A0A5K4FED2_SCHMA Loading...

NFRKB_winged domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FED2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 877 aa.

						>A0A5K4FED2_SCHMA|A0A5K4FED2
MKAEEFCILLEERRKALADIIFSKFGKDMENKQNSRNEACAAQNNFLDVDAEVENQIKSIAAYRYERLISDIELQVKGPKLPGIDDKETKIGIDKMIPLYLKRQSNINKDSNSEKNREKLCRLLETARSQKSSRNTIIKKLKGSASRKIRPAVSQGFTKHIRRVQCFNGKSEKSPVDHWPSSENGFFCLLRGFLTHGGVRRRLTTAQICEHVREWQACNQNRLRKVGRGCSWIDRVEDWSSVTHHALDFLTAESSPESVIRNSSRRLVCPRPFVNLKPRIHQWCWLLYPPSGINPKVDQEWIQKFELETRELTSLFSDWLRAPRGLGGLTDAVLSISDSLLVSGRNKVKPNKNTNPSIKEKQYSEESDGDGGVEDSEIDEGERCLRIDECQAESDDGDKKSGDIQKIRRNVSSKHSQQSIFHEDNRLYSDDDIPPPLYPTRWKLRPFSEEEKADFQLQEAERFSHPWSPFVYHIQNYCAVVGPLRSAPSPLSHDLVLYNSGRNWSSHSKARDHPLLRLDRPMFVSLAEIVRDAVACLPNGEGTRADITTLVQNSGFLLPNVNPRQLQQCVSSALDRLQGETSDPSVYFNNNRRMWIYRHRRRTFEKFAELHEARCAVNETKKIIQRGGSTSVLNINKTVKPTNQLIPDKYSEYSSKQSNLRHNSSKFSGRYHNHHHSGRHIQSGYISRDYGYMELNRNYSFIDDDHIPDIEELEAADEVNMMEYNCTSANYSMDSNNVKGHIGAVVDNTDYDDGNEMDEVEYENEILGAWDDDNSTDRIINHPTGQQQRGNQQFNKIPRYLDPFQSRSPTSFILPSNNYSQSTISNYKQSRLNDSNYSSNSKRIHKNYTTAAADDDDDDVEIGNYIIDSEEMNEEYF
					

Structure Viewer

Loading PAE data...

(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	41.2	Very low	48.2	Very low	187 Å²	187	102.9 Å²	102.9	92%	0.921	52%	0.524	S	S	*	.				0	133.1	0	-100	177.6	-83.9	0	0	110.7	E5	M1-E5 WeakPolarHBondContact CA-OE2 3.49Å; M1-E5 HydrophobicContact CG-CB 4.23Å
2	K	45.1	Very low	49.3	Very low	138 Å²	138	103.8 Å²	103.8	60%	0.6	52%	0.524	S	S	*	.			trans	-78.8	158.5	163.4	-64.6	171.5	-172.2	159.6	0	109.9	E4 E5 F6	K2-E4 PolarHBondContact O-N 3.24Å; K2-E5 HydrophobicContact CB-CG 4.29Å; K2-E5 WeakPolarHBondContact CD-OE1 3.44Å; K2-E5 PolarHBondContact N-OE2 3.3Å; K2-E5 PolarHBondContact O-N 3.38Å; K2-F6 PolarHBondContact O-N 3.5Å
3	A	39.5	Very low	50	Low	61 Å²	61	109.9 Å²	109.9	50%	0.504	54%	0.537	S	S	.	.	H	α-helix	trans	-61	-29.6	178.3	0	0	0	0	0	112.8	C7	A3-C7 PolarHBondContact O-N 2.73Å; A3-C7 PolarHBondContact O-SG 2.97Å
4	E	45.9	Very low	50.6	Low	145 Å²	145	113.4 Å²	113.4	68%	0.678	54%	0.541	S	S	*	.	H	α-helix	trans	-69.8	-41.9	177.6	-67	164.5	140.4	0	0	112	K2 F6 C7 I8	K2-E4 PolarHBondContact O-N 3.24Å; E4-F6 VanDerWaalsContact C-N 3.34Å; E4-F6 PolarHBondContact O-N 3.4Å; E4-C7 WeakPolarHBondContact O-CB 3.49Å; E4-C7 PolarHBondContact O-N 3.47Å; E4-C7 VanDerWaalsContact O-N 3.16Å; E4-I8 WeakPolarHBondContact O-CG1 3.4Å; E4-I8 PolarHBondContact O-N 2.89Å
5	E	50.1	Low	51.5	Low	84 Å²	84	114.6 Å²	114.6	39%	0.393	54%	0.543	S	S	.	.	H	α-helix	trans	-60.1	-43.9	175	-66	155.5	-161.4	0	0	111	M1 K2 C7 I8 L9	M1-E5 WeakPolarHBondContact CA-OE2 3.49Å; M1-E5 HydrophobicContact CG-CB 4.23Å; K2-E5 HydrophobicContact CB-CG 4.29Å; K2-E5 WeakPolarHBondContact CD-OE1 3.44Å; K2-E5 PolarHBondContact N-OE2 3.3Å; K2-E5 PolarHBondContact O-N 3.38Å; E5-C7 PolarHBondContact O-N 2.92Å; E5-I8 PolarHBondContact O-N 3.24Å; E5-L9 PolarHBondContact O-N 2.8Å
6	F	43	Very low	51.9	Low	111 Å²	111	110.4 Å²	110.4	49%	0.487	53%	0.534	S	S	.	.	H	α-helix	trans	-67	-33.7	176	-173.4	-106.4	0	0	0	112.9	K2 E4 L10	K2-F6 PolarHBondContact O-N 3.5Å; E4-F6 VanDerWaalsContact C-N 3.34Å; E4-F6 PolarHBondContact O-N 3.4Å; F6-L10 HydrophobicContact CD1-CD1 3.87Å; F6-L10 HydrophobicContact CE1-CD1 3.48Å; F6-L10 VanDerWaalsContact CE1-CD1 3.48Å; F6-L10 HydrophobicContact CE1-CG 4.24Å; F6-L10 HydrophobicContact CZ-CD1 3.98Å; F6-L10 HydrophobicContact CZ-CG 4.34Å; F6-L10 WeakPolarHBondContact O-CB 3.35Å; F6-L10 WeakPolarHBondContact O-CG 3.47Å; F6-L10 PolarHBondContact O-N 3.45Å; F6-L10 VanDerWaalsContact O-N 3.12Å
7	C	45.6	Very low	51.8	Low	62 Å²	62	109.7 Å²	109.7	42%	0.419	53%	0.533	S	S	.	.	H	α-helix	trans	-67.7	-40.1	172.7	-69.8	0	0	0	0	112.2	A3 E4 E5 L10 E11	A3-C7 PolarHBondContact O-N 2.73Å; A3-C7 PolarHBondContact O-SG 2.97Å; E4-C7 WeakPolarHBondContact O-CB 3.49Å; E4-C7 PolarHBondContact O-N 3.47Å; E4-C7 VanDerWaalsContact O-N 3.16Å; E5-C7 PolarHBondContact O-N 2.92Å; C7-L10 PolarHBondContact O-N 2.88Å; C7-E11 WeakPolarHBondContact O-CB 3.37Å; C7-E11 PolarHBondContact O-N 3.07Å
8	I	59	Low	52.1	Low	100 Å²	100	105.6 Å²	105.6	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-62	-50.6	175.8	-68.1	162.9	0	0	0	110	E4 E5 L10 E11 E12	E4-I8 WeakPolarHBondContact O-CG1 3.4Å; E4-I8 PolarHBondContact O-N 2.89Å; E5-I8 PolarHBondContact O-N 3.24Å; I8-L10 VanDerWaalsContact C-N 3.3Å; I8-L10 PolarHBondContact O-N 3.37Å; I8-E11 PolarHBondContact O-N 3.19Å; I8-E12 HydrophobicContact CG2-CG 4.37Å; I8-E12 WeakPolarHBondContact O-CG 3.48Å; I8-E12 PolarHBondContact O-N 2.7Å
9	L	54	Low	52.5	Low	96 Å²	96	105.5 Å²	105.5	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-59.2	-38.9	-179.7	-160.5	90.8	0	0	0	112.8	E5 R13	E5-L9 PolarHBondContact O-N 2.8Å; L9-R13 WeakPolarHBondContact O-CB 3.41Å; L9-R13 PolarHBondContact O-N 3.41Å
10	L	48.8	Very low	52.8	Low	90 Å²	90	105.7 Å²	105.7	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-67.6	-35.1	173.9	-80.1	175.1	0	0	0	112.8	F6 C7 I8 R14	F6-L10 HydrophobicContact CD1-CD1 3.87Å; F6-L10 HydrophobicContact CE1-CD1 3.48Å; F6-L10 VanDerWaalsContact CE1-CD1 3.48Å; F6-L10 HydrophobicContact CE1-CG 4.24Å; F6-L10 HydrophobicContact CZ-CD1 3.98Å; F6-L10 HydrophobicContact CZ-CG 4.34Å; F6-L10 WeakPolarHBondContact O-CB 3.35Å; F6-L10 WeakPolarHBondContact O-CG 3.47Å; F6-L10 PolarHBondContact O-N 3.45Å; F6-L10 VanDerWaalsContact O-N 3.12Å; C7-L10 PolarHBondContact O-N 2.88Å; I8-L10 VanDerWaalsContact C-N 3.3Å; I8-L10 PolarHBondContact O-N 3.37Å; L10-R14 WeakPolarHBondContact O-CB 3.22Å; L10-R14 PolarHBondContact O-N 3.43Å
