1 3.88Å; F373-I391 HydrophobicContact CB-CG2 4.47Å; F373-I391 HydrophobicContact CD2-CG2 4.48Å; F373-A418 HydrophobicContact CD2-CB 4.17Å; F373-A418 HydrophobicContact CE2-CB 4.46Å; F373-Y450 HydrophobicContact CD2-CD1 4.13Å; F373-Y450 HydrophobicContact CD2-CE1 4.22Å; F373-Y450 HydrophobicContact CE2-CD1 4.12Å; F373-Y450 HydrophobicContact CE2-CE1 4.13Å; F373-Y455 HydrophobicContact CB-CD1 4.46Å; F373-Y455 HydrophobicContact CB-CE1 3.9Å; F373-Y455 HydrophobicContact CB-CE2 3.93Å; F373-Y455 AromaticContact CD1-CD1 3.98Å; F373-Y455 HydrophobicContact CD1-CD1 3.98Å; F373-Y455 AromaticContact CD1-CD2 3.49Å; F373-Y455 HydrophobicContact CD1-CD2 3.49Å; F373-Y455 VanDerWaalsContact CD1-CD2 3.49Å; F373-Y455 HydrophobicContact CD1-CE1 4.24Å; F373-Y455 AromaticContact CD1-CE2 3.77Å; F373-Y455 HydrophobicContact CD1-CE2 3.77Å; F373-Y455 AromaticContact CD1-CG 3.64Å; F373-Y455 HydrophobicContact CD1-CG 3.64Å; F373-Y455 HydrophobicContact CD2-CD2 4.17Å; F373-Y455 AromaticContact CD2-CE2 3.78Å; F373-Y455 HydrophobicContact CD2-CE2 3.78Å; F373-Y455 AromaticContact CE1-CD2 3.61Å; F373-Y455 HydrophobicContact CE1-CD2 3.61Å; F373-Y455 HydrophobicContact CE1-CE2 4.2Å; F373-Y455 AromaticContact CE1-CG 3.92Å; F373-Y455 HydrophobicContact CE1-CG 3.92Å; F373-Y455 HydrophobicContact CE2-CD2 4.25Å; F373-Y455 HydrophobicContact CE2-CE2 4.19Å; F373-Y455 HydrophobicContact CG-CD1 4.42Å; F373-Y455 AromaticContact CG-CD2 3.81Å; F373-Y455 HydrophobicContact CG-CD2 3.81Å; F373-Y455 HydrophobicContact CG-CE1 4.22Å; F373-Y455 AromaticContact CG-CE2 3.56Å; F373-Y455 HydrophobicContact CG-CE2 3.56Å; F373-Y455 HydrophobicContact CG-CG 4.27Å; F373-Y455 AromaticContact CG-CZ 3.8Å; F373-Y455 AromaticContact CZ-CD2 3.99Å; F373-Y455 HydrophobicContact CZ-CD2 3.99Å; F373-Y455 HydrophobicContact CZ-CE2 4.4Å; F373-Y455 WeakPolarHBondContact O-CE1 3.44Å; F373-Y455 PolarHBondContact O-OH 3.36Å
374	V	97.1	Very high	95.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-70.6	-57.3	173.4	171.5	0	0	0	0	110.1	C371 F372 V376 S377 L378 I389 I391	C371-V374 HydrophobicContact CB-CB 4.32Å; C371-V374 PolarHBondContact O-N 3.15Å; F372-V374 PolarHBondContact O-N 2.83Å; V374-V376 VanDerWaalsContact C-N 3.34Å; V374-V376 PolarHBondContact O-N 3.32Å; V374-S377 CarbonylContact O-C 3.23Å; V374-S377 WeakPolarHBondContact O-CA 3.48Å; V374-S377 PolarHBondContact O-N 3.03Å; V374-L378 HydrophobicContact CG1-CD1 3.69Å; V374-L378 HydrophobicContact CG1-CG 4.13Å; V374-L378 WeakPolarHBondContact O-CG 3.4Å; V374-L378 PolarHBondContact O-N 3.39Å; V374-I389 HydrophobicContact CG1-CB 3.95Å; V374-I389 HydrophobicContact CG1-CG1 4.45Å; V374-I389 HydrophobicContact CG1-CG2 4.1Å; V374-I389 HydrophobicContact CG2-CG2 4.34Å; V374-I391 HydrophobicContact CG2-CD1 4.15Å; V374-I391 HydrophobicContact CG2-CG1 3.78Å
375	S	96.6	Very high	95.1	Very high	17 Å²	17	39.3 Å²	39.3	12%	0.119	20%	0.196	C	C	.	.	H	α-helix	trans	-55.5	-45.3	-178	-53.4	0	0	0	0	112.5	D370 C371 F372 S377 L378 R379	D370-S375 PolarHBondContact O-OG 2.88Å; C371-S375 PolarHBondContact SG-OG 2.92Å; F372-S375 PolarHBondContact O-N 3.12Å; F372-S375 VanDerWaalsContact O-N 3.08Å; S375-S377 VanDerWaalsContact C-N 3.31Å; S375-S377 PolarHBondContact O-N 3.35Å; S375-L378 PolarHBondContact O-N 3.22Å; S375-R379 PolarHBondContact O-N 3.49Å
376	V	96.9	Very high	94.7	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-36.3	176	-179.4	0	0	0	0	112	F372 V374 L378 R379 A454 Y455 V458	F372-V376 HydrophobicContact CD2-CG2 3.85Å; F372-V376 HydrophobicContact CE2-CG2 3.67Å; F372-V376 HydrophobicContact CZ-CG2 4.35Å; F372-V376 WeakPolarHBondContact O-CG2 3.31Å; F372-V376 PolarHBondContact O-N 2.82Å; V374-V376 VanDerWaalsContact C-N 3.34Å; V374-V376 PolarHBondContact O-N 3.32Å; V376-L378 VanDerWaalsContact C-N 3.3Å; V376-R379 WeakPolarHBondContact O-CD 3.13Å; V376-R379 WeakPolarHBondContact O-CG 3.39Å; V376-A454 HydrophobicContact CG1-CB 3.86Å; V376-Y455 HydrophobicContact CB-CD1 3.72Å; V376-Y455 HydrophobicContact CB-CE1 3.92Å; V376-Y455 HydrophobicContact CG1-CD1 3.68Å; V376-Y455 HydrophobicContact CG1-CE1 4.08Å; V376-Y455 HydrophobicContact CG2-CD1 4.32Å; V376-V458 HydrophobicContact CG1-CG2 3.87Å; V376-V458 HydrophobicContact CG2-CB 4.03Å; V376-V458 HydrophobicContact CG2-CG1 3.96Å; V376-V458 HydrophobicContact CG2-CG2 3.99Å
377	S	95	Very high	94.5	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.028	25%	0.25	C	C	.	.	H	α-helix	trans	-79	-8.3	174.8	-66.6	0	0	0	0	114.3	F373 V374 S375 R381 Y455	F373-S377 VanDerWaalsContact O-CB 3.3Å; F373-S377 WeakPolarHBondContact O-CB 3.34Å; F373-S377 PolarHBondContact O-N 2.99Å; F373-S377 PolarHBondContact O-OG 3.44Å; F373-S377 VanDerWaalsContact O-OG 3.09Å; V374-S377 CarbonylContact O-C 3.23Å; V374-S377 WeakPolarHBondContact O-CA 3.48Å; V374-S377 PolarHBondContact O-N 3.03Å; S375-S377 VanDerWaalsContact C-N 3.31Å; S375-S377 PolarHBondContact O-N 3.35Å; S377-R381 PolarHBondContact O-NH1 3.22Å; S377-Y455 WeakPolarHBondContact OG-CE1 3.19Å; S377-Y455 PolarHBondContact OG-OH 2.72Å
378	L	94.6	Very high	94.4	Very high	37 Å²	37	51.7 Å²	51.7	19%	0.194	26%	0.259	C	S	.	.	H	α-helix	trans	-95.5	-19.4	175.3	-75.1	-177.9	0	0	0	114.1	V374 S375 V376 N380 R381 L384 I389	V374-L378 HydrophobicContact CG1-CD1 3.69Å; V374-L378 HydrophobicContact CG1-CG 4.13Å; V374-L378 WeakPolarHBondContact O-CG 3.4Å; V374-L378 PolarHBondContact O-N 3.39Å; S375-L378 PolarHBondContact O-N 3.22Å; V376-L378 VanDerWaalsContact C-N 3.3Å; L378-N380 PolarHBondContact O-N 2.97Å; L378-R381 HydrophobicContact CD2-CB 4.4Å; L378-R381 CarbonylContact O-C 3.6Å; L378-R381 WeakPolarHBondContact O-CA 3.05Å; L378-R381 PolarHBondContact O-N 2.89Å; L378-L384 HydrophobicContact CD2-CB 3.39Å; L378-L384 HydrophobicContact CD2-CD1 4.42Å; L378-I389 HydrophobicContact CD1-CG1 4.41Å; L378-I389 HydrophobicContact CD2-CG1 4.23Å
379	R	92.6	Very high	94.3	Very high	99 Å²	99	50 Å²	50	37%	0.374	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-41.1	178.4	-62.8	175.4	63.6	-179.8	7.9	114.7	S375 V376 T530	S375-R379 PolarHBondContact O-N 3.49Å; V376-R379 WeakPolarHBondContact O-CD 3.13Å; V376-R379 WeakPolarHBondContact O-CG 3.39Å; R379-T530 WeakPolarHBondContact CD-O 3.41Å; R379-T530 PolarHBondContact NE-O 3.38Å; R379-T530 PolarHBondContact NH2-O 2.96Å
380	N	88.9	Confident	94.2	Very high	136 Å²	136	49.8 Å²	49.8	73%	0.727	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	22.2	-177.4	-57.3	-0	0	0	0	111.9	L378	L378-N380 PolarHBondContact O-N 2.97Å
381	R	92.5	Very high	94.2	Very high	88 Å²	88	49.7 Å²	49.7	33%	0.332	25%	0.248	S	C	.	.			trans	-146.4	59.8	-174.8	-61.9	-174.4	-176.1	81.6	12.2	112.5	S377 L378 E383 L384	S377-R381 PolarHBondContact O-NH1 3.22Å; L378-R381 HydrophobicContact CD2-CB 4.4Å; L378-R381 CarbonylContact O-C 3.6Å; L378-R381 WeakPolarHBondContact O-CA 3.05Å; L378-R381 PolarHBondContact O-N 2.89Å; R381-E383 WeakPolarHBondContact CA-OE2 3.41Å; R381-E383 PolarHBondContact O-N 3.14Å; R381-L384 HydrophobicContact CB-CB 4.36Å; R381-L384 HydrophobicContact CB-CD1 4.19Å; R381-L384 HydrophobicContact CB-CG 4.37Å; R381-L384 PolarHBondContact O-N 2.88Å
382	P	88.8	Confident	94.1	Very high	99 Å²	99	49 Å²	49	64%	0.643	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-60.9	-23.2	178.5	27.9	-35.6	0	0	0	112.5	L384 E385	P382-L384 PolarHBondContact O-N 2.59Å; P382-E385 WeakPolarHBondContact O-CB 3.47Å; P382-E385 PolarHBondContact O-N 2.81Å; P382-E385 VanDerWaalsContact O-N 3.16Å
383	E	93.3	Very high	93.8	Very high	109 Å²	109	53.8 Å²	53.8	51%	0.509	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-65.9	-6.4	173.9	83.3	-66.1	166.7	0	0	114	R381 K387	R381-E383 WeakPolarHBondContact CA-OE2 3.41Å; R381-E383 PolarHBondContact O-N 3.14Å; E383-K387 WeakPolarHBondContact O-CE 3.43Å; E383-K387 PolarHBondContact O-NZ 3.03Å
384	L	93.2	Very high	93	Very high	20 Å²	20	54.5 Å²	54.5	11%	0.105	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-113.4	6.6	177.8	-64.8	-175.7	0	0	0	113.9	L378 R381 P382 K387 I389 I446 L448	L378-L384 HydrophobicContact CD2-CB 3.39Å; L378-L384 HydrophobicContact CD2-CD1 4.42Å; R381-L384 HydrophobicContact CB-CB 4.36Å; R381-L384 HydrophobicContact CB-CD1 4.19Å; R381-L384 HydrophobicContact CB-CG 4.37Å; R381-L384 PolarHBondContact O-N 2.88Å; P382-L384 PolarHBondContact O-N 2.59Å; L384-K387 HydrophobicContact CD2-CD 4.25Å; L384-K387 PolarHBondContact O-N 3.08Å; L384-I389 HydrophobicContact CB-CD1 4.09Å; L384-I389 HydrophobicContact CD2-CD1 4.45Å; L384-I446 HydrophobicContact CD2-CD1 3.8Å; L384-I446 HydrophobicContact CD2-CG2 4.49Å; L384-L448 HydrophobicContact CD1-CD1 4.1Å; L384-L448 HydrophobicContact CD1-CD2 3.99Å
385	E	87.4	Confident	91.7	Very high	139 Å²	139	63.6 Å²	63.6	65%	0.65	31%	0.312	S	S	*	.	S	Bend	trans	-61.4	149.3	169.9	-167.5	152.7	-140.9	0	0	111.3	P382 K387	P382-E385 WeakPolarHBondContact O-CB 3.47Å; P382-E385 PolarHBondContact O-N 2.81Å; P382-E385 VanDerWaalsContact O-N 3.16Å; E385-K387 PolarHBondContact O-N 2.89Å
386	D	89.3	Confident	89.8	Confident	134 Å²	134	65.1 Å²	65.1	72%	0.717	32%	0.323	S	S	*	.	S	Bend	trans	51.7	-12.5	-168.8	-72.3	-39.2	0	0	0	118.3	T423	D386-T423 WeakPolarHBondContact O-CB 3.07Å; D386-T423 WeakPolarHBondContact O-CG2 3.28Å; D386-T423 PolarHBondContact O-OG1 3.34Å
387	K	95.2	Very high	87.4	Confident	99 Å²	99	68 Å²	68	43%	0.43	34%	0.343	S	S	.	.	S	Bend	trans	-70.6	151.2	-179.1	-68.4	175.2	-168.4	167.6	0	111.6	E383 L384 E385 I389 T423 I446	E383-K387 WeakPolarHBondContact O-CE 3.43Å; E383-K387 PolarHBondContact O-NZ 3.03Å; L384-K387 HydrophobicContact CD2-CD 4.25Å; L384-K387 PolarHBondContact O-N 3.08Å; E385-K387 PolarHBondContact O-N 2.89Å; K387-I389 HydrophobicContact CB-CD1 3.97Å; K387-I389 WeakPolarHBondContact O-CG1 3.31Å; K387-I389 PolarHBondContact O-N 2.87Å; K387-T423 PolarHBondContact O-OG1 3.11Å; K387-I446 HydrophobicContact CB-CD1 3.92Å; K387-I446 HydrophobicContact CD-CD1 4.04Å; K387-I446 HydrophobicContact CG-CD1 4.49Å
388	P	96.8	Very high	84.6	Confident	29 Å²	29	79.3 Å²	79.3	19%	0.188	39%	0.385	C	S	.	.			trans	-70.9	91.7	179.7	28.6	-34.9	0	0	0	110.7	A424 C442 D444 L445 I446	P388-A424 HydrophobicContact CB-CB 3.98Å; P388-C442 VanDerWaalsContact CB-SG 3.56Å; P388-D444 HydrophobicContact CG-CB 4.41Å; P388-L445 HydrophobicContact CB-CD1 4.23Å; P388-L445 CarbonylContact O-C 3.2Å; P388-L445 WeakPolarHBondContact O-CA 3.5Å; P388-L445 WeakPolarHBondContact O-CD1 3.24Å; P388-I446 PolarHBondContact O-N 3.29Å
389	I	96.6	Very high	81.6	Confident	0 Å²	0	80 Å²	80	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	142.3	178.4	-47	-48.5	0	0	0	112.4	V374 L378 L384 K387 I391 C420 S421 I446 L448	V374-I389 HydrophobicContact CG1-CB 3.95Å; V374-I389 HydrophobicContact CG1-CG1 4.45Å; V374-I389 HydrophobicContact CG1-CG2 4.1Å; V374-I389 HydrophobicContact CG2-CG2 4.34Å; L378-I389 HydrophobicContact CD1-CG1 4.41Å; L378-I389 HydrophobicContact CD2-CG1 4.23Å; L384-I389 HydrophobicContact CB-CD1 4.09Å; L384-I389 HydrophobicContact CD2-CD1 4.45Å; K387-I389 HydrophobicContact CB-CD1 3.97Å; K387-I389 WeakPolarHBondContact O-CG1 3.31Å; K387-I389 PolarHBondContact O-N 2.87Å; I389-I391 HydrophobicContact CG2-CD1 4.38Å; I389-C420 VanDerWaalsContact O-CA 3.31Å; I389-C420 WeakPolarHBondContact O-CA 3.36Å; I389-S421 PolarHBondContact N-OG 2.89Å; I389-S421 PolarHBondContact O-N 3.4Å; I389-S421 PolarHBondContact O-OG 2.85Å; I389-I446 CarbonylContact C-O 3.41Å; I389-I446 WeakPolarHBondContact CA-O 3.17Å; I389-I446 HydrophobicContact CD1-CB 3.77Å; I389-I446 HydrophobicContact CD1-CD1 4.07Å; I389-I446 HydrophobicContact CD1-CG1 4.36Å; I389-I446 HydrophobicContact CD1-CG2 4.08Å; I389-L448 HydrophobicContact CG2-CD1 3.68Å; I389-L448 HydrophobicContact CG2-CG 3.95Å
390	A	96.6	Very high	78.6	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.8	164.5	0	0	0	0	0	112.7	V417 S419 L445 I446 V447 L448	A390-V417 HydrophobicContact CB-CG1 3.93Å; A390-V417 HydrophobicContact CB-CG2 4.29Å; A390-S419 WeakPolarHBondContact CA-O 3.41Å; A390-L445 HydrophobicContact CB-CD1 3.94Å; A390-L445 HydrophobicContact CB-CD2 3.96Å; A390-L445 HydrophobicContact CB-CG 3.99Å; A390-I446 PolarHBondContact N-O 2.76Å; A390-V447 WeakPolarHBondContact O-CA 3.18Å; A390-L448 PolarHBondContact O-N 3.26Å
391	I	96.5	Very high	76.3	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	125.6	173	-52.2	-51	0	0	0	110	F373 V374 I389 A418 S419 L448 Y450	F373-I391 HydrophobicContact CB-CB 4.43Å; F373-I391 HydrophobicContact CB-CG1 3.88Å; F373-I391 HydrophobicContact CB-CG2 4.47Å; F373-I391 HydrophobicContact CD2-CG2 4.48Å; V374-I391 HydrophobicContact CG2-CD1 4.15Å; V374-I391 HydrophobicContact CG2-CG1 3.78Å; I389-I391 HydrophobicContact CG2-CD1 4.38Å; I391-A418 HydrophobicContact CB-CB 4.36Å; I391-A418 HydrophobicContact CG2-CB 4.44Å; I391-A418 WeakPolarHBondContact O-CB 3.17Å; I391-A418 PolarHBondContact O-N 3.18Å; I391-S419 PolarHBondContact N-O 2.82Å; I391-L448 WeakPolarHBondContact CA-O 3.48Å; I391-L448 HydrophobicContact CD1-CB 3.75Å; I391-L448 HydrophobicContact CD1-CD1 4.39Å; I391-Y450 HydrophobicContact CG2-CD1 3.72Å; I391-Y450 HydrophobicContact CG2-CD2 4.35Å; I391-Y450 HydrophobicContact CG2-CE1 3.94Å; I391-Y450 HydrophobicContact CG2-CG 3.95Å
392	T	93.8	Very high	73.6	Confident	2 Å²	2	82.5 Å²	82.5	1%	0.012	44%	0.441	C	S	.	.			trans	-162.1	173	176.8	-168	0	0	0	0	113.6	A394 S415 E416 L435 V447 L448 Y450	T392-A394 HydrophobicContact CG2-CB 4.19Å; T392-S415 PolarHBondContact OG1-OG 2.79Å; T392-E416 VanDerWaalsContact CB-O 3.24Å; T392-E416 WeakPolarHBondContact CB-O 3.39Å; T392-E416 PolarHBondContact OG1-O 3.05Å; T392-L435 HydrophobicContact CG2-CD2 4.11Å; T392-V447 HydrophobicContact CG2-CB 4.32Å; T392-V447 HydrophobicContact CG2-CG1 3.45Å; T392-V447 VanDerWaalsContact CG2-CG1 3.45Å; T392-V447 HydrophobicContact CG2-CG2 3.89Å; T392-L448 PolarHBondContact N-O 2.9Å; T392-Y450 VanDerWaalsContact C-CE2 3.46Å
393	H	90.3	Very high	71.2	Confident	103 Å²	103	80.6 Å²	80.6	48%	0.477	43%	0.425	S	S	.	.	S	Bend	trans	-84.3	-13.4	-179.5	-69.8	-60.1	0	0	0	114.1	R286 K395 Y450	R286-H393 PolarHBondContact O-CE1 3.2Å; R286-H393 PolarHBondContact O-NE2 3.38Å; H393-K395 PolarHBondContact O-N 3.33Å; H393-Y450 HydrophobicContact CB-CE2 4.4Å; H393-Y450 AromaticContact CD2-CE2 3.65Å; H393-Y450 AromaticContact CE1-CD2 3.52Å; H393-Y450 AromaticContact CE1-CE2 3.21Å; H393-Y450 WeakPolarHBondContact CE1-CE2 3.48Å; H393-Y450 AromaticContact CE1-CZ 3.93Å; H393-Y450 AromaticContact CG-CE2 3.55Å; H393-Y450 AromaticContact ND1-CD2 3.56Å; H393-Y450 AromaticContact ND1-CE2 3.28Å; H393-Y450 VanDerWaalsContact ND1-CE2 3.28Å; H393-Y450 WeakPolarHBondContact ND1-CE2 3.19Å; H393-Y450 AromaticContact NE2-CE2 3.44Å; H393-Y450 WeakPolarHBondContact NE2-CE2 3.43Å; H393-Y450 AromaticContact NE2-CZ 3.77Å
394	A	82	Confident	68.9	Low	21 Å²	21	82.4 Å²	82.4	17%	0.174	44%	0.437	C	S	.	.	S	Bend	trans	-67.5	126.9	175.6	0	0	0	0	0	109.4	T392 S396 L435 V447	T392-A394 HydrophobicContact CG2-CB 4.19Å; A394-S396 PolarHBondContact O-N 3.29Å; A394-L435 HydrophobicContact CB-CD2 3.51Å; A394-V447 WeakPolarHBondContact O-CG1 3.49Å
395	K	69.2	Low	66.4	Low	193 Å²	193	91.3 Å²	91.3	84%	0.839	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-67	125.7	170.5	-64	-173.7	178.3	-174.6	0	108.6	H393 H410	H393-K395 PolarHBondContact O-N 3.33Å; K395-H410 PolarHBondContact O-CE1 2.6Å
396	S	56.6	Low	64.4	Low	49 Å²	49	85.4 Å²	85.4	34%	0.343	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-60.1	132.8	159.8	-61.8	0	0	0	0	109	A394 R398 V447	A394-S396 PolarHBondContact O-N 3.29Å; S396-R398 VanDerWaalsContact C-N 3.27Å; S396-R398 PolarHBondContact O-N 2.9Å; S396-V447 VanDerWaalsContact OG-CB 3.28Å; S396-V447 WeakPolarHBondContact OG-CB 3.39Å; S396-V447 PolarHBondContact OG-O 3.42Å
397	S	45.3	Very low	62.2	Low	66 Å²	66	82.8 Å²	82.8	46%	0.462	44%	0.435	S	S	.	.			trans	-65.8	79.6	176.3	-70.2	0	0	0	0	112.4	G399 S406	S397-G399 VanDerWaalsContact C-N 3.29Å; S397-G399 PolarHBondContact O-N 2.97Å; S397-G399 VanDerWaalsContact O-N 3.09Å; S397-S406 WeakPolarHBondContact CB-OG 3.34Å; S397-S406 PolarHBondContact OG-OG 3.17Å
398	R	37	Very low	60	Low	243 Å²	243	83.7 Å²	83.7	92%	0.917	45%	0.445	S	S	*	.			trans	-75.8	83.3	161.1	-72.7	-174.4	174.5	-173.8	-3.7	108.6	S396	S396-R398 VanDerWaalsContact C-N 3.27Å; S396-R398 PolarHBondContact O-N 2.9Å
399	G	32.3	Very low	58	Low	51 Å²	51	88.8 Å²	88.8	53%	0.526	46%	0.464	S	S	.	.	S	Bend	trans	177.3	113.2	177.8	0	0	0	0	0	113.3	S397	S397-G399 VanDerWaalsContact C-N 3.29Å; S397-G399 PolarHBondContact O-N 2.97Å; S397-G399 VanDerWaalsContact O-N 3.09Å
400	S	28.9	Very low	56.2	Low	92 Å²	92	90 Å²	90	64%	0.643	47%	0.47	S	S	*	.			trans	59.4	122.2	-179.9	-163.7	0	0	0	0	117	N402	S400-N402 PolarHBondContact O-N 2.98Å; S400-N402 PolarHBondContact OG-N 2.92Å
401	V	40.6	Very low	54.5	Low	146 Å²	146	91.9 Å²	91.9	89%	0.885	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.7	171.4	176.7	0	0	0	0	111.7
402	N	35.8	Very low	53.4	Low	138 Å²	138	100 Å²	100	74%	0.738	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-5	-170.7	-63.5	0.1	0	0	0	114.5	S400 I404	S400-N402 PolarHBondContact O-N 2.98Å; S400-N402 PolarHBondContact OG-N 2.92Å; N402-I404 PolarHBondContact O-N 3.33Å; N402-I404 VanDerWaalsContact O-N 3.07Å
403	D	39.3	Very low	52.9	Low	59 Å²	59	101 Å²	101	32%	0.316	53%	0.53	S	S	.	.			trans	-83.1	82.1	177.1	-173.9	16.4	0	0	0	111.7	R405 S406 K409	D403-R405 PolarHBondContact O-N 2.88Å; D403-R405 VanDerWaalsContact O-N 3.07Å; D403-R405 WeakPolarHBondContact OD1-CA 3.43Å; D403-R405 VanDerWaalsContact OD1-CB 3.24Å; D403-R405 WeakPolarHBondContact OD1-CB 3.29Å; D403-R405 PolarHBondContact OD1-N 3.21Å; D403-S406 WeakPolarHBondContact O-CB 3.34Å; D403-S406 PolarHBondContact O-N 3.23Å; D403-S406 WeakPolarHBondContact OD2-CB 3.42Å; D403-K409 IonicContact OD2-NZ 2.72Å; D403-K409 PolarHBondContact OD2-NZ 3.42Å
404	I	43.6	Very low	52.9	Low	146 Å²	146	99.5 Å²	99.5	75%	0.749	52%	0.524	S	S	*	.	H	α-helix	trans	-56.9	-20.9	173.2	-62.5	175.4	0	0	0	111.7	N402 S406 S407	N402-I404 PolarHBondContact O-N 3.33Å; N402-I404 VanDerWaalsContact O-N 3.07Å; I404-S406 VanDerWaalsContact C-N 3.28Å; I404-S406 PolarHBondContact O-N 3.41Å; I404-S407 PolarHBondContact O-OG 3.06Å; I404-S407 VanDerWaalsContact O-OG 3.12Å
405	R	42.2	Very low	53.4	Low	207 Å²	207	99.4 Å²	99.4	78%	0.781	52%	0.522	S	S	*	.	H	α-helix	trans	-80	-7.4	175	-52.5	175	171.2	175.5	-3.3	112.8	D403	D403-R405 PolarHBondContact O-N 2.88Å; D403-R405 VanDerWaalsContact O-N 3.07Å; D403-R405 WeakPolarHBondContact OD1-CA 3.43Å; D403-R405 VanDerWaalsContact OD1-CB 3.24Å; D403-R405 WeakPolarHBondContact OD1-CB 3.29Å; D403-R405 PolarHBondContact OD1-N 3.21Å
406	S	43.8	Very low	54.6	Low	15 Å²	15	93.1 Å²	93.1	11%	0.105	50%	0.496	C	S	.	.	H	α-helix	trans	-80.9	-33	-178.1	-156.5	0	0	0	0	113.5	S397 D403 I404 N408 K409	S397-S406 WeakPolarHBondContact CB-OG 3.34Å; S397-S406 PolarHBondContact OG-OG 3.17Å; D403-S406 WeakPolarHBondContact O-CB 3.34Å; D403-S406 PolarHBondContact O-N 3.23Å; D403-S406 WeakPolarHBondContact OD2-CB 3.42Å; I404-S406 VanDerWaalsContact C-N 3.28Å; I404-S406 PolarHBondContact O-N 3.41Å; S406-N408 PolarHBondContact O-N 2.84Å; S406-K409 WeakPolarHBondContact O-CB 3.4Å; S406-K409 PolarHBondContact O-N 2.8Å
407	S	43.8	Very low	56.4	Low	80 Å²	80	90.8 Å²	90.8	56%	0.559	48%	0.479	S	S	*	.	H	α-helix	trans	-59.9	-47.1	178	55.5	0	0	0	0	111.9	I404 K409 H410	I404-S407 PolarHBondContact O-OG 3.06Å; I404-S407 VanDerWaalsContact O-OG 3.12Å; S407-K409 VanDerWaalsContact C-N 3.28Å; S407-K409 PolarHBondContact O-N 2.77Å; S407-H410 PolarHBondContact O-N 3.41Å
408	N	49.4	Very low	58.8	Low	118 Å²	118	87.8 Å²	87.8	63%	0.631	46%	0.459	S	S	*	.	H	α-helix	trans	-62.5	-28.7	-180	-77.7	-14.2	0	0	0	113.7	S406 H410 A411	S406-N408 PolarHBondContact O-N 2.84Å; N408-H410 PolarHBondContact O-N 2.99Å; N408-A411 WeakPolarHBondContact O-CB 3.36Å; N408-A411 PolarHBondContact O-N 3.05Å
409	K	54.2	Low	61.7	Low	136 Å²	136	76.4 Å²	76.4	59%	0.591	42%	0.417	S	S	*	.	H	α-helix	trans	-59.1	-22	178	-68.1	171.1	-173.9	153.6	0	113.1	D403 S406 S407	D403-K409 IonicContact OD2-NZ 2.72Å; D403-K409 PolarHBondContact OD2-NZ 3.42Å; S406-K409 WeakPolarHBondContact O-CB 3.4Å; S406-K409 PolarHBondContact O-N 2.8Å; S407-K409 VanDerWaalsContact C-N 3.28Å; S407-K409 PolarHBondContact O-N 2.77Å
410	H	58.7	Low	64.8	Low	25 Å²	25	74 Å²	74	12%	0.116	39%	0.392	C	S	.	.	H	α-helix	trans	-85.9	-25	175	-77.6	-74.9	0	0	0	114.2	K395 S407 N408 E412 S413 G436 K439	K395-H410 PolarHBondContact O-CE1 2.6Å; S407-H410 PolarHBondContact O-N 3.41Å; N408-H410 PolarHBondContact O-N 2.99Å; H410-E412 PolarHBondContact O-N 3.29Å; H410-S413 WeakPolarHBondContact O-CB 3.39Å; H410-S413 PolarHBondContact O-N 2.87Å; H410-G436 WeakPolarHBondContact O-CA 3.21Å; H410-K439 HydrophobicContact CB-CD 4.23Å; H410-K439 HydrophobicContact CB-CG 4.26Å
411	A	60.5	Low	68.1	Low	39 Å²	39	70 Å²	70	32%	0.322	36%	0.364	S	S	.	.	H	α-helix	trans	-65.1	-27.6	-176.3	0	0	0	0	0	113.1	N408 G436	N408-A411 WeakPolarHBondContact O-CB 3.36Å; N408-A411 PolarHBondContact O-N 3.05Å; A411-G436 CarbonylContact O-C 3.51Å; A411-G436 WeakPolarHBondContact O-CA 3.35Å
412	E	73.8	Confident	70.7	Confident	170 Å²	170	65.1 Å²	65.1	79%	0.794	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	2.6	175.9	-58.2	-173.8	164	0	0	113.3	H410 M414	H410-E412 PolarHBondContact O-N 3.29Å; E412-M414 PolarHBondContact O-N 2.85Å
413	S	84.7	Confident	73.6	Confident	23 Å²	23	60.9 Å²	60.9	16%	0.161	31%	0.309	C	S	.	.			trans	-69.7	107	-167.2	-168.6	0	0	0	0	113	H410 S415 L435 G436	H410-S413 WeakPolarHBondContact O-CB 3.39Å; H410-S413 PolarHBondContact O-N 2.87Å; S413-S415 PolarHBondContact O-N 3.38Å; S413-S415 VanDerWaalsContact O-N 3.11Å; S413-L435 PolarHBondContact O-N 3.2Å; S413-G436 PolarHBondContact O-N 3.45Å
414	M	89.3	Confident	76.4	Confident	72 Å²	72	58 Å²	58	36%	0.355	29%	0.294	S	S	.	.			trans	-76	14.8	174.1	-60.1	-67.3	-74.6	0	0	113.4	E412 L434 S746 K747	E412-M414 PolarHBondContact O-N 2.85Å; M414-L434 HydrophobicContact CE-CD1 3.77Å; M414-L434 HydrophobicContact SD-CD1 3.8Å; M414-S746 WeakPolarHBondContact CG-O 3.39Å; M414-K747 HydrophobicContact CB-CB 4.09Å; M414-K747 HydrophobicContact CB-CG 4.06Å; M414-K747 HydrophobicContact CE-CB 4.45Å; M414-K747 PolarHBondContact O-NZ 3.07Å
415	S	91.9	Very high	78.9	Confident	19 Å²	19	54.8 Å²	54.8	13%	0.133	27%	0.272	C	S	.	.			trans	-68.3	155.6	168.4	-163.5	0	0	0	0	110.5	T392 S413 L434 L435	T392-S415 PolarHBondContact OG1-OG 2.79Å; S413-S415 PolarHBondContact O-N 3.38Å; S413-S415 VanDerWaalsContact O-N 3.11Å; S415-L434 CarbonylContact O-C 3.55Å; S415-L434 VanDerWaalsContact O-CA 3.29Å; S415-L434 WeakPolarHBondContact O-CA 3.36Å; S415-L435 PolarHBondContact O-N 3.27Å
416	E	94.6	Very high	81.5	Confident	61 Å²	61	52.6 Å²	52.6	29%	0.285	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-104.4	132	-175.5	-171.5	-174.9	129.3	0	0	110.9	R288 T392 A418	R288-E416 IonicContact CZ-OE1 2.84Å; R288-E416 IonicContact NE-OE1 3.37Å; R288-E416 PolarHBondContact NE-OE1 3.44Å; R288-E416 IonicContact NH2-OE1 3.65Å; R288-E416 PolarHBondContact NH2-OE1 3.19Å; T392-E416 VanDerWaalsContact CB-O 3.24Å; T392-E416 WeakPolarHBondContact CB-O 3.39Å; T392-E416 PolarHBondContact OG1-O 3.05Å; E416-A418 PolarHBondContact O-N 3.01Å
417	V	95.9	Very high	84	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.28	C	S	.	.			trans	-73.4	111.2	172.5	173.6	0	0	0	0	108.4	A390 C420 V429 G432 M433 A438	A390-V417 HydrophobicContact CB-CG1 3.93Å; A390-V417 HydrophobicContact CB-CG2 4.29Å; V417-C420 HydrophobicContact CG1-CB 3.95Å; V417-V429 HydrophobicContact CG1-CG1 4.37Å; V417-G432 PolarHBondContact O-N 3.29Å; V417-M433 PolarHBondContact N-O 2.89Å; V417-A438 HydrophobicContact CG2-CB 3.93Å
418	A	95.5	Very high	86.5	Confident	3 Å²	3	51.2 Å²	51.2	3%	0.025	27%	0.268	C	S	.	.			trans	-77.5	-48.9	-174.4	0	0	0	0	0	112.9	R288 F373 I391 E416 Y450	R288-A418 PolarHBondContact NH1-O 3.47Å; F373-A418 HydrophobicContact CD2-CB 4.17Å; F373-A418 HydrophobicContact CE2-CB 4.46Å; I391-A418 HydrophobicContact CB-CB 4.36Å; I391-A418 HydrophobicContact CG2-CB 4.44Å; I391-A418 WeakPolarHBondContact O-CB 3.17Å; I391-A418 PolarHBondContact O-N 3.18Å; E416-A418 PolarHBondContact O-N 3.01Å; A418-Y450 HydrophobicContact CB-CE1 3.46Å; A418-Y450 VanDerWaalsContact CB-CE1 3.46Å; A418-Y450 WeakPolarHBondContact CB-OH 3.44Å
419	S	97.1	Very high	88.7	Confident	5 Å²	5	45.6 Å²	45.6	4%	0.035	24%	0.237	C	C	.	.			trans	-140.7	147.2	166.2	-169.3	0	0	0	0	108.8	C371 A390 I391 N431	C371-S419 WeakPolarHBondContact O-CB 3.25Å; C371-S419 PolarHBondContact O-OG 3.28Å; A390-S419 WeakPolarHBondContact CA-O 3.41Å; I391-S419 PolarHBondContact N-O 2.82Å; S419-N431 WeakPolarHBondContact CA-OD1 3.46Å
420	C	97.3	Very high	90.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-125.1	148.1	168.9	56.6	0	0	0	0	111.8	C371 I389 V417 A424 R425 V429 N431	C371-C420 WeakPolarHBondContact CB-O 3.48Å; I389-C420 VanDerWaalsContact O-CA 3.31Å; I389-C420 WeakPolarHBondContact O-CA 3.36Å; V417-C420 HydrophobicContact CG1-CB 3.95Å; C420-A424 HydrophobicContact CB-CB 4.05Å; C420-R425 PolarHBondContact O-NE 3.39Å; C420-R425 PolarHBondContact O-NH2 3.23Å; C420-V429 HydrophobicContact CB-CG1 4.11Å; C420-N431 PolarHBondContact N-OD1 3.02Å; C420-N431 PolarHBondContact SG-OD1 2.8Å; C420-N431 VanDerWaalsContact SG-OD1 3.35Å
421	S	97.5	Very high	92.5	Very high	8 Å²	8	48.4 Å²	48.4	6%	0.056	25%	0.253	C	S	.	.			trans	-55.4	158.2	172.8	55.8	0	0	0	0	111.9	I389 T423 A424 R425	I389-S421 PolarHBondContact N-OG 2.89Å; I389-S421 PolarHBondContact O-N 3.4Å; I389-S421 PolarHBondContact O-OG 2.85Å; S421-T423 VanDerWaalsContact C-N 3.31Å; S421-T423 PolarHBondContact O-N 2.75Å; S421-A424 PolarHBondContact O-N 3.4Å; S421-A424 WeakPolarHBondContact OG-CB 3.2Å; S421-A424 PolarHBondContact OG-N 2.79Å; S421-R425 WeakPolarHBondContact O-CG 3.3Å; S421-R425 PolarHBondContact O-N 2.96Å
422	Y	96.3	Very high	94.1	Very high	44 Å²	44	48.6 Å²	48.6	17%	0.173	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-32.6	176.3	-78.5	-84.7	0	0	0	112.6	D370 C371 R425 H426 P555	D370-Y422 HydrophobicContact CB-CE2 3.92Å; D370-Y422 WeakPolarHBondContact OD1-CE2 3.42Å; D370-Y422 VanDerWaalsContact OD1-CZ 3.31Å; D370-Y422 PolarHBondContact OD1-OH 2.68Å; C371-Y422 HydrophobicContact CB-CD2 4.33Å; C371-Y422 HydrophobicContact CB-CE2 4.07Å; Y422-R425 WeakPolarHBondContact O-CA 3.49Å; Y422-R425 WeakPolarHBondContact O-CB 3.38Å; Y422-R425 PolarHBondContact O-N 3.47Å; Y422-R425 VanDerWaalsContact O-N 3.1Å; Y422-R425 PolarHBondContact OH-NH1 3.45Å; Y422-R425 VanDerWaalsContact OH-NH1 3.13Å; Y422-H426 PolarHBondContact O-N 2.93Å; Y422-H426 PolarHBondContact O-ND1 3.45Å; Y422-P555 HydrophobicContact CD1-CB 3.83Å; Y422-P555 HydrophobicContact CD1-CG 4.06Å; Y422-P555 HydrophobicContact CD2-CB 3.73Å; Y422-P555 HydrophobicContact CE1-CB 3.77Å; Y422-P555 HydrophobicContact CE1-CG 4.32Å; Y422-P555 HydrophobicContact CE2-CB 3.66Å; Y422-P555 HydrophobicContact CG-CB 3.81Å; Y422-P555 HydrophobicContact CG-CG 4.19Å
423	T	96.7	Very high	95.1	Very high	48 Å²	48	42.3 Å²	42.3	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-66.7	-39.4	174	54.4	0	0	0	0	112.2	D386 K387 S421 R425 H426 A427	D386-T423 WeakPolarHBondContact O-CB 3.07Å; D386-T423 WeakPolarHBondContact O-CG2 3.28Å; D386-T423 PolarHBondContact O-OG1 3.34Å; K387-T423 PolarHBondContact O-OG1 3.11Å; S421-T423 VanDerWaalsContact C-N 3.31Å; S421-T423 PolarHBondContact O-N 2.75Å; T423-R425 VanDerWaalsContact C-N 3.3Å; T423-R425 PolarHBondContact O-N 2.95Å; T423-H426 PolarHBondContact O-N 3.09Å; T423-A427 PolarHBondContact O-N 3.22Å
424	A	97.5	Very high	95.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-31.9	168.5	0	0	0	0	0	113.2	P388 C420 S421 A427 G428 V429 L445	P388-A424 HydrophobicContact CB-CB 3.98Å; C420-A424 HydrophobicContact CB-CB 4.05Å; S421-A424 PolarHBondContact O-N 3.4Å; S421-A424 WeakPolarHBondContact OG-CB 3.2Å; S421-A424 PolarHBondContact OG-N 2.79Å; A424-A427 CarbonylContact O-C 3.18Å; A424-A427 PolarHBondContact O-N 2.84Å; A424-G428 PolarHBondContact O-N 3.07Å; A424-V429 HydrophobicContact CB-CB 4.23Å; A424-V429 HydrophobicContact CB-CG2 4.49Å; A424-V429 VanDerWaalsContact O-CB 3.25Å; A424-V429 WeakPolarHBondContact O-CB 3.27Å; A424-V429 PolarHBondContact O-N 2.95Å; A424-L445 HydrophobicContact CB-CD1 3.7Å
425	R	97.1	Very high	95.7	Very high	77 Å²	77	40.9 Å²	40.9	29%	0.291	22%	0.222	S	C	.	.	H	α-helix	trans	-69.3	-35.4	174.6	-67.2	170.6	-163.2	-166	0.8	112.9	C371 C420 S421 Y422 T423 A427 G428 V429	C371-R425 VanDerWaalsContact CB-NH2 3.35Å; C420-R425 PolarHBondContact O-NE 3.39Å; C420-R425 PolarHBondContact O-NH2 3.23Å; S421-R425 WeakPolarHBondContact O-CG 3.3Å; S421-R425 PolarHBondContact O-N 2.96Å; Y422-R425 WeakPolarHBondContact O-CA 3.49Å; Y422-R425 WeakPolarHBondContact O-CB 3.38Å; Y422-R425 PolarHBondContact O-N 3.47Å; Y422-R425 VanDerWaalsContact O-N 3.1Å; Y422-R425 PolarHBondContact OH-NH1 3.45Å; Y422-R425 VanDerWaalsContact OH-NH1 3.13Å; T423-R425 VanDerWaalsContact C-N 3.3Å; T423-R425 PolarHBondContact O-N 2.95Å; R425-A427 VanDerWaalsContact C-N 3.3Å; R425-G428 WeakPolarHBondContact O-CA 3.39Å; R425-G428 PolarHBondContact O-N 2.94Å; R425-V429 WeakPolarHBondContact CA-O 3.42Å
426	H	96	Very high	95.7	Very high	161 Å²	161	40.1 Å²	40.1	75%	0.745	22%	0.217	S	C	*	.	H	α-helix	trans	-62.7	-38.5	171.5	-69.8	103.5	0	0	0	111.1	Y422 T423 G428	Y422-H426 PolarHBondContact O-N 2.93Å; Y422-H426 PolarHBondContact O-ND1 3.45Å; T423-H426 PolarHBondContact O-N 3.09Å; H426-G428 PolarHBondContact O-N 3.05Å; H426-G428 VanDerWaalsContact O-N 3.07Å
427	A	96.2	Very high	95.6	Very high	39 Å²	39	43.6 Å²	43.6	32%	0.322	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	15.6	167.9	0	0	0	0	0	114.4	T423 A424 R425 V429 C442	T423-A427 PolarHBondContact O-N 3.22Å; A424-A427 CarbonylContact O-C 3.18Å; A424-A427 PolarHBondContact O-N 2.84Å; R425-A427 VanDerWaalsContact C-N 3.3Å; A427-V429 VanDerWaalsContact C-N 3.32Å; A427-V429 PolarHBondContact O-N 2.93Å; A427-C442 HydrophobicContact CB-CB 3.89Å
428	G	96.3	Very high	95.6	Very high	28 Å²	28	43.6 Å²	43.6	29%	0.289	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	0	173.5	0	0	0	0	0	116.5	A424 R425 H426 M433	A424-G428 PolarHBondContact O-N 3.07Å; R425-G428 WeakPolarHBondContact O-CA 3.39Å; R425-G428 PolarHBondContact O-N 2.94Å; H426-G428 PolarHBondContact O-N 3.05Å; H426-G428 VanDerWaalsContact O-N 3.07Å; G428-M433 WeakPolarHBondContact O-CE 3.42Å
429	V	96.7	Very high	95.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.			trans	-70.3	141.2	176.2	-176.7	0	0	0	0	110.3	V417 C420 A424 R425 A427 M433 A438 L441 C442 L445	V417-V429 HydrophobicContact CG1-CG1 4.37Å; C420-V429 HydrophobicContact CB-CG1 4.11Å; A424-V429 HydrophobicContact CB-CB 4.23Å; A424-V429 HydrophobicContact CB-CG2 4.49Å; A424-V429 VanDerWaalsContact O-CB 3.25Å; A424-V429 WeakPolarHBondContact O-CB 3.27Å; A424-V429 PolarHBondContact O-N 2.95Å; R425-V429 WeakPolarHBondContact CA-O 3.42Å; A427-V429 VanDerWaalsContact C-N 3.32Å; A427-V429 PolarHBondContact O-N 2.93Å; V429-M433 HydrophobicContact CG1-SD 4.49Å; V429-A438 HydrophobicContact CG1-CB 3.71Å; V429-A438 HydrophobicContact CG2-CB 4.17Å; V429-L441 HydrophobicContact CG2-CB 4.48Å; V429-C442 HydrophobicContact CG2-CB 3.89Å; V429-L445 HydrophobicContact CG1-CD2 4.48Å; V429-L445 HydrophobicContact CG2-CD1 4.37Å
430	K	96.2	Very high	95.2	Very high	140 Å²	140	51.1 Å²	51.1	61%	0.609	26%	0.261	S	S	*	.			trans	-135.3	147.9	-175.8	-58	-175.3	-177.2	-174.1	0	111.9	G432 M433	K430-G432 PolarHBondContact O-N 2.96Å; K430-M433 HydrophobicContact CB-CE 4.24Å; K430-M433 HydrophobicContact CG-CE 4.33Å; K430-M433 WeakPolarHBondContact O-CB 3.38Å; K430-M433 PolarHBondContact O-N 3.4Å
431	N	95.7	Very high	95.1	Very high	79 Å²	79	54.3 Å²	54.3	42%	0.422	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	135.6	171.1	-64.7	13.7	0	0	0	109.9	S419 C420 M433	S419-N431 WeakPolarHBondContact CA-OD1 3.46Å; C420-N431 PolarHBondContact N-OD1 3.02Å; C420-N431 PolarHBondContact SG-OD1 2.8Å; C420-N431 VanDerWaalsContact SG-OD1 3.35Å; N431-M433 VanDerWaalsContact C-N 3.3Å
432	G	93.7	Very high	95	Very high	44 Å²	44	54.4 Å²	54.4	45%	0.454	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-0.1	-174	0	0	0	0	0	115.2	V417 K430	V417-G432 PolarHBondContact O-N 3.29Å; K430-G432 PolarHBondContact O-N 2.96Å
433	M	94.5	Very high	94.8	Very high	37 Å²	37	56.5 Å²	56.5	18%	0.182	30%	0.297	C	S	.	.			trans	-70.7	151.7	169.9	-169.7	177.8	-71.4	0	0	110.9	V417 G428 V429 K430 N431 R437 A438 L441	V417-M433 PolarHBondContact N-O 2.89Å; G428-M433 WeakPolarHBondContact O-CE 3.42Å; V429-M433 HydrophobicContact CG1-SD 4.49Å; K430-M433 HydrophobicContact CB-CE 4.24Å; K430-M433 HydrophobicContact CG-CE 4.33Å; K430-M433 WeakPolarHBondContact O-CB 3.38Å; K430-M433 PolarHBondContact O-N 3.4Å; N431-M433 VanDerWaalsContact C-N 3.3Å; M433-R437 HydrophobicContact CG-CB 4.25Å; M433-R437 HydrophobicContact CG-CG 4.42Å; M433-R437 HydrophobicContact SD-CB 4.38Å; M433-R437 HydrophobicContact SD-CG 4.14Å; M433-A438 HydrophobicContact CG-CB 4.41Å; M433-A438 HydrophobicContact SD-CB 3.94Å; M433-L441 HydrophobicContact CE-CD1 3.7Å; M433-L441 HydrophobicContact SD-CD1 3.79Å
434	L	94.4	Very high	94.6	Very high	65 Å²	65	60.1 Å²	60.1	34%	0.34	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-78.1	136.8	172	-60.2	173.5	0	0	0	110.1	M414 S415 G436 R437 A438	M414-L434 HydrophobicContact CE-CD1 3.77Å; M414-L434 HydrophobicContact SD-CD1 3.8Å; S415-L434 CarbonylContact O-C 3.55Å; S415-L434 VanDerWaalsContact O-CA 3.29Å; S415-L434 WeakPolarHBondContact O-CA 3.36Å; L434-G436 VanDerWaalsContact C-N 3.27Å; L434-G436 PolarHBondContact O-N 3.4Å; L434-R437 PolarHBondContact O-N 3.06Å; L434-A438 PolarHBondContact O-N 3.32Å
435	L	93.6	Very high	94.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-56.6	-39.5	-173.3	176.4	64.1	0	0	0	112.5	T392 A394 S413 S415 R437 A438 K439 L445 V447	T392-L435 HydrophobicContact CG2-CD2 4.11Å; A394-L435 HydrophobicContact CB-CD2 3.51Å; S413-L435 PolarHBondContact O-N 3.2Å; S415-L435 PolarHBondContact O-N 3.27Å; L435-R437 VanDerWaalsContact C-N 3.33Å; L435-R437 PolarHBondContact O-N 3.09Å; L435-A438 WeakPolarHBondContact O-CB 3.42Å; L435-A438 PolarHBondContact O-N 3.42Å; L435-A438 VanDerWaalsContact O-N 3.11Å; L435-K439 HydrophobicContact CD1-CG 4.08Å; L435-K439 HydrophobicContact CG-CG 4.32Å; L435-K439 WeakPolarHBondContact O-CB 3.37Å; L435-K439 PolarHBondContact O-N 3.11Å; L435-L445 HydrophobicContact CD1-CD2 4Å; L435-V447 HydrophobicContact CD1-CG2 3.59Å; L435-V447 HydrophobicContact CD2-CG2 4.16Å
436	G	91.3	Very high	94.2	Very high	4 Å²	4	59 Å²	59	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-56.9	-44.1	175.7	0	0	0	0	0	113	H410 A411 S413 L434 K439 Q440	H410-G436 WeakPolarHBondContact O-CA 3.21Å; A411-G436 CarbonylContact O-C 3.51Å; A411-G436 WeakPolarHBondContact O-CA 3.35Å; S413-G436 PolarHBondContact O-N 3.45Å; L434-G436 VanDerWaalsContact C-N 3.27Å; L434-G436 PolarHBondContact O-N 3.4Å; G436-K439 PolarHBondContact O-N 3.43Å; G436-Q440 WeakPolarHBondContact O-CG 3.39Å; G436-Q440 PolarHBondContact O-N 3.32Å; G436-Q440 VanDerWaalsContact O-N 3.08Å
437	R	92.9	Very high	94.1	Very high	133 Å²	133	51.8 Å²	51.8	50%	0.502	28%	0.281	S	S	.	.	H	α-helix	trans	-72.4	-32.2	174.8	-175.1	55.7	-177.5	176	4.8	112.5	M433 L434 L435 Q440 L441	M433-R437 HydrophobicContact CG-CB 4.25Å; M433-R437 HydrophobicContact CG-CG 4.42Å; M433-R437 HydrophobicContact SD-CB 4.38Å; M433-R437 HydrophobicContact SD-CG 4.14Å; L434-R437 PolarHBondContact O-N 3.06Å; L435-R437 VanDerWaalsContact C-N 3.33Å; L435-R437 PolarHBondContact O-N 3.09Å; R437-Q440 PolarHBondContact O-N 2.91Å; R437-L441 WeakPolarHBondContact O-CG 3.48Å; R437-L441 PolarHBondContact O-N 2.81Å
438	A	94.5	Very high	94	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-42.7	174.7	0	0	0	0	0	111.6	V417 V429 M433 L434 L435 Q440 L441 C442 L445	V417-A438 HydrophobicContact CG2-CB 3.93Å; V429-A438 HydrophobicContact CG1-CB 3.71Å; V429-A438 HydrophobicContact CG2-CB 4.17Å; M433-A438 HydrophobicContact CG-CB 4.41Å; M433-A438 HydrophobicContact SD-CB 3.94Å; L434-A438 PolarHBondContact O-N 3.32Å; L435-A438 WeakPolarHBondContact O-CB 3.42Å; L435-A438 PolarHBondContact O-N 3.42Å; L435-A438 VanDerWaalsContact O-N 3.11Å; A438-Q440 VanDerWaalsContact C-N 3.34Å; A438-Q440 PolarHBondContact O-N 2.97Å; A438-L441 PolarHBondContact O-N 3.42Å; A438-L441 VanDerWaalsContact O-N 3.16Å; A438-C442 PolarHBondContact O-N 3.24Å; A438-L445 HydrophobicContact CB-CD2 3.56Å
439	K	92.9	Very high	93.9	Very high	53 Å²	53	53.7 Å²	53.7	23%	0.23	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-33.5	172.7	-79.6	-91.3	171.7	-165.4	0	113.3	H410 L435 G436 L441 C442 P443 L445	H410-K439 HydrophobicContact CB-CD 4.23Å; H410-K439 HydrophobicContact CB-CG 4.26Å; L435-K439 HydrophobicContact CD1-CG 4.08Å; L435-K439 HydrophobicContact CG-CG 4.32Å; L435-K439 WeakPolarHBondContact O-CB 3.37Å; L435-K439 PolarHBondContact O-N 3.11Å; G436-K439 PolarHBondContact O-N 3.43Å; K439-L441 VanDerWaalsContact C-N 3.31Å; K439-C442 WeakPolarHBondContact CA-O 3.29Å; K439-C442 CarbonylContact O-C 3.58Å; K439-C442 VanDerWaalsContact O-C 3.28Å; K439-P443 PolarHBondContact NZ-O 2.69Å; K439-P443 VanDerWaalsContact O-CA 3.29Å; K439-P443 WeakPolarHBondContact O-CA 2.76Å; K439-L445 WeakPolarHBondContact CE-O 3.44Å; K439-L445 PolarHBondContact NZ-O 3.17Å
440	Q	92.5	Very high	93.8	Very high	113 Å²	113	55.2 Å²	55.2	53%	0.528	29%	0.29	S	S	.	.	H	α-helix	trans	-69.4	-24.8	172.8	-73.6	171.7	1.5	0	0	113.8	G436 R437 A438	G436-Q440 WeakPolarHBondContact O-CG 3.39Å; G436-Q440 PolarHBondContact O-N 3.32Å; G436-Q440 VanDerWaalsContact O-N 3.08Å; R437-Q440 PolarHBondContact O-N 2.91Å; A438-Q440 VanDerWaalsContact C-N 3.34Å; A438-Q440 PolarHBondContact O-N 2.97Å
441	L	94.8	Very high	93.7	Very high	67 Å²	67	51.8 Å²	51.8	35%	0.351	28%	0.279	S	S	.	.	H	α-helix	trans	-92.6	-30.6	177.1	-66.3	173.5	0	0	0	112.2	V429 M433 R437 A438 K439	V429-L441 HydrophobicContact CG2-CB 4.48Å; M433-L441 HydrophobicContact CE-CD1 3.7Å; M433-L441 HydrophobicContact SD-CD1 3.79Å; R437-L441 WeakPolarHBondContact O-CG 3.48Å; R437-L441 PolarHBondContact O-N 2.81Å; A438-L441 PolarHBondContact O-N 3.42Å; A438-L441 VanDerWaalsContact O-N 3.16Å; K439-L441 VanDerWaalsContact C-N 3.31Å
442	C	94.6	Very high	93.5	Very high	10 Å²	10	49 Å²	49	7%	0.068	26%	0.263	C	S	.	.			trans	-140.3	93	178.5	-176.7	0	0	0	0	108.6	P388 A427 V429 A438 K439 D444 L445	P388-C442 VanDerWaalsContact CB-SG 3.56Å; A427-C442 HydrophobicContact CB-CB 3.89Å; V429-C442 HydrophobicContact CG2-CB 3.89Å; A438-C442 PolarHBondContact O-N 3.24Å; K439-C442 WeakPolarHBondContact CA-O 3.29Å; K439-C442 CarbonylContact O-C 3.58Å; K439-C442 VanDerWaalsContact O-C 3.28Å; C442-D444 VanDerWaalsContact C-N 3.28Å; C442-D444 PolarHBondContact O-N 3.05Å; C442-L445 HydrophobicContact CB-CB 4.22Å; C442-L445 WeakPolarHBondContact O-CB 3.18Å; C442-L445 PolarHBondContact O-N 3.07Å
443	P	91.9	Very high	93.5	Very high	89 Å²	89	52.6 Å²	52.6	58%	0.578	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-42.1	-178.5	-27.9	37.1	0	0	0	112.7	K439 L445	K439-P443 PolarHBondContact NZ-O 2.69Å; K439-P443 VanDerWaalsContact O-CA 3.29Å; K439-P443 WeakPolarHBondContact O-CA 2.76Å; P443-L445 PolarHBondContact O-N 3.31Å; P443-L445 VanDerWaalsContact O-N 3.12Å
444	D	92.3	Very high	93.5	Very high	124 Å²	124	52 Å²	52	66%	0.663	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	1.9	-177.4	-47.9	-65.5	0	0	0	114.1	P388 C442 I446	P388-D444 HydrophobicContact CG-CB 4.41Å; C442-D444 VanDerWaalsContact C-N 3.28Å; C442-D444 PolarHBondContact O-N 3.05Å; D444-I446 WeakPolarHBondContact O-CG1 3.38Å; D444-I446 PolarHBondContact O-N 3.08Å
445	L	93.9	Very high	93.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.253	C	S	.	.			trans	-54.6	110.2	-178.5	-172.7	74.9	0	0	0	111.6	P388 A390 A424 V429 L435 A438 K439 C442 P443	P388-L445 HydrophobicContact CB-CD1 4.23Å; P388-L445 CarbonylContact O-C 3.2Å; P388-L445 WeakPolarHBondContact O-CA 3.5Å; P388-L445 WeakPolarHBondContact O-CD1 3.24Å; A390-L445 HydrophobicContact CB-CD1 3.94Å; A390-L445 HydrophobicContact CB-CD2 3.96Å; A390-L445 HydrophobicContact CB-CG 3.99Å; A424-L445 HydrophobicContact CB-CD1 3.7Å; V429-L445 HydrophobicContact CG1-CD2 4.48Å; V429-L445 HydrophobicContact CG2-CD1 4.37Å; L435-L445 HydrophobicContact CD1-CD2 4Å; A438-L445 HydrophobicContact CB-CD2 3.56Å; K439-L445 WeakPolarHBondContact CE-O 3.44Å; K439-L445 PolarHBondContact NZ-O 3.17Å; C442-L445 HydrophobicContact CB-CB 4.22Å; C442-L445 WeakPolarHBondContact O-CB 3.18Å; C442-L445 PolarHBondContact O-N 3.07Å; P443-L445 PolarHBondContact O-N 3.31Å; P443-L445 VanDerWaalsContact O-N 3.12Å
446	I	94.1	Very high	93.6	Very high	52 Å²	52	51.6 Å²	51.6	27%	0.267	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	128.4	178.6	-56.5	-177.8	0	0	0	108.3	L384 K387 P388 I389 A390 D444	L384-I446 HydrophobicContact CD2-CD1 3.8Å; L384-I446 HydrophobicContact CD2-CG2 4.49Å; K387-I446 HydrophobicContact CB-CD1 3.92Å; K387-I446 HydrophobicContact CD-CD1 4.04Å; K387-I446 HydrophobicContact CG-CD1 4.49Å; P388-I446 PolarHBondContact O-N 3.29Å; I389-I446 CarbonylContact C-O 3.41Å; I389-I446 WeakPolarHBondContact CA-O 3.17Å; I389-I446 HydrophobicContact CD1-CB 3.77Å; I389-I446 HydrophobicContact CD1-CD1 4.07Å; I389-I446 HydrophobicContact CD1-CG1 4.36Å; I389-I446 HydrophobicContact CD1-CG2 4.08Å; A390-I446 PolarHBondContact N-O 2.76Å; D444-I446 WeakPolarHBondContact O-CG1 3.38Å; D444-I446 PolarHBondContact O-N 3.08Å
447	V	93.9	Very high	93.7	Very high	9 Å²	9	54 Å²	54	6%	0.055	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127	179.8	159.7	0	0	0	0	111.1	A390 T392 A394 S396 L435	A390-V447 WeakPolarHBondContact O-CA 3.18Å; T392-V447 HydrophobicContact CG2-CB 4.32Å; T392-V447 HydrophobicContact CG2-CG1 3.45Å; T392-V447 VanDerWaalsContact CG2-CG1 3.45Å; T392-V447 HydrophobicContact CG2-CG2 3.89Å; A394-V447 WeakPolarHBondContact O-CG1 3.49Å; S396-V447 VanDerWaalsContact OG-CB 3.28Å; S396-V447 WeakPolarHBondContact OG-CB 3.39Å; S396-V447 PolarHBondContact OG-O 3.42Å; L435-V447 HydrophobicContact CD1-CG2 3.59Å; L435-V447 HydrophobicContact CD2-CG2 4.16Å
448	L	93.9	Very high	93.9	Very high	15 Å²	15	47.8 Å²	47.8	8%	0.079	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	152	174.5	-62.2	-177.5	0	0	0	111.2	L384 I389 A390 I391 T392	L384-L448 HydrophobicContact CD1-CD1 4.1Å; L384-L448 HydrophobicContact CD1-CD2 3.99Å; I389-L448 HydrophobicContact CG2-CD1 3.68Å; I389-L448 HydrophobicContact CG2-CG 3.95Å; A390-L448 PolarHBondContact O-N 3.26Å; I391-L448 WeakPolarHBondContact CA-O 3.48Å; I391-L448 HydrophobicContact CD1-CB 3.75Å; I391-L448 HydrophobicContact CD1-CD1 4.39Å; T392-L448 PolarHBondContact N-O 2.9Å
449	P	92.9	Very high	94	Very high	93 Å²	93	47.9 Å²	47.9	60%	0.604	26%	0.262	S	S	*	.			trans	-73.2	173.6	173.5	33.9	-37.1	0	0	0	111.9
450	Y	94.4	Very high	94.1	Very high	31 Å²	31	48.8 Å²	48.8	12%	0.122	27%	0.267	C	S	.	.			trans	-81.6	146.4	170.1	-59.7	-100	0	0	0	111.1	R288 F373 I391 T392 H393 A418 F452 Y455	R288-Y450 HydrophobicContact CB-CD1 4.37Å; R288-Y450 HydrophobicContact CB-CE1 3.78Å; R288-Y450 WeakPolarHBondContact CD-OH 3.45Å; R288-Y450 HydrophobicContact CG-CE1 4.4Å; F373-Y450 HydrophobicContact CD2-CD1 4.13Å; F373-Y450 HydrophobicContact CD2-CE1 4.22Å; F373-Y450 HydrophobicContact CE2-CD1 4.12Å; F373-Y450 HydrophobicContact CE2-CE1 4.13Å; I391-Y450 HydrophobicContact CG2-CD1 3.72Å; I391-Y450 HydrophobicContact CG2-CD2 4.35Å; I391-Y450 HydrophobicContact CG2-CE1 3.94Å; I391-Y450 HydrophobicContact CG2-CG 3.95Å; T392-Y450 VanDerWaalsContact C-CE2 3.46Å; H393-Y450 HydrophobicContact CB-CE2 4.4Å; H393-Y450 AromaticContact CD2-CE2 3.65Å; H393-Y450 AromaticContact CE1-CD2 3.52Å; H393-Y450 AromaticContact CE1-CE2 3.21Å; H393-Y450 WeakPolarHBondContact CE1-CE2 3.48Å; H393-Y450 AromaticContact CE1-CZ 3.93Å; H393-Y450 AromaticContact CG-CE2 3.55Å; H393-Y450 AromaticContact ND1-CD2 3.56Å; H393-Y450 AromaticContact ND1-CE2 3.28Å; H393-Y450 VanDerWaalsContact ND1-CE2 3.28Å; H393-Y450 WeakPolarHBondContact ND1-CE2 3.19Å; H393-Y450 AromaticContact NE2-CE2 3.44Å; H393-Y450 WeakPolarHBondContact NE2-CE2 3.43Å; H393-Y450 AromaticContact NE2-CZ 3.77Å; A418-Y450 HydrophobicContact CB-CE1 3.46Å; A418-Y450 VanDerWaalsContact CB-CE1 3.46Å; A418-Y450 WeakPolarHBondContact CB-OH 3.44Å; Y450-F452 HydrophobicContact CD1-CD1 4.49Å; Y450-F452 AromaticContact CD1-CE1 3.61Å; Y450-F452 HydrophobicContact CD1-CE1 3.61Å; Y450-F452 AromaticContact CD1-CZ 3.79Å; Y450-F452 HydrophobicContact CD1-CZ 3.79Å; Y450-F452 HydrophobicContact CD2-CZ 4.25Å; Y450-F452 HydrophobicContact CE1-CE1 4.36Å; Y450-F452 HydrophobicContact CE1-CZ 4.47Å; Y450-F452 AromaticContact CG-CE1 3.88Å; Y450-F452 HydrophobicContact CG-CE1 3.88Å; Y450-F452 HydrophobicContact CG-CE2 4.29Å; Y450-F452 AromaticContact CG-CZ 3.65Å; Y450-F452 HydrophobicContact CG-CZ 3.65Å; Y450-Y455 HydrophobicContact CD1-CE2 4.23Å
451	D	94.2	Very high	94.2	Very high	68 Å²	68	46.3 Å²	46.3	36%	0.364	26%	0.257	S	S	.	.			trans	-124.3	77.5	170.4	-166.1	-26.6	0	0	0	109	E453 A454 Y455	D451-E453 VanDerWaalsContact C-N 3.33Å; D451-E453 PolarHBondContact O-N 3.14Å; D451-A454 HydrophobicContact CB-CB 4.11Å; D451-A454 PolarHBondContact O-N 3.1Å; D451-A454 WeakPolarHBondContact OD1-CB 3.21Å; D451-A454 PolarHBondContact OD1-N 2.91Å; D451-A454 VanDerWaalsContact OD1-N 3.09Å; D451-Y455 HydrophobicContact CB-CE1 4.24Å; D451-Y455 PolarHBondContact N-OH 2.88Å; D451-Y455 VanDerWaalsContact O-CD1 3.31Å; D451-Y455 WeakPolarHBondContact O-CD1 3.17Å; D451-Y455 WeakPolarHBondContact O-CD2 3.22Å; D451-Y455 WeakPolarHBondContact O-CE2 3.3Å; D451-Y455 PolarHBondContact O-N 3.22Å