11	E	57.9	Low	52.9	Low	58 Å²	58	105.1 Å²	105.1	27%	0.271	52%	0.521	S	S	.	.	H	α-helix	trans	-76.4	-35.3	-179	-161.2	60.6	-138	0	0	111.5	C7 I8 R14 K15 R103	C7-E11 WeakPolarHBondContact O-CB 3.37Å; C7-E11 PolarHBondContact O-N 3.07Å; I8-E11 PolarHBondContact O-N 3.19Å; E11-R14 WeakPolarHBondContact O-CB 3.36Å; E11-R14 PolarHBondContact O-N 3.44Å; E11-R14 IonicContact OE1-CZ 3.79Å; E11-R14 IonicContact OE1-NE 3.9Å; E11-R14 PolarHBondContact OE1-NE 3.45Å; E11-R14 IonicContact OE1-NH2 2.88Å; E11-R14 PolarHBondContact OE1-NH2 3.44Å; E11-R14 IonicContact OE2-NE 2.67Å; E11-K15 WeakPolarHBondContact O-CG 3.31Å; E11-K15 PolarHBondContact O-N 3.34Å; E11-R103 IonicContact OE2-NH2 3.13Å; E11-R103 PolarHBondContact OE2-NH2 3.32Å
12	E	61.3	Low	53.7	Low	114 Å²	114	103.6 Å²	103.6	53%	0.533	51%	0.51	S	S	.	.	H	α-helix	trans	-64.6	-47.9	168.7	-70.2	176.7	155.1	0	0	111.5	I8 R14 K15 A16	I8-E12 HydrophobicContact CG2-CG 4.37Å; I8-E12 WeakPolarHBondContact O-CG 3.48Å; I8-E12 PolarHBondContact O-N 2.7Å; E12-R14 PolarHBondContact O-N 2.88Å; E12-K15 WeakPolarHBondContact O-CB 3.44Å; E12-K15 PolarHBondContact O-N 3.12Å; E12-K15 VanDerWaalsContact O-N 3.08Å; E12-A16 PolarHBondContact O-N 3.27Å
13	R	58.5	Low	54.5	Low	183 Å²	183	100.1 Å²	100.1	69%	0.691	50%	0.503	S	S	*	.	H	α-helix	trans	-64.9	-26.3	176.2	-162.1	167.1	-176.9	163.1	-0.4	112.3	L9 L17	L9-R13 WeakPolarHBondContact O-CB 3.41Å; L9-R13 PolarHBondContact O-N 3.41Å; R13-L17 WeakPolarHBondContact O-CB 3.38Å; R13-L17 WeakPolarHBondContact O-CG 3.25Å; R13-L17 PolarHBondContact O-N 2.97Å
14	R	59.1	Low	55	Low	158 Å²	158	104.3 Å²	104.3	60%	0.596	51%	0.51	S	S	*	.	H	α-helix	trans	-69	-43.7	169.8	-172.1	176.2	82.7	101	-2.9	112.1	L10 E11 E12 A18	L10-R14 WeakPolarHBondContact O-CB 3.22Å; L10-R14 PolarHBondContact O-N 3.43Å; E11-R14 WeakPolarHBondContact O-CB 3.36Å; E11-R14 PolarHBondContact O-N 3.44Å; E11-R14 IonicContact OE1-CZ 3.79Å; E11-R14 IonicContact OE1-NE 3.9Å; E11-R14 PolarHBondContact OE1-NE 3.45Å; E11-R14 IonicContact OE1-NH2 2.88Å; E11-R14 PolarHBondContact OE1-NH2 3.44Å; E11-R14 IonicContact OE2-NE 2.67Å; E12-R14 PolarHBondContact O-N 2.88Å; R14-A18 PolarHBondContact O-N 3.45Å; R14-A18 VanDerWaalsContact O-N 3.08Å
15	K	63.4	Low	55.2	Low	132 Å²	132	104.1 Å²	104.1	57%	0.574	51%	0.507	S	S	*	.	H	α-helix	trans	-62.1	-52.8	175.1	-72.7	176.7	179	-179.8	0	111.3	E11 E12 L17 A18 D19	E11-K15 WeakPolarHBondContact O-CG 3.31Å; E11-K15 PolarHBondContact O-N 3.34Å; E12-K15 WeakPolarHBondContact O-CB 3.44Å; E12-K15 PolarHBondContact O-N 3.12Å; E12-K15 VanDerWaalsContact O-N 3.08Å; K15-L17 VanDerWaalsContact C-N 3.27Å; K15-L17 PolarHBondContact O-N 3.48Å; K15-A18 CarbonylContact O-C 3.54Å; K15-A18 WeakPolarHBondContact O-CA 3.16Å; K15-A18 WeakPolarHBondContact O-CB 3.3Å; K15-A18 PolarHBondContact O-N 2.82Å; K15-D19 VanDerWaalsContact O-CG 3.3Å; K15-D19 PolarHBondContact O-N 2.75Å
16	A	57.9	Low	55.1	Low	47 Å²	47	101.7 Å²	101.7	39%	0.388	50%	0.504	S	S	.	.	H	α-helix	trans	-55.2	-40.8	179.4	0	0	0	0	0	112.8	E12 D19 I20	E12-A16 PolarHBondContact O-N 3.27Å; A16-D19 PolarHBondContact O-N 2.62Å; A16-I20 WeakPolarHBondContact O-CB 3.43Å; A16-I20 WeakPolarHBondContact O-CD1 3.32Å; A16-I20 WeakPolarHBondContact O-CG1 3.39Å; A16-I20 PolarHBondContact O-N 2.99Å
17	L	50.8	Low	55.4	Low	99 Å²	99	102.3 Å²	102.3	52%	0.518	51%	0.507	S	S	.	.	H	α-helix	trans	-67.9	-35.8	174.1	-77.3	170.9	0	0	0	113.3	R13 K15 I21	R13-L17 WeakPolarHBondContact O-CB 3.38Å; R13-L17 WeakPolarHBondContact O-CG 3.25Å; R13-L17 PolarHBondContact O-N 2.97Å; K15-L17 VanDerWaalsContact C-N 3.27Å; K15-L17 PolarHBondContact O-N 3.48Å; L17-I21 WeakPolarHBondContact O-CD1 3.34Å; L17-I21 WeakPolarHBondContact O-CG1 3.24Å; L17-I21 PolarHBondContact O-N 2.87Å; L17-I21 VanDerWaalsContact O-N 3.15Å
18	A	56.4	Low	55.3	Low	36 Å²	36	103.8 Å²	103.8	30%	0.298	51%	0.511	S	S	.	.	H	α-helix	trans	-66	-46.1	173.5	0	0	0	0	0	111.2	R14 K15 I20 I21 F22	R14-A18 PolarHBondContact O-N 3.45Å; R14-A18 VanDerWaalsContact O-N 3.08Å; K15-A18 CarbonylContact O-C 3.54Å; K15-A18 WeakPolarHBondContact O-CA 3.16Å; K15-A18 WeakPolarHBondContact O-CB 3.3Å; K15-A18 PolarHBondContact O-N 2.82Å; A18-I20 PolarHBondContact O-N 3Å; A18-I21 PolarHBondContact O-N 2.99Å; A18-I21 VanDerWaalsContact O-N 3.12Å; A18-F22 VanDerWaalsContact O-CD2 3.25Å; A18-F22 WeakPolarHBondContact O-CD2 3.43Å; A18-F22 PolarHBondContact O-N 3.47Å
19	D	60	Low	54.6	Low	104 Å²	104	104.5 Å²	104.5	56%	0.556	51%	0.513	S	S	*	.	H	α-helix	trans	-64.1	-38.6	-179.6	-60	-32.1	0	0	0	111.7	K15 A16 S23	K15-D19 VanDerWaalsContact O-CG 3.3Å; K15-D19 PolarHBondContact O-N 2.75Å; A16-D19 PolarHBondContact O-N 2.62Å; D19-S23 WeakPolarHBondContact O-CB 3.03Å; D19-S23 PolarHBondContact O-N 3.39Å
20	I	58.2	Low	54.2	Low	108 Å²	108	106 Å²	106	55%	0.554	52%	0.518	S	S	*	.	H	α-helix	trans	-62.5	-42.7	172.2	-71.7	164.7	0	0	0	111.3	A16 A18 K24	A16-I20 WeakPolarHBondContact O-CB 3.43Å; A16-I20 WeakPolarHBondContact O-CD1 3.32Å; A16-I20 WeakPolarHBondContact O-CG1 3.39Å; A16-I20 PolarHBondContact O-N 2.99Å; A18-I20 PolarHBondContact O-N 3Å; I20-K24 WeakPolarHBondContact O-CB 3.23Å; I20-K24 PolarHBondContact O-N 3.43Å; I20-K24 VanDerWaalsContact O-N 3.08Å
21	I	54.5	Low	54.1	Low	94 Å²	94	108 Å²	108	48%	0.482	53%	0.529	S	S	.	.	H	α-helix	trans	-66.6	-48	178.4	-70.8	166.6	0	0	0	110.6	L17 A18 S23 K24 F25	L17-I21 WeakPolarHBondContact O-CD1 3.34Å; L17-I21 WeakPolarHBondContact O-CG1 3.24Å; L17-I21 PolarHBondContact O-N 2.87Å; L17-I21 VanDerWaalsContact O-N 3.15Å; A18-I21 PolarHBondContact O-N 2.99Å; A18-I21 VanDerWaalsContact O-N 3.12Å; I21-S23 PolarHBondContact O-N 2.97Å; I21-K24 PolarHBondContact O-N 2.99Å; I21-F25 HydrophobicContact CG2-CD2 3.83Å; I21-F25 HydrophobicContact CG2-CE2 4.05Å; I21-F25 WeakPolarHBondContact O-CD2 3.23Å; I21-F25 PolarHBondContact O-N 3.11Å
22	F	58.3	Low	53.7	Low	155 Å²	155	112.7 Å²	112.7	68%	0.68	55%	0.548	S	S	*	.	H	α-helix	trans	-63.4	-39.9	177.3	-80.7	-65.6	0	0	0	112.5	A18 K24 G26	A18-F22 VanDerWaalsContact O-CD2 3.25Å; A18-F22 WeakPolarHBondContact O-CD2 3.43Å; A18-F22 PolarHBondContact O-N 3.47Å; F22-K24 VanDerWaalsContact C-N 3.31Å; F22-K24 PolarHBondContact O-N 2.9Å; F22-G26 PolarHBondContact O-N 3.19Å
23	S	62.7	Low	52.9	Low	65 Å²	65	113.2 Å²	113.2	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-62.4	-37.4	175.4	-175.9	0	0	0	0	112.2	D19 I21 K27	D19-S23 WeakPolarHBondContact O-CB 3.03Å; D19-S23 PolarHBondContact O-N 3.39Å; I21-S23 PolarHBondContact O-N 2.97Å; S23-K27 WeakPolarHBondContact O-CG 3.43Å; S23-K27 PolarHBondContact O-N 3.05Å
24	K	50.3	Low	52.2	Low	150 Å²	150	111 Å²	111	65%	0.652	55%	0.553	S	S	*	*	H	α-helix	trans	-71.8	-48.8	177.6	-155.7	161.6	-172.8	169	0	111.8	I20 I21 F22 G26 K27 D28	I20-K24 WeakPolarHBondContact O-CB 3.23Å; I20-K24 PolarHBondContact O-N 3.43Å; I20-K24 VanDerWaalsContact O-N 3.08Å; I21-K24 PolarHBondContact O-N 2.99Å; F22-K24 VanDerWaalsContact C-N 3.31Å; F22-K24 PolarHBondContact O-N 2.9Å; K24-G26 VanDerWaalsContact C-N 3.35Å; K24-G26 PolarHBondContact O-N 2.99Å; K24-K27 PolarHBondContact O-N 3.47Å; K24-D28 PolarHBondContact O-N 3.43Å
25	F	50	Low	51.4	Low	140 Å²	140	108.5 Å²	108.5	61%	0.614	56%	0.559	S	S	*	*	H	α-helix	trans	-65.7	-32.4	176.3	-85.2	-76.3	0	0	0	113.8	I21 D28 M29	I21-F25 HydrophobicContact CG2-CD2 3.83Å; I21-F25 HydrophobicContact CG2-CE2 4.05Å; I21-F25 WeakPolarHBondContact O-CD2 3.23Å; I21-F25 PolarHBondContact O-N 3.11Å; F25-D28 PolarHBondContact O-N 3.49Å; F25-M29 WeakPolarHBondContact O-CG 3.35Å; F25-M29 PolarHBondContact O-N 2.97Å
26	G	47.2	Very low	50.2	Low	33 Å²	33	113.1 Å²	113.1	34%	0.34	57%	0.573	S	S	.	*	H	α-helix	trans	-63	-47.3	175.8	0	0	0	0	0	112.3	F22 K24 D28 M29 E30	F22-G26 PolarHBondContact O-N 3.19Å; K24-G26 VanDerWaalsContact C-N 3.35Å; K24-G26 PolarHBondContact O-N 2.99Å; G26-D28 VanDerWaalsContact C-N 3.33Å; G26-D28 PolarHBondContact O-N 2.84Å; G26-M29 WeakPolarHBondContact O-CB 3.32Å; G26-M29 PolarHBondContact O-N 3.43Å; G26-M29 VanDerWaalsContact O-N 3.1Å; G26-E30 PolarHBondContact O-N 3.44Å
27	K	49.6	Very low	49	Very low	125 Å²	125	118.1 Å²	118.1	54%	0.543	59%	0.593	S	S	.	*	H	α-helix	trans	-65	-35	177.8	-70.5	179.4	179.3	-173.1	0	113	S23 K24 M29 N31	S23-K27 WeakPolarHBondContact O-CG 3.43Å; S23-K27 PolarHBondContact O-N 3.05Å; K24-K27 PolarHBondContact O-N 3.47Å; K27-M29 PolarHBondContact O-N 2.7Å; K27-N31 WeakPolarHBondContact O-CB 3.26Å; K27-N31 PolarHBondContact O-N 2.66Å; K27-N31 VanDerWaalsContact O-N 3.12Å; K27-N31 PolarHBondContact O-ND2 3.38Å; K27-N31 VanDerWaalsContact O-ND2 3.16Å
28	D	42.8	Very low	48.2	Very low	92 Å²	92	122.6 Å²	122.6	49%	0.492	61%	0.611	S	S	.	*	H	α-helix	trans	-68.9	-20.1	175.3	-70.6	-19.2	0	0	0	113.1	K24 F25 G26	K24-D28 PolarHBondContact O-N 3.43Å; F25-D28 PolarHBondContact O-N 3.49Å; G26-D28 VanDerWaalsContact C-N 3.33Å; G26-D28 PolarHBondContact O-N 2.84Å
29	M	45.8	Very low	47.2	Very low	116 Å²	116	125.2 Å²	125.2	57%	0.571	63%	0.633	S	S	*	*	H	α-helix	trans	-88	-46.1	172.6	-69.6	-73.6	-77.6	0	0	112.2	F25 G26 K27 N31 K32 Q33	F25-M29 WeakPolarHBondContact O-CG 3.35Å; F25-M29 PolarHBondContact O-N 2.97Å; G26-M29 WeakPolarHBondContact O-CB 3.32Å; G26-M29 PolarHBondContact O-N 3.43Å; G26-M29 VanDerWaalsContact O-N 3.1Å; K27-M29 PolarHBondContact O-N 2.7Å; M29-N31 VanDerWaalsContact C-N 3.26Å; M29-N31 PolarHBondContact O-N 3.11Å; M29-K32 PolarHBondContact O-N 2.92Å; M29-Q33 PolarHBondContact O-N 2.97Å
30	E	45.6	Very low	45.9	Very low	128 Å²	128	126.9 Å²	126.9	60%	0.598	65%	0.652	S	S	*	*	H	α-helix	trans	-57.8	-39	177	-72.1	-174.6	127.3	0	0	112.2	G26 K32 Q33 N34	G26-E30 PolarHBondContact O-N 3.44Å; E30-K32 PolarHBondContact O-N 3.09Å; E30-K32 VanDerWaalsContact O-N 3.13Å; E30-Q33 PolarHBondContact O-N 3.5Å; E30-N34 PolarHBondContact O-N 2.85Å; E30-N34 PolarHBondContact O-ND2 3.5Å
31	N	46.3	Very low	44.6	Very low	130 Å²	130	126.6 Å²	126.6	70%	0.695	67%	0.665	S	S	*	*	H	α-helix	trans	-67.8	-5.9	175.5	-75.7	-33.8	0	0	0	114.8	K27 M29	K27-N31 WeakPolarHBondContact O-CB 3.26Å; K27-N31 PolarHBondContact O-N 2.66Å; K27-N31 VanDerWaalsContact O-N 3.12Å; K27-N31 PolarHBondContact O-ND2 3.38Å; K27-N31 VanDerWaalsContact O-ND2 3.16Å; M29-N31 VanDerWaalsContact C-N 3.26Å; M29-N31 PolarHBondContact O-N 3.11Å
32	K	48.5	Very low	43.5	Very low	157 Å²	157	126.5 Å²	126.5	68%	0.683	68%	0.679	S	S	*	*	H	α-helix	trans	-107.7	-30.5	169.7	-75.3	175.8	178.2	167.9	0	113.1	M29 E30 N34 S35	M29-K32 PolarHBondContact O-N 2.92Å; E30-K32 PolarHBondContact O-N 3.09Å; E30-K32 VanDerWaalsContact O-N 3.13Å; K32-N34 VanDerWaalsContact C-N 3.33Å; K32-N34 PolarHBondContact O-N 3Å; K32-S35 PolarHBondContact O-OG 3.1Å; K32-S35 VanDerWaalsContact O-OG 3.1Å
33	Q	45.9	Very low	42.3	Very low	126 Å²	126	127.8 Å²	127.8	59%	0.589	69%	0.687	S	S	*	*	H	α-helix	trans	-67.4	-30.2	-176.7	-129.1	69.9	-0.5	0	0	113.5	M29 E30 S35 R36	M29-Q33 PolarHBondContact O-N 2.97Å; E30-Q33 PolarHBondContact O-N 3.5Å; Q33-S35 PolarHBondContact O-N 3.33Å; Q33-R36 PolarHBondContact O-N 2.77Å
34	N	42.8	Very low	40.8	Very low	137 Å²	137	132 Å²	132	73%	0.733	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	28.3	-178.5	-75.4	-32.2	0	0	0	115.7	E30 K32	E30-N34 PolarHBondContact O-N 2.85Å; E30-N34 PolarHBondContact O-ND2 3.5Å; K32-N34 VanDerWaalsContact C-N 3.33Å; K32-N34 PolarHBondContact O-N 3Å
35	S	43.4	Very low	40.1	Very low	104 Å²	104	133.1 Å²	133.1	73%	0.727	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.1	-3.5	175.8	62.5	0	0	0	0	114.5	K32 Q33	K32-S35 PolarHBondContact O-OG 3.1Å; K32-S35 VanDerWaalsContact O-OG 3.1Å; Q33-S35 PolarHBondContact O-N 3.33Å