452	F	93.1	Very high	94.3	Very high	20 Å²	20	43.2 Å²	43.2	9%	0.088	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-39.5	-170.1	-66.1	-60.1	0	0	0	112.3	R288 H291 W295 Y450 Y455 K456	R288-F452 HydrophobicContact CB-CE1 3.9Å; R288-F452 HydrophobicContact CB-CZ 4.26Å; H291-F452 HydrophobicContact CB-CD1 4.16Å; H291-F452 HydrophobicContact CB-CE1 4.47Å; H291-F452 AromaticContact CD2-CD1 3.45Å; H291-F452 VanDerWaalsContact CD2-CD1 3.45Å; H291-F452 WeakPolarHBondContact CD2-CD1 3.26Å; H291-F452 AromaticContact CD2-CD2 3.72Å; H291-F452 AromaticContact CD2-CE1 3.61Å; H291-F452 AromaticContact CD2-CE2 3.85Å; H291-F452 AromaticContact CD2-CG 3.52Å; H291-F452 AromaticContact CD2-CZ 3.81Å; H291-F452 AromaticContact CE1-CG 3.89Å; H291-F452 AromaticContact CG-CD1 3.79Å; H291-F452 AromaticContact NE2-CD1 3.9Å; H291-F452 AromaticContact NE2-CD2 3.39Å; H291-F452 WeakPolarHBondContact NE2-CD2 2.82Å; H291-F452 AromaticContact NE2-CE2 3.82Å; H291-F452 AromaticContact NE2-CG 3.44Å; H291-F452 WeakPolarHBondContact NE2-CG 3.28Å; W295-F452 HydrophobicContact CH2-CB 4.27Å; W295-F452 AromaticContact CH2-CD1 3.97Å; W295-F452 HydrophobicContact CH2-CD1 3.97Å; W295-F452 HydrophobicContact CZ2-CB 4.01Å; W295-F452 HydrophobicContact CZ2-CD1 4.34Å; W295-F452 WeakPolarHBondContact CZ2-O 3.19Å; Y450-F452 HydrophobicContact CD1-CD1 4.49Å; Y450-F452 AromaticContact CD1-CE1 3.61Å; Y450-F452 HydrophobicContact CD1-CE1 3.61Å; Y450-F452 AromaticContact CD1-CZ 3.79Å; Y450-F452 HydrophobicContact CD1-CZ 3.79Å; Y450-F452 HydrophobicContact CD2-CZ 4.25Å; Y450-F452 HydrophobicContact CE1-CE1 4.36Å; Y450-F452 HydrophobicContact CE1-CZ 4.47Å; Y450-F452 AromaticContact CG-CE1 3.88Å; Y450-F452 HydrophobicContact CG-CE1 3.88Å; Y450-F452 HydrophobicContact CG-CE2 4.29Å; Y450-F452 AromaticContact CG-CZ 3.65Å; Y450-F452 HydrophobicContact CG-CZ 3.65Å; F452-Y455 HydrophobicContact CD1-CD2 4.3Å; F452-Y455 PolarHBondContact O-N 2.86Å; F452-K456 PolarHBondContact O-N 3.49Å
453	E	91.9	Very high	94.4	Very high	121 Å²	121	42.7 Å²	42.7	57%	0.565	24%	0.237	S	C	*	.	H	α-helix	trans	-62.9	-44.8	176.3	-75.5	71.2	-169.6	0	0	111.6	K235 D451 K456 A457	K235-E453 IonicContact NZ-OE1 2.69Å; D451-E453 VanDerWaalsContact C-N 3.33Å; D451-E453 PolarHBondContact O-N 3.14Å; E453-K456 PolarHBondContact O-N 3.34Å; E453-A457 PolarHBondContact O-N 3.1Å; E453-A457 VanDerWaalsContact O-N 3.08Å
454	A	95.2	Very high	94.5	Very high	25 Å²	25	40.6 Å²	40.6	21%	0.207	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-38.8	173.9	0	0	0	0	0	113.1	V376 D451 K456 A457 V458	V376-A454 HydrophobicContact CG1-CB 3.86Å; D451-A454 HydrophobicContact CB-CB 4.11Å; D451-A454 PolarHBondContact O-N 3.1Å; D451-A454 WeakPolarHBondContact OD1-CB 3.21Å; D451-A454 PolarHBondContact OD1-N 2.91Å; D451-A454 VanDerWaalsContact OD1-N 3.09Å; A454-K456 VanDerWaalsContact C-N 3.32Å; A454-K456 PolarHBondContact O-N 3.42Å; A454-A457 PolarHBondContact O-N 2.81Å; A454-V458 WeakPolarHBondContact O-CG2 3.37Å; A454-V458 PolarHBondContact O-N 3.1Å
455	Y	96.6	Very high	94.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-39.8	175.5	-56.1	-25.9	0	0	0	111.4	W295 F372 F373 V376 S377 Y450 D451 F452 S459	W295-Y455 HydrophobicContact CH2-CD2 4.15Å; W295-Y455 HydrophobicContact CH2-CG 4.43Å; F372-Y455 WeakPolarHBondContact CZ-O 3.31Å; F373-Y455 HydrophobicContact CB-CD1 4.46Å; F373-Y455 HydrophobicContact CB-CE1 3.9Å; F373-Y455 HydrophobicContact CB-CE2 3.93Å; F373-Y455 AromaticContact CD1-CD1 3.98Å; F373-Y455 HydrophobicContact CD1-CD1 3.98Å; F373-Y455 AromaticContact CD1-CD2 3.49Å; F373-Y455 HydrophobicContact CD1-CD2 3.49Å; F373-Y455 VanDerWaalsContact CD1-CD2 3.49Å; F373-Y455 HydrophobicContact CD1-CE1 4.24Å; F373-Y455 AromaticContact CD1-CE2 3.77Å; F373-Y455 HydrophobicContact CD1-CE2 3.77Å; F373-Y455 AromaticContact CD1-CG 3.64Å; F373-Y455 HydrophobicContact CD1-CG 3.64Å; F373-Y455 HydrophobicContact CD2-CD2 4.17Å; F373-Y455 AromaticContact CD2-CE2 3.78Å; F373-Y455 HydrophobicContact CD2-CE2 3.78Å; F373-Y455 AromaticContact CE1-CD2 3.61Å; F373-Y455 HydrophobicContact CE1-CD2 3.61Å; F373-Y455 HydrophobicContact CE1-CE2 4.2Å; F373-Y455 AromaticContact CE1-CG 3.92Å; F373-Y455 HydrophobicContact CE1-CG 3.92Å; F373-Y455 HydrophobicContact CE2-CD2 4.25Å; F373-Y455 HydrophobicContact CE2-CE2 4.19Å; F373-Y455 HydrophobicContact CG-CD1 4.42Å; F373-Y455 AromaticContact CG-CD2 3.81Å; F373-Y455 HydrophobicContact CG-CD2 3.81Å; F373-Y455 HydrophobicContact CG-CE1 4.22Å; F373-Y455 AromaticContact CG-CE2 3.56Å; F373-Y455 HydrophobicContact CG-CE2 3.56Å; F373-Y455 HydrophobicContact CG-CG 4.27Å; F373-Y455 AromaticContact CG-CZ 3.8Å; F373-Y455 AromaticContact CZ-CD2 3.99Å; F373-Y455 HydrophobicContact CZ-CD2 3.99Å; F373-Y455 HydrophobicContact CZ-CE2 4.4Å; F373-Y455 WeakPolarHBondContact O-CE1 3.44Å; F373-Y455 PolarHBondContact O-OH 3.36Å; V376-Y455 HydrophobicContact CB-CD1 3.72Å; V376-Y455 HydrophobicContact CB-CE1 3.92Å; V376-Y455 HydrophobicContact CG1-CD1 3.68Å; V376-Y455 HydrophobicContact CG1-CE1 4.08Å; V376-Y455 HydrophobicContact CG2-CD1 4.32Å; S377-Y455 WeakPolarHBondContact OG-CE1 3.19Å; S377-Y455 PolarHBondContact OG-OH 2.72Å; Y450-Y455 HydrophobicContact CD1-CE2 4.23Å; D451-Y455 HydrophobicContact CB-CE1 4.24Å; D451-Y455 PolarHBondContact N-OH 2.88Å; D451-Y455 VanDerWaalsContact O-CD1 3.31Å; D451-Y455 WeakPolarHBondContact O-CD1 3.17Å; D451-Y455 WeakPolarHBondContact O-CD2 3.22Å; D451-Y455 WeakPolarHBondContact O-CE2 3.3Å; D451-Y455 PolarHBondContact O-N 3.22Å; F452-Y455 HydrophobicContact CD1-CD2 4.3Å; F452-Y455 PolarHBondContact O-N 2.86Å; Y455-S459 WeakPolarHBondContact O-CB 3.47Å; Y455-S459 PolarHBondContact O-N 3.21Å
456	K	93.1	Very high	94.7	Very high	55 Å²	55	35.2 Å²	35.2	24%	0.239	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-47.4	174.5	-178.1	168.1	174.4	166.2	0	111.6	W295 D298 F452 E453 A454 V458 S459 E460	W295-K456 HydrophobicContact CZ2-CB 4.14Å; D298-K456 IonicContact OD2-NZ 3.13Å; D298-K456 PolarHBondContact OD2-NZ 2.92Å; F452-K456 PolarHBondContact O-N 3.49Å; E453-K456 PolarHBondContact O-N 3.34Å; A454-K456 VanDerWaalsContact C-N 3.32Å; A454-K456 PolarHBondContact O-N 3.42Å; K456-V458 PolarHBondContact O-N 2.95Å; K456-S459 WeakPolarHBondContact O-CB 3.32Å; K456-S459 PolarHBondContact O-N 3.26Å; K456-S459 VanDerWaalsContact O-N 3.13Å; K456-E460 WeakPolarHBondContact CE-OE1 3.14Å; K456-E460 WeakPolarHBondContact CE-OE2 3.47Å; K456-E460 HydrophobicContact CG-CG 4.4Å; K456-E460 IonicContact NZ-OE1 3.81Å; K456-E460 PolarHBondContact NZ-OE1 3.13Å; K456-E460 VanDerWaalsContact NZ-OE1 3.11Å; K456-E460 PolarHBondContact O-N 3.33Å
457	A	94.8	Very high	94.8	Very high	56 Å²	56	32.9 Å²	32.9	46%	0.463	18%	0.184	S	C	.	.	H	α-helix	trans	-61	-43.4	-177.8	0	0	0	0	0	113.2	E453 A454 S459 E460 L461	E453-A457 PolarHBondContact O-N 3.1Å; E453-A457 VanDerWaalsContact O-N 3.08Å; A454-A457 PolarHBondContact O-N 2.81Å; A457-S459 VanDerWaalsContact C-N 3.3Å; A457-S459 PolarHBondContact O-N 3.21Å; A457-E460 PolarHBondContact O-N 2.78Å; A457-L461 WeakPolarHBondContact O-CB 3.25Å; A457-L461 PolarHBondContact O-N 3.5Å; A457-L461 VanDerWaalsContact O-N 3.09Å
458	V	96.8	Very high	94.8	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-67.1	-33.5	176.3	177.4	0	0	0	0	111.5	F372 V376 A454 K456 L462 T530	F372-V458 HydrophobicContact CE2-CB 4.27Å; F372-V458 HydrophobicContact CE2-CG1 3.91Å; V376-V458 HydrophobicContact CG1-CG2 3.87Å; V376-V458 HydrophobicContact CG2-CB 4.03Å; V376-V458 HydrophobicContact CG2-CG1 3.96Å; V376-V458 HydrophobicContact CG2-CG2 3.99Å; A454-V458 WeakPolarHBondContact O-CG2 3.37Å; A454-V458 PolarHBondContact O-N 3.1Å; K456-V458 PolarHBondContact O-N 2.95Å; V458-L462 WeakPolarHBondContact O-CB 3.34Å; V458-L462 PolarHBondContact O-N 3.19Å; V458-T530 HydrophobicContact CG1-CG2 3.77Å
459	S	96.4	Very high	94.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-48.7	175.2	-174.5	0	0	0	0	112.5	L299 Y455 K456 A457 L461 L462 Y463 C478	L299-S459 WeakPolarHBondContact CD1-OG 3.37Å; Y455-S459 WeakPolarHBondContact O-CB 3.47Å; Y455-S459 PolarHBondContact O-N 3.21Å; K456-S459 WeakPolarHBondContact O-CB 3.32Å; K456-S459 PolarHBondContact O-N 3.26Å; K456-S459 VanDerWaalsContact O-N 3.13Å; A457-S459 VanDerWaalsContact C-N 3.3Å; A457-S459 PolarHBondContact O-N 3.21Å; S459-L461 VanDerWaalsContact C-N 3.29Å; S459-L461 PolarHBondContact O-N 3Å; S459-L462 PolarHBondContact O-N 2.69Å; S459-Y463 WeakPolarHBondContact O-CD2 3.15Å; S459-Y463 PolarHBondContact O-N 2.65Å; S459-Y463 VanDerWaalsContact O-N 3.12Å; S459-C478 VanDerWaalsContact CB-O 3.32Å; S459-C478 WeakPolarHBondContact CB-O 3.49Å; S459-C478 VanDerWaalsContact OG-C 3.29Å; S459-C478 WeakPolarHBondContact OG-CA 3.36Å; S459-C478 VanDerWaalsContact OG-CB 3.28Å; S459-C478 WeakPolarHBondContact OG-CB 3.22Å; S459-C478 PolarHBondContact OG-O 2.85Å
460	E	94.5	Very high	95	Very high	73 Å²	73	32.8 Å²	32.8	34%	0.341	17%	0.172	S	C	.	.	H	α-helix	trans	-63.8	-36.1	178.3	-70.9	176.5	142	0	0	111.6	L299 K456 A457 S464	L299-E460 HydrophobicContact CD2-CG 4.32Å; K456-E460 WeakPolarHBondContact CE-OE1 3.14Å; K456-E460 WeakPolarHBondContact CE-OE2 3.47Å; K456-E460 HydrophobicContact CG-CG 4.4Å; K456-E460 IonicContact NZ-OE1 3.81Å; K456-E460 PolarHBondContact NZ-OE1 3.13Å; K456-E460 VanDerWaalsContact NZ-OE1 3.11Å; K456-E460 PolarHBondContact O-N 3.33Å; A457-E460 PolarHBondContact O-N 2.78Å; E460-S464 WeakPolarHBondContact O-CB 3.24Å; E460-S464 PolarHBondContact O-N 3.09Å; E460-S464 PolarHBondContact O-OG 3.4Å; E460-S464 VanDerWaalsContact O-OG 3.09Å
461	L	95.6	Very high	94.8	Very high	61 Å²	61	35.8 Å²	35.8	32%	0.319	18%	0.183	S	C	.	.	H	α-helix	trans	-65.8	-42.2	174	-179.1	59.3	0	0	0	113.5	A457 S459 S464 T465 I529 T530	A457-L461 WeakPolarHBondContact O-CB 3.25Å; A457-L461 PolarHBondContact O-N 3.5Å; A457-L461 VanDerWaalsContact O-N 3.09Å; S459-L461 VanDerWaalsContact C-N 3.29Å; S459-L461 PolarHBondContact O-N 3Å; L461-S464 PolarHBondContact O-OG 3.09Å; L461-S464 VanDerWaalsContact O-OG 3.13Å; L461-T465 WeakPolarHBondContact O-CB 3.45Å; L461-T465 PolarHBondContact O-N 3.48Å; L461-T465 PolarHBondContact O-OG1 3.29Å; L461-I529 HydrophobicContact CD1-CD1 4.19Å; L461-I529 HydrophobicContact CD2-CB 4.22Å; L461-I529 HydrophobicContact CD2-CD1 4.46Å; L461-I529 HydrophobicContact CD2-CG1 4.02Å; L461-I529 WeakPolarHBondContact CD2-O 3.28Å; L461-I529 HydrophobicContact CG-CD1 4Å; L461-I529 HydrophobicContact CG-CG1 4.11Å; L461-T530 HydrophobicContact CD2-CG2 4.4Å
462	L	96.9	Very high	94.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-58.3	-51.9	174	173.5	66.3	0	0	0	110.6	I367 M369 V458 S459 S464 T465 I466 L481 V526	I367-L462 HydrophobicContact CG2-CD1 4.45Å; M369-L462 HydrophobicContact CG-CD2 3.74Å; M369-L462 HydrophobicContact SD-CD1 3.99Å; M369-L462 HydrophobicContact SD-CD2 3.84Å; M369-L462 HydrophobicContact SD-CG 4.46Å; V458-L462 WeakPolarHBondContact O-CB 3.34Å; V458-L462 PolarHBondContact O-N 3.19Å; S459-L462 PolarHBondContact O-N 2.69Å; L462-S464 PolarHBondContact O-N 3.13Å; L462-T465 PolarHBondContact O-N 2.96Å; L462-I466 HydrophobicContact CD1-CG1 4.14Å; L462-I466 WeakPolarHBondContact O-CG1 3.39Å; L462-I466 PolarHBondContact O-N 3.47Å; L462-L481 HydrophobicContact CD2-CD2 4.44Å; L462-L481 HydrophobicContact CG-CD2 4.28Å; L462-V526 HydrophobicContact CD1-CG1 4.14Å; L462-V526 HydrophobicContact CD1-CG2 3.84Å
463	Y	95.9	Very high	94.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.7	-38.2	-176.6	-88.3	-92.5	0	0	0	113.5	L299 V303 S459 T465 S467 I473 A475 V476 S477 E480 L481	L299-Y463 HydrophobicContact CD1-CD2 4.26Å; L299-Y463 HydrophobicContact CD1-CE2 3.85Å; L299-Y463 HydrophobicContact CD2-CD2 3.67Å; L299-Y463 HydrophobicContact CD2-CE2 4.09Å; L299-Y463 HydrophobicContact CD2-CG 3.94Å; L299-Y463 HydrophobicContact CG-CD2 4.44Å; L299-Y463 HydrophobicContact CG-CE2 4.39Å; V303-Y463 HydrophobicContact CG2-CD1 3.65Å; V303-Y463 HydrophobicContact CG2-CE1 3.99Å; S459-Y463 WeakPolarHBondContact O-CD2 3.15Å; S459-Y463 PolarHBondContact O-N 2.65Å; S459-Y463 VanDerWaalsContact O-N 3.12Å; Y463-T465 VanDerWaalsContact C-N 3.3Å; Y463-S467 WeakPolarHBondContact O-CB 3.32Å; Y463-S467 PolarHBondContact O-N 3.13Å; Y463-I473 HydrophobicContact CD1-CG2 4.19Å; Y463-I473 HydrophobicContact CE1-CG2 4.06Å; Y463-A475 HydrophobicContact CE1-CB 3.47Å; Y463-A475 VanDerWaalsContact CE1-CB 3.47Å; Y463-A475 WeakPolarHBondContact OH-CA 3.49Å; Y463-A475 VanDerWaalsContact OH-CB 3.29Å; Y463-A475 WeakPolarHBondContact OH-CB 3.32Å; Y463-V476 PolarHBondContact OH-N 2.97Å; Y463-S477 WeakPolarHBondContact CE2-O 3.36Å; Y463-S477 PolarHBondContact OH-O 3.34Å; Y463-E480 PolarHBondContact OH-O 3.21Å; Y463-L481 HydrophobicContact CD1-CD2 3.84Å; Y463-L481 HydrophobicContact CD2-CD2 4.14Å; Y463-L481 HydrophobicContact CE1-CB 3.79Å; Y463-L481 HydrophobicContact CE1-CD2 3.74Å; Y463-L481 HydrophobicContact CE1-CG 4.43Å; Y463-L481 HydrophobicContact CE2-CD2 4.08Å; Y463-L481 HydrophobicContact CG-CD2 4.07Å
464	S	93.7	Very high	95	Very high	45 Å²	45	29.7 Å²	29.7	32%	0.315	15%	0.154	S	C	.	.	H	α-helix	trans	-70.5	-26.3	175.6	65.6	0	0	0	0	112.9	E460 L461 L462 S467	E460-S464 WeakPolarHBondContact O-CB 3.24Å; E460-S464 PolarHBondContact O-N 3.09Å; E460-S464 PolarHBondContact O-OG 3.4Å; E460-S464 VanDerWaalsContact O-OG 3.09Å; L461-S464 PolarHBondContact O-OG 3.09Å; L461-S464 VanDerWaalsContact O-OG 3.13Å; L462-S464 PolarHBondContact O-N 3.13Å; S464-S467 PolarHBondContact O-OG 3.08Å
465	T	95.2	Very high	95	Very high	10 Å²	10	28.7 Å²	28.7	6%	0.061	15%	0.146	C	C	.	.	H	α-helix	trans	-78.5	-46.5	175.6	-59.8	0	0	0	0	111.8	L316 L461 L462 Y463 S467 R468 F469 L525 I529	L316-T465 HydrophobicContact CD1-CG2 4.45Å; L461-T465 WeakPolarHBondContact O-CB 3.45Å; L461-T465 PolarHBondContact O-N 3.48Å; L461-T465 PolarHBondContact O-OG1 3.29Å; L462-T465 PolarHBondContact O-N 2.96Å; Y463-T465 VanDerWaalsContact C-N 3.3Å; T465-S467 PolarHBondContact O-N 3.18Å; T465-R468 WeakPolarHBondContact O-CB 3.34Å; T465-R468 PolarHBondContact O-N 3.43Å; T465-R468 VanDerWaalsContact O-N 3.08Å; T465-F469 HydrophobicContact CG2-CE2 4.34Å; T465-F469 WeakPolarHBondContact O-CD2 3.35Å; T465-L525 HydrophobicContact CG2-CD2 3.6Å; T465-L525 HydrophobicContact CG2-CG 4.1Å; T465-I529 HydrophobicContact CG2-CD1 3.71Å; T465-I529 WeakPolarHBondContact OG1-CD1 3.4Å
466	I	96.6	Very high	94.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-30.4	178.4	-55.9	-54.4	0	0	0	111.3	I367 L462 R468 F469 T470 I473 L481 A483 I522 V526	I367-I466 HydrophobicContact CD1-CD1 3.66Å; I367-I466 HydrophobicContact CD1-CG1 4.01Å; I367-I466 HydrophobicContact CD1-CG2 4.2Å; L462-I466 HydrophobicContact CD1-CG1 4.14Å; L462-I466 WeakPolarHBondContact O-CG1 3.39Å; L462-I466 PolarHBondContact O-N 3.47Å; I466-R468 PolarHBondContact O-N 3.46Å; I466-F469 PolarHBondContact O-N 2.96Å; I466-T470 PolarHBondContact O-N 3.25Å; I466-I473 HydrophobicContact CB-CD1 4.05Å; I466-I473 HydrophobicContact CG2-CD1 3.85Å; I466-I473 HydrophobicContact CG2-CG1 4.29Å; I466-L481 HydrophobicContact CB-CD2 4.4Å; I466-L481 HydrophobicContact CG1-CD2 4.19Å; I466-L481 HydrophobicContact CG2-CD1 4.06Å; I466-A483 HydrophobicContact CG2-CB 3.92Å; I466-I522 HydrophobicContact CD1-CG2 3.44Å; I466-I522 VanDerWaalsContact CD1-CG2 3.44Å; I466-V526 HydrophobicContact CD1-CG2 4.36Å
467	S	94.8	Very high	94.9	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-64.8	-25.3	176.7	74.7	0	0	0	0	113.1	M306 H312 C314 Y463 S464 T465 F469 T470	M306-S467 PolarHBondContact SD-OG 3.28Å; H312-S467 PolarHBondContact CE1-OG 3.15Å; H312-S467 PolarHBondContact NE2-O 2.7Å; H312-S467 PolarHBondContact NE2-OG 3.02Å; C314-S467 PolarHBondContact SG-O 2.88Å; Y463-S467 WeakPolarHBondContact O-CB 3.32Å; Y463-S467 PolarHBondContact O-N 3.13Å; S464-S467 PolarHBondContact O-OG 3.08Å; T465-S467 PolarHBondContact O-N 3.18Å; S467-F469 PolarHBondContact O-N 3.32Å; S467-T470 WeakPolarHBondContact CA-O 3.42Å; S467-T470 PolarHBondContact O-N 3.31Å
468	R	95	Very high	94.8	Very high	93 Å²	93	27.2 Å²	27.2	35%	0.351	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-9.2	173.1	-67.2	175.6	74.6	-160.1	0.9	113.6	C314 D315 L316 G317 T465 I466	C314-R468 CarbonylContact C-O 3.55Å; C314-R468 WeakPolarHBondContact CA-O 3.15Å; D315-R468 VanDerWaalsContact OD1-CB 3.3Å; D315-R468 WeakPolarHBondContact OD1-CB 3.35Å; D315-R468 WeakPolarHBondContact OD1-CG 3.45Å; D315-R468 IonicContact OD1-CZ 3.08Å; D315-R468 IonicContact OD1-NE 2.69Å; D315-R468 PolarHBondContact OD1-NE 3.45Å; D315-R468 IonicContact OD1-NH2 3.11Å; D315-R468 IonicContact OD2-CZ 2.59Å; D315-R468 VanDerWaalsContact OD2-CZ 3.31Å; D315-R468 IonicContact OD2-NE 2.79Å; D315-R468 PolarHBondContact OD2-NE 3.41Å; D315-R468 VanDerWaalsContact OD2-NE 3.12Å; D315-R468 IonicContact OD2-NH2 2.6Å; D315-R468 PolarHBondContact OD2-NH2 3.05Å; L316-R468 HydrophobicContact CB-CB 3.97Å; L316-R468 HydrophobicContact CD1-CB 3.85Å; L316-R468 HydrophobicContact CG-CB 3.87Å; L316-R468 PolarHBondContact N-O 3.39Å; G317-R468 PolarHBondContact N-O 2.78Å; T465-R468 WeakPolarHBondContact O-CB 3.34Å; T465-R468 PolarHBondContact O-N 3.43Å; T465-R468 VanDerWaalsContact O-N 3.08Å; I466-R468 PolarHBondContact O-N 3.46Å
469	F	95.8	Very high	94.9	Very high	8 Å²	8	29 Å²	29	4%	0.035	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-37.7	169.5	-63	-90.7	0	0	0	112.8	L316 T465 I466 S467 L488 L518 Y521 I522 L525	L316-F469 HydrophobicContact CB-CD1 4.34Å; L316-F469 HydrophobicContact CB-CD2 4.44Å; L316-F469 HydrophobicContact CB-CE1 3.98Å; L316-F469 HydrophobicContact CB-CE2 4.09Å; L316-F469 HydrophobicContact CB-CZ 3.84Å; L316-F469 HydrophobicContact CD1-CE2 3.85Å; L316-F469 HydrophobicContact CD1-CZ 4.02Å; T465-F469 HydrophobicContact CG2-CE2 4.34Å; T465-F469 WeakPolarHBondContact O-CD2 3.35Å; I466-F469 PolarHBondContact O-N 2.96Å; S467-F469 PolarHBondContact O-N 3.32Å; F469-L488 HydrophobicContact CB-CD2 4.23Å; F469-L488 HydrophobicContact CD1-CD2 4.31Å; F469-L518 HydrophobicContact CD1-CD1 3.91Å; F469-L518 HydrophobicContact CE1-CD1 4.01Å; F469-Y521 AromaticContact CE1-CD1 3.83Å; F469-Y521 HydrophobicContact CE1-CD1 3.83Å; F469-Y521 AromaticContact CE1-CE1 3.67Å; F469-Y521 HydrophobicContact CE1-CE1 3.67Å; F469-Y521 AromaticContact CZ-CD1 3.93Å; F469-Y521 HydrophobicContact CZ-CD1 3.93Å; F469-Y521 AromaticContact CZ-CE1 3.65Å; F469-Y521 HydrophobicContact CZ-CE1 3.65Å; F469-I522 HydrophobicContact CD1-CD1 4.34Å; F469-I522 HydrophobicContact CD1-CG1 4.38Å; F469-I522 HydrophobicContact CD2-CD1 4.41Å; F469-I522 HydrophobicContact CD2-CG1 4.38Å; F469-I522 HydrophobicContact CE1-CG1 4.08Å; F469-I522 HydrophobicContact CE2-CG1 4.08Å; F469-I522 HydrophobicContact CG-CD1 4.27Å; F469-I522 HydrophobicContact CZ-CG1 3.91Å; F469-L525 HydrophobicContact CE2-CD2 3.79Å; F469-L525 HydrophobicContact CZ-CD2 3.72Å
470	T	93.8	Very high	94.9	Very high	15 Å²	15	30.1 Å²	30.1	9%	0.092	15%	0.152	C	C	.	.			trans	-154.1	143.8	-178.8	177.9	0	0	0	0	113.1	I466 S467 D472 I473 A483 D484	I466-T470 PolarHBondContact O-N 3.25Å; S467-T470 WeakPolarHBondContact CA-O 3.42Å; S467-T470 PolarHBondContact O-N 3.31Å; T470-D472 VanDerWaalsContact C-N 3.31Å; T470-D472 PolarHBondContact OG1-N 3.22Å; T470-D472 VanDerWaalsContact OG1-N 3.09Å; T470-I473 HydrophobicContact CG2-CG1 4.34Å; T470-A483 HydrophobicContact CG2-CB 3.8Å; T470-D484 WeakPolarHBondContact CB-O 3.29Å; T470-D484 WeakPolarHBondContact CG2-O 3.19Å; T470-D484 PolarHBondContact OG1-O 2.72Å
471	R	91.5	Very high	95.1	Very high	94 Å²	94	26.7 Å²	26.7	36%	0.355	14%	0.135	S	C	.	.	S	Bend	trans	-79.6	-12.5	172.1	-60.9	-176.7	178.6	172.7	-6.6	112.7	R307 P310 H312 I473	R307-R471 PolarHBondContact NH1-O 2.87Å; P310-R471 PolarHBondContact O-NH2 3.06Å; H312-R471 PolarHBondContact O-NE 3.07Å; H312-R471 PolarHBondContact O-NH2 3.39Å; R471-I473 VanDerWaalsContact C-N 3.32Å; R471-I473 PolarHBondContact O-N 2.68Å
472	D	93	Very high	95.2	Very high	54 Å²	54	24.5 Å²	24.5	29%	0.289	12%	0.123	S	C	.	.			trans	-91.9	58.3	-175.2	-77	-61.2	0	0	0	113	R307 T470 A483 D484 F675	R307-D472 IonicContact CZ-OD1 2.61Å; R307-D472 IonicContact NH1-OD1 3.77Å; R307-D472 PolarHBondContact NH1-OD1 3.08Å; R307-D472 IonicContact NH2-OD1 2.68Å; R307-D472 PolarHBondContact NH2-OD1 3.5Å; T470-D472 VanDerWaalsContact C-N 3.31Å; T470-D472 PolarHBondContact OG1-N 3.22Å; T470-D472 VanDerWaalsContact OG1-N 3.09Å; D472-A483 WeakPolarHBondContact O-CA 3.44Å; D472-D484 HydrophobicContact CB-CB 3.79Å; D472-D484 PolarHBondContact O-N 3.37Å; D472-F675 VanDerWaalsContact C-CE1 3.49Å; D472-F675 HydrophobicContact CB-CE1 3.81Å; D472-F675 HydrophobicContact CB-CZ 3.79Å; D472-F675 WeakPolarHBondContact O-CE1 3.38Å; D472-F675 VanDerWaalsContact OD1-CE2 3.23Å; D472-F675 WeakPolarHBondContact OD1-CE2 3.38Å; D472-F675 WeakPolarHBondContact OD1-CZ 3.46Å
473	I	94.6	Very high	95.2	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.9	176.3	-64.8	173.9	0	0	0	110.9	V303 Y463 I466 T470 R471 L481 Y482 A483 F675	V303-I473 HydrophobicContact CG1-CB 4.21Å; V303-I473 HydrophobicContact CG1-CG2 4.34Å; V303-I473 WeakPolarHBondContact CG1-O 3.47Å; V303-I473 HydrophobicContact CG2-CG2 3.98Å; Y463-I473 HydrophobicContact CD1-CG2 4.19Å; Y463-I473 HydrophobicContact CE1-CG2 4.06Å; I466-I473 HydrophobicContact CB-CD1 4.05Å; I466-I473 HydrophobicContact CG2-CD1 3.85Å; I466-I473 HydrophobicContact CG2-CG1 4.29Å; T470-I473 HydrophobicContact CG2-CG1 4.34Å; R471-I473 VanDerWaalsContact C-N 3.32Å; R471-I473 PolarHBondContact O-N 2.68Å; I473-L481 HydrophobicContact CG2-CB 4.42Å; I473-L481 HydrophobicContact CG2-CD1 4.5Å; I473-Y482 CarbonylContact C-O 3.59Å; I473-Y482 VanDerWaalsContact CA-O 3.31Å; I473-Y482 WeakPolarHBondContact CA-O 3.39Å; I473-A483 HydrophobicContact CG1-CB 4.27Å; I473-F675 WeakPolarHBondContact O-CD1 3.33Å
474	Q	95.2	Very high	95.1	Very high	24 Å²	24	25.9 Å²	25.9	11%	0.112	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.4	160.1	172.2	168	9.7	0	0	109.8	Y482 L673 Q674	Q474-Y482 PolarHBondContact N-O 3.22Å; Q474-Y482 PolarHBondContact O-N 2.79Å; Q474-L673 HydrophobicContact CB-CD2 3.97Å; Q474-Q674 VanDerWaalsContact CG-O 3.31Å; Q474-Q674 WeakPolarHBondContact CG-O 3.47Å
475	A	94.4	Very high	95.1	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.033	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	141.7	169.4	0	0	0	0	0	112	H300 V303 Y463	H300-A475 PolarHBondContact CE1-O 2.88Å; H300-A475 VanDerWaalsContact CE1-O 3.26Å; V303-A475 HydrophobicContact CG2-CB 4.37Å; Y463-A475 HydrophobicContact CE1-CB 3.47Å; Y463-A475 VanDerWaalsContact CE1-CB 3.47Å; Y463-A475 WeakPolarHBondContact OH-CA 3.49Å; Y463-A475 VanDerWaalsContact OH-CB 3.29Å; Y463-A475 WeakPolarHBondContact OH-CB 3.32Å
476	V	94	Very high	95.1	Very high	55 Å²	55	23.6 Å²	23.6	33%	0.333	12%	0.115	S	C	.	.			trans	-126.6	-47.6	176	-161.6	0	0	0	0	112.6	Y463 E480 Y482	Y463-V476 PolarHBondContact OH-N 2.97Å; V476-E480 WeakPolarHBondContact CA-O 3.42Å; V476-E480 HydrophobicContact CB-CB 4.39Å; V476-E480 HydrophobicContact CB-CG 4.34Å; V476-E480 WeakPolarHBondContact CB-O 3.45Å; V476-E480 VanDerWaalsContact CB-OE1 3.3Å; V476-E480 WeakPolarHBondContact CB-OE1 3.49Å; V476-E480 WeakPolarHBondContact CG1-OE1 3.44Å; V476-E480 PolarHBondContact N-O 3.29Å; V476-E480 VanDerWaalsContact N-O 3.11Å; V476-Y482 HydrophobicContact CG2-CD2 3.53Å; V476-Y482 HydrophobicContact CG2-CE2 3.61Å
477	S	94.3	Very high	94.8	Very high	25 Å²	25	29.5 Å²	29.5	18%	0.175	14%	0.142	C	C	.	.	S	Bend	trans	-142.2	-169.5	170	71.9	0	0	0	0	110.8	Y463 D479 E480	Y463-S477 WeakPolarHBondContact CE2-O 3.36Å; Y463-S477 PolarHBondContact OH-O 3.34Å; S477-D479 WeakPolarHBondContact CB-OD1 3.48Å; S477-D479 PolarHBondContact O-N 3.09Å; S477-D479 PolarHBondContact OG-N 3.35Å; S477-D479 PolarHBondContact OG-OD1 3.01Å; S477-E480 PolarHBondContact N-O 2.67Å; S477-E480 WeakPolarHBondContact OG-CB 3.31Å; S477-E480 PolarHBondContact OG-N 3.38Å
478	C	93.9	Very high	94.7	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	15%	0.146	C	C	.	.	S	Bend	trans	-67.8	-24.9	171.2	51.9	0	0	0	0	114	L292 W295 L299 F372 S459	L292-C478 WeakPolarHBondContact CD2-SG 3.38Å; W295-C478 HydrophobicContact CB-CB 4.42Å; W295-C478 HydrophobicContact CE3-CB 3.93Å; L299-C478 HydrophobicContact CD1-CB 4.18Å; F372-C478 HydrophobicContact CE1-CB 4.21Å; S459-C478 VanDerWaalsContact CB-O 3.32Å; S459-C478 WeakPolarHBondContact CB-O 3.49Å; S459-C478 VanDerWaalsContact OG-C 3.29Å; S459-C478 WeakPolarHBondContact OG-CA 3.36Å; S459-C478 VanDerWaalsContact OG-CB 3.28Å; S459-C478 WeakPolarHBondContact OG-CB 3.22Å; S459-C478 PolarHBondContact OG-O 2.85Å
479	D	97	Very high	94.6	Very high	40 Å²	40	25.9 Å²	25.9	21%	0.214	13%	0.129	C	C	.	.	S	Bend	trans	-116.8	-3.1	-172.4	42.6	-9.8	0	0	0	113.9	D368 M369 F372 S477	D368-D479 CarbonylContact C-O 3.55Å; D368-D479 WeakPolarHBondContact CA-O 3.33Å; M369-D479 HydrophobicContact CB-CB 4Å; M369-D479 HydrophobicContact CG-CB 4.21Å; M369-D479 PolarHBondContact N-O 3.01Å; F372-D479 HydrophobicContact CB-CB 3.78Å; F372-D479 WeakPolarHBondContact CB-OD2 3.42Å; F372-D479 HydrophobicContact CD1-CB 3.61Å; F372-D479 HydrophobicContact CD2-CB 4.02Å; F372-D479 HydrophobicContact CE1-CB 4.16Å; F372-D479 HydrophobicContact CG-CB 3.55Å; S477-D479 WeakPolarHBondContact CB-OD1 3.48Å; S477-D479 PolarHBondContact O-N 3.09Å; S477-D479 PolarHBondContact OG-N 3.35Å; S477-D479 PolarHBondContact OG-OD1 3.01Å
480	E	97.8	Very high	94.3	Very high	24 Å²	24	26.6 Å²	26.6	11%	0.112	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	126.3	-171.8	-165.7	-161.1	110.1	0	0	111.2	H366 I367 D368 Y463 V476 S477 R547	H366-E480 WeakPolarHBondContact NE2-CG 3.36Å; H366-E480 IonicContact NE2-OE1 2.71Å; I367-E480 WeakPolarHBondContact O-CA 3.35Å; D368-E480 HydrophobicContact CB-CG 4.48Å; Y463-E480 PolarHBondContact OH-O 3.21Å; V476-E480 WeakPolarHBondContact CA-O 3.42Å; V476-E480 HydrophobicContact CB-CB 4.39Å; V476-E480 HydrophobicContact CB-CG 4.34Å; V476-E480 WeakPolarHBondContact CB-O 3.45Å; V476-E480 VanDerWaalsContact CB-OE1 3.3Å; V476-E480 WeakPolarHBondContact CB-OE1 3.49Å; V476-E480 WeakPolarHBondContact CG1-OE1 3.44Å; V476-E480 PolarHBondContact N-O 3.29Å; V476-E480 VanDerWaalsContact N-O 3.11Å; S477-E480 PolarHBondContact N-O 2.67Å; S477-E480 WeakPolarHBondContact OG-CB 3.31Å; S477-E480 PolarHBondContact OG-N 3.38Å; E480-R547 IonicContact OE1-CZ 2.67Å; E480-R547 IonicContact OE1-NH1 2.67Å; E480-R547 PolarHBondContact OE1-NH1 2.96Å; E480-R547 IonicContact OE1-NH2 3.78Å; E480-R547 PolarHBondContact OE1-NH2 3.21Å; E480-R547 IonicContact OE2-CZ 3.75Å; E480-R547 IonicContact OE2-NH1 3.79Å; E480-R547 IonicContact OE2-NH2 3.21Å; E480-R547 PolarHBondContact OE2-NH2 2.92Å
481	L	97.7	Very high	93.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.9	175.5	64.9	84.2	0	0	0	112.3	H366 I367 L462 Y463 I466 I473 A483	H366-L481 WeakPolarHBondContact CA-O 3.34Å; I367-L481 HydrophobicContact CB-CD1 4.01Å; I367-L481 HydrophobicContact CB-CG 4.24Å; I367-L481 HydrophobicContact CD1-CD1 4.14Å; I367-L481 HydrophobicContact CG1-CD1 4.16Å; I367-L481 PolarHBondContact N-O 3.14Å; I367-L481 PolarHBondContact O-N 3.06Å; L462-L481 HydrophobicContact CD2-CD2 4.44Å; L462-L481 HydrophobicContact CG-CD2 4.28Å; Y463-L481 HydrophobicContact CD1-CD2 3.84Å; Y463-L481 HydrophobicContact CD2-CD2 4.14Å; Y463-L481 HydrophobicContact CE1-CB 3.79Å; Y463-L481 HydrophobicContact CE1-CD2 3.74Å; Y463-L481 HydrophobicContact CE1-CG 4.43Å; Y463-L481 HydrophobicContact CE2-CD2 4.08Å; Y463-L481 HydrophobicContact CG-CD2 4.07Å; I466-L481 HydrophobicContact CB-CD2 4.4Å; I466-L481 HydrophobicContact CG1-CD2 4.19Å; I466-L481 HydrophobicContact CG2-CD1 4.06Å; I473-L481 HydrophobicContact CG2-CB 4.42Å; I473-L481 HydrophobicContact CG2-CD1 4.5Å; L481-A483 HydrophobicContact CD1-CB 4.15Å
482	Y	97.9	Very high	93	Very high	16 Å²	16	26.2 Å²	26.2	6%	0.063	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	146.3	160.4	-60.1	-90.6	0	0	0	110.1	I364 F365 H366 I473 Q474 V476 K543 R547 L673	I364-Y482 HydrophobicContact CG2-CD1 3.83Å; I364-Y482 HydrophobicContact CG2-CG 4.44Å; F365-Y482 CarbonylContact O-C 3.46Å; F365-Y482 WeakPolarHBondContact O-CA 3.31Å; H366-Y482 HydrophobicContact CB-CD1 3.85Å; H366-Y482 HydrophobicContact CB-CE1 3.92Å; H366-Y482 AromaticContact CD2-CD1 3.72Å; H366-Y482 AromaticContact CD2-CE1 3.33Å; H366-Y482 WeakPolarHBondContact CD2-CE1 3.41Å; H366-Y482 AromaticContact CD2-CZ 3.48Å; H366-Y482 VanDerWaalsContact CD2-CZ 3.48Å; H366-Y482 AromaticContact CG-CE1 3.94Å; I473-Y482 CarbonylContact C-O 3.59Å; I473-Y482 VanDerWaalsContact CA-O 3.31Å; I473-Y482 WeakPolarHBondContact CA-O 3.39Å; Q474-Y482 PolarHBondContact N-O 3.22Å; Q474-Y482 PolarHBondContact O-N 2.79Å; V476-Y482 HydrophobicContact CG2-CD2 3.53Å; V476-Y482 HydrophobicContact CG2-CE2 3.61Å; Y482-K543 HydrophobicContact CD1-CB 4.18Å; Y482-K543 HydrophobicContact CD1-CG 3.95Å; Y482-K543 HydrophobicContact CE1-CB 3.58Å; Y482-K543 HydrophobicContact CE1-CG 3.87Å; Y482-K543 WeakPolarHBondContact CE1-O 3.31Å; Y482-K543 HydrophobicContact CG-CG 4.37Å; Y482-R547 PolarHBondContact OH-NH1 3.1Å; Y482-L673 HydrophobicContact CG-CD2 4.13Å
483	A	96.8	Very high	91.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.9	171.4	0	0	0	0	0	109.4	F365 I466 T470 D472 I473 L481	F365-A483 HydrophobicContact CB-CB 4.35Å; F365-A483 PolarHBondContact N-O 2.93Å; F365-A483 PolarHBondContact O-N 3.07Å; I466-A483 HydrophobicContact CG2-CB 3.92Å; T470-A483 HydrophobicContact CG2-CB 3.8Å; D472-A483 WeakPolarHBondContact O-CA 3.44Å; I473-A483 HydrophobicContact CG1-CB 4.27Å; L481-A483 HydrophobicContact CD1-CB 4.15Å
484	D	95.2	Very high	89.7	Confident	29 Å²	29	35 Å²	35	16%	0.155	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	114.6	169.3	-159.5	-34.4	0	0	0	109.4	T470 D472 T486 L673	T470-D484 WeakPolarHBondContact CB-O 3.29Å; T470-D484 WeakPolarHBondContact CG2-O 3.19Å; T470-D484 PolarHBondContact OG1-O 2.72Å; D472-D484 HydrophobicContact CB-CB 3.79Å; D472-D484 PolarHBondContact O-N 3.37Å; D484-T486 VanDerWaalsContact OD1-CB 3.23Å; D484-T486 WeakPolarHBondContact OD1-CB 3.5Å; D484-T486 PolarHBondContact OD1-N 3.17Å; D484-T486 PolarHBondContact OD1-OG1 2.99Å; D484-L673 HydrophobicContact CB-CD1 3.81Å
485	C	94	Very high	88	Confident	3 Å²	3	36 Å²	36	2%	0.02	18%	0.183	C	C	.	.			trans	-110.8	14	-179.9	-60.1	0	0	0	0	111.8	I363 F365 E487 L488 L489 L518	I363-C485 PolarHBondContact O-N 3.03Å; F365-C485 HydrophobicContact CD1-CB 3.72Å; F365-C485 HydrophobicContact CE1-CB 3.54Å; F365-C485 HydrophobicContact CG-CB 4.38Å; F365-C485 HydrophobicContact CZ-CB 4.03Å; C485-E487 VanDerWaalsContact C-N 3.34Å; C485-E487 PolarHBondContact O-N 3.09Å; C485-L488 PolarHBondContact O-N 2.84Å; C485-L488 VanDerWaalsContact O-N 3.09Å; C485-L489 HydrophobicContact CB-CD1 4.42Å; C485-L489 PolarHBondContact O-N 3.22Å; C485-L518 HydrophobicContact CB-CD2 4.19Å
486	T	93.3	Very high	86.3	Confident	4 Å²	4	41.4 Å²	41.4	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-55	-46.6	-173	-54.5	0	0	0	0	112.2	K360 P361 I363 D484 L488 L489 I490	K360-T486 HydrophobicContact CD-CG2 4.4Å; P361-T486 WeakPolarHBondContact O-CG2 3.42Å; I363-T486 PolarHBondContact N-OG1 3.45Å; D484-T486 VanDerWaalsContact OD1-CB 3.23Å; D484-T486 WeakPolarHBondContact OD1-CB 3.5Å; D484-T486 PolarHBondContact OD1-N 3.17Å; D484-T486 PolarHBondContact OD1-OG1 2.99Å; T486-L488 VanDerWaalsContact C-N 3.27Å; T486-L488 PolarHBondContact O-N 2.82Å; T486-L489 PolarHBondContact O-N 3.24Å; T486-I490 HydrophobicContact CG2-CD1 4.35Å; T486-I490 WeakPolarHBondContact O-CG1 3.39Å; T486-I490 PolarHBondContact O-N 3.09Å
487	E	90.7	Very high	84.8	Confident	125 Å²	125	40.2 Å²	40.2	58%	0.584	20%	0.199	S	C	*	.	H	α-helix	trans	-67.7	-28.8	-178.2	-49	-51.6	85	0	0	113	K360 C485 L489	K360-E487 WeakPolarHBondContact CE-OE1 3.46Å; K360-E487 IonicContact NZ-OE1 3.46Å; K360-E487 PolarHBondContact NZ-OE1 2.8Å; K360-E487 IonicContact NZ-OE2 2.7Å; K360-E487 PolarHBondContact NZ-OE2 3.36Å; C485-E487 VanDerWaalsContact C-N 3.34Å; C485-E487 PolarHBondContact O-N 3.09Å; E487-L489 VanDerWaalsContact C-N 3.29Å
488	L	92.3	Very high	83.3	Confident	20 Å²	20	44.7 Å²	44.7	11%	0.105	22%	0.216	C	C	.	.	H	α-helix	trans	-79.3	-13.4	-178.7	-176.1	57.4	0	0	0	112.5	G317 W320 Y321 F469 C485 T486 L518	G317-L488 WeakPolarHBondContact O-CD1 3.44Å; W320-L488 HydrophobicContact CE3-CD1 4.09Å; W320-L488 HydrophobicContact CE3-CG 4.16Å; W320-L488 HydrophobicContact CZ3-CD1 4.32Å; W320-L488 HydrophobicContact CZ3-CG 4.12Å; Y321-L488 HydrophobicContact CD2-CD1 4.15Å; Y321-L488 WeakPolarHBondContact CD2-O 3.4Å; Y321-L488 HydrophobicContact CG-CD1 4.39Å; F469-L488 HydrophobicContact CB-CD2 4.23Å; F469-L488 HydrophobicContact CD1-CD2 4.31Å; C485-L488 PolarHBondContact O-N 2.84Å; C485-L488 VanDerWaalsContact O-N 3.09Å; T486-L488 VanDerWaalsContact C-N 3.27Å; T486-L488 PolarHBondContact O-N 2.82Å; L488-L518 HydrophobicContact CD2-CD1 4.42Å; L488-L518 HydrophobicContact CD2-CD2 3.73Å; L488-L518 HydrophobicContact CG-CD2 4.16Å
489	L	93.5	Very high	81.6	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-110.2	-6.4	-177.4	-67.1	176.6	0	0	0	114.2	W320 I363 F365 C485 T486 E487 Y491 I512 I513 P515 L518	W320-L489 HydrophobicContact CH2-CD2 3.87Å; W320-L489 HydrophobicContact CZ3-CD2 4.27Å; I363-L489 HydrophobicContact CB-CD1 4.15Å; I363-L489 HydrophobicContact CD1-CB 4.13Å; I363-L489 HydrophobicContact CD1-CD1 3.86Å; I363-L489 HydrophobicContact CG2-CD1 3.79Å; F365-L489 HydrophobicContact CE1-CD1 3.67Å; F365-L489 HydrophobicContact CZ-CD1 3.94Å; C485-L489 HydrophobicContact CB-CD1 4.42Å; C485-L489 PolarHBondContact O-N 3.22Å; T486-L489 PolarHBondContact O-N 3.24Å; E487-L489 VanDerWaalsContact C-N 3.29Å; L489-Y491 PolarHBondContact O-N 2.83Å; L489-I512 CarbonylContact O-C 3.31Å; L489-I512 WeakPolarHBondContact O-CA 3.41Å; L489-I512 WeakPolarHBondContact O-CB 3.14Å; L489-I513 HydrophobicContact CD2-CB 4.15Å; L489-I513 PolarHBondContact O-N 3.18Å; L489-P515 HydrophobicContact CD1-CB 4.07Å; L489-P515 HydrophobicContact CD1-CG 4.13Å; L489-L518 HydrophobicContact CD2-CB 4.09Å; L489-L518 HydrophobicContact CD2-CD2 3.96Å; L489-L518 HydrophobicContact CG-CD2 4.34Å
490	I	88.8	Confident	79.9	Confident	23 Å²	23	49.7 Å²	49.7	12%	0.118	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.3	175.4	-69.4	163.3	0	0	0	108.8	Y321 K360 T486	Y321-I490 PolarHBondContact OH-O 2.7Å; K360-I490 HydrophobicContact CD-CD1 4.08Å; T486-I490 HydrophobicContact CG2-CD1 4.35Å; T486-I490 WeakPolarHBondContact O-CG1 3.39Å; T486-I490 PolarHBondContact O-N 3.09Å
491	Y	84.3	Confident	77.6	Confident	74 Å²	74	56.7 Å²	56.7	29%	0.29	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-46.1	179.3	-177.6	-110.3	0	0	0	112.3	L328 I337 L489 Q511 I513	L328-Y491 HydrophobicContact CB-CE2 3.94Å; L328-Y491 HydrophobicContact CD1-CD2 3.66Å; L328-Y491 HydrophobicContact CD1-CE2 3.53Å; L328-Y491 HydrophobicContact CD1-CG 4.47Å; L328-Y491 HydrophobicContact CG-CE2 4.34Å; I337-Y491 HydrophobicContact CD1-CD1 3.54Å; I337-Y491 HydrophobicContact CD1-CE1 3.49Å; I337-Y491 VanDerWaalsContact CD1-CE1 3.49Å; I337-Y491 HydrophobicContact CD1-CG 4.18Å; I337-Y491 HydrophobicContact CG1-CD1 4.23Å; I337-Y491 HydrophobicContact CG1-CG 4.46Å; L489-Y491 PolarHBondContact O-N 2.83Å; Y491-Q511 PolarHBondContact N-O 3.2Å; Y491-Q511 VanDerWaalsContact N-O 3.08Å; Y491-I513 HydrophobicContact CD2-CG1 4.41Å
492	S	74.1	Confident	75.5	Confident	27 Å²	27	65.4 Å²	65.4	19%	0.189	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.7	177.8	77.6	0	0	0	0	111.8	Q511	S492-Q511 WeakPolarHBondContact OG-CB 3.3Å; S492-Q511 PolarHBondContact OG-OE1 2.91Å
493	N	60.2	Low	73.6	Confident	97 Å²	97	68.5 Å²	68.5	52%	0.519	34%	0.338	S	S	.	.			trans	-113.2	34	-173.5	-86.7	-64	0	0	0	112.3	N495	N493-N495 VanDerWaalsContact C-ND2 3.31Å; N493-N495 PolarHBondContact O-N 2.69Å; N493-N495 PolarHBondContact O-ND2 2.99Å
494	E	57.6	Low	71.8	Confident	145 Å²	145	71.6 Å²	71.6	68%	0.678	36%	0.36	S	S	*	.			trans	-76.6	65.8	-177.8	-62.8	-158	166.2	0	0	113	E496	E494-E496 PolarHBondContact O-N 3.19Å
495	N	59.8	Low	70.5	Confident	43 Å²	43	71.8 Å²	71.8	23%	0.23	36%	0.361	C	S	.	.			trans	-74.6	40.1	-174.7	-66.3	-87.7	0	0	0	113.7	K357 N493 I497 Y510	K357-N495 PolarHBondContact NZ-O 3.24Å; N493-N495 VanDerWaalsContact C-ND2 3.31Å; N493-N495 PolarHBondContact O-N 2.69Å; N493-N495 PolarHBondContact O-ND2 2.99Å; N495-I497 PolarHBondContact O-N 2.94Å; N495-Y510 WeakPolarHBondContact OD1-CE1 3.5Å; N495-Y510 PolarHBondContact OD1-OH 3.11Å
496	E	58.9	Low	69.6	Low	119 Å²	119	73.8 Å²	73.8	56%	0.556	37%	0.368	S	S	*	.			trans	-77.2	115.7	174.2	-68.2	-156.9	122.5	0	0	110.7	E494 K498	E494-E496 PolarHBondContact O-N 3.19Å; E496-K498 HydrophobicContact CB-CD 4.44Å; E496-K498 HydrophobicContact CB-CG 4.43Å; E496-K498 PolarHBondContact O-N 3.24Å; E496-K498 WeakPolarHBondContact OE2-CE 3.36Å; E496-K498 IonicContact OE2-NZ 2.69Å; E496-K498 PolarHBondContact OE2-NZ 2.98Å
497	I	61.8	Low	69	Low	29 Å²	29	74.3 Å²	74.3	15%	0.149	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	118.3	170.2	-69.3	173	0	0	0	107.5	P354 K357 N495 W506 E507 A508 W581	P354-I497 HydrophobicContact CG-CG2 4.42Å; K357-I497 HydrophobicContact CB-CD1 4.11Å; K357-I497 HydrophobicContact CD-CD1 3.89Å; K357-I497 HydrophobicContact CD-CG1 4.44Å; K357-I497 HydrophobicContact CG-CD1 3.63Å; N495-I497 PolarHBondContact O-N 2.94Å; I497-W506 HydrophobicContact CG2-CE3 3.71Å; I497-W506 HydrophobicContact CG2-CZ3 4.37Å; I497-E507 WeakPolarHBondContact CA-O 3.39Å; I497-A508 HydrophobicContact CG1-CB 4.11Å; I497-W581 HydrophobicContact CD1-CH2 4.17Å; I497-W581 HydrophobicContact CD1-CZ2 4.07Å; I497-W581 HydrophobicContact CG1-CH2 4.34Å; I497-W581 HydrophobicContact CG2-CH2 4.28Å
498	K	64.4	Low	68.5	Low	119 Å²	119	68.4 Å²	68.4	52%	0.517	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.5	-177.8	-73.1	168.7	177.3	159.1	0	109.4	E496 E507	E496-K498 HydrophobicContact CB-CD 4.44Å; E496-K498 HydrophobicContact CB-CG 4.43Å; E496-K498 PolarHBondContact O-N 3.24Å; E496-K498 WeakPolarHBondContact OE2-CE 3.36Å; E496-K498 IonicContact OE2-NZ 2.69Å; E496-K498 PolarHBondContact OE2-NZ 2.98Å; K498-E507 PolarHBondContact N-O 3.26Å; K498-E507 PolarHBondContact O-N 3.08Å
499	P	57.9	Low	68.1	Low	70 Å²	70	69.5 Å²	69.5	46%	0.455	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	129.4	168.5	29.7	-31.6	0	0	0	108.4	L501 W506	P499-L501 PolarHBondContact O-N 3.19Å; P499-W506 HydrophobicContact CB-CE3 4.06Å; P499-W506 HydrophobicContact CB-CH2 4.27Å; P499-W506 HydrophobicContact CB-CZ3 3.95Å; P499-W506 HydrophobicContact CG-CZ3 4.15Å
500	K	60.9	Low	67.6	Low	76 Å²	76	70.4 Å²	70.4	33%	0.33	35%	0.354	S	S	.	.			trans	-74.8	110.3	175.9	-123.4	174.9	-171.5	164.9	0	108.5	H502 D503 S504 N505 E507	K500-H502 PolarHBondContact O-N 2.97Å; K500-D503 PolarHBondContact O-N 3.29Å; K500-D503 VanDerWaalsContact O-N 3.07Å; K500-S504 PolarHBondContact O-N 3.27Å; K500-N505 PolarHBondContact N-O 3.12Å; K500-E507 WeakPolarHBondContact CD-OE2 3.32Å; K500-E507 VanDerWaalsContact CE-OE1 3.32Å; K500-E507 WeakPolarHBondContact CE-OE1 3.38Å; K500-E507 WeakPolarHBondContact CE-OE2 3.09Å; K500-E507 IonicContact NZ-OE1 3.06Å; K500-E507 PolarHBondContact NZ-OE1 2.56Å; K500-E507 IonicContact NZ-OE2 3.03Å; K500-E507 PolarHBondContact NZ-OE2 3.18Å
501	L	50.2	Low	67.5	Low	171 Å²	171	71.9 Å²	71.9	90%	0.895	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-20.9	-167.1	-80.9	158.5	0	0	0	115.9	P499	P499-L501 PolarHBondContact O-N 3.19Å
502	H	52.5	Low	67.8	Low	184 Å²	184	68.5 Å²	68.5	85%	0.852	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-31.1	178	-83.5	-94.6	0	0	0	114.9	K500	K500-H502 PolarHBondContact O-N 2.97Å
503	D	59	Low	68.7	Low	80 Å²	80	67.2 Å²	67.2	43%	0.428	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-2.3	-163.2	-68.8	-4.7	0	0	0	114.2	R343 K500 N505	R343-D503 IonicContact NH2-OD2 3.53Å; R343-D503 PolarHBondContact NH2-OD2 2.86Å; K500-D503 PolarHBondContact O-N 3.29Å; K500-D503 VanDerWaalsContact O-N 3.07Å; D503-N505 HydrophobicContact CB-CB 4.41Å; D503-N505 PolarHBondContact O-N 3Å; D503-N505 PolarHBondContact O-ND2 3.18Å; D503-N505 VanDerWaalsContact O-ND2 3.15Å
504	S	59.4	Low	70.2	Confident	66 Å²	66	64 Å²	64	46%	0.462	32%	0.321	S	S	.	.			trans	58.1	-2.8	-169.5	-54.7	0	0	0	0	116.4	N351 K500	N351-S504 WeakPolarHBondContact OD1-CB 3.46Å; K500-S504 PolarHBondContact O-N 3.27Å
505	N	67.8	Low	72	Confident	32 Å²	32	57.1 Å²	57.1	17%	0.171	29%	0.289	C	S	.	.			trans	-80	147.6	178.1	-73.7	-69.4	0	0	0	111.9	R343 K500 D503	R343-N505 HydrophobicContact CG-CB 4.24Å; K500-N505 PolarHBondContact N-O 3.12Å; D503-N505 HydrophobicContact CB-CB 4.41Å; D503-N505 PolarHBondContact O-N 3Å; D503-N505 PolarHBondContact O-ND2 3.18Å; D503-N505 VanDerWaalsContact O-ND2 3.15Å
506	W	75.2	Confident	73.7	Confident	46 Å²	46	56.8 Å²	56.8	17%	0.174	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	136.2	174.7	-62.6	88.2	0	0	0	111	R343 Y344 S352 Y353 P354 I497 P499 W581	R343-W506 WeakPolarHBondContact CA-O 3.32Å; Y344-W506 PolarHBondContact N-O 3.48Å; S352-W506 VanDerWaalsContact O-CD1 3.29Å; S352-W506 PolarHBondContact O-NE1 3.01Å; S352-W506 VanDerWaalsContact O-NE1 3.15Å; Y353-W506 AromaticContact CD2-CH2 3.44Å; Y353-W506 HydrophobicContact CD2-CH2 3.44Å; Y353-W506 VanDerWaalsContact CD2-CH2 3.44Å; Y353-W506 AromaticContact CD2-CZ2 3.51Å; Y353-W506 HydrophobicContact CD2-CZ2 3.51Å; Y353-W506 HydrophobicContact CD2-CZ3 4.01Å; Y353-W506 HydrophobicContact CE2-CE3 4.46Å; Y353-W506 AromaticContact CE2-CH2 3.65Å; Y353-W506 HydrophobicContact CE2-CH2 3.65Å; Y353-W506 HydrophobicContact CE2-CZ2 4.18Å; Y353-W506 AromaticContact CE2-CZ3 3.81Å; Y353-W506 HydrophobicContact CE2-CZ3 3.81Å; Y353-W506 HydrophobicContact CG-CZ2 4.35Å; P354-W506 HydrophobicContact CG-CB 4.12Å; P354-W506 HydrophobicContact CG-CD2 4.34Å; P354-W506 HydrophobicContact CG-CG 4.07Å; I497-W506 HydrophobicContact CG2-CE3 3.71Å; I497-W506 HydrophobicContact CG2-CZ3 4.37Å; P499-W506 HydrophobicContact CB-CE3 4.06Å; P499-W506 HydrophobicContact CB-CH2 4.27Å; P499-W506 HydrophobicContact CB-CZ3 3.95Å; P499-W506 HydrophobicContact CG-CZ3 4.15Å; W506-W581 HydrophobicContact CB-CH2 4.31Å
507	E	79.2	Confident	75.4	Confident	14 Å²	14	53 Å²	53	7%	0.065	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.9	179.5	-149.9	168.4	98.8	0	0	111.6	H341 A342 R343 I497 K498 K500	H341-E507 HydrophobicContact CB-CG 4.43Å; H341-E507 IonicContact CG-OE1 3.73Å; H341-E507 IonicContact ND1-OE1 3.93Å; H341-E507 PolarHBondContact ND1-OE1 2.99Å; A342-E507 CarbonylContact O-C 3.48Å; A342-E507 VanDerWaalsContact O-CA 3.29Å; A342-E507 WeakPolarHBondContact O-CA 3.1Å; A342-E507 WeakPolarHBondContact O-CG 3.21Å; R343-E507 IonicContact NE-OE2 3.59Å; R343-E507 IonicContact NH2-OE2 3.76Å; I497-E507 WeakPolarHBondContact CA-O 3.39Å; K498-E507 PolarHBondContact N-O 3.26Å; K498-E507 PolarHBondContact O-N 3.08Å; K500-E507 WeakPolarHBondContact CD-OE2 3.32Å; K500-E507 VanDerWaalsContact CE-OE1 3.32Å; K500-E507 WeakPolarHBondContact CE-OE1 3.38Å; K500-E507 WeakPolarHBondContact CE-OE2 3.09Å; K500-E507 IonicContact NZ-OE1 3.06Å; K500-E507 PolarHBondContact NZ-OE1 2.56Å; K500-E507 IonicContact NZ-OE2 3.03Å; K500-E507 PolarHBondContact NZ-OE2 3.18Å
508	A	81	Confident	77	Confident	2 Å²	2	51.6 Å²	51.6	2%	0.017	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138.5	169.4	0	0	0	0	0	109.8	A342 P358 I497 Y510	A342-A508 PolarHBondContact N-O 3.38Å; A342-A508 PolarHBondContact O-N 2.7Å; P358-A508 HydrophobicContact CG-CB 3.84Å; I497-A508 HydrophobicContact CG1-CB 4.11Å; A508-Y510 HydrophobicContact CB-CE2 4.36Å
509	T	82.8	Confident	78.6	Confident	42 Å²	42	45.9 Å²	45.9	26%	0.258	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	142.1	179.6	-80.7	0	0	0	0	110.4	E339	E339-T509 VanDerWaalsContact CD-CG2 3.49Å; E339-T509 HydrophobicContact CG-CG2 3.52Å; E339-T509 WeakPolarHBondContact OE1-CG2 3.36Å; E339-T509 PolarHBondContact OE1-OG1 2.69Å
510	Y	84.4	Confident	80.5	Confident	19 Å²	19	42.7 Å²	42.7	8%	0.075	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.3	169.2	-75.5	-111.6	0	0	0	109.5	L340 P358 K360 N495 A508 W583	L340-Y510 PolarHBondContact N-O 2.83Å; L340-Y510 PolarHBondContact O-N 3.12Å; P358-Y510 HydrophobicContact CG-CE2 4Å; K360-Y510 HydrophobicContact CB-CE1 4.09Å; N495-Y510 WeakPolarHBondContact OD1-CE1 3.5Å; N495-Y510 PolarHBondContact OD1-OH 3.11Å; A508-Y510 HydrophobicContact CB-CE2 4.36Å; Y510-W583 HydrophobicContact CD1-CH2 4.42Å; Y510-W583 AromaticContact CD2-CH2 3.31Å; Y510-W583 HydrophobicContact CD2-CH2 3.31Å; Y510-W583 HydrophobicContact CD2-CZ2 4.46Å; Y510-W583 AromaticContact CD2-CZ3 3.76Å; Y510-W583 HydrophobicContact CD2-CZ3 3.76Å; Y510-W583 AromaticContact CE2-CH2 3.54Å; Y510-W583 HydrophobicContact CE2-CH2 3.54Å; Y510-W583 HydrophobicContact CE2-CZ2 4.33Å; Y510-W583 HydrophobicContact CE2-CZ3 4.39Å; Y510-W583 AromaticContact CG-CH2 3.78Å; Y510-W583 HydrophobicContact CG-CH2 3.78Å; Y510-W583 HydrophobicContact CG-CZ3 4.14Å
511	Q	87.3	Confident	82.2	Confident	55 Å²	55	42.3 Å²	42.3	26%	0.257	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.4	174.1	-68.6	175	-16.5	0	0	110.3	I337 Y491 S492	I337-Q511 HydrophobicContact CG2-CB 3.87Å; I337-Q511 HydrophobicContact CG2-CG 4.12Å; Y491-Q511 PolarHBondContact N-O 3.2Å; Y491-Q511 VanDerWaalsContact N-O 3.08Å; S492-Q511 WeakPolarHBondContact OG-CB 3.3Å; S492-Q511 PolarHBondContact OG-OE1 2.91Å
512	I	90.2	Very high	84.5	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149.5	173.7	61.2	164.5	0	0	0	110.7	I337 I338 L340 I363 L489 P515 W560	I337-I512 CarbonylContact C-O 3.58Å; I337-I512 WeakPolarHBondContact CA-O 3.49Å; I338-I512 HydrophobicContact CB-CG1 4.08Å; I338-I512 PolarHBondContact N-O 3.25Å; I338-I512 PolarHBondContact O-N 2.84Å; L340-I512 HydrophobicContact CD1-CD1 3.64Å; L340-I512 HydrophobicContact CD1-CG1 4.11Å; L340-I512 HydrophobicContact CD1-CG2 4.42Å; L340-I512 HydrophobicContact CG-CD1 4.18Å; L340-I512 HydrophobicContact CG-CG1 4.31Å; I363-I512 HydrophobicContact CD1-CB 4.43Å; I363-I512 HydrophobicContact CD1-CD1 3.6Å; I363-I512 HydrophobicContact CD1-CG2 4.22Å; L489-I512 CarbonylContact O-C 3.31Å; L489-I512 WeakPolarHBondContact O-CA 3.41Å; L489-I512 WeakPolarHBondContact O-CB 3.14Å; I512-P515 HydrophobicContact CD1-CG 4.19Å; I512-W560 HydrophobicContact CD1-CH2 4.47Å; I512-W560 HydrophobicContact CD1-CZ2 4.27Å