36	R	37.3	Very low	39.3	Very low	230 Å²	230	135.1 Å²	135.1	87%	0.868	73%	0.726	S	S	*	*			trans	-142.7	90.1	175.7	-85.1	-170.7	163.4	122.4	-3.8	112.7	Q33	Q33-R36 PolarHBondContact O-N 2.77Å
37	N	33.2	Very low	38.7	Very low	151 Å²	151	140 Å²	140	81%	0.807	74%	0.744	S	S	*	*			trans	-97.7	113.4	159.8	-72.8	-21.9	0	0	0	109
38	E	33.8	Very low	38.2	Very low	193 Å²	193	142 Å²	142	90%	0.902	76%	0.761	S	S	*	*			trans	178.9	153.4	131.9	-103.5	-178.6	172.1	0	0	112.9
39	A	34.4	Very low	38.3	Very low	92 Å²	92	141.3 Å²	141.3	76%	0.76	76%	0.759	S	S	*	*			trans	71.3	140.5	166.6	0	0	0	0	0	120.6
40	C	33.2	Very low	38.7	Very low	139 Å²	139	141.2 Å²	141.2	94%	0.939	76%	0.761	S	S	*	*			trans	71	131.7	167.7	-63.7	0	0	0	0	118.1
41	A	30.3	Very low	39.7	Very low	101 Å²	101	138 Å²	138	84%	0.835	76%	0.756	S	S	*	*			trans	-132.4	178.9	-172.5	0	0	0	0	0	111.7
42	A	31.8	Very low	40.3	Very low	93 Å²	93	138.6 Å²	138.6	77%	0.769	76%	0.755	S	S	*	*			trans	88.5	150.1	167.9	0	0	0	0	0	118.3
43	Q	33.9	Very low	40.7	Very low	181 Å²	181	134.5 Å²	134.5	85%	0.846	74%	0.743	S	S	*	*			trans	72.8	85.9	167.2	-57.5	-174.8	5.6	0	0	117.8
44	N	30.9	Very low	41.1	Very low	155 Å²	155	132.5 Å²	132.5	83%	0.829	73%	0.733	S	S	*	*				18.6	108.8	123.5	-56.4	-8.4	0	0	0	116.8
45	N	35.5	Very low	42.1	Very low	172 Å²	172	130.6 Å²	130.6	92%	0.92	72%	0.723	S	S	*	*				-153.3	158.9	127.2	-101.1	-42.7	0	0	0	111.2
46	F	32.8	Very low	42.5	Very low	182 Å²	182	128.9 Å²	128.9	80%	0.798	70%	0.704	S	S	*	*			trans	-90.6	109.6	-160.6	175.5	-94	0	0	0	112.4	D48	F46-D48 PolarHBondContact O-N 2.89Å
47	L	35.7	Very low	43.2	Very low	136 Å²	136	123 Å²	123	71%	0.712	69%	0.688	S	S	*	*			trans	34.7	74.5	161.9	-65.8	175.2	0	0	0	115.4	V49	L47-V49 PolarHBondContact O-N 3.44Å
48	D	37.8	Very low	44.2	Very low	168 Å²	168	120.8 Å²	120.8	90%	0.898	67%	0.672	S	S	*	*			trans	-67.6	102.3	166.1	-156.6	9.2	0	0	0	108.5	F46 D50	F46-D48 PolarHBondContact O-N 2.89Å; D48-D50 PolarHBondContact O-N 2.98Å
49	V	45.9	Very low	45.4	Very low	76 Å²	76	115.4 Å²	115.4	46%	0.461	66%	0.655	S	S	.	*			trans	-77	111.6	179.2	176.6	0	0	0	0	107.3	L47 A51 V53 E54	L47-V49 PolarHBondContact O-N 3.44Å; V49-A51 PolarHBondContact O-N 3.14Å; V49-V53 HydrophobicContact CG1-CB 4.07Å; V49-V53 HydrophobicContact CG1-CG1 4Å; V49-E54 HydrophobicContact CG1-CB 4.31Å
50	D	53.2	Low	46.3	Very low	115 Å²	115	113.5 Å²	113.5	62%	0.615	63%	0.632	S	S	*	*			trans	-43	129	-179.2	-167.5	-19.8	0	0	0	111	D48 E52 V53 E54	D48-D50 PolarHBondContact O-N 2.98Å; D50-E52 PolarHBondContact O-N 3.29Å; D50-V53 HydrophobicContact CB-CG2 4.3Å; D50-V53 WeakPolarHBondContact O-CA 3.33Å; D50-V53 WeakPolarHBondContact O-CB 3.37Å; D50-V53 PolarHBondContact O-N 2.88Å; D50-E54 PolarHBondContact O-N 3.02Å
51	A	66.6	Low	47	Very low	59 Å²	59	108.9 Å²	108.9	49%	0.488	60%	0.603	S	S	.	*	H	α-helix	trans	-59	-26.6	-168.8	0	0	0	0	0	112.3	V49 N55	V49-A51 PolarHBondContact O-N 3.14Å; A51-N55 VanDerWaalsContact O-CB 3.29Å; A51-N55 WeakPolarHBondContact O-CB 3.3Å; A51-N55 VanDerWaalsContact O-CG 3.31Å; A51-N55 PolarHBondContact O-N 3.29Å; A51-N55 PolarHBondContact O-ND2 3.02Å
52	E	60.4	Low	48.1	Very low	143 Å²	143	106.7 Å²	106.7	67%	0.668	59%	0.585	S	S	*	*	H	α-helix	trans	-68.5	-39.2	172.6	-171.7	162	-179.4	0	0	112.3	D50 N55 Q56	D50-E52 PolarHBondContact O-N 3.29Å; E52-N55 PolarHBondContact O-N 3.27Å; E52-Q56 VanDerWaalsContact O-CB 3.32Å; E52-Q56 WeakPolarHBondContact O-CB 3.39Å; E52-Q56 PolarHBondContact O-N 3.36Å
53	V	55.5	Low	49.3	Very low	71 Å²	71	107.1 Å²	107.1	43%	0.43	57%	0.568	S	S	.	*	H	α-helix	trans	-67.6	-43.3	175.1	179.7	0	0	0	0	110.9	V49 D50 N55 Q56 I57	V49-V53 HydrophobicContact CG1-CB 4.07Å; V49-V53 HydrophobicContact CG1-CG1 4Å; D50-V53 HydrophobicContact CB-CG2 4.3Å; D50-V53 WeakPolarHBondContact O-CA 3.33Å; D50-V53 WeakPolarHBondContact O-CB 3.37Å; D50-V53 PolarHBondContact O-N 2.88Å; V53-N55 VanDerWaalsContact C-N 3.35Å; V53-N55 PolarHBondContact O-N 2.71Å; V53-Q56 PolarHBondContact O-N 3.24Å; V53-I57 HydrophobicContact CG1-CD1 4.08Å; V53-I57 WeakPolarHBondContact O-CG1 3.25Å; V53-I57 PolarHBondContact O-N 3.3Å
54	E	54.7	Low	50.1	Low	85 Å²	85	107.1 Å²	107.1	40%	0.397	56%	0.56	S	S	.	*	H	α-helix	trans	-63	-42.1	177.4	-155.3	-141	175	0	0	111.2	V49 D50 I57 K58	V49-E54 HydrophobicContact CG1-CB 4.31Å; D50-E54 PolarHBondContact O-N 3.02Å; E54-I57 PolarHBondContact O-N 3.39Å; E54-K58 VanDerWaalsContact O-CG 3.3Å; E54-K58 WeakPolarHBondContact O-CG 3.3Å; E54-K58 PolarHBondContact O-N 3.41Å; E54-K58 WeakPolarHBondContact OE1-CE 3.38Å; E54-K58 IonicContact OE1-NZ 3.21Å; E54-K58 PolarHBondContact OE1-NZ 3.12Å; E54-K58 IonicContact OE2-NZ 3.61Å; E54-K58 PolarHBondContact OE2-NZ 2.6Å
55	N	63.4	Low	50.9	Low	97 Å²	97	104.4 Å²	104.4	52%	0.519	54%	0.539	S	S	.	.	H	α-helix	trans	-64.7	-37.7	172.7	-79.4	-52.7	0	0	0	112.7	A51 E52 V53 K58 S59	A51-N55 VanDerWaalsContact O-CB 3.29Å; A51-N55 WeakPolarHBondContact O-CB 3.3Å; A51-N55 VanDerWaalsContact O-CG 3.31Å; A51-N55 PolarHBondContact O-N 3.29Å; A51-N55 PolarHBondContact O-ND2 3.02Å; E52-N55 PolarHBondContact O-N 3.27Å; V53-N55 VanDerWaalsContact C-N 3.35Å; V53-N55 PolarHBondContact O-N 2.71Å; N55-K58 PolarHBondContact O-N 2.76Å; N55-S59 WeakPolarHBondContact O-CB 3.3Å; N55-S59 PolarHBondContact O-N 3.34Å
56	Q	53.3	Low	52.1	Low	67 Å²	67	101.2 Å²	101.2	31%	0.313	52%	0.518	S	S	.	.	H	α-helix	trans	-66.5	-37.9	176.7	-167.7	170.8	-14.7	0	0	111.6	E52 V53 S59 I60	E52-Q56 VanDerWaalsContact O-CB 3.32Å; E52-Q56 WeakPolarHBondContact O-CB 3.39Å; E52-Q56 PolarHBondContact O-N 3.36Å; V53-Q56 PolarHBondContact O-N 3.24Å; Q56-S59 PolarHBondContact O-N 2.86Å; Q56-I60 HydrophobicContact CG-CD1 4.27Å; Q56-I60 WeakPolarHBondContact O-CG1 3.29Å; Q56-I60 PolarHBondContact O-N 3.09Å
57	I	51	Low	53.2	Low	106 Å²	106	99.3 Å²	99.3	54%	0.544	51%	0.506	S	S	.	.	H	α-helix	trans	-64.9	-47.6	172.3	-68.2	166.6	0	0	0	110.8	V53 E54 S59 I60 A61	V53-I57 HydrophobicContact CG1-CD1 4.08Å; V53-I57 WeakPolarHBondContact O-CG1 3.25Å; V53-I57 PolarHBondContact O-N 3.3Å; E54-I57 PolarHBondContact O-N 3.39Å; I57-S59 VanDerWaalsContact C-N 3.31Å; I57-S59 PolarHBondContact O-N 3.09Å; I57-I60 PolarHBondContact O-N 2.95Å; I57-A61 WeakPolarHBondContact O-CB 3.31Å; I57-A61 PolarHBondContact O-N 3.4Å
58	K	53.5	Low	53.8	Low	106 Å²	106	96.8 Å²	96.8	46%	0.461	49%	0.492	S	S	.	.	H	α-helix	trans	-56.9	-42.7	175.8	-74.3	166.8	177.7	170.3	0	111.9	E54 N55 A61 A62	E54-K58 VanDerWaalsContact O-CG 3.3Å; E54-K58 WeakPolarHBondContact O-CG 3.3Å; E54-K58 PolarHBondContact O-N 3.41Å; E54-K58 WeakPolarHBondContact OE1-CE 3.38Å; E54-K58 IonicContact OE1-NZ 3.21Å; E54-K58 PolarHBondContact OE1-NZ 3.12Å; E54-K58 IonicContact OE2-NZ 3.61Å; E54-K58 PolarHBondContact OE2-NZ 2.6Å; N55-K58 PolarHBondContact O-N 2.76Å; K58-A61 PolarHBondContact O-N 3.08Å; K58-A62 WeakPolarHBondContact O-CB 3.25Å; K58-A62 PolarHBondContact O-N 3.06Å
59	S	60.2	Low	54.6	Low	79 Å²	79	90.7 Å²	90.7	55%	0.552	46%	0.46	S	S	*	.	H	α-helix	trans	-64.2	-48	177.6	-177.1	0	0	0	0	112.8	N55 Q56 I57 A61 A62 Y63	N55-S59 WeakPolarHBondContact O-CB 3.3Å; N55-S59 PolarHBondContact O-N 3.34Å; Q56-S59 PolarHBondContact O-N 2.86Å; I57-S59 VanDerWaalsContact C-N 3.31Å; I57-S59 PolarHBondContact O-N 3.09Å; S59-A61 VanDerWaalsContact C-N 3.31Å; S59-A61 PolarHBondContact O-N 3.38Å; S59-A62 PolarHBondContact O-N 2.89Å; S59-Y63 PolarHBondContact O-N 3.01Å
60	I	52.6	Low	55.1	Low	53 Å²	53	89.2 Å²	89.2	27%	0.272	45%	0.453	S	S	.	.	H	α-helix	trans	-63.3	-37.9	177.4	-68.4	166.2	0	0	0	111.2	Q56 I57 R64	Q56-I60 HydrophobicContact CG-CD1 4.27Å; Q56-I60 WeakPolarHBondContact O-CG1 3.29Å; Q56-I60 PolarHBondContact O-N 3.09Å; I57-I60 PolarHBondContact O-N 2.95Å; I60-R64 WeakPolarHBondContact O-CG 3.17Å; I60-R64 PolarHBondContact O-N 3.15Å; I60-R64 VanDerWaalsContact O-N 3.15Å
61	A	47.7	Very low	54.9	Low	42 Å²	42	87 Å²	87	35%	0.347	44%	0.441	S	S	.	.	H	α-helix	trans	-63.7	-49	174.4	0	0	0	0	0	111.6	I57 K58 S59 Y63 R64 Y65	I57-A61 WeakPolarHBondContact O-CB 3.31Å; I57-A61 PolarHBondContact O-N 3.4Å; K58-A61 PolarHBondContact O-N 3.08Å; S59-A61 VanDerWaalsContact C-N 3.31Å; S59-A61 PolarHBondContact O-N 3.38Å; A61-Y63 PolarHBondContact O-N 2.99Å; A61-R64 PolarHBondContact O-N 3.03Å; A61-Y65 VanDerWaalsContact O-CD2 3.25Å; A61-Y65 WeakPolarHBondContact O-CD2 3.43Å; A61-Y65 PolarHBondContact O-N 3.28Å
62	A	54.8	Low	54.1	Low	55 Å²	55	87.9 Å²	87.9	46%	0.455	44%	0.437	S	S	.	.	H	α-helix	trans	-58.9	-46.4	178.7	0	0	0	0	0	112.4	K58 S59 R64 Y65 E66	K58-A62 WeakPolarHBondContact O-CB 3.25Å; K58-A62 PolarHBondContact O-N 3.06Å; S59-A62 PolarHBondContact O-N 2.89Å; A62-R64 VanDerWaalsContact C-N 3.34Å; A62-R64 PolarHBondContact O-N 2.92Å; A62-Y65 PolarHBondContact O-N 3.31Å; A62-Y65 VanDerWaalsContact O-N 3.17Å; A62-E66 PolarHBondContact O-N 3.16Å
63	Y	56.2	Low	53.7	Low	102 Å²	102	83 Å²	83	40%	0.4	41%	0.414	S	S	.	.	H	α-helix	trans	-59.8	-42.1	176.5	177.1	-91.5	0	0	0	112.4	S59 A61 Y65 E66 R67	S59-Y63 PolarHBondContact O-N 3.01Å; A61-Y63 PolarHBondContact O-N 2.99Å; Y63-Y65 VanDerWaalsContact C-N 3.35Å; Y63-Y65 PolarHBondContact O-N 2.94Å; Y63-E66 PolarHBondContact O-N 2.92Å; Y63-R67 WeakPolarHBondContact O-CB 3.41Å; Y63-R67 PolarHBondContact O-N 3.31Å
64	R	51.5	Low	53.6	Low	181 Å²	181	82.7 Å²	82.7	68%	0.683	41%	0.409	S	S	*	.	H	α-helix	trans	-65.7	-35.5	176	-74.8	179	174	-166.7	-1.8	112.5	I60 A61 A62 L68	I60-R64 WeakPolarHBondContact O-CG 3.17Å; I60-R64 PolarHBondContact O-N 3.15Å; I60-R64 VanDerWaalsContact O-N 3.15Å; A61-R64 PolarHBondContact O-N 3.03Å; A62-R64 VanDerWaalsContact C-N 3.34Å; A62-R64 PolarHBondContact O-N 2.92Å; R64-L68 WeakPolarHBondContact O-CB 3.31Å; R64-L68 PolarHBondContact O-N 2.7Å; R64-L68 VanDerWaalsContact O-N 3.15Å
65	Y	46.5	Very low	53.4	Low	98 Å²	98	85.5 Å²	85.5	38%	0.384	42%	0.422	S	S	.	.	H	α-helix	trans	-68.1	-47	173.4	-83.4	-66.8	0	0	0	112.6	A61 A62 Y63 R67 L68 I69 Y100	A61-Y65 VanDerWaalsContact O-CD2 3.25Å; A61-Y65 WeakPolarHBondContact O-CD2 3.43Å; A61-Y65 PolarHBondContact O-N 3.28Å; A62-Y65 PolarHBondContact O-N 3.31Å; A62-Y65 VanDerWaalsContact O-N 3.17Å; Y63-Y65 VanDerWaalsContact C-N 3.35Å; Y63-Y65 PolarHBondContact O-N 2.94Å; Y65-R67 VanDerWaalsContact C-N 3.34Å; Y65-R67 PolarHBondContact O-N 3.28Å; Y65-L68 PolarHBondContact O-N 2.95Å; Y65-I69 VanDerWaalsContact O-CG1 3.29Å; Y65-I69 WeakPolarHBondContact O-CG1 3.25Å; Y65-I69 PolarHBondContact O-N 2.91Å; Y65-Y100 WeakPolarHBondContact CD1-OH 3.48Å; Y65-Y100 HydrophobicContact CE1-CE2 4.42Å; Y65-Y100 WeakPolarHBondContact CE1-OH 3.33Å
66	E	60	Low	52.7	Low	104 Å²	104	84 Å²	84	49%	0.486	42%	0.416	S	S	.	.	H	α-helix	trans	-61.6	-39.2	178	-77.1	-64.6	156.6	0	0	112.4	A62 Y63 I69 S70	A62-E66 PolarHBondContact O-N 3.16Å; Y63-E66 PolarHBondContact O-N 2.92Å; E66-I69 PolarHBondContact O-N 2.85Å; E66-S70 WeakPolarHBondContact O-CB 3.43Å; E66-S70 PolarHBondContact O-N 2.58Å; E66-S70 PolarHBondContact O-OG 3.42Å
67	R	56.1	Low	52.7	Low	143 Å²	143	86 Å²	86	54%	0.54	42%	0.424	S	S	.	.	H	α-helix	trans	-62.7	-48	173.4	-174.9	169.7	178.4	158.5	-1.5	111.8	Y63 Y65 I69 S70 D71	Y63-R67 WeakPolarHBondContact O-CB 3.41Å; Y63-R67 PolarHBondContact O-N 3.31Å; Y65-R67 VanDerWaalsContact C-N 3.34Å; Y65-R67 PolarHBondContact O-N 3.28Å; R67-I69 VanDerWaalsContact C-N 3.32Å; R67-I69 PolarHBondContact O-N 3.2Å; R67-S70 WeakPolarHBondContact O-CA 3.45Å; R67-S70 WeakPolarHBondContact O-CB 3.47Å; R67-S70 PolarHBondContact O-N 3.18Å; R67-D71 VanDerWaalsContact O-CG 3.29Å; R67-D71 PolarHBondContact O-N 3.48Å