513	I	91.9	Very high	86.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	134.1	162.6	-52.1	168.6	0	0	0	107.1	W320 Y321 I324 L328 L489 Y491 P515 I517	W320-I513 HydrophobicContact CH2-CB 4.37Å; W320-I513 HydrophobicContact CH2-CD1 4.07Å; W320-I513 HydrophobicContact CH2-CG2 3.81Å; W320-I513 HydrophobicContact CZ2-CG2 4.33Å; W320-I513 HydrophobicContact CZ3-CD1 4.11Å; Y321-I513 HydrophobicContact CD2-CD1 4.05Å; Y321-I513 HydrophobicContact CE2-CD1 3.86Å; I324-I513 HydrophobicContact CG1-CG2 4.13Å; I324-I513 HydrophobicContact CG2-CD1 3.75Å; L328-I513 HydrophobicContact CD1-CG1 4.21Å; L489-I513 HydrophobicContact CD2-CB 4.15Å; L489-I513 PolarHBondContact O-N 3.18Å; Y491-I513 HydrophobicContact CD2-CG1 4.41Å; I513-P515 WeakPolarHBondContact O-CD 3.4Å; I513-P515 VanDerWaalsContact O-N 3.15Å; I513-I517 HydrophobicContact CG2-CD1 4.3Å
514	N	92	Very high	88.5	Confident	29 Å²	29	27.6 Å²	27.6	16%	0.155	14%	0.137	C	C	.	.			trans	-55.1	118	-178.7	-178.4	-22.6	0	0	0	110.8	K336 I338 L516 I517	K336-N514 WeakPolarHBondContact O-CB 3.48Å; K336-N514 PolarHBondContact O-N 3.06Å; I338-N514 HydrophobicContact CD1-CB 3.94Å; I338-N514 HydrophobicContact CG1-CB 3.94Å; N514-L516 PolarHBondContact O-N 2.85Å; N514-L516 VanDerWaalsContact OD1-CB 3.22Å; N514-L516 WeakPolarHBondContact OD1-CB 3.24Å; N514-L516 VanDerWaalsContact OD1-CG 3.23Å; N514-L516 WeakPolarHBondContact OD1-CG 3.29Å; N514-L516 PolarHBondContact OD1-N 2.61Å; N514-I517 HydrophobicContact CB-CD1 3.88Å; N514-I517 HydrophobicContact CB-CG1 4.06Å; N514-I517 WeakPolarHBondContact O-CB 3.41Å; N514-I517 PolarHBondContact O-N 2.99Å
515	P	94.8	Very high	90.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.2	-25.1	-175.4	-24.8	33.3	0	0	0	113.8	I363 F365 L489 I512 I513 I517 G519 F539	I363-P515 HydrophobicContact CD1-CG 4.29Å; I363-P515 HydrophobicContact CG2-CB 4.18Å; I363-P515 HydrophobicContact CG2-CG 3.97Å; F365-P515 HydrophobicContact CZ-CB 4.47Å; L489-P515 HydrophobicContact CD1-CB 4.07Å; L489-P515 HydrophobicContact CD1-CG 4.13Å; I512-P515 HydrophobicContact CD1-CG 4.19Å; I513-P515 WeakPolarHBondContact O-CD 3.4Å; I513-P515 VanDerWaalsContact O-N 3.15Å; P515-I517 PolarHBondContact O-N 3.33Å; P515-G519 PolarHBondContact O-N 2.84Å; P515-F539 HydrophobicContact CB-CB 4.27Å; P515-F539 HydrophobicContact CB-CD1 4.06Å; P515-F539 HydrophobicContact CB-CD2 4.45Å; P515-F539 HydrophobicContact CB-CG 3.98Å
516	L	95.6	Very high	91.7	Very high	37 Å²	37	24.7 Å²	24.7	19%	0.194	12%	0.117	C	C	.	.	H	α-helix	trans	-64.6	-23.8	177.4	-54.3	-176.1	0	0	0	112.7	V200 N514 G520 F539 Q558 W560	V200-L516 HydrophobicContact CG2-CD1 4.32Å; N514-L516 PolarHBondContact O-N 2.85Å; N514-L516 VanDerWaalsContact OD1-CB 3.22Å; N514-L516 WeakPolarHBondContact OD1-CB 3.24Å; N514-L516 VanDerWaalsContact OD1-CG 3.23Å; N514-L516 WeakPolarHBondContact OD1-CG 3.29Å; N514-L516 PolarHBondContact OD1-N 2.61Å; L516-G520 PolarHBondContact O-N 3.2Å; L516-F539 HydrophobicContact CD2-CD2 3.82Å; L516-F539 HydrophobicContact CD2-CE2 3.44Å; L516-F539 VanDerWaalsContact CD2-CE2 3.44Å; L516-F539 HydrophobicContact CD2-CZ 4.36Å; L516-Q558 HydrophobicContact CD2-CG 4.3Å; L516-Q558 PolarHBondContact O-NE2 3.31Å; L516-W560 HydrophobicContact CD2-CB 4.31Å
517	I	95.2	Very high	92.7	Very high	38 Å²	38	26.6 Å²	26.6	20%	0.195	12%	0.123	C	C	.	.	H	α-helix	trans	-73.6	-53.5	178.8	-58.5	173.8	0	0	0	110	W320 I324 K336 I513 N514 P515 G519 G520 Y521	W320-I517 HydrophobicContact CZ2-CB 4.42Å; W320-I517 HydrophobicContact CZ2-CG2 4.02Å; I324-I517 HydrophobicContact CD1-CG2 4.14Å; K336-I517 HydrophobicContact CB-CD1 3.92Å; K336-I517 HydrophobicContact CG-CD1 3.84Å; I513-I517 HydrophobicContact CG2-CD1 4.3Å; N514-I517 HydrophobicContact CB-CD1 3.88Å; N514-I517 HydrophobicContact CB-CG1 4.06Å; N514-I517 WeakPolarHBondContact O-CB 3.41Å; N514-I517 PolarHBondContact O-N 2.99Å; P515-I517 PolarHBondContact O-N 3.33Å; I517-G519 VanDerWaalsContact C-N 3.27Å; I517-G519 PolarHBondContact O-N 3.11Å; I517-G520 PolarHBondContact O-N 2.83Å; I517-Y521 PolarHBondContact O-N 2.62Å
518	L	96	Very high	93.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.9	-38.5	174.3	-179.1	57.4	0	0	0	110.9	W320 F365 F469 C485 L488 L489 G520 Y521 I522	W320-L518 HydrophobicContact CD2-CD1 3.75Å; W320-L518 HydrophobicContact CE3-CD1 4.02Å; W320-L518 HydrophobicContact CG-CD1 4.18Å; W320-L518 HydrophobicContact CH2-CB 3.78Å; W320-L518 HydrophobicContact CH2-CD1 4.43Å; W320-L518 HydrophobicContact CH2-CG 4.46Å; W320-L518 HydrophobicContact CZ2-CB 3.6Å; W320-L518 HydrophobicContact CZ2-CD1 4.19Å; W320-L518 HydrophobicContact CZ2-CG 4.41Å; W320-L518 HydrophobicContact CZ3-CB 4.41Å; W320-L518 HydrophobicContact CZ3-CD1 4.35Å; W320-L518 HydrophobicContact CZ3-CD2 4.41Å; F365-L518 HydrophobicContact CE2-CB 4.31Å; F365-L518 HydrophobicContact CE2-CD2 3.97Å; F365-L518 HydrophobicContact CE2-CG 3.93Å; F365-L518 HydrophobicContact CZ-CB 4.17Å; F365-L518 HydrophobicContact CZ-CD2 3.75Å; F365-L518 HydrophobicContact CZ-CG 4.05Å; F469-L518 HydrophobicContact CD1-CD1 3.91Å; F469-L518 HydrophobicContact CE1-CD1 4.01Å; C485-L518 HydrophobicContact CB-CD2 4.19Å; L488-L518 HydrophobicContact CD2-CD1 4.42Å; L488-L518 HydrophobicContact CD2-CD2 3.73Å; L488-L518 HydrophobicContact CG-CD2 4.16Å; L489-L518 HydrophobicContact CD2-CB 4.09Å; L489-L518 HydrophobicContact CD2-CD2 3.96Å; L489-L518 HydrophobicContact CG-CD2 4.34Å; L518-G520 PolarHBondContact O-N 3.29Å; L518-Y521 PolarHBondContact O-N 3.08Å; L518-I522 HydrophobicContact CD1-CD1 3.82Å; L518-I522 HydrophobicContact CD1-CG1 4.02Å; L518-I522 HydrophobicContact CD2-CD1 4.46Å; L518-I522 HydrophobicContact CG-CD1 3.79Å; L518-I522 HydrophobicContact CG-CG1 4.38Å; L518-I522 WeakPolarHBondContact O-CB 3.3Å; L518-I522 VanDerWaalsContact O-CG1 3.29Å; L518-I522 WeakPolarHBondContact O-CG1 3.45Å; L518-I522 PolarHBondContact O-N 3.21Å
519	G	97.2	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.4	-42.1	173.6	0	0	0	0	0	114	P515 I517 R523 Q558	P515-G519 PolarHBondContact O-N 2.84Å; I517-G519 VanDerWaalsContact C-N 3.27Å; I517-G519 PolarHBondContact O-N 3.11Å; G519-R523 WeakPolarHBondContact O-CB 3.16Å; G519-R523 VanDerWaalsContact O-CG 3.25Å; G519-R523 WeakPolarHBondContact O-CG 3.21Å; G519-R523 PolarHBondContact O-N 2.95Å; G519-Q558 PolarHBondContact O-OE1 2.99Å
520	G	97.6	Very high	94.9	Very high	3 Å²	3	31 Å²	31	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-57.4	174.3	0	0	0	0	0	110.8	L516 I517 L518 I522 R523 E524 Q558	L516-G520 PolarHBondContact O-N 3.2Å; I517-G520 PolarHBondContact O-N 2.83Å; L518-G520 PolarHBondContact O-N 3.29Å; G520-I522 VanDerWaalsContact C-N 3.33Å; G520-I522 PolarHBondContact O-N 3.29Å; G520-R523 PolarHBondContact O-N 3.07Å; G520-E524 WeakPolarHBondContact O-CG 3.3Å; G520-E524 PolarHBondContact O-N 3.09Å; G520-Q558 VanDerWaalsContact N-OE1 3.15Å
521	Y	97.1	Very high	95.3	Very high	68 Å²	68	32 Å²	32	27%	0.267	16%	0.161	S	C	.	.	H	α-helix	trans	-53.2	-45.5	179.3	-178.3	-105.6	0	0	0	113	W320 F469 I517 L518 R523 E524 L525	W320-Y521 HydrophobicContact CB-CE1 4.31Å; W320-Y521 AromaticContact CD1-CD1 3.5Å; W320-Y521 VanDerWaalsContact CD1-CD1 3.5Å; W320-Y521 AromaticContact CD1-CE1 3.9Å; W320-Y521 AromaticContact CD1-CG 3.68Å; W320-Y521 HydrophobicContact CG-CD1 4.21Å; W320-Y521 HydrophobicContact CG-CE1 4.39Å; F469-Y521 AromaticContact CE1-CD1 3.83Å; F469-Y521 HydrophobicContact CE1-CD1 3.83Å; F469-Y521 AromaticContact CE1-CE1 3.67Å; F469-Y521 HydrophobicContact CE1-CE1 3.67Å; F469-Y521 AromaticContact CZ-CD1 3.93Å; F469-Y521 HydrophobicContact CZ-CD1 3.93Å; F469-Y521 AromaticContact CZ-CE1 3.65Å; F469-Y521 HydrophobicContact CZ-CE1 3.65Å; I517-Y521 PolarHBondContact O-N 2.62Å; L518-Y521 PolarHBondContact O-N 3.08Å; Y521-R523 PolarHBondContact O-N 2.96Å; Y521-E524 PolarHBondContact O-N 3.34Å; Y521-L525 WeakPolarHBondContact O-CB 3.46Å; Y521-L525 PolarHBondContact O-N 2.93Å
522	I	97.8	Very high	95.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-64.2	-40.1	176.6	-70.4	173.7	0	0	0	111.7	F365 I367 I466 F469 L518 G520 V526 I537	F365-I522 HydrophobicContact CD2-CD1 4.41Å; F365-I522 HydrophobicContact CE2-CD1 4.21Å; I367-I522 HydrophobicContact CD1-CG2 4.11Å; I466-I522 HydrophobicContact CD1-CG2 3.44Å; I466-I522 VanDerWaalsContact CD1-CG2 3.44Å; F469-I522 HydrophobicContact CD1-CD1 4.34Å; F469-I522 HydrophobicContact CD1-CG1 4.38Å; F469-I522 HydrophobicContact CD2-CD1 4.41Å; F469-I522 HydrophobicContact CD2-CG1 4.38Å; F469-I522 HydrophobicContact CE1-CG1 4.08Å; F469-I522 HydrophobicContact CE2-CG1 4.08Å; F469-I522 HydrophobicContact CG-CD1 4.27Å; F469-I522 HydrophobicContact CZ-CG1 3.91Å; L518-I522 HydrophobicContact CD1-CD1 3.82Å; L518-I522 HydrophobicContact CD1-CG1 4.02Å; L518-I522 HydrophobicContact CD2-CD1 4.46Å; L518-I522 HydrophobicContact CG-CD1 3.79Å; L518-I522 HydrophobicContact CG-CG1 4.38Å; L518-I522 WeakPolarHBondContact O-CB 3.3Å; L518-I522 VanDerWaalsContact O-CG1 3.29Å; L518-I522 WeakPolarHBondContact O-CG1 3.45Å; L518-I522 PolarHBondContact O-N 3.21Å; G520-I522 VanDerWaalsContact C-N 3.33Å; G520-I522 PolarHBondContact O-N 3.29Å; I522-V526 HydrophobicContact CG2-CG2 4.24Å; I522-V526 VanDerWaalsContact O-CB 3.3Å; I522-V526 WeakPolarHBondContact O-CB 3.19Å; I522-V526 WeakPolarHBondContact O-CG2 3.32Å; I522-V526 PolarHBondContact O-N 3.33Å; I522-I537 HydrophobicContact CB-CD1 4.12Å; I522-I537 HydrophobicContact CG2-CD1 3.74Å
523	R	98.3	Very high	95.9	Very high	44 Å²	44	31.6 Å²	31.6	17%	0.166	17%	0.172	C	C	.	.	H	α-helix	trans	-67.1	-37.1	179.2	-77.1	170.3	56.8	-123.8	-11.1	112.5	G519 G520 Y521 R527 A535 I537 N556 G557	G519-R523 WeakPolarHBondContact O-CB 3.16Å; G519-R523 VanDerWaalsContact O-CG 3.25Å; G519-R523 WeakPolarHBondContact O-CG 3.21Å; G519-R523 PolarHBondContact O-N 2.95Å; G520-R523 PolarHBondContact O-N 3.07Å; Y521-R523 PolarHBondContact O-N 2.96Å; R523-R527 WeakPolarHBondContact O-CB 3.4Å; R523-R527 PolarHBondContact O-N 3.04Å; R523-A535 PolarHBondContact NE-O 3.05Å; R523-A535 VanDerWaalsContact NE-O 3.15Å; R523-I537 HydrophobicContact CG-CD1 3.68Å; R523-I537 HydrophobicContact CG-CG1 3.77Å; R523-N556 VanDerWaalsContact NH2-C 3.31Å; R523-N556 PolarHBondContact NH2-O 3.03Å; R523-N556 PolarHBondContact NH2-OD1 2.7Å; R523-G557 PolarHBondContact NE-O 3.14Å
524	E	97.6	Very high	96.1	Very high	80 Å²	80	33.1 Å²	33.1	37%	0.374	18%	0.182	S	C	.	.	H	α-helix	trans	-69.2	-50.1	175.1	-62.3	-156.6	106.5	0	0	111.3	G520 Y521 V526 R527 D528	G520-E524 WeakPolarHBondContact O-CG 3.3Å; G520-E524 PolarHBondContact O-N 3.09Å; Y521-E524 PolarHBondContact O-N 3.34Å; E524-V526 VanDerWaalsContact C-N 3.29Å; E524-V526 PolarHBondContact O-N 2.92Å; E524-R527 WeakPolarHBondContact O-CB 3.28Å; E524-R527 PolarHBondContact O-N 3.29Å; E524-R527 VanDerWaalsContact O-N 3.1Å; E524-R527 IonicContact OE1-CZ 3.64Å; E524-R527 IonicContact OE1-NH1 3.63Å; E524-R527 PolarHBondContact OE1-NH1 3.47Å; E524-R527 IonicContact OE1-NH2 2.69Å; E524-R527 PolarHBondContact OE1-NH2 3.09Å; E524-D528 WeakPolarHBondContact O-CB 3.49Å; E524-D528 PolarHBondContact O-N 3.34Å
525	L	97.2	Very high	96.4	Very high	37 Å²	37	31.8 Å²	31.8	19%	0.194	18%	0.175	C	C	.	.	H	α-helix	trans	-55.9	-43.5	175.1	-179.2	65.4	0	0	0	112	L316 T465 F469 Y521 D528 I529	L316-L525 HydrophobicContact CD1-CD2 3.71Å; T465-L525 HydrophobicContact CG2-CD2 3.6Å; T465-L525 HydrophobicContact CG2-CG 4.1Å; F469-L525 HydrophobicContact CE2-CD2 3.79Å; F469-L525 HydrophobicContact CZ-CD2 3.72Å; Y521-L525 WeakPolarHBondContact O-CB 3.46Å; Y521-L525 PolarHBondContact O-N 2.93Å; L525-D528 PolarHBondContact O-N 3.08Å; L525-I529 HydrophobicContact CD1-CG2 3.89Å; L525-I529 HydrophobicContact CG-CG2 4.41Å; L525-I529 VanDerWaalsContact O-CG1 3.3Å; L525-I529 WeakPolarHBondContact O-CG1 3.5Å; L525-I529 WeakPolarHBondContact O-CG2 3.41Å; L525-I529 PolarHBondContact O-N 3.05Å
526	V	96.9	Very high	96.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-64.9	-43.6	176.3	167.5	0	0	0	0	111.6	M369 L462 I466 I522 E524 D528 T530 A535	M369-V526 HydrophobicContact CE-CG1 3.83Å; M369-V526 HydrophobicContact SD-CG1 3.78Å; L462-V526 HydrophobicContact CD1-CG1 4.14Å; L462-V526 HydrophobicContact CD1-CG2 3.84Å; I466-V526 HydrophobicContact CD1-CG2 4.36Å; I522-V526 HydrophobicContact CG2-CG2 4.24Å; I522-V526 VanDerWaalsContact O-CB 3.3Å; I522-V526 WeakPolarHBondContact O-CB 3.19Å; I522-V526 WeakPolarHBondContact O-CG2 3.32Å; I522-V526 PolarHBondContact O-N 3.33Å; E524-V526 VanDerWaalsContact C-N 3.29Å; E524-V526 PolarHBondContact O-N 2.92Å; V526-D528 VanDerWaalsContact C-N 3.27Å; V526-D528 PolarHBondContact O-N 2.9Å; V526-T530 HydrophobicContact CG1-CG2 4.34Å; V526-T530 VanDerWaalsContact O-CB 3.28Å; V526-T530 WeakPolarHBondContact O-CB 3.42Å; V526-T530 WeakPolarHBondContact O-CG2 3.28Å; V526-T530 PolarHBondContact O-N 3.19Å; V526-T530 PolarHBondContact O-OG1 2.91Å; V526-A535 HydrophobicContact CG1-CB 4.05Å
527	R	97.2	Very high	96.7	Very high	85 Å²	85	30 Å²	30	32%	0.321	17%	0.166	S	C	.	.	H	α-helix	trans	-55.8	-45.6	173.9	174.9	-165.6	67.8	-143.9	-10.4	110.6	R523 E524 T530 G531 G532	R523-R527 WeakPolarHBondContact O-CB 3.4Å; R523-R527 PolarHBondContact O-N 3.04Å; E524-R527 WeakPolarHBondContact O-CB 3.28Å; E524-R527 PolarHBondContact O-N 3.29Å; E524-R527 VanDerWaalsContact O-N 3.1Å; E524-R527 IonicContact OE1-CZ 3.64Å; E524-R527 IonicContact OE1-NH1 3.63Å; E524-R527 PolarHBondContact OE1-NH1 3.47Å; E524-R527 IonicContact OE1-NH2 2.69Å; E524-R527 PolarHBondContact OE1-NH2 3.09Å; R527-T530 PolarHBondContact O-OG1 2.78Å; R527-G531 PolarHBondContact O-N 2.79Å; R527-G532 PolarHBondContact O-N 2.97Å
528	D	97.1	Very high	96.9	Very high	95 Å²	95	28.2 Å²	28.2	51%	0.508	16%	0.156	S	C	.	.	H	α-helix	trans	-77	-49.9	-169	-60.5	-15.7	0	0	0	111.5	E524 L525 V526 T530 G531	E524-D528 WeakPolarHBondContact O-CB 3.49Å; E524-D528 PolarHBondContact O-N 3.34Å; L525-D528 PolarHBondContact O-N 3.08Å; V526-D528 VanDerWaalsContact C-N 3.27Å; V526-D528 PolarHBondContact O-N 2.9Å; D528-T530 VanDerWaalsContact C-N 3.27Å; D528-T530 PolarHBondContact O-N 3.05Å; D528-G531 PolarHBondContact O-N 3.33Å; D528-G531 VanDerWaalsContact O-N 3.09Å
529	I	96.1	Very high	97	Very high	57 Å²	57	28.2 Å²	28.2	29%	0.292	16%	0.156	S	C	.	.	H	α-helix	trans	-63.9	-31.6	177.5	70.8	-171.4	0	0	0	112.9	L461 T465 L525 G531	L461-I529 HydrophobicContact CD1-CD1 4.19Å; L461-I529 HydrophobicContact CD2-CB 4.22Å; L461-I529 HydrophobicContact CD2-CD1 4.46Å; L461-I529 HydrophobicContact CD2-CG1 4.02Å; L461-I529 WeakPolarHBondContact CD2-O 3.28Å; L461-I529 HydrophobicContact CG-CD1 4Å; L461-I529 HydrophobicContact CG-CG1 4.11Å; T465-I529 HydrophobicContact CG2-CD1 3.71Å; T465-I529 WeakPolarHBondContact OG1-CD1 3.4Å; L525-I529 HydrophobicContact CD1-CG2 3.89Å; L525-I529 HydrophobicContact CG-CG2 4.41Å; L525-I529 VanDerWaalsContact O-CG1 3.3Å; L525-I529 WeakPolarHBondContact O-CG1 3.5Å; L525-I529 WeakPolarHBondContact O-CG2 3.41Å; L525-I529 PolarHBondContact O-N 3.05Å; I529-G531 VanDerWaalsContact C-N 3.25Å; I529-G531 PolarHBondContact O-N 2.79Å
530	T	95.5	Very high	96.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.6	179.8	66.3	0	0	0	0	112.6	R379 V458 L461 V526 R527 D528 C533	R379-T530 WeakPolarHBondContact CD-O 3.41Å; R379-T530 PolarHBondContact NE-O 3.38Å; R379-T530 PolarHBondContact NH2-O 2.96Å; V458-T530 HydrophobicContact CG1-CG2 3.77Å; L461-T530 HydrophobicContact CD2-CG2 4.4Å; V526-T530 HydrophobicContact CG1-CG2 4.34Å; V526-T530 VanDerWaalsContact O-CB 3.28Å; V526-T530 WeakPolarHBondContact O-CB 3.42Å; V526-T530 WeakPolarHBondContact O-CG2 3.28Å; V526-T530 PolarHBondContact O-N 3.19Å; V526-T530 PolarHBondContact O-OG1 2.91Å; R527-T530 PolarHBondContact O-OG1 2.78Å; D528-T530 VanDerWaalsContact C-N 3.27Å; D528-T530 PolarHBondContact O-N 3.05Å; T530-C533 WeakPolarHBondContact OG1-CA 3.37Å; T530-C533 WeakPolarHBondContact OG1-CB 3.43Å; T530-C533 PolarHBondContact OG1-N 2.98Å; T530-C533 VanDerWaalsContact OG1-N 3.08Å; T530-C533 PolarHBondContact OG1-O 3.02Å
531	G	92.5	Very high	96.7	Very high	39 Å²	39	28.2 Å²	28.2	40%	0.402	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	52.1	-177.9	0	0	0	0	0	112.5	R527 D528 I529	R527-G531 PolarHBondContact O-N 2.79Å; D528-G531 PolarHBondContact O-N 3.33Å; D528-G531 VanDerWaalsContact O-N 3.09Å; I529-G531 VanDerWaalsContact C-N 3.25Å; I529-G531 PolarHBondContact O-N 2.79Å
532	G	93.3	Very high	96.5	Very high	49 Å²	49	25.8 Å²	25.8	51%	0.505	15%	0.149	S	C	.	.	S	Bend	trans	104.1	0.4	171.6	0	0	0	0	0	116.7	R527 T534	R527-G532 PolarHBondContact O-N 2.97Å; G532-T534 PolarHBondContact O-N 3.23Å
533	C	96.6	Very high	96.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	15%	0.153	C	C	.	.			trans	-81.6	112.6	-179.7	-52.5	0	0	0	0	110.9	M369 T530	M369-C533 HydrophobicContact CE-CB 3.59Å; M369-C533 WeakPolarHBondContact CE-O 3.36Å; T530-C533 WeakPolarHBondContact OG1-CA 3.37Å; T530-C533 WeakPolarHBondContact OG1-CB 3.43Å; T530-C533 PolarHBondContact OG1-N 2.98Å; T530-C533 VanDerWaalsContact OG1-N 3.08Å; T530-C533 PolarHBondContact OG1-O 3.02Å
534	T	97	Very high	96.3	Very high	32 Å²	32	25 Å²	25	20%	0.196	15%	0.147	C	C	.	.			trans	-77.7	154.1	-179.8	49.1	0	0	0	0	113	D370 G532 N556	D370-T534 PolarHBondContact N-O 2.96Å; G532-T534 PolarHBondContact O-N 3.23Å; T534-N556 HydrophobicContact CG2-CB 4.24Å
535	A	98.1	Very high	96.2	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.2	173.3	0	0	0	0	0	110.4	I367 M369 R523 V526	I367-A535 HydrophobicContact CG2-CB 4.39Å; M369-A535 HydrophobicContact SD-CB 3.8Å; R523-A535 PolarHBondContact NE-O 3.05Å; R523-A535 VanDerWaalsContact NE-O 3.15Å; V526-A535 HydrophobicContact CG1-CB 4.05Å
536	S	98.7	Very high	96.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	140	167.6	-68.2	0	0	0	0	110	D368 D370 K554 N556 G557	D368-S536 PolarHBondContact N-O 3Å; D368-S536 VanDerWaalsContact N-O 3.11Å; D368-S536 PolarHBondContact O-N 3.27Å; D370-S536 WeakPolarHBondContact OD2-CB 3.1Å; D370-S536 PolarHBondContact OD2-N 3.32Å; D370-S536 PolarHBondContact OD2-OG 3.41Å; S536-K554 VanDerWaalsContact CB-CG 3.42Å; S536-K554 WeakPolarHBondContact OG-CG 3.36Å; S536-N556 PolarHBondContact OG-N 2.8Å; S536-G557 WeakPolarHBondContact CA-O 3.43Å; S536-G557 WeakPolarHBondContact CB-O 3.12Å; S536-G557 PolarHBondContact OG-N 3.11Å; S536-G557 VanDerWaalsContact OG-N 3.12Å
537	I	98.7	Very high	96.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.9	-177.3	-53.2	-175.4	0	0	0	110.5	F365 H366 I367 I522 R523 F539 G557 Q558 Y559	F365-I537 HydrophobicContact CB-CG2 4.33Å; F365-I537 HydrophobicContact CD2-CG2 4Å; F365-I537 HydrophobicContact CG-CG2 4.42Å; H366-I537 WeakPolarHBondContact O-CA 3.44Å; I367-I537 HydrophobicContact CB-CG1 4.43Å; I367-I537 HydrophobicContact CD1-CD1 3.99Å; I367-I537 HydrophobicContact CG1-CD1 3.98Å; I367-I537 HydrophobicContact CG1-CG1 3.99Å; I367-I537 HydrophobicContact CG1-CG2 4.08Å; I367-I537 HydrophobicContact CG2-CD1 4.43Å; I367-I537 HydrophobicContact CG2-CG1 4.2Å; I522-I537 HydrophobicContact CB-CD1 4.12Å; I522-I537 HydrophobicContact CG2-CD1 3.74Å; R523-I537 HydrophobicContact CG-CD1 3.68Å; R523-I537 HydrophobicContact CG-CG1 3.77Å; I537-F539 HydrophobicContact CB-CE1 4.1Å; I537-F539 HydrophobicContact CB-CZ 3.95Å; I537-F539 HydrophobicContact CG2-CD1 3.86Å; I537-F539 HydrophobicContact CG2-CE1 3.31Å; I537-F539 HydrophobicContact CG2-CZ 3.66Å; I537-G557 PolarHBondContact N-O 3.49Å; I537-Q558 WeakPolarHBondContact O-CA 3.44Å; I537-Y559 PolarHBondContact O-N 3.47Å; I537-Y559 VanDerWaalsContact O-N 3.16Å
538	G	98.5	Very high	96.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.5	167.7	0	0	0	0	0	111.5	H366 A546 T550 Y559	H366-G538 PolarHBondContact N-O 2.77Å; H366-G538 PolarHBondContact O-N 2.68Å; G538-A546 CarbonylContact C-O 3.01Å; G538-A546 WeakPolarHBondContact CA-O 3.39Å; G538-T550 VanDerWaalsContact CA-OG1 3.26Å; G538-T550 WeakPolarHBondContact CA-OG1 3.05Å; G538-T550 PolarHBondContact N-OG1 3.42Å; G538-Y559 CarbonylContact C-O 3.59Å; G538-Y559 WeakPolarHBondContact CA-O 3.4Å
539	F	97.7	Very high	96.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146.2	176.3	-32.6	-87.1	0	0	0	109.4	I363 I364 F365 P515 L516 I537 Q558 Y559 W560 L561	I363-F539 HydrophobicContact CG2-CB 4.49Å; I364-F539 CarbonylContact O-C 3.54Å; I364-F539 WeakPolarHBondContact O-CA 3.24Å; F365-F539 AromaticContact CD1-CD1 3.76Å; F365-F539 HydrophobicContact CD1-CD1 3.76Å; F365-F539 HydrophobicContact CD1-CE1 4.48Å; F365-F539 AromaticContact CD2-CD1 3.8Å; F365-F539 HydrophobicContact CD2-CD1 3.8Å; F365-F539 AromaticContact CD2-CE1 3.72Å; F365-F539 HydrophobicContact CD2-CE1 3.72Å; F365-F539 AromaticContact CE1-CD1 3.65Å; F365-F539 HydrophobicContact CE1-CD1 3.65Å; F365-F539 HydrophobicContact CE1-CE1 4.26Å; F365-F539 AromaticContact CE2-CD1 3.71Å; F365-F539 HydrophobicContact CE2-CD1 3.71Å; F365-F539 AromaticContact CE2-CE1 3.48Å; F365-F539 HydrophobicContact CE2-CE1 3.48Å; F365-F539 VanDerWaalsContact CE2-CE1 3.48Å; F365-F539 AromaticContact CG-CD1 3.81Å; F365-F539 HydrophobicContact CG-CD1 3.81Å; F365-F539 HydrophobicContact CG-CE1 4.21Å; F365-F539 AromaticContact CZ-CD1 3.61Å; F365-F539 HydrophobicContact CZ-CD1 3.61Å; F365-F539 AromaticContact CZ-CE1 3.75Å; F365-F539 HydrophobicContact CZ-CE1 3.75Å; P515-F539 HydrophobicContact CB-CB 4.27Å; P515-F539 HydrophobicContact CB-CD1 4.06Å; P515-F539 HydrophobicContact CB-CD2 4.45Å; P515-F539 HydrophobicContact CB-CG 3.98Å; L516-F539 HydrophobicContact CD2-CD2 3.82Å; L516-F539 HydrophobicContact CD2-CE2 3.44Å; L516-F539 VanDerWaalsContact CD2-CE2 3.44Å; L516-F539 HydrophobicContact CD2-CZ 4.36Å; I537-F539 HydrophobicContact CB-CE1 4.1Å; I537-F539 HydrophobicContact CB-CZ 3.95Å; I537-F539 HydrophobicContact CG2-CD1 3.86Å; I537-F539 HydrophobicContact CG2-CE1 3.31Å; I537-F539 HydrophobicContact CG2-CZ 3.66Å; F539-Q558 HydrophobicContact CE2-CB 3.86Å; F539-Q558 HydrophobicContact CE2-CG 4.39Å; F539-Q558 HydrophobicContact CZ-CB 4.01Å; F539-Y559 WeakPolarHBondContact CD2-O 3.3Å; F539-Y559 PolarHBondContact N-O 2.87Å; F539-W560 HydrophobicContact CB-CB 4.28Å; F539-W560 HydrophobicContact CB-CG 4.25Å; F539-W560 HydrophobicContact CD2-CB 3.95Å; F539-W560 WeakPolarHBondContact O-CA 3.47Å; F539-L561 PolarHBondContact O-N 3.07Å
540	G	95.4	Very high	96.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	168.4	169.7	0	0	0	0	0	115.1	I364 S542 L561	I364-G540 PolarHBondContact N-O 2.71Å; I364-G540 PolarHBondContact O-N 3.07Å; G540-S542 PolarHBondContact O-N 3.38Å; G540-L561 WeakPolarHBondContact CA-O 3.44Å
541	T	93.4	Very high	96.4	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.018	10%	0.097	C	C	.	.	S	Bend	trans	-77.5	1	-175.5	64.2	0	0	0	0	114.5	Q362 L562 G563 G567	Q362-T541 VanDerWaalsContact O-CA 3.28Å; Q362-T541 WeakPolarHBondContact O-CA 3.34Å; Q362-T541 WeakPolarHBondContact O-CG2 3.35Å; T541-L562 HydrophobicContact CG2-CD1 3.83Å; T541-G563 WeakPolarHBondContact OG1-CA 3.4Å; T541-G563 PolarHBondContact OG1-N 3.08Å; T541-G563 PolarHBondContact OG1-O 2.89Å; T541-G563 VanDerWaalsContact OG1-O 3.07Å; T541-G567 WeakPolarHBondContact O-CA 3.41Å; T541-G567 PolarHBondContact O-N 2.87Å
542	S	93.8	Very high	96.5	Very high	17 Å²	17	17 Å²	17	12%	0.119	9%	0.092	C	C	.	.	S	Bend	trans	-150.9	163.5	168.1	69.1	0	0	0	0	110.3	G540 L544 L545 A546	G540-S542 PolarHBondContact O-N 3.38Å; S542-L544 VanDerWaalsContact C-N 3.32Å; S542-L544 PolarHBondContact O-N 3.47Å; S542-L545 PolarHBondContact O-N 2.89Å; S542-L545 VanDerWaalsContact O-N 3.09Å; S542-L545 WeakPolarHBondContact OG-CG 3.47Å; S542-L545 PolarHBondContact OG-N 3.17Å; S542-A546 PolarHBondContact O-N 3.1Å
543	K	95.1	Very high	96.7	Very high	20 Å²	20	15.2 Å²	15.2	9%	0.087	7%	0.072	C	C	.	.	H	α-helix	trans	-60.9	-41.2	179.6	-69.2	166	56.3	171.1	0	112	I364 Y482 L545 R547 S672 L673	I364-K543 HydrophobicContact CD1-CG 3.98Å; I364-K543 HydrophobicContact CG2-CG 4.35Å; Y482-K543 HydrophobicContact CD1-CB 4.18Å; Y482-K543 HydrophobicContact CD1-CG 3.95Å; Y482-K543 HydrophobicContact CE1-CB 3.58Å; Y482-K543 HydrophobicContact CE1-CG 3.87Å; Y482-K543 WeakPolarHBondContact CE1-O 3.31Å; Y482-K543 HydrophobicContact CG-CG 4.37Å; K543-L545 PolarHBondContact O-N 3.11Å; K543-R547 VanDerWaalsContact O-CB 3.24Å; K543-R547 WeakPolarHBondContact O-CB 3.23Å; K543-R547 PolarHBondContact O-N 3.01Å; K543-S672 WeakPolarHBondContact CD-O 3.29Å; K543-S672 PolarHBondContact NZ-O 3.23Å; K543-L673 HydrophobicContact CD-CD2 3.8Å; K543-L673 HydrophobicContact CD-CG 4.04Å; K543-L673 HydrophobicContact CG-CD2 3.99Å; K543-L673 HydrophobicContact CG-CG 4.32Å
544	L	95.6	Very high	96.7	Very high	8 Å²	8	17.5 Å²	17.5	4%	0.042	8%	0.082	C	C	.	.	H	α-helix	trans	-54	-49.6	170.4	175.9	59	0	0	0	112.1	S542 R547 L548 P618 A664 D669	S542-L544 VanDerWaalsContact C-N 3.32Å; S542-L544 PolarHBondContact O-N 3.47Å; L544-R547 PolarHBondContact O-N 3.36Å; L544-L548 HydrophobicContact CD1-CD1 3.84Å; L544-L548 HydrophobicContact CD1-CG 4.09Å; L544-L548 HydrophobicContact CG-CD1 4.04Å; L544-L548 WeakPolarHBondContact O-CB 3.37Å; L544-L548 VanDerWaalsContact O-CG 3.28Å; L544-L548 WeakPolarHBondContact O-CG 3.48Å; L544-L548 PolarHBondContact O-N 3.21Å; L544-P618 HydrophobicContact CD1-CG 3.86Å; L544-A664 HydrophobicContact CD2-CB 3.87Å; L544-D669 HydrophobicContact CB-CB 3.91Å; L544-D669 WeakPolarHBondContact CB-OD2 3.44Å; L544-D669 PolarHBondContact N-OD2 3.16Å
545	L	96.3	Very high	96.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.9	-47.8	-179.5	-66.8	-177.6	0	0	0	111.9	S542 K543 R547 L548 A549 L561 G563 E600 L601	S542-L545 PolarHBondContact O-N 2.89Å; S542-L545 VanDerWaalsContact O-N 3.09Å; S542-L545 WeakPolarHBondContact OG-CG 3.47Å; S542-L545 PolarHBondContact OG-N 3.17Å; K543-L545 PolarHBondContact O-N 3.11Å; L545-R547 PolarHBondContact O-N 2.71Å; L545-L548 PolarHBondContact O-N 3.07Å; L545-L548 VanDerWaalsContact O-N 3.11Å; L545-A549 WeakPolarHBondContact O-CB 3.43Å; L545-A549 PolarHBondContact O-N 2.77Å; L545-L561 HydrophobicContact CB-CB 4.09Å; L545-L561 HydrophobicContact CD2-CD1 4.32Å; L545-L561 WeakPolarHBondContact O-CD1 3.3Å; L545-G563 VanDerWaalsContact CD1-CA 3.4Å; L545-E600 HydrophobicContact CD1-CB 4.24Å; L545-L601 HydrophobicContact CD1-CD2 4.3Å; L545-L601 HydrophobicContact CD2-CD1 4.07Å; L545-L601 HydrophobicContact CD2-CD2 3.94Å; L545-L601 HydrophobicContact CD2-CG 4.04Å
546	A	97.4	Very high	96.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-54.8	-41.2	175.3	0	0	0	0	0	112.2	I364 H366 G538 S542 A549 T550	I364-A546 HydrophobicContact CB-CB 4.42Å; I364-A546 HydrophobicContact CG2-CB 4.34Å; I364-A546 VanDerWaalsContact O-CB 3.26Å; I364-A546 WeakPolarHBondContact O-CB 3.25Å; H366-A546 HydrophobicContact CB-CB 3.81Å; G538-A546 CarbonylContact C-O 3.01Å; G538-A546 WeakPolarHBondContact CA-O 3.39Å; S542-A546 PolarHBondContact O-N 3.1Å; A546-A549 PolarHBondContact O-N 3.04Å; A546-T550 PolarHBondContact O-N 2.67Å; A546-T550 PolarHBondContact O-OG1 2.66Å
547	R	97.4	Very high	96.6	Very high	68 Å²	68	23.7 Å²	23.7	26%	0.257	12%	0.121	S	C	.	.	H	α-helix	trans	-70.5	-39.1	176.7	-167.7	-178.9	-164.2	98.2	3.5	113.3	H366 E480 Y482 K543 L544 L545 T550 K551 P618	H366-R547 PolarHBondContact NE2-NH1 2.76Å; H366-R547 VanDerWaalsContact NE2-NH1 3.19Å; E480-R547 IonicContact OE1-CZ 2.67Å; E480-R547 IonicContact OE1-NH1 2.67Å; E480-R547 PolarHBondContact OE1-NH1 2.96Å; E480-R547 IonicContact OE1-NH2 3.78Å; E480-R547 PolarHBondContact OE1-NH2 3.21Å; E480-R547 IonicContact OE2-CZ 3.75Å; E480-R547 IonicContact OE2-NH1 3.79Å; E480-R547 IonicContact OE2-NH2 3.21Å; E480-R547 PolarHBondContact OE2-NH2 2.92Å; Y482-R547 PolarHBondContact OH-NH1 3.1Å; K543-R547 VanDerWaalsContact O-CB 3.24Å; K543-R547 WeakPolarHBondContact O-CB 3.23Å; K543-R547 PolarHBondContact O-N 3.01Å; L544-R547 PolarHBondContact O-N 3.36Å; L545-R547 PolarHBondContact O-N 2.71Å; R547-T550 PolarHBondContact O-N 3.25Å; R547-K551 PolarHBondContact O-N 3.08Å; R547-P618 HydrophobicContact CG-CG 4.43Å
548	L	97.2	Very high	96.6	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-65.9	-40.1	173.9	-75.5	174.7	0	0	0	111.3	L544 L545 T550 K551 K552 L561 W608 L609 L612 I617	L544-L548 HydrophobicContact CD1-CD1 3.84Å; L544-L548 HydrophobicContact CD1-CG 4.09Å; L544-L548 HydrophobicContact CG-CD1 4.04Å; L544-L548 WeakPolarHBondContact O-CB 3.37Å; L544-L548 VanDerWaalsContact O-CG 3.28Å; L544-L548 WeakPolarHBondContact O-CG 3.48Å; L544-L548 PolarHBondContact O-N 3.21Å; L545-L548 PolarHBondContact O-N 3.07Å; L545-L548 VanDerWaalsContact O-N 3.11Å; L548-T550 VanDerWaalsContact C-N 3.35Å; L548-T550 PolarHBondContact O-N 2.92Å; L548-K551 VanDerWaalsContact O-CB 3.28Å; L548-K551 WeakPolarHBondContact O-CB 3.2Å; L548-K551 PolarHBondContact O-N 3.06Å; L548-K551 VanDerWaalsContact O-N 3.15Å; L548-K552 PolarHBondContact O-N 3.19Å; L548-K552 VanDerWaalsContact O-N 3.08Å; L548-L561 HydrophobicContact CB-CD1 3.8Å; L548-W608 HydrophobicContact CB-CH2 4.06Å; L548-W608 HydrophobicContact CB-CZ3 4.21Å; L548-W608 HydrophobicContact CD2-CH2 4.44Å; L548-W608 WeakPolarHBondContact O-CH2 3.48Å; L548-L609 HydrophobicContact CD1-CD1 4.44Å; L548-L612 HydrophobicContact CD2-CD1 3.95Å; L548-I617 HydrophobicContact CD2-CD1 4.09Å
549	A	98	Very high	96.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-45.2	173.5	0	0	0	0	0	110.8	L545 A546 K551 K552 A553 Y559 L561	L545-A549 WeakPolarHBondContact O-CB 3.43Å; L545-A549 PolarHBondContact O-N 2.77Å; A546-A549 PolarHBondContact O-N 3.04Å; A549-K551 VanDerWaalsContact C-N 3.25Å; A549-K551 PolarHBondContact O-N 2.88Å; A549-K552 CarbonylContact O-C 3.52Å; A549-K552 WeakPolarHBondContact O-CA 3.21Å; A549-K552 WeakPolarHBondContact O-CB 3.47Å; A549-K552 PolarHBondContact O-N 2.91Å; A549-A553 WeakPolarHBondContact O-CB 3.37Å; A549-A553 PolarHBondContact O-N 2.63Å; A549-Y559 HydrophobicContact CB-CD1 4.14Å; A549-Y559 WeakPolarHBondContact CB-O 3.34Å; A549-L561 HydrophobicContact CB-CB 4.29Å; A549-L561 HydrophobicContact CB-CD1 3.93Å; A549-L561 HydrophobicContact CB-CG 3.81Å
550	T	98.3	Very high	96.4	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-59.5	-37.8	175.4	-49.8	0	0	0	0	111.9	H366 D368 G538 A546 R547 L548 K552 A553 K554	H366-T550 WeakPolarHBondContact CB-OG1 3.32Å; H366-T550 WeakPolarHBondContact ND1-CB 3.2Å; H366-T550 PolarHBondContact ND1-OG1 3.35Å; H366-T550 PolarHBondContact O-OG1 2.61Å; H366-T550 VanDerWaalsContact O-OG1 3.12Å; D368-T550 HydrophobicContact CB-CG2 3.74Å; G538-T550 VanDerWaalsContact CA-OG1 3.26Å; G538-T550 WeakPolarHBondContact CA-OG1 3.05Å; G538-T550 PolarHBondContact N-OG1 3.42Å; A546-T550 PolarHBondContact O-N 2.67Å; A546-T550 PolarHBondContact O-OG1 2.66Å; R547-T550 PolarHBondContact O-N 3.25Å; L548-T550 VanDerWaalsContact C-N 3.35Å; L548-T550 PolarHBondContact O-N 2.92Å; T550-K552 VanDerWaalsContact C-N 3.3Å; T550-K552 PolarHBondContact O-N 2.98Å; T550-A553 PolarHBondContact O-N 3.19Å; T550-K554 PolarHBondContact O-N 3.28Å
551	K	95.3	Very high	96.4	Very high	87 Å²	87	29.3 Å²	29.3	38%	0.378	14%	0.144	S	C	.	.	H	α-helix	trans	-65.1	-33.1	175.9	-161.8	-150.9	-174.7	83.5	0	112.4	R547 L548 A549 E616	R547-K551 PolarHBondContact O-N 3.08Å; L548-K551 VanDerWaalsContact O-CB 3.28Å; L548-K551 WeakPolarHBondContact O-CB 3.2Å; L548-K551 PolarHBondContact O-N 3.06Å; L548-K551 VanDerWaalsContact O-N 3.15Å; A549-K551 VanDerWaalsContact C-N 3.25Å; A549-K551 PolarHBondContact O-N 2.88Å; K551-E616 WeakPolarHBondContact CE-OE2 3.3Å; K551-E616 PolarHBondContact NZ-O 3.03Å; K551-E616 VanDerWaalsContact NZ-O 3.13Å; K551-E616 IonicContact NZ-OE2 2.7Å; K551-E616 PolarHBondContact NZ-OE2 3.19Å
552	K	95.2	Very high	96.3	Very high	68 Å²	68	29.9 Å²	29.9	30%	0.296	15%	0.147	S	C	.	.	H	α-helix	trans	-78.5	-26.1	173.8	-165.6	174.2	176.4	-176.1	0	112.2	L548 A549 T550 Y559 W608	L548-K552 PolarHBondContact O-N 3.19Å; L548-K552 VanDerWaalsContact O-N 3.08Å; A549-K552 CarbonylContact O-C 3.52Å; A549-K552 WeakPolarHBondContact O-CA 3.21Å; A549-K552 WeakPolarHBondContact O-CB 3.47Å; A549-K552 PolarHBondContact O-N 2.91Å; T550-K552 VanDerWaalsContact C-N 3.3Å; T550-K552 PolarHBondContact O-N 2.98Å; K552-Y559 HydrophobicContact CB-CG 4.29Å; K552-Y559 HydrophobicContact CD-CD1 3.98Å; K552-Y559 HydrophobicContact CD-CD2 3.93Å; K552-Y559 HydrophobicContact CD-CE1 3.79Å; K552-Y559 HydrophobicContact CD-CE2 3.72Å; K552-Y559 HydrophobicContact CD-CG 4.08Å; K552-Y559 VanDerWaalsContact CE-CE2 3.49Å; K552-Y559 HydrophobicContact CG-CD2 4.12Å; K552-Y559 HydrophobicContact CG-CE2 4.34Å; K552-Y559 HydrophobicContact CG-CG 4.27Å; K552-Y559 PolarHBondContact NZ-OH 3.43Å; K552-W608 HydrophobicContact CB-CH2 4.2Å; K552-W608 HydrophobicContact CB-CZ2 3.83Å; K552-W608 HydrophobicContact CD-CD2 4.27Å; K552-W608 HydrophobicContact CD-CZ2 4.15Å; K552-W608 HydrophobicContact CG-CZ2 4.16Å
553	A	97.4	Very high	96.2	Very high	11 Å²	11	29.1 Å²	29.1	9%	0.091	14%	0.141	C	C	.	.	H	α-helix	trans	-81.2	-26.7	-176.9	0	0	0	0	0	115.6	A549 T550 G557	A549-A553 WeakPolarHBondContact O-CB 3.37Å; A549-A553 PolarHBondContact O-N 2.63Å; T550-A553 PolarHBondContact O-N 3.19Å; A553-G557 CarbonylContact O-C 3.59Å; A553-G557 WeakPolarHBondContact O-CA 3.29Å; A553-G557 PolarHBondContact O-N 3.09Å
554	K	96.9	Very high	95.8	Very high	48 Å²	48	28.5 Å²	28.5	21%	0.209	14%	0.139	C	C	.	.			trans	-75.5	142.6	-174.3	-79.5	179.4	176.6	-74.2	0	113.3	D368 M369 D370 S536 T550	D368-K554 VanDerWaalsContact CG-NZ 3.27Å; D368-K554 PolarHBondContact O-NZ 2.93Å; D368-K554 WeakPolarHBondContact OD1-CE 3.29Å; D368-K554 IonicContact OD1-NZ 3.17Å; D368-K554 PolarHBondContact OD1-NZ 3.15Å; D368-K554 WeakPolarHBondContact OD2-CE 3.33Å; D368-K554 IonicContact OD2-NZ 2.66Å; M369-K554 PolarHBondContact O-NZ 3.22Å; D370-K554 WeakPolarHBondContact OD1-CG 3.26Å; D370-K554 IonicContact OD1-NZ 3.31Å; D370-K554 PolarHBondContact OD1-NZ 2.68Å; D370-K554 IonicContact OD2-NZ 3.38Å; S536-K554 VanDerWaalsContact CB-CG 3.42Å; S536-K554 WeakPolarHBondContact OG-CG 3.36Å; T550-K554 PolarHBondContact O-N 3.28Å
555	P	96.4	Very high	95.3	Very high	70 Å²	70	29.4 Å²	29.4	46%	0.455	15%	0.146	S	C	.	.	S	Bend	cis	-87.6	155.6	1.4	34	-35.2	0	0	0	114.5	Y422 G557	Y422-P555 HydrophobicContact CD1-CB 3.83Å; Y422-P555 HydrophobicContact CD1-CG 4.06Å; Y422-P555 HydrophobicContact CD2-CB 3.73Å; Y422-P555 HydrophobicContact CE1-CB 3.77Å; Y422-P555 HydrophobicContact CE1-CG 4.32Å; Y422-P555 HydrophobicContact CE2-CB 3.66Å; Y422-P555 HydrophobicContact CG-CB 3.81Å; Y422-P555 HydrophobicContact CG-CG 4.19Å; P555-G557 VanDerWaalsContact C-N 3.27Å; P555-G557 PolarHBondContact O-N 2.91Å; P555-G557 VanDerWaalsContact O-N 3.15Å
556	N	96.8	Very high	94.4	Very high	79 Å²	79	29.5 Å²	29.5	42%	0.422	15%	0.147	S	C	.	.	S	Bend	trans	38.5	53.7	173.8	-172.4	24.3	0	0	0	113.6	D370 R523 T534 S536	D370-N556 PolarHBondContact OD2-N 2.95Å; R523-N556 VanDerWaalsContact NH2-C 3.31Å; R523-N556 PolarHBondContact NH2-O 3.03Å; R523-N556 PolarHBondContact NH2-OD1 2.7Å; T534-N556 HydrophobicContact CG2-CB 4.24Å; S536-N556 PolarHBondContact OG-N 2.8Å
557	G	97.8	Very high	93.1	Very high	15 Å²	15	30.6 Å²	30.6	16%	0.155	16%	0.158	C	C	.	.			trans	-143.2	-176.1	-177.4	0	0	0	0	0	112.2	R523 S536 I537 A553 P555	R523-G557 PolarHBondContact NE-O 3.14Å; S536-G557 WeakPolarHBondContact CA-O 3.43Å; S536-G557 WeakPolarHBondContact CB-O 3.12Å; S536-G557 PolarHBondContact OG-N 3.11Å; S536-G557 VanDerWaalsContact OG-N 3.12Å; I537-G557 PolarHBondContact N-O 3.49Å; A553-G557 CarbonylContact O-C 3.59Å; A553-G557 WeakPolarHBondContact O-CA 3.29Å; A553-G557 PolarHBondContact O-N 3.09Å; P555-G557 VanDerWaalsContact C-N 3.27Å; P555-G557 PolarHBondContact O-N 2.91Å; P555-G557 VanDerWaalsContact O-N 3.15Å
558	Q	98.2	Very high	91.4	Very high	30 Å²	30	29.3 Å²	29.3	14%	0.14	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	147.1	179.2	67	-170.9	28.5	0	0	111.5	L516 G519 G520 I537 F539	L516-Q558 HydrophobicContact CD2-CG 4.3Å; L516-Q558 PolarHBondContact O-NE2 3.31Å; G519-Q558 PolarHBondContact O-OE1 2.99Å; G520-Q558 VanDerWaalsContact N-OE1 3.15Å; I537-Q558 WeakPolarHBondContact O-CA 3.44Å; F539-Q558 HydrophobicContact CE2-CB 3.86Å; F539-Q558 HydrophobicContact CE2-CG 4.39Å; F539-Q558 HydrophobicContact CZ-CB 4.01Å
559	Y	97.4	Very high	89.2	Confident	45 Å²	45	32.3 Å²	32.3	18%	0.176	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	145.8	-175.5	-160.7	-81.7	0	0	0	110.8	I537 G538 F539 A549 K552 L561 E605	I537-Y559 PolarHBondContact O-N 3.47Å; I537-Y559 VanDerWaalsContact O-N 3.16Å; G538-Y559 CarbonylContact C-O 3.59Å; G538-Y559 WeakPolarHBondContact CA-O 3.4Å; F539-Y559 WeakPolarHBondContact CD2-O 3.3Å; F539-Y559 PolarHBondContact N-O 2.87Å; A549-Y559 HydrophobicContact CB-CD1 4.14Å; A549-Y559 WeakPolarHBondContact CB-O 3.34Å; K552-Y559 HydrophobicContact CB-CG 4.29Å; K552-Y559 HydrophobicContact CD-CD1 3.98Å; K552-Y559 HydrophobicContact CD-CD2 3.93Å; K552-Y559 HydrophobicContact CD-CE1 3.79Å; K552-Y559 HydrophobicContact CD-CE2 3.72Å; K552-Y559 HydrophobicContact CD-CG 4.08Å; K552-Y559 VanDerWaalsContact CE-CE2 3.49Å; K552-Y559 HydrophobicContact CG-CD2 4.12Å; K552-Y559 HydrophobicContact CG-CE2 4.34Å; K552-Y559 HydrophobicContact CG-CG 4.27Å; K552-Y559 PolarHBondContact NZ-OH 3.43Å; Y559-L561 HydrophobicContact CD1-CD2 4.28Å; Y559-L561 HydrophobicContact CD1-CG 4.21Å; Y559-L561 HydrophobicContact CE1-CD2 3.73Å; Y559-L561 HydrophobicContact CE1-CG 4.14Å; Y559-E605 WeakPolarHBondContact CE1-OE1 3.43Å; Y559-E605 VanDerWaalsContact CZ-OE1 3.26Å; Y559-E605 PolarHBondContact OH-OE1 3.18Å
560	W	95.7	Very high	86.9	Confident	43 Å²	43	36 Å²	36	16%	0.163	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.6	-180	178.5	33.6	0	0	0	110.6	I338 L340 I512 L516 F539 L562	I338-W560 HydrophobicContact CD1-CE3 4.24Å; I338-W560 HydrophobicContact CD1-CH2 3.82Å; I338-W560 HydrophobicContact CD1-CZ3 3.43Å; I338-W560 VanDerWaalsContact CD1-CZ3 3.43Å; I338-W560 HydrophobicContact CG2-CH2 4.11Å; I338-W560 HydrophobicContact CG2-CZ3 4.4Å; L340-W560 HydrophobicContact CD2-CH2 3.99Å; L340-W560 HydrophobicContact CD2-CZ2 4.25Å; I512-W560 HydrophobicContact CD1-CH2 4.47Å; I512-W560 HydrophobicContact CD1-CZ2 4.27Å; L516-W560 HydrophobicContact CD2-CB 4.31Å; F539-W560 HydrophobicContact CB-CB 4.28Å; F539-W560 HydrophobicContact CB-CG 4.25Å; F539-W560 HydrophobicContact CD2-CB 3.95Å; F539-W560 WeakPolarHBondContact O-CA 3.47Å; W560-L562 HydrophobicContact CZ2-CB 4.33Å; W560-L562 HydrophobicContact CZ2-CD1 4.08Å
561	L	94.6	Very high	84.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	108.1	172.7	-73.3	178.2	0	0	0	109.9	F539 G540 L545 L548 A549 Y559 G563 L601 E605 W608	F539-L561 PolarHBondContact O-N 3.07Å; G540-L561 WeakPolarHBondContact CA-O 3.44Å; L545-L561 HydrophobicContact CB-CB 4.09Å; L545-L561 HydrophobicContact CD2-CD1 4.32Å; L545-L561 WeakPolarHBondContact O-CD1 3.3Å; L548-L561 HydrophobicContact CB-CD1 3.8Å; A549-L561 HydrophobicContact CB-CB 4.29Å; A549-L561 HydrophobicContact CB-CD1 3.93Å; A549-L561 HydrophobicContact CB-CG 3.81Å; Y559-L561 HydrophobicContact CD1-CD2 4.28Å; Y559-L561 HydrophobicContact CD1-CG 4.21Å; Y559-L561 HydrophobicContact CE1-CD2 3.73Å; Y559-L561 HydrophobicContact CE1-CG 4.14Å; L561-G563 PolarHBondContact O-N 3Å; L561-L601 HydrophobicContact CB-CD2 4.16Å; L561-L601 HydrophobicContact CD1-CD1 4.36Å; L561-L601 HydrophobicContact CD2-CD1 4.12Å; L561-L601 HydrophobicContact CD2-CD2 4.1Å; L561-E605 HydrophobicContact CD2-CB 4.16Å; L561-E605 VanDerWaalsContact CD2-CD 3.4Å; L561-E605 HydrophobicContact CD2-CG 4.35Å; L561-E605 WeakPolarHBondContact CD2-OE1 3.44Å; L561-E605 WeakPolarHBondContact CD2-OE2 3.36Å; L561-W608 HydrophobicContact CD1-CZ3 4.13Å
562	L	92.1	Very high	82.1	Confident	15 Å²	15	46.7 Å²	46.7	8%	0.079	26%	0.258	C	S	.	.			trans	-81.5	108.8	175	-177.9	66.8	0	0	0	109.6	L340 T541 W560 Y584	L340-L562 HydrophobicContact CD2-CD1 4.12Å; L340-L562 HydrophobicContact CD2-CD2 3.8Å; T541-L562 HydrophobicContact CG2-CD1 3.83Å; W560-L562 HydrophobicContact CZ2-CB 4.33Å; W560-L562 HydrophobicContact CZ2-CD1 4.08Å; L562-Y584 VanDerWaalsContact CD2-C 3.5Å
563	G	91.2	Very high	79.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.267	C	S	.	.			trans	-89.3	125.6	174.2	0	0	0	0	0	111.9	T541 L545 L561 S565 G566 E600	T541-G563 WeakPolarHBondContact OG1-CA 3.4Å; T541-G563 PolarHBondContact OG1-N 3.08Å; T541-G563 PolarHBondContact OG1-O 2.89Å; T541-G563 VanDerWaalsContact OG1-O 3.07Å; L545-G563 VanDerWaalsContact CD1-CA 3.4Å; L561-G563 PolarHBondContact O-N 3Å; G563-S565 PolarHBondContact O-N 2.74Å; G563-G566 PolarHBondContact O-N 2.98Å; G563-E600 VanDerWaalsContact C-OE2 3.28Å; G563-E600 WeakPolarHBondContact CA-O 3.22Å
564	R	87.8	Confident	76.8	Confident	7 Å²	7	57.5 Å²	57.5	3%	0.026	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-29.4	-174.8	-70.2	171	90.6	162.9	13.6	115.2	G566 R582 W583 Y584 L593 E600	R564-G566 VanDerWaalsContact C-N 3.28Å; R564-G566 PolarHBondContact O-N 2.89Å; R564-R582 CarbonylContact O-C 3.55Å; R564-R582 VanDerWaalsContact O-CA 3.28Å; R564-R582 WeakPolarHBondContact O-CA 3.38Å; R564-W583 PolarHBondContact O-N 2.93Å; R564-Y584 HydrophobicContact CG-CE1 4.3Å; R564-Y584 PolarHBondContact NE-OH 3.38Å; R564-Y584 PolarHBondContact NH2-OH 3.31Å; R564-L593 VanDerWaalsContact CZ-O 3.26Å; R564-L593 PolarHBondContact NH1-O 2.91Å; R564-L593 PolarHBondContact NH2-O 2.85Å; R564-E600 WeakPolarHBondContact CG-O 3.15Å; R564-E600 PolarHBondContact N-O 2.83Å; R564-E600 PolarHBondContact N-OE2 3.12Å
565	S	83.4	Confident	74.2	Confident	27 Å²	27	63.3 Å²	63.3	19%	0.189	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.3	177.6	-60.8	0	0	0	0	113.9	G563 G567 A568 E600	G563-S565 PolarHBondContact O-N 2.74Å; S565-G567 PolarHBondContact O-N 2.82Å; S565-G567 VanDerWaalsContact O-N 3.09Å; S565-A568 VanDerWaalsContact O-CB 3.25Å; S565-A568 WeakPolarHBondContact O-CB 3.2Å; S565-A568 PolarHBondContact O-N 3.33Å; S565-E600 WeakPolarHBondContact CB-OE1 3.34Å; S565-E600 VanDerWaalsContact CB-OE2 3.28Å; S565-E600 WeakPolarHBondContact CB-OE2 2.98Å; S565-E600 PolarHBondContact N-OE2 3.44Å; S565-E600 PolarHBondContact OG-OE1 3.21Å; S565-E600 PolarHBondContact OG-OE2 2.84Å
566	G	77.9	Confident	72	Confident	2 Å²	2	63.8 Å²	63.8	2%	0.021	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	14	176.7	0	0	0	0	0	115.5	P361 Q362 G563 R564	P361-G566 WeakPolarHBondContact CA-O 3.44Å; Q362-G566 PolarHBondContact N-O 3.02Å; G563-G566 PolarHBondContact O-N 2.98Å; R564-G566 VanDerWaalsContact C-N 3.28Å; R564-G566 PolarHBondContact O-N 2.89Å
567	G	69.8	Low	69.9	Low	23 Å²	23	67.3 Å²	67.3	24%	0.237	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-4.4	-171.2	0	0	0	0	0	114.7	T541 S565 C569	T541-G567 WeakPolarHBondContact O-CA 3.41Å; T541-G567 PolarHBondContact O-N 2.87Å; S565-G567 PolarHBondContact O-N 2.82Å; S565-G567 VanDerWaalsContact O-N 3.09Å; G567-C569 VanDerWaalsContact C-N 3.29Å; G567-C569 PolarHBondContact O-N 3.41Å
568	A	62.6	Low	67.8	Low	41 Å²	41	69.3 Å²	69.3	34%	0.339	35%	0.35	S	S	.	.			trans	-69.9	82.8	172.5	0	0	0	0	0	110.8	S565 P570	S565-A568 VanDerWaalsContact O-CB 3.25Å; S565-A568 WeakPolarHBondContact O-CB 3.2Å; S565-A568 PolarHBondContact O-N 3.33Å; A568-P570 VanDerWaalsContact O-CD 3.31Å; A568-P570 WeakPolarHBondContact O-CD 3.22Å
569	C	51.5	Low	66.1	Low	66 Å²	66	71 Å²	71	45%	0.446	36%	0.358	S	S	.	.			trans	-55.1	120.2	178.5	-172.4	0	0	0	0	110.2	G567 K571 D669	G567-C569 VanDerWaalsContact C-N 3.29Å; G567-C569 PolarHBondContact O-N 3.41Å; C569-K571 PolarHBondContact O-N 2.82Å; C569-D669 PolarHBondContact SG-O 3.06Å
570	P	49.1	Very low	65.1	Low	77 Å²	77	71.1 Å²	71.1	50%	0.5	37%	0.365	S	S	.	.			trans	-63.5	98.4	-172.3	-26.3	35.8	0	0	0	112.7	A568 L572	A568-P570 VanDerWaalsContact O-CD 3.31Å; A568-P570 WeakPolarHBondContact O-CD 3.22Å; P570-L572 PolarHBondContact O-N 3.35Å
571	K	47.2	Very low	64.3	Low	188 Å²	188	70.4 Å²	70.4	82%	0.817	36%	0.362	S	S	*	.			trans	-60.4	113.5	166.5	-73	179.1	-177.9	170.4	0	107.5	C569 D573	C569-K571 PolarHBondContact O-N 2.82Å; K571-D573 PolarHBondContact O-N 2.66Å
572	L	44.6	Very low	63.8	Low	125 Å²	125	72.5 Å²	72.5	65%	0.654	37%	0.37	S	S	*	.			trans	-72	54.6	179.2	-88.2	153.8	0	0	0	112.1	P570	P570-L572 PolarHBondContact O-N 3.35Å
573	D	37.5	Very low	63.5	Low	92 Å²	92	72 Å²	72	49%	0.492	37%	0.368	S	S	.	.			trans	-69.4	154.6	156.2	-145.4	-48.2	0	0	0	109.2	K571	K571-D573 PolarHBondContact O-N 2.66Å
574	R	44.6	Very low	63.2	Low	214 Å²	214	72 Å²	72	81%	0.808	37%	0.368	S	S	*	.	S	Bend	trans	-83.2	-18.1	179.6	-74.5	-175.7	168.6	-166.6	-8.1	112.9
575	Q	41.3	Very low	62.9	Low	171 Å²	171	72.3 Å²	72.3	80%	0.799	37%	0.371	S	S	*	.	S	Bend	trans	-88.3	-39.3	-176.7	-65.9	178.5	-62.8	0	0	112.2	K577	Q575-K577 PolarHBondContact O-N 3.01Å
576	T	50.4	Low	62.5	Low	80 Å²	80	74 Å²	74	49%	0.491	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-84.3	16.2	-176.9	59.4	0	0	0	0	114.3	N578	T576-N578 PolarHBondContact O-N 2.96Å
577	K	53	Low	62	Low	152 Å²	152	80.7 Å²	80.7	66%	0.661	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-72.2	-18.9	-173.3	-116.9	-161.1	170.3	-137.8	0	114.2	Q575	Q575-K577 PolarHBondContact O-N 3.01Å
578	N	54.8	Low	61.8	Low	58 Å²	58	81.9 Å²	81.9	31%	0.31	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-113.4	-3.5	-167.1	-68.8	30.4	0	0	0	112.6	N346 C347 N348 T576	N346-N578 CarbonylContact C-O 3.54Å; N346-N578 VanDerWaalsContact CA-O 3.27Å; N346-N578 WeakPolarHBondContact CA-O 3.48Å; N346-N578 PolarHBondContact OD1-O 3.01Å; C347-N578 PolarHBondContact N-O 3.22Å; C347-N578 WeakPolarHBondContact SG-CB 3.3Å; C347-N578 VanDerWaalsContact SG-CG 3.53Å; N348-N578 PolarHBondContact ND2-ND2 2.97Å; N348-N578 PolarHBondContact OD1-ND2 2.85Å; T576-N578 PolarHBondContact O-N 2.96Å
579	E	61	Low	61.7	Low	66 Å²	66	85.8 Å²	85.8	31%	0.308	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	118.1	-173.5	-72.2	172.8	-179.2	0	0	109.6	Y344 V345 N346	Y344-E579 HydrophobicContact CE2-CB 4.31Å; Y344-E579 WeakPolarHBondContact OH-CG 3.47Å; V345-E579 WeakPolarHBondContact O-CA 3.38Å; N346-E579 HydrophobicContact CB-CG 3.97Å; N346-E579 VanDerWaalsContact CG-CG 3.43Å; N346-E579 WeakPolarHBondContact ND2-CG 3.05Å; N346-E579 PolarHBondContact ND2-OE1 3.1Å