68	L	49.1	Very low	52.1	Low	82 Å²	82	83.2 Å²	83.2	43%	0.429	42%	0.422	S	S	.	.	H	α-helix	trans	-65.9	-33.2	179.7	-168	149.6	0	0	0	112.4	R64 Y65 I72	R64-L68 WeakPolarHBondContact O-CB 3.31Å; R64-L68 PolarHBondContact O-N 2.7Å; R64-L68 VanDerWaalsContact O-N 3.15Å; Y65-L68 PolarHBondContact O-N 2.95Å; L68-I72 HydrophobicContact CD2-CD1 3.7Å; L68-I72 VanDerWaalsContact O-CG1 3.29Å; L68-I72 WeakPolarHBondContact O-CG1 3.41Å; L68-I72 PolarHBondContact O-N 3.28Å
69	I	54.6	Low	51.3	Low	41 Å²	41	82.8 Å²	82.8	21%	0.21	43%	0.429	C	S	.	.	H	α-helix	trans	-65.5	-43.4	169.7	-70.1	165.4	0	0	0	110.7	Y65 E66 R67 I72 E73	Y65-I69 VanDerWaalsContact O-CG1 3.29Å; Y65-I69 WeakPolarHBondContact O-CG1 3.25Å; Y65-I69 PolarHBondContact O-N 2.91Å; E66-I69 PolarHBondContact O-N 2.85Å; R67-I69 VanDerWaalsContact C-N 3.32Å; R67-I69 PolarHBondContact O-N 3.2Å; I69-I72 PolarHBondContact O-N 3.13Å; I69-E73 HydrophobicContact CG2-CG 4.46Å; I69-E73 PolarHBondContact O-N 3.43Å
70	S	57.2	Low	50	Low	45 Å²	45	88.3 Å²	88.3	32%	0.315	44%	0.443	S	S	.	.	H	α-helix	trans	-63.9	-43.5	179	-59.6	0	0	0	0	112.2	E66 R67 I72 E73 L74	E66-S70 WeakPolarHBondContact O-CB 3.43Å; E66-S70 PolarHBondContact O-N 2.58Å; E66-S70 PolarHBondContact O-OG 3.42Å; R67-S70 WeakPolarHBondContact O-CA 3.45Å; R67-S70 WeakPolarHBondContact O-CB 3.47Å; R67-S70 PolarHBondContact O-N 3.18Å; S70-I72 VanDerWaalsContact C-N 3.31Å; S70-I72 PolarHBondContact O-N 3.05Å; S70-E73 PolarHBondContact O-N 3.29Å; S70-L74 WeakPolarHBondContact O-CB 3.03Å; S70-L74 WeakPolarHBondContact O-CG 3.42Å; S70-L74 PolarHBondContact O-N 2.83Å
71	D	48.6	Very low	49	Very low	68 Å²	68	93.8 Å²	93.8	36%	0.364	47%	0.473	S	S	.	.	H	α-helix	trans	-62	-38.8	176.7	-65.5	-28.8	0	0	0	111.4	R67 Q75	R67-D71 VanDerWaalsContact O-CG 3.29Å; R67-D71 PolarHBondContact O-N 3.48Å; D71-Q75 VanDerWaalsContact O-CG 3.31Å; D71-Q75 WeakPolarHBondContact O-CG 3.39Å; D71-Q75 PolarHBondContact O-N 3.25Å; D71-Q75 VanDerWaalsContact O-N 3.13Å
72	I	48.7	Very low	48.3	Very low	78 Å²	78	96.5 Å²	96.5	40%	0.4	49%	0.486	S	S	.	.	H	α-helix	trans	-69.9	-43.6	173.9	-69.1	172.2	0	0	0	111.4	L68 I69 S70 L74 Q75 V76	L68-I72 HydrophobicContact CD2-CD1 3.7Å; L68-I72 VanDerWaalsContact O-CG1 3.29Å; L68-I72 WeakPolarHBondContact O-CG1 3.41Å; L68-I72 PolarHBondContact O-N 3.28Å; I69-I72 PolarHBondContact O-N 3.13Å; S70-I72 VanDerWaalsContact C-N 3.31Å; S70-I72 PolarHBondContact O-N 3.05Å; I72-L74 VanDerWaalsContact C-N 3.32Å; I72-L74 PolarHBondContact O-N 3.41Å; I72-Q75 PolarHBondContact O-N 3.02Å; I72-V76 HydrophobicContact CG2-CG2 4.4Å; I72-V76 WeakPolarHBondContact O-CB 3.22Å; I72-V76 VanDerWaalsContact O-CG2 3.31Å; I72-V76 WeakPolarHBondContact O-CG2 3.31Å; I72-V76 PolarHBondContact O-N 2.94Å
73	E	53.5	Low	47.1	Very low	41 Å²	41	97.6 Å²	97.6	19%	0.192	50%	0.504	C	S	.	.	H	α-helix	trans	-62.9	-37.7	177.4	-77.3	-161.6	-163.7	0	0	111.8	I69 S70 V76 K77 K119 L123	I69-E73 HydrophobicContact CG2-CG 4.46Å; I69-E73 PolarHBondContact O-N 3.43Å; S70-E73 PolarHBondContact O-N 3.29Å; E73-V76 PolarHBondContact O-N 2.99Å; E73-K77 WeakPolarHBondContact O-CB 3.24Å; E73-K77 WeakPolarHBondContact O-CD 3.44Å; E73-K77 VanDerWaalsContact O-CG 3.23Å; E73-K77 WeakPolarHBondContact O-CG 3.35Å; E73-K77 PolarHBondContact O-N 3.05Å; E73-K77 IonicContact OE2-NZ 2.58Å; E73-K77 PolarHBondContact OE2-NZ 3.38Å; E73-K119 IonicContact OE1-NZ 3.3Å; E73-L123 HydrophobicContact CG-CD1 4.22Å
74	L	53	Low	46	Very low	64 Å²	64	98.9 Å²	98.9	34%	0.335	52%	0.516	S	S	.	.	H	α-helix	trans	-61.9	-49.3	173	-81.9	164	0	0	0	111.9	S70 I72 V76 K77 G78	S70-L74 WeakPolarHBondContact O-CB 3.03Å; S70-L74 WeakPolarHBondContact O-CG 3.42Å; S70-L74 PolarHBondContact O-N 2.83Å; I72-L74 VanDerWaalsContact C-N 3.32Å; I72-L74 PolarHBondContact O-N 3.41Å; L74-V76 VanDerWaalsContact C-N 3.25Å; L74-V76 PolarHBondContact O-N 2.94Å; L74-K77 PolarHBondContact O-N 3.2Å; L74-G78 PolarHBondContact O-N 2.77Å
75	Q	49.5	Very low	45	Very low	143 Å²	143	97.4 Å²	97.4	67%	0.668	52%	0.521	S	S	*	.	H	α-helix	trans	-62.8	-29.2	177.6	-72.3	175.3	39.8	0	0	113.4	D71 I72	D71-Q75 VanDerWaalsContact O-CG 3.31Å; D71-Q75 WeakPolarHBondContact O-CG 3.39Å; D71-Q75 PolarHBondContact O-N 3.25Å; D71-Q75 VanDerWaalsContact O-N 3.13Å; I72-Q75 PolarHBondContact O-N 3.02Å
76	V	49.7	Very low	44.6	Very low	65 Å²	65	97.1 Å²	97.1	39%	0.394	53%	0.527	S	S	.	.	H	α-helix	trans	-81.7	-30.9	178	169.8	0	0	0	0	112.7	I72 E73 L74 A127	I72-V76 HydrophobicContact CG2-CG2 4.4Å; I72-V76 WeakPolarHBondContact O-CB 3.22Å; I72-V76 VanDerWaalsContact O-CG2 3.31Å; I72-V76 WeakPolarHBondContact O-CG2 3.31Å; I72-V76 PolarHBondContact O-N 2.94Å; E73-V76 PolarHBondContact O-N 2.99Å; L74-V76 VanDerWaalsContact C-N 3.25Å; L74-V76 PolarHBondContact O-N 2.94Å; V76-A127 HydrophobicContact CG1-CB 4.04Å
77	K	53.3	Low	43.6	Very low	111 Å²	111	100 Å²	100	48%	0.483	54%	0.538	S	S	.	.	H	α-helix	trans	-96.1	-29.7	-173.4	-67.5	168.7	-177.5	176.9	0	114.2	E73 L74	E73-K77 WeakPolarHBondContact O-CB 3.24Å; E73-K77 WeakPolarHBondContact O-CD 3.44Å; E73-K77 VanDerWaalsContact O-CG 3.23Å; E73-K77 WeakPolarHBondContact O-CG 3.35Å; E73-K77 PolarHBondContact O-N 3.05Å; E73-K77 IonicContact OE2-NZ 2.58Å; E73-K77 PolarHBondContact OE2-NZ 3.38Å; L74-K77 PolarHBondContact O-N 3.2Å
78	G	37.9	Very low	42.7	Very low	47 Å²	47	99 Å²	99	49%	0.485	54%	0.539	S	S	.	.			trans	-55.4	126.9	-170.3	0	0	0	0	0	115.6	L74	L74-G78 PolarHBondContact O-N 2.77Å
79	P	36.7	Very low	42.2	Very low	96 Å²	96	99.9 Å²	99.9	62%	0.623	55%	0.548	S	S	*	.			trans	-85.3	118.4	-179.1	31.3	-33.5	0	0	0	113.6
80	K	33.9	Very low	41.6	Very low	195 Å²	195	103.3 Å²	103.3	85%	0.848	56%	0.561	S	S	*	*			trans	60.2	79.2	164.1	-57.5	178.9	-179.7	176.8	0	116.4
81	L	30.8	Very low	40.8	Very low	169 Å²	169	105.5 Å²	105.5	89%	0.885	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-63.8	147	146.6	-77.8	167.2	0	0	0	110.1
82	P	33	Very low	40.6	Very low	98 Å²	98	103.8 Å²	103.8	64%	0.636	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-66.3	159	171	30.2	-34.7	0	0	0	111.1	I84	P82-I84 PolarHBondContact O-N 3.28Å
83	G	28.6	Very low	40.4	Very low	79 Å²	79	103.9 Å²	103.9	81%	0.814	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-71.3	118.3	-175.5	0	0	0	0	0	113.1
84	I	34.6	Very low	40.2	Very low	129 Å²	129	106.1 Å²	106.1	66%	0.662	58%	0.581	S	S	*	*			trans	-125.9	127.4	157.2	-51.3	-179.6	0	0	0	105.4	P82 D86	P82-I84 PolarHBondContact O-N 3.28Å; I84-D86 VanDerWaalsContact CG2-OD2 3.23Å; I84-D86 WeakPolarHBondContact CG2-OD2 3.43Å; I84-D86 PolarHBondContact O-N 2.87Å; I84-D86 VanDerWaalsContact O-N 3.11Å
85	D	30.1	Very low	40.5	Very low	149 Å²	149	109.5 Å²	109.5	80%	0.797	59%	0.593	S	S	*	*			trans	-86.9	28.4	-162.9	-94.4	-46.8	0	0	0	114.6	K87	D85-K87 PolarHBondContact O-N 2.92Å
86	D	37.1	Very low	40.4	Very low	92 Å²	92	108.5 Å²	108.5	49%	0.492	59%	0.589	S	S	.	*			trans	-69.8	131.1	-174.2	-57	-30.9	0	0	0	111.8	I84 K90	I84-D86 VanDerWaalsContact CG2-OD2 3.23Å; I84-D86 WeakPolarHBondContact CG2-OD2 3.43Å; I84-D86 PolarHBondContact O-N 2.87Å; I84-D86 VanDerWaalsContact O-N 3.11Å; D86-K90 PolarHBondContact O-NZ 3.02Å; D86-K90 VanDerWaalsContact O-NZ 3.08Å
87	K	39.6	Very low	40.3	Very low	166 Å²	166	107.2 Å²	107.2	72%	0.722	58%	0.58	S	S	*	*	S	Bend	trans	-87.5	-18.8	179.7	-67.9	172.1	-175.2	164.2	0	112.2	D85 I91	D85-K87 PolarHBondContact O-N 2.92Å; K87-I91 WeakPolarHBondContact O-CG1 3.38Å
88	E	36.7	Very low	40.4	Very low	122 Å²	122	105.5 Å²	105.5	57%	0.57	58%	0.58	S	S	*	*	H	α-helix	trans	-78.4	-41.7	-168	-61.7	-170.1	100.9	0	0	113.8	K90 I91 G92	E88-K90 PolarHBondContact O-N 3.3Å; E88-I91 WeakPolarHBondContact O-CA 3.31Å; E88-I91 WeakPolarHBondContact O-CB 3.22Å; E88-I91 PolarHBondContact O-N 3.1Å; E88-G92 PolarHBondContact O-N 3.3Å
89	T	40.3	Very low	41.1	Very low	99 Å²	99	107.4 Å²	107.4	61%	0.607	58%	0.579	S	S	*	*	H	α-helix	trans	-59.4	-31.2	176.3	51.2	0	0	0	0	112.6	I91	T89-I91 VanDerWaalsContact C-N 3.34Å
90	K	41.2	Very low	41.5	Very low	114 Å²	114	106.2 Å²	106.2	50%	0.496	56%	0.562	S	S	.	*	H	α-helix	trans	-67.1	-32.8	172.8	-67.8	168.2	-172.7	114.7	0	112.5	D86 E88	D86-K90 PolarHBondContact O-NZ 3.02Å; D86-K90 VanDerWaalsContact O-NZ 3.08Å; E88-K90 PolarHBondContact O-N 3.3Å
91	I	39.2	Very low	42.3	Very low	90 Å²	90	101.1 Å²	101.1	46%	0.462	54%	0.544	S	S	.	.	H	α-helix	trans	-80.3	-28.1	-176.8	-66.4	168	0	0	0	111.6	K87 E88 T89 K95	K87-I91 WeakPolarHBondContact O-CG1 3.38Å; E88-I91 WeakPolarHBondContact O-CA 3.31Å; E88-I91 WeakPolarHBondContact O-CB 3.22Å; E88-I91 PolarHBondContact O-N 3.1Å; T89-I91 VanDerWaalsContact C-N 3.34Å; I91-K95 HydrophobicContact CG2-CD 4.03Å; I91-K95 WeakPolarHBondContact O-CD 3.14Å; I91-K95 VanDerWaalsContact O-CG 3.3Å; I91-K95 WeakPolarHBondContact O-CG 3.15Å
92	G	46.2	Very low	43.7	Very low	33 Å²	33	100.9 Å²	100.9	34%	0.34	54%	0.536	S	S	.	.	H	α-helix	trans	-64.7	-50.3	175.5	0	0	0	0	0	113.4	E88 K95 M96	E88-G92 PolarHBondContact O-N 3.3Å; G92-K95 PolarHBondContact O-N 2.93Å; G92-M96 WeakPolarHBondContact O-CG 3.47Å; G92-M96 PolarHBondContact O-N 3.47Å
93	I	42.6	Very low	44.4	Very low	80 Å²	80	104.2 Å²	104.2	41%	0.41	54%	0.536	S	S	.	.	H	α-helix	trans	-65.6	-47.3	-173.6	-61.3	173.5	0	0	0	111.7	K95 M96 I97	I93-K95 PolarHBondContact O-N 3.34Å; I93-M96 HydrophobicContact CG1-CE 4.29Å; I93-M96 PolarHBondContact O-N 3.04Å; I93-M96 VanDerWaalsContact O-N 3.12Å; I93-I97 HydrophobicContact CG2-CD1 4.07Å; I93-I97 WeakPolarHBondContact O-CG1 3.37Å; I93-I97 PolarHBondContact O-N 3.18Å
94	D	49.2	Very low	45.2	Very low	88 Å²	88	103.6 Å²	103.6	47%	0.471	51%	0.512	S	S	.	.	H	α-helix	trans	-67.5	-16.5	179.9	-74.2	-41.2	0	0	0	112.5	P98	D94-P98 WeakPolarHBondContact O-CD 3.39Å
95	K	59.6	Low	45.7	Very low	135 Å²	135	101.6 Å²	101.6	59%	0.587	51%	0.509	S	S	*	.	H	α-helix	trans	-87.7	-33.9	168.9	-73.2	175.9	179.9	174.6	0	113.8	I91 G92 I93 P98	I91-K95 HydrophobicContact CG2-CD 4.03Å; I91-K95 WeakPolarHBondContact O-CD 3.14Å; I91-K95 VanDerWaalsContact O-CG 3.3Å; I91-K95 WeakPolarHBondContact O-CG 3.15Å; G92-K95 PolarHBondContact O-N 2.93Å; I93-K95 PolarHBondContact O-N 3.34Å; K95-P98 WeakPolarHBondContact O-CD 3.34Å
96	M	47.2	Very low	46.6	Very low	121 Å²	121	101.3 Å²	101.3	60%	0.596	51%	0.508	S	S	*	.	H	α-helix	trans	-68	-34.7	177.5	-76.6	-168.3	-70.3	0	0	112.7	G92 I93 L99 Y100	G92-M96 WeakPolarHBondContact O-CG 3.47Å; G92-M96 PolarHBondContact O-N 3.47Å; I93-M96 HydrophobicContact CG1-CE 4.29Å; I93-M96 PolarHBondContact O-N 3.04Å; I93-M96 VanDerWaalsContact O-N 3.12Å; M96-L99 PolarHBondContact O-N 3.24Å; M96-Y100 WeakPolarHBondContact O-CB 3.25Å; M96-Y100 PolarHBondContact O-N 2.92Å
97	I	48.2	Very low	46.8	Very low	38 Å²	38	101.6 Å²	101.6	20%	0.195	51%	0.508	C	S	.	.	H	α-helix	trans	-59.4	-51.1	-178.4	-69.6	161.3	0	0	0	112.3	I93 L99 Y100 L101 L124	I93-I97 HydrophobicContact CG2-CD1 4.07Å; I93-I97 WeakPolarHBondContact O-CG1 3.37Å; I93-I97 PolarHBondContact O-N 3.18Å; I97-L99 PolarHBondContact O-N 3.34Å; I97-Y100 PolarHBondContact O-N 2.9Å; I97-L101 HydrophobicContact CG2-CD1 3.97Å; I97-L101 WeakPolarHBondContact O-CG 3.16Å; I97-L101 PolarHBondContact O-N 2.98Å; I97-L124 HydrophobicContact CD1-CD2 3.8Å; I97-L124 HydrophobicContact CG1-CD2 4.36Å; I97-L124 HydrophobicContact CG2-CD1 4.27Å