580	S	76.2	Confident	62.1	Low	47 Å²	47	84.2 Å²	84.2	33%	0.329	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	135.1	-178	63.4	0	0	0	0	111.9	V345	V345-S580 PolarHBondContact N-O 3.29Å; V345-S580 PolarHBondContact O-N 2.98Å
581	W	79.5	Confident	62.5	Low	28 Å²	28	89.8 Å²	89.8	11%	0.106	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	141.5	159.5	-67.6	96.6	0	0	0	110	A342 R343 Y344 P354 S356 P358 I497 W506	A342-W581 HydrophobicContact CB-CE3 3.95Å; A342-W581 WeakPolarHBondContact O-CZ3 3.47Å; R343-W581 CarbonylContact O-C 3.58Å; R343-W581 WeakPolarHBondContact O-CA 3.34Å; Y344-W581 HydrophobicContact CD2-CD2 4.14Å; Y344-W581 AromaticContact CD2-CE2 3.95Å; Y344-W581 HydrophobicContact CD2-CG 4.4Å; Y344-W581 HydrophobicContact CD2-CZ2 4.36Å; P354-W581 HydrophobicContact CB-CH2 4.14Å; P354-W581 HydrophobicContact CB-CZ2 3.4Å; P354-W581 HydrophobicContact CG-CH2 3.95Å; P354-W581 HydrophobicContact CG-CZ2 3.61Å; S356-W581 WeakPolarHBondContact O-CZ2 3.41Å; S356-W581 PolarHBondContact O-NE1 3.34Å; P358-W581 HydrophobicContact CB-CB 4.08Å; P358-W581 HydrophobicContact CB-CD2 3.78Å; P358-W581 HydrophobicContact CB-CE3 4.18Å; P358-W581 HydrophobicContact CB-CG 3.72Å; P358-W581 HydrophobicContact CG-CD2 4.15Å; P358-W581 HydrophobicContact CG-CE3 4.25Å; I497-W581 HydrophobicContact CD1-CH2 4.17Å; I497-W581 HydrophobicContact CD1-CZ2 4.07Å; I497-W581 HydrophobicContact CG1-CH2 4.34Å; I497-W581 HydrophobicContact CG2-CH2 4.28Å; W506-W581 HydrophobicContact CB-CH2 4.31Å
582	R	84.3	Confident	62.7	Low	44 Å²	44	87.7 Å²	87.7	17%	0.166	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.6	175.4	-61.3	-174.9	-169.1	155.3	3.8	110.4	A342 R343 V345 R564 Y584 E594	A342-R582 CarbonylContact C-O 3.57Å; A342-R582 WeakPolarHBondContact CA-O 3.4Å; R343-R582 PolarHBondContact N-O 2.98Å; R343-R582 PolarHBondContact O-N 3.34Å; V345-R582 HydrophobicContact CG2-CG 4.23Å; R564-R582 CarbonylContact O-C 3.55Å; R564-R582 VanDerWaalsContact O-CA 3.28Å; R564-R582 WeakPolarHBondContact O-CA 3.38Å; R582-Y584 HydrophobicContact CB-CE2 3.84Å; R582-Y584 WeakPolarHBondContact CB-OH 3.36Å; R582-Y584 WeakPolarHBondContact CD-OH 3.47Å; R582-Y584 VanDerWaalsContact O-CE2 3.26Å; R582-Y584 WeakPolarHBondContact O-CE2 3.31Å; R582-E594 IonicContact NH1-OE1 2.66Å
583	W	85.7	Confident	63.2	Low	5 Å²	5	82.4 Å²	82.4	2%	0.019	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	143.1	-177.8	-69.4	92.5	0	0	0	112.6	L340 H341 A342 P358 Q359 P361 Y510 R564	L340-W583 HydrophobicContact CB-CE3 3.89Å; L340-W583 HydrophobicContact CB-CZ3 3.78Å; H341-W583 CarbonylContact O-C 3.58Å; H341-W583 WeakPolarHBondContact O-CA 3.3Å; A342-W583 HydrophobicContact CB-CD2 3.92Å; A342-W583 HydrophobicContact CB-CE3 3.88Å; A342-W583 HydrophobicContact CB-CH2 3.87Å; A342-W583 HydrophobicContact CB-CZ2 3.86Å; A342-W583 HydrophobicContact CB-CZ3 3.86Å; P358-W583 HydrophobicContact CB-CZ2 4Å; Q359-W583 VanDerWaalsContact O-CZ2 3.25Å; Q359-W583 WeakPolarHBondContact O-CZ2 3.45Å; P361-W583 HydrophobicContact CB-CD2 4.15Å; P361-W583 HydrophobicContact CB-CE3 4.32Å; P361-W583 HydrophobicContact CB-CH2 4.3Å; P361-W583 HydrophobicContact CB-CZ2 4.18Å; P361-W583 HydrophobicContact CB-CZ3 4.39Å; P361-W583 HydrophobicContact CG-CE3 4.31Å; P361-W583 HydrophobicContact CG-CH2 3.85Å; P361-W583 HydrophobicContact CG-CZ2 4.18Å; P361-W583 HydrophobicContact CG-CZ3 3.94Å; Y510-W583 HydrophobicContact CD1-CH2 4.42Å; Y510-W583 AromaticContact CD2-CH2 3.31Å; Y510-W583 HydrophobicContact CD2-CH2 3.31Å; Y510-W583 HydrophobicContact CD2-CZ2 4.46Å; Y510-W583 AromaticContact CD2-CZ3 3.76Å; Y510-W583 HydrophobicContact CD2-CZ3 3.76Å; Y510-W583 AromaticContact CE2-CH2 3.54Å; Y510-W583 HydrophobicContact CE2-CH2 3.54Å; Y510-W583 HydrophobicContact CE2-CZ2 4.33Å; Y510-W583 HydrophobicContact CE2-CZ3 4.39Å; Y510-W583 AromaticContact CG-CH2 3.78Å; Y510-W583 HydrophobicContact CG-CH2 3.78Å; Y510-W583 HydrophobicContact CG-CZ3 4.14Å; R564-W583 PolarHBondContact O-N 2.93Å
584	Y	84.6	Confident	64.1	Low	0 Å²	0	83.2 Å²	83.2	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.1	176.2	-49.1	-79.8	0	0	0	110.3	H341 R343 L562 R564 R582 E588 L593	H341-Y584 PolarHBondContact N-O 2.91Å; H341-Y584 PolarHBondContact O-N 2.75Å; R343-Y584 HydrophobicContact CB-CE2 4.01Å; L562-Y584 VanDerWaalsContact CD2-C 3.5Å; R564-Y584 HydrophobicContact CG-CE1 4.3Å; R564-Y584 PolarHBondContact NE-OH 3.38Å; R564-Y584 PolarHBondContact NH2-OH 3.31Å; R582-Y584 HydrophobicContact CB-CE2 3.84Å; R582-Y584 WeakPolarHBondContact CB-OH 3.36Å; R582-Y584 WeakPolarHBondContact CD-OH 3.47Å; R582-Y584 VanDerWaalsContact O-CE2 3.26Å; R582-Y584 WeakPolarHBondContact O-CE2 3.31Å; Y584-E588 VanDerWaalsContact CA-OE2 3.25Å; Y584-E588 WeakPolarHBondContact CA-OE2 3.35Å; Y584-L593 HydrophobicContact CD1-CD1 3.39Å; Y584-L593 HydrophobicContact CE1-CB 4.28Å; Y584-L593 HydrophobicContact CE1-CD1 3.62Å; Y584-L593 HydrophobicContact CG-CD1 4.35Å
585	S	82.9	Confident	64.4	Low	13 Å²	13	78 Å²	78	9%	0.091	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	157.2	165.8	-165.5	0	0	0	0	111.1	D587 E588	S585-D587 PolarHBondContact O-N 2.65Å; S585-D587 VanDerWaalsContact O-N 3.1Å; S585-E588 PolarHBondContact N-OE2 3.29Å; S585-E588 PolarHBondContact O-N 2.94Å
586	S	74.2	Confident	65.3	Low	63 Å²	63	73.2 Å²	73.2	44%	0.441	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-28.4	169	54.1	0	0	0	0	113.8	E339	E339-S586 PolarHBondContact O-N 2.99Å; E339-S586 VanDerWaalsContact O-N 3.17Å
587	D	67.6	Low	66	Low	142 Å²	142	73 Å²	73	76%	0.759	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.8	-172.7	-51.2	-19.6	0	0	0	113.2	S585	S585-D587 PolarHBondContact O-N 2.65Å; S585-D587 VanDerWaalsContact O-N 3.1Å
588	E	65.7	Low	67.2	Low	48 Å²	48	70.2 Å²	70.2	22%	0.224	37%	0.365	C	S	.	.	S	Bend	trans	-92.1	119.4	-178.3	-68.8	-175.4	94.4	0	0	112.3	Y584 S585 I590 L593 T602	Y584-E588 VanDerWaalsContact CA-OE2 3.25Å; Y584-E588 WeakPolarHBondContact CA-OE2 3.35Å; S585-E588 PolarHBondContact N-OE2 3.29Å; S585-E588 PolarHBondContact O-N 2.94Å; E588-I590 WeakPolarHBondContact O-CG1 3.44Å; E588-I590 PolarHBondContact O-N 3.49Å; E588-L593 HydrophobicContact CB-CD1 3.93Å; E588-T602 PolarHBondContact OE1-OG1 3.15Å
589	N	60.4	Low	68.8	Low	123 Å²	123	67.7 Å²	67.7	66%	0.658	35%	0.352	S	S	*	.			trans	-65.9	92.4	174.4	-90.7	-40.2	0	0	0	111.9	E591 Q592 L593	N589-E591 PolarHBondContact O-N 3.4Å; N589-E591 VanDerWaalsContact O-N 3.09Å; N589-Q592 PolarHBondContact O-N 3.08Å; N589-L593 WeakPolarHBondContact O-CG 3.07Å
590	I	60.7	Low	70.1	Confident	33 Å²	33	65.1 Å²	65.1	17%	0.169	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-55.2	-34.9	-166.8	-48.5	-179.7	0	0	0	113.6	E588 Q592 L593	E588-I590 WeakPolarHBondContact O-CG1 3.44Å; E588-I590 PolarHBondContact O-N 3.49Å; I590-Q592 PolarHBondContact O-N 2.82Å; I590-L593 WeakPolarHBondContact O-CB 3.44Å; I590-L593 WeakPolarHBondContact O-CG 3.35Å; I590-L593 PolarHBondContact O-N 3.11Å; I590-L593 VanDerWaalsContact O-N 3.07Å
591	E	56.6	Low	70.8	Confident	193 Å²	193	62.9 Å²	62.9	90%	0.902	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-58.9	-29.1	179.8	-61.7	-175.9	167.9	0	0	113.7	N589 L593	N589-E591 PolarHBondContact O-N 3.4Å; N589-E591 VanDerWaalsContact O-N 3.09Å; E591-L593 VanDerWaalsContact C-N 3.31Å; E591-L593 PolarHBondContact O-N 2.81Å
592	Q	52.3	Low	71.1	Confident	145 Å²	145	61.9 Å²	61.9	68%	0.678	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-82.6	-8.1	-179.3	-61.3	-176.1	-5.3	0	0	113.1	N589 I590	N589-Q592 PolarHBondContact O-N 3.08Å; I590-Q592 PolarHBondContact O-N 2.82Å
593	L	54.3	Low	71.2	Confident	13 Å²	13	62.3 Å²	62.3	7%	0.068	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-96.3	-3.5	-163.8	-47.8	-176.6	0	0	0	114.7	R564 Y584 E588 N589 I590 E591 T602	R564-L593 VanDerWaalsContact CZ-O 3.26Å; R564-L593 PolarHBondContact NH1-O 2.91Å; R564-L593 PolarHBondContact NH2-O 2.85Å; Y584-L593 HydrophobicContact CD1-CD1 3.39Å; Y584-L593 HydrophobicContact CE1-CB 4.28Å; Y584-L593 HydrophobicContact CE1-CD1 3.62Å; Y584-L593 HydrophobicContact CG-CD1 4.35Å; E588-L593 HydrophobicContact CB-CD1 3.93Å; N589-L593 WeakPolarHBondContact O-CG 3.07Å; I590-L593 WeakPolarHBondContact O-CB 3.44Å; I590-L593 WeakPolarHBondContact O-CG 3.35Å; I590-L593 PolarHBondContact O-N 3.11Å; I590-L593 VanDerWaalsContact O-N 3.07Å; E591-L593 VanDerWaalsContact C-N 3.31Å; E591-L593 PolarHBondContact O-N 2.81Å; L593-T602 HydrophobicContact CB-CG2 3.89Å; L593-T602 HydrophobicContact CD1-CG2 4.4Å; L593-T602 HydrophobicContact CD2-CG2 3.84Å; L593-T602 HydrophobicContact CG-CG2 4.24Å
594	E	55.7	Low	71.4	Confident	110 Å²	110	68.7 Å²	68.7	51%	0.514	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-80	-22.3	-174.1	-67.3	-99.9	108.7	0	0	113.1	R582 H596	R582-E594 IonicContact NH1-OE1 2.66Å; E594-H596 PolarHBondContact O-N 2.86Å; E594-H596 VanDerWaalsContact O-N 3.12Å
595	T	52.4	Low	71.7	Confident	103 Å²	103	70.3 Å²	70.3	63%	0.632	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-60	-23.9	-173.8	54.4	0	0	0	0	115.2
596	H	58.5	Low	72.1	Confident	72 Å²	72	71.6 Å²	71.6	33%	0.333	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-126.7	50.4	-170.2	-60.5	-27.5	0	0	0	112.6	E594 E598 C599 Y606	E594-H596 PolarHBondContact O-N 2.86Å; E594-H596 VanDerWaalsContact O-N 3.12Å; H596-E598 PolarHBondContact O-N 2.82Å; H596-C599 PolarHBondContact O-N 3Å; H596-Y606 HydrophobicContact CB-CD2 4.12Å; H596-Y606 HydrophobicContact CB-CE2 3.81Å; H596-Y606 AromaticContact CD2-CD1 3.4Å; H596-Y606 VanDerWaalsContact CD2-CD1 3.4Å; H596-Y606 WeakPolarHBondContact CD2-CD1 3.49Å; H596-Y606 AromaticContact CD2-CD2 3.93Å; H596-Y606 AromaticContact CD2-CE1 3.15Å; H596-Y606 WeakPolarHBondContact CD2-CE1 3.43Å; H596-Y606 AromaticContact CD2-CE2 3.72Å; H596-Y606 AromaticContact CD2-CG 3.79Å; H596-Y606 AromaticContact CD2-CZ 3.31Å; H596-Y606 AromaticContact CE1-CE1 3.98Å; H596-Y606 AromaticContact CE1-CZ 3.99Å; H596-Y606 AromaticContact CG-CE1 3.88Å; H596-Y606 AromaticContact CG-CE2 3.73Å; H596-Y606 AromaticContact CG-CZ 3.53Å; H596-Y606 AromaticContact ND1-CZ 3.95Å; H596-Y606 AromaticContact NE2-CD1 3.79Å; H596-Y606 AromaticContact NE2-CE1 3.22Å; H596-Y606 WeakPolarHBondContact NE2-CE1 3.1Å; H596-Y606 AromaticContact NE2-CZ 3.62Å
597	S	64.9	Low	73	Confident	74 Å²	74	73.4 Å²	73.4	52%	0.517	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-18.4	-172.9	62.7	0	0	0	0	117.3
598	E	78.6	Confident	74.3	Confident	94 Å²	94	69.4 Å²	69.4	44%	0.439	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-15.2	176.3	-72.4	-157.2	140.5	0	0	115	H596 Y662 R666 K668	H596-E598 PolarHBondContact O-N 2.82Å; E598-Y662 PolarHBondContact OE2-OH 3.21Å; E598-R666 IonicContact OE2-CZ 3.12Å; E598-R666 IonicContact OE2-NE 2.67Å; E598-R666 PolarHBondContact OE2-NE 3.01Å; E598-R666 IonicContact OE2-NH2 2.83Å; E598-R666 PolarHBondContact OE2-NH2 3Å; E598-K668 WeakPolarHBondContact O-CE 3.25Å; E598-K668 PolarHBondContact O-NZ 2.87Å
599	C	88.3	Confident	75.7	Confident	6 Å²	6	67.1 Å²	67.1	4%	0.041	35%	0.35	C	S	.	.			trans	-93.2	151	-174.4	-154.9	0	0	0	0	112.7	H596 Y606 R666	H596-C599 PolarHBondContact O-N 3Å; C599-Y606 HydrophobicContact CB-CD2 3.83Å; C599-Y606 HydrophobicContact CB-CE2 3.97Å; C599-R666 PolarHBondContact SG-O 3.33Å; C599-R666 VanDerWaalsContact SG-O 3.33Å
600	E	89.6	Confident	77.4	Confident	11 Å²	11	61.8 Å²	61.8	5%	0.051	32%	0.322	C	S	.	.	S	Bend	trans	-76	-27.8	169.8	-70.8	-62.7	124.4	0	0	113.2	L545 G563 R564 S565 R666 K668	L545-E600 HydrophobicContact CD1-CB 4.24Å; G563-E600 VanDerWaalsContact C-OE2 3.28Å; G563-E600 WeakPolarHBondContact CA-O 3.22Å; R564-E600 WeakPolarHBondContact CG-O 3.15Å; R564-E600 PolarHBondContact N-O 2.83Å; R564-E600 PolarHBondContact N-OE2 3.12Å; S565-E600 WeakPolarHBondContact CB-OE1 3.34Å; S565-E600 VanDerWaalsContact CB-OE2 3.28Å; S565-E600 WeakPolarHBondContact CB-OE2 2.98Å; S565-E600 PolarHBondContact N-OE2 3.44Å; S565-E600 PolarHBondContact OG-OE1 3.21Å; S565-E600 PolarHBondContact OG-OE2 2.84Å; E600-R666 PolarHBondContact N-O 3.45Å; E600-K668 HydrophobicContact CG-CB 4.44Å; E600-K668 HydrophobicContact CG-CD 4.46Å; E600-K668 HydrophobicContact CG-CG 3.47Å; E600-K668 VanDerWaalsContact CG-CG 3.47Å; E600-K668 WeakPolarHBondContact OE1-CE 3.18Å; E600-K668 IonicContact OE1-NZ 3.28Å
601	L	90.6	Very high	79.1	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.339	C	S	.	.			trans	-104.3	157.5	-175.4	-61.4	-179.3	0	0	0	111.9	L545 L561 E605 L609	L545-L601 HydrophobicContact CD1-CD2 4.3Å; L545-L601 HydrophobicContact CD2-CD1 4.07Å; L545-L601 HydrophobicContact CD2-CD2 3.94Å; L545-L601 HydrophobicContact CD2-CG 4.04Å; L561-L601 HydrophobicContact CB-CD2 4.16Å; L561-L601 HydrophobicContact CD1-CD1 4.36Å; L561-L601 HydrophobicContact CD2-CD1 4.12Å; L561-L601 HydrophobicContact CD2-CD2 4.1Å; L601-E605 HydrophobicContact CB-CB 4.18Å; L601-E605 HydrophobicContact CD1-CB 4.24Å; L601-L609 HydrophobicContact CD1-CB 4.25Å; L601-L609 HydrophobicContact CD1-CD2 4.08Å
602	T	85.5	Confident	80.9	Confident	8 Å²	8	56.5 Å²	56.5	5%	0.049	30%	0.3	C	S	.	.			trans	-131.1	167.9	-173.7	23.9	0	0	0	0	111.4	E588 L593 E605 Y606	E588-T602 PolarHBondContact OE1-OG1 3.15Å; L593-T602 HydrophobicContact CB-CG2 3.89Å; L593-T602 HydrophobicContact CD1-CG2 4.4Å; L593-T602 HydrophobicContact CD2-CG2 3.84Å; L593-T602 HydrophobicContact CG-CG2 4.24Å; T602-E605 WeakPolarHBondContact O-CB 3.46Å; T602-E605 PolarHBondContact O-N 3.01Å; T602-Y606 PolarHBondContact O-N 3.5Å
603	G	85.9	Confident	83.1	Confident	52 Å²	52	52.4 Å²	52.4	54%	0.536	29%	0.286	S	S	.	.	H	α-helix	trans	50.4	-135.7	174.6	0	0	0	0	0	115.2	E605 Y606 Q607	G603-E605 PolarHBondContact O-N 3.16Å; G603-Y606 WeakPolarHBondContact O-CB 3.34Å; G603-Y606 PolarHBondContact O-N 3.12Å; G603-Q607 PolarHBondContact O-N 3.01Å; G603-Q607 VanDerWaalsContact O-N 3.14Å
604	D	89.3	Confident	85.1	Confident	139 Å²	139	51.9 Å²	51.9	74%	0.743	28%	0.283	S	S	*	.	H	α-helix	trans	-60.2	-26.3	176.9	-73.2	-13.1	0	0	0	113.1	Q607 W608	D604-Q607 PolarHBondContact O-N 2.72Å; D604-W608 VanDerWaalsContact O-CB 3.23Å; D604-W608 WeakPolarHBondContact O-CB 3.41Å; D604-W608 PolarHBondContact O-N 3.34Å
605	E	91.6	Very high	87	Confident	35 Å²	35	49.6 Å²	49.6	16%	0.164	28%	0.277	C	S	.	.	H	α-helix	trans	-76.7	-37.8	-178.2	-44.1	-148.1	121.4	0	0	111.5	Y559 L561 L601 T602 G603 L609	Y559-E605 WeakPolarHBondContact CE1-OE1 3.43Å; Y559-E605 VanDerWaalsContact CZ-OE1 3.26Å; Y559-E605 PolarHBondContact OH-OE1 3.18Å; L561-E605 HydrophobicContact CD2-CB 4.16Å; L561-E605 VanDerWaalsContact CD2-CD 3.4Å; L561-E605 HydrophobicContact CD2-CG 4.35Å; L561-E605 WeakPolarHBondContact CD2-OE1 3.44Å; L561-E605 WeakPolarHBondContact CD2-OE2 3.36Å; L601-E605 HydrophobicContact CB-CB 4.18Å; L601-E605 HydrophobicContact CD1-CB 4.24Å; T602-E605 WeakPolarHBondContact O-CB 3.46Å; T602-E605 PolarHBondContact O-N 3.01Å; G603-E605 PolarHBondContact O-N 3.16Å; E605-L609 WeakPolarHBondContact O-CB 3.47Å; E605-L609 PolarHBondContact O-N 3.04Å
606	Y	91.7	Very high	89	Confident	40 Å²	40	48.2 Å²	48.2	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-47.7	166.4	172.3	-92.6	0	0	0	111.1	H596 C599 T602 G603 L609 C610 M641	H596-Y606 HydrophobicContact CB-CD2 4.12Å; H596-Y606 HydrophobicContact CB-CE2 3.81Å; H596-Y606 AromaticContact CD2-CD1 3.4Å; H596-Y606 VanDerWaalsContact CD2-CD1 3.4Å; H596-Y606 WeakPolarHBondContact CD2-CD1 3.49Å; H596-Y606 AromaticContact CD2-CD2 3.93Å; H596-Y606 AromaticContact CD2-CE1 3.15Å; H596-Y606 WeakPolarHBondContact CD2-CE1 3.43Å; H596-Y606 AromaticContact CD2-CE2 3.72Å; H596-Y606 AromaticContact CD2-CG 3.79Å; H596-Y606 AromaticContact CD2-CZ 3.31Å; H596-Y606 AromaticContact CE1-CE1 3.98Å; H596-Y606 AromaticContact CE1-CZ 3.99Å; H596-Y606 AromaticContact CG-CE1 3.88Å; H596-Y606 AromaticContact CG-CE2 3.73Å; H596-Y606 AromaticContact CG-CZ 3.53Å; H596-Y606 AromaticContact ND1-CZ 3.95Å; H596-Y606 AromaticContact NE2-CD1 3.79Å; H596-Y606 AromaticContact NE2-CE1 3.22Å; H596-Y606 WeakPolarHBondContact NE2-CE1 3.1Å; H596-Y606 AromaticContact NE2-CZ 3.62Å; C599-Y606 HydrophobicContact CB-CD2 3.83Å; C599-Y606 HydrophobicContact CB-CE2 3.97Å; T602-Y606 PolarHBondContact O-N 3.5Å; G603-Y606 WeakPolarHBondContact O-CB 3.34Å; G603-Y606 PolarHBondContact O-N 3.12Å; Y606-L609 PolarHBondContact O-N 2.96Å; Y606-C610 WeakPolarHBondContact CE1-SG 3.18Å; Y606-C610 WeakPolarHBondContact O-CB 3.48Å; Y606-C610 PolarHBondContact O-N 3.04Å; Y606-C610 PolarHBondContact O-SG 3.46Å; Y606-M641 HydrophobicContact CE2-CE 4.33Å
607	Q	93	Very high	90.7	Very high	100 Å²	100	44.9 Å²	44.9	47%	0.467	25%	0.248	S	C	.	.	H	α-helix	trans	-69.1	-36.5	-177.2	-174.4	62.5	-9.2	0	0	112	G603 D604 C610 N611	G603-Q607 PolarHBondContact O-N 3.01Å; G603-Q607 VanDerWaalsContact O-N 3.14Å; D604-Q607 PolarHBondContact O-N 2.72Å; Q607-C610 WeakPolarHBondContact O-CB 3.43Å; Q607-C610 PolarHBondContact O-N 3.4Å; Q607-N611 PolarHBondContact O-N 3.23Å; Q607-N611 VanDerWaalsContact O-N 3.13Å; Q607-N611 PolarHBondContact O-ND2 3.4Å
608	W	95	Very high	92	Very high	59 Å²	59	42.9 Å²	42.9	22%	0.223	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-49.3	169.1	175	79.5	0	0	0	111.7	L548 K552 L561 D604 C610 N611 L612	L548-W608 HydrophobicContact CB-CH2 4.06Å; L548-W608 HydrophobicContact CB-CZ3 4.21Å; L548-W608 HydrophobicContact CD2-CH2 4.44Å; L548-W608 WeakPolarHBondContact O-CH2 3.48Å; K552-W608 HydrophobicContact CB-CH2 4.2Å; K552-W608 HydrophobicContact CB-CZ2 3.83Å; K552-W608 HydrophobicContact CD-CD2 4.27Å; K552-W608 HydrophobicContact CD-CZ2 4.15Å; K552-W608 HydrophobicContact CG-CZ2 4.16Å; L561-W608 HydrophobicContact CD1-CZ3 4.13Å; D604-W608 VanDerWaalsContact O-CB 3.23Å; D604-W608 WeakPolarHBondContact O-CB 3.41Å; D604-W608 PolarHBondContact O-N 3.34Å; W608-C610 VanDerWaalsContact C-N 3.35Å; W608-C610 PolarHBondContact O-N 3.06Å; W608-N611 PolarHBondContact O-N 2.87Å; W608-N611 VanDerWaalsContact O-N 3.14Å; W608-L612 HydrophobicContact CE3-CD1 4.28Å; W608-L612 HydrophobicContact CH2-CD1 3.86Å; W608-L612 HydrophobicContact CZ2-CD1 4.08Å; W608-L612 HydrophobicContact CZ2-CD2 4.05Å; W608-L612 HydrophobicContact CZ2-CG 4.44Å; W608-L612 HydrophobicContact CZ3-CD1 3.96Å; W608-L612 PolarHBondContact O-N 2.81Å; W608-L612 VanDerWaalsContact O-N 3.12Å
609	L	95.1	Very high	92.5	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-43.4	175.9	174.8	60.1	0	0	0	111.7	L548 L601 E605 Y606 N611 L612 I617 C637	L548-L609 HydrophobicContact CD1-CD1 4.44Å; L601-L609 HydrophobicContact CD1-CB 4.25Å; L601-L609 HydrophobicContact CD1-CD2 4.08Å; E605-L609 WeakPolarHBondContact O-CB 3.47Å; E605-L609 PolarHBondContact O-N 3.04Å; Y606-L609 PolarHBondContact O-N 2.96Å; L609-N611 PolarHBondContact O-N 2.87Å; L609-L612 HydrophobicContact CD1-CD1 4.13Å; L609-L612 WeakPolarHBondContact O-CB 3.21Å; L609-L612 PolarHBondContact O-N 3.49Å; L609-L612 VanDerWaalsContact O-N 3.14Å; L609-I617 HydrophobicContact CD1-CD1 4.04Å; L609-C637 HydrophobicContact CD1-CB 4.44Å; L609-C637 WeakPolarHBondContact O-CB 3.49Å
610	C	95.3	Very high	92.9	Very high	10 Å²	10	44 Å²	44	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-56.5	-37.2	175.7	-81.7	0	0	0	0	113	Y606 Q607 W608 T636 G638 M641	Y606-C610 WeakPolarHBondContact CE1-SG 3.18Å; Y606-C610 WeakPolarHBondContact O-CB 3.48Å; Y606-C610 PolarHBondContact O-N 3.04Å; Y606-C610 PolarHBondContact O-SG 3.46Å; Q607-C610 WeakPolarHBondContact O-CB 3.43Å; Q607-C610 PolarHBondContact O-N 3.4Å; W608-C610 VanDerWaalsContact C-N 3.35Å; W608-C610 PolarHBondContact O-N 3.06Å; C610-T636 VanDerWaalsContact O-CB 3.31Å; C610-T636 WeakPolarHBondContact O-CB 3.24Å; C610-T636 PolarHBondContact O-OG1 2.96Å; C610-T636 VanDerWaalsContact O-OG1 3.07Å; C610-G638 WeakPolarHBondContact O-CA 3.48Å; C610-G638 PolarHBondContact O-N 2.57Å; C610-M641 WeakPolarHBondContact SG-CE 3.38Å
611	N	96.5	Very high	93	Very high	100 Å²	100	45.4 Å²	45.4	54%	0.535	26%	0.259	S	S	.	.	H	α-helix	trans	-81.2	-17.5	179.7	-71.2	-30.4	0	0	0	114	Q607 W608 L609 P613	Q607-N611 PolarHBondContact O-N 3.23Å; Q607-N611 VanDerWaalsContact O-N 3.13Å; Q607-N611 PolarHBondContact O-ND2 3.4Å; W608-N611 PolarHBondContact O-N 2.87Å; W608-N611 VanDerWaalsContact O-N 3.14Å; L609-N611 PolarHBondContact O-N 2.87Å; N611-P613 WeakPolarHBondContact O-CD 3.44Å
612	L	96	Very high	93.2	Very high	16 Å²	16	56.1 Å²	56.1	8%	0.084	30%	0.3	C	S	.	.	S	Bend	trans	-60.8	126.5	178.2	-73.7	-178.9	0	0	0	111.8	L548 W608 L609 I617 T636 C637	L548-L612 HydrophobicContact CD2-CD1 3.95Å; W608-L612 HydrophobicContact CE3-CD1 4.28Å; W608-L612 HydrophobicContact CH2-CD1 3.86Å; W608-L612 HydrophobicContact CZ2-CD1 4.08Å; W608-L612 HydrophobicContact CZ2-CD2 4.05Å; W608-L612 HydrophobicContact CZ2-CG 4.44Å; W608-L612 HydrophobicContact CZ3-CD1 3.96Å; W608-L612 PolarHBondContact O-N 2.81Å; W608-L612 VanDerWaalsContact O-N 3.12Å; L609-L612 HydrophobicContact CD1-CD1 4.13Å; L609-L612 WeakPolarHBondContact O-CB 3.21Å; L609-L612 PolarHBondContact O-N 3.49Å; L609-L612 VanDerWaalsContact O-N 3.14Å; L612-I617 HydrophobicContact CD1-CD1 4.06Å; L612-T636 CarbonylContact O-C 3.51Å; L612-T636 VanDerWaalsContact O-CA 3.28Å; L612-T636 WeakPolarHBondContact O-CA 3.14Å; L612-T636 WeakPolarHBondContact O-CB 3.17Å; L612-C637 PolarHBondContact O-N 3.49Å; L612-C637 PolarHBondContact O-SG 3.3Å; L612-C637 VanDerWaalsContact O-SG 3.38Å
613	P	97	Very high	93.6	Very high	59 Å²	59	59.9 Å²	59.9	38%	0.383	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-60	145.7	170.1	-20.1	30.9	0	0	0	111.2	N611 T615 E616 K635	N611-P613 WeakPolarHBondContact O-CD 3.44Å; P613-T615 PolarHBondContact O-N 3.31Å; P613-E616 HydrophobicContact CB-CG 4.14Å; P613-E616 HydrophobicContact CG-CG 4.14Å; P613-E616 WeakPolarHBondContact O-CB 3.4Å; P613-E616 PolarHBondContact O-N 3Å; P613-K635 CarbonylContact C-O 3.54Å; P613-K635 WeakPolarHBondContact CA-O 3.47Å
614	L	97	Very high	94	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-58.8	-26.7	-177.5	-69	175.9	0	0	0	113.2	E616 I620 A625 I628 A634 K635 L640 C665	L614-E616 PolarHBondContact O-N 3.4Å; L614-I620 HydrophobicContact CB-CG2 4.31Å; L614-I620 WeakPolarHBondContact O-CB 3.37Å; L614-I620 VanDerWaalsContact O-CG2 3.26Å; L614-I620 WeakPolarHBondContact O-CG2 3.38Å; L614-A625 HydrophobicContact CB-CB 4.2Å; L614-I628 HydrophobicContact CD1-CB 4.21Å; L614-I628 HydrophobicContact CD1-CD1 4.15Å; L614-I628 HydrophobicContact CD1-CG2 3.66Å; L614-A634 WeakPolarHBondContact CD1-O 3.33Å; L614-K635 WeakPolarHBondContact CG-O 3.44Å; L614-K635 PolarHBondContact N-O 3.18Å; L614-L640 HydrophobicContact CD1-CD1 4.08Å; L614-L640 HydrophobicContact CD2-CB 4.13Å; L614-L640 HydrophobicContact CD2-CD1 3.76Å; L614-C665 VanDerWaalsContact CD2-SG 3.52Å
615	T	95.4	Very high	94.4	Very high	61 Å²	61	53.4 Å²	53.4	37%	0.374	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-68.6	-17.2	175.5	51.6	0	0	0	0	114.4	P613 I620 R622 A625	P613-T615 PolarHBondContact O-N 3.31Å; T615-I620 WeakPolarHBondContact CA-O 3.33Å; T615-R622 HydrophobicContact CG2-CG 4.36Å; T615-A625 HydrophobicContact CG2-CB 3.79Å
616	E	94.1	Very high	94.6	Very high	74 Å²	74	53 Å²	53	35%	0.346	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-87.9	-12.5	-175.9	-60.5	-39.5	116.3	0	0	113.4	K551 P613 L614	K551-E616 WeakPolarHBondContact CE-OE2 3.3Å; K551-E616 PolarHBondContact NZ-O 3.03Å; K551-E616 VanDerWaalsContact NZ-O 3.13Å; K551-E616 IonicContact NZ-OE2 2.7Å; K551-E616 PolarHBondContact NZ-OE2 3.19Å; P613-E616 HydrophobicContact CB-CG 4.14Å; P613-E616 HydrophobicContact CG-CG 4.14Å; P613-E616 WeakPolarHBondContact O-CB 3.4Å; P613-E616 PolarHBondContact O-N 3Å; L614-E616 PolarHBondContact O-N 3.4Å
617	I	95	Very high	94.8	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.015	30%	0.301	C	S	.	.	S	Bend	trans	-82.2	133.1	176.4	-59.7	-57.3	0	0	0	110.4	L548 L609 L612 N619 I620 C637 A664	L548-I617 HydrophobicContact CD2-CD1 4.09Å; L609-I617 HydrophobicContact CD1-CD1 4.04Å; L612-I617 HydrophobicContact CD1-CD1 4.06Å; I617-N619 PolarHBondContact O-N 3.16Å; I617-I620 HydrophobicContact CB-CB 4.48Å; I617-I620 HydrophobicContact CB-CD1 3.86Å; I617-I620 HydrophobicContact CB-CG1 4.13Å; I617-I620 HydrophobicContact CG2-CD1 3.68Å; I617-I620 HydrophobicContact CG2-CG1 3.98Å; I617-I620 PolarHBondContact O-N 3.49Å; I617-I620 VanDerWaalsContact O-N 3.08Å; I617-C637 WeakPolarHBondContact CG1-SG 3.08Å; I617-A664 HydrophobicContact CG2-CB 3.79Å
618	P	91.8	Very high	95	Very high	32 Å²	32	51.4 Å²	51.4	21%	0.208	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	137	179.3	-29.2	37.3	0	0	0	113.7	L544 R547 I620	L544-P618 HydrophobicContact CD1-CG 3.86Å; R547-P618 HydrophobicContact CG-CG 4.43Å; P618-I620 PolarHBondContact O-N 3.28Å
619	N	89.9	Confident	95.1	Very high	116 Å²	116	52.8 Å²	52.8	62%	0.62	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	-8.6	-174.6	-50.5	-88.4	0	0	0	116.8	I617 G621	I617-N619 PolarHBondContact O-N 3.16Å; N619-G621 PolarHBondContact O-N 2.88Å; N619-G621 VanDerWaalsContact O-N 3.13Å
620	I	94.8	Very high	95.2	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	32%	0.318	C	S	.	.			trans	-90.3	73.7	-179.8	-49.7	-170.1	0	0	0	110.9	L614 T615 I617 P618 L624 A625 V661	L614-I620 HydrophobicContact CB-CG2 4.31Å; L614-I620 WeakPolarHBondContact O-CB 3.37Å; L614-I620 VanDerWaalsContact O-CG2 3.26Å; L614-I620 WeakPolarHBondContact O-CG2 3.38Å; T615-I620 WeakPolarHBondContact CA-O 3.33Å; I617-I620 HydrophobicContact CB-CB 4.48Å; I617-I620 HydrophobicContact CB-CD1 3.86Å; I617-I620 HydrophobicContact CB-CG1 4.13Å; I617-I620 HydrophobicContact CG2-CD1 3.68Å; I617-I620 HydrophobicContact CG2-CG1 3.98Å; I617-I620 PolarHBondContact O-N 3.49Å; I617-I620 VanDerWaalsContact O-N 3.08Å; P618-I620 PolarHBondContact O-N 3.28Å; I620-L624 HydrophobicContact CG2-CB 4.1Å; I620-A625 HydrophobicContact CG2-CB 4.46Å; I620-V661 HydrophobicContact CD1-CB 4.33Å; I620-V661 HydrophobicContact CD1-CG1 4.02Å; I620-V661 HydrophobicContact CD1-CG2 3.97Å; I620-V661 HydrophobicContact CG1-CG2 4.18Å
621	G	92.7	Very high	95.2	Very high	42 Å²	42	61.4 Å²	61.4	43%	0.433	33%	0.334	S	S	.	.			trans	-65.2	160.2	176.9	0	0	0	0	0	113.8	N619 S623 L624 A625	N619-G621 PolarHBondContact O-N 2.88Å; N619-G621 VanDerWaalsContact O-N 3.13Å; G621-S623 PolarHBondContact O-N 2.8Å; G621-L624 PolarHBondContact O-N 2.96Å; G621-A625 PolarHBondContact O-N 2.97Å
622	R	93.8	Very high	95.2	Very high	224 Å²	224	58.8 Å²	58.8	85%	0.845	32%	0.318	S	S	*	.	H	α-helix	trans	-42.5	-35.1	-179.3	-69.1	-177	-74.5	175.7	-5	115.6	T615 G626	T615-R622 HydrophobicContact CG2-CG 4.36Å; R622-G626 PolarHBondContact O-N 2.85Å
623	S	94.6	Very high	95.2	Very high	87 Å²	87	62 Å²	62	61%	0.608	34%	0.335	S	S	*	.	H	α-helix	trans	-73.1	-31.5	178.2	-177	0	0	0	0	113.9	G621 K627	G621-S623 PolarHBondContact O-N 2.8Å; S623-K627 WeakPolarHBondContact O-CG 3.4Å; S623-K627 PolarHBondContact O-N 2.63Å
624	L	95.2	Very high	95.2	Very high	42 Å²	42	59.1 Å²	59.1	22%	0.22	32%	0.317	C	S	.	.	H	α-helix	trans	-74.9	-48.8	173.5	-69.4	173.6	0	0	0	110.3	I620 G621 G626 K627 I628 L653 T657	I620-L624 HydrophobicContact CG2-CB 4.1Å; G621-L624 PolarHBondContact O-N 2.96Å; L624-G626 VanDerWaalsContact C-N 3.31Å; L624-G626 PolarHBondContact O-N 2.93Å; L624-K627 PolarHBondContact O-N 3.28Å; L624-K627 VanDerWaalsContact O-N 3.14Å; L624-I628 WeakPolarHBondContact O-CG1 3.4Å; L624-I628 PolarHBondContact O-N 2.67Å; L624-L653 HydrophobicContact CD2-CD2 4.04Å; L624-T657 HydrophobicContact CD1-CG2 4.25Å; L624-T657 HydrophobicContact CD2-CG2 4.1Å
625	A	96.5	Very high	95.1	Very high	14 Å²	14	64.9 Å²	64.9	12%	0.116	34%	0.341	C	S	.	.	H	α-helix	trans	-55.5	-45.3	174.8	0	0	0	0	0	111.7	L614 T615 I620 G621 K627 I628 F629	L614-A625 HydrophobicContact CB-CB 4.2Å; T615-A625 HydrophobicContact CG2-CB 3.79Å; I620-A625 HydrophobicContact CG2-CB 4.46Å; G621-A625 PolarHBondContact O-N 2.97Å; A625-K627 PolarHBondContact O-N 3.11Å; A625-I628 PolarHBondContact O-N 2.64Å; A625-F629 WeakPolarHBondContact O-CB 3.26Å; A625-F629 PolarHBondContact O-N 2.84Å
626	G	96.6	Very high	95.2	Very high	26 Å²	26	63.4 Å²	63.4	27%	0.268	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-38.6	176.3	0	0	0	0	0	114.2	R622 L624 Q630	R622-G626 PolarHBondContact O-N 2.85Å; L624-G626 VanDerWaalsContact C-N 3.31Å; L624-G626 PolarHBondContact O-N 2.93Å; G626-Q630 WeakPolarHBondContact O-CB 3.23Å; G626-Q630 WeakPolarHBondContact O-CG 3.41Å; G626-Q630 PolarHBondContact O-N 3.14Å
627	K	96.3	Very high	95.3	Very high	107 Å²	107	59.9 Å²	59.9	47%	0.465	32%	0.316	S	S	.	.	H	α-helix	trans	-67.4	-40	174.5	-76.9	175.6	179	-174.4	0	112.6	S623 L624 A625 A631 L653	S623-K627 WeakPolarHBondContact O-CG 3.4Å; S623-K627 PolarHBondContact O-N 2.63Å; L624-K627 PolarHBondContact O-N 3.28Å; L624-K627 VanDerWaalsContact O-N 3.14Å; A625-K627 PolarHBondContact O-N 3.11Å; K627-A631 WeakPolarHBondContact O-CB 3.45Å; K627-A631 PolarHBondContact O-N 3.27Å; K627-L653 HydrophobicContact CB-CD2 4.41Å; K627-L653 HydrophobicContact CD-CD2 4.45Å
628	I	96.8	Very high	95.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-47.6	177.7	-66.4	163.7	0	0	0	109.8	L614 L624 A625 Q630 A631 F632 A634 L640 I649 L653 V661	L614-I628 HydrophobicContact CD1-CB 4.21Å; L614-I628 HydrophobicContact CD1-CD1 4.15Å; L614-I628 HydrophobicContact CD1-CG2 3.66Å; L624-I628 WeakPolarHBondContact O-CG1 3.4Å; L624-I628 PolarHBondContact O-N 2.67Å; A625-I628 PolarHBondContact O-N 2.64Å; I628-Q630 PolarHBondContact O-N 2.9Å; I628-A631 PolarHBondContact O-N 3.31Å; I628-A631 VanDerWaalsContact O-N 3.16Å; I628-F632 HydrophobicContact CG2-CD2 4.42Å; I628-F632 PolarHBondContact O-N 3.13Å; I628-A634 HydrophobicContact CG2-CB 3.99Å; I628-L640 HydrophobicContact CD1-CD1 4.15Å; I628-L640 HydrophobicContact CG2-CD1 4.11Å; I628-I649 HydrophobicContact CD1-CD1 4.26Å; I628-I649 HydrophobicContact CG1-CD1 3.94Å; I628-L653 HydrophobicContact CD1-CD1 4.1Å; I628-L653 HydrophobicContact CG1-CD1 4.13Å; I628-V661 HydrophobicContact CD1-CG1 3.99Å
629	F	96.9	Very high	95.6	Very high	87 Å²	87	62 Å²	62	38%	0.382	33%	0.326	S	S	.	.	H	α-helix	trans	-58.2	-47.9	176.2	174.2	-118	0	0	0	111.9	A625 A631 D633 K635	A625-F629 WeakPolarHBondContact O-CB 3.26Å; A625-F629 PolarHBondContact O-N 2.84Å; F629-A631 PolarHBondContact O-N 3.08Å; F629-D633 VanDerWaalsContact CE2-OD1 3.31Å; F629-D633 WeakPolarHBondContact CE2-OD1 3.34Å; F629-D633 WeakPolarHBondContact O-CA 3.23Å; F629-D633 PolarHBondContact O-N 3.21Å; F629-K635 HydrophobicContact CD2-CD 4.41Å; F629-K635 HydrophobicContact CD2-CG 3.73Å; F629-K635 HydrophobicContact CE2-CD 4.26Å; F629-K635 HydrophobicContact CE2-CG 4.07Å
630	Q	96.3	Very high	95.8	Very high	143 Å²	143	56.5 Å²	56.5	67%	0.668	30%	0.297	S	S	*	.	H	α-helix	trans	-63.2	-21.5	177.2	-76.4	173.4	-10.4	0	0	114.7	G626 I628	G626-Q630 WeakPolarHBondContact O-CB 3.23Å; G626-Q630 WeakPolarHBondContact O-CG 3.41Å; G626-Q630 PolarHBondContact O-N 3.14Å; I628-Q630 PolarHBondContact O-N 2.9Å
631	A	96.5	Very high	95.8	Very high	48 Å²	48	57.5 Å²	57.5	40%	0.397	30%	0.302	S	S	.	.	H	α-helix	trans	-100.6	-30.6	-177.1	0	0	0	0	0	113.9	K627 I628 F629 L652	K627-A631 WeakPolarHBondContact O-CB 3.45Å; K627-A631 PolarHBondContact O-N 3.27Å; I628-A631 PolarHBondContact O-N 3.31Å; I628-A631 VanDerWaalsContact O-N 3.16Å; F629-A631 PolarHBondContact O-N 3.08Å; A631-L652 HydrophobicContact CB-CD1 3.98Å; A631-L652 HydrophobicContact CB-CD2 3.58Å; A631-L652 HydrophobicContact CB-CG 4.42Å
632	F	96.2	Very high	95.8	Very high	46 Å²	46	60.1 Å²	60.1	20%	0.202	31%	0.314	C	S	.	.	H	α-helix	trans	-139.3	1.3	-167.7	-53.4	-56.2	0	0	0	115	I628 A634 K643 V644 Q648 I649 L652	I628-F632 HydrophobicContact CG2-CD2 4.42Å; I628-F632 PolarHBondContact O-N 3.13Å; F632-A634 PolarHBondContact O-N 2.82Å; F632-K643 WeakPolarHBondContact O-CD 3.5Å; F632-V644 HydrophobicContact CB-CG2 3.65Å; F632-V644 HydrophobicContact CD1-CG1 4.47Å; F632-V644 HydrophobicContact CD1-CG2 4.38Å; F632-V644 HydrophobicContact CD2-CB 4.38Å; F632-V644 HydrophobicContact CD2-CG1 3.69Å; F632-V644 HydrophobicContact CD2-CG2 3.66Å; F632-V644 HydrophobicContact CE1-CG1 4.39Å; F632-V644 HydrophobicContact CE2-CG1 3.56Å; F632-V644 HydrophobicContact CE2-CG2 4.4Å; F632-V644 HydrophobicContact CG-CG1 4.17Å; F632-V644 HydrophobicContact CG-CG2 3.65Å; F632-V644 HydrophobicContact CZ-CG1 3.96Å; F632-Q648 HydrophobicContact CE1-CB 4.03Å; F632-Q648 HydrophobicContact CE1-CG 4.44Å; F632-Q648 HydrophobicContact CZ-CB 3.78Å; F632-I649 HydrophobicContact CE2-CD1 4.32Å; F632-L652 HydrophobicContact CD2-CD2 4.15Å; F632-L652 HydrophobicContact CE2-CB 4.28Å; F632-L652 HydrophobicContact CE2-CD2 3.5Å; F632-L652 HydrophobicContact CE2-CG 4.49Å; F632-L652 HydrophobicContact CZ-CB 4.35Å; F632-L652 HydrophobicContact CZ-CD2 4.17Å
633	D	96.1	Very high	95.8	Very high	82 Å²	82	53.9 Å²	53.9	44%	0.439	29%	0.292	S	S	.	.			trans	50.1	44.6	-172.6	-179.4	51	0	0	0	112.6	F629 K643	F629-D633 VanDerWaalsContact CE2-OD1 3.31Å; F629-D633 WeakPolarHBondContact CE2-OD1 3.34Å; F629-D633 WeakPolarHBondContact O-CA 3.23Å; F629-D633 PolarHBondContact O-N 3.21Å; D633-K643 PolarHBondContact O-NZ 2.91Å; D633-K643 IonicContact OD2-NZ 3.7Å; D633-K643 PolarHBondContact OD2-NZ 3.27Å
634	A	95.9	Very high	95.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.265	C	S	.	.			trans	-110.2	117.7	174.2	0	0	0	0	0	110	L614 I628 F632 Q639 L640	L614-A634 WeakPolarHBondContact CD1-O 3.33Å; I628-A634 HydrophobicContact CG2-CB 3.99Å; F632-A634 PolarHBondContact O-N 2.82Å; A634-Q639 HydrophobicContact CB-CB 4.07Å; A634-L640 HydrophobicContact CB-CB 4.28Å
635	K	96.4	Very high	95.7	Very high	122 Å²	122	50.4 Å²	50.4	53%	0.53	27%	0.271	S	S	.	.			trans	-107	-30.5	177.8	-59.6	177.8	-172.6	171.9	0	112.3	P613 L614 F629	P613-K635 CarbonylContact C-O 3.54Å; P613-K635 WeakPolarHBondContact CA-O 3.47Å; L614-K635 WeakPolarHBondContact CG-O 3.44Å; L614-K635 PolarHBondContact N-O 3.18Å; F629-K635 HydrophobicContact CD2-CD 4.41Å; F629-K635 HydrophobicContact CD2-CG 3.73Å; F629-K635 HydrophobicContact CE2-CD 4.26Å; F629-K635 HydrophobicContact CE2-CG 4.07Å
636	T	97.7	Very high	95.5	Very high	30 Å²	30	52.7 Å²	52.7	18%	0.184	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-111.8	168.3	177.8	73.9	0	0	0	0	112.8	C610 L612 Q639 L640	C610-T636 VanDerWaalsContact O-CB 3.31Å; C610-T636 WeakPolarHBondContact O-CB 3.24Å; C610-T636 PolarHBondContact O-OG1 2.96Å; C610-T636 VanDerWaalsContact O-OG1 3.07Å; L612-T636 CarbonylContact O-C 3.51Å; L612-T636 VanDerWaalsContact O-CA 3.28Å; L612-T636 WeakPolarHBondContact O-CA 3.14Å; L612-T636 WeakPolarHBondContact O-CB 3.17Å; T636-Q639 PolarHBondContact O-N 3Å; T636-Q639 WeakPolarHBondContact OG1-CG 3.49Å; T636-Q639 PolarHBondContact OG1-N 3.49Å; T636-L640 PolarHBondContact O-N 3.44Å; T636-L640 VanDerWaalsContact O-N 3.07Å
637	C	96.4	Very high	95.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-40.5	176.7	-56.5	0	0	0	0	112.1	L609 L612 I617 Q639 L640 M641 C665	L609-C637 HydrophobicContact CD1-CB 4.44Å; L609-C637 WeakPolarHBondContact O-CB 3.49Å; L612-C637 PolarHBondContact O-N 3.49Å; L612-C637 PolarHBondContact O-SG 3.3Å; L612-C637 VanDerWaalsContact O-SG 3.38Å; I617-C637 WeakPolarHBondContact CG1-SG 3.08Å; C637-Q639 VanDerWaalsContact C-N 3.34Å; C637-Q639 PolarHBondContact O-N 2.96Å; C637-L640 PolarHBondContact O-N 3.33Å; C637-L640 VanDerWaalsContact O-N 3.13Å; C637-M641 WeakPolarHBondContact O-CG 3.47Å; C637-M641 PolarHBondContact O-N 3.35Å; C637-C665 HydrophobicContact CB-CB 4.01Å
638	G	95.3	Very high	95.5	Very high	13 Å²	13	56.2 Å²	56.2	13%	0.134	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-42.2	176.3	0	0	0	0	0	112.3	C610 L640 M641 S642	C610-G638 WeakPolarHBondContact O-CA 3.48Å; C610-G638 PolarHBondContact O-N 2.57Å; G638-L640 VanDerWaalsContact C-N 3.34Å; G638-L640 PolarHBondContact O-N 2.94Å; G638-M641 PolarHBondContact O-N 3.47Å; G638-S642 PolarHBondContact O-N 2.89Å; G638-S642 PolarHBondContact O-OG 2.92Å; G638-S642 VanDerWaalsContact O-OG 3.05Å
639	Q	96.2	Very high	95.4	Very high	67 Å²	67	56.2 Å²	56.2	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-64.8	-35.4	173.9	-69.2	174.6	-14.9	0	0	112.7	A634 T636 C637 S642 K643	A634-Q639 HydrophobicContact CB-CB 4.07Å; T636-Q639 PolarHBondContact O-N 3Å; T636-Q639 WeakPolarHBondContact OG1-CG 3.49Å; T636-Q639 PolarHBondContact OG1-N 3.49Å; C637-Q639 VanDerWaalsContact C-N 3.34Å; C637-Q639 PolarHBondContact O-N 2.96Å; Q639-S642 PolarHBondContact O-OG 3.18Å; Q639-K643 WeakPolarHBondContact O-CB 3.45Å; Q639-K643 WeakPolarHBondContact O-CG 3.42Å; Q639-K643 PolarHBondContact O-N 3.09Å
640	L	95.6	Very high	95.3	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-69.4	-42.6	173.9	-172.2	153.8	0	0	0	111.2	L614 I628 A634 T636 C637 G638 S642 V644 V661 C665	L614-L640 HydrophobicContact CD1-CD1 4.08Å; L614-L640 HydrophobicContact CD2-CB 4.13Å; L614-L640 HydrophobicContact CD2-CD1 3.76Å; I628-L640 HydrophobicContact CD1-CD1 4.15Å; I628-L640 HydrophobicContact CG2-CD1 4.11Å; A634-L640 HydrophobicContact CB-CB 4.28Å; T636-L640 PolarHBondContact O-N 3.44Å; T636-L640 VanDerWaalsContact O-N 3.07Å; C637-L640 PolarHBondContact O-N 3.33Å; C637-L640 VanDerWaalsContact O-N 3.13Å; G638-L640 VanDerWaalsContact C-N 3.34Å; G638-L640 PolarHBondContact O-N 2.94Å; L640-S642 VanDerWaalsContact C-N 3.35Å; L640-S642 PolarHBondContact O-N 3.02Å; L640-V644 HydrophobicContact CG-CB 4.45Å; L640-V644 HydrophobicContact CG-CG2 4.43Å; L640-V644 WeakPolarHBondContact O-CB 3.45Å; L640-V644 PolarHBondContact O-N 3.31Å; L640-V644 VanDerWaalsContact O-N 3.12Å; L640-V661 HydrophobicContact CD1-CG1 3.73Å; L640-C665 HydrophobicContact CD2-CB 4.12Å
641	M	94.3	Very high	95.3	Very high	28 Å²	28	51 Å²	51	14%	0.138	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-38.8	179.8	-73.9	-166.1	-77.6	0	0	112.7	Y606 C610 C637 G638 C665 R666	Y606-M641 HydrophobicContact CE2-CE 4.33Å; C610-M641 WeakPolarHBondContact SG-CE 3.38Å; C637-M641 WeakPolarHBondContact O-CG 3.47Å; C637-M641 PolarHBondContact O-N 3.35Å; G638-M641 PolarHBondContact O-N 3.47Å; M641-C665 WeakPolarHBondContact CE-O 3.4Å; M641-C665 HydrophobicContact CG-CB 4.48Å; M641-R666 HydrophobicContact CG-CG 4.05Å; M641-R666 HydrophobicContact SD-CB 4.35Å; M641-R666 HydrophobicContact SD-CG 3.55Å; M641-R666 VanDerWaalsContact SD-CG 3.55Å
642	S	92.9	Very high	95.3	Very high	97 Å²	97	52 Å²	52	68%	0.678	28%	0.282	S	S	*	.	H	α-helix	trans	-85	-42.2	179.5	61	0	0	0	0	114.3	G638 Q639 L640	G638-S642 PolarHBondContact O-N 2.89Å; G638-S642 PolarHBondContact O-OG 2.92Å; G638-S642 VanDerWaalsContact O-OG 3.05Å; Q639-S642 PolarHBondContact O-OG 3.18Å; L640-S642 VanDerWaalsContact C-N 3.35Å; L640-S642 PolarHBondContact O-N 3.02Å
643	K	93.1	Very high	95.2	Very high	92 Å²	92	50.9 Å²	50.9	40%	0.4	28%	0.279	S	S	.	.	H	α-helix	trans	-84	-19.9	-175.4	-61.4	-175.4	177.7	-176.5	0	114.7	F632 D633 Q639	F632-K643 WeakPolarHBondContact O-CD 3.5Å; D633-K643 PolarHBondContact O-NZ 2.91Å; D633-K643 IonicContact OD2-NZ 3.7Å; D633-K643 PolarHBondContact OD2-NZ 3.27Å; Q639-K643 WeakPolarHBondContact O-CB 3.45Å; Q639-K643 WeakPolarHBondContact O-CG 3.42Å; Q639-K643 PolarHBondContact O-N 3.09Å
644	V	93.2	Very high	95.2	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.024	28%	0.275	C	S	.	.			trans	-129.8	111.5	-163.1	-162	0	0	0	0	113.8	F632 L640 Q648 I649	F632-V644 HydrophobicContact CB-CG2 3.65Å; F632-V644 HydrophobicContact CD1-CG1 4.47Å; F632-V644 HydrophobicContact CD1-CG2 4.38Å; F632-V644 HydrophobicContact CD2-CB 4.38Å; F632-V644 HydrophobicContact CD2-CG1 3.69Å; F632-V644 HydrophobicContact CD2-CG2 3.66Å; F632-V644 HydrophobicContact CE1-CG1 4.39Å; F632-V644 HydrophobicContact CE2-CG1 3.56Å; F632-V644 HydrophobicContact CE2-CG2 4.4Å; F632-V644 HydrophobicContact CG-CG1 4.17Å; F632-V644 HydrophobicContact CG-CG2 3.65Å; F632-V644 HydrophobicContact CZ-CG1 3.96Å; L640-V644 HydrophobicContact CG-CB 4.45Å; L640-V644 HydrophobicContact CG-CG2 4.43Å; L640-V644 WeakPolarHBondContact O-CB 3.45Å; L640-V644 PolarHBondContact O-N 3.31Å; L640-V644 VanDerWaalsContact O-N 3.12Å; V644-Q648 HydrophobicContact CG1-CB 3.9Å; V644-I649 HydrophobicContact CG1-CB 3.86Å
645	S	94.1	Very high	95	Very high	52 Å²	52	57.3 Å²	57.3	36%	0.364	31%	0.313	S	S	.	.			trans	-70.8	157.8	173.1	71.7	0	0	0	0	113.1	N647 Q648 I649	S645-N647 PolarHBondContact O-N 2.82Å; S645-Q648 VanDerWaalsContact CB-OE1 3.26Å; S645-Q648 PolarHBondContact O-N 2.81Å; S645-Q648 VanDerWaalsContact O-N 3.08Å; S645-Q648 WeakPolarHBondContact OG-CG 3.39Å; S645-Q648 PolarHBondContact OG-N 2.81Å; S645-Q648 PolarHBondContact OG-OE1 3.35Å; S645-I649 PolarHBondContact O-N 3.3Å; S645-I649 VanDerWaalsContact O-N 3.11Å
646	H	93.4	Very high	94.8	Very high	63 Å²	63	60.7 Å²	60.7	29%	0.292	33%	0.327	S	S	.	.	H	α-helix	trans	-52.6	-39.7	175.5	-174.2	-92.7	0	0	0	113.2	I649 T650 N659 Y662	H646-I649 WeakPolarHBondContact O-CG2 3.3Å; H646-T650 WeakPolarHBondContact O-CB 3.19Å; H646-T650 VanDerWaalsContact O-CG2 3.3Å; H646-T650 WeakPolarHBondContact O-CG2 3.21Å; H646-T650 PolarHBondContact O-N 3.21Å; H646-T650 PolarHBondContact O-OG1 2.97Å; H646-N659 PolarHBondContact NE2-OD1 3.48Å; H646-Y662 HydrophobicContact CB-CD1 4.49Å; H646-Y662 HydrophobicContact CB-CD2 4.34Å; H646-Y662 HydrophobicContact CB-CE1 4.12Å; H646-Y662 HydrophobicContact CB-CE2 4Å; H646-Y662 AromaticContact CD2-CD1 3.59Å; H646-Y662 AromaticContact CD2-CE1 3.82Å; H646-Y662 AromaticContact CD2-CG 3.95Å
647	N	94.9	Very high	94.7	Very high	119 Å²	119	62.2 Å²	62.2	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-68.3	-39.2	178.5	-73	-34.5	0	0	0	112.4	S645 T650 S651	S645-N647 PolarHBondContact O-N 2.82Å; N647-T650 PolarHBondContact O-OG1 3.38Å; N647-S651 VanDerWaalsContact O-CB 3.26Å; N647-S651 WeakPolarHBondContact O-CB 3.26Å; N647-S651 PolarHBondContact O-N 3.11Å; N647-S651 VanDerWaalsContact O-N 3.07Å; N647-S651 PolarHBondContact O-OG 3.12Å
648	Q	96.6	Very high	94.6	Very high	87 Å²	87	62.2 Å²	62.2	41%	0.407	34%	0.336	S	S	.	.	H	α-helix	trans	-66.5	-50.1	178	-75.8	160.2	-58.5	0	0	111.3	F632 V644 S645 S651 L652	F632-Q648 HydrophobicContact CE1-CB 4.03Å; F632-Q648 HydrophobicContact CE1-CG 4.44Å; F632-Q648 HydrophobicContact CZ-CB 3.78Å; V644-Q648 HydrophobicContact CG1-CB 3.9Å; S645-Q648 VanDerWaalsContact CB-OE1 3.26Å; S645-Q648 PolarHBondContact O-N 2.81Å; S645-Q648 VanDerWaalsContact O-N 3.08Å; S645-Q648 WeakPolarHBondContact OG-CG 3.39Å; S645-Q648 PolarHBondContact OG-N 2.81Å; S645-Q648 PolarHBondContact OG-OE1 3.35Å; Q648-S651 PolarHBondContact O-N 2.99Å; Q648-L652 PolarHBondContact O-N 3.02Å
649	I	95.2	Very high	94.5	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-69.4	-35.3	-177.4	-166.9	65.6	0	0	0	112.8	I628 F632 V644 S645 H646 S651 L652 L653 V661 Y662	I628-I649 HydrophobicContact CD1-CD1 4.26Å; I628-I649 HydrophobicContact CG1-CD1 3.94Å; F632-I649 HydrophobicContact CE2-CD1 4.32Å; V644-I649 HydrophobicContact CG1-CB 3.86Å; S645-I649 PolarHBondContact O-N 3.3Å; S645-I649 VanDerWaalsContact O-N 3.11Å; H646-I649 WeakPolarHBondContact O-CG2 3.3Å; I649-S651 VanDerWaalsContact C-N 3.35Å; I649-L652 PolarHBondContact O-N 3.11Å; I649-L653 HydrophobicContact CD1-CD1 3.59Å; I649-L653 HydrophobicContact CD1-CG 4.06Å; I649-L653 HydrophobicContact CG1-CD1 4.07Å; I649-L653 PolarHBondContact O-N 3.35Å; I649-V661 HydrophobicContact CD1-CG1 4.28Å; I649-V661 HydrophobicContact CG1-CG1 4.18Å; I649-Y662 HydrophobicContact CG2-CD2 3.92Å; I649-Y662 HydrophobicContact CG2-CG 4.28Å
650	T	95.5	Very high	94.4	Very high	19 Å²	19	64.1 Å²	64.1	12%	0.117	34%	0.339	C	S	.	.	H	α-helix	trans	-73.7	-24.1	174	56.4	0	0	0	0	113.5	H646 N647 G654 K655 N659	H646-T650 WeakPolarHBondContact O-CB 3.19Å; H646-T650 VanDerWaalsContact O-CG2 3.3Å; H646-T650 WeakPolarHBondContact O-CG2 3.21Å; H646-T650 PolarHBondContact O-N 3.21Å; H646-T650 PolarHBondContact O-OG1 2.97Å; N647-T650 PolarHBondContact O-OG1 3.38Å; T650-G654 CarbonylContact O-C 3.59Å; T650-G654 WeakPolarHBondContact O-CA 3.4Å; T650-G654 PolarHBondContact O-N 2.73Å; T650-G654 VanDerWaalsContact O-N 3.1Å; T650-K655 PolarHBondContact O-N 3.18Å; T650-N659 HydrophobicContact CG2-CB 4.39Å
651	S	96.1	Very high	94.3	Very high	102 Å²	102	64.3 Å²	64.3	71%	0.713	34%	0.34	S	S	*	.	H	α-helix	trans	-74.7	-40.8	170.2	-60.9	0	0	0	0	112	N647 Q648 I649	N647-S651 VanDerWaalsContact O-CB 3.26Å; N647-S651 WeakPolarHBondContact O-CB 3.26Å; N647-S651 PolarHBondContact O-N 3.11Å; N647-S651 VanDerWaalsContact O-N 3.07Å; N647-S651 PolarHBondContact O-OG 3.12Å; Q648-S651 PolarHBondContact O-N 2.99Å; I649-S651 VanDerWaalsContact C-N 3.35Å
652	L	96.2	Very high	94.3	Very high	69 Å²	69	64.1 Å²	64.1	36%	0.361	34%	0.338	S	S	.	.	H	α-helix	trans	-70	-46.4	179.1	-179.3	68.5	0	0	0	113.1	A631 F632 Q648 I649	A631-L652 HydrophobicContact CB-CD1 3.98Å; A631-L652 HydrophobicContact CB-CD2 3.58Å; A631-L652 HydrophobicContact CB-CG 4.42Å; F632-L652 HydrophobicContact CD2-CD2 4.15Å; F632-L652 HydrophobicContact CE2-CB 4.28Å; F632-L652 HydrophobicContact CE2-CD2 3.5Å; F632-L652 HydrophobicContact CE2-CG 4.49Å; F632-L652 HydrophobicContact CZ-CB 4.35Å; F632-L652 HydrophobicContact CZ-CD2 4.17Å; Q648-L652 PolarHBondContact O-N 3.02Å; I649-L652 PolarHBondContact O-N 3.11Å
653	L	95	Very high	94.3	Very high	23 Å²	23	61.2 Å²	61.2	12%	0.12	31%	0.314	C	S	.	.	H	α-helix	trans	-103.6	-3.4	-171	-57.4	-177.6	0	0	0	113.9	L624 K627 I628 I649 T657 V661	L624-L653 HydrophobicContact CD2-CD2 4.04Å; K627-L653 HydrophobicContact CB-CD2 4.41Å; K627-L653 HydrophobicContact CD-CD2 4.45Å; I628-L653 HydrophobicContact CD1-CD1 4.1Å; I628-L653 HydrophobicContact CG1-CD1 4.13Å; I649-L653 HydrophobicContact CD1-CD1 3.59Å; I649-L653 HydrophobicContact CD1-CG 4.06Å; I649-L653 HydrophobicContact CG1-CD1 4.07Å; I649-L653 PolarHBondContact O-N 3.35Å; L653-T657 HydrophobicContact CB-CG2 4.27Å; L653-T657 WeakPolarHBondContact O-CB 3.31Å; L653-T657 PolarHBondContact O-OG1 2.97Å; L653-V661 HydrophobicContact CD1-CB 4.33Å; L653-V661 HydrophobicContact CD1-CG1 4.42Å; L653-V661 HydrophobicContact CD1-CG2 3.96Å
654	G	94.7	Very high	94.4	Very high	35 Å²	35	57.2 Å²	57.2	36%	0.361	30%	0.298	S	S	.	.			trans	78.9	151.6	-170.7	0	0	0	0	0	112.7	T650 K656 T657 G658	T650-G654 CarbonylContact O-C 3.59Å; T650-G654 WeakPolarHBondContact O-CA 3.4Å; T650-G654 PolarHBondContact O-N 2.73Å; T650-G654 VanDerWaalsContact O-N 3.1Å; G654-K656 PolarHBondContact O-N 2.92Å; G654-K656 VanDerWaalsContact O-N 3.16Å; G654-T657 PolarHBondContact O-N 3.05Å; G654-G658 PolarHBondContact O-N 3.46Å
655	K	92.7	Very high	94.5	Very high	182 Å²	182	57 Å²	57	79%	0.791	30%	0.297	S	S	*	.	H	α-helix	trans	-49.4	-47.4	-166.4	-63.7	-174.8	179	-176.7	0	115.1	T650 N659	T650-K655 PolarHBondContact O-N 3.18Å; K655-N659 WeakPolarHBondContact O-CB 3.29Å; K655-N659 PolarHBondContact O-N 2.9Å
656	K	92.5	Very high	94.4	Very high	192 Å²	192	55.2 Å²	55.2	84%	0.835	28%	0.283	S	S	*	.	H	α-helix	trans	-68.4	-54.5	-178.4	-69.6	-169.2	176	-171.1	0	112.1	G654 N659 R660	G654-K656 PolarHBondContact O-N 2.92Å; G654-K656 VanDerWaalsContact O-N 3.16Å; K656-N659 PolarHBondContact O-N 3.28Å; K656-R660 PolarHBondContact O-N 3.46Å
657	T	94.4	Very high	94.4	Very high	62 Å²	62	52.2 Å²	52.2	38%	0.38	27%	0.269	S	S	.	.	H	α-helix	trans	-65.1	-45.8	-176.5	-42.4	0	0	0	0	111.5	L624 L653 G654 N659 R660 V661	L624-T657 HydrophobicContact CD1-CG2 4.25Å; L624-T657 HydrophobicContact CD2-CG2 4.1Å; L653-T657 HydrophobicContact CB-CG2 4.27Å; L653-T657 WeakPolarHBondContact O-CB 3.31Å; L653-T657 PolarHBondContact O-OG1 2.97Å; G654-T657 PolarHBondContact O-N 3.05Å; T657-N659 VanDerWaalsContact C-N 3.33Å; T657-N659 PolarHBondContact O-N 2.99Å; T657-R660 PolarHBondContact O-N 3.5Å; T657-V661 WeakPolarHBondContact O-CG2 3.4Å; T657-V661 PolarHBondContact O-N 3.07Å
658	G	94.7	Very high	94.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-38.2	178.2	0	0	0	0	0	112.7	G654 Y662	G654-G658 PolarHBondContact O-N 3.46Å; G658-Y662 VanDerWaalsContact O-CB 3.23Å; G658-Y662 WeakPolarHBondContact O-CB 3.43Å; G658-Y662 PolarHBondContact O-N 2.85Å
659	N	93.9	Very high	93.8	Very high	31 Å²	31	45.9 Å²	45.9	17%	0.166	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-43.6	175	-168	86.6	0	0	0	111.8	H646 T650 K655 K656 T657 Y662 M663 L670	H646-N659 PolarHBondContact NE2-OD1 3.48Å; T650-N659 HydrophobicContact CG2-CB 4.39Å; K655-N659 WeakPolarHBondContact O-CB 3.29Å; K655-N659 PolarHBondContact O-N 2.9Å; K656-N659 PolarHBondContact O-N 3.28Å; T657-N659 VanDerWaalsContact C-N 3.33Å; T657-N659 PolarHBondContact O-N 2.99Å; N659-Y662 PolarHBondContact O-N 2.56Å; N659-M663 WeakPolarHBondContact O-CB 3.4Å; N659-M663 WeakPolarHBondContact O-CG 3.33Å; N659-M663 PolarHBondContact O-N 3.49Å; N659-L670 WeakPolarHBondContact ND2-CD1 3.25Å
660	R	93	Very high	93.2	Very high	89 Å²	89	49 Å²	49	34%	0.336	25%	0.252	S	S	.	.	H	α-helix	trans	-62.8	-43.3	176.2	-173.6	-179.2	-78.4	179.1	-4.8	111.9	K656 T657 A664 L670 D671	K656-R660 PolarHBondContact O-N 3.46Å; T657-R660 PolarHBondContact O-N 3.5Å; R660-A664 WeakPolarHBondContact O-CB 3.19Å; R660-A664 PolarHBondContact O-N 3.17Å; R660-L670 HydrophobicContact CB-CD1 4.22Å; R660-D671 IonicContact CZ-OD1 2.74Å; R660-D671 IonicContact CZ-OD2 2.72Å; R660-D671 IonicContact NE-OD1 2.76Å; R660-D671 IonicContact NE-OD2 3.18Å; R660-D671 IonicContact NH1-OD2 2.98Å; R660-D671 IonicContact NH2-OD1 3.38Å; R660-D671 PolarHBondContact NH2-OD1 3.34Å; R660-D671 IonicContact NH2-OD2 3.35Å; R660-D671 PolarHBondContact NH2-OD2 3.03Å
661	V	94.4	Very high	92.6	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-49.5	175.6	166.9	0	0	0	0	111.3	I620 I628 L640 I649 L653 T657 M663 A664 C665	I620-V661 HydrophobicContact CD1-CB 4.33Å; I620-V661 HydrophobicContact CD1-CG1 4.02Å; I620-V661 HydrophobicContact CD1-CG2 3.97Å; I620-V661 HydrophobicContact CG1-CG2 4.18Å; I628-V661 HydrophobicContact CD1-CG1 3.99Å; L640-V661 HydrophobicContact CD1-CG1 3.73Å; I649-V661 HydrophobicContact CD1-CG1 4.28Å; I649-V661 HydrophobicContact CG1-CG1 4.18Å; L653-V661 HydrophobicContact CD1-CB 4.33Å; L653-V661 HydrophobicContact CD1-CG1 4.42Å; L653-V661 HydrophobicContact CD1-CG2 3.96Å; T657-V661 WeakPolarHBondContact O-CG2 3.4Å; T657-V661 PolarHBondContact O-N 3.07Å; V661-M663 VanDerWaalsContact C-N 3.32Å; V661-M663 PolarHBondContact O-N 3.15Å; V661-A664 PolarHBondContact O-N 2.84Å; V661-C665 PolarHBondContact O-N 2.76Å; V661-C665 VanDerWaalsContact O-N 3.09Å; V661-C665 PolarHBondContact O-SG 2.59Å
662	Y	94.5	Very high	92.1	Very high	24 Å²	24	50 Å²	50	9%	0.094	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-39.2	-177.8	-177.3	-94.8	0	0	0	113.4	E598 H646 I649 G658 N659 R666	E598-Y662 PolarHBondContact OE2-OH 3.21Å; H646-Y662 HydrophobicContact CB-CD1 4.49Å; H646-Y662 HydrophobicContact CB-CD2 4.34Å; H646-Y662 HydrophobicContact CB-CE1 4.12Å; H646-Y662 HydrophobicContact CB-CE2 4Å; H646-Y662 AromaticContact CD2-CD1 3.59Å; H646-Y662 AromaticContact CD2-CE1 3.82Å; H646-Y662 AromaticContact CD2-CG 3.95Å; I649-Y662 HydrophobicContact CG2-CD2 3.92Å; I649-Y662 HydrophobicContact CG2-CG 4.28Å; G658-Y662 VanDerWaalsContact O-CB 3.23Å; G658-Y662 WeakPolarHBondContact O-CB 3.43Å; G658-Y662 PolarHBondContact O-N 2.85Å; N659-Y662 PolarHBondContact O-N 2.56Å; Y662-R666 VanDerWaalsContact CE2-CZ 3.49Å; Y662-R666 VanDerWaalsContact CE2-NH1 3.26Å; Y662-R666 WeakPolarHBondContact O-CD 3.44Å; Y662-R666 PolarHBondContact O-NH1 3.13Å; Y662-R666 PolarHBondContact OH-NH2 3.01Å
663	M	93.2	Very high	91.7	Very high	35 Å²	35	47.7 Å²	47.7	17%	0.172	24%	0.243	C	C	.	.	H	α-helix	trans	-74.7	-44.8	177.1	-65.4	-62.9	-179.1	0	0	111.5	N659 V661 C665 R666 G667 K668 L670	N659-M663 WeakPolarHBondContact O-CB 3.4Å; N659-M663 WeakPolarHBondContact O-CG 3.33Å; N659-M663 PolarHBondContact O-N 3.49Å; V661-M663 VanDerWaalsContact C-N 3.32Å; V661-M663 PolarHBondContact O-N 3.15Å; M663-C665 VanDerWaalsContact C-N 3.32Å; M663-C665 PolarHBondContact O-N 3.42Å; M663-R666 CarbonylContact O-C 2.93Å; M663-R666 WeakPolarHBondContact O-CA 3.44Å; M663-R666 WeakPolarHBondContact O-CB 3.48Å; M663-R666 PolarHBondContact O-N 3Å; M663-G667 PolarHBondContact O-N 3.29Å; M663-K668 CarbonylContact C-O 3.45Å; M663-K668 VanDerWaalsContact C-O 3.23Å; M663-K668 HydrophobicContact CB-CB 3.89Å; M663-K668 WeakPolarHBondContact CB-O 3.39Å; M663-K668 WeakPolarHBondContact O-CB 3.43Å; M663-K668 PolarHBondContact O-N 3.1Å; M663-K668 HydrophobicContact SD-CB 4.31Å; M663-K668 HydrophobicContact SD-CD 4.26Å; M663-L670 HydrophobicContact CB-CD1 4.38Å; M663-L670 HydrophobicContact CB-CG 4.38Å; M663-L670 HydrophobicContact CG-CD1 4.26Å; M663-L670 HydrophobicContact CG-CD2 4.25Å; M663-L670 HydrophobicContact CG-CG 4.44Å
664	A	94	Very high	91.3	Very high	8 Å²	8	52 Å²	52	7%	0.066	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-35.3	-177.9	0	0	0	0	0	113.1	L544 I617 R660 V661 R666 G667 K668	L544-A664 HydrophobicContact CD2-CB 3.87Å; I617-A664 HydrophobicContact CG2-CB 3.79Å; R660-A664 WeakPolarHBondContact O-CB 3.19Å; R660-A664 PolarHBondContact O-N 3.17Å; V661-A664 PolarHBondContact O-N 2.84Å; A664-R666 PolarHBondContact O-N 2.88Å; A664-G667 PolarHBondContact O-N 3.39Å; A664-G667 VanDerWaalsContact O-N 3.09Å; A664-K668 PolarHBondContact N-O 3.35Å
665	C	94.6	Very high	90.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.6	172.5	-69.1	0	0	0	0	114.1	L614 C637 L640 M641 V661 M663	L614-C665 VanDerWaalsContact CD2-SG 3.52Å; C637-C665 HydrophobicContact CB-CB 4.01Å; L640-C665 HydrophobicContact CD2-CB 4.12Å; M641-C665 WeakPolarHBondContact CE-O 3.4Å; M641-C665 HydrophobicContact CG-CB 4.48Å; V661-C665 PolarHBondContact O-N 2.76Å; V661-C665 VanDerWaalsContact O-N 3.09Å; V661-C665 PolarHBondContact O-SG 2.59Å; M663-C665 VanDerWaalsContact C-N 3.32Å; M663-C665 PolarHBondContact O-N 3.42Å
666	R	93.6	Very high	90.2	Very high	15 Å²	15	51 Å²	51	6%	0.057	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	13.2	173.3	-69.5	166.2	167	61	10.2	112.5	E598 C599 E600 M641 Y662 M663 A664 K668	E598-R666 IonicContact OE2-CZ 3.12Å; E598-R666 IonicContact OE2-NE 2.67Å; E598-R666 PolarHBondContact OE2-NE 3.01Å; E598-R666 IonicContact OE2-NH2 2.83Å; E598-R666 PolarHBondContact OE2-NH2 3Å; C599-R666 PolarHBondContact SG-O 3.33Å; C599-R666 VanDerWaalsContact SG-O 3.33Å; E600-R666 PolarHBondContact N-O 3.45Å; M641-R666 HydrophobicContact CG-CG 4.05Å; M641-R666 HydrophobicContact SD-CB 4.35Å; M641-R666 HydrophobicContact SD-CG 3.55Å; M641-R666 VanDerWaalsContact SD-CG 3.55Å; Y662-R666 VanDerWaalsContact CE2-CZ 3.49Å; Y662-R666 VanDerWaalsContact CE2-NH1 3.26Å; Y662-R666 WeakPolarHBondContact O-CD 3.44Å; Y662-R666 PolarHBondContact O-NH1 3.13Å; Y662-R666 PolarHBondContact OH-NH2 3.01Å; M663-R666 CarbonylContact O-C 2.93Å; M663-R666 WeakPolarHBondContact O-CA 3.44Å; M663-R666 WeakPolarHBondContact O-CB 3.48Å; M663-R666 PolarHBondContact O-N 3Å; A664-R666 PolarHBondContact O-N 2.88Å; R666-K668 PolarHBondContact O-N 3.44Å
667	G	92.9	Very high	89.5	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	1.4	-174.7	0	0	0	0	0	115.2	M663 A664	M663-G667 PolarHBondContact O-N 3.29Å; A664-G667 PolarHBondContact O-N 3.39Å; A664-G667 VanDerWaalsContact O-N 3.09Å
668	K	91.3	Very high	88.9	Confident	39 Å²	39	50.7 Å²	50.7	17%	0.17	25%	0.246	C	C	.	.			trans	-86.9	119.2	-175.1	-70.1	-179.3	166.6	156.3	0	111.9	E598 E600 M663 A664 R666	E598-K668 WeakPolarHBondContact O-CE 3.25Å; E598-K668 PolarHBondContact O-NZ 2.87Å; E600-K668 HydrophobicContact CG-CB 4.44Å; E600-K668 HydrophobicContact CG-CD 4.46Å; E600-K668 HydrophobicContact CG-CG 3.47Å; E600-K668 VanDerWaalsContact CG-CG 3.47Å; E600-K668 WeakPolarHBondContact OE1-CE 3.18Å; E600-K668 IonicContact OE1-NZ 3.28Å; M663-K668 CarbonylContact C-O 3.45Å; M663-K668 VanDerWaalsContact C-O 3.23Å; M663-K668 HydrophobicContact CB-CB 3.89Å; M663-K668 WeakPolarHBondContact CB-O 3.39Å; M663-K668 WeakPolarHBondContact O-CB 3.43Å; M663-K668 PolarHBondContact O-N 3.1Å; M663-K668 HydrophobicContact SD-CB 4.31Å; M663-K668 HydrophobicContact SD-CD 4.26Å; A664-K668 PolarHBondContact N-O 3.35Å; R666-K668 PolarHBondContact O-N 3.44Å
669	D	87.4	Confident	88.4	Confident	34 Å²	34	53 Å²	53	18%	0.182	26%	0.255	C	S	.	.			trans	-87.3	154.3	170.5	-147.7	-27.6	0	0	0	112	L544 C569 D671	L544-D669 HydrophobicContact CB-CB 3.91Å; L544-D669 WeakPolarHBondContact CB-OD2 3.44Å; L544-D669 PolarHBondContact N-OD2 3.16Å; C569-D669 PolarHBondContact SG-O 3.06Å; D669-D671 PolarHBondContact OD1-N 3.49Å
670	L	81.7	Confident	88.2	Confident	65 Å²	65	58.1 Å²	58.1	34%	0.34	28%	0.276	S	S	.	.			trans	-121.3	-8.8	176	-60.5	173.3	0	0	0	112.1	N659 R660 M663	N659-L670 WeakPolarHBondContact ND2-CD1 3.25Å; R660-L670 HydrophobicContact CB-CD1 4.22Å; M663-L670 HydrophobicContact CB-CD1 4.38Å; M663-L670 HydrophobicContact CB-CG 4.38Å; M663-L670 HydrophobicContact CG-CD1 4.26Å; M663-L670 HydrophobicContact CG-CD2 4.25Å; M663-L670 HydrophobicContact CG-CG 4.44Å
671	D	84.1	Confident	88.3	Confident	58 Å²	58	55.8 Å²	55.8	31%	0.31	27%	0.273	S	S	.	.			trans	-107.4	125.7	-176.9	-63	-9.7	0	0	0	110	R660 D669	R660-D671 IonicContact CZ-OD1 2.74Å; R660-D671 IonicContact CZ-OD2 2.72Å; R660-D671 IonicContact NE-OD1 2.76Å; R660-D671 IonicContact NE-OD2 3.18Å; R660-D671 IonicContact NH1-OD2 2.98Å; R660-D671 IonicContact NH2-OD1 3.38Å; R660-D671 PolarHBondContact NH2-OD1 3.34Å; R660-D671 IonicContact NH2-OD2 3.35Å; R660-D671 PolarHBondContact NH2-OD2 3.03Å; D669-D671 PolarHBondContact OD1-N 3.49Å
672	S	85.6	Confident	88.3	Confident	83 Å²	83	56 Å²	56	58%	0.58	27%	0.274	S	S	*	.			trans	-73.5	174.3	173.2	66.9	0	0	0	0	112.2	K543	K543-S672 WeakPolarHBondContact CD-O 3.29Å; K543-S672 PolarHBondContact NZ-O 3.23Å
673	L	88.3	Confident	88.3	Confident	22 Å²	22	57.3 Å²	57.3	12%	0.115	29%	0.287	C	S	.	.			trans	-58.7	148.1	156.2	-71.5	167.4	0	0	0	110.2	I364 Q474 Y482 D484 K543 F675	I364-L673 HydrophobicContact CD1-CD1 4.16Å; I364-L673 HydrophobicContact CD1-CG 4.28Å; I364-L673 HydrophobicContact CG1-CD1 4.25Å; I364-L673 HydrophobicContact CG2-CD2 4.35Å; Q474-L673 HydrophobicContact CB-CD2 3.97Å; Y482-L673 HydrophobicContact CG-CD2 4.13Å; D484-L673 HydrophobicContact CB-CD1 3.81Å; K543-L673 HydrophobicContact CD-CD2 3.8Å; K543-L673 HydrophobicContact CD-CG 4.04Å; K543-L673 HydrophobicContact CG-CD2 3.99Å; K543-L673 HydrophobicContact CG-CG 4.32Å; L673-F675 HydrophobicContact CB-CE1 3.74Å; L673-F675 HydrophobicContact CB-CE2 4.29Å; L673-F675 HydrophobicContact CB-CZ 3.59Å; L673-F675 HydrophobicContact CD1-CE1 4.05Å; L673-F675 HydrophobicContact CD1-CZ 3.89Å; L673-F675 HydrophobicContact CG-CE1 4.35Å; L673-F675 HydrophobicContact CG-CZ 4.34Å
674	Q	86.5	Confident	88.5	Confident	114 Å²	114	55.6 Å²	55.6	53%	0.533	28%	0.279	S	S	.	.			trans	-137.1	101.7	-179.5	-68.6	179.9	-6.7	0	0	108.6	Q474	Q474-Q674 VanDerWaalsContact CG-O 3.31Å; Q474-Q674 WeakPolarHBondContact CG-O 3.47Å
675	F	84.1	Confident	88.6	Confident	51 Å²	51	57.3 Å²	57.3	22%	0.224	29%	0.29	C	S	.	.			trans	-86.3	-28	-176.6	-48.3	-60	0	0	0	112.6	D472 I473 L673	D472-F675 VanDerWaalsContact C-CE1 3.49Å; D472-F675 HydrophobicContact CB-CE1 3.81Å; D472-F675 HydrophobicContact CB-CZ 3.79Å; D472-F675 WeakPolarHBondContact O-CE1 3.38Å; D472-F675 VanDerWaalsContact OD1-CE2 3.23Å; D472-F675 WeakPolarHBondContact OD1-CE2 3.38Å; D472-F675 WeakPolarHBondContact OD1-CZ 3.46Å; I473-F675 WeakPolarHBondContact O-CD1 3.33Å; L673-F675 HydrophobicContact CB-CE1 3.74Å; L673-F675 HydrophobicContact CB-CE2 4.29Å; L673-F675 HydrophobicContact CB-CZ 3.59Å; L673-F675 HydrophobicContact CD1-CE1 4.05Å; L673-F675 HydrophobicContact CD1-CZ 3.89Å; L673-F675 HydrophobicContact CG-CE1 4.35Å; L673-F675 HydrophobicContact CG-CZ 4.34Å
676	E	79.6	Confident	88.6	Confident	145 Å²	145	57.9 Å²	57.9	68%	0.678	29%	0.293	S	S	*	.			trans	-106.6	143.6	176.3	-62.5	-177.8	170	0	0	110.9
677	K	78.6	Confident	88.7	Confident	108 Å²	108	59 Å²	59	47%	0.47	30%	0.3	S	S	.	.			trans	-135.7	93.7	-175.8	-172.2	174.4	176.4	171	0	113.4	H300 Y679	H300-K677 VanDerWaalsContact CD2-CD 3.44Å; H300-K677 WeakPolarHBondContact CD2-CD 3.43Å; H300-K677 PolarHBondContact CD2-NZ 3.35Å; H300-K677 WeakPolarHBondContact NE2-CD 3.19Å; H300-K677 PolarHBondContact NE2-NZ 3.37Å; K677-Y679 PolarHBondContact O-N 2.98Å
678	E	79.9	Confident	88.8	Confident	139 Å²	139	63.4 Å²	63.4	65%	0.65	32%	0.318	S	S	*	.			trans	-61.4	117.9	172.7	-175.4	-169.1	-168.6	0	0	112.1	K680	E678-K680 VanDerWaalsContact CD-CE 3.42Å; E678-K680 HydrophobicContact CG-CG 4.46Å; E678-K680 WeakPolarHBondContact OE2-CE 3.35Å; E678-K680 IonicContact OE2-NZ 2.7Å; E678-K680 PolarHBondContact OE2-NZ 3.18Å
679	Y	84.8	Confident	89	Confident	48 Å²	48	63 Å²	63	19%	0.188	33%	0.325	C	S	.	.			trans	-74.6	124.9	173.6	-63.2	-78.2	0	0	0	111.4	K297 K677 I716 M718	K297-Y679 HydrophobicContact CG-CE1 4.06Å; K297-Y679 WeakPolarHBondContact CG-OH 3.13Å; K677-Y679 PolarHBondContact O-N 2.98Å; Y679-I716 HydrophobicContact CD2-CG2 3.76Å; Y679-I716 HydrophobicContact CE2-CG2 4.25Å; Y679-I716 HydrophobicContact CG-CG2 4.18Å; Y679-M718 HydrophobicContact CD2-SD 4.28Å
680	K	89.9	Confident	89.4	Confident	139 Å²	139	61.6 Å²	61.6	60%	0.604	32%	0.317	S	S	*	.			trans	-108.6	-8.6	-173.4	-63.6	179.8	-172.8	-160.8	0	114.4	E678	E678-K680 VanDerWaalsContact CD-CE 3.42Å; E678-K680 HydrophobicContact CG-CG 4.46Å; E678-K680 WeakPolarHBondContact OE2-CE 3.35Å; E678-K680 IonicContact OE2-NZ 2.7Å; E678-K680 PolarHBondContact OE2-NZ 3.18Å
681	S	94.6	Very high	90	Very high	40 Å²	40	61.6 Å²	61.6	28%	0.28	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	151.6	173	60.8	0	0	0	0	111.5	Q797 V798	S681-Q797 PolarHBondContact OG-NE2 3.21Å; S681-V798 CarbonylContact C-O 3.52Å; S681-V798 WeakPolarHBondContact CA-O 3.31Å; S681-V798 WeakPolarHBondContact CB-O 3.31Å
682	V	94.4	Very high	90.5	Very high	8 Å²	8	59.6 Å²	59.6	5%	0.048	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144	171.6	-167.6	0	0	0	0	109	L709 R712 M713 I716 C725 Q797 V798 L801	V682-L709 HydrophobicContact CB-CD1 4.17Å; V682-L709 HydrophobicContact CG1-CD1 4Å; V682-R712 HydrophobicContact CG1-CB 3.65Å; V682-M713 HydrophobicContact CB-CG 3.75Å; V682-M713 HydrophobicContact CG1-CG 3.86Å; V682-M713 HydrophobicContact CG2-CG 3.83Å; V682-I716 HydrophobicContact CB-CD1 4.2Å; V682-I716 HydrophobicContact CG1-CD1 3.71Å; V682-I716 HydrophobicContact CG2-CD1 3.44Å; V682-I716 VanDerWaalsContact CG2-CD1 3.44Å; V682-C725 VanDerWaalsContact CG2-SG 3.56Å; V682-Q797 CarbonylContact O-C 3.46Å; V682-Q797 VanDerWaalsContact O-CA 3.25Å; V682-Q797 WeakPolarHBondContact O-CA 3.41Å; V682-V798 PolarHBondContact N-O 3.26Å; V682-V798 PolarHBondContact O-N 3.29Å; V682-L801 HydrophobicContact CG2-CD1 3.74Å; V682-L801 HydrophobicContact CG2-CD2 4.19Å
683	S	96.1	Very high	90.8	Very high	52 Å²	52	60.3 Å²	60.3	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152.1	177.4	60.6	0	0	0	0	115	R712 L796	S683-R712 WeakPolarHBondContact O-CD 3.46Å; S683-R712 PolarHBondContact O-NH1 2.74Å; S683-L796 CarbonylContact C-O 3.55Å; S683-L796 WeakPolarHBondContact CA-O 3.41Å; S683-L796 WeakPolarHBondContact CB-O 3.28Å
684	A	95.8	Very high	91.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.6	165	0	0	0	0	0	108	L705 E708 L709 G795 L796	A684-L705 HydrophobicContact CB-CD2 4.26Å; A684-E708 HydrophobicContact CB-CB 4.47Å; A684-E708 HydrophobicContact CB-CG 4.01Å; A684-L709 HydrophobicContact CB-CB 4Å; A684-G795 WeakPolarHBondContact O-CA 3.33Å; A684-L796 PolarHBondContact N-O 2.79Å; A684-L796 PolarHBondContact O-N 3.02Å
685	S	96.2	Very high	91.4	Very high	43 Å²	43	62.1 Å²	62.1	30%	0.301	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	139.8	-178.3	68.8	0	0	0	0	112.7	F283 Y284 I794 G795	F283-S685 WeakPolarHBondContact CE1-O 3.23Å; Y284-S685 PolarHBondContact OH-N 3.35Å; Y284-S685 PolarHBondContact OH-O 3.23Å; S685-I794 CarbonylContact C-O 3.59Å; S685-I794 VanDerWaalsContact CA-O 3.26Å; S685-I794 WeakPolarHBondContact CA-O 3.26Å; S685-I794 WeakPolarHBondContact CB-O 3.33Å; S685-G795 VanDerWaalsContact CB-CA 3.47Å
686	M	95.6	Very high	91.9	Very high	13 Å²	13	62.7 Å²	62.7	6%	0.064	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.4	175	-176.5	162.3	73.2	0	0	108.3	L280 F283 Y688 I690 L701 G793 I794	L280-M686 HydrophobicContact CD1-CB 4.27Å; L280-M686 HydrophobicContact CD1-CE 4.22Å; L280-M686 HydrophobicContact CD1-SD 3.83Å; F283-M686 HydrophobicContact CB-CG 4.39Å; F283-M686 HydrophobicContact CB-SD 3.63Å; F283-M686 HydrophobicContact CD1-CB 3.99Å; F283-M686 HydrophobicContact CD1-CG 3.63Å; F283-M686 HydrophobicContact CD1-SD 3.79Å; F283-M686 HydrophobicContact CD2-CG 4.13Å; F283-M686 HydrophobicContact CD2-SD 4.42Å; F283-M686 HydrophobicContact CE1-CB 3.94Å; F283-M686 HydrophobicContact CE1-CG 3.88Å; F283-M686 HydrophobicContact CE2-CG 4.36Å; F283-M686 HydrophobicContact CG-CG 3.76Å; F283-M686 HydrophobicContact CG-SD 3.67Å; F283-M686 HydrophobicContact CZ-CG 4.24Å; M686-Y688 WeakPolarHBondContact CG-O 3.3Å; M686-I690 HydrophobicContact CB-CD1 4.07Å; M686-I690 HydrophobicContact CE-CD1 4.11Å; M686-I690 HydrophobicContact CE-CG1 3.68Å; M686-I690 HydrophobicContact CG-CD1 3.98Å; M686-I690 HydrophobicContact CG-CG1 4.23Å; M686-I690 WeakPolarHBondContact O-CD1 3.21Å; M686-L701 HydrophobicContact CE-CD1 3.66Å; M686-G793 CarbonylContact O-C 3.59Å; M686-G793 WeakPolarHBondContact O-CA 3.49Å; M686-I794 PolarHBondContact N-O 2.86Å; M686-I794 PolarHBondContact O-N 2.82Å; M686-I794 VanDerWaalsContact O-O 3.13Å
687	N	95.7	Very high	92.7	Very high	38 Å²	38	57.6 Å²	57.6	20%	0.203	30%	0.3	C	S	.	.			trans	-132.4	27.8	-176.2	-56.5	-68	0	0	0	111.6	Y735 H751 G793 I794	N687-Y735 VanDerWaalsContact OD1-CD2 3.25Å; N687-Y735 WeakPolarHBondContact OD1-CD2 3.35Å; N687-Y735 WeakPolarHBondContact OD1-CE2 3.45Å; N687-H751 PolarHBondContact O-CD2 2.76Å; N687-G793 WeakPolarHBondContact OD1-CA 3.35Å; N687-I794 PolarHBondContact OD1-N 2.7Å
688	Y	95.5	Very high	93.4	Very high	93 Å²	93	52.5 Å²	52.5	37%	0.365	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-152.1	146.6	-177.9	-176.6	-92.5	0	0	0	107.8	M686 I690 Y748 M749	M686-Y688 WeakPolarHBondContact CG-O 3.3Å; Y688-I690 PolarHBondContact O-N 3.4Å; Y688-I690 VanDerWaalsContact O-N 3.15Å; Y688-Y748 VanDerWaalsContact CE2-O 3.24Å; Y688-Y748 WeakPolarHBondContact CE2-O 3.25Å; Y688-Y748 PolarHBondContact OH-O 2.97Å; Y688-M749 WeakPolarHBondContact CD2-O 3.31Å; Y688-M749 HydrophobicContact CE1-CB 4.05Å; Y688-M749 HydrophobicContact CE2-CB 4.14Å
689	G	94	Very high	94.2	Very high	31 Å²	31	48.6 Å²	48.6	32%	0.32	26%	0.259	S	S	.	.	S	Bend	trans	74.2	-7	178.5	0	0	0	0	0	115.9	R691 M749	G689-R691 PolarHBondContact O-N 3.31Å; G689-M749 PolarHBondContact N-O 3.27Å; G689-M749 WeakPolarHBondContact O-CE 3.4Å
690	I	95.7	Very high	94.7	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	25%	0.254	C	S	.	.			trans	-75.5	112.3	178.7	-66	157.2	0	0	0	109.6	M686 Y688 L692 L701 L791 I794	M686-I690 HydrophobicContact CB-CD1 4.07Å; M686-I690 HydrophobicContact CE-CD1 4.11Å; M686-I690 HydrophobicContact CE-CG1 3.68Å; M686-I690 HydrophobicContact CG-CD1 3.98Å; M686-I690 HydrophobicContact CG-CG1 4.23Å; M686-I690 WeakPolarHBondContact O-CD1 3.21Å; Y688-I690 PolarHBondContact O-N 3.4Å; Y688-I690 VanDerWaalsContact O-N 3.15Å; I690-L692 HydrophobicContact CG2-CD1 4.43Å; I690-L692 HydrophobicContact CG2-CD2 4.4Å; I690-L692 HydrophobicContact CG2-CG 4.07Å; I690-L701 HydrophobicContact CD1-CD2 4.4Å; I690-L701 HydrophobicContact CG1-CD2 4.25Å; I690-L701 HydrophobicContact CG2-CD2 4.39Å; I690-L791 HydrophobicContact CG2-CB 4.31Å; I690-L791 HydrophobicContact CG2-CD2 4.12Å; I690-L791 HydrophobicContact CG2-CG 4.03Å; I690-I794 HydrophobicContact CD1-CG2 3.89Å
691	R	94.7	Very high	95	Very high	64 Å²	64	40.3 Å²	40.3	24%	0.242	23%	0.226	C	C	.	.			trans	-140.9	119	164.3	-59.8	-63.6	-176.1	-88	1	104.3	G689 T745 M749 G750	G689-R691 PolarHBondContact O-N 3.31Å; R691-T745 PolarHBondContact NH2-OG1 3.08Å; R691-M749 HydrophobicContact CG-CE 4.15Å; R691-M749 HydrophobicContact CG-SD 3.79Å; R691-G750 PolarHBondContact NH1-O 2.93Å; R691-G750 PolarHBondContact NH2-O 3.31Å
692	L	94.5	Very high	95.1	Very high	16 Å²	16	38.4 Å²	38.4	8%	0.084	21%	0.213	C	C	.	.			trans	-124.4	141	-178.3	-48.5	178.6	0	0	0	107.9	I690 E697 L698 L701 P788 E789 L791	I690-L692 HydrophobicContact CG2-CD1 4.43Å; I690-L692 HydrophobicContact CG2-CD2 4.4Å; I690-L692 HydrophobicContact CG2-CG 4.07Å; L692-E697 WeakPolarHBondContact CA-OE2 3.32Å; L692-E697 HydrophobicContact CB-CB 4.31Å; L692-E697 HydrophobicContact CD2-CB 4.18Å; L692-L698 HydrophobicContact CD1-CB 4.02Å; L692-L698 HydrophobicContact CD1-CD1 3.83Å; L692-L701 HydrophobicContact CD1-CD2 4.05Å; L692-L701 HydrophobicContact CD2-CD2 4.28Å; L692-P788 HydrophobicContact CB-CB 4.14Å; L692-E789 VanDerWaalsContact O-CA 3.3Å; L692-E789 WeakPolarHBondContact O-CA 3.39Å; L692-E789 PolarHBondContact O-N 2.92Å; L692-L791 HydrophobicContact CD1-CD2 3.93Å
693	S	92.9	Very high	95.2	Very high	98 Å²	98	41.3 Å²	41.3	69%	0.685	23%	0.226	S	C	*	.			trans	-110.6	-4.5	-180	-61.8	0	0	0	0	112.8	E697	S693-E697 PolarHBondContact N-OE2 3.05Å
694	S	94.2	Very high	95.2	Very high	41 Å²	41	38.8 Å²	38.8	29%	0.287	21%	0.209	S	C	.	.	S	Bend	trans	-147.5	162.7	-178.2	71.6	0	0	0	0	113.9	S696 E697 L698 P788	S694-S696 VanDerWaalsContact C-N 3.34Å; S694-E697 PolarHBondContact N-OE2 2.68Å; S694-E697 WeakPolarHBondContact OG-CG 3.23Å; S694-E697 PolarHBondContact OG-N 2.78Å; S694-E697 VanDerWaalsContact OG-N 3.14Å; S694-L698 PolarHBondContact O-N 3.39Å; S694-P788 WeakPolarHBondContact O-CB 3.43Å
695	R	93.1	Very high	95.3	Very high	133 Å²	133	38.8 Å²	38.8	50%	0.502	21%	0.209	S	C	.	.	H	α-helix	trans	-68.9	-32.1	171.4	-71.5	-175.3	178.8	161.7	4.9	112.1	E697 L698 E699 Y782 P786 P788	R695-E697 VanDerWaalsContact C-N 3.35Å; R695-E697 PolarHBondContact O-N 2.89Å; R695-L698 WeakPolarHBondContact O-CA 3.35Å; R695-L698 WeakPolarHBondContact O-CB 3.34Å; R695-L698 PolarHBondContact O-N 3.1Å; R695-L698 VanDerWaalsContact O-N 3.07Å; R695-E699 PolarHBondContact O-N 2.68Å; R695-Y782 HydrophobicContact CB-CE1 4.03Å; R695-Y782 HydrophobicContact CG-CE1 4.11Å; R695-P786 PolarHBondContact NE-O 3.02Å; R695-P786 PolarHBondContact NH2-O 3.09Å; R695-P788 HydrophobicContact CG-CG 3.75Å
696	S	94.6	Very high	95.3	Very high	64 Å²	64	36.8 Å²	36.8	45%	0.448	20%	0.195	S	C	.	.	H	α-helix	trans	-61.8	-39.8	175	-42.9	0	0	0	0	112.6	S694 L698 A700	S694-S696 VanDerWaalsContact C-N 3.34Å; S696-L698 VanDerWaalsContact C-N 3.33Å; S696-A700 WeakPolarHBondContact O-CB 3.43Å; S696-A700 PolarHBondContact O-N 3.4Å
697	E	95.1	Very high	95.4	Very high	37 Å²	37	39 Å²	39	17%	0.173	21%	0.205	C	C	.	.	H	α-helix	trans	-67.2	-33.6	172.5	-74.7	-179.2	147.1	0	0	112.6	L272 I276 L692 S693 S694 R695 L701	L272-E697 HydrophobicContact CD1-CG 3.89Å; L272-E697 HydrophobicContact CD2-CG 4.11Å; L272-E697 HydrophobicContact CG-CG 4.34Å; I276-E697 HydrophobicContact CD1-CB 4.26Å; I276-E697 HydrophobicContact CD1-CG 4.37Å; L692-E697 WeakPolarHBondContact CA-OE2 3.32Å; L692-E697 HydrophobicContact CB-CB 4.31Å; L692-E697 HydrophobicContact CD2-CB 4.18Å; S693-E697 PolarHBondContact N-OE2 3.05Å; S694-E697 PolarHBondContact N-OE2 2.68Å; S694-E697 WeakPolarHBondContact OG-CG 3.23Å; S694-E697 PolarHBondContact OG-N 2.78Å; S694-E697 VanDerWaalsContact OG-N 3.14Å; R695-E697 VanDerWaalsContact C-N 3.35Å; R695-E697 PolarHBondContact O-N 2.89Å; E697-L701 VanDerWaalsContact O-CB 3.28Å; E697-L701 WeakPolarHBondContact O-CB 3.19Å; E697-L701 PolarHBondContact O-N 3.07Å
698	L	95.2	Very high	95.3	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-69.2	-42.9	176	-178.1	58.1	0	0	0	111.7	L692 S694 R695 S696 L701 V702 V781 Y782 P788 L791	L692-L698 HydrophobicContact CD1-CB 4.02Å; L692-L698 HydrophobicContact CD1-CD1 3.83Å; S694-L698 PolarHBondContact O-N 3.39Å; R695-L698 WeakPolarHBondContact O-CA 3.35Å; R695-L698 WeakPolarHBondContact O-CB 3.34Å; R695-L698 PolarHBondContact O-N 3.1Å; R695-L698 VanDerWaalsContact O-N 3.07Å; S696-L698 VanDerWaalsContact C-N 3.33Å; L698-L701 PolarHBondContact O-N 3.26Å; L698-V702 HydrophobicContact CD1-CG2 4.49Å; L698-V702 VanDerWaalsContact O-CG2 3.26Å; L698-V702 WeakPolarHBondContact O-CG2 3.47Å; L698-V702 PolarHBondContact O-N 2.84Å; L698-V781 HydrophobicContact CD1-CG1 3.78Å; L698-V781 HydrophobicContact CD2-CG1 4Å; L698-V781 HydrophobicContact CG-CG1 3.99Å; L698-Y782 HydrophobicContact CD2-CD1 4.27Å; L698-Y782 HydrophobicContact CD2-CE1 4.34Å; L698-P788 HydrophobicContact CB-CB 4.44Å; L698-P788 HydrophobicContact CD2-CB 4.34Å; L698-P788 HydrophobicContact CD2-CG 4.15Å; L698-L791 HydrophobicContact CD1-CD2 3.59Å
699	E	95.5	Very high	95.3	Very high	56 Å²	56	33.6 Å²	33.6	26%	0.262	18%	0.182	S	C	.	.	H	α-helix	trans	-60.2	-51.6	172.6	-71.4	-170.3	153.6	0	0	111.5	R695 L701 V702 Q703 V778 Y782	R695-E699 PolarHBondContact O-N 2.68Å; E699-L701 VanDerWaalsContact C-N 3.33Å; E699-L701 PolarHBondContact O-N 3.42Å; E699-V702 PolarHBondContact O-N 2.79Å; E699-V702 VanDerWaalsContact O-N 3.13Å; E699-Q703 WeakPolarHBondContact O-CB 3.48Å; E699-Q703 PolarHBondContact O-N 3.05Å; E699-V778 HydrophobicContact CG-CG2 3.88Å; E699-Y782 HydrophobicContact CG-CE1 4.37Å; E699-Y782 HydrophobicContact CG-CE2 4.32Å; E699-Y782 WeakPolarHBondContact CG-OH 3.25Å; E699-Y782 WeakPolarHBondContact OE1-CE2 3.47Å; E699-Y782 VanDerWaalsContact OE1-CZ 3.3Å; E699-Y782 PolarHBondContact OE1-OH 2.82Å
700	A	95.7	Very high	95.4	Very high	10 Å²	10	32.1 Å²	32.1	8%	0.083	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-42.2	179	0	0	0	0	0	111.9	K273 I276 S696 Q703 S704	K273-A700 HydrophobicContact CB-CB 4.46Å; I276-A700 HydrophobicContact CD1-CB 3.56Å; S696-A700 WeakPolarHBondContact O-CB 3.43Å; S696-A700 PolarHBondContact O-N 3.4Å; A700-Q703 PolarHBondContact O-N 3Å; A700-S704 PolarHBondContact O-N 2.84Å; A700-S704 PolarHBondContact O-OG 3.02Å; A700-S704 VanDerWaalsContact O-OG 3.09Å
701	L	96.2	Very high	95.3	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-41.4	174.5	178	61.7	0	0	0	112.8	I276 M686 I690 L692 E697 L698 E699 Q703 L705 L791 I794	I276-L701 HydrophobicContact CG2-CB 4.12Å; I276-L701 HydrophobicContact CG2-CD1 4.03Å; M686-L701 HydrophobicContact CE-CD1 3.66Å; I690-L701 HydrophobicContact CD1-CD2 4.4Å; I690-L701 HydrophobicContact CG1-CD2 4.25Å; I690-L701 HydrophobicContact CG2-CD2 4.39Å; L692-L701 HydrophobicContact CD1-CD2 4.05Å; L692-L701 HydrophobicContact CD2-CD2 4.28Å; E697-L701 VanDerWaalsContact O-CB 3.28Å; E697-L701 WeakPolarHBondContact O-CB 3.19Å; E697-L701 PolarHBondContact O-N 3.07Å; L698-L701 PolarHBondContact O-N 3.26Å; E699-L701 VanDerWaalsContact C-N 3.33Å; E699-L701 PolarHBondContact O-N 3.42Å; L701-Q703 VanDerWaalsContact C-N 3.34Å; L701-L705 HydrophobicContact CD1-CD1 3.88Å; L701-L705 HydrophobicContact CD1-CG 4.22Å; L701-L705 HydrophobicContact CG-CD1 4Å; L701-L705 WeakPolarHBondContact O-CB 3.26Å; L701-L705 WeakPolarHBondContact O-CD1 3.21Å; L701-L705 WeakPolarHBondContact O-CG 3.21Å; L701-L705 PolarHBondContact O-N 2.81Å; L701-L791 HydrophobicContact CD2-CD2 4.31Å; L701-I794 HydrophobicContact CD2-CG2 3.88Å; L701-I794 HydrophobicContact CG-CG2 4.32Å
702	V	97	Very high	95.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-39.3	175.8	172.4	0	0	0	0	110.7	L698 E699 C706 Y774 A777 V778 V781 I794	L698-V702 HydrophobicContact CD1-CG2 4.49Å; L698-V702 VanDerWaalsContact O-CG2 3.26Å; L698-V702 WeakPolarHBondContact O-CG2 3.47Å; L698-V702 PolarHBondContact O-N 2.84Å; E699-V702 PolarHBondContact O-N 2.79Å; E699-V702 VanDerWaalsContact O-N 3.13Å; V702-C706 WeakPolarHBondContact O-CB 3.27Å; V702-C706 PolarHBondContact O-N 3.43Å; V702-C706 PolarHBondContact O-SG 3.45Å; V702-Y774 HydrophobicContact CB-CE2 4.46Å; V702-Y774 HydrophobicContact CG1-CD2 4Å; V702-Y774 HydrophobicContact CG1-CE2 4.24Å; V702-A777 HydrophobicContact CG1-CB 3.53Å; V702-V778 HydrophobicContact CG1-CB 4.41Å; V702-V781 HydrophobicContact CG2-CB 4.3Å; V702-V781 HydrophobicContact CG2-CG1 4.12Å; V702-V781 HydrophobicContact CG2-CG2 3.97Å; V702-I794 HydrophobicContact CG2-CD1 3.84Å
703	Q	96.9	Very high	95	Very high	68 Å²	68	31.7 Å²	31.7	32%	0.318	17%	0.167	S	C	.	.	H	α-helix	trans	-63.7	-53.5	175.8	-174.9	179.9	-17.5	0	0	111.7	K273 E699 A700 L701 L705 C706 E707 Y774	K273-Q703 VanDerWaalsContact CE-NE2 3.33Å; E699-Q703 WeakPolarHBondContact O-CB 3.48Å; E699-Q703 PolarHBondContact O-N 3.05Å; A700-Q703 PolarHBondContact O-N 3Å; L701-Q703 VanDerWaalsContact C-N 3.34Å; Q703-L705 VanDerWaalsContact C-N 3.25Å; Q703-L705 PolarHBondContact O-N 3.47Å; Q703-C706 WeakPolarHBondContact O-CA 3.39Å; Q703-C706 WeakPolarHBondContact O-CB 3.48Å; Q703-C706 PolarHBondContact O-N 2.98Å; Q703-E707 VanDerWaalsContact CG-OE1 3.29Å; Q703-E707 WeakPolarHBondContact CG-OE1 3.41Å; Q703-E707 PolarHBondContact NE2-OE1 3.09Å; Q703-E707 PolarHBondContact O-N 3.42Å; Q703-Y774 HydrophobicContact CB-CD2 3.85Å; Q703-Y774 HydrophobicContact CB-CE2 3.88Å; Q703-Y774 HydrophobicContact CG-CD2 4.42Å
704	S	96.3	Very high	94.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-55.9	-38.6	177.3	-61.1	0	0	0	0	112.5	D277 A700 E708	D277-S704 WeakPolarHBondContact OD1-CB 3.04Å; D277-S704 PolarHBondContact OD1-OG 2.84Å; A700-S704 PolarHBondContact O-N 2.84Å; A700-S704 PolarHBondContact O-OG 3.02Å; A700-S704 VanDerWaalsContact O-OG 3.09Å; S704-E708 WeakPolarHBondContact O-CB 3.45Å; S704-E708 PolarHBondContact O-N 3.35Å
705	L	96.6	Very high	94.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-72	-31.8	175.3	-74.4	168.1	0	0	0	113.3	L280 A684 L701 Q703 L709 I794 L796	L280-L705 HydrophobicContact CD1-CD2 3.78Å; L280-L705 HydrophobicContact CD2-CD2 4.07Å; L280-L705 HydrophobicContact CD2-CG 4.39Å; A684-L705 HydrophobicContact CB-CD2 4.26Å; L701-L705 HydrophobicContact CD1-CD1 3.88Å; L701-L705 HydrophobicContact CD1-CG 4.22Å; L701-L705 HydrophobicContact CG-CD1 4Å; L701-L705 WeakPolarHBondContact O-CB 3.26Å; L701-L705 WeakPolarHBondContact O-CD1 3.21Å; L701-L705 WeakPolarHBondContact O-CG 3.21Å; L701-L705 PolarHBondContact O-N 2.81Å; Q703-L705 VanDerWaalsContact C-N 3.25Å; Q703-L705 PolarHBondContact O-N 3.47Å; L705-L709 WeakPolarHBondContact O-CB 3.48Å; L705-L709 PolarHBondContact O-N 3.05Å; L705-I794 HydrophobicContact CD1-CB 4.37Å; L705-I794 HydrophobicContact CD1-CD1 4.32Å; L705-I794 HydrophobicContact CD1-CG1 4.13Å; L705-I794 HydrophobicContact CD1-CG2 3.43Å; L705-I794 VanDerWaalsContact CD1-CG2 3.43Å; L705-L796 HydrophobicContact CB-CD1 3.76Å; L705-L796 HydrophobicContact CB-CG 4.39Å
706	C	97.5	Very high	93.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.4	-39.6	172.3	-70.5	0	0	0	0	111.6	V702 Q703 S710 L773 L796	V702-C706 WeakPolarHBondContact O-CB 3.27Å; V702-C706 PolarHBondContact O-N 3.43Å; V702-C706 PolarHBondContact O-SG 3.45Å; Q703-C706 WeakPolarHBondContact O-CA 3.39Å; Q703-C706 WeakPolarHBondContact O-CB 3.48Å; Q703-C706 PolarHBondContact O-N 2.98Å; C706-S710 WeakPolarHBondContact O-CB 3.18Å; C706-S710 PolarHBondContact O-N 2.93Å; C706-L773 HydrophobicContact CB-CB 4.28Å; C706-L796 WeakPolarHBondContact SG-CD1 3.37Å
707	E	96.4	Very high	92.5	Very high	60 Å²	60	29.7 Å²	29.7	28%	0.28	14%	0.136	S	C	.	.	H	α-helix	trans	-66	-45.8	175.9	-70.9	171.1	-165.4	0	0	111.7	K273 Q703 S710 S711 A770	K273-E707 WeakPolarHBondContact CE-OE1 3.47Å; K273-E707 VanDerWaalsContact CE-OE2 3.24Å; K273-E707 WeakPolarHBondContact CE-OE2 3.37Å; K273-E707 IonicContact NZ-OE1 3.18Å; K273-E707 IonicContact NZ-OE2 2.71Å; K273-E707 PolarHBondContact NZ-OE2 3.14Å; Q703-E707 VanDerWaalsContact CG-OE1 3.29Å; Q703-E707 WeakPolarHBondContact CG-OE1 3.41Å; Q703-E707 PolarHBondContact NE2-OE1 3.09Å; Q703-E707 PolarHBondContact O-N 3.42Å; E707-S710 WeakPolarHBondContact O-CB 3.28Å; E707-S710 PolarHBondContact O-N 2.94Å; E707-S711 WeakPolarHBondContact O-CB 3.44Å; E707-S711 PolarHBondContact O-N 3.37Å; E707-A770 HydrophobicContact CG-CB 3.93Å
708	E	94	Very high	90.9	Very high	17 Å²	17	29.8 Å²	29.8	8%	0.079	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-44.5	174.2	174.9	64	-166.5	0	0	112.1	L234 L280 Y284 A684 S704 S711 R712	L234-E708 HydrophobicContact CD1-CB 4.37Å; L280-E708 HydrophobicContact CD2-CB 4.29Å; Y284-E708 HydrophobicContact CE2-CG 3.9Å; A684-E708 HydrophobicContact CB-CB 4.47Å; A684-E708 HydrophobicContact CB-CG 4.01Å; S704-E708 WeakPolarHBondContact O-CB 3.45Å; S704-E708 PolarHBondContact O-N 3.35Å; E708-S711 PolarHBondContact O-N 3.19Å; E708-R712 WeakPolarHBondContact O-CG 3.28Å; E708-R712 PolarHBondContact O-N 3.32Å; E708-R712 IonicContact OE1-CZ 3.56Å; E708-R712 IonicContact OE1-NE 3.57Å; E708-R712 PolarHBondContact OE1-NE 3.45Å; E708-R712 IonicContact OE1-NH2 2.74Å; E708-R712 PolarHBondContact OE1-NH2 2.91Å
709	L	96.1	Very high	89.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-44	175.1	172.9	58.2	0	0	0	111.7	V682 A684 L705 S711 R712 M713 L730 L773 L796 V798	V682-L709 HydrophobicContact CB-CD1 4.17Å; V682-L709 HydrophobicContact CG1-CD1 4Å; A684-L709 HydrophobicContact CB-CB 4Å; L705-L709 WeakPolarHBondContact O-CB 3.48Å; L705-L709 PolarHBondContact O-N 3.05Å; L709-S711 VanDerWaalsContact C-N 3.35Å; L709-S711 PolarHBondContact O-N 2.92Å; L709-R712 PolarHBondContact O-N 2.97Å; L709-M713 HydrophobicContact CD1-CG 4.24Å; L709-M713 HydrophobicContact CD1-SD 4.21Å; L709-M713 HydrophobicContact CG-SD 4.25Å; L709-M713 WeakPolarHBondContact O-CG 3.44Å; L709-M713 PolarHBondContact O-N 3.4Å; L709-L730 HydrophobicContact CD2-CD1 4.4Å; L709-L773 HydrophobicContact CD2-CD1 4.47Å; L709-L773 HydrophobicContact CG-CD1 4.5Å; L709-L796 HydrophobicContact CD2-CB 3.62Å; L709-V798 HydrophobicContact CD2-CG2 4.09Å
710	S	95.9	Very high	87.1	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-61	-41.4	175.9	178.3	0	0	0	0	111.6	C706 E707 M713 R714 A768 A770	C706-S710 WeakPolarHBondContact O-CB 3.18Å; C706-S710 PolarHBondContact O-N 2.93Å; E707-S710 WeakPolarHBondContact O-CB 3.28Å; E707-S710 PolarHBondContact O-N 2.94Å; S710-M713 PolarHBondContact O-N 3.14Å; S710-R714 PolarHBondContact O-N 2.92Å; S710-R714 VanDerWaalsContact O-N 3.13Å; S710-R714 PolarHBondContact O-NH1 3.07Å; S710-R714 VanDerWaalsContact OG-CZ 3.25Å; S710-R714 PolarHBondContact OG-NH1 3.24Å; S710-R714 PolarHBondContact OG-NH2 3.43Å; S710-R714 VanDerWaalsContact OG-NH2 3.1Å; S710-A768 WeakPolarHBondContact CB-O 3.42Å; S710-A768 PolarHBondContact OG-O 3.49Å; S710-A770 PolarHBondContact OG-N 3Å
711	S	92	Very high	85.1	Confident	25 Å²	25	39.8 Å²	39.8	18%	0.175	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-50.6	172.2	-174.3	0	0	0	0	111.4	E707 E708 L709 M713 R714 N715	E707-S711 WeakPolarHBondContact O-CB 3.44Å; E707-S711 PolarHBondContact O-N 3.37Å; E708-S711 PolarHBondContact O-N 3.19Å; L709-S711 VanDerWaalsContact C-N 3.35Å; L709-S711 PolarHBondContact O-N 2.92Å; S711-M713 VanDerWaalsContact C-N 3.28Å; S711-M713 PolarHBondContact O-N 3.36Å; S711-R714 PolarHBondContact O-N 2.89Å; S711-N715 WeakPolarHBondContact O-CB 3.5Å; S711-N715 PolarHBondContact O-N 3.26Å; S711-N715 PolarHBondContact O-ND2 3.28Å; S711-N715 VanDerWaalsContact O-ND2 3.08Å; S711-N715 PolarHBondContact OG-ND2 3.22Å
712	R	92.1	Very high	83.4	Confident	49 Å²	49	45 Å²	45	19%	0.185	23%	0.228	C	C	.	.	H	α-helix	trans	-56.6	-40.2	176.1	-70.2	171.6	-172	-152	-4.5	112.7	H290 V682 S683 E708 L709 N715 I716	H290-R712 PolarHBondContact CE1-NH2 3.35Å; V682-R712 HydrophobicContact CG1-CB 3.65Å; S683-R712 WeakPolarHBondContact O-CD 3.46Å; S683-R712 PolarHBondContact O-NH1 2.74Å; E708-R712 WeakPolarHBondContact O-CG 3.28Å; E708-R712 PolarHBondContact O-N 3.32Å; E708-R712 IonicContact OE1-CZ 3.56Å; E708-R712 IonicContact OE1-NE 3.57Å; E708-R712 PolarHBondContact OE1-NE 3.45Å; E708-R712 IonicContact OE1-NH2 2.74Å; E708-R712 PolarHBondContact OE1-NH2 2.91Å; L709-R712 PolarHBondContact O-N 2.97Å; R712-N715 PolarHBondContact O-N 3.34Å; R712-I716 WeakPolarHBondContact O-CD1 3.39Å; R712-I716 WeakPolarHBondContact O-CG1 3.41Å; R712-I716 PolarHBondContact O-N 3.38Å
713	M	92.7	Very high	82.1	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.7	-42.3	178.5	-75.5	179.7	68.2	0	0	112.7	V682 L709 S710 S711 N715 C725 T767 A768 L773 V798	V682-M713 HydrophobicContact CB-CG 3.75Å; V682-M713 HydrophobicContact CG1-CG 3.86Å; V682-M713 HydrophobicContact CG2-CG 3.83Å; L709-M713 HydrophobicContact CD1-CG 4.24Å; L709-M713 HydrophobicContact CD1-SD 4.21Å; L709-M713 HydrophobicContact CG-SD 4.25Å; L709-M713 WeakPolarHBondContact O-CG 3.44Å; L709-M713 PolarHBondContact O-N 3.4Å; S710-M713 PolarHBondContact O-N 3.14Å; S711-M713 VanDerWaalsContact C-N 3.28Å; S711-M713 PolarHBondContact O-N 3.36Å; M713-N715 VanDerWaalsContact C-N 3.3Å; M713-N715 PolarHBondContact O-N 3.42Å; M713-C725 PolarHBondContact O-N 3.33Å; M713-C725 PolarHBondContact O-SG 2.99Å; M713-T767 VanDerWaalsContact CE-O 3.27Å; M713-T767 WeakPolarHBondContact CE-O 3.42Å; M713-A768 HydrophobicContact CB-CB 4.1Å; M713-A768 HydrophobicContact CE-CB 3.96Å; M713-L773 HydrophobicContact SD-CD1 4.44Å; M713-V798 HydrophobicContact CE-CB 4.19Å; M713-V798 HydrophobicContact CE-CG1 3.79Å; M713-V798 HydrophobicContact CE-CG2 4.48Å; M713-V798 HydrophobicContact SD-CB 3.9Å; M713-V798 HydrophobicContact SD-CG1 4.18Å; M713-V798 HydrophobicContact SD-CG2 3.88Å
714	R	89.7	Confident	81.4	Confident	133 Å²	133	46.5 Å²	46.5	50%	0.502	24%	0.239	S	C	.	.	H	α-helix	trans	-64.3	-34.7	172.5	-67.1	-173.1	-163.9	83.1	-0.5	112.3	S710 S711 I716 G724	S710-R714 PolarHBondContact O-N 2.92Å; S710-R714 VanDerWaalsContact O-N 3.13Å; S710-R714 PolarHBondContact O-NH1 3.07Å; S710-R714 VanDerWaalsContact OG-CZ 3.25Å; S710-R714 PolarHBondContact OG-NH1 3.24Å; S710-R714 PolarHBondContact OG-NH2 3.43Å; S710-R714 VanDerWaalsContact OG-NH2 3.1Å; S711-R714 PolarHBondContact O-N 2.89Å; R714-I716 PolarHBondContact O-N 3.42Å; R714-G724 WeakPolarHBondContact O-CA 3.38Å
715	N	83	Confident	81.1	Confident	52 Å²	52	46.6 Å²	46.6	28%	0.278	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	24.2	-172.5	-60.8	-27	0	0	0	114.7	P231 K297 S711 R712 M713	P231-N715 WeakPolarHBondContact CB-OD1 3.44Å; P231-N715 HydrophobicContact CG-CB 4.1Å; P231-N715 VanDerWaalsContact CG-CG 3.49Å; K297-N715 PolarHBondContact NZ-O 2.98Å; S711-N715 WeakPolarHBondContact O-CB 3.5Å; S711-N715 PolarHBondContact O-N 3.26Å; S711-N715 PolarHBondContact O-ND2 3.28Å; S711-N715 VanDerWaalsContact O-ND2 3.08Å; S711-N715 PolarHBondContact OG-ND2 3.22Å; R712-N715 PolarHBondContact O-N 3.34Å; M713-N715 VanDerWaalsContact C-N 3.3Å; M713-N715 PolarHBondContact O-N 3.42Å
716	I	79	Confident	81	Confident	15 Å²	15	48.2 Å²	48.2	8%	0.077	25%	0.25	C	C	.	.			trans	-113.4	110.4	172.5	-71.7	160.5	0	0	0	108.8	Y679 V682 R712 R714 M718	Y679-I716 HydrophobicContact CD2-CG2 3.76Å; Y679-I716 HydrophobicContact CE2-CG2 4.25Å; Y679-I716 HydrophobicContact CG-CG2 4.18Å; V682-I716 HydrophobicContact CB-CD1 4.2Å; V682-I716 HydrophobicContact CG1-CD1 3.71Å; V682-I716 HydrophobicContact CG2-CD1 3.44Å; V682-I716 VanDerWaalsContact CG2-CD1 3.44Å; R712-I716 WeakPolarHBondContact O-CD1 3.39Å; R712-I716 WeakPolarHBondContact O-CG1 3.41Å; R712-I716 PolarHBondContact O-N 3.38Å; R714-I716 PolarHBondContact O-N 3.42Å; I716-M718 HydrophobicContact CG2-CG 4.09Å; I716-M718 HydrophobicContact CG2-SD 4.01Å; I716-M718 PolarHBondContact O-N 3.09Å; I716-M718 VanDerWaalsContact O-N 3.1Å
717	K	68.9	Low	80.9	Confident	94 Å²	94	48.2 Å²	48.2	41%	0.409	25%	0.25	S	C	.	.			trans	-60.8	109.4	166.8	-60.4	-176.6	-176	-178.7	0	108.1	E305 N722	E305-K717 IonicContact OE1-NZ 2.98Å; E305-K717 PolarHBondContact OE1-NZ 2.86Å; K717-N722 WeakPolarHBondContact CE-OD1 3.26Å
718	M	62.7	Low	80.8	Confident	40 Å²	40	48.4 Å²	48.4	20%	0.197	25%	0.25	C	C	.	.	S	Bend	trans	-97.2	1	170.9	-71.6	-69.5	-81.7	0	0	112.1	Y679 I716 C725 L801 Q803	Y679-M718 HydrophobicContact CD2-SD 4.28Å; I716-M718 HydrophobicContact CG2-CG 4.09Å; I716-M718 HydrophobicContact CG2-SD 4.01Å; I716-M718 PolarHBondContact O-N 3.09Å; I716-M718 VanDerWaalsContact O-N 3.1Å; M718-C725 HydrophobicContact CG-CB 3.74Å; M718-L801 HydrophobicContact CE-CB 4.14Å; M718-Q803 HydrophobicContact CB-CG 3.67Å; M718-Q803 PolarHBondContact O-NE2 3.22Å
719	S	57.2	Low	81	Confident	34 Å²	34	48 Å²	48	24%	0.238	25%	0.248	C	C	.	.	S	Bend	trans	-161.5	-178.8	178.2	84.8	0	0	0	0	110.6	M721	S719-M721 VanDerWaalsContact C-N 3.29Å; S719-M721 WeakPolarHBondContact OG-CA 3.19Å; S719-M721 WeakPolarHBondContact OG-CB 3.39Å; S719-M721 PolarHBondContact OG-N 3.41Å; S719-M721 PolarHBondContact OG-O 2.92Å
720	S	52.7	Low	81	Confident	115 Å²	115	48 Å²	48	80%	0.804	25%	0.248	S	C	*	.	S	Bend	trans	-70.2	-22.5	168	51.1	0	0	0	0	113.7
721	M	54.6	Low	81.1	Confident	129 Å²	129	48.5 Å²	48.5	64%	0.635	25%	0.252	S	S	*	.	S	Bend	trans	-74.7	132.8	164.2	-62.1	-61.4	176	0	0	108.4	S719 E723	S719-M721 VanDerWaalsContact C-N 3.29Å; S719-M721 WeakPolarHBondContact OG-CA 3.19Å; S719-M721 WeakPolarHBondContact OG-CB 3.39Å; S719-M721 PolarHBondContact OG-N 3.41Å; S719-M721 PolarHBondContact OG-O 2.92Å; M721-E723 HydrophobicContact CB-CG 4.42Å; M721-E723 PolarHBondContact O-N 3.46Å
722	N	60.2	Low	81.4	Confident	112 Å²	112	47.3 Å²	47.3	60%	0.599	24%	0.243	S	C	*	.			trans	-75.3	30	-169.1	-132	8.5	0	0	0	113.4	K717	K717-N722 WeakPolarHBondContact CE-OD1 3.26Å
723	E	69.5	Low	81.7	Confident	85 Å²	85	48.3 Å²	48.3	40%	0.397	25%	0.249	S	C	.	.			trans	-84.7	137.6	179.7	-61.5	-177.2	157.5	0	0	110.9	M721 G805	M721-E723 HydrophobicContact CB-CG 4.42Å; M721-E723 PolarHBondContact O-N 3.46Å; E723-G805 WeakPolarHBondContact OE2-CA 3.4Å; E723-G805 PolarHBondContact OE2-N 2.73Å
724	G	82.7	Confident	81.9	Confident	16 Å²	16	48.3 Å²	48.3	17%	0.165	25%	0.249	C	C	.	.			trans	-71.9	-172	174.9	0	0	0	0	0	113.7	R714 G804	R714-G724 WeakPolarHBondContact O-CA 3.38Å; G724-G804 WeakPolarHBondContact O-CA 3.47Å; G724-G804 PolarHBondContact O-N 3.38Å
725	C	90.1	Very high	82.3	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.014	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	146.9	174.7	70.5	0	0	0	0	112.7	V682 M713 M718 Q802	V682-C725 VanDerWaalsContact CG2-SG 3.56Å; M713-C725 PolarHBondContact O-N 3.33Å; M713-C725 PolarHBondContact O-SG 2.99Å; M718-C725 HydrophobicContact CG-CB 3.74Å; C725-Q802 WeakPolarHBondContact CA-O 3.22Å
726	V	94	Very high	83	Confident	33 Å²	33	42.4 Å²	42.4	20%	0.2	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	156.9	165.3	-69.1	0	0	0	0	108.8	H766 A768 L801 Q802	V726-H766 HydrophobicContact CB-CB 4.04Å; V726-H766 HydrophobicContact CG2-CB 3.72Å; V726-A768 HydrophobicContact CG1-CB 4.08Å; V726-L801 CarbonylContact O-C 3.55Å; V726-L801 VanDerWaalsContact O-CA 3.29Å; V726-L801 WeakPolarHBondContact O-CA 3.35Å; V726-Q802 HydrophobicContact CG2-CB 4.19Å; V726-Q802 PolarHBondContact N-O 3.33Å; V726-Q802 PolarHBondContact O-N 2.9Å
727	G	94.5	Very high	83.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	160.8	177.9	0	0	0	0	0	114	M763 H766 T767 Q800	G727-M763 WeakPolarHBondContact O-CE 3.37Å; G727-H766 WeakPolarHBondContact O-CA 3.42Å; G727-T767 PolarHBondContact N-O 2.83Å; G727-T767 PolarHBondContact O-N 3.21Å; G727-Q800 VanDerWaalsContact CA-O 3.3Å; G727-Q800 WeakPolarHBondContact CA-O 3.18Å
728	K	95.6	Very high	85.1	Confident	65 Å²	65	40.6 Å²	40.6	28%	0.283	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-18.5	-170.6	-173.4	163.4	-172.3	160.3	0	115	M763 T764 H799 Q800	K728-M763 WeakPolarHBondContact CE-O 3.45Å; K728-M763 WeakPolarHBondContact O-CB 3.29Å; K728-M763 PolarHBondContact O-N 3.38Å; K728-T764 VanDerWaalsContact CE-O 3.25Å; K728-T764 WeakPolarHBondContact CE-O 3.47Å; K728-T764 PolarHBondContact NZ-O 2.93Å; K728-H799 PolarHBondContact N-O 3.07Å; K728-Q800 HydrophobicContact CB-CB 4.34Å; K728-Q800 PolarHBondContact N-O 2.82Å
729	S	96.9	Very high	86.4	Confident	7 Å²	7	42.9 Å²	42.9	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	103.6	-169.6	176.5	0	0	0	0	111.5	T760 I761 Q762 V798 H799	S729-T760 WeakPolarHBondContact OG-CG2 3.28Å; S729-I761 CarbonylContact C-O 3.56Å; S729-I761 WeakPolarHBondContact CA-O 3.45Å; S729-Q762 PolarHBondContact OG-NE2 2.97Å; S729-V798 CarbonylContact O-C 3.19Å; S729-V798 WeakPolarHBondContact O-CA 3.29Å; S729-H799 PolarHBondContact N-O 3.35Å; S729-H799 VanDerWaalsContact N-O 3.16Å; S729-H799 PolarHBondContact O-N 2.94Å
730	L	97.7	Very high	88	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	113.5	-179.7	175.5	60.9	0	0	0	111	L709 I732 T760 I761 M763 L773 A777 L796 V798	L709-L730 HydrophobicContact CD2-CD1 4.4Å; L730-I732 HydrophobicContact CG-CG1 4.25Å; L730-T760 WeakPolarHBondContact O-CA 3.02Å; L730-I761 PolarHBondContact N-O 3.35Å; L730-I761 PolarHBondContact O-N 2.99Å; L730-M763 HydrophobicContact CB-SD 4.33Å; L730-L773 HydrophobicContact CD1-CD2 4.31Å; L730-L773 HydrophobicContact CD2-CD2 4.16Å; L730-A777 HydrophobicContact CD2-CB 4.41Å; L730-L796 HydrophobicContact CD1-CB 4.43Å; L730-V798 HydrophobicContact CD1-CG2 3.89Å
731	T	97.8	Very high	89.9	Confident	13 Å²	13	39.1 Å²	39.1	8%	0.08	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.7	170.1	-59.7	0	0	0	0	110.3	H759 T760 Q797 H799	T731-H759 WeakPolarHBondContact CA-O 3.49Å; T731-T760 WeakPolarHBondContact OG1-CG2 3.43Å; T731-T760 PolarHBondContact OG1-OG1 3.22Å; T731-Q797 PolarHBondContact N-O 3.07Å; T731-Q797 PolarHBondContact O-N 3.38Å; T731-H799 WeakPolarHBondContact CB-NE2 3.37Å; T731-H799 PolarHBondContact OG1-CD2 3.39Å; T731-H799 PolarHBondContact OG1-NE2 2.94Å
732	I	97.8	Very high	91.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.8	176.3	-57.1	169.5	0	0	0	107.7	L730 L734 N758 H759 I761 A777 T780 V781 L796	L730-I732 HydrophobicContact CG-CG1 4.25Å; I732-L734 HydrophobicContact CG2-CD2 4.2Å; I732-L734 HydrophobicContact CG2-CG 4.25Å; I732-N758 CarbonylContact O-C 3.6Å; I732-N758 WeakPolarHBondContact O-CA 3.41Å; I732-H759 PolarHBondContact N-O 3.34Å; I732-H759 PolarHBondContact O-N 2.99Å; I732-I761 HydrophobicContact CD1-CD1 3.69Å; I732-A777 HydrophobicContact CD1-CB 4.3Å; I732-T780 HydrophobicContact CD1-CG2 3.74Å; I732-V781 HydrophobicContact CG2-CG2 3.95Å; I732-L796 HydrophobicContact CB-CD2 4.38Å; I732-L796 HydrophobicContact CG1-CD2 3.9Å; I732-L796 HydrophobicContact CG2-CD2 4.09Å
733	K	97.7	Very high	93.2	Very high	69 Å²	69	36.3 Å²	36.3	30%	0.3	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.3	178.8	-178.3	178.2	-167.8	-166.1	0	109.5	Y735 I756 T757 N758 I794 G795	K733-Y735 HydrophobicContact CD-CE2 3.9Å; K733-Y735 HydrophobicContact CG-CD2 4.48Å; K733-Y735 HydrophobicContact CG-CE2 4.04Å; K733-Y735 PolarHBondContact NZ-OH 3.08Å; K733-I756 HydrophobicContact CD-CG2 4.42Å; K733-I756 HydrophobicContact CG-CG2 4.15Å; K733-T757 WeakPolarHBondContact CA-O 3.43Å; K733-N758 WeakPolarHBondContact CD-OD1 3.21Å; K733-N758 VanDerWaalsContact CG-OD1 3.29Å; K733-N758 WeakPolarHBondContact CG-OD1 3.14Å; K733-I794 CarbonylContact O-C 3.5Å; K733-I794 WeakPolarHBondContact O-CA 3.09Å; K733-G795 PolarHBondContact N-O 3.43Å; K733-G795 PolarHBondContact O-N 3.09Å
734	L	97.7	Very high	94.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.5	178.4	-56	173.9	0	0	0	110.3	I732 L736 I756 T757 V781 L784 C785 L791 I794	I732-L734 HydrophobicContact CG2-CD2 4.2Å; I732-L734 HydrophobicContact CG2-CG 4.25Å; L734-L736 HydrophobicContact CB-CD2 4.26Å; L734-L736 HydrophobicContact CB-CG 4.37Å; L734-I756 WeakPolarHBondContact O-CA 3.32Å; L734-T757 PolarHBondContact N-O 3.2Å; L734-T757 PolarHBondContact O-N 3.28Å; L734-V781 HydrophobicContact CD2-CG2 4.36Å; L734-L784 HydrophobicContact CD1-CB 3.6Å; L734-L784 HydrophobicContact CD1-CD1 4.25Å; L734-C785 HydrophobicContact CD1-CB 4.25Å; L734-L791 HydrophobicContact CB-CD1 4.32Å; L734-L791 HydrophobicContact CD2-CD1 3.93Å; L734-I794 HydrophobicContact CD2-CB 3.99Å; L734-I794 HydrophobicContact CD2-CD1 3.77Å; L734-I794 HydrophobicContact CD2-CG1 3.73Å
735	Y	97.7	Very high	94.6	Very high	31 Å²	31	37.7 Å²	37.7	12%	0.122	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	108	169.9	-68.7	-120.8	0	0	0	106.3	N687 K733 C754 S755 I756 R792 G793	N687-Y735 VanDerWaalsContact OD1-CD2 3.25Å; N687-Y735 WeakPolarHBondContact OD1-CD2 3.35Å; N687-Y735 WeakPolarHBondContact OD1-CE2 3.45Å; K733-Y735 HydrophobicContact CD-CE2 3.9Å; K733-Y735 HydrophobicContact CG-CD2 4.48Å; K733-Y735 HydrophobicContact CG-CE2 4.04Å; K733-Y735 PolarHBondContact NZ-OH 3.08Å; Y735-C754 HydrophobicContact CD1-CB 4.28Å; Y735-S755 WeakPolarHBondContact CA-O 3.5Å; Y735-I756 HydrophobicContact CD1-CD1 3.84Å; Y735-I756 HydrophobicContact CD1-CG1 3.78Å; Y735-I756 HydrophobicContact CE1-CD1 3.48Å; Y735-I756 VanDerWaalsContact CE1-CD1 3.48Å; Y735-I756 HydrophobicContact CE1-CG1 3.93Å; Y735-I756 HydrophobicContact CE2-CG2 4.34Å; Y735-I756 HydrophobicContact CG-CG1 4.21Å; Y735-R792 WeakPolarHBondContact O-CA 3.19Å; Y735-R792 PolarHBondContact O-N 3.4Å; Y735-G793 PolarHBondContact N-O 2.77Å; Y735-G793 PolarHBondContact O-N 2.96Å
736	L	96.8	Very high	94.5	Very high	30 Å²	30	42.9 Å²	42.9	16%	0.157	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.9	-178.8	-55	173.6	0	0	0	108.5	L734 L738 C754 S755 L784 C785 D790 L791	L734-L736 HydrophobicContact CB-CD2 4.26Å; L734-L736 HydrophobicContact CB-CG 4.37Å; L736-L738 PolarHBondContact O-N 2.8Å; L736-C754 CarbonylContact O-C 3.57Å; L736-C754 WeakPolarHBondContact O-CA 3.46Å; L736-C754 VanDerWaalsContact O-CB 3.28Å; L736-C754 WeakPolarHBondContact O-CB 3.4Å; L736-S755 PolarHBondContact N-O 3Å; L736-S755 PolarHBondContact O-N 3.46Å; L736-L784 VanDerWaalsContact CD1-O 3.29Å; L736-L784 WeakPolarHBondContact CD1-O 3.38Å; L736-C785 HydrophobicContact CD2-CB 4Å; L736-D790 CarbonylContact C-O 3.54Å; L736-D790 WeakPolarHBondContact CA-O 3.47Å; L736-L791 HydrophobicContact CD2-CD1 4.05Å
737	R	96.9	Very high	94.4	Very high	43 Å²	43	44.4 Å²	44.4	16%	0.162	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	136	175.2	-172.4	-179.3	61.5	82.1	16.3	109.4	P739 A741 D790 R792	R737-P739 PolarHBondContact NH1-O 3.08Å; R737-A741 WeakPolarHBondContact CD-O 3.31Å; R737-A741 HydrophobicContact CG-CB 4.34Å; R737-A741 PolarHBondContact NH1-O 3.39Å; R737-D790 HydrophobicContact CB-CB 4.25Å; R737-D790 IonicContact CZ-OD1 3.81Å; R737-D790 IonicContact CZ-OD2 3.86Å; R737-D790 PolarHBondContact N-O 3.22Å; R737-D790 IonicContact NE-OD1 2.64Å; R737-D790 PolarHBondContact NE-OD1 3.48Å; R737-D790 VanDerWaalsContact NH2-CG 3.3Å; R737-D790 IonicContact NH2-OD1 2.67Å; R737-D790 PolarHBondContact NH2-OD1 3.04Å; R737-D790 IonicContact NH2-OD2 3.18Å; R737-D790 PolarHBondContact NH2-OD2 2.95Å; R737-R792 HydrophobicContact CB-CG 4.11Å
738	L	95.1	Very high	94.2	Very high	28 Å²	28	52 Å²	52	15%	0.147	27%	0.271	C	S	.	.			trans	-73	140.4	173.6	-69.3	168.5	0	0	0	109.5	Y91 L736 N740 A741 L753	Y91-L738 HydrophobicContact CD1-CB 3.81Å; Y91-L738 HydrophobicContact CD1-CD1 4.13Å; Y91-L738 HydrophobicContact CE1-CB 4.42Å; Y91-L738 HydrophobicContact CG-CD1 4.4Å; L736-L738 PolarHBondContact O-N 2.8Å; L738-N740 PolarHBondContact O-N 2.79Å; L738-A741 HydrophobicContact CB-CB 4.11Å; L738-A741 WeakPolarHBondContact O-CB 3.44Å; L738-A741 PolarHBondContact O-N 2.99Å; L738-L753 HydrophobicContact CD1-CB 4.39Å; L738-L753 PolarHBondContact N-O 3.32Å
739	P	91.2	Very high	94	Very high	88 Å²	88	51.1 Å²	51.1	57%	0.571	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-50.6	-162.6	-32.4	35.9	0	0	0	115.5	R737 A741	R737-P739 PolarHBondContact NH1-O 3.08Å; P739-A741 VanDerWaalsContact C-N 3.29Å; P739-A741 PolarHBondContact O-N 2.97Å
740	N	91.3	Very high	93.8	Very high	68 Å²	68	51.1 Å²	51.1	36%	0.364	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-10	-178.7	-45.1	15.8	0	0	0	112.8	Y91 N95 H129 L738	Y91-N740 HydrophobicContact CE1-CB 3.73Å; Y91-N740 WeakPolarHBondContact OH-CB 3.16Å; Y91-N740 PolarHBondContact OH-O 2.78Å; N95-N740 PolarHBondContact ND2-OD1 2.92Å; H129-N740 PolarHBondContact CE1-ND2 3.49Å; H129-N740 PolarHBondContact NE2-ND2 2.91Å; H129-N740 VanDerWaalsContact NE2-ND2 3.14Å; L738-N740 PolarHBondContact O-N 2.79Å
741	A	92.3	Very high	93.7	Very high	3 Å²	3	54.8 Å²	54.8	3%	0.025	29%	0.287	C	S	.	.	S	Bend	trans	-74.1	146	-170.1	0	0	0	0	0	111.7	Y91 R737 L738 P739 V743 L753	Y91-A741 HydrophobicContact CD1-CB 4.01Å; Y91-A741 HydrophobicContact CE1-CB 3.67Å; Y91-A741 VanDerWaalsContact CE1-N 3.3Å; R737-A741 WeakPolarHBondContact CD-O 3.31Å; R737-A741 HydrophobicContact CG-CB 4.34Å; R737-A741 PolarHBondContact NH1-O 3.39Å; L738-A741 HydrophobicContact CB-CB 4.11Å; L738-A741 WeakPolarHBondContact O-CB 3.44Å; L738-A741 PolarHBondContact O-N 2.99Å; P739-A741 VanDerWaalsContact C-N 3.29Å; P739-A741 PolarHBondContact O-N 2.97Å; A741-V743 PolarHBondContact O-N 2.79Å; A741-L753 HydrophobicContact CB-CB 4.09Å
742	P	91.9	Very high	93.6	Very high	86 Å²	86	55.7 Å²	55.7	56%	0.558	30%	0.299	S	S	*	.			trans	-51.6	130.4	-176.8	-30.5	36.8	0	0	0	113.9	Q744	P742-Q744 VanDerWaalsContact C-N 3.34Å; P742-Q744 VanDerWaalsContact CB-O 3.25Å; P742-Q744 WeakPolarHBondContact CB-O 3.21Å
743	V	91.1	Very high	93.4	Very high	96 Å²	96	60.3 Å²	60.3	58%	0.582	32%	0.323	S	S	*	.	S	Bend	trans	-61.1	-45.6	176.9	178.6	0	0	0	0	110.3	A741	A741-V743 PolarHBondContact O-N 2.79Å
744	Q	90.1	Very high	93.3	Very high	118 Å²	118	58.1 Å²	58.1	55%	0.551	32%	0.316	S	S	*	.	S	Bend	trans	-87.4	132	169.9	-179.6	62.8	-38	0	0	110.6	P742	P742-Q744 VanDerWaalsContact C-N 3.34Å; P742-Q744 VanDerWaalsContact CB-O 3.25Å; P742-Q744 WeakPolarHBondContact CB-O 3.21Å
745	T	91.9	Very high	93.2	Very high	12 Å²	12	60.7 Å²	60.7	7%	0.074	33%	0.334	C	S	.	.			trans	-100.1	138.1	-169.4	55.8	0	0	0	0	111.7	R691 K747 G750	R691-T745 PolarHBondContact NH2-OG1 3.08Å; T745-K747 VanDerWaalsContact C-N 3.31Å; T745-K747 CarbonylContact C-O 3.49Å; T745-K747 CarbonylContact O-C 3.59Å; T745-K747 PolarHBondContact O-N 3.49Å; T745-K747 PolarHBondContact OG1-O 3.15Å; T745-G750 PolarHBondContact OG1-N 3.23Å; T745-G750 PolarHBondContact OG1-O 3.16Å
746	S	89.3	Confident	93.1	Very high	110 Å²	110	63 Å²	63	77%	0.769	35%	0.348	S	S	*	.	S	Bend	trans	-54.2	-42.3	-175.1	-40.2	0	0	0	0	113.4	M414 Y748	M414-S746 WeakPolarHBondContact CG-O 3.39Å; S746-Y748 PolarHBondContact O-N 3.4Å
747	K	91.3	Very high	92.9	Very high	66 Å²	66	63.5 Å²	63.5	29%	0.287	35%	0.352	S	S	.	.	S	Bend	trans	-77.7	115.7	160.5	-172.1	-175.2	-174.3	90.3	0	107.6	M414 T745 M749 G750	M414-K747 HydrophobicContact CB-CB 4.09Å; M414-K747 HydrophobicContact CB-CG 4.06Å; M414-K747 HydrophobicContact CE-CB 4.45Å; M414-K747 PolarHBondContact O-NZ 3.07Å; T745-K747 VanDerWaalsContact C-N 3.31Å; T745-K747 CarbonylContact C-O 3.49Å; T745-K747 CarbonylContact O-C 3.59Å; T745-K747 PolarHBondContact O-N 3.49Å; T745-K747 PolarHBondContact OG1-O 3.15Å; K747-M749 PolarHBondContact O-N 3.11Å; K747-G750 PolarHBondContact O-N 2.71Å
748	Y	89.2	Confident	92.8	Very high	158 Å²	158	66.2 Å²	66.2	62%	0.62	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	130.6	175.4	176.9	-96.8	0	0	0	111.1	Y688 S746 G750	Y688-Y748 VanDerWaalsContact CE2-O 3.24Å; Y688-Y748 WeakPolarHBondContact CE2-O 3.25Å; Y688-Y748 PolarHBondContact OH-O 2.97Å; S746-Y748 PolarHBondContact O-N 3.4Å; Y748-G750 PolarHBondContact O-N 3.13Å
749	M	92.1	Very high	92.9	Very high	48 Å²	48	68.2 Å²	68.2	24%	0.236	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	11.6	-177.1	-73.7	-62.7	-114	0	0	116.9	Y688 G689 R691 K747	Y688-M749 WeakPolarHBondContact CD2-O 3.31Å; Y688-M749 HydrophobicContact CE1-CB 4.05Å; Y688-M749 HydrophobicContact CE2-CB 4.14Å; G689-M749 PolarHBondContact N-O 3.27Å; G689-M749 WeakPolarHBondContact O-CE 3.4Å; R691-M749 HydrophobicContact CG-CE 4.15Å; R691-M749 HydrophobicContact CG-SD 3.79Å; K747-M749 PolarHBondContact O-N 3.11Å
750	G	93.3	Very high	93.2	Very high	7 Å²	7	67.4 Å²	67.4	7%	0.072	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-65.8	170.1	171.1	0	0	0	0	0	113.1	R691 T745 K747 Y748	R691-G750 PolarHBondContact NH1-O 2.93Å; R691-G750 PolarHBondContact NH2-O 3.31Å; T745-G750 PolarHBondContact OG1-N 3.23Å; T745-G750 PolarHBondContact OG1-O 3.16Å; K747-G750 PolarHBondContact O-N 2.71Å; Y748-G750 PolarHBondContact O-N 3.13Å
751	H	95.9	Very high	93.4	Very high	77 Å²	77	65.2 Å²	65.2	36%	0.356	36%	0.36	S	S	.	.			trans	-73.9	-32.6	173.2	60.3	72.3	0	0	0	112.6	N687 C754 R792	N687-H751 PolarHBondContact O-CD2 2.76Å; H751-C754 PolarHBondContact O-SG 2.86Å; H751-R792 HydrophobicContact CB-CB 3.91Å; H751-R792 WeakPolarHBondContact CB-O 3.43Å; H751-R792 WeakPolarHBondContact O-CB 3.31Å; H751-R792 WeakPolarHBondContact O-CD 3.42Å; H751-R792 VanDerWaalsContact O-CG 3.29Å; H751-R792 WeakPolarHBondContact O-CG 3.43Å
752	G	94	Very high	93.5	Very high	31 Å²	31	69.9 Å²	69.9	32%	0.32	38%	0.381	S	S	.	.			trans	77.7	-150.9	-179.3	0	0	0	0	0	113.5	C754	G752-C754 PolarHBondContact O-N 3.2Å
753	L	94.9	Very high	93.6	Very high	97 Å²	97	66 Å²	66	51%	0.508	36%	0.356	S	S	.	.	S	Bend	trans	-85.7	109.6	178.6	-62.1	176.5	0	0	0	109.9	Y91 L738 A741	Y91-L753 HydrophobicContact CD2-CD1 3.74Å; Y91-L753 HydrophobicContact CE2-CD1 4.4Å; Y91-L753 HydrophobicContact CG-CD1 3.98Å; L738-L753 HydrophobicContact CD1-CB 4.39Å; L738-L753 PolarHBondContact N-O 3.32Å; A741-L753 HydrophobicContact CB-CB 4.09Å
754	C	96.1	Very high	93.7	Very high	24 Å²	24	66.4 Å²	66.4	16%	0.162	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.1	-172.2	-54.8	0	0	0	0	113.2	Y735 L736 H751 G752	Y735-C754 HydrophobicContact CD1-CB 4.28Å; L736-C754 CarbonylContact O-C 3.57Å; L736-C754 WeakPolarHBondContact O-CA 3.46Å; L736-C754 VanDerWaalsContact O-CB 3.28Å; L736-C754 WeakPolarHBondContact O-CB 3.4Å; H751-C754 PolarHBondContact O-SG 2.86Å; G752-C754 PolarHBondContact O-N 3.2Å
755	S	94.7	Very high	93.7	Very high	53 Å²	53	67.6 Å²	67.6	37%	0.371	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	140.6	150.6	-169.6	0	0	0	0	108.1	Y735 L736	Y735-S755 WeakPolarHBondContact CA-O 3.5Å; L736-S755 PolarHBondContact N-O 3Å; L736-S755 PolarHBondContact O-N 3.46Å
756	I	95.2	Very high	93.8	Very high	80 Å²	80	70 Å²	70	41%	0.41	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	104.3	178.9	-56	177.5	0	0	0	108.3	K733 L734 Y735	K733-I756 HydrophobicContact CD-CG2 4.42Å; K733-I756 HydrophobicContact CG-CG2 4.15Å; L734-I756 WeakPolarHBondContact O-CA 3.32Å; Y735-I756 HydrophobicContact CD1-CD1 3.84Å; Y735-I756 HydrophobicContact CD1-CG1 3.78Å; Y735-I756 HydrophobicContact CE1-CD1 3.48Å; Y735-I756 VanDerWaalsContact CE1-CD1 3.48Å; Y735-I756 HydrophobicContact CE1-CG1 3.93Å; Y735-I756 HydrophobicContact CE2-CG2 4.34Å; Y735-I756 HydrophobicContact CG-CG1 4.21Å
757	T	93.9	Very high	94.1	Very high	41 Å²	41	66 Å²	66	25%	0.252	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	146.9	175.7	59.6	0	0	0	0	110.1	K733 L734	K733-T757 WeakPolarHBondContact CA-O 3.43Å; L734-T757 PolarHBondContact N-O 3.2Å; L734-T757 PolarHBondContact O-N 3.28Å
758	N	94.6	Very high	94.2	Very high	100 Å²	100	63.5 Å²	63.5	54%	0.535	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	128.6	174.9	-54.2	-101.5	0	0	0	107	I732 K733	I732-N758 CarbonylContact O-C 3.6Å; I732-N758 WeakPolarHBondContact O-CA 3.41Å; K733-N758 WeakPolarHBondContact CD-OD1 3.21Å; K733-N758 VanDerWaalsContact CG-OD1 3.29Å; K733-N758 WeakPolarHBondContact CG-OD1 3.14Å
759	H	96.1	Very high	94.4	Very high	70 Å²	70	58.8 Å²	58.8	32%	0.324	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	126	-179.7	-165.2	79.9	0	0	0	110.3	T731 I732 T780 R783 L784	T731-H759 WeakPolarHBondContact CA-O 3.49Å; I732-H759 PolarHBondContact N-O 3.34Å; I732-H759 PolarHBondContact O-N 2.99Å; H759-T780 HydrophobicContact CB-CG2 4.38Å; H759-R783 PolarHBondContact CD2-NH2 2.94Å; H759-R783 VanDerWaalsContact CD2-NH2 3.32Å; H759-R783 PolarHBondContact CE1-NH2 2.89Å; H759-R783 PolarHBondContact NE2-NH2 3.22Å; H759-L784 HydrophobicContact CB-CD1 3.81Å
760	T	96.9	Very high	94.6	Very high	71 Å²	71	57.2 Å²	57.2	44%	0.436	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	125.1	-175.8	-55.8	0	0	0	0	110.7	S729 L730 T731	S729-T760 WeakPolarHBondContact OG-CG2 3.28Å; L730-T760 WeakPolarHBondContact O-CA 3.02Å; T731-T760 WeakPolarHBondContact OG1-CG2 3.43Å; T731-T760 PolarHBondContact OG1-OG1 3.22Å
761	I	96.1	Very high	94.8	Very high	22 Å²	22	60.2 Å²	60.2	11%	0.113	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.6	-178.3	-49.2	167.1	0	0	0	107.9	S729 L730 I732 Y776 T780	S729-I761 CarbonylContact C-O 3.56Å; S729-I761 WeakPolarHBondContact CA-O 3.45Å; L730-I761 PolarHBondContact N-O 3.35Å; L730-I761 PolarHBondContact O-N 2.99Å; I732-I761 HydrophobicContact CD1-CD1 3.69Å; I761-Y776 WeakPolarHBondContact CD1-O 3.4Å; I761-Y776 HydrophobicContact CG2-CD1 3.78Å; I761-Y776 HydrophobicContact CG2-CE1 4.26Å; I761-Y776 HydrophobicContact CG2-CG 4.43Å; I761-T780 HydrophobicContact CD1-CG2 4.18Å; I761-T780 WeakPolarHBondContact CD1-OG1 3.2Å
762	Q	95.8	Very high	94.7	Very high	101 Å²	101	58.4 Å²	58.4	47%	0.472	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.2	163.9	-58.3	-52.3	-82.9	0	0	108.6	S729	S729-Q762 PolarHBondContact OG-NE2 2.97Å
763	M	93.8	Very high	94.9	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.025	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	158.2	170.9	-57.3	-174.9	-67.6	0	0	109.2	G727 K728 L730 E765 T767 L773 Y776	G727-M763 WeakPolarHBondContact O-CE 3.37Å; K728-M763 WeakPolarHBondContact CE-O 3.45Å; K728-M763 WeakPolarHBondContact O-CB 3.29Å; K728-M763 PolarHBondContact O-N 3.38Å; L730-M763 HydrophobicContact CB-SD 4.33Å; M763-E765 VanDerWaalsContact C-N 3.34Å; M763-T767 HydrophobicContact CE-CG2 3.68Å; M763-T767 HydrophobicContact SD-CG2 3.83Å; M763-L773 HydrophobicContact CE-CD2 4.07Å; M763-L773 HydrophobicContact SD-CD2 3.91Å; M763-Y776 HydrophobicContact CB-CD2 4.46Å; M763-Y776 HydrophobicContact CB-CE2 3.9Å; M763-Y776 HydrophobicContact CG-CD2 3.7Å; M763-Y776 HydrophobicContact CG-CE2 3.65Å; M763-Y776 HydrophobicContact CG-CG 4.27Å; M763-Y776 HydrophobicContact SD-CD2 3.85Å; M763-Y776 HydrophobicContact SD-CE2 4.14Å
764	T	91.9	Very high	95	Very high	103 Å²	103	54.6 Å²	54.6	63%	0.632	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	-47.3	178.1	43.5	0	0	0	0	111.5	K728	K728-T764 VanDerWaalsContact CE-O 3.25Å; K728-T764 WeakPolarHBondContact CE-O 3.47Å; K728-T764 PolarHBondContact NZ-O 2.93Å
765	E	91.3	Very high	95	Very high	144 Å²	144	61.2 Å²	61.2	67%	0.673	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	168.2	-172.6	-64	177.5	178.1	0	0	111.4	M763	M763-E765 VanDerWaalsContact C-N 3.34Å
766	H	94.1	Very high	95.1	Very high	62 Å²	62	61.8 Å²	61.8	29%	0.287	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	126	168.4	-62.9	91.3	0	0	0	108.6	V726 G727 Q800 Q802	V726-H766 HydrophobicContact CB-CB 4.04Å; V726-H766 HydrophobicContact CG2-CB 3.72Å; G727-H766 WeakPolarHBondContact O-CA 3.42Å; H766-Q800 PolarHBondContact CD2-O 3.42Å; H766-Q802 PolarHBondContact CE1-OE1 3.33Å; H766-Q802 PolarHBondContact ND1-OE1 2.9Å
767	T	94.2	Very high	95.1	Very high	26 Å²	26	58 Å²	58	16%	0.16	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	161.1	-179.7	-172.2	0	0	0	0	112.1	M713 G727 M763 D769 V772	M713-T767 VanDerWaalsContact CE-O 3.27Å; M713-T767 WeakPolarHBondContact CE-O 3.42Å; G727-T767 PolarHBondContact N-O 2.83Å; G727-T767 PolarHBondContact O-N 3.21Å; M763-T767 HydrophobicContact CE-CG2 3.68Å; M763-T767 HydrophobicContact SD-CG2 3.83Å; T767-D769 PolarHBondContact OG1-N 2.92Å; T767-V772 HydrophobicContact CG2-CB 4.33Å; T767-V772 HydrophobicContact CG2-CG1 3.89Å
768	A	93.6	Very high	95.2	Very high	13 Å²	13	57 Å²	57	11%	0.107	29%	0.288	C	S	.	.			trans	-128.1	8.3	164.6	0	0	0	0	0	111.4	S710 M713 V726 A770	S710-A768 WeakPolarHBondContact CB-O 3.42Å; S710-A768 PolarHBondContact OG-O 3.49Å; M713-A768 HydrophobicContact CB-CB 4.1Å; M713-A768 HydrophobicContact CE-CB 3.96Å; V726-A768 HydrophobicContact CG1-CB 4.08Å; A768-A770 PolarHBondContact O-N 3.34Å
769	D	94.6	Very high	95.1	Very high	59 Å²	59	60.1 Å²	60.1	32%	0.316	30%	0.297	S	S	.	.			trans	-71.8	126.2	-179.9	169.8	36.8	0	0	0	111.5	T767 T771 V772 L773	T767-D769 PolarHBondContact OG1-N 2.92Å; D769-T771 VanDerWaalsContact CG-N 3.34Å; D769-T771 PolarHBondContact O-N 3.02Å; D769-T771 PolarHBondContact OD1-N 2.67Å; D769-T771 VanDerWaalsContact OD2-CB 3.3Å; D769-T771 WeakPolarHBondContact OD2-CB 3.41Å; D769-T771 PolarHBondContact OD2-N 3.12Å; D769-V772 HydrophobicContact CB-CB 4.42Å; D769-V772 HydrophobicContact CB-CG2 4.49Å; D769-V772 PolarHBondContact O-N 2.96Å; D769-V772 WeakPolarHBondContact OD2-CG2 3.28Å; D769-V772 PolarHBondContact OD2-N 3.07Å; D769-L773 WeakPolarHBondContact O-CB 3.37Å; D769-L773 VanDerWaalsContact O-CG 3.24Å; D769-L773 WeakPolarHBondContact O-CG 3.42Å; D769-L773 PolarHBondContact O-N 3.22Å
770	A	96.1	Very high	95.1	Very high	15 Å²	15	57.4 Å²	57.4	12%	0.124	29%	0.285	C	S	.	.	H	α-helix	trans	-59.5	-34.4	176.2	0	0	0	0	0	112.2	E707 S710 A768 Y774	E707-A770 HydrophobicContact CG-CB 3.93Å; S710-A770 PolarHBondContact OG-N 3Å; A768-A770 PolarHBondContact O-N 3.34Å; A770-Y774 WeakPolarHBondContact O-CB 3.33Å; A770-Y774 PolarHBondContact O-N 3.15Å
771	T	96	Very high	95	Very high	70 Å²	70	54.1 Å²	54.1	43%	0.429	27%	0.265	S	S	.	.	H	α-helix	trans	-71.7	-44.4	-178	-51.7	0	0	0	0	111.6	D769 Y774 R775	D769-T771 VanDerWaalsContact CG-N 3.34Å; D769-T771 PolarHBondContact O-N 3.02Å; D769-T771 PolarHBondContact OD1-N 2.67Å; D769-T771 VanDerWaalsContact OD2-CB 3.3Å; D769-T771 WeakPolarHBondContact OD2-CB 3.41Å; D769-T771 PolarHBondContact OD2-N 3.12Å; T771-Y774 PolarHBondContact O-N 2.89Å; T771-R775 VanDerWaalsContact O-CG 3.31Å; T771-R775 WeakPolarHBondContact O-CG 3.47Å; T771-R775 PolarHBondContact O-N 2.81Å; T771-R775 VanDerWaalsContact O-N 3.13Å
772	V	95.7	Very high	94.8	Very high	39 Å²	39	56.9 Å²	56.9	24%	0.236	28%	0.275	C	S	.	.	H	α-helix	trans	-64.1	-44.9	172.4	174.2	0	0	0	0	111.3	T767 D769 Y774 R775 Y776	T767-V772 HydrophobicContact CG2-CB 4.33Å; T767-V772 HydrophobicContact CG2-CG1 3.89Å; D769-V772 HydrophobicContact CB-CB 4.42Å; D769-V772 HydrophobicContact CB-CG2 4.49Å; D769-V772 PolarHBondContact O-N 2.96Å; D769-V772 WeakPolarHBondContact OD2-CG2 3.28Å; D769-V772 PolarHBondContact OD2-N 3.07Å; V772-Y774 VanDerWaalsContact C-N 3.34Å; V772-Y774 PolarHBondContact O-N 2.94Å; V772-R775 PolarHBondContact O-N 3.28Å; V772-Y776 HydrophobicContact CG1-CD2 3.99Å; V772-Y776 HydrophobicContact CG1-CE2 3.81Å; V772-Y776 WeakPolarHBondContact O-CD2 3.49Å; V772-Y776 PolarHBondContact O-N 3.21Å
773	L	97	Very high	94.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58	-45.4	176.2	-72.1	169.1	0	0	0	111.5	C706 L709 M713 L730 M763 D769 R775 Y776 A777 V798	C706-L773 HydrophobicContact CB-CB 4.28Å; L709-L773 HydrophobicContact CD2-CD1 4.47Å; L709-L773 HydrophobicContact CG-CD1 4.5Å; M713-L773 HydrophobicContact SD-CD1 4.44Å; L730-L773 HydrophobicContact CD1-CD2 4.31Å; L730-L773 HydrophobicContact CD2-CD2 4.16Å; M763-L773 HydrophobicContact CE-CD2 4.07Å; M763-L773 HydrophobicContact SD-CD2 3.91Å; D769-L773 WeakPolarHBondContact O-CB 3.37Å; D769-L773 VanDerWaalsContact O-CG 3.24Å; D769-L773 WeakPolarHBondContact O-CG 3.42Å; D769-L773 PolarHBondContact O-N 3.22Å; L773-R775 PolarHBondContact O-N 2.87Å; L773-Y776 PolarHBondContact O-N 3.13Å; L773-A777 VanDerWaalsContact O-CB 3.27Å; L773-A777 WeakPolarHBondContact O-CB 2.78Å; L773-A777 PolarHBondContact O-N 2.99Å; L773-V798 HydrophobicContact CD2-CG2 3.81Å
774	Y	97.5	Very high	94.6	Very high	48 Å²	48	61.1 Å²	61.1	19%	0.188	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-47.7	177.5	174	-104.7	0	0	0	112.4	V702 Q703 A770 T771 V772 Y776 A777 V778	V702-Y774 HydrophobicContact CB-CE2 4.46Å; V702-Y774 HydrophobicContact CG1-CD2 4Å; V702-Y774 HydrophobicContact CG1-CE2 4.24Å; Q703-Y774 HydrophobicContact CB-CD2 3.85Å; Q703-Y774 HydrophobicContact CB-CE2 3.88Å; Q703-Y774 HydrophobicContact CG-CD2 4.42Å; A770-Y774 WeakPolarHBondContact O-CB 3.33Å; A770-Y774 PolarHBondContact O-N 3.15Å; T771-Y774 PolarHBondContact O-N 2.89Å; V772-Y774 VanDerWaalsContact C-N 3.34Å; V772-Y774 PolarHBondContact O-N 2.94Å; Y774-Y776 VanDerWaalsContact C-N 3.31Å; Y774-Y776 PolarHBondContact O-N 3.31Å; Y774-A777 PolarHBondContact O-N 3.49Å; Y774-V778 HydrophobicContact CD1-CG1 4.49Å; Y774-V778 HydrophobicContact CD2-CB 4.41Å; Y774-V778 HydrophobicContact CE1-CG1 4.1Å; Y774-V778 HydrophobicContact CE2-CB 3.92Å; Y774-V778 HydrophobicContact CE2-CG1 4.37Å; Y774-V778 HydrophobicContact CE2-CG2 4.23Å; Y774-V778 WeakPolarHBondContact O-CG1 3.08Å; Y774-V778 PolarHBondContact O-N 3.19Å
775	R	96	Very high	94.6	Very high	163 Å²	163	56.4 Å²	56.4	62%	0.615	26%	0.26	S	S	*	.	H	α-helix	trans	-57	-41.4	179.6	-70.9	168.6	-171.7	173.9	5.1	112.8	T771 V772 L773	T771-R775 VanDerWaalsContact O-CG 3.31Å; T771-R775 WeakPolarHBondContact O-CG 3.47Å; T771-R775 PolarHBondContact O-N 2.81Å; T771-R775 VanDerWaalsContact O-N 3.13Å; V772-R775 PolarHBondContact O-N 3.28Å; L773-R775 PolarHBondContact O-N 2.87Å
776	Y	96	Very high	94.4	Very high	66 Å²	66	52.9 Å²	52.9	26%	0.259	25%	0.25	S	C	.	.	H	α-helix	trans	-73.9	-37	174.9	-75.3	-69.8	0	0	0	112.5	I761 M763 V772 L773 Y774 T780	I761-Y776 WeakPolarHBondContact CD1-O 3.4Å; I761-Y776 HydrophobicContact CG2-CD1 3.78Å; I761-Y776 HydrophobicContact CG2-CE1 4.26Å; I761-Y776 HydrophobicContact CG2-CG 4.43Å; M763-Y776 HydrophobicContact CB-CD2 4.46Å; M763-Y776 HydrophobicContact CB-CE2 3.9Å; M763-Y776 HydrophobicContact CG-CD2 3.7Å; M763-Y776 HydrophobicContact CG-CE2 3.65Å; M763-Y776 HydrophobicContact CG-CG 4.27Å; M763-Y776 HydrophobicContact SD-CD2 3.85Å; M763-Y776 HydrophobicContact SD-CE2 4.14Å; V772-Y776 HydrophobicContact CG1-CD2 3.99Å; V772-Y776 HydrophobicContact CG1-CE2 3.81Å; V772-Y776 WeakPolarHBondContact O-CD2 3.49Å; V772-Y776 PolarHBondContact O-N 3.21Å; L773-Y776 PolarHBondContact O-N 3.13Å; Y774-Y776 VanDerWaalsContact C-N 3.31Å; Y774-Y776 PolarHBondContact O-N 3.31Å; Y776-T780 WeakPolarHBondContact O-CB 3.31Å; Y776-T780 PolarHBondContact O-OG1 3.38Å
777	A	96.9	Very high	94.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.1	-58.9	-179.1	0	0	0	0	0	112.5	V702 L730 I732 L773 Y774 K779 T780 V781 L796	V702-A777 HydrophobicContact CG1-CB 3.53Å; L730-A777 HydrophobicContact CD2-CB 4.41Å; I732-A777 HydrophobicContact CD1-CB 4.3Å; L773-A777 VanDerWaalsContact O-CB 3.27Å; L773-A777 WeakPolarHBondContact O-CB 2.78Å; L773-A777 PolarHBondContact O-N 2.99Å; Y774-A777 PolarHBondContact O-N 3.49Å; A777-K779 PolarHBondContact O-N 3.34Å; A777-T780 PolarHBondContact O-N 3.22Å; A777-V781 WeakPolarHBondContact O-CG2 3.21Å; A777-V781 PolarHBondContact O-N 3.05Å; A777-L796 HydrophobicContact CB-CD2 4.4Å
778	V	95.5	Very high	94.3	Very high	19 Å²	19	54.5 Å²	54.5	12%	0.115	26%	0.256	C	S	.	.	H	α-helix	trans	-58.7	-45.9	-172.7	71.1	0	0	0	0	112.1	E699 V702 Y774 T780 V781 Y782	E699-V778 HydrophobicContact CG-CG2 3.88Å; V702-V778 HydrophobicContact CG1-CB 4.41Å; Y774-V778 HydrophobicContact CD1-CG1 4.49Å; Y774-V778 HydrophobicContact CD2-CB 4.41Å; Y774-V778 HydrophobicContact CE1-CG1 4.1Å; Y774-V778 HydrophobicContact CE2-CB 3.92Å; Y774-V778 HydrophobicContact CE2-CG1 4.37Å; Y774-V778 HydrophobicContact CE2-CG2 4.23Å; Y774-V778 WeakPolarHBondContact O-CG1 3.08Å; Y774-V778 PolarHBondContact O-N 3.19Å; V778-T780 PolarHBondContact O-N 2.95Å; V778-T780 VanDerWaalsContact O-N 3.17Å; V778-V781 PolarHBondContact O-N 3.2Å; V778-Y782 HydrophobicContact CG2-CD2 3.98Å; V778-Y782 HydrophobicContact CG2-CE2 3.76Å; V778-Y782 WeakPolarHBondContact O-CB 3.05Å; V778-Y782 PolarHBondContact O-N 3.42Å
779	K	93	Very high	94.4	Very high	166 Å²	166	59.9 Å²	59.9	72%	0.722	28%	0.279	S	S	*	.	H	α-helix	trans	-58.3	-31.2	176.7	-177	171.4	-177.5	171	0	113	A777	A777-K779 PolarHBondContact O-N 3.34Å
780	T	94.4	Very high	94.4	Very high	14 Å²	14	59 Å²	59	9%	0.086	28%	0.275	C	S	.	.	H	α-helix	trans	-88.4	-38.4	-179.4	-57.6	0	0	0	0	111.8	I732 H759 I761 Y776 A777 V778 R783 L784	I732-T780 HydrophobicContact CD1-CG2 3.74Å; H759-T780 HydrophobicContact CB-CG2 4.38Å; I761-T780 HydrophobicContact CD1-CG2 4.18Å; I761-T780 WeakPolarHBondContact CD1-OG1 3.2Å; Y776-T780 WeakPolarHBondContact O-CB 3.31Å; Y776-T780 PolarHBondContact O-OG1 3.38Å; A777-T780 PolarHBondContact O-N 3.22Å; V778-T780 PolarHBondContact O-N 2.95Å; V778-T780 VanDerWaalsContact O-N 3.17Å; T780-R783 PolarHBondContact O-N 3.02Å; T780-L784 HydrophobicContact CG2-CD1 3.87Å; T780-L784 VanDerWaalsContact O-CG 3.31Å; T780-L784 WeakPolarHBondContact O-CG 3.37Å; T780-L784 PolarHBondContact O-N 3.36Å
781	V	95.4	Very high	94.5	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-47	174.6	171.3	0	0	0	0	110.3	L698 V702 I732 L734 A777 V778 R783 L784 C785 I794	L698-V781 HydrophobicContact CD1-CG1 3.78Å; L698-V781 HydrophobicContact CD2-CG1 4Å; L698-V781 HydrophobicContact CG-CG1 3.99Å; V702-V781 HydrophobicContact CG2-CB 4.3Å; V702-V781 HydrophobicContact CG2-CG1 4.12Å; V702-V781 HydrophobicContact CG2-CG2 3.97Å; I732-V781 HydrophobicContact CG2-CG2 3.95Å; L734-V781 HydrophobicContact CD2-CG2 4.36Å; A777-V781 WeakPolarHBondContact O-CG2 3.21Å; A777-V781 PolarHBondContact O-N 3.05Å; V778-V781 PolarHBondContact O-N 3.2Å; V781-R783 VanDerWaalsContact C-N 3.28Å; V781-R783 PolarHBondContact O-N 3.11Å; V781-L784 CarbonylContact O-C 3.56Å; V781-L784 PolarHBondContact O-N 2.73Å; V781-C785 HydrophobicContact CG1-CB 4.45Å; V781-C785 WeakPolarHBondContact O-CB 3.48Å; V781-C785 PolarHBondContact O-N 3.08Å; V781-I794 HydrophobicContact CG2-CD1 4.16Å
782	Y	93	Very high	94.5	Very high	80 Å²	80	55.2 Å²	55.2	31%	0.314	25%	0.249	S	C	.	.	H	α-helix	trans	-58.9	-34	176.4	-78.6	-30.6	0	0	0	114.5	R695 L698 E699 V778 L784	R695-Y782 HydrophobicContact CB-CE1 4.03Å; R695-Y782 HydrophobicContact CG-CE1 4.11Å; L698-Y782 HydrophobicContact CD2-CD1 4.27Å; L698-Y782 HydrophobicContact CD2-CE1 4.34Å; E699-Y782 HydrophobicContact CG-CE1 4.37Å; E699-Y782 HydrophobicContact CG-CE2 4.32Å; E699-Y782 WeakPolarHBondContact CG-OH 3.25Å; E699-Y782 WeakPolarHBondContact OE1-CE2 3.47Å; E699-Y782 VanDerWaalsContact OE1-CZ 3.3Å; E699-Y782 PolarHBondContact OE1-OH 2.82Å; V778-Y782 HydrophobicContact CG2-CD2 3.98Å; V778-Y782 HydrophobicContact CG2-CE2 3.76Å; V778-Y782 WeakPolarHBondContact O-CB 3.05Å; V778-Y782 PolarHBondContact O-N 3.42Å; Y782-L784 VanDerWaalsContact C-N 3.34Å
783	R	92.7	Very high	94.6	Very high	152 Å²	152	53.3 Å²	53.3	57%	0.574	24%	0.238	S	C	*	.	H	α-helix	trans	-74.6	-23.8	176	-169.9	-169.8	62.4	-167.2	-7.9	112.8	H759 T780 V781	H759-R783 PolarHBondContact CD2-NH2 2.94Å; H759-R783 VanDerWaalsContact CD2-NH2 3.32Å; H759-R783 PolarHBondContact CE1-NH2 2.89Å; H759-R783 PolarHBondContact NE2-NH2 3.22Å; T780-R783 PolarHBondContact O-N 3.02Å; V781-R783 VanDerWaalsContact C-N 3.28Å; V781-R783 PolarHBondContact O-N 3.11Å
784	L	92.5	Very high	94.6	Very high	44 Å²	44	53.3 Å²	53.3	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-105.1	-16.4	-174.9	-64.5	175.4	0	0	0	113.6	L734 L736 H759 T780 V781 Y782	L734-L784 HydrophobicContact CD1-CB 3.6Å; L734-L784 HydrophobicContact CD1-CD1 4.25Å; L736-L784 VanDerWaalsContact CD1-O 3.29Å; L736-L784 WeakPolarHBondContact CD1-O 3.38Å; H759-L784 HydrophobicContact CB-CD1 3.81Å; T780-L784 HydrophobicContact CG2-CD1 3.87Å; T780-L784 VanDerWaalsContact O-CG 3.31Å; T780-L784 WeakPolarHBondContact O-CG 3.37Å; T780-L784 PolarHBondContact O-N 3.36Å; V781-L784 CarbonylContact O-C 3.56Å; V781-L784 PolarHBondContact O-N 2.73Å; Y782-L784 VanDerWaalsContact C-N 3.34Å
785	C	92	Very high	94.6	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.02	23%	0.233	C	C	.	.			trans	-136.2	76.3	-177.5	-167.8	0	0	0	0	109	L734 L736 V781 E787	L734-C785 HydrophobicContact CD1-CB 4.25Å; L736-C785 HydrophobicContact CD2-CB 4Å; V781-C785 HydrophobicContact CG1-CB 4.45Å; V781-C785 WeakPolarHBondContact O-CB 3.48Å; V781-C785 PolarHBondContact O-N 3.08Å; C785-E787 VanDerWaalsContact C-N 3.28Å; C785-E787 PolarHBondContact O-N 3.44Å; C785-E787 PolarHBondContact SG-O 3.09Å; C785-E787 VanDerWaalsContact SG-O 3.39Å
786	P	87.3	Confident	94.7	Very high	70 Å²	70	43.7 Å²	43.7	46%	0.455	20%	0.204	S	C	.	.	S	Bend	trans	-63.5	-36.3	-178.2	25.6	-33.9	0	0	0	112.2	R695	R695-P786 PolarHBondContact NE-O 3.02Å; R695-P786 PolarHBondContact NH2-O 3.09Å
787	E	92.1	Very high	94.8	Very high	112 Å²	112	43.7 Å²	43.7	52%	0.523	21%	0.206	S	C	.	.			trans	-105.4	109.8	178.6	-52.1	-41.3	126.5	0	0	110.7	C785 E789 D790	C785-E787 VanDerWaalsContact C-N 3.28Å; C785-E787 PolarHBondContact O-N 3.44Å; C785-E787 PolarHBondContact SG-O 3.09Å; C785-E787 VanDerWaalsContact SG-O 3.39Å; E787-E789 PolarHBondContact O-N 3.16Å; E787-D790 PolarHBondContact O-N 2.6Å
788	P	94	Very high	94.8	Very high	10 Å²	10	43.7 Å²	43.7	7%	0.065	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.2	-30.8	178.1	-24.9	35.3	0	0	0	113.5	L692 S694 R695 L698 D790 L791	L692-P788 HydrophobicContact CB-CB 4.14Å; S694-P788 WeakPolarHBondContact O-CB 3.43Å; R695-P788 HydrophobicContact CG-CG 3.75Å; L698-P788 HydrophobicContact CB-CB 4.44Å; L698-P788 HydrophobicContact CD2-CB 4.34Å; L698-P788 HydrophobicContact CD2-CG 4.15Å; P788-D790 PolarHBondContact O-N 3.38Å; P788-D790 VanDerWaalsContact O-N 3.17Å; P788-L791 WeakPolarHBondContact O-CB 3.38Å; P788-L791 PolarHBondContact O-N 3.36Å
789	E	94.5	Very high	94.8	Very high	126 Å²	126	45.2 Å²	45.2	59%	0.589	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-62.5	-20.1	-179.3	-65.2	-167.6	-177.8	0	0	114.2	L692 E787 R792	L692-E789 VanDerWaalsContact O-CA 3.3Å; L692-E789 WeakPolarHBondContact O-CA 3.39Å; L692-E789 PolarHBondContact O-N 2.92Å; E787-E789 PolarHBondContact O-N 3.16Å; E789-R792 VanDerWaalsContact O-CZ 3.27Å; E789-R792 PolarHBondContact O-NH1 3.4Å; E789-R792 PolarHBondContact O-NH2 3.39Å
790	D	95.3	Very high	94.8	Very high	41 Å²	41	41.8 Å²	41.8	22%	0.219	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-96.3	-4.1	177	-88.1	-8.7	0	0	0	113.9	L736 R737 E787 P788 R792	L736-D790 CarbonylContact C-O 3.54Å; L736-D790 WeakPolarHBondContact CA-O 3.47Å; R737-D790 HydrophobicContact CB-CB 4.25Å; R737-D790 IonicContact CZ-OD1 3.81Å; R737-D790 IonicContact CZ-OD2 3.86Å; R737-D790 PolarHBondContact N-O 3.22Å; R737-D790 IonicContact NE-OD1 2.64Å; R737-D790 PolarHBondContact NE-OD1 3.48Å; R737-D790 VanDerWaalsContact NH2-CG 3.3Å; R737-D790 IonicContact NH2-OD1 2.67Å; R737-D790 PolarHBondContact NH2-OD1 3.04Å; R737-D790 IonicContact NH2-OD2 3.18Å; R737-D790 PolarHBondContact NH2-OD2 2.95Å; E787-D790 PolarHBondContact O-N 2.6Å; P788-D790 PolarHBondContact O-N 3.38Å; P788-D790 VanDerWaalsContact O-N 3.17Å; D790-R792 PolarHBondContact O-N 2.86Å
791	L	96.9	Very high	94.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	127.7	170.9	-168.5	66	0	0	0	110.4	I690 L692 L698 L701 L734 L736 P788 G793 I794	I690-L791 HydrophobicContact CG2-CB 4.31Å; I690-L791 HydrophobicContact CG2-CD2 4.12Å; I690-L791 HydrophobicContact CG2-CG 4.03Å; L692-L791 HydrophobicContact CD1-CD2 3.93Å; L698-L791 HydrophobicContact CD1-CD2 3.59Å; L701-L791 HydrophobicContact CD2-CD2 4.31Å; L734-L791 HydrophobicContact CB-CD1 4.32Å; L734-L791 HydrophobicContact CD2-CD1 3.93Å; L736-L791 HydrophobicContact CD2-CD1 4.05Å; P788-L791 WeakPolarHBondContact O-CB 3.38Å; P788-L791 PolarHBondContact O-N 3.36Å; L791-G793 WeakPolarHBondContact CD1-O 3.15Å; L791-I794 HydrophobicContact CD2-CB 4.41Å; L791-I794 HydrophobicContact CD2-CG2 4.39Å
792	R	97.2	Very high	94.4	Very high	5 Å²	5	46.8 Å²	46.8	2%	0.019	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	-8.9	-179.2	-69.7	-68.4	171.4	-75.6	-4.1	113.1	Y735 R737 H751 E789 D790	Y735-R792 WeakPolarHBondContact O-CA 3.19Å; Y735-R792 PolarHBondContact O-N 3.4Å; R737-R792 HydrophobicContact CB-CG 4.11Å; H751-R792 HydrophobicContact CB-CB 3.91Å; H751-R792 WeakPolarHBondContact CB-O 3.43Å; H751-R792 WeakPolarHBondContact O-CB 3.31Å; H751-R792 WeakPolarHBondContact O-CD 3.42Å; H751-R792 VanDerWaalsContact O-CG 3.29Å; H751-R792 WeakPolarHBondContact O-CG 3.43Å; E789-R792 VanDerWaalsContact O-CZ 3.27Å; E789-R792 PolarHBondContact O-NH1 3.4Å; E789-R792 PolarHBondContact O-NH2 3.39Å; D790-R792 PolarHBondContact O-N 2.86Å
793	G	97.3	Very high	93.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	144.5	179.4	0	0	0	0	0	111.7	M686 N687 Y735 L791	M686-G793 CarbonylContact O-C 3.59Å; M686-G793 WeakPolarHBondContact O-CA 3.49Å; N687-G793 WeakPolarHBondContact OD1-CA 3.35Å; Y735-G793 PolarHBondContact N-O 2.77Å; Y735-G793 PolarHBondContact O-N 2.96Å; L791-G793 WeakPolarHBondContact CD1-O 3.15Å
794	I	97.9	Very high	92.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.7	177.9	176.9	164.5	0	0	0	110.2	S685 M686 N687 I690 L701 V702 L705 K733 L734 V781 L791	S685-I794 CarbonylContact C-O 3.59Å; S685-I794 VanDerWaalsContact CA-O 3.26Å; S685-I794 WeakPolarHBondContact CA-O 3.26Å; S685-I794 WeakPolarHBondContact CB-O 3.33Å; M686-I794 PolarHBondContact N-O 2.86Å; M686-I794 PolarHBondContact O-N 2.82Å; M686-I794 VanDerWaalsContact O-O 3.13Å; N687-I794 PolarHBondContact OD1-N 2.7Å; I690-I794 HydrophobicContact CD1-CG2 3.89Å; L701-I794 HydrophobicContact CD2-CG2 3.88Å; L701-I794 HydrophobicContact CG-CG2 4.32Å; V702-I794 HydrophobicContact CG2-CD1 3.84Å; L705-I794 HydrophobicContact CD1-CB 4.37Å; L705-I794 HydrophobicContact CD1-CD1 4.32Å; L705-I794 HydrophobicContact CD1-CG1 4.13Å; L705-I794 HydrophobicContact CD1-CG2 3.43Å; L705-I794 VanDerWaalsContact CD1-CG2 3.43Å; K733-I794 CarbonylContact O-C 3.5Å; K733-I794 WeakPolarHBondContact O-CA 3.09Å; L734-I794 HydrophobicContact CD2-CB 3.99Å; L734-I794 HydrophobicContact CD2-CD1 3.77Å; L734-I794 HydrophobicContact CD2-CG1 3.73Å; V781-I794 HydrophobicContact CG2-CD1 4.16Å; L791-I794 HydrophobicContact CD2-CB 4.41Å; L791-I794 HydrophobicContact CD2-CG2 4.39Å
795	G	97.6	Very high	90.7	Very high	8 Å²	8	42.2 Å²	42.2	8%	0.082	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137	171.5	0	0	0	0	0	111.8	A684 S685 K733	A684-G795 WeakPolarHBondContact O-CA 3.33Å; S685-G795 VanDerWaalsContact CB-CA 3.47Å; K733-G795 PolarHBondContact N-O 3.43Å; K733-G795 PolarHBondContact O-N 3.09Å
796	L	98.1	Very high	88.1	Confident	1 Å²	1	47 Å²	47	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.2	173.5	-55.4	-179.4	0	0	0	108	S683 A684 L705 C706 L709 L730 I732 A777	S683-L796 CarbonylContact C-O 3.55Å; S683-L796 WeakPolarHBondContact CA-O 3.41Å; S683-L796 WeakPolarHBondContact CB-O 3.28Å; A684-L796 PolarHBondContact N-O 2.79Å; A684-L796 PolarHBondContact O-N 3.02Å; L705-L796 HydrophobicContact CB-CD1 3.76Å; L705-L796 HydrophobicContact CB-CG 4.39Å; C706-L796 WeakPolarHBondContact SG-CD1 3.37Å; L709-L796 HydrophobicContact CD2-CB 3.62Å; L730-L796 HydrophobicContact CD1-CB 4.43Å; I732-L796 HydrophobicContact CB-CD2 4.38Å; I732-L796 HydrophobicContact CG1-CD2 3.9Å; I732-L796 HydrophobicContact CG2-CD2 4.09Å; A777-L796 HydrophobicContact CB-CD2 4.4Å
797	Q	97.7	Very high	85.5	Confident	65 Å²	65	54.8 Å²	54.8	30%	0.304	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	124	-177.6	-179.2	174.4	10.4	0	0	110.6	S681 V682 T731 H799	S681-Q797 PolarHBondContact OG-NE2 3.21Å; V682-Q797 CarbonylContact O-C 3.46Å; V682-Q797 VanDerWaalsContact O-CA 3.25Å; V682-Q797 WeakPolarHBondContact O-CA 3.41Å; T731-Q797 PolarHBondContact N-O 3.07Å; T731-Q797 PolarHBondContact O-N 3.38Å; Q797-H799 PolarHBondContact NE2-CE1 3.09Å; Q797-H799 VanDerWaalsContact NE2-CE1 3.33Å
798	V	97.3	Very high	82.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.3	175.1	174.5	0	0	0	0	109.8	S681 V682 L709 M713 S729 L730 L773 L801	S681-V798 CarbonylContact C-O 3.52Å; S681-V798 WeakPolarHBondContact CA-O 3.31Å; S681-V798 WeakPolarHBondContact CB-O 3.31Å; V682-V798 PolarHBondContact N-O 3.26Å; V682-V798 PolarHBondContact O-N 3.29Å; L709-V798 HydrophobicContact CD2-CG2 4.09Å; M713-V798 HydrophobicContact CE-CB 4.19Å; M713-V798 HydrophobicContact CE-CG1 3.79Å; M713-V798 HydrophobicContact CE-CG2 4.48Å; M713-V798 HydrophobicContact SD-CB 3.9Å; M713-V798 HydrophobicContact SD-CG1 4.18Å; M713-V798 HydrophobicContact SD-CG2 3.88Å; S729-V798 CarbonylContact O-C 3.19Å; S729-V798 WeakPolarHBondContact O-CA 3.29Å; L730-V798 HydrophobicContact CD1-CG2 3.89Å; L773-V798 HydrophobicContact CD2-CG2 3.81Å; V798-L801 HydrophobicContact CG1-CD2 4Å
799	H	94.5	Very high	79.6	Confident	51 Å²	51	63.1 Å²	63.1	24%	0.236	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	176.6	176.8	-47.5	-102.7	0	0	0	110.4	K728 S729 T731 Q797	K728-H799 PolarHBondContact N-O 3.07Å; S729-H799 PolarHBondContact N-O 3.35Å; S729-H799 VanDerWaalsContact N-O 3.16Å; S729-H799 PolarHBondContact O-N 2.94Å; T731-H799 WeakPolarHBondContact CB-NE2 3.37Å; T731-H799 PolarHBondContact OG1-CD2 3.39Å; T731-H799 PolarHBondContact OG1-NE2 2.94Å; Q797-H799 PolarHBondContact NE2-CE1 3.09Å; Q797-H799 VanDerWaalsContact NE2-CE1 3.33Å
800	Q	93.5	Very high	76.3	Confident	94 Å²	94	60.6 Å²	60.6	44%	0.439	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.2	61.1	-172	-56.4	173.4	26.4	0	0	109.7	G727 K728 H766	G727-Q800 VanDerWaalsContact CA-O 3.3Å; G727-Q800 WeakPolarHBondContact CA-O 3.18Å; K728-Q800 HydrophobicContact CB-CB 4.34Å; K728-Q800 PolarHBondContact N-O 2.82Å; H766-Q800 PolarHBondContact CD2-O 3.42Å
801	L	92.6	Very high	73.2	Confident	27 Å²	27	67.8 Å²	67.8	14%	0.141	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	145.1	-178.1	-56.3	-174.6	0	0	0	111.2	V682 M718 V726 V798	V682-L801 HydrophobicContact CG2-CD1 3.74Å; V682-L801 HydrophobicContact CG2-CD2 4.19Å; M718-L801 HydrophobicContact CE-CB 4.14Å; V726-L801 CarbonylContact O-C 3.55Å; V726-L801 VanDerWaalsContact O-CA 3.29Å; V726-L801 WeakPolarHBondContact O-CA 3.35Å; V798-L801 HydrophobicContact CG1-CD2 4Å
802	Q	88.4	Confident	69.8	Low	93 Å²	93	76.8 Å²	76.8	44%	0.435	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.6	169.9	-63.5	-169	-27.3	0	0	109.7	C725 V726 H766	C725-Q802 WeakPolarHBondContact CA-O 3.22Å; V726-Q802 HydrophobicContact CG2-CB 4.19Å; V726-Q802 PolarHBondContact N-O 3.33Å; V726-Q802 PolarHBondContact O-N 2.9Å; H766-Q802 PolarHBondContact CE1-OE1 3.33Å; H766-Q802 PolarHBondContact ND1-OE1 2.9Å
803	Q	80.6	Confident	66.6	Low	103 Å²	103	84.5 Å²	84.5	48%	0.481	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135.7	173.1	-74.1	162.1	-10.5	0	0	110.5	M718 G805	M718-Q803 HydrophobicContact CB-CG 3.67Å; M718-Q803 PolarHBondContact O-NE2 3.22Å; Q803-G805 PolarHBondContact O-N 2.76Å
804	G	64.3	Low	63.3	Low	40 Å²	40	90.4 Å²	90.4	41%	0.412	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	25.3	-171	0	0	0	0	0	117.1	G724	G724-G804 WeakPolarHBondContact O-CA 3.47Å; G724-G804 PolarHBondContact O-N 3.38Å
805	G	55.1	Low	59.8	Low	37 Å²	37	97.6 Å²	97.6	38%	0.381	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-11	-176.4	0	0	0	0	0	116.1	E723 Q803 R807	E723-G805 WeakPolarHBondContact OE2-CA 3.4Å; E723-G805 PolarHBondContact OE2-N 2.73Å; Q803-G805 PolarHBondContact O-N 2.76Å; G805-R807 PolarHBondContact O-N 3.07Å
806	S	37.4	Very low	56.6	Low	105 Å²	105	104.6 Å²	104.6	73%	0.734	56%	0.559	S	S	*	*			trans	-74.3	81.7	-178.3	-69.1	0	0	0	0	112.7	V808	S806-V808 PolarHBondContact O-N 3.42Å
807	R	33.9	Very low	53.2	Low	232 Å²	232	109.2 Å²	109.2	88%	0.875	59%	0.591	S	S	*	*			trans	-54.6	123.4	160.4	-85.7	-177.5	166.3	178.2	-3.5	109.3	G805 N809	G805-R807 PolarHBondContact O-N 3.07Å; R807-N809 PolarHBondContact O-N 3.38Å
808	V	32.6	Very low	49.8	Very low	143 Å²	143	111.2 Å²	111.2	87%	0.867	61%	0.612	S	S	*	*			trans	-68.1	113.5	167	177.5	0	0	0	0	107.8	S806 G810	S806-V808 PolarHBondContact O-N 3.42Å; V808-G810 PolarHBondContact O-N 2.97Å
809	N	29.2	Very low	46.6	Very low	154 Å²	154	117.8 Å²	117.8	82%	0.824	65%	0.647	S	S	*	*			trans	-68.1	115.8	178.1	-86.3	-21.3	0	0	0	111	R807	R807-N809 PolarHBondContact O-N 3.38Å
810	G	25.4	Very low	43.6	Very low	74 Å²	74	121.1 Å²	121.1	76%	0.763	67%	0.667	S	S	*	*			trans	66.3	75.8	147.3	0	0	0	0	0	118	V808	V808-G810 PolarHBondContact O-N 2.97Å
811	M	30.2	Very low	40.6	Very low	191 Å²	191	124.3 Å²	124.3	94%	0.941	68%	0.682	S	S	*	*			trans	-127.9	134.8	141.9	-96.8	-169.8	167.8	0	0	110.5	I813	M811-I813 PolarHBondContact O-N 2.85Å
812	K	25.6	Very low	37.6	Very low	189 Å²	189	128.8 Å²	128.8	82%	0.822	71%	0.71	S	S	*	*			trans	-71.1	114.4	179.1	-66.5	179.6	178.3	-177.9	0	109.8	M814	K812-M814 HydrophobicContact CB-CG 4.37Å
813	I	30.5	Very low	34.7	Very low	168 Å²	168	132.5 Å²	132.5	86%	0.862	73%	0.725	S	S	*	*			trans	-94.9	114.7	140.6	-66.5	171.2	0	0	0	104.6	M811	M811-I813 PolarHBondContact O-N 2.85Å
814	M	26.8	Very low	32.3	Very low	124 Å²	124	135.7 Å²	135.7	61%	0.611	74%	0.738	S	S	*	*			trans	-77.4	138.6	177.1	-58.5	-159.2	-50.1	0	0	109.2	K812 L816	K812-M814 HydrophobicContact CB-CG 4.37Å; M814-L816 PolarHBondContact O-N 3.08Å
815	N	25.1	Very low	30.6	Very low	151 Å²	151	140 Å²	140	81%	0.807	75%	0.751	S	S	*	*			trans	-61.7	116.7	149.8	-76.6	-13.2	0	0	0	107.1	C817	N815-C817 PolarHBondContact O-SG 3.24Å; N815-C817 VanDerWaalsContact O-SG 3.35Å
816	L	29.7	Very low	29.5	Very low	154 Å²	154	145.5 Å²	145.5	81%	0.806	77%	0.772	S	S	*	*			trans	-100.2	80.1	147.3	-77	157.7	0	0	0	103.9	M814	M814-L816 PolarHBondContact O-N 3.08Å
817	C	27.7	Very low	29.3	Very low	98 Å²	98	146.6 Å²	146.6	66%	0.662	77%	0.769	S	S	*	*				70.5	95.4	89.4	-72.4	0	0	0	0	111	N815	N815-C817 PolarHBondContact O-SG 3.24Å; N815-C817 VanDerWaalsContact O-SG 3.35Å
818	S	24.9	Very low	29.2	Very low	108 Å²	108	142 Å²	142	76%	0.755	76%	0.758	S	S	*	*			trans	-55.5	167.1	138.6	-48.6	0	0	0	0	110.1
819	N	31.1	Very low	29.2	Very low	137 Å²	137	139.4 Å²	139.4	73%	0.733	75%	0.746	S	S	*	*			trans	79.7	133.2	-170.1	-59.9	48.9	0	0	0	112.5
820	D	32	Very low	29.3	Very low	122 Å²	122	139.2 Å²	139.2	65%	0.652	74%	0.744	S	S	*	*			cis	-143.8	178.1	3.2	-126.7	-51	0	0	0	114.4
821	Q	29	Very low	29.5	Very low	161 Å²	161	145 Å²	145	75%	0.752	74%	0.743	S	S	*	*			trans	-58.9	144.3	-173.9	-57.8	156	31.9	0	0	113.4
822	T	30.2	Very low	29.5	Very low	120 Å²	120	142.7 Å²	142.7	74%	0.736	73%	0.734	S	S	*	*				176.4	132.1	101.3	40.1	0	0	0	0	114.3
823	F	27.7	Very low	29.7	Very low	172 Å²	172	139 Å²	139	75%	0.754	73%	0.729	S	S	*	*			trans	60	124.2	140	-82	-109.7	0	0	0	123.9
824	K	30.6	Very low	29.5	Very low	170 Å²	170	140 Å²	140	74%	0.739	73%	0.727	S	S	*	*			trans	69.3	151.4	144.2	-71.6	172.4	175.8	173.2	0	119.5
825	D	28.5	Very low	29.7	Very low	131 Å²	131	140.9 Å²	140.9	70%	0.701	74%	0.74	S	S	*	*			cis	178	170.4	-37	-103.3	-41.4	0	0	0	106.2
826	N	31.6	Very low	29.8	Very low	151 Å²	151	140 Å²	140	81%	0.807	74%	0.735	S	S	*	*			trans	75.9	144.6	-175.6	-49	-21.6	0	0	0	113.2
827	D	32.1	Very low	30	Very low	128 Å²	128	139.4 Å²	139.4	68%	0.684	73%	0.733	S	S	*	*			cis	165	157	-19.2	-122.7	-18.8	0	0	0	103.9
828	Q	32.5	Very low	30.1	Very low	136 Å²	136	141.8 Å²	141.8	64%	0.636	74%	0.738	S	S	*	*			cis	-160.1	164.4	-4.2	-158	166.4	91.9	0	0	109.5
829	S	32.5	Very low	30.4	Very low	89 Å²	89	143.1 Å²	143.1	62%	0.622	74%	0.741	S	S	*	*			trans	71.9	144.2	158.1	82.9	0	0	0	0	118.2
830	L	30.8	Very low	30.1	Very low	149 Å²	149	143.7 Å²	143.7	78%	0.78	75%	0.745	S	S	*	*			cis	-123.9	133.5	-4.1	-82	96.1	0	0	0	108.6
831	R	29.4	Very low	30.1	Very low	196 Å²	196	143.3 Å²	143.3	74%	0.74	75%	0.751	S	S	*	*				73.5	133.6	66.8	-72.1	-172	-175.4	-146.8	4.6	112.5
832	L	31.3	Very low	30.2	Very low	142 Å²	142	144 Å²	144	74%	0.743	75%	0.754	S	S	*	*			cis	-162.3	179.9	6	-100.9	161.3	0	0	0	108.2
833	P	29	Very low	29.9	Very low	113 Å²	113	144 Å²	144	73%	0.734	76%	0.758	S	S	*	*			cis	-123.5	171.9	-12.7	35.3	-18	0	0	0	114.9
834	K	26.4	Very low	29.9	Very low	188 Å²	188	144.6 Å²	144.6	82%	0.817	76%	0.763	S	S	*	*			trans	-116	157.2	161.8	-70	-178.9	177.7	179.6	0	109.6
835	T	31.6	Very low	29.6	Very low	143 Å²	143	148.2 Å²	148.2	88%	0.877	77%	0.772	S	S	*	*			trans	-117.9	146.1	154.7	45.9	0	0	0	0	109.3
836	N	27.8	Very low	29.5	Very low	133 Å²	133	149.5 Å²	149.5	71%	0.711	78%	0.777	S	S	*	*			trans	-110.9	153.5	-174.9	-67.8	-26.2	0	0	0	111.2
837	N	33	Very low	29.1	Very low	141 Å²	141	147.4 Å²	147.4	75%	0.754	78%	0.775	S	S	*	*			trans	-173.5	126.9	131.2	-85	-22.8	0	0	0	106
838	L	29.6	Very low	29	Very low	148 Å²	148	147 Å²	147	78%	0.775	78%	0.777	S	S	*	*				57.9	123.8	75.8	-67.8	161.9	0	0	0	110.5
839	V	31.4	Very low	28.8	Very low	135 Å²	135	145.6 Å²	145.6	82%	0.818	78%	0.778	S	S	*	*			cis	-138.9	161.4	38.7	171.5	0	0	0	0	113.2
840	N	26.4	Very low	28.5	Very low	150 Å²	150	148 Å²	148	80%	0.802	78%	0.783	S	S	*	*			trans	-80.5	150.8	175	-66	-39.3	0	0	0	113.9
841	S	31.9	Very low	28.6	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	79%	0.788	S	S	*	*			trans	-162.4	156.7	136.9	51.5	0	0	0	0	113.5
842	Q	30.6	Very low	28.6	Very low	175 Å²	175	147.9 Å²	147.9	82%	0.818	79%	0.792	S	S	*	*			trans	-57.2	147.6	-179.4	-64	111.3	-28.9	0	0	112.5
843	C	22.9	Very low	28.8	Very low	120 Å²	120	147.4 Å²	147.4	81%	0.811	79%	0.791	S	S	*	*			cis	71.3	94	42.4	-165.9	0	0	0	0	114.9
844	Q	28.6	Very low	28.9	Very low	186 Å²	186	148.3 Å²	148.3	87%	0.869	79%	0.785	S	S	*	*			trans	-154.3	153.5	152.8	-114.2	170.8	13.7	0	0	111.2
845	R	23.7	Very low	29.3	Very low	246 Å²	246	151.4 Å²	151.4	93%	0.928	79%	0.792	S	S	*	*			trans	-91.2	139.8	168.5	-63.6	174.8	-179.7	143.1	-2.4	108.2
846	I	27.4	Very low	29.3	Very low	157 Å²	157	152 Å²	152	81%	0.805	78%	0.784	S	S	*	*			trans	-130.6	128.3	161.5	-60.5	-177.9	0	0	0	109.3
847	S	22.8	Very low	29.6	Very low	108 Å²	108	154.1 Å²	154.1	76%	0.755	79%	0.79	S	S	*	*			trans	-125.8	130	163.2	52.8	0	0	0	0	106.5
848	V	30.2	Very low	29.5	Very low	120 Å²	120	155.2 Å²	155.2	73%	0.727	79%	0.79	S	S	*	*			trans	163.7	112.4	175.3	142.1	0	0	0	0	102.9
849	T	27.3	Very low	29.7	Very low	106 Å²	106	154.9 Å²	154.9	65%	0.65	79%	0.789	S	S	*	*				62	113.1	70.8	65.3	0	0	0	0	114.1
850	D	26.9	Very low	29.7	Very low	139 Å²	139	154.9 Å²	154.9	74%	0.743	78%	0.784	S	S	*	*			trans	40.6	115.3	147.1	-41.8	-28.6	0	0	0	119.5
851	N	32.3	Very low	30.1	Very low	164 Å²	164	154.1 Å²	154.1	88%	0.877	78%	0.779	S	S	*	*				-172.2	165.6	108.5	-93.7	-39	0	0	0	112.7
852	E	30	Very low	30.2	Very low	178 Å²	178	154.4 Å²	154.4	83%	0.832	78%	0.776	S	S	*	*			trans	-78.7	158	176	-53.1	178.8	120.2	0	0	111.3
853	D	34.1	Very low	30.5	Very low	133 Å²	133	153 Å²	153	71%	0.711	77%	0.774	S	S	*	*				-174.7	142.6	113.3	-114	-32.6	0	0	0	116.7
854	Q	32.4	Very low	31.1	Very low	132 Å²	132	152 Å²	152	62%	0.617	76%	0.764	S	S	*	*			trans	39.6	126.1	146.4	-69.8	159.2	53	0	0	123.1
855	R	33.6	Very low	31.5	Very low	252 Å²	252	149.1 Å²	149.1	95%	0.951	75%	0.754	S	S	*	*				-155.9	147	104	-101.2	160.1	-153.4	-117.6	-0.6	111.7
856	H	31.4	Very low	32.1	Very low	156 Å²	156	144.3 Å²	144.3	72%	0.722	74%	0.74	S	S	*	*			trans	-111.8	158	-165.6	-73.7	-107.8	0	0	0	114.4
857	Q	34.2	Very low	32.5	Very low	178 Å²	178	142.1 Å²	142.1	83%	0.832	73%	0.73	S	S	*	*			trans	-165.5	104	140.5	-101.9	158.2	0.9	0	0	106.3
858	E	31.7	Very low	33.1	Very low	163 Å²	163	143.5 Å²	143.5	76%	0.762	73%	0.727	S	S	*	*				68.5	129.8	89.7	-68.6	-178.7	161.1	0	0	112.3
859	L	33.5	Very low	33.2	Very low	141 Å²	141	142.1 Å²	142.1	74%	0.738	72%	0.723	S	S	*	*			cis	-150.9	148.3	36.9	-69.5	160.7	0	0	0	113.8
860	N	32.4	Very low	33.6	Very low	135 Å²	135	143.5 Å²	143.5	72%	0.722	73%	0.727	S	S	*	*			trans	48	148.5	133.4	-62.5	-8.1	0	0	0	122.7
861	I	33.7	Very low	34	Very low	135 Å²	135	143.1 Å²	143.1	69%	0.692	73%	0.725	S	S	*	*			cis	-159.3	162.2	-1	-116.6	165.4	0	0	0	109.7
862	T	34.5	Very low	34	Very low	119 Å²	119	140.1 Å²	140.1	73%	0.73	72%	0.715	S	S	*	*			trans	-2.1	141.6	169.1	66.9	0	0	0	0	119.4
863	D	36	Very low	34	Very low	145 Å²	145	138.7 Å²	138.7	78%	0.775	71%	0.714	S	S	*	*			cis	-164.7	-171.4	27.7	-146.6	11.6	0	0	0	109.7
864	V	35.8	Very low	33.9	Very low	98 Å²	98	143.7 Å²	143.7	59%	0.594	72%	0.723	S	S	*	*			cis	-159.1	174.1	8.5	74.5	0	0	0	0	112.2
865	N	36.5	Very low	33.9	Very low	126 Å²	126	145.9 Å²	145.9	67%	0.674	74%	0.737	S	S	*	*			trans	-7.4	148.4	157.6	-65	-32.1	0	0	0	120.2
866	K	37.7	Very low	33.8	Very low	146 Å²	146	137.4 Å²	137.4	64%	0.635	73%	0.729	S	S	*	*			cis	-173.4	177.9	2.3	-111.5	170.8	159.8	-72.1	0	108.1
867	D	36.4	Very low	33.8	Very low	111 Å²	111	138.9 Å²	138.9	59%	0.594	74%	0.735	S	S	*	*			cis	-152.5	179.9	6.3	-134.3	-23.1	0	0	0	115.9
868	I	35	Very low	33.8	Very low	136 Å²	136	137.2 Å²	137.2	70%	0.697	73%	0.732	S	S	*	*			trans	-46.4	149.5	168.7	-65.4	157.3	0	0	0	115.8
869	S	32.5	Very low	33.7	Very low	92 Å²	92	137.2 Å²	137.2	64%	0.643	73%	0.731	S	S	*	*			cis	115.3	142.5	8.3	-157	0	0	0	0	115
870	N	34.7	Very low	33.7	Very low	134 Å²	134	136.4 Å²	136.4	72%	0.717	73%	0.728	S	S	*	*			trans	71.5	156.4	168.1	-69.1	45	0	0	0	117.8
871	D	34.9	Very low	33.7	Very low	131 Å²	131	138.8 Å²	138.8	70%	0.701	73%	0.727	S	S	*	*			cis	-150.4	-172.4	1.7	-134.3	-45.8	0	0	0	115.7
872	C	32.6	Very low	33.9	Very low	101 Å²	101	139.3 Å²	139.3	68%	0.682	73%	0.726	S	S	*	*			trans	-70.1	153.7	-162.6	-67.1	0	0	0	0	121
873	N	30.3	Very low	33.8	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	72%	0.722	S	S	*	*			trans	9.1	128.3	140.5	-60.3	-56	0	0	0	120.9
874	R	32.2	Very low	33.7	Very low	238 Å²	238	137.3 Å²	137.3	90%	0.898	72%	0.715	S	S	*	*				-178.1	130.9	117.6	-102.1	166.3	-179	-178.9	1.4	116.2
875	L	31.3	Very low	33.5	Very low	177 Å²	177	139.9 Å²	139.9	93%	0.927	73%	0.725	S	S	*	*			trans	19	135.4	142.3	-59.9	167.8	0	0	0	122.3
876	G	32.4	Very low	33.4	Very low	75 Å²	75	145.5 Å²	145.5	77%	0.773	74%	0.737	S	S	*	*			trans	135.6	93.5	162.2	0	0	0	0	0	112.6
877	H	32.3	Very low	33.2	Very low	186 Å²	186	142.4 Å²	142.4	86%	0.861	74%	0.738	S	S	*	*				71	140.2	70.3	-111.5	-73.6	0	0	0	116.4
878	L	33	Very low	33.2	Very low	144 Å²	144	143.8 Å²	143.8	75%	0.754	75%	0.745	S	S	*	*			trans	72.8	156.3	-178.2	-51.6	170.1	0	0	0	115.3
879	E	30.8	Very low	33.1	Very low	162 Å²	162	144.6 Å²	144.6	76%	0.757	75%	0.746	S	S	*	*				-178.5	162.4	-51.8	-109.9	-177	147	0	0	107.3
880	D	33.6	Very low	33.2	Very low	125 Å²	125	147.3 Å²	147.3	67%	0.668	75%	0.752	S	S	*	*			trans	61.2	163.2	168.9	-84.3	-11.7	0	0	0	118.6
881	R	31	Very low	33.1	Very low	185 Å²	185	147.2 Å²	147.2	70%	0.698	75%	0.747	S	S	*	*			cis	-170	160.2	-45	-121.2	-175.3	-172.8	128.6	-12.8	109.1
882	H	37.4	Very low	33.1	Very low	146 Å²	146	148.7 Å²	148.7	68%	0.676	75%	0.747	S	S	*	*			trans	64	162.5	158.8	-67.6	-46.2	0	0	0	117.6
883	N	34.2	Very low	33.2	Very low	119 Å²	119	150.1 Å²	150.1	64%	0.636	75%	0.748	S	S	*	*			cis	-157.8	141.7	-28	-115.4	10.8	0	0	0	111.8
884	T	32.7	Very low	33.2	Very low	103 Å²	103	148.5 Å²	148.5	63%	0.632	74%	0.743	S	S	*	*			trans	46.7	136.1	138.5	66	0	0	0	0	124.5
885	N	32.2	Very low	33.2	Very low	151 Å²	151	143.4 Å²	143.4	81%	0.807	74%	0.739	S	S	*	*			trans	81.4	108.3	137.5	-63.4	-9.8	0	0	0	122.9
886	R	34.2	Very low	33.1	Very low	245 Å²	245	140.1 Å²	140.1	93%	0.925	73%	0.73	S	S	*	*				-163.7	128.8	122.6	-101.1	179.2	162	141.3	-4.4	107.5
887	A	34.4	Very low	32.9	Very low	80 Å²	80	143 Å²	143	66%	0.661	74%	0.738	S	S	*	*				76.9	131.3	66.1	0	0	0	0	0	112.3
888	L	35.8	Very low	32.7	Very low	141 Å²	141	139.2 Å²	139.2	74%	0.738	73%	0.732	S	S	*	*			cis	-158.3	154.2	4.8	-100.8	151.9	0	0	0	110.7
889	E	32.1	Very low	32.7	Very low	152 Å²	152	137.8 Å²	137.8	71%	0.71	73%	0.734	S	S	*	*			trans	57.9	157.5	151	-67.8	168.7	136.6	0	0	119.4
890	I	35.4	Very low	32.6	Very low	150 Å²	150	136.9 Å²	136.9	77%	0.769	73%	0.734	S	S	*	*			cis	-133.6	125.5	23.7	-65.3	169.6	0	0	0	112.1
891	Q	33.2	Very low	32.6	Very low	131 Å²	131	140.8 Å²	140.8	61%	0.612	74%	0.741	S	S	*	*			trans	11.1	125	138	-68.5	176	3.4	0	0	118.3
892	K	34.3	Very low	32.6	Very low	162 Å²	162	139.6 Å²	139.6	70%	0.704	75%	0.745	S	S	*	*				-171.3	171.8	59.6	-88.5	113.8	-179.3	148.1	0	107.8
893	N	33.9	Very low	32.4	Very low	132 Å²	132	138 Å²	138	71%	0.706	75%	0.748	S	S	*	*			cis	-151	159.6	-1.9	-116.1	8	0	0	0	107.3
894	V	31	Very low	32.3	Very low	115 Å²	115	139.3 Å²	139.3	70%	0.697	75%	0.754	S	S	*	*				59.1	113.9	67.7	-166.4	0	0	0	0	112.5
895	T	32.2	Very low	32.3	Very low	131 Å²	131	140.3 Å²	140.3	80%	0.804	76%	0.76	S	S	*	*			cis	-142.6	162.4	27.5	-22.1	0	0	0	0	114.3
896	S	28.5	Very low	32.2	Very low	107 Å²	107	138.7 Å²	138.7	75%	0.748	76%	0.755	S	S	*	*			trans	-58.7	150.5	-179.9	54.4	0	0	0	0	118.9
897	C	29.4	Very low	32.1	Very low	137 Å²	137	132.5 Å²	132.5	93%	0.926	75%	0.747	S	S	*	*				-154.1	165.8	116.5	-145.6	0	0	0	0	111.2
898	S	28.1	Very low	31.9	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	76%	0.759	S	S	*	*			trans	-130	133	-169.4	-180	0	0	0	0	113.3
899	S	31.9	Very low	31.7	Very low	115 Å²	115	137.3 Å²	137.3	80%	0.804	76%	0.759	S	S	*	*			trans	-155.5	135.3	161.2	-169.5	0	0	0	0	111
900	N	29.8	Very low	31.6	Very low	142 Å²	142	138.5 Å²	138.5	76%	0.759	77%	0.765	S	S	*	*			trans	-79.1	136.7	-169.4	-54.9	-76.1	0	0	0	112.8
901	Y	32.7	Very low	31.2	Very low	208 Å²	208	142.4 Å²	142.4	82%	0.816	77%	0.77	S	S	*	*			trans	-123	104.2	158.9	-111.3	-105	0	0	0	109.8
902	M	32.3	Very low	31.1	Very low	159 Å²	159	144.2 Å²	144.2	78%	0.783	78%	0.783	S	S	*	*			trans	-107.1	138.5	163.9	-75.5	-163.8	76.9	0	0	109.4	I904	M902-I904 PolarHBondContact O-N 3.04Å; M902-I904 VanDerWaalsContact O-N 3.08Å
903	P	33.2	Very low	30.9	Very low	114 Å²	114	143.8 Å²	143.8	74%	0.74	79%	0.788	S	S	*	*			trans	-72.8	102.3	175.6	29.5	-33.4	0	0	0	110.4	T905	P903-T905 PolarHBondContact O-N 3.35Å
904	I	30.5	Very low	30.8	Very low	146 Å²	146	142.8 Å²	142.8	75%	0.749	79%	0.791	S	S	*	*			trans	-72.3	92.7	177.4	-59.7	-179.7	0	0	0	109.7	M902 T906	M902-I904 PolarHBondContact O-N 3.04Å; M902-I904 VanDerWaalsContact O-N 3.08Å; I904-T906 HydrophobicContact CG2-CG2 3.84Å
905	T	32.9	Very low	30.9	Very low	124 Å²	124	142.7 Å²	142.7	76%	0.761	79%	0.79	S	S	*	*			trans	-91.7	105.6	164.8	46.3	0	0	0	0	109.1	P903 P907	P903-T905 PolarHBondContact O-N 3.35Å; T905-P907 VanDerWaalsContact O-CD 3.26Å; T905-P907 WeakPolarHBondContact O-CD 3.33Å
906	T	30.7	Very low	31	Very low	116 Å²	116	144.1 Å²	144.1	71%	0.712	79%	0.793	S	S	*	*			trans	-96.1	110	179.3	33.7	0	0	0	0	112.2	I904	I904-T906 HydrophobicContact CG2-CG2 3.84Å
907	P	31.6	Very low	31.1	Very low	116 Å²	116	142.1 Å²	142.1	75%	0.753	79%	0.79	S	S	*	*			trans	-84.2	114.5	171.1	32.4	-32.4	0	0	0	110.9	T905 K909	T905-P907 VanDerWaalsContact O-CD 3.26Å; T905-P907 WeakPolarHBondContact O-CD 3.33Å; P907-K909 PolarHBondContact O-N 2.68Å
908	V	31.2	Very low	31.2	Very low	149 Å²	149	147.9 Å²	147.9	90%	0.903	79%	0.792	S	S	*	*			trans	-88.8	102.3	171	-178.9	0	0	0	0	109.7
909	K	29.9	Very low	31.2	Very low	172 Å²	172	152.8 Å²	152.8	75%	0.748	80%	0.8	S	S	*	*			trans	-128.4	130.9	178.5	-111.3	-175.8	177	-179.7	0	113.4	P907	P907-K909 PolarHBondContact O-N 2.68Å
910	Q	31.1	Very low	31.2	Very low	178 Å²	178	155.9 Å²	155.9	83%	0.832	81%	0.806	S	S	*	*			trans	69.6	164.9	149.4	-67.6	171.5	-74.6	0	0	119.4
911	R	26.8	Very low	31	Very low	232 Å²	232	157.8 Å²	157.8	88%	0.875	81%	0.811	S	S	*	*			trans	-102.6	160.7	-175.4	-57.9	166.8	172	139.2	-3.9	109.5
912	N	31.6	Very low	30.7	Very low	168 Å²	168	153.9 Å²	153.9	90%	0.898	81%	0.808	S	S	*	*			trans	-162.5	174.9	132.7	-99.3	-22.2	0	0	0	112.4
913	I	29.2	Very low	30.4	Very low	154 Å²	154	155 Å²	155	79%	0.79	81%	0.809	S	S	*	*			trans	-133.5	132	-162.3	-61.9	164.6	0	0	0	111
914	S	31.2	Very low	30.1	Very low	111 Å²	111	160.5 Å²	160.5	78%	0.776	82%	0.815	S	S	*	*			trans	-173.1	107.1	142.9	-144	0	0	0	0	110.1
915	V	34	Very low	30	Very low	112 Å²	112	159.6 Å²	159.6	68%	0.679	82%	0.816	S	S	*	*				63	100.9	95.8	-178.7	0	0	0	0	115.4
916	N	34.9	Very low	29.8	Very low	161 Å²	161	163.6 Å²	163.6	86%	0.861	82%	0.819	S	S	*	*				-166.5	134.6	109.5	-115	-36	0	0	0	116.9
917	G	30.9	Very low	29.9	Very low	66 Å²	66	166.3 Å²	166.3	68%	0.68	82%	0.821	S	S	*	*			trans	43.2	84.8	143.6	0	0	0	0	0	124.2
918	R	31.4	Very low	30	Very low	258 Å²	258	164.8 Å²	164.8	97%	0.974	83%	0.826	S	S	*	*				-163	133.4	126.9	-106.5	163.7	-163.8	-165.4	4.4	111.1
919	K	27.7	Very low	30	Very low	208 Å²	208	161.1 Å²	161.1	90%	0.904	82%	0.818	S	S	*	*			trans	-94	117	-174.9	-73.6	176.9	178.8	171.1	0	111.7
920	L	32.5	Very low	30.2	Very low	180 Å²	180	162.4 Å²	162.4	94%	0.942	82%	0.824	S	S	*	*			trans	-132.7	124.1	154.6	-79	173.8	0	0	0	109.1
921	Q	24.5	Very low	30.1	Very low	182 Å²	182	161.9 Å²	161.9	85%	0.85	83%	0.825	S	S	*	*			trans	-95.3	133.3	171.6	-72.3	-174.7	-12.1	0	0	109.7
922	T	26.4	Very low	30.3	Very low	125 Å²	125	155.7 Å²	155.7	77%	0.767	82%	0.818	S	S	*	*			trans	155.3	150.3	153.1	41.7	0	0	0	0	108
923	K	26.3	Very low	30.1	Very low	183 Å²	183	153.7 Å²	153.7	80%	0.796	81%	0.811	S	S	*	*			cis	-151.7	138.3	-11.8	-122	160.1	-174.9	168.1	0	107.4	V925	K923-V925 PolarHBondContact O-N 2.89Å
924	R	26.2	Very low	30.3	Very low	230 Å²	230	152 Å²	152	87%	0.868	81%	0.808	S	S	*	*			trans	-67.3	125.4	164.2	-85	-176.4	173.1	171.4	-2.2	108.8	Y926	R924-Y926 PolarHBondContact O-N 3.15Å; R924-Y926 VanDerWaalsContact O-N 3.08Å
925	V	28.9	Very low	30.3	Very low	127 Å²	127	156 Å²	156	77%	0.77	81%	0.812	S	S	*	*			trans	-78.4	93.9	178.6	-178.7	0	0	0	0	110.3	K923	K923-V925 PolarHBondContact O-N 2.89Å
926	Y	28	Very low	30.2	Very low	208 Å²	208	156.3 Å²	156.3	82%	0.816	82%	0.819	S	S	*	*			trans	-93.1	132.9	160.9	-94.2	-95.6	0	0	0	110.3	R924	R924-Y926 PolarHBondContact O-N 3.15Å; R924-Y926 VanDerWaalsContact O-N 3.08Å
927	K	34	Very low	30.1	Very low	173 Å²	173	152.9 Å²	152.9	75%	0.752	81%	0.813	S	S	*	*			trans	-138.2	124.2	162.4	-67.7	173	178.8	167.4	0	105.4
928	G	32.8	Very low	30.1	Very low	83 Å²	83	160.3 Å²	160.3	86%	0.856	82%	0.82	S	S	*	*			cis	136.5	141	5.8	0	0	0	0	0	108.8
929	G	32.3	Very low	30.1	Very low	72 Å²	72	155 Å²	155	74%	0.742	81%	0.811	S	S	*	*			cis	172.1	161.6	-6.3	0	0	0	0	0	111.3
930	K	34.4	Very low	30.2	Very low	200 Å²	200	152.6 Å²	152.6	87%	0.87	80%	0.803	S	S	*	*			trans	169.4	103.7	163.3	-98.6	170.7	-177.8	-171.2	0	106.9
931	L	27.8	Very low	30.3	Very low	166 Å²	166	153.7 Å²	153.7	87%	0.869	80%	0.8	S	S	*	*				57.6	137.2	93.9	-78.2	88.6	0	0	0	114.3
932	S	32.1	Very low	30.7	Very low	103 Å²	103	149.1 Å²	149.1	72%	0.72	79%	0.793	S	S	*	*			cis	-145.9	143.6	18	50.1	0	0	0	0	114.1
933	V	27.2	Very low	30.9	Very low	125 Å²	125	150.4 Å²	150.4	76%	0.758	80%	0.795	S	S	*	*				55.7	123.9	101.5	-154.8	0	0	0	0	114.4
934	V	32.1	Very low	31	Very low	119 Å²	119	146.6 Å²	146.6	72%	0.721	79%	0.79	S	S	*	*				-168.8	141.2	74.6	167.9	0	0	0	0	113.3
935	K	32.2	Very low	31.3	Very low	195 Å²	195	144.6 Å²	144.6	85%	0.848	79%	0.788	S	S	*	*			trans	33.6	128.2	154.4	-62.7	169.2	-175.5	177.7	0	121.8
936	S	30.9	Very low	31.3	Very low	119 Å²	119	144.7 Å²	144.7	83%	0.832	79%	0.789	S	S	*	*				96.1	145.8	73	-153	0	0	0	0	112.8
937	A	34	Very low	31.5	Very low	89 Å²	89	142.4 Å²	142.4	74%	0.736	79%	0.789	S	S	*	*			cis	-152.3	-168.9	21.7	0	0	0	0	0	115.9
938	R	30	Very low	31.4	Very low	222 Å²	222	138.6 Å²	138.6	84%	0.838	78%	0.784	S	S	*	*			trans	-46.7	170.1	178.3	-59	165.4	167.5	162.9	-7.2	116.5
939	L	31.6	Very low	31.4	Very low	147 Å²	147	142.7 Å²	142.7	77%	0.77	78%	0.778	S	S	*	*			cis	-133	180	14.4	-84	89.3	0	0	0	110.6
940	Q	30.6	Very low	31.6	Very low	157 Å²	157	145.6 Å²	145.6	73%	0.734	77%	0.773	S	S	*	*			cis	121.4	137.4	-7.1	-154.2	176.2	1.5	0	0	116
941	K	33.9	Very low	31.5	Very low	203 Å²	203	142.7 Å²	142.7	88%	0.883	77%	0.765	S	S	*	*			trans	81	162.6	-173.8	-58.2	-177.8	179.7	179.5	0	116.8
942	A	32.6	Very low	31.8	Very low	85 Å²	85	140.1 Å²	140.1	70%	0.702	76%	0.761	S	S	*	*				167.7	142.5	-69.2	0	0	0	0	0	112.8
943	N	31.7	Very low	31.7	Very low	152 Å²	152	141.9 Å²	141.9	81%	0.813	77%	0.767	S	S	*	*			trans	78.1	123.1	154.9	-68.9	-4.9	0	0	0	124.3
944	C	27.6	Very low	32.1	Very low	104 Å²	104	141.2 Å²	141.2	70%	0.703	77%	0.766	S	S	*	*				90	128.7	127.7	-84	0	0	0	0	124.5
945	K	32.8	Very low	32	Very low	188 Å²	188	141.7 Å²	141.7	82%	0.817	77%	0.769	S	S	*	*			trans	69.9	127.7	147.5	-61.7	171.8	-175.8	-178.6	0	117.1
946	T	29.1	Very low	32.1	Very low	128 Å²	128	137.8 Å²	137.8	79%	0.785	76%	0.763	S	S	*	*			cis	97.3	139.6	37.6	-62.6	0	0	0	0	112.4
947	I	32.6	Very low	32.2	Very low	161 Å²	161	140.1 Å²	140.1	83%	0.826	76%	0.764	S	S	*	*			trans	103.9	119.9	-168.5	-62	158	0	0	0	109.7
948	S	30.1	Very low	32.2	Very low	93 Å²	93	141.9 Å²	141.9	65%	0.65	76%	0.76	S	S	*	*			cis	115.8	133.9	4.8	-169.1	0	0	0	0	112.9
949	K	33.3	Very low	32.2	Very low	168 Å²	168	136.4 Å²	136.4	73%	0.73	76%	0.756	S	S	*	*			trans	70.8	156.5	169.7	-72.9	165.5	164	-155.3	0	116.8
950	H	36.7	Very low	32.4	Very low	134 Å²	134	137.8 Å²	137.8	62%	0.62	76%	0.762	S	S	*	*			cis	-148.7	153.8	1.5	-107.6	-51.1	0	0	0	111.7
951	I	32.4	Very low	32.4	Very low	139 Å²	139	139.4 Å²	139.4	71%	0.713	77%	0.767	S	S	*	*			trans	38.7	123	137.6	-55.3	163.5	0	0	0	118.5
952	S	33.8	Very low	32.4	Very low	112 Å²	112	135.2 Å²	135.2	78%	0.783	76%	0.761	S	S	*	*				-165.3	164.3	93.1	-66.8	0	0	0	0	113.3
953	T	29.5	Very low	32.3	Very low	139 Å²	139	140.2 Å²	140.2	85%	0.853	77%	0.77	S	S	*	*			trans	-120.8	-154.5	-170.3	59.8	0	0	0	0	112.8
954	P	35.9	Very low	32.2	Very low	111 Å²	111	140.3 Å²	140.3	72%	0.721	77%	0.769	S	S	*	*				-124.6	-168.9	-128.3	37.1	-14.2	0	0	0	114.8
955	T	30.9	Very low	32.3	Very low	130 Å²	130	140.8 Å²	140.8	80%	0.798	77%	0.77	S	S	*	*			trans	168.5	140.5	131.6	-69.7	0	0	0	0	111
956	P	34.4	Very low	32.3	Very low	112 Å²	112	140.3 Å²	140.3	73%	0.727	77%	0.771	S	S	*	*			trans	-111.5	168.1	-178.5	41	-33.9	0	0	0	114.9
957	M	32.8	Very low	32.2	Very low	169 Å²	169	143 Å²	143	83%	0.833	78%	0.779	S	S	*	*			trans	-153.1	144	157.2	-96.8	-155.5	170.8	0	0	115.6
958	N	34.6	Very low	32	Very low	125 Å²	125	138.9 Å²	138.9	67%	0.668	78%	0.777	S	S	*	*			trans	61.3	86.6	142.8	-57.3	-1.1	0	0	0	122.7
959	S	30.4	Very low	32.1	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	78%	0.776	S	S	*	*				31.4	116.4	117.1	62.3	0	0	0	0	121.7
960	I	35	Very low	32.1	Very low	175 Å²	175	135.7 Å²	135.7	90%	0.897	77%	0.766	S	S	*	*			trans	-129.8	155.2	143.6	-63	-177.9	0	0	0	107.8
961	K	30.5	Very low	31.9	Very low	192 Å²	192	134.2 Å²	134.2	84%	0.835	77%	0.767	S	S	*	*			trans	-148.6	164	-170.7	-141.8	-168.7	-177.8	179.9	0	109.3
962	P	33.8	Very low	32	Very low	115 Å²	115	136.4 Å²	136.4	75%	0.747	77%	0.774	S	S	*	*				-114.5	167.4	-80.9	39.2	-27.6	0	0	0	112.2
963	E	31.1	Very low	31.8	Very low	190 Å²	190	135.2 Å²	135.2	89%	0.888	77%	0.771	S	S	*	*			trans	-143.5	162.4	172.5	-138.8	168.8	-150.6	0	0	112
964	I	28.7	Very low	32	Very low	154 Å²	154	136.4 Å²	136.4	79%	0.79	77%	0.769	S	S	*	*			trans	-126.6	108.7	-172.8	-55.3	172.5	0	0	0	111.6
965	P	29.5	Very low	32.5	Very low	113 Å²	113	140.3 Å²	140.3	73%	0.734	78%	0.777	S	S	*	*			trans	-98	129.3	150.5	0.5	20.5	0	0	0	108.6
966	Q	32.7	Very low	33.4	Very low	179 Å²	179	138.6 Å²	138.6	84%	0.836	76%	0.763	S	S	*	*				69	140.1	59.7	-63.7	-161.1	0.2	0	0	114.6
967	L	26.6	Very low	34	Very low	183 Å²	183	137.1 Å²	137.1	96%	0.958	75%	0.754	S	S	*	*			trans	-64.1	141.2	-173.1	-83.3	59.4	0	0	0	112.3
968	G	30.1	Very low	35.1	Very low	76 Å²	76	131.1 Å²	131.1	78%	0.784	73%	0.729	S	S	*	*			trans	-172.6	111.8	170.5	0	0	0	0	0	113.4
969	C	30.9	Very low	36.5	Very low	92 Å²	92	127.1 Å²	127.1	62%	0.622	72%	0.716	S	S	*	*			trans	-3.6	143.1	167.4	-151.1	0	0	0	0	120.6	T971	C969-T971 PolarHBondContact O-N 2.99Å; C969-T971 PolarHBondContact SG-OG1 3.05Å
970	L	33.8	Very low	38.7	Very low	102 Å²	102	125.8 Å²	125.8	53%	0.534	70%	0.7	S	S	.	*	S	Bend	trans	-63.3	4.6	172	-86.5	163.3	0	0	0	115.7
971	T	32.2	Very low	41.2	Very low	102 Å²	102	117.9 Å²	117.9	63%	0.626	66%	0.66	S	S	*	*			trans	-106.1	51.4	-167.9	55.1	0	0	0	0	114	C969	C969-T971 PolarHBondContact O-N 2.99Å; C969-T971 PolarHBondContact SG-OG1 3.05Å
972	Q	34.1	Very low	43.5	Very low	186 Å²	186	111.5 Å²	111.5	87%	0.869	64%	0.637	S	S	*	*			trans	-150.5	140.4	170.6	-119.1	155.2	79.7	0	0	114.5
973	A	31.3	Very low	45.8	Very low	87 Å²	87	113.4 Å²	113.4	72%	0.719	64%	0.641	S	S	*	*			trans	74.6	103.7	167	0	0	0	0	0	120.8
974	M	33.5	Very low	48.5	Very low	163 Å²	163	107.7 Å²	107.7	80%	0.803	61%	0.613	S	S	*	*				89.8	100.3	127.1	-61.1	170.6	80.4	0	0	121.8	D976	M974-D976 PolarHBondContact O-N 3.1Å
975	E	45.5	Very low	51.4	Low	193 Å²	193	103.8 Å²	103.8	90%	0.902	60%	0.596	S	S	*	*	S	Bend	trans	70.9	-24.1	135.2	-58.7	-167.4	150	0	0	122.7
976	D	49.6	Very low	54.2	Low	94 Å²	94	102.2 Å²	102.2	50%	0.503	58%	0.582	S	S	.	*			trans	-148.6	103.1	165.3	-170.2	-15	0	0	0	113.1	M974 S978 G979	M974-D976 PolarHBondContact O-N 3.1Å; D976-S978 VanDerWaalsContact CG-OG 3.26Å; D976-S978 PolarHBondContact O-N 2.84Å; D976-S978 WeakPolarHBondContact OD1-CA 3.17Å; D976-S978 VanDerWaalsContact OD1-CB 3.24Å; D976-S978 WeakPolarHBondContact OD1-CB 3.39Å; D976-S978 PolarHBondContact OD1-N 3.07Å; D976-S978 PolarHBondContact OD1-OG 2.67Å; D976-S978 PolarHBondContact OD2-OG 2.93Å; D976-G979 PolarHBondContact O-N 3.04Å
977	P	48.3	Very low	56.9	Low	82 Å²	82	98.9 Å²	98.9	53%	0.532	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-65.5	-21.9	179.2	27.4	-34	0	0	0	113.3	G979 I1010	P977-G979 PolarHBondContact O-N 3.03Å; P977-I1010 HydrophobicContact CB-CG1 4.18Å; P977-I1010 HydrophobicContact CB-CG2 4.03Å; P977-I1010 WeakPolarHBondContact O-CG2 3.43Å
978	S	54.2	Low	59.9	Low	43 Å²	43	93.4 Å²	93.4	30%	0.301	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-72.5	-19.2	174.3	82.1	0	0	0	0	112.6	D976 L980 T982	D976-S978 VanDerWaalsContact CG-OG 3.26Å; D976-S978 PolarHBondContact O-N 2.84Å; D976-S978 WeakPolarHBondContact OD1-CA 3.17Å; D976-S978 VanDerWaalsContact OD1-CB 3.24Å; D976-S978 WeakPolarHBondContact OD1-CB 3.39Å; D976-S978 PolarHBondContact OD1-N 3.07Å; D976-S978 PolarHBondContact OD1-OG 2.67Å; D976-S978 PolarHBondContact OD2-OG 2.93Å; S978-L980 VanDerWaalsContact C-N 3.32Å; S978-L980 PolarHBondContact O-N 2.95Å; S978-T982 WeakPolarHBondContact O-CB 3.13Å; S978-T982 PolarHBondContact O-N 3.16Å; S978-T982 PolarHBondContact O-OG1 3.17Å
979	G	64.8	Low	62.9	Low	40 Å²	40	89.8 Å²	89.8	41%	0.412	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-62.6	-33.7	177.6	0	0	0	0	0	113.7	D976 P977 F981 T982	D976-G979 PolarHBondContact O-N 3.04Å; P977-G979 PolarHBondContact O-N 3.03Å; G979-F981 VanDerWaalsContact C-N 3.3Å; G979-F981 PolarHBondContact O-N 3.4Å; G979-T982 PolarHBondContact O-N 3.38Å
980	L	76.7	Confident	65.8	Low	80 Å²	80	90.6 Å²	90.6	42%	0.419	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-56	-40.2	-172.7	-174.1	64.8	0	0	0	113.7	S978 K984	S978-L980 VanDerWaalsContact C-N 3.32Å; S978-L980 PolarHBondContact O-N 2.95Å; L980-K984 WeakPolarHBondContact O-CG 3.47Å
981	F	86.3	Confident	68.5	Low	10 Å²	10	91.2 Å²	91.2	4%	0.044	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-9.4	-179.1	-51.8	-56.5	0	0	0	113.6	G979 L989 I992 F993 I1010 L1011 Y1014 R1025	G979-F981 VanDerWaalsContact C-N 3.3Å; G979-F981 PolarHBondContact O-N 3.4Å; F981-L989 HydrophobicContact CB-CD2 4.03Å; F981-L989 HydrophobicContact CD1-CD2 3.64Å; F981-L989 HydrophobicContact CG-CD2 4.26Å; F981-I992 HydrophobicContact CE1-CG2 4.11Å; F981-F993 HydrophobicContact CD1-CE1 4.14Å; F981-F993 HydrophobicContact CD1-CZ 4.28Å; F981-F993 HydrophobicContact CE1-CD1 4.45Å; F981-F993 AromaticContact CE1-CE1 3.57Å; F981-F993 HydrophobicContact CE1-CE1 3.57Å; F981-F993 HydrophobicContact CE1-CZ 4.17Å; F981-F993 HydrophobicContact CZ-CE1 4.02Å; F981-I1010 HydrophobicContact CE2-CG2 3.99Å; F981-L1011 HydrophobicContact CD2-CD1 3.96Å; F981-L1011 HydrophobicContact CE2-CB 3.86Å; F981-L1011 HydrophobicContact CE2-CD1 3.73Å; F981-L1011 HydrophobicContact CE2-CG 4.38Å; F981-L1011 HydrophobicContact CG-CD1 4.46Å; F981-L1011 HydrophobicContact CZ-CB 4.21Å; F981-L1011 HydrophobicContact CZ-CD1 4.04Å; F981-Y1014 HydrophobicContact CB-CD1 3.65Å; F981-Y1014 HydrophobicContact CB-CD2 3.83Å; F981-Y1014 HydrophobicContact CB-CE1 3.47Å; F981-Y1014 VanDerWaalsContact CB-CE1 3.47Å; F981-Y1014 HydrophobicContact CB-CE2 3.67Å; F981-Y1014 HydrophobicContact CB-CG 3.81Å; F981-Y1014 VanDerWaalsContact CB-CZ 3.46Å; F981-Y1014 AromaticContact CD2-CD1 3.7Å; F981-Y1014 HydrophobicContact CD2-CD1 3.7Å; F981-Y1014 HydrophobicContact CD2-CE1 4.32Å; F981-Y1014 AromaticContact CD2-CG 3.8Å; F981-Y1014 HydrophobicContact CD2-CG 3.8Å; F981-Y1014 HydrophobicContact CG-CD1 4Å; F981-Y1014 HydrophobicContact CG-CE1 4.16Å; F981-Y1014 HydrophobicContact CG-CG 4.28Å; F981-Y1014 PolarHBondContact O-OH 3.22Å; F981-R1025 PolarHBondContact O-NH2 2.96Å
982	T	80.1	Confident	71.4	Confident	58 Å²	58	88.7 Å²	88.7	36%	0.356	48%	0.483	S	S	.	.	S	Bend	trans	-72	143.2	179.7	-69.8	0	0	0	0	110.5	S978 G979 K984	S978-T982 WeakPolarHBondContact O-CB 3.13Å; S978-T982 PolarHBondContact O-N 3.16Å; S978-T982 PolarHBondContact O-OG1 3.17Å; G979-T982 PolarHBondContact O-N 3.38Å; T982-K984 PolarHBondContact O-N 2.74Å
983	N	81.7	Confident	74.2	Confident	155 Å²	155	79.9 Å²	79.9	83%	0.829	44%	0.441	S	S	*	.	S	Bend	trans	58.3	-11	-173.5	-60.4	-33	0	0	0	117.2
984	K	87.7	Confident	77.1	Confident	69 Å²	69	76.1 Å²	76.1	30%	0.3	41%	0.412	S	S	.	.			trans	-58.2	139.2	174.6	-65.3	-55	-164.9	-178.9	0	113	L980 T982 E988 L989 I992 R1025	L980-K984 WeakPolarHBondContact O-CG 3.47Å; T982-K984 PolarHBondContact O-N 2.74Å; K984-E988 HydrophobicContact CB-CB 4.34Å; K984-E988 HydrophobicContact CD-CB 4.1Å; K984-E988 HydrophobicContact CD-CG 4.47Å; K984-E988 WeakPolarHBondContact CD-OE1 3.38Å; K984-E988 IonicContact NZ-OE1 2.8Å; K984-E988 PolarHBondContact NZ-OE1 3.49Å; K984-L989 HydrophobicContact CB-CD1 4.47Å; K984-L989 HydrophobicContact CB-CD2 3.8Å; K984-L989 HydrophobicContact CB-CG 3.84Å; K984-L989 HydrophobicContact CG-CD2 4.3Å; K984-I992 HydrophobicContact CG-CD1 4.4Å; K984-R1025 PolarHBondContact O-NH1 2.96Å; K984-R1025 PolarHBondContact O-NH2 2.85Å
985	T	89.1	Confident	79.8	Confident	72 Å²	72	72.1 Å²	72.1	44%	0.442	39%	0.393	S	S	.	.			trans	-72.1	161	169.5	61.8	0	0	0	0	111.4	T987 E988 L989	T985-T987 PolarHBondContact O-N 3.28Å; T985-E988 WeakPolarHBondContact CB-OE2 3.44Å; T985-E988 WeakPolarHBondContact CG2-OE2 3.21Å; T985-E988 PolarHBondContact N-OE2 3.43Å; T985-E988 PolarHBondContact O-N 3.15Å; T985-E988 WeakPolarHBondContact OG1-CG 3.36Å; T985-E988 PolarHBondContact OG1-N 3.06Å; T985-E988 PolarHBondContact OG1-OE2 2.99Å; T985-L989 WeakPolarHBondContact O-CG 3.49Å; T985-L989 PolarHBondContact O-N 3.19Å
986	L	89.2	Confident	82	Confident	81 Å²	81	63.8 Å²	63.8	42%	0.424	35%	0.354	S	S	.	.	H	α-helix	trans	-61.6	-24.2	173.1	-83.7	162.1	0	0	0	113	Q990 L1032	L986-Q990 VanDerWaalsContact O-CB 3.28Å; L986-Q990 WeakPolarHBondContact O-CB 3.22Å; L986-Q990 PolarHBondContact O-N 3.39Å; L986-L1032 HydrophobicContact CD2-CD2 3.97Å
987	T	88.7	Confident	84	Confident	108 Å²	108	59.7 Å²	59.7	66%	0.663	33%	0.331	S	S	*	.	H	α-helix	trans	-76.2	-42.5	176.3	-50.4	0	0	0	0	111.7	T985 Q990 Q991	T985-T987 PolarHBondContact O-N 3.28Å; T987-Q990 WeakPolarHBondContact O-CB 3.23Å; T987-Q990 PolarHBondContact O-N 3.35Å; T987-Q991 PolarHBondContact O-N 3.39Å; T987-Q991 VanDerWaalsContact O-N 3.08Å
988	E	91	Very high	85.9	Confident	69 Å²	69	60.1 Å²	60.1	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-64.8	-42.8	172.5	-70.9	163.2	94.6	0	0	111.5	K984 T985 Q990 Q991 I992	K984-E988 HydrophobicContact CB-CB 4.34Å; K984-E988 HydrophobicContact CD-CB 4.1Å; K984-E988 HydrophobicContact CD-CG 4.47Å; K984-E988 WeakPolarHBondContact CD-OE1 3.38Å; K984-E988 IonicContact NZ-OE1 2.8Å; K984-E988 PolarHBondContact NZ-OE1 3.49Å; T985-E988 WeakPolarHBondContact CB-OE2 3.44Å; T985-E988 WeakPolarHBondContact CG2-OE2 3.21Å; T985-E988 PolarHBondContact N-OE2 3.43Å; T985-E988 PolarHBondContact O-N 3.15Å; T985-E988 WeakPolarHBondContact OG1-CG 3.36Å; T985-E988 PolarHBondContact OG1-N 3.06Å; T985-E988 PolarHBondContact OG1-OE2 2.99Å; E988-Q990 PolarHBondContact O-N 2.95Å; E988-Q991 WeakPolarHBondContact O-CB 3.44Å; E988-Q991 PolarHBondContact O-N 3.28Å; E988-Q991 VanDerWaalsContact O-N 3.1Å; E988-I992 WeakPolarHBondContact O-CG1 2.76Å; E988-I992 PolarHBondContact O-N 3.47Å
989	L	93.1	Very high	87.5	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-33.3	173.9	-67.1	176.6	0	0	0	111.7	F981 K984 T985 Q991 F993 V1029 L1032	F981-L989 HydrophobicContact CB-CD2 4.03Å; F981-L989 HydrophobicContact CD1-CD2 3.64Å; F981-L989 HydrophobicContact CG-CD2 4.26Å; K984-L989 HydrophobicContact CB-CD1 4.47Å; K984-L989 HydrophobicContact CB-CD2 3.8Å; K984-L989 HydrophobicContact CB-CG 3.84Å; K984-L989 HydrophobicContact CG-CD2 4.3Å; T985-L989 WeakPolarHBondContact O-CG 3.49Å; T985-L989 PolarHBondContact O-N 3.19Å; L989-Q991 VanDerWaalsContact C-N 3.31Å; L989-Q991 PolarHBondContact O-N 3.17Å; L989-F993 HydrophobicContact CB-CD2 4.24Å; L989-F993 HydrophobicContact CB-CE2 3.85Å; L989-F993 HydrophobicContact CB-CZ 4.49Å; L989-F993 HydrophobicContact CD2-CE2 4.37Å; L989-F993 HydrophobicContact CD2-CZ 4.18Å; L989-F993 WeakPolarHBondContact O-CB 3.45Å; L989-F993 WeakPolarHBondContact O-CD2 3.45Å; L989-F993 VanDerWaalsContact O-CG 3.25Å; L989-F993 WeakPolarHBondContact O-CG 3.27Å; L989-F993 PolarHBondContact O-N 3.32Å; L989-V1029 HydrophobicContact CD1-CG2 3.85Å; L989-L1032 HydrophobicContact CB-CD2 4Å
990	Q	91.7	Very high	88.4	Confident	109 Å²	109	63 Å²	63	51%	0.509	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-35.1	174.3	179.2	176	-32.4	0	0	111.9	L986 T987 E988 G994 L1032 L1036	L986-Q990 VanDerWaalsContact O-CB 3.28Å; L986-Q990 WeakPolarHBondContact O-CB 3.22Å; L986-Q990 PolarHBondContact O-N 3.39Å; T987-Q990 WeakPolarHBondContact O-CB 3.23Å; T987-Q990 PolarHBondContact O-N 3.35Å; E988-Q990 PolarHBondContact O-N 2.95Å; Q990-G994 PolarHBondContact O-N 3.24Å; Q990-L1032 HydrophobicContact CB-CD1 3.81Å; Q990-L1032 HydrophobicContact CB-CD2 4.11Å; Q990-L1032 HydrophobicContact CG-CD1 3.92Å; Q990-L1036 HydrophobicContact CG-CD1 4.41Å; Q990-L1036 HydrophobicContact CG-CD2 4.34Å
991	Q	90.1	Very high	88.7	Confident	115 Å²	115	62.9 Å²	62.9	54%	0.537	35%	0.35	S	S	.	.	H	α-helix	trans	-69.7	-55.4	174.2	-169.8	60	42.4	0	0	110.2	T987 E988 L989 F993 G994 D995	T987-Q991 PolarHBondContact O-N 3.39Å; T987-Q991 VanDerWaalsContact O-N 3.08Å; E988-Q991 WeakPolarHBondContact O-CB 3.44Å; E988-Q991 PolarHBondContact O-N 3.28Å; E988-Q991 VanDerWaalsContact O-N 3.1Å; L989-Q991 VanDerWaalsContact C-N 3.31Å; L989-Q991 PolarHBondContact O-N 3.17Å; Q991-F993 PolarHBondContact O-N 2.86Å; Q991-G994 CarbonylContact O-C 3.6Å; Q991-G994 WeakPolarHBondContact O-CA 3.38Å; Q991-G994 PolarHBondContact O-N 3.37Å; Q991-D995 WeakPolarHBondContact CG-OD2 3.46Å; Q991-D995 PolarHBondContact NE2-OD1 2.82Å; Q991-D995 PolarHBondContact NE2-OD2 2.97Å; Q991-D995 PolarHBondContact O-N 3.26Å
992	I	92.5	Very high	88.7	Confident	49 Å²	49	65.8 Å²	65.8	25%	0.251	37%	0.369	S	S	.	.	H	α-helix	trans	-54.6	-49.9	-178.7	-65.5	161.6	0	0	0	111.9	F981 K984 E988 G994 W996	F981-I992 HydrophobicContact CE1-CG2 4.11Å; K984-I992 HydrophobicContact CG-CD1 4.4Å; E988-I992 WeakPolarHBondContact O-CG1 2.76Å; E988-I992 PolarHBondContact O-N 3.47Å; I992-G994 VanDerWaalsContact C-N 3.34Å; I992-W996 VanDerWaalsContact O-CB 3.29Å; I992-W996 WeakPolarHBondContact O-CB 3.46Å; I992-W996 PolarHBondContact O-N 3.42Å
993	F	93.9	Very high	89.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-71.5	-29.1	177.3	-59	-38.6	0	0	0	112.8	F981 L989 Q991 W996 I997 L1011 V1029 L1032 L1033 L1036	F981-F993 HydrophobicContact CD1-CE1 4.14Å; F981-F993 HydrophobicContact CD1-CZ 4.28Å; F981-F993 HydrophobicContact CE1-CD1 4.45Å; F981-F993 AromaticContact CE1-CE1 3.57Å; F981-F993 HydrophobicContact CE1-CE1 3.57Å; F981-F993 HydrophobicContact CE1-CZ 4.17Å; F981-F993 HydrophobicContact CZ-CE1 4.02Å; L989-F993 HydrophobicContact CB-CD2 4.24Å; L989-F993 HydrophobicContact CB-CE2 3.85Å; L989-F993 HydrophobicContact CB-CZ 4.49Å; L989-F993 HydrophobicContact CD2-CE2 4.37Å; L989-F993 HydrophobicContact CD2-CZ 4.18Å; L989-F993 WeakPolarHBondContact O-CB 3.45Å; L989-F993 WeakPolarHBondContact O-CD2 3.45Å; L989-F993 VanDerWaalsContact O-CG 3.25Å; L989-F993 WeakPolarHBondContact O-CG 3.27Å; L989-F993 PolarHBondContact O-N 3.32Å; Q991-F993 PolarHBondContact O-N 2.86Å; F993-W996 HydrophobicContact CD1-CE3 4.12Å; F993-W996 HydrophobicContact CD1-CZ3 4.43Å; F993-I997 WeakPolarHBondContact O-CB 3.38Å; F993-I997 VanDerWaalsContact O-CD1 3.26Å; F993-I997 WeakPolarHBondContact O-CD1 3.46Å; F993-I997 WeakPolarHBondContact O-CG1 3.41Å; F993-I997 PolarHBondContact O-N 2.85Å; F993-I997 VanDerWaalsContact O-N 3.12Å; F993-L1011 HydrophobicContact CD1-CD2 4.43Å; F993-L1011 HydrophobicContact CE1-CD1 3.83Å; F993-L1011 HydrophobicContact CE1-CD2 3.72Å; F993-L1011 HydrophobicContact CE1-CG 4.43Å; F993-L1011 HydrophobicContact CZ-CD1 3.7Å; F993-L1011 HydrophobicContact CZ-CD2 4.11Å; F993-V1029 HydrophobicContact CE2-CG1 3.83Å; F993-V1029 HydrophobicContact CZ-CG1 3.95Å; F993-L1032 HydrophobicContact CD2-CD2 4.09Å; F993-L1032 HydrophobicContact CD2-CG 4.34Å; F993-L1032 HydrophobicContact CE2-CD2 4.32Å; F993-L1033 HydrophobicContact CB-CD1 4.39Å; F993-L1033 HydrophobicContact CG-CD1 4.28Å; F993-L1036 HydrophobicContact CB-CD1 3.58Å
994	G	90.9	Very high	89.6	Confident	9 Å²	9	60.2 Å²	60.2	9%	0.093	34%	0.335	C	S	.	.	H	α-helix	trans	-65.8	-49.2	175.7	0	0	0	0	0	111.2	Q990 Q991 I992 I997 T998	Q990-G994 PolarHBondContact O-N 3.24Å; Q991-G994 CarbonylContact O-C 3.6Å; Q991-G994 WeakPolarHBondContact O-CA 3.38Å; Q991-G994 PolarHBondContact O-N 3.37Å; I992-G994 VanDerWaalsContact C-N 3.34Å; G994-I997 PolarHBondContact O-N 3.34Å; G994-T998 WeakPolarHBondContact O-CG2 3.16Å; G994-T998 PolarHBondContact O-N 2.94Å; G994-T998 PolarHBondContact O-OG1 3.17Å; G994-T998 VanDerWaalsContact O-OG1 3.1Å
995	D	90.3	Very high	89.6	Confident	79 Å²	79	62.9 Å²	62.9	42%	0.422	35%	0.352	S	S	.	.	H	α-helix	trans	-61.5	-52.2	177.4	-63.3	-31.6	0	0	0	110.1	Q991 I997 T998 S999	Q991-D995 WeakPolarHBondContact CG-OD2 3.46Å; Q991-D995 PolarHBondContact NE2-OD1 2.82Å; Q991-D995 PolarHBondContact NE2-OD2 2.97Å; Q991-D995 PolarHBondContact O-N 3.26Å; D995-I997 VanDerWaalsContact C-N 3.34Å; D995-I997 PolarHBondContact O-N 3.29Å; D995-T998 CarbonylContact O-C 3.5Å; D995-T998 WeakPolarHBondContact O-CA 3.39Å; D995-T998 PolarHBondContact O-N 3.47Å; D995-T998 PolarHBondContact O-OG1 2.65Å; D995-S999 PolarHBondContact O-N 2.99Å; D995-S999 PolarHBondContact O-OG 3.33Å
996	W	91.7	Very high	89.6	Confident	18 Å²	18	65.1 Å²	65.1	7%	0.068	36%	0.358	C	S	.	.	H	α-helix	trans	-52.6	-44	177.3	-179	47.4	0	0	0	114	I992 F993 T998 S999 E1000 P1003 D1007 V1008 L1011 L1033 W1048	I992-W996 VanDerWaalsContact O-CB 3.29Å; I992-W996 WeakPolarHBondContact O-CB 3.46Å; I992-W996 PolarHBondContact O-N 3.42Å; F993-W996 HydrophobicContact CD1-CE3 4.12Å; F993-W996 HydrophobicContact CD1-CZ3 4.43Å; W996-T998 PolarHBondContact O-N 3.43Å; W996-S999 PolarHBondContact O-OG 3.33Å; W996-E1000 PolarHBondContact O-N 2.97Å; W996-P1003 HydrophobicContact CZ2-CB 4.26Å; W996-D1007 HydrophobicContact CH2-CB 4.31Å; W996-D1007 HydrophobicContact CZ2-CB 3.34Å; W996-D1007 PolarHBondContact NE1-OD2 3.02Å; W996-V1008 HydrophobicContact CH2-CG2 4.02Å; W996-V1008 HydrophobicContact CZ2-CG2 4.07Å; W996-L1011 HydrophobicContact CH2-CD2 4.46Å; W996-L1011 HydrophobicContact CZ3-CD2 4.04Å; W996-L1033 HydrophobicContact CZ3-CD1 4.31Å; W996-W1048 AromaticContact CD2-CH2 3.71Å; W996-W1048 HydrophobicContact CD2-CH2 3.71Å; W996-W1048 AromaticContact CD2-CZ3 3.86Å; W996-W1048 HydrophobicContact CD2-CZ3 3.86Å; W996-W1048 AromaticContact CE2-CH2 3.69Å; W996-W1048 AromaticContact CE2-CZ3 3.9Å; W996-W1048 HydrophobicContact CE3-CH2 4.13Å; W996-W1048 AromaticContact CE3-CZ3 3.81Å; W996-W1048 HydrophobicContact CE3-CZ3 3.81Å; W996-W1048 HydrophobicContact CG-CH2 4.04Å; W996-W1048 HydrophobicContact CH2-CH2 4.49Å; W996-W1048 AromaticContact CH2-CZ3 3.88Å; W996-W1048 HydrophobicContact CH2-CZ3 3.88Å; W996-W1048 HydrophobicContact CZ2-CH2 4.07Å; W996-W1048 AromaticContact CZ2-CZ3 3.89Å; W996-W1048 HydrophobicContact CZ2-CZ3 3.89Å; W996-W1048 AromaticContact CZ3-CZ3 3.84Å; W996-W1048 HydrophobicContact CZ3-CZ3 3.84Å
997	I	91.1	Very high	89.7	Confident	7 Å²	7	62.6 Å²	62.6	4%	0.036	34%	0.344	C	S	.	.	H	α-helix	trans	-71.9	-17.6	178.5	-67.7	164.5	0	0	0	112.5	F993 G994 D995 L1033 L1036 I1037 L1040 A1041 W1048	F993-I997 WeakPolarHBondContact O-CB 3.38Å; F993-I997 VanDerWaalsContact O-CD1 3.26Å; F993-I997 WeakPolarHBondContact O-CD1 3.46Å; F993-I997 WeakPolarHBondContact O-CG1 3.41Å; F993-I997 PolarHBondContact O-N 2.85Å; F993-I997 VanDerWaalsContact O-N 3.12Å; G994-I997 PolarHBondContact O-N 3.34Å; D995-I997 VanDerWaalsContact C-N 3.34Å; D995-I997 PolarHBondContact O-N 3.29Å; I997-L1033 HydrophobicContact CD1-CD1 4.07Å; I997-L1036 HydrophobicContact CD1-CB 3.68Å; I997-I1037 HydrophobicContact CD1-CG1 3.66Å; I997-I1037 HydrophobicContact CG1-CG1 4.43Å; I997-L1040 HydrophobicContact CG2-CB 3.7Å; I997-A1041 HydrophobicContact CG2-CB 3.92Å; I997-W1048 HydrophobicContact CB-CH2 4.33Å; I997-W1048 HydrophobicContact CB-CZ2 4.43Å; I997-W1048 HydrophobicContact CB-CZ3 4.49Å; I997-W1048 HydrophobicContact CD1-CZ3 4.47Å; I997-W1048 HydrophobicContact CG1-CD2 4.3Å; I997-W1048 HydrophobicContact CG1-CE3 3.79Å; I997-W1048 HydrophobicContact CG1-CH2 3.75Å; I997-W1048 HydrophobicContact CG1-CZ2 4.25Å; I997-W1048 HydrophobicContact CG1-CZ3 3.49Å; I997-W1048 VanDerWaalsContact CG1-CZ3 3.49Å
998	T	88.7	Confident	89.9	Confident	92 Å²	92	58.1 Å²	58.1	56%	0.564	32%	0.317	S	S	*	.	H	α-helix	trans	-104	-19.1	178.9	59.7	0	0	0	0	114.5	G994 D995 W996 L1040	G994-T998 WeakPolarHBondContact O-CG2 3.16Å; G994-T998 PolarHBondContact O-N 2.94Å; G994-T998 PolarHBondContact O-OG1 3.17Å; G994-T998 VanDerWaalsContact O-OG1 3.1Å; D995-T998 CarbonylContact O-C 3.5Å; D995-T998 WeakPolarHBondContact O-CA 3.39Å; D995-T998 PolarHBondContact O-N 3.47Å; D995-T998 PolarHBondContact O-OG1 2.65Å; W996-T998 PolarHBondContact O-N 3.43Å; T998-L1040 HydrophobicContact CG2-CB 4.26Å; T998-L1040 HydrophobicContact CG2-CD1 4.19Å
999	S	87.6	Confident	89.9	Confident	80 Å²	80	59.3 Å²	59.3	56%	0.559	32%	0.323	S	S	*	.	H	α-helix	trans	-82.8	-39.9	174.7	60.6	0	0	0	0	112.5	D995 W996	D995-S999 PolarHBondContact O-N 2.99Å; D995-S999 PolarHBondContact O-OG 3.33Å; W996-S999 PolarHBondContact O-OG 3.33Å
1000	E	83.5	Confident	89.8	Confident	62 Å²	62	61.7 Å²	61.7	29%	0.29	34%	0.335	S	S	.	.			trans	-104.8	126.5	-175.3	-67.8	-62.4	136.7	0	0	111.6	W996 V1002 Q1004 W1048	W996-E1000 PolarHBondContact O-N 2.97Å; E1000-V1002 VanDerWaalsContact C-N 3.26Å; E1000-V1002 PolarHBondContact O-N 3.26Å; E1000-Q1004 PolarHBondContact OE2-NE2 2.75Å; E1000-W1048 HydrophobicContact CB-CZ2 4.26Å; E1000-W1048 WeakPolarHBondContact O-CZ2 3.31Å
1001	A	83	Confident	89.9	Confident	78 Å²	78	56.5 Å²	56.5	65%	0.645	31%	0.311	S	S	*	.	S	Bend	trans	-68.5	-27.6	177.7	0	0	0	0	0	112.7	P1043	A1001-P1043 WeakPolarHBondContact O-CG 3.42Å
1002	V	87.5	Confident	90.1	Very high	71 Å²	71	51.2 Å²	51.2	43%	0.43	29%	0.286	S	S	.	.	S	Bend	trans	-137.2	134.6	179.8	175.7	0	0	0	0	106.8	E1000 Q1004	E1000-V1002 VanDerWaalsContact C-N 3.26Å; E1000-V1002 PolarHBondContact O-N 3.26Å; V1002-Q1004 PolarHBondContact O-N 2.82Å
1003	P	89.9	Confident	90	Very high	11 Å²	11	53 Å²	53	7%	0.071	30%	0.296	C	S	.	.			trans	-64.5	129	178.2	26.7	-33	0	0	0	111	W996 V1008 W1048 A1051	W996-P1003 HydrophobicContact CZ2-CB 4.26Å; P1003-V1008 HydrophobicContact CB-CG2 3.9Å; P1003-W1048 HydrophobicContact CB-CD2 4.09Å; P1003-W1048 HydrophobicContact CB-CE3 3.82Å; P1003-W1048 HydrophobicContact CB-CH2 3.86Å; P1003-W1048 HydrophobicContact CB-CZ2 4.11Å; P1003-W1048 HydrophobicContact CB-CZ3 3.71Å; P1003-W1048 HydrophobicContact CG-CD2 4.02Å; P1003-W1048 HydrophobicContact CG-CE3 4.1Å; P1003-W1048 HydrophobicContact CG-CG 4.37Å; P1003-W1048 HydrophobicContact CG-CZ3 4.48Å; P1003-A1051 HydrophobicContact CB-CB 4.15Å; P1003-A1051 HydrophobicContact CG-CB 3.57Å
1004	Q	90	Very high	90	Very high	86 Å²	86	53.1 Å²	53.1	40%	0.402	30%	0.297	S	S	.	.			trans	-69.5	142.2	172.1	-51.9	-59.5	-16.8	0	0	109.6	E1000 V1002 E1006 D1007 V1008	E1000-Q1004 PolarHBondContact OE2-NE2 2.75Å; V1002-Q1004 PolarHBondContact O-N 2.82Å; Q1004-E1006 PolarHBondContact O-N 3.04Å; Q1004-D1007 PolarHBondContact O-N 3.47Å; Q1004-V1008 WeakPolarHBondContact O-CG2 3.46Å; Q1004-V1008 PolarHBondContact O-N 3.3Å
1005	N	88.6	Confident	90.1	Very high	124 Å²	124	52.7 Å²	52.7	66%	0.663	29%	0.292	S	S	*	.	H	α-helix	trans	-68.7	-30.2	-173.6	-69.2	-56.2	0	0	0	111.8	V1008 Q1009	N1005-V1008 PolarHBondContact O-N 2.83Å; N1005-Q1009 WeakPolarHBondContact O-CB 3.21Å; N1005-Q1009 PolarHBondContact O-N 2.99Å
1006	E	88.6	Confident	90.1	Very high	120 Å²	120	50.2 Å²	50.2	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-62.8	-51.1	179.4	-63.6	66.5	-151	0	0	110.3	Q1004 V1008 Q1009 I1010	Q1004-E1006 PolarHBondContact O-N 3.04Å; E1006-V1008 VanDerWaalsContact C-N 3.33Å; E1006-V1008 PolarHBondContact O-N 2.98Å; E1006-Q1009 PolarHBondContact O-N 2.74Å; E1006-I1010 VanDerWaalsContact O-CG1 3.29Å; E1006-I1010 WeakPolarHBondContact O-CG1 3.35Å; E1006-I1010 PolarHBondContact O-N 2.76Å
1007	D	91	Very high	90	Very high	27 Å²	27	52.1 Å²	52.1	14%	0.144	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-41.1	175.9	-64.2	-31.8	0	0	0	111.9	W996 Q1004 Q1009 I1010 L1011	W996-D1007 HydrophobicContact CH2-CB 4.31Å; W996-D1007 HydrophobicContact CZ2-CB 3.34Å; W996-D1007 PolarHBondContact NE1-OD2 3.02Å; Q1004-D1007 PolarHBondContact O-N 3.47Å; D1007-Q1009 VanDerWaalsContact C-N 3.32Å; D1007-Q1009 PolarHBondContact O-N 2.96Å; D1007-I1010 PolarHBondContact O-N 3.28Å; D1007-L1011 PolarHBondContact O-N 2.99Å
1008	V	92.5	Very high	90	Very high	14 Å²	14	52.7 Å²	52.7	9%	0.085	30%	0.3	C	S	.	.	H	α-helix	trans	-62.8	-39.4	176.3	172.1	0	0	0	0	110.8	W996 P1003 Q1004 N1005 E1006 T1012 A1051 I1055	W996-V1008 HydrophobicContact CH2-CG2 4.02Å; W996-V1008 HydrophobicContact CZ2-CG2 4.07Å; P1003-V1008 HydrophobicContact CB-CG2 3.9Å; Q1004-V1008 WeakPolarHBondContact O-CG2 3.46Å; Q1004-V1008 PolarHBondContact O-N 3.3Å; N1005-V1008 PolarHBondContact O-N 2.83Å; E1006-V1008 VanDerWaalsContact C-N 3.33Å; E1006-V1008 PolarHBondContact O-N 2.98Å; V1008-T1012 WeakPolarHBondContact O-CB 3.16Å; V1008-T1012 PolarHBondContact O-N 3.16Å; V1008-T1012 PolarHBondContact O-OG1 3.12Å; V1008-A1051 HydrophobicContact CG2-CB 3.91Å; V1008-I1055 HydrophobicContact CG1-CD1 4.24Å; V1008-I1055 HydrophobicContact CG1-CG1 3.91Å
1009	Q	91.8	Very high	89.9	Confident	95 Å²	95	48.6 Å²	48.6	44%	0.444	28%	0.275	S	S	.	.	H	α-helix	trans	-68.5	-46.9	176.3	-169.5	61.4	46	0	0	111.3	N1005 E1006 D1007 L1011 T1012 D1013	N1005-Q1009 WeakPolarHBondContact O-CB 3.21Å; N1005-Q1009 PolarHBondContact O-N 2.99Å; E1006-Q1009 PolarHBondContact O-N 2.74Å; D1007-Q1009 VanDerWaalsContact C-N 3.32Å; D1007-Q1009 PolarHBondContact O-N 2.96Å; Q1009-L1011 VanDerWaalsContact C-N 3.27Å; Q1009-L1011 PolarHBondContact O-N 2.94Å; Q1009-T1012 CarbonylContact O-C 3.44Å; Q1009-T1012 WeakPolarHBondContact O-CA 3.39Å; Q1009-T1012 WeakPolarHBondContact O-CB 3.48Å; Q1009-T1012 PolarHBondContact O-N 2.89Å; Q1009-D1013 PolarHBondContact NE2-OD1 3.25Å; Q1009-D1013 PolarHBondContact O-N 3.33Å
1010	I	91.2	Very high	89.7	Confident	49 Å²	49	49.4 Å²	49.4	25%	0.251	27%	0.273	S	S	.	.	H	α-helix	trans	-56.3	-41.9	177.7	-66.1	162.2	0	0	0	111.1	P977 F981 E1006 D1007 Y1014	P977-I1010 HydrophobicContact CB-CG1 4.18Å; P977-I1010 HydrophobicContact CB-CG2 4.03Å; P977-I1010 WeakPolarHBondContact O-CG2 3.43Å; F981-I1010 HydrophobicContact CE2-CG2 3.99Å; E1006-I1010 VanDerWaalsContact O-CG1 3.29Å; E1006-I1010 WeakPolarHBondContact O-CG1 3.35Å; E1006-I1010 PolarHBondContact O-N 2.76Å; D1007-I1010 PolarHBondContact O-N 3.28Å; I1010-Y1014 WeakPolarHBondContact O-CB 3.35Å; I1010-Y1014 PolarHBondContact O-N 2.84Å; I1010-Y1014 VanDerWaalsContact O-N 3.16Å
1011	L	93.5	Very high	89.9	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-69.5	-36.4	174.8	-176.8	55.6	0	0	0	112.8	F981 F993 W996 D1007 Q1009 Y1014 L1015 V1029 L1033 I1055	F981-L1011 HydrophobicContact CD2-CD1 3.96Å; F981-L1011 HydrophobicContact CE2-CB 3.86Å; F981-L1011 HydrophobicContact CE2-CD1 3.73Å; F981-L1011 HydrophobicContact CE2-CG 4.38Å; F981-L1011 HydrophobicContact CG-CD1 4.46Å; F981-L1011 HydrophobicContact CZ-CB 4.21Å; F981-L1011 HydrophobicContact CZ-CD1 4.04Å; F993-L1011 HydrophobicContact CD1-CD2 4.43Å; F993-L1011 HydrophobicContact CE1-CD1 3.83Å; F993-L1011 HydrophobicContact CE1-CD2 3.72Å; F993-L1011 HydrophobicContact CE1-CG 4.43Å; F993-L1011 HydrophobicContact CZ-CD1 3.7Å; F993-L1011 HydrophobicContact CZ-CD2 4.11Å; W996-L1011 HydrophobicContact CH2-CD2 4.46Å; W996-L1011 HydrophobicContact CZ3-CD2 4.04Å; D1007-L1011 PolarHBondContact O-N 2.99Å; Q1009-L1011 VanDerWaalsContact C-N 3.27Å; Q1009-L1011 PolarHBondContact O-N 2.94Å; L1011-Y1014 HydrophobicContact CD1-CD1 4.11Å; L1011-L1015 HydrophobicContact CD1-CD1 4.11Å; L1011-L1015 HydrophobicContact CD1-CG 4.2Å; L1011-L1015 HydrophobicContact CG-CD1 4.14Å; L1011-L1015 WeakPolarHBondContact O-CB 3.28Å; L1011-L1015 VanDerWaalsContact O-CG 3.25Å; L1011-L1015 WeakPolarHBondContact O-CG 3.2Å; L1011-L1015 PolarHBondContact O-N 3.25Å; L1011-V1029 HydrophobicContact CD1-CG1 4.41Å; L1011-L1033 HydrophobicContact CD2-CD2 3.84Å; L1011-I1055 HydrophobicContact CD2-CD1 4.25Å
1012	T	93.8	Very high	90.1	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-43.4	176.4	-59.6	0	0	0	0	111.7	V1008 Q1009 L1015 S1016 T1058	V1008-T1012 WeakPolarHBondContact O-CB 3.16Å; V1008-T1012 PolarHBondContact O-N 3.16Å; V1008-T1012 PolarHBondContact O-OG1 3.12Å; Q1009-T1012 CarbonylContact O-C 3.44Å; Q1009-T1012 WeakPolarHBondContact O-CA 3.39Å; Q1009-T1012 WeakPolarHBondContact O-CB 3.48Å; Q1009-T1012 PolarHBondContact O-N 2.89Å; T1012-L1015 PolarHBondContact O-N 2.66Å; T1012-S1016 VanDerWaalsContact O-CB 3.27Å; T1012-S1016 WeakPolarHBondContact O-CB 3.39Å; T1012-S1016 PolarHBondContact O-N 2.84Å; T1012-S1016 PolarHBondContact O-OG 2.96Å; T1012-T1058 HydrophobicContact CG2-CG2 3.6Å
1013	D	91.8	Very high	90	Very high	86 Å²	86	51.4 Å²	51.4	46%	0.46	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-46.3	179.8	-67.9	-23.6	0	0	0	111.2	Q1009 L1015 S1016 S1017	Q1009-D1013 PolarHBondContact NE2-OD1 3.25Å; Q1009-D1013 PolarHBondContact O-N 3.33Å; D1013-L1015 PolarHBondContact O-N 3.43Å; D1013-S1016 PolarHBondContact O-N 3.05Å; D1013-S1017 PolarHBondContact O-N 2.83Å
1014	Y	92.9	Very high	89.8	Confident	3 Å²	3	56.9 Å²	56.9	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-58	-47.2	172.7	160.6	-101.3	0	0	0	111.9	F981 I1010 L1011 S1016 S1017 L1018 R1025	F981-Y1014 HydrophobicContact CB-CD1 3.65Å; F981-Y1014 HydrophobicContact CB-CD2 3.83Å; F981-Y1014 HydrophobicContact CB-CE1 3.47Å; F981-Y1014 VanDerWaalsContact CB-CE1 3.47Å; F981-Y1014 HydrophobicContact CB-CE2 3.67Å; F981-Y1014 HydrophobicContact CB-CG 3.81Å; F981-Y1014 VanDerWaalsContact CB-CZ 3.46Å; F981-Y1014 AromaticContact CD2-CD1 3.7Å; F981-Y1014 HydrophobicContact CD2-CD1 3.7Å; F981-Y1014 HydrophobicContact CD2-CE1 4.32Å; F981-Y1014 AromaticContact CD2-CG 3.8Å; F981-Y1014 HydrophobicContact CD2-CG 3.8Å; F981-Y1014 HydrophobicContact CG-CD1 4Å; F981-Y1014 HydrophobicContact CG-CE1 4.16Å; F981-Y1014 HydrophobicContact CG-CG 4.28Å; F981-Y1014 PolarHBondContact O-OH 3.22Å; I1010-Y1014 WeakPolarHBondContact O-CB 3.35Å; I1010-Y1014 PolarHBondContact O-N 2.84Å; I1010-Y1014 VanDerWaalsContact O-N 3.16Å; L1011-Y1014 HydrophobicContact CD1-CD1 4.11Å; Y1014-S1016 VanDerWaalsContact C-N 3.3Å; Y1014-S1016 PolarHBondContact O-N 3.36Å; Y1014-S1017 WeakPolarHBondContact O-CB 3.47Å; Y1014-S1017 PolarHBondContact O-N 2.95Å; Y1014-S1017 PolarHBondContact O-OG 2.92Å; Y1014-L1018 HydrophobicContact CE1-CD1 4.06Å; Y1014-L1018 HydrophobicContact CE2-CD1 4.04Å; Y1014-L1018 HydrophobicContact CE2-CG 4.45Å; Y1014-L1018 PolarHBondContact O-N 3.47Å; Y1014-R1025 VanDerWaalsContact OH-CZ 3.27Å; Y1014-R1025 PolarHBondContact OH-NE 3.3Å; Y1014-R1025 PolarHBondContact OH-NH2 3.4Å
1015	L	92.9	Very high	89.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66	-33.6	177.2	-71.8	174.6	0	0	0	112.4	L1011 T1012 D1013 L1018 V1019 I1026 V1029 L1030 I1055 L1059	L1011-L1015 HydrophobicContact CD1-CD1 4.11Å; L1011-L1015 HydrophobicContact CD1-CG 4.2Å; L1011-L1015 HydrophobicContact CG-CD1 4.14Å; L1011-L1015 WeakPolarHBondContact O-CB 3.28Å; L1011-L1015 VanDerWaalsContact O-CG 3.25Å; L1011-L1015 WeakPolarHBondContact O-CG 3.2Å; L1011-L1015 PolarHBondContact O-N 3.25Å; T1012-L1015 PolarHBondContact O-N 2.66Å; D1013-L1015 PolarHBondContact O-N 3.43Å; L1015-L1018 PolarHBondContact O-N 3.13Å; L1015-V1019 PolarHBondContact O-N 3.45Å; L1015-I1026 HydrophobicContact CD2-CB 4.41Å; L1015-I1026 HydrophobicContact CD2-CG1 4.21Å; L1015-I1026 HydrophobicContact CD2-CG2 4.38Å; L1015-I1026 WeakPolarHBondContact O-CD1 3.38Å; L1015-V1029 HydrophobicContact CD1-CG1 4.26Å; L1015-V1029 HydrophobicContact CD2-CB 3.98Å; L1015-V1029 HydrophobicContact CD2-CG1 3.87Å; L1015-V1029 HydrophobicContact CD2-CG2 4.49Å; L1015-L1030 HydrophobicContact CD1-CD2 3.97Å; L1015-L1030 HydrophobicContact CD1-CG 4.42Å; L1015-I1055 HydrophobicContact CD1-CG2 3.93Å; L1015-L1059 HydrophobicContact CB-CD1 3.81Å; L1015-L1059 HydrophobicContact CB-CD2 3.74Å; L1015-L1059 HydrophobicContact CB-CG 4.36Å; L1015-L1059 HydrophobicContact CD1-CD1 3.93Å; L1015-L1059 HydrophobicContact CG-CD1 4.48Å
1016	S	90.9	Very high	89.9	Confident	26 Å²	26	49.8 Å²	49.8	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-67.7	-39.4	176.1	-60.5	0	0	0	0	111.5	T1012 D1013 Y1014 L1018 V1019	T1012-S1016 VanDerWaalsContact O-CB 3.27Å; T1012-S1016 WeakPolarHBondContact O-CB 3.39Å; T1012-S1016 PolarHBondContact O-N 2.84Å; T1012-S1016 PolarHBondContact O-OG 2.96Å; D1013-S1016 PolarHBondContact O-N 3.05Å; Y1014-S1016 VanDerWaalsContact C-N 3.3Å; Y1014-S1016 PolarHBondContact O-N 3.36Å; S1016-L1018 PolarHBondContact O-N 3.07Å; S1016-V1019 VanDerWaalsContact O-CB 3.3Å; S1016-V1019 WeakPolarHBondContact O-CB 3.3Å; S1016-V1019 PolarHBondContact O-N 2.86Å
1017	S	90.1	Very high	90	Very high	58 Å²	58	48.5 Å²	48.5	41%	0.406	25%	0.251	S	S	.	.	H	α-helix	trans	-56.5	-36.5	172.9	83.8	0	0	0	0	112.2	D1013 Y1014 V1019	D1013-S1017 PolarHBondContact O-N 2.83Å; Y1014-S1017 WeakPolarHBondContact O-CB 3.47Å; Y1014-S1017 PolarHBondContact O-N 2.95Å; Y1014-S1017 PolarHBondContact O-OG 2.92Å; S1017-V1019 VanDerWaalsContact C-N 3.32Å; S1017-V1019 PolarHBondContact O-N 2.81Å
1018	L	90.3	Very high	89.9	Confident	20 Å²	20	49.2 Å²	49.2	11%	0.105	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-76.1	-13.3	179.6	-64	179.9	0	0	0	113.7	Y1014 L1015 S1016 N1020 T1021 N1022 R1025 I1026	Y1014-L1018 HydrophobicContact CE1-CD1 4.06Å; Y1014-L1018 HydrophobicContact CE2-CD1 4.04Å; Y1014-L1018 HydrophobicContact CE2-CG 4.45Å; Y1014-L1018 PolarHBondContact O-N 3.47Å; L1015-L1018 PolarHBondContact O-N 3.13Å; S1016-L1018 PolarHBondContact O-N 3.07Å; L1018-N1020 PolarHBondContact O-N 3.31Å; L1018-N1020 VanDerWaalsContact O-N 3.14Å; L1018-T1021 PolarHBondContact O-N 3.05Å; L1018-N1022 HydrophobicContact CD2-CB 4.36Å; L1018-N1022 CarbonylContact O-C 3.28Å; L1018-N1022 PolarHBondContact O-N 2.9Å; L1018-R1025 HydrophobicContact CD1-CB 4.19Å; L1018-R1025 HydrophobicContact CD1-CG 3.88Å; L1018-I1026 HydrophobicContact CB-CD1 3.94Å; L1018-I1026 HydrophobicContact CB-CG1 3.65Å; L1018-I1026 HydrophobicContact CD1-CG1 4.38Å
1019	V	87.5	Confident	89.9	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.03	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-59.8	-28.4	177.6	172.3	0	0	0	0	110.5	L1015 S1016 S1017 I1026 L1059 I1063 Y1067	L1015-V1019 PolarHBondContact O-N 3.45Å; S1016-V1019 VanDerWaalsContact O-CB 3.3Å; S1016-V1019 WeakPolarHBondContact O-CB 3.3Å; S1016-V1019 PolarHBondContact O-N 2.86Å; S1017-V1019 VanDerWaalsContact C-N 3.32Å; S1017-V1019 PolarHBondContact O-N 2.81Å; V1019-I1026 HydrophobicContact CB-CD1 4.36Å; V1019-I1026 HydrophobicContact CG2-CD1 3.66Å; V1019-L1059 HydrophobicContact CG2-CD2 4.14Å; V1019-I1063 HydrophobicContact CG1-CG1 3.71Å; V1019-I1063 HydrophobicContact CG2-CD1 4.41Å; V1019-I1063 HydrophobicContact CG2-CG1 4.04Å; V1019-Y1067 HydrophobicContact CG1-CE2 4.16Å; V1019-Y1067 PolarHBondContact O-OH 3.44Å
1020	N	82.9	Confident	90	Very high	97 Å²	97	44 Å²	44	52%	0.519	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-80.6	-19.6	179.6	-67	-42.3	0	0	0	114.5	L1018 K1066	L1018-N1020 PolarHBondContact O-N 3.31Å; L1018-N1020 VanDerWaalsContact O-N 3.14Å; N1020-K1066 VanDerWaalsContact OD1-CD 3.27Å; N1020-K1066 WeakPolarHBondContact OD1-CD 3.36Å; N1020-K1066 WeakPolarHBondContact OD1-CE 3.4Å; N1020-K1066 PolarHBondContact OD1-NZ 3.33Å
1021	T	86.8	Confident	90	Very high	109 Å²	109	43.1 Å²	43.1	67%	0.669	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.3	-36.2	-161.1	58	0	0	0	0	115	L1018	L1018-T1021 PolarHBondContact O-N 3.05Å
1022	N	87.1	Confident	89.9	Confident	69 Å²	69	43.9 Å²	43.9	37%	0.369	23%	0.232	S	C	.	.			trans	-152.5	71.5	-169	-161.6	-20.1	0	0	0	113.8	L1018 E1024 R1025 I1026	L1018-N1022 HydrophobicContact CD2-CB 4.36Å; L1018-N1022 CarbonylContact O-C 3.28Å; L1018-N1022 PolarHBondContact O-N 2.9Å; N1022-E1024 PolarHBondContact O-N 3.47Å; N1022-R1025 HydrophobicContact CB-CB 4.1Å; N1022-R1025 VanDerWaalsContact CG-CB 3.45Å; N1022-R1025 PolarHBondContact O-N 2.7Å; N1022-R1025 VanDerWaalsContact O-N 3.08Å; N1022-R1025 WeakPolarHBondContact OD1-CB 3.2Å; N1022-R1025 PolarHBondContact OD1-N 3.21Å; N1022-I1026 PolarHBondContact O-N 2.76Å
1023	L	86.9	Confident	89.9	Confident	76 Å²	76	43.7 Å²	43.7	40%	0.398	23%	0.231	S	C	.	.	H	α-helix	trans	-58	-28.5	176	-60.2	176.9	0	0	0	113.5	I1026 R1027	L1023-I1026 HydrophobicContact CD2-CD1 4.22Å; L1023-I1026 PolarHBondContact O-N 3.43Å; L1023-R1027 WeakPolarHBondContact O-CB 2.93Å; L1023-R1027 PolarHBondContact O-N 3.45Å
1024	E	85.3	Confident	89.9	Confident	125 Å²	125	41.1 Å²	41.1	58%	0.584	22%	0.217	S	C	*	.	H	α-helix	trans	-73.6	-30.9	176.8	-70.9	-61.2	152.9	0	0	112.5	N1022 R1027 S1028	N1022-E1024 PolarHBondContact O-N 3.47Å; E1024-R1027 WeakPolarHBondContact OE2-CD 3.38Å; E1024-S1028 VanDerWaalsContact O-CB 3.32Å; E1024-S1028 WeakPolarHBondContact O-CB 3.46Å; E1024-S1028 PolarHBondContact O-N 2.85Å; E1024-S1028 PolarHBondContact O-OG 2.95Å
1025	R	90.2	Very high	89.8	Confident	58 Å²	58	48.9 Å²	48.9	22%	0.219	25%	0.247	C	C	.	.	H	α-helix	trans	-70	-40.5	171.3	-173	167.3	172	97.7	-0.1	110.8	F981 K984 Y1014 L1018 N1022 S1028 V1029	F981-R1025 PolarHBondContact O-NH2 2.96Å; K984-R1025 PolarHBondContact O-NH1 2.96Å; K984-R1025 PolarHBondContact O-NH2 2.85Å; Y1014-R1025 VanDerWaalsContact OH-CZ 3.27Å; Y1014-R1025 PolarHBondContact OH-NE 3.3Å; Y1014-R1025 PolarHBondContact OH-NH2 3.4Å; L1018-R1025 HydrophobicContact CD1-CB 4.19Å; L1018-R1025 HydrophobicContact CD1-CG 3.88Å; N1022-R1025 HydrophobicContact CB-CB 4.1Å; N1022-R1025 VanDerWaalsContact CG-CB 3.45Å; N1022-R1025 PolarHBondContact O-N 2.7Å; N1022-R1025 VanDerWaalsContact O-N 3.08Å; N1022-R1025 WeakPolarHBondContact OD1-CB 3.2Å; N1022-R1025 PolarHBondContact OD1-N 3.21Å; R1025-S1028 PolarHBondContact O-N 2.92Å; R1025-V1029 WeakPolarHBondContact O-CG2 3.26Å; R1025-V1029 PolarHBondContact O-N 2.95Å
1026	I	90.9	Very high	89.7	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-56.9	-53.1	170.4	-61.4	177.8	0	0	0	110.6	L1015 L1018 V1019 N1022 L1023 S1028 V1029 L1030 L1059	L1015-I1026 HydrophobicContact CD2-CB 4.41Å; L1015-I1026 HydrophobicContact CD2-CG1 4.21Å; L1015-I1026 HydrophobicContact CD2-CG2 4.38Å; L1015-I1026 WeakPolarHBondContact O-CD1 3.38Å; L1018-I1026 HydrophobicContact CB-CD1 3.94Å; L1018-I1026 HydrophobicContact CB-CG1 3.65Å; L1018-I1026 HydrophobicContact CD1-CG1 4.38Å; V1019-I1026 HydrophobicContact CB-CD1 4.36Å; V1019-I1026 HydrophobicContact CG2-CD1 3.66Å; N1022-I1026 PolarHBondContact O-N 2.76Å; L1023-I1026 HydrophobicContact CD2-CD1 4.22Å; L1023-I1026 PolarHBondContact O-N 3.43Å; I1026-S1028 PolarHBondContact O-N 3.14Å; I1026-V1029 PolarHBondContact O-N 3.28Å; I1026-L1030 HydrophobicContact CG2-CD1 3.57Å; I1026-L1030 HydrophobicContact CG2-CG 4.23Å; I1026-L1030 WeakPolarHBondContact O-CG 3.34Å; I1026-L1030 PolarHBondContact O-N 3.26Å; I1026-L1059 HydrophobicContact CG2-CD1 4.25Å
1027	R	88.8	Confident	89.7	Confident	92 Å²	92	48.6 Å²	48.6	35%	0.347	24%	0.243	S	C	.	.	H	α-helix	trans	-52.7	-44.7	177.1	-179.5	-173.3	175.3	79.1	15	111.3	L1023 E1024 I1031 L1074	L1023-R1027 WeakPolarHBondContact O-CB 2.93Å; L1023-R1027 PolarHBondContact O-N 3.45Å; E1024-R1027 WeakPolarHBondContact OE2-CD 3.38Å; R1027-I1031 HydrophobicContact CG-CD1 3.8Å; R1027-I1031 WeakPolarHBondContact O-CB 3.39Å; R1027-I1031 WeakPolarHBondContact O-CD1 3.39Å; R1027-I1031 WeakPolarHBondContact O-CG1 3.45Å; R1027-I1031 PolarHBondContact O-N 3.09Å; R1027-I1031 VanDerWaalsContact O-N 3.12Å; R1027-L1074 HydrophobicContact CG-CD2 4.09Å
1028	S	90.1	Very high	89.6	Confident	42 Å²	42	49.8 Å²	49.8	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-68.6	-41.6	-178	-59.5	0	0	0	0	112.9	E1024 R1025 I1026 L1032	E1024-S1028 VanDerWaalsContact O-CB 3.32Å; E1024-S1028 WeakPolarHBondContact O-CB 3.46Å; E1024-S1028 PolarHBondContact O-N 2.85Å; E1024-S1028 PolarHBondContact O-OG 2.95Å; R1025-S1028 PolarHBondContact O-N 2.92Å; I1026-S1028 PolarHBondContact O-N 3.14Å; S1028-L1032 WeakPolarHBondContact O-CB 3.26Å; S1028-L1032 PolarHBondContact O-N 2.9Å; S1028-L1032 VanDerWaalsContact O-N 3.08Å
1029	V	92.7	Very high	89.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.7	-44.1	177.5	170	0	0	0	0	111.3	L989 F993 L1011 L1015 R1025 I1026 I1031 L1032 L1033	L989-V1029 HydrophobicContact CD1-CG2 3.85Å; F993-V1029 HydrophobicContact CE2-CG1 3.83Å; F993-V1029 HydrophobicContact CZ-CG1 3.95Å; L1011-V1029 HydrophobicContact CD1-CG1 4.41Å; L1015-V1029 HydrophobicContact CD1-CG1 4.26Å; L1015-V1029 HydrophobicContact CD2-CB 3.98Å; L1015-V1029 HydrophobicContact CD2-CG1 3.87Å; L1015-V1029 HydrophobicContact CD2-CG2 4.49Å; R1025-V1029 WeakPolarHBondContact O-CG2 3.26Å; R1025-V1029 PolarHBondContact O-N 2.95Å; I1026-V1029 PolarHBondContact O-N 3.28Å; V1029-I1031 VanDerWaalsContact C-N 3.35Å; V1029-I1031 PolarHBondContact O-N 3.07Å; V1029-L1032 WeakPolarHBondContact O-CB 3.47Å; V1029-L1032 PolarHBondContact O-N 3.11Å; V1029-L1032 VanDerWaalsContact O-N 3.11Å; V1029-L1033 WeakPolarHBondContact O-CB 3.41Å; V1029-L1033 PolarHBondContact O-N 3.13Å
1030	L	93.5	Very high	89.3	Confident	1 Å²	1	58 Å²	58	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-66.3	-35.2	179.1	-68	171.5	0	0	0	112.8	L1015 I1026 L1032 D1034 Y1052 I1055 L1056 L1059 L1072 L1074	L1015-L1030 HydrophobicContact CD1-CD2 3.97Å; L1015-L1030 HydrophobicContact CD1-CG 4.42Å; I1026-L1030 HydrophobicContact CG2-CD1 3.57Å; I1026-L1030 HydrophobicContact CG2-CG 4.23Å; I1026-L1030 WeakPolarHBondContact O-CG 3.34Å; I1026-L1030 PolarHBondContact O-N 3.26Å; L1030-L1032 VanDerWaalsContact C-N 3.33Å; L1030-D1034 WeakPolarHBondContact O-CB 3.45Å; L1030-D1034 PolarHBondContact O-N 3.17Å; L1030-D1034 VanDerWaalsContact O-N 3.1Å; L1030-Y1052 HydrophobicContact CB-CE2 4.47Å; L1030-Y1052 HydrophobicContact CD2-CE2 3.99Å; L1030-Y1052 PolarHBondContact O-OH 3.14Å; L1030-I1055 HydrophobicContact CD2-CG2 3.97Å; L1030-L1056 HydrophobicContact CD1-CD2 3.82Å; L1030-L1056 HydrophobicContact CD2-CD2 4.14Å; L1030-L1056 HydrophobicContact CG-CD2 4.49Å; L1030-L1059 HydrophobicContact CD1-CD1 3.99Å; L1030-L1059 HydrophobicContact CD2-CD1 4.27Å; L1030-L1072 HydrophobicContact CD1-CD2 4.44Å; L1030-L1074 HydrophobicContact CB-CD1 4.21Å; L1030-L1074 HydrophobicContact CD1-CD1 3.8Å
1031	I	90.8	Very high	89	Confident	30 Å²	30	54.7 Å²	54.7	15%	0.154	27%	0.27	C	S	.	.	H	α-helix	trans	-68	-33.2	172.5	-70.8	168.1	0	0	0	111.5	R1027 V1029 R1035 L1076	R1027-I1031 HydrophobicContact CG-CD1 3.8Å; R1027-I1031 WeakPolarHBondContact O-CB 3.39Å; R1027-I1031 WeakPolarHBondContact O-CD1 3.39Å; R1027-I1031 WeakPolarHBondContact O-CG1 3.45Å; R1027-I1031 PolarHBondContact O-N 3.09Å; R1027-I1031 VanDerWaalsContact O-N 3.12Å; V1029-I1031 VanDerWaalsContact C-N 3.35Å; V1029-I1031 PolarHBondContact O-N 3.07Å; I1031-R1035 VanDerWaalsContact O-CD 3.28Å; I1031-R1035 WeakPolarHBondContact O-CD 3.38Å; I1031-R1035 WeakPolarHBondContact O-CG 3.49Å; I1031-R1035 PolarHBondContact O-N 3.38Å; I1031-L1076 HydrophobicContact CG1-CD2 3.9Å
1032	L	92.1	Very high	87.9	Confident	16 Å²	16	57.1 Å²	57.1	8%	0.084	27%	0.274	C	S	.	.	H	α-helix	trans	-71	-47.1	175.9	174.2	60.4	0	0	0	111.2	L986 L989 Q990 F993 S1028 V1029 L1030 R1035 L1036	L986-L1032 HydrophobicContact CD2-CD2 3.97Å; L989-L1032 HydrophobicContact CB-CD2 4Å; Q990-L1032 HydrophobicContact CB-CD1 3.81Å; Q990-L1032 HydrophobicContact CB-CD2 4.11Å; Q990-L1032 HydrophobicContact CG-CD1 3.92Å; F993-L1032 HydrophobicContact CD2-CD2 4.09Å; F993-L1032 HydrophobicContact CD2-CG 4.34Å; F993-L1032 HydrophobicContact CE2-CD2 4.32Å; S1028-L1032 WeakPolarHBondContact O-CB 3.26Å; S1028-L1032 PolarHBondContact O-N 2.9Å; S1028-L1032 VanDerWaalsContact O-N 3.08Å; V1029-L1032 WeakPolarHBondContact O-CB 3.47Å; V1029-L1032 PolarHBondContact O-N 3.11Å; V1029-L1032 VanDerWaalsContact O-N 3.11Å; L1030-L1032 VanDerWaalsContact C-N 3.33Å; L1032-R1035 PolarHBondContact O-N 3.08Å; L1032-L1036 HydrophobicContact CD1-CD1 3.9Å; L1032-L1036 HydrophobicContact CD1-CG 4.25Å; L1032-L1036 HydrophobicContact CG-CD1 4.06Å; L1032-L1036 WeakPolarHBondContact O-CG 3.48Å; L1032-L1036 PolarHBondContact O-N 3.1Å
1033	L	92.9	Very high	87	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-47.8	-178.4	-174.1	62.8	0	0	0	112.3	F993 W996 I997 L1011 V1029 R1035 L1036 I1037 Y1052 I1055	F993-L1033 HydrophobicContact CB-CD1 4.39Å; F993-L1033 HydrophobicContact CG-CD1 4.28Å; W996-L1033 HydrophobicContact CZ3-CD1 4.31Å; I997-L1033 HydrophobicContact CD1-CD1 4.07Å; L1011-L1033 HydrophobicContact CD2-CD2 3.84Å; V1029-L1033 WeakPolarHBondContact O-CB 3.41Å; V1029-L1033 PolarHBondContact O-N 3.13Å; L1033-R1035 VanDerWaalsContact C-N 3.26Å; L1033-R1035 PolarHBondContact O-N 2.89Å; L1033-L1036 PolarHBondContact O-N 2.81Å; L1033-L1036 VanDerWaalsContact O-N 3.13Å; L1033-I1037 HydrophobicContact CD1-CD1 4.04Å; L1033-I1037 HydrophobicContact CD1-CG1 4.32Å; L1033-I1037 HydrophobicContact CG-CD1 3.85Å; L1033-I1037 HydrophobicContact CG-CG1 4.48Å; L1033-I1037 WeakPolarHBondContact O-CB 3.49Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.31Å; L1033-I1037 PolarHBondContact O-N 3.33Å; L1033-Y1052 HydrophobicContact CB-CD2 4.49Å; L1033-Y1052 HydrophobicContact CB-CE2 4.35Å; L1033-Y1052 HydrophobicContact CD2-CD2 3.82Å; L1033-Y1052 HydrophobicContact CD2-CE2 4.27Å; L1033-Y1052 HydrophobicContact CG-CD2 4.05Å; L1033-Y1052 HydrophobicContact CG-CE2 4.4Å; L1033-I1055 HydrophobicContact CD2-CD1 3.93Å
1034	D	91.6	Very high	86	Confident	31 Å²	31	59 Å²	59	17%	0.166	29%	0.294	C	S	.	.	H	α-helix	trans	-57.9	-37.8	175.6	171.9	54.4	0	0	0	112.4	L1030 T1038 R1049 Y1052	L1030-D1034 WeakPolarHBondContact O-CB 3.45Å; L1030-D1034 PolarHBondContact O-N 3.17Å; L1030-D1034 VanDerWaalsContact O-N 3.1Å; D1034-T1038 WeakPolarHBondContact O-CB 3.11Å; D1034-T1038 PolarHBondContact O-N 2.54Å; D1034-T1038 PolarHBondContact O-OG1 3.12Å; D1034-T1038 PolarHBondContact OD1-OG1 2.82Å; D1034-R1049 IonicContact OD1-NH1 2.68Å; D1034-Y1052 HydrophobicContact CB-CE1 4.13Å; D1034-Y1052 HydrophobicContact CB-CE2 4.07Å
1035	R	90.7	Very high	85.7	Confident	167 Å²	167	56.7 Å²	56.7	63%	0.63	29%	0.286	S	S	*	.	H	α-helix	trans	-68.5	-38.8	176.1	-75.5	172.6	-180	171.1	2.4	113	I1031 L1032 L1033 K1039	I1031-R1035 VanDerWaalsContact O-CD 3.28Å; I1031-R1035 WeakPolarHBondContact O-CD 3.38Å; I1031-R1035 WeakPolarHBondContact O-CG 3.49Å; I1031-R1035 PolarHBondContact O-N 3.38Å; L1032-R1035 PolarHBondContact O-N 3.08Å; L1033-R1035 VanDerWaalsContact C-N 3.26Å; L1033-R1035 PolarHBondContact O-N 2.89Å; R1035-K1039 WeakPolarHBondContact O-CB 3.25Å; R1035-K1039 PolarHBondContact O-N 3.06Å; R1035-K1039 VanDerWaalsContact O-N 3.11Å
1036	L	91.4	Very high	85.4	Confident	13 Å²	13	55.3 Å²	55.3	7%	0.068	29%	0.29	C	S	.	.	H	α-helix	trans	-71.7	-45.7	178.2	-69.9	169.9	0	0	0	110.5	Q990 F993 I997 L1032 L1033 T1038 K1039 L1040	Q990-L1036 HydrophobicContact CG-CD1 4.41Å; Q990-L1036 HydrophobicContact CG-CD2 4.34Å; F993-L1036 HydrophobicContact CB-CD1 3.58Å; I997-L1036 HydrophobicContact CD1-CB 3.68Å; L1032-L1036 HydrophobicContact CD1-CD1 3.9Å; L1032-L1036 HydrophobicContact CD1-CG 4.25Å; L1032-L1036 HydrophobicContact CG-CD1 4.06Å; L1032-L1036 WeakPolarHBondContact O-CG 3.48Å; L1032-L1036 PolarHBondContact O-N 3.1Å; L1033-L1036 PolarHBondContact O-N 2.81Å; L1033-L1036 VanDerWaalsContact O-N 3.13Å; L1036-T1038 VanDerWaalsContact C-N 3.35Å; L1036-T1038 PolarHBondContact O-N 3.12Å; L1036-K1039 PolarHBondContact O-N 2.86Å; L1036-K1039 VanDerWaalsContact O-N 3.08Å; L1036-L1040 HydrophobicContact CB-CD1 4.5Å; L1036-L1040 HydrophobicContact CD2-CD1 3.87Å; L1036-L1040 WeakPolarHBondContact O-CB 3.48Å; L1036-L1040 PolarHBondContact O-N 3.13Å
1037	I	90.8	Very high	85.4	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.036	29%	0.292	C	S	.	.	H	α-helix	trans	-57.2	-48.3	172.8	-68.3	173.1	0	0	0	110.3	I997 L1033 K1039 A1041 W1048 R1049 Y1052	I997-I1037 HydrophobicContact CD1-CG1 3.66Å; I997-I1037 HydrophobicContact CG1-CG1 4.43Å; L1033-I1037 HydrophobicContact CD1-CD1 4.04Å; L1033-I1037 HydrophobicContact CD1-CG1 4.32Å; L1033-I1037 HydrophobicContact CG-CD1 3.85Å; L1033-I1037 HydrophobicContact CG-CG1 4.48Å; L1033-I1037 WeakPolarHBondContact O-CB 3.49Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.31Å; L1033-I1037 PolarHBondContact O-N 3.33Å; I1037-K1039 PolarHBondContact O-N 3.42Å; I1037-A1041 HydrophobicContact CB-CB 4.48Å; I1037-A1041 HydrophobicContact CG2-CB 4.03Å; I1037-A1041 VanDerWaalsContact O-CB 3.25Å; I1037-A1041 WeakPolarHBondContact O-CB 3.39Å; I1037-A1041 PolarHBondContact O-N 3.34Å; I1037-A1041 VanDerWaalsContact O-N 3.08Å; I1037-W1048 HydrophobicContact CD1-CB 4.4Å; I1037-W1048 HydrophobicContact CD1-CE3 4.34Å; I1037-W1048 HydrophobicContact CG1-CB 4.3Å; I1037-W1048 HydrophobicContact CG1-CE3 4.29Å; I1037-W1048 HydrophobicContact CG2-CB 3.83Å; I1037-R1049 HydrophobicContact CG2-CG 4.17Å; I1037-Y1052 HydrophobicContact CD1-CD2 4.28Å; I1037-Y1052 HydrophobicContact CD1-CG 4.32Å
1038	T	87.6	Confident	85.5	Confident	82 Å²	82	51.5 Å²	51.5	50%	0.503	28%	0.276	S	S	.	.	H	α-helix	trans	-66.8	-16.9	179.3	-59.5	0	0	0	0	113.8	D1034 L1036 R1049	D1034-T1038 WeakPolarHBondContact O-CB 3.11Å; D1034-T1038 PolarHBondContact O-N 2.54Å; D1034-T1038 PolarHBondContact O-OG1 3.12Å; D1034-T1038 PolarHBondContact OD1-OG1 2.82Å; L1036-T1038 VanDerWaalsContact C-N 3.35Å; L1036-T1038 PolarHBondContact O-N 3.12Å; T1038-R1049 PolarHBondContact OG1-NH1 3.13Å; T1038-R1049 PolarHBondContact OG1-NH2 2.79Å
1039	K	87	Confident	85.6	Confident	154 Å²	154	55.5 Å²	55.5	67%	0.67	29%	0.285	S	S	*	.	H	α-helix	trans	-103	-35.4	-179.4	-172.6	-166.7	172.2	-154.7	0	113.8	R1035 L1036 I1037	R1035-K1039 WeakPolarHBondContact O-CB 3.25Å; R1035-K1039 PolarHBondContact O-N 3.06Å; R1035-K1039 VanDerWaalsContact O-N 3.11Å; L1036-K1039 PolarHBondContact O-N 2.86Å; L1036-K1039 VanDerWaalsContact O-N 3.08Å; I1037-K1039 PolarHBondContact O-N 3.42Å
1040	L	84.8	Confident	85.4	Confident	45 Å²	45	61.9 Å²	61.9	24%	0.236	31%	0.313	C	S	.	.	H	α-helix	trans	-118	-28.5	-166.2	-56.8	176.2	0	0	0	113.3	I997 T998 L1036 H1042	I997-L1040 HydrophobicContact CG2-CB 3.7Å; T998-L1040 HydrophobicContact CG2-CB 4.26Å; T998-L1040 HydrophobicContact CG2-CD1 4.19Å; L1036-L1040 HydrophobicContact CB-CD1 4.5Å; L1036-L1040 HydrophobicContact CD2-CD1 3.87Å; L1036-L1040 WeakPolarHBondContact O-CB 3.48Å; L1036-L1040 PolarHBondContact O-N 3.13Å; L1040-H1042 PolarHBondContact O-CD2 3.28Å; L1040-H1042 VanDerWaalsContact O-CD2 3.26Å; L1040-H1042 PolarHBondContact O-N 3.15Å; L1040-H1042 VanDerWaalsContact O-N 3.13Å
1041	A	76	Confident	85.3	Confident	26 Å²	26	62.6 Å²	62.6	22%	0.215	32%	0.318	C	S	.	.			trans	-77.8	103.9	-179.6	0	0	0	0	0	110.2	I997 I1037 W1048	I997-A1041 HydrophobicContact CG2-CB 3.92Å; I1037-A1041 HydrophobicContact CB-CB 4.48Å; I1037-A1041 HydrophobicContact CG2-CB 4.03Å; I1037-A1041 VanDerWaalsContact O-CB 3.25Å; I1037-A1041 WeakPolarHBondContact O-CB 3.39Å; I1037-A1041 PolarHBondContact O-N 3.34Å; I1037-A1041 VanDerWaalsContact O-N 3.08Å; A1041-W1048 HydrophobicContact CB-CB 3.82Å; A1041-W1048 HydrophobicContact CB-CG 3.74Å
1042	H	64.8	Low	85.5	Confident	161 Å²	161	61.9 Å²	61.9	75%	0.745	31%	0.314	S	S	*	.			trans	-97.7	0.5	178.3	-64.5	-57	0	0	0	117.8	L1040	L1040-H1042 PolarHBondContact O-CD2 3.28Å; L1040-H1042 VanDerWaalsContact O-CD2 3.26Å; L1040-H1042 PolarHBondContact O-N 3.15Å; L1040-H1042 VanDerWaalsContact O-N 3.13Å
1043	P	67.5	Low	85.4	Confident	40 Å²	40	65.4 Å²	65.4	26%	0.26	33%	0.33	S	S	.	.			trans	-71	134.9	-177.5	31.3	-34.9	0	0	0	111.3	A1001 D1045	A1001-P1043 WeakPolarHBondContact O-CG 3.42Å; P1043-D1045 PolarHBondContact O-N 3.08Å
1044	P	65.8	Low	85.4	Confident	143 Å²	143	68.4 Å²	68.4	93%	0.929	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-7.4	-172.6	30.4	-36.6	0	0	0	114.1	G1046	P1044-G1046 VanDerWaalsContact C-N 3.34Å
1045	D	80.4	Confident	85.5	Confident	78 Å²	78	67 Å²	67	42%	0.417	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.6	-177	78.6	-29.2	0	0	0	113.9	P1043 S1047 K1050	P1043-D1045 PolarHBondContact O-N 3.08Å; D1045-S1047 VanDerWaalsContact C-N 3.27Å; D1045-S1047 PolarHBondContact O-N 2.68Å; D1045-S1047 VanDerWaalsContact OD1-CB 3.28Å; D1045-S1047 WeakPolarHBondContact OD1-CB 3.13Å; D1045-S1047 PolarHBondContact OD1-N 2.82Å; D1045-S1047 PolarHBondContact OD1-OG 2.9Å; D1045-S1047 WeakPolarHBondContact OD2-CB 3.16Å; D1045-S1047 PolarHBondContact OD2-OG 3.4Å; D1045-K1050 PolarHBondContact O-NZ 3.45Å
1046	G	84	Confident	85.6	Confident	29 Å²	29	60.3 Å²	60.3	30%	0.299	32%	0.32	S	S	.	.			trans	69.3	16.2	-176.9	0	0	0	0	0	115	P1044 W1048 R1049 K1050	P1044-G1046 VanDerWaalsContact C-N 3.34Å; G1046-W1048 PolarHBondContact O-N 3.44Å; G1046-R1049 WeakPolarHBondContact O-CA 3.23Å; G1046-R1049 PolarHBondContact O-N 3.28Å; G1046-K1050 PolarHBondContact O-N 3.03Å
1047	S	90.2	Very high	85.5	Confident	9 Å²	9	63.6 Å²	63.6	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-45.9	-56.6	179.6	43.6	0	0	0	0	113.6	D1045 R1049 K1050 A1051	D1045-S1047 VanDerWaalsContact C-N 3.27Å; D1045-S1047 PolarHBondContact O-N 2.68Å; D1045-S1047 VanDerWaalsContact OD1-CB 3.28Å; D1045-S1047 WeakPolarHBondContact OD1-CB 3.13Å; D1045-S1047 PolarHBondContact OD1-N 2.82Å; D1045-S1047 PolarHBondContact OD1-OG 2.9Å; D1045-S1047 WeakPolarHBondContact OD2-CB 3.16Å; D1045-S1047 PolarHBondContact OD2-OG 3.4Å; S1047-R1049 PolarHBondContact O-N 3.32Å; S1047-K1050 WeakPolarHBondContact O-CA 3.39Å; S1047-K1050 WeakPolarHBondContact O-CB 3.42Å; S1047-K1050 PolarHBondContact O-N 3.16Å; S1047-A1051 PolarHBondContact O-N 2.93Å
1048	W	91.8	Very high	85.5	Confident	6 Å²	6	66 Å²	66	2%	0.023	35%	0.353	C	S	.	.	H	α-helix	trans	-57.8	-33	177.2	-72.9	95.4	0	0	0	113.8	W996 I997 E1000 P1003 I1037 A1041 G1046 Y1052	W996-W1048 AromaticContact CD2-CH2 3.71Å; W996-W1048 HydrophobicContact CD2-CH2 3.71Å; W996-W1048 AromaticContact CD2-CZ3 3.86Å; W996-W1048 HydrophobicContact CD2-CZ3 3.86Å; W996-W1048 AromaticContact CE2-CH2 3.69Å; W996-W1048 AromaticContact CE2-CZ3 3.9Å; W996-W1048 HydrophobicContact CE3-CH2 4.13Å; W996-W1048 AromaticContact CE3-CZ3 3.81Å; W996-W1048 HydrophobicContact CE3-CZ3 3.81Å; W996-W1048 HydrophobicContact CG-CH2 4.04Å; W996-W1048 HydrophobicContact CH2-CH2 4.49Å; W996-W1048 AromaticContact CH2-CZ3 3.88Å; W996-W1048 HydrophobicContact CH2-CZ3 3.88Å; W996-W1048 HydrophobicContact CZ2-CH2 4.07Å; W996-W1048 AromaticContact CZ2-CZ3 3.89Å; W996-W1048 HydrophobicContact CZ2-CZ3 3.89Å; W996-W1048 AromaticContact CZ3-CZ3 3.84Å; W996-W1048 HydrophobicContact CZ3-CZ3 3.84Å; I997-W1048 HydrophobicContact CB-CH2 4.33Å; I997-W1048 HydrophobicContact CB-CZ2 4.43Å; I997-W1048 HydrophobicContact CB-CZ3 4.49Å; I997-W1048 HydrophobicContact CD1-CZ3 4.47Å; I997-W1048 HydrophobicContact CG1-CD2 4.3Å; I997-W1048 HydrophobicContact CG1-CE3 3.79Å; I997-W1048 HydrophobicContact CG1-CH2 3.75Å; I997-W1048 HydrophobicContact CG1-CZ2 4.25Å; I997-W1048 HydrophobicContact CG1-CZ3 3.49Å; I997-W1048 VanDerWaalsContact CG1-CZ3 3.49Å; E1000-W1048 HydrophobicContact CB-CZ2 4.26Å; E1000-W1048 WeakPolarHBondContact O-CZ2 3.31Å; P1003-W1048 HydrophobicContact CB-CD2 4.09Å; P1003-W1048 HydrophobicContact CB-CE3 3.82Å; P1003-W1048 HydrophobicContact CB-CH2 3.86Å; P1003-W1048 HydrophobicContact CB-CZ2 4.11Å; P1003-W1048 HydrophobicContact CB-CZ3 3.71Å; P1003-W1048 HydrophobicContact CG-CD2 4.02Å; P1003-W1048 HydrophobicContact CG-CE3 4.1Å; P1003-W1048 HydrophobicContact CG-CG 4.37Å; P1003-W1048 HydrophobicContact CG-CZ3 4.48Å; I1037-W1048 HydrophobicContact CD1-CB 4.4Å; I1037-W1048 HydrophobicContact CD1-CE3 4.34Å; I1037-W1048 HydrophobicContact CG1-CB 4.3Å; I1037-W1048 HydrophobicContact CG1-CE3 4.29Å; I1037-W1048 HydrophobicContact CG2-CB 3.83Å; A1041-W1048 HydrophobicContact CB-CB 3.82Å; A1041-W1048 HydrophobicContact CB-CG 3.74Å; G1046-W1048 PolarHBondContact O-N 3.44Å; W1048-Y1052 WeakPolarHBondContact O-CB 3.5Å; W1048-Y1052 PolarHBondContact O-N 2.69Å
1049	R	90.3	Very high	85.6	Confident	126 Å²	126	62 Å²	62	48%	0.475	33%	0.329	S	S	.	.	H	α-helix	trans	-74.3	-33.1	174.2	-70.4	-162.7	178.7	-74.9	-4.2	112.7	D1034 I1037 T1038 G1046 S1047 Q1053	D1034-R1049 IonicContact OD1-NH1 2.68Å; I1037-R1049 HydrophobicContact CG2-CG 4.17Å; T1038-R1049 PolarHBondContact OG1-NH1 3.13Å; T1038-R1049 PolarHBondContact OG1-NH2 2.79Å; G1046-R1049 WeakPolarHBondContact O-CA 3.23Å; G1046-R1049 PolarHBondContact O-N 3.28Å; S1047-R1049 PolarHBondContact O-N 3.32Å; R1049-Q1053 WeakPolarHBondContact O-CB 3.31Å; R1049-Q1053 PolarHBondContact O-N 2.86Å
1050	K	90.1	Very high	85.6	Confident	135 Å²	135	55.7 Å²	55.7	59%	0.587	30%	0.303	S	S	*	.	H	α-helix	trans	-65.8	-45.8	172.3	-66.3	161	178.1	157.8	0	110.8	D1045 G1046 S1047 Q1053 S1054	D1045-K1050 PolarHBondContact O-NZ 3.45Å; G1046-K1050 PolarHBondContact O-N 3.03Å; S1047-K1050 WeakPolarHBondContact O-CA 3.39Å; S1047-K1050 WeakPolarHBondContact O-CB 3.42Å; S1047-K1050 PolarHBondContact O-N 3.16Å; K1050-Q1053 PolarHBondContact O-N 2.93Å; K1050-S1054 PolarHBondContact O-N 2.83Å
1051	A	91.7	Very high	85.6	Confident	15 Å²	15	58.7 Å²	58.7	12%	0.124	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-48.5	174.8	0	0	0	0	0	111.9	P1003 V1008 S1047 Q1053 S1054 I1055	P1003-A1051 HydrophobicContact CB-CB 4.15Å; P1003-A1051 HydrophobicContact CG-CB 3.57Å; V1008-A1051 HydrophobicContact CG2-CB 3.91Å; S1047-A1051 PolarHBondContact O-N 2.93Å; A1051-Q1053 VanDerWaalsContact C-N 3.32Å; A1051-Q1053 PolarHBondContact O-N 2.85Å; A1051-S1054 WeakPolarHBondContact O-CB 3.11Å; A1051-S1054 PolarHBondContact O-N 2.95Å; A1051-S1054 VanDerWaalsContact O-N 3.11Å; A1051-I1055 WeakPolarHBondContact O-CG1 3.29Å; A1051-I1055 PolarHBondContact O-N 2.69Å
1052	Y	93.5	Very high	86.1	Confident	15 Å²	15	59 Å²	59	6%	0.059	32%	0.317	C	S	.	.	H	α-helix	trans	-58.2	-41.4	175.1	-178.3	-105	0	0	0	113	L1030 L1033 D1034 I1037 W1048 I1055 L1056	L1030-Y1052 HydrophobicContact CB-CE2 4.47Å; L1030-Y1052 HydrophobicContact CD2-CE2 3.99Å; L1030-Y1052 PolarHBondContact O-OH 3.14Å; L1033-Y1052 HydrophobicContact CB-CD2 4.49Å; L1033-Y1052 HydrophobicContact CB-CE2 4.35Å; L1033-Y1052 HydrophobicContact CD2-CD2 3.82Å; L1033-Y1052 HydrophobicContact CD2-CE2 4.27Å; L1033-Y1052 HydrophobicContact CG-CD2 4.05Å; L1033-Y1052 HydrophobicContact CG-CE2 4.4Å; D1034-Y1052 HydrophobicContact CB-CE1 4.13Å; D1034-Y1052 HydrophobicContact CB-CE2 4.07Å; I1037-Y1052 HydrophobicContact CD1-CD2 4.28Å; I1037-Y1052 HydrophobicContact CD1-CG 4.32Å; W1048-Y1052 WeakPolarHBondContact O-CB 3.5Å; W1048-Y1052 PolarHBondContact O-N 2.69Å; Y1052-I1055 PolarHBondContact O-N 3.03Å; Y1052-L1056 HydrophobicContact CD1-CD1 3.99Å; Y1052-L1056 HydrophobicContact CD1-CG 4.38Å; Y1052-L1056 HydrophobicContact CE1-CD1 3.44Å; Y1052-L1056 VanDerWaalsContact CE1-CD1 3.44Å; Y1052-L1056 HydrophobicContact CE1-CG 3.98Å; Y1052-L1056 WeakPolarHBondContact O-CG 3.34Å; Y1052-L1056 PolarHBondContact O-N 3.47Å
1053	Q	90.8	Very high	87	Confident	90 Å²	90	52 Å²	52	42%	0.421	28%	0.284	S	S	.	.	H	α-helix	trans	-64.4	-40.7	175.4	-174.1	57.4	50.5	0	0	111.4	R1049 K1050 A1051 I1055 L1056 D1057	R1049-Q1053 WeakPolarHBondContact O-CB 3.31Å; R1049-Q1053 PolarHBondContact O-N 2.86Å; K1050-Q1053 PolarHBondContact O-N 2.93Å; A1051-Q1053 VanDerWaalsContact C-N 3.32Å; A1051-Q1053 PolarHBondContact O-N 2.85Å; Q1053-I1055 PolarHBondContact O-N 2.85Å; Q1053-L1056 WeakPolarHBondContact O-CB 3.5Å; Q1053-L1056 PolarHBondContact O-N 2.9Å; Q1053-L1056 VanDerWaalsContact O-N 3.13Å; Q1053-D1057 WeakPolarHBondContact CG-OD2 3.37Å; Q1053-D1057 PolarHBondContact NE2-OD1 3.2Å; Q1053-D1057 PolarHBondContact NE2-OD2 2.73Å; Q1053-D1057 PolarHBondContact O-N 2.77Å
1054	S	92.4	Very high	87.7	Confident	65 Å²	65	53.1 Å²	53.1	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-63.2	-39.3	176	-159.6	0	0	0	0	112.7	K1050 A1051 L1056 D1057 T1058	K1050-S1054 PolarHBondContact O-N 2.83Å; A1051-S1054 WeakPolarHBondContact O-CB 3.11Å; A1051-S1054 PolarHBondContact O-N 2.95Å; A1051-S1054 VanDerWaalsContact O-N 3.11Å; S1054-L1056 VanDerWaalsContact C-N 3.34Å; S1054-D1057 PolarHBondContact O-N 3.06Å; S1054-T1058 PolarHBondContact O-N 3.23Å; S1054-T1058 VanDerWaalsContact O-N 3.09Å; S1054-T1058 PolarHBondContact O-OG1 3.41Å; S1054-T1058 VanDerWaalsContact O-OG1 3.12Å
1055	I	93.8	Very high	88.5	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-60.9	-44.6	172.4	-61.7	166.1	0	0	0	110	V1008 L1011 L1015 L1030 L1033 A1051 Y1052 Q1053 L1059	V1008-I1055 HydrophobicContact CG1-CD1 4.24Å; V1008-I1055 HydrophobicContact CG1-CG1 3.91Å; L1011-I1055 HydrophobicContact CD2-CD1 4.25Å; L1015-I1055 HydrophobicContact CD1-CG2 3.93Å; L1030-I1055 HydrophobicContact CD2-CG2 3.97Å; L1033-I1055 HydrophobicContact CD2-CD1 3.93Å; A1051-I1055 WeakPolarHBondContact O-CG1 3.29Å; A1051-I1055 PolarHBondContact O-N 2.69Å; Y1052-I1055 PolarHBondContact O-N 3.03Å; Q1053-I1055 PolarHBondContact O-N 2.85Å; I1055-L1059 HydrophobicContact CG2-CD1 3.78Å; I1055-L1059 HydrophobicContact CG2-CG 4.48Å; I1055-L1059 WeakPolarHBondContact O-CB 3.4Å; I1055-L1059 VanDerWaalsContact O-CG 3.23Å; I1055-L1059 WeakPolarHBondContact O-CG 3.15Å; I1055-L1059 PolarHBondContact O-N 3.29Å; I1055-L1059 VanDerWaalsContact O-N 3.11Å
1056	L	92.6	Very high	88.5	Confident	26 Å²	26	55.3 Å²	55.3	14%	0.136	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-39.6	178.3	-74.8	-176	0	0	0	113.2	L1030 Y1052 Q1053 S1054 T1060 L1074	L1030-L1056 HydrophobicContact CD1-CD2 3.82Å; L1030-L1056 HydrophobicContact CD2-CD2 4.14Å; L1030-L1056 HydrophobicContact CG-CD2 4.49Å; Y1052-L1056 HydrophobicContact CD1-CD1 3.99Å; Y1052-L1056 HydrophobicContact CD1-CG 4.38Å; Y1052-L1056 HydrophobicContact CE1-CD1 3.44Å; Y1052-L1056 VanDerWaalsContact CE1-CD1 3.44Å; Y1052-L1056 HydrophobicContact CE1-CG 3.98Å; Y1052-L1056 WeakPolarHBondContact O-CG 3.34Å; Y1052-L1056 PolarHBondContact O-N 3.47Å; Q1053-L1056 WeakPolarHBondContact O-CB 3.5Å; Q1053-L1056 PolarHBondContact O-N 2.9Å; Q1053-L1056 VanDerWaalsContact O-N 3.13Å; S1054-L1056 VanDerWaalsContact C-N 3.34Å; L1056-T1060 WeakPolarHBondContact O-CB 3.46Å; L1056-T1060 PolarHBondContact O-N 3.18Å; L1056-T1060 PolarHBondContact O-OG1 2.79Å; L1056-L1074 HydrophobicContact CD2-CD1 3.61Å
1057	D	89.5	Confident	88.3	Confident	81 Å²	81	57.9 Å²	57.9	43%	0.433	28%	0.28	S	S	.	.	H	α-helix	trans	-71	-46.8	-177.8	-70	-32	0	0	0	110.9	Q1053 S1054 L1059 T1060 E1061	Q1053-D1057 WeakPolarHBondContact CG-OD2 3.37Å; Q1053-D1057 PolarHBondContact NE2-OD1 3.2Å; Q1053-D1057 PolarHBondContact NE2-OD2 2.73Å; Q1053-D1057 PolarHBondContact O-N 2.77Å; S1054-D1057 PolarHBondContact O-N 3.06Å; D1057-L1059 PolarHBondContact O-N 3.09Å; D1057-T1060 CarbonylContact O-C 3.56Å; D1057-T1060 WeakPolarHBondContact O-CA 3.48Å; D1057-T1060 WeakPolarHBondContact O-CB 3.38Å; D1057-T1060 PolarHBondContact O-N 3.26Å; D1057-T1060 VanDerWaalsContact O-N 3.09Å; D1057-E1061 PolarHBondContact O-N 3.1Å
1058	T	90.3	Very high	87.1	Confident	57 Å²	57	63.1 Å²	63.1	35%	0.35	32%	0.317	S	S	.	.	H	α-helix	trans	-58.4	-47.6	174.6	-56.4	0	0	0	0	111.9	T1012 S1054 T1060 E1061 S1062	T1012-T1058 HydrophobicContact CG2-CG2 3.6Å; S1054-T1058 PolarHBondContact O-N 3.23Å; S1054-T1058 VanDerWaalsContact O-N 3.09Å; S1054-T1058 PolarHBondContact O-OG1 3.41Å; S1054-T1058 VanDerWaalsContact O-OG1 3.12Å; T1058-T1060 VanDerWaalsContact C-N 3.27Å; T1058-T1060 PolarHBondContact O-N 3.14Å; T1058-E1061 WeakPolarHBondContact O-CB 3.32Å; T1058-E1061 PolarHBondContact O-N 3.05Å; T1058-E1061 VanDerWaalsContact O-N 3.12Å; T1058-S1062 PolarHBondContact O-N 2.85Å; T1058-S1062 PolarHBondContact O-OG 3.17Å
1059	L	90.3	Very high	85.5	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64.9	-31.6	176.4	-69.1	172.2	0	0	0	112.5	L1015 V1019 I1026 L1030 I1055 D1057 I1063	L1015-L1059 HydrophobicContact CB-CD1 3.81Å; L1015-L1059 HydrophobicContact CB-CD2 3.74Å; L1015-L1059 HydrophobicContact CB-CG 4.36Å; L1015-L1059 HydrophobicContact CD1-CD1 3.93Å; L1015-L1059 HydrophobicContact CG-CD1 4.48Å; V1019-L1059 HydrophobicContact CG2-CD2 4.14Å; I1026-L1059 HydrophobicContact CG2-CD1 4.25Å; L1030-L1059 HydrophobicContact CD1-CD1 3.99Å; L1030-L1059 HydrophobicContact CD2-CD1 4.27Å; I1055-L1059 HydrophobicContact CG2-CD1 3.78Å; I1055-L1059 HydrophobicContact CG2-CG 4.48Å; I1055-L1059 WeakPolarHBondContact O-CB 3.4Å; I1055-L1059 VanDerWaalsContact O-CG 3.23Å; I1055-L1059 WeakPolarHBondContact O-CG 3.15Å; I1055-L1059 PolarHBondContact O-N 3.29Å; I1055-L1059 VanDerWaalsContact O-N 3.11Å; D1057-L1059 PolarHBondContact O-N 3.09Å; L1059-I1063 VanDerWaalsContact O-CB 3.3Å; L1059-I1063 WeakPolarHBondContact O-CB 3.48Å; L1059-I1063 WeakPolarHBondContact O-CD1 3.43Å; L1059-I1063 WeakPolarHBondContact O-CG1 3.22Å; L1059-I1063 PolarHBondContact O-N 2.9Å
1060	T	86.2	Confident	83.9	Confident	21 Å²	21	66.5 Å²	66.5	13%	0.129	35%	0.348	C	S	.	.	H	α-helix	trans	-69	-35.5	174.3	-64.3	0	0	0	0	111	L1056 D1057 T1058 K1064	L1056-T1060 WeakPolarHBondContact O-CB 3.46Å; L1056-T1060 PolarHBondContact O-N 3.18Å; L1056-T1060 PolarHBondContact O-OG1 2.79Å; D1057-T1060 CarbonylContact O-C 3.56Å; D1057-T1060 WeakPolarHBondContact O-CA 3.48Å; D1057-T1060 WeakPolarHBondContact O-CB 3.38Å; D1057-T1060 PolarHBondContact O-N 3.26Å; D1057-T1060 VanDerWaalsContact O-N 3.09Å; T1058-T1060 VanDerWaalsContact C-N 3.27Å; T1058-T1060 PolarHBondContact O-N 3.14Å; T1060-K1064 HydrophobicContact CG2-CD 4.35Å; T1060-K1064 HydrophobicContact CG2-CG 4.43Å; T1060-K1064 WeakPolarHBondContact O-CB 3.4Å; T1060-K1064 WeakPolarHBondContact O-CD 3.32Å; T1060-K1064 WeakPolarHBondContact O-CG 3.46Å; T1060-K1064 PolarHBondContact O-N 3.07Å
1061	E	85.6	Confident	82.5	Confident	107 Å²	107	64.7 Å²	64.7	50%	0.5	35%	0.345	S	S	.	.	H	α-helix	trans	-63.6	-52.8	172.5	-134.3	59.4	-142.2	0	0	111.7	D1057 T1058 I1063 K1064 E1065	D1057-E1061 PolarHBondContact O-N 3.1Å; T1058-E1061 WeakPolarHBondContact O-CB 3.32Å; T1058-E1061 PolarHBondContact O-N 3.05Å; T1058-E1061 VanDerWaalsContact O-N 3.12Å; E1061-I1063 PolarHBondContact O-N 2.89Å; E1061-K1064 WeakPolarHBondContact O-CB 3.5Å; E1061-K1064 PolarHBondContact O-N 2.94Å; E1061-K1064 VanDerWaalsContact O-N 3.14Å; E1061-K1064 IonicContact OE1-NZ 3.91Å; E1061-K1064 PolarHBondContact OE1-NZ 3.1Å; E1061-K1064 VanDerWaalsContact OE1-NZ 3.08Å; E1061-K1064 IonicContact OE2-NZ 3.89Å; E1061-K1064 PolarHBondContact OE2-NZ 3.23Å; E1061-E1065 WeakPolarHBondContact O-CB 3.4Å; E1061-E1065 PolarHBondContact O-N 3.12Å
1062	S	85.6	Confident	80.8	Confident	34 Å²	34	66.7 Å²	66.7	24%	0.238	35%	0.353	C	S	.	.	H	α-helix	trans	-58.7	-34.8	177.6	-48.4	0	0	0	0	113	T1058 K1066	T1058-S1062 PolarHBondContact O-N 2.85Å; T1058-S1062 PolarHBondContact O-OG 3.17Å; S1062-K1066 WeakPolarHBondContact O-CB 3.47Å; S1062-K1066 PolarHBondContact O-N 3.21Å; S1062-K1066 VanDerWaalsContact O-N 3.15Å
1063	I	84.1	Confident	79	Confident	12 Å²	12	73 Å²	73	6%	0.062	38%	0.381	C	S	.	.	H	α-helix	trans	-76.5	-39.6	177.2	-70.2	170.1	0	0	0	111.6	V1019 L1059 E1061 E1065 Y1067 L1072	V1019-I1063 HydrophobicContact CG1-CG1 3.71Å; V1019-I1063 HydrophobicContact CG2-CD1 4.41Å; V1019-I1063 HydrophobicContact CG2-CG1 4.04Å; L1059-I1063 VanDerWaalsContact O-CB 3.3Å; L1059-I1063 WeakPolarHBondContact O-CB 3.48Å; L1059-I1063 WeakPolarHBondContact O-CD1 3.43Å; L1059-I1063 WeakPolarHBondContact O-CG1 3.22Å; L1059-I1063 PolarHBondContact O-N 2.9Å; E1061-I1063 PolarHBondContact O-N 2.89Å; I1063-E1065 VanDerWaalsContact C-N 3.34Å; I1063-E1065 PolarHBondContact O-N 3.45Å; I1063-Y1067 HydrophobicContact CG2-CD2 4.13Å; I1063-Y1067 WeakPolarHBondContact O-CA 3.38Å; I1063-Y1067 VanDerWaalsContact O-CB 3.31Å; I1063-Y1067 WeakPolarHBondContact O-CB 3.48Å; I1063-Y1067 PolarHBondContact O-N 3.09Å; I1063-L1072 HydrophobicContact CD1-CB 4.26Å; I1063-L1072 HydrophobicContact CD1-CD1 3.99Å; I1063-L1072 HydrophobicContact CD1-CD2 4.01Å; I1063-L1072 HydrophobicContact CD1-CG 4.29Å
1064	K	82.5	Confident	77.1	Confident	65 Å²	65	70.4 Å²	70.4	28%	0.283	37%	0.369	S	S	.	.	H	α-helix	trans	-58.3	-47.3	172.9	-76.6	161.1	178.8	165.8	0	110.9	T1060 E1061 S1068 G1069	T1060-K1064 HydrophobicContact CG2-CD 4.35Å; T1060-K1064 HydrophobicContact CG2-CG 4.43Å; T1060-K1064 WeakPolarHBondContact O-CB 3.4Å; T1060-K1064 WeakPolarHBondContact O-CD 3.32Å; T1060-K1064 WeakPolarHBondContact O-CG 3.46Å; T1060-K1064 PolarHBondContact O-N 3.07Å; E1061-K1064 WeakPolarHBondContact O-CB 3.5Å; E1061-K1064 PolarHBondContact O-N 2.94Å; E1061-K1064 VanDerWaalsContact O-N 3.14Å; E1061-K1064 IonicContact OE1-NZ 3.91Å; E1061-K1064 PolarHBondContact OE1-NZ 3.1Å; E1061-K1064 VanDerWaalsContact OE1-NZ 3.08Å; E1061-K1064 IonicContact OE2-NZ 3.89Å; E1061-K1064 PolarHBondContact OE2-NZ 3.23Å; K1064-S1068 PolarHBondContact O-N 3.48Å; K1064-G1069 PolarHBondContact O-N 3.15Å
1065	E	83.6	Confident	74.6	Confident	167 Å²	167	77.6 Å²	77.6	78%	0.78	39%	0.386	S	S	*	.	H	α-helix	trans	-60.2	-56.6	-178.7	-176.1	-179.9	-164	0	0	110.4	E1061 I1063	E1061-E1065 WeakPolarHBondContact O-CB 3.4Å; E1061-E1065 PolarHBondContact O-N 3.12Å; I1063-E1065 VanDerWaalsContact C-N 3.34Å; I1063-E1065 PolarHBondContact O-N 3.45Å
1066	K	80	Confident	71.9	Confident	100 Å²	100	80.9 Å²	80.9	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-68.9	-37.6	-177.5	-173.7	166.2	-168	179.2	0	113.9	N1020 S1062	N1020-K1066 VanDerWaalsContact OD1-CD 3.27Å; N1020-K1066 WeakPolarHBondContact OD1-CD 3.36Å; N1020-K1066 WeakPolarHBondContact OD1-CE 3.4Å; N1020-K1066 PolarHBondContact OD1-NZ 3.33Å; S1062-K1066 WeakPolarHBondContact O-CB 3.47Å; S1062-K1066 PolarHBondContact O-N 3.21Å; S1062-K1066 VanDerWaalsContact O-N 3.15Å
1067	Y	78.5	Confident	68.8	Low	82 Å²	82	84.5 Å²	84.5	32%	0.322	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	27	-172.5	-63	-83.7	0	0	0	113.4	V1019 I1063 G1069 F1070	V1019-Y1067 HydrophobicContact CG1-CE2 4.16Å; V1019-Y1067 PolarHBondContact O-OH 3.44Å; I1063-Y1067 HydrophobicContact CG2-CD2 4.13Å; I1063-Y1067 WeakPolarHBondContact O-CA 3.38Å; I1063-Y1067 VanDerWaalsContact O-CB 3.31Å; I1063-Y1067 WeakPolarHBondContact O-CB 3.48Å; I1063-Y1067 PolarHBondContact O-N 3.09Å; Y1067-G1069 VanDerWaalsContact C-N 3.35Å; Y1067-G1069 PolarHBondContact O-N 3.07Å; Y1067-F1070 WeakPolarHBondContact O-CD2 3.35Å; Y1067-F1070 PolarHBondContact O-N 3.19Å
1068	S	65.7	Low	65.8	Low	119 Å²	119	93.6 Å²	93.6	83%	0.832	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	44.1	168	-48.6	0	0	0	0	114.5	K1064	K1064-S1068 PolarHBondContact O-N 3.48Å
1069	G	57.5	Low	64.5	Low	43 Å²	43	95.4 Å²	95.4	44%	0.443	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	93	6.2	173	0	0	0	0	0	116.9	K1064 Y1067 N1071	K1064-G1069 PolarHBondContact O-N 3.15Å; Y1067-G1069 VanDerWaalsContact C-N 3.35Å; Y1067-G1069 PolarHBondContact O-N 3.07Å; G1069-N1071 PolarHBondContact O-N 3.05Å; G1069-N1071 VanDerWaalsContact O-N 3.11Å; G1069-N1071 PolarHBondContact O-ND2 2.88Å
1070	F	58.1	Low	63.2	Low	161 Å²	161	100.4 Å²	100.4	71%	0.706	51%	0.509	S	S	*	.			trans	-65.5	110	166	-75	-63.9	0	0	0	110.5	Y1067	Y1067-F1070 WeakPolarHBondContact O-CD2 3.35Å; Y1067-F1070 PolarHBondContact O-N 3.19Å
1071	N	59.4	Low	61.9	Low	97 Å²	97	104.8 Å²	104.8	52%	0.519	53%	0.53	S	S	.	.			trans	-74.5	138.2	175.1	-76.8	-102.2	0	0	0	110.7	G1069 K1073	G1069-N1071 PolarHBondContact O-N 3.05Å; G1069-N1071 VanDerWaalsContact O-N 3.11Å; G1069-N1071 PolarHBondContact O-ND2 2.88Å; N1071-K1073 VanDerWaalsContact C-N 3.29Å; N1071-K1073 PolarHBondContact O-N 2.95Å
1072	L	56.7	Low	60.5	Low	57 Å²	57	104.7 Å²	104.7	30%	0.298	53%	0.532	S	S	.	.			trans	-69.9	79	177.8	-176.3	66.8	0	0	0	111.5	L1030 I1063 L1074	L1030-L1072 HydrophobicContact CD1-CD2 4.44Å; I1063-L1072 HydrophobicContact CD1-CB 4.26Å; I1063-L1072 HydrophobicContact CD1-CD1 3.99Å; I1063-L1072 HydrophobicContact CD1-CD2 4.01Å; I1063-L1072 HydrophobicContact CD1-CG 4.29Å; L1072-L1074 HydrophobicContact CD2-CD1 4.12Å; L1072-L1074 HydrophobicContact CD2-CG 4.35Å; L1072-L1074 HydrophobicContact CG-CD1 4.47Å; L1072-L1074 HydrophobicContact CG-CG 4.19Å; L1072-L1074 PolarHBondContact O-N 3.21Å
1073	K	55.9	Low	58.9	Low	148 Å²	148	109.1 Å²	109.1	64%	0.643	55%	0.55	S	S	*	*			trans	-76.4	77.5	171.2	-74.6	-167.3	174	-175.1	0	111.1	N1071 R1075	N1071-K1073 VanDerWaalsContact C-N 3.29Å; N1071-K1073 PolarHBondContact O-N 2.95Å; K1073-R1075 VanDerWaalsContact C-N 3.35Å; K1073-R1075 PolarHBondContact O-N 2.75Å
1074	L	50.1	Low	57.2	Low	34 Å²	34	115.6 Å²	115.6	18%	0.178	58%	0.583	C	S	.	*			trans	-57.3	97.7	161.4	-85.9	166.8	0	0	0	109.5	R1027 L1030 L1056 L1072 L1076	R1027-L1074 HydrophobicContact CG-CD2 4.09Å; L1030-L1074 HydrophobicContact CB-CD1 4.21Å; L1030-L1074 HydrophobicContact CD1-CD1 3.8Å; L1056-L1074 HydrophobicContact CD2-CD1 3.61Å; L1072-L1074 HydrophobicContact CD2-CD1 4.12Å; L1072-L1074 HydrophobicContact CD2-CG 4.35Å; L1072-L1074 HydrophobicContact CG-CD1 4.47Å; L1072-L1074 HydrophobicContact CG-CG 4.19Å; L1072-L1074 PolarHBondContact O-N 3.21Å; L1074-L1076 PolarHBondContact O-N 3.43Å
1075	R	40.4	Very low	55.4	Low	217 Å²	217	119.2 Å²	119.2	82%	0.819	60%	0.604	S	S	*	*			trans	-69.4	74.6	161	-69.8	-175.9	179.2	168.1	-0.1	109.5	K1073	K1073-R1075 VanDerWaalsContact C-N 3.35Å; K1073-R1075 PolarHBondContact O-N 2.75Å
1076	L	37.2	Very low	53.3	Low	71 Å²	71	115.5 Å²	115.5	37%	0.372	59%	0.591	S	S	.	*			trans	-66	155.3	144.4	-68.6	162.7	0	0	0	107.5	I1031 L1074	I1031-L1076 HydrophobicContact CG1-CD2 3.9Å; L1074-L1076 PolarHBondContact O-N 3.43Å
1077	A	28.1	Very low	51.1	Low	102 Å²	102	116.8 Å²	116.8	84%	0.843	60%	0.603	S	S	*	*			trans	-88.3	142.8	-156.9	0	0	0	0	0	114.8
1078	E	25	Very low	48.6	Very low	271 Å²	271	120 Å²	120	100%	1.266	63%	0.629	S	S	*	*			trans	-84.9	0	140	-68.8	-173.8	141.9	0	0	109.3

Retrieved 1,078 of 1,078 residues in 1286.3 ms (Link to these results)

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