98	P	55.7	Low	46.8	Very low	75 Å²	75	100.2 Å²	100.2	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-59.1	-39.7	172.9	-27	34.8	0	0	0	114.4	D94 K95 L101 K102	D94-P98 WeakPolarHBondContact O-CD 3.39Å; K95-P98 WeakPolarHBondContact O-CD 3.34Å; P98-L101 PolarHBondContact O-N 2.95Å; P98-K102 WeakPolarHBondContact O-CB 3.5Å; P98-K102 PolarHBondContact O-N 3.49Å
99	L	52.8	Low	46.8	Very low	88 Å²	88	104.2 Å²	104.2	46%	0.461	52%	0.524	S	S	.	.	H	α-helix	trans	-65.1	-41.4	178.9	-70	171.2	0	0	0	111.6	M96 I97 K102 R103	M96-L99 PolarHBondContact O-N 3.24Å; I97-L99 PolarHBondContact O-N 3.34Å; L99-K102 PolarHBondContact O-N 3.45Å; L99-R103 WeakPolarHBondContact O-CB 3.33Å; L99-R103 PolarHBondContact O-N 2.9Å
100	Y	43.8	Very low	46.9	Very low	70 Å²	70	105.1 Å²	105.1	28%	0.275	53%	0.526	S	S	.	.	H	α-helix	trans	-66.9	-42.8	177.1	-166.2	-95.3	0	0	0	111.9	Y65 M96 I97 K102 R103 Q104 L120	Y65-Y100 WeakPolarHBondContact CD1-OH 3.48Å; Y65-Y100 HydrophobicContact CE1-CE2 4.42Å; Y65-Y100 WeakPolarHBondContact CE1-OH 3.33Å; M96-Y100 WeakPolarHBondContact O-CB 3.25Å; M96-Y100 PolarHBondContact O-N 2.92Å; I97-Y100 PolarHBondContact O-N 2.9Å; Y100-K102 PolarHBondContact O-N 3.44Å; Y100-R103 PolarHBondContact O-N 3.21Å; Y100-R103 VanDerWaalsContact O-N 3.16Å; Y100-Q104 HydrophobicContact CD1-CG 4.24Å; Y100-Q104 HydrophobicContact CE1-CG 4.11Å; Y100-Q104 WeakPolarHBondContact O-CG 3.45Å; Y100-Q104 PolarHBondContact O-N 3.31Å; Y100-L120 HydrophobicContact CD1-CD2 4.17Å; Y100-L120 HydrophobicContact CE1-CD2 4Å
101	L	52.7	Low	47.3	Very low	89 Å²	89	104.5 Å²	104.5	47%	0.466	54%	0.535	S	S	.	.	H	α-helix	trans	-61.4	-41.7	174	-71.9	167	0	0	0	112	I97 P98 R103 Q104 S105	I97-L101 HydrophobicContact CG2-CD1 3.97Å; I97-L101 WeakPolarHBondContact O-CG 3.16Å; I97-L101 PolarHBondContact O-N 2.98Å; P98-L101 PolarHBondContact O-N 2.95Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 2.93Å; L101-Q104 PolarHBondContact O-N 3.09Å; L101-S105 PolarHBondContact O-N 3.08Å
102	K	59.2	Low	47.8	Very low	163 Å²	163	105.1 Å²	105.1	71%	0.709	54%	0.539	S	S	*	.	H	α-helix	trans	-70.3	-20.8	175.6	-166.8	177	-179.9	-175	0	113.3	P98 L99 Y100 S105	P98-K102 WeakPolarHBondContact O-CB 3.5Å; P98-K102 PolarHBondContact O-N 3.49Å; L99-K102 PolarHBondContact O-N 3.45Å; Y100-K102 PolarHBondContact O-N 3.44Å; K102-S105 PolarHBondContact O-OG 3.3Å; K102-S105 VanDerWaalsContact O-OG 3.11Å
103	R	47.4	Very low	48.1	Very low	168 Å²	168	105.5 Å²	105.5	63%	0.634	54%	0.537	S	S	*	.	H	α-helix	trans	-83.4	-29.3	173.2	-149.9	174	-162	171.5	7.9	112.3	E11 L99 Y100 L101	E11-R103 IonicContact OE2-NH2 3.13Å; E11-R103 PolarHBondContact OE2-NH2 3.32Å; L99-R103 WeakPolarHBondContact O-CB 3.33Å; L99-R103 PolarHBondContact O-N 2.9Å; Y100-R103 PolarHBondContact O-N 3.21Å; Y100-R103 VanDerWaalsContact O-N 3.16Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 2.93Å
104	Q	44.9	Very low	48.8	Very low	66 Å²	66	106.2 Å²	106.2	31%	0.308	54%	0.539	S	S	.	.	H	α-helix	trans	-70.3	-32.3	176.1	-76.5	-78.9	-24.6	0	0	113.3	Y100 L101 N106 I107	Y100-Q104 HydrophobicContact CD1-CG 4.24Å; Y100-Q104 HydrophobicContact CE1-CG 4.11Å; Y100-Q104 WeakPolarHBondContact O-CG 3.45Å; Y100-Q104 PolarHBondContact O-N 3.31Å; L101-Q104 PolarHBondContact O-N 3.09Å; Q104-N106 PolarHBondContact O-N 2.89Å; Q104-I107 PolarHBondContact O-N 3.47Å
105	S	45.5	Very low	49.6	Very low	87 Å²	87	108.9 Å²	108.9	61%	0.608	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.5	-177.4	60.6	0	0	0	0	115.5	L101 K102	L101-S105 PolarHBondContact O-N 3.08Å; K102-S105 PolarHBondContact O-OG 3.3Å; K102-S105 VanDerWaalsContact O-OG 3.11Å
106	N	48.8	Very low	49.4	Very low	143 Å²	143	106.1 Å²	106.1	77%	0.765	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	7	-176.3	-66.5	20.6	0	0	0	112.9	Q104	Q104-N106 PolarHBondContact O-N 2.89Å
107	I	42.3	Very low	50	Low	98 Å²	98	106.1 Å²	106.1	50%	0.503	53%	0.531	S	S	.	.	S	Bend	trans	-100.9	145.4	176.8	-60.6	178.9	0	0	0	109	Q104	Q104-I107 PolarHBondContact O-N 3.47Å
108	N	39.3	Very low	51.1	Low	137 Å²	137	108.2 Å²	108.2	73%	0.733	54%	0.54	S	S	*	.			trans	-66.6	158.9	-167.1	-139.7	-13.3	0	0	0	113	D110	N108-D110 PolarHBondContact O-N 3.47Å
109	K	36.9	Very low	51.7	Low	206 Å²	206	109.3 Å²	109.3	90%	0.896	54%	0.537	S	S	*	.			trans	-74.8	55.7	-169	-64	-178.3	179.4	176.8	0	114.9
110	D	42.5	Very low	51.8	Low	119 Å²	119	107.5 Å²	107.5	64%	0.636	53%	0.528	S	S	*	.			trans	-72.9	129.8	170.9	-90.6	-40.3	0	0	0	111.5	N108 N112 S113	N108-D110 PolarHBondContact O-N 3.47Å; D110-N112 PolarHBondContact O-N 3.3Å; D110-S113 WeakPolarHBondContact O-CB 3.45Å; D110-S113 PolarHBondContact O-N 3.08Å; D110-S113 PolarHBondContact O-OG 2.78Å
111	S	49.1	Very low	52.9	Low	100 Å²	100	106.5 Å²	106.5	70%	0.699	53%	0.53	S	S	*	.	H	α-helix	trans	-63.5	-12.8	-178.8	59.8	0	0	0	0	114.4
112	N	50.9	Low	53.8	Low	103 Å²	103	109.7 Å²	109.7	55%	0.551	54%	0.536	S	S	*	.	H	α-helix	trans	-82.7	-26.2	172.7	-142.8	19.1	0	0	0	112.6	D110 E114 N116	D110-N112 PolarHBondContact O-N 3.3Å; N112-E114 VanDerWaalsContact C-N 3.35Å; N112-N116 PolarHBondContact O-N 3.48Å
113	S	51.3	Low	53.9	Low	41 Å²	41	104.2 Å²	104.2	29%	0.287	52%	0.515	S	S	.	.	H	α-helix	trans	-67.4	-36.7	174.3	73.4	0	0	0	0	111.7	D110 K115 N116 R117	D110-S113 WeakPolarHBondContact O-CB 3.45Å; D110-S113 PolarHBondContact O-N 3.08Å; D110-S113 PolarHBondContact O-OG 2.78Å; S113-K115 PolarHBondContact O-N 3.09Å; S113-N116 PolarHBondContact O-N 3.42Å; S113-N116 VanDerWaalsContact O-N 3.16Å; S113-R117 WeakPolarHBondContact O-CB 3.46Å; S113-R117 PolarHBondContact O-N 2.88Å
114	E	56.9	Low	54.3	Low	96 Å²	96	98.5 Å²	98.5	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-57.1	-45.7	176.5	-159.2	75.2	-97	0	0	111.9	N112 R117 E118	N112-E114 VanDerWaalsContact C-N 3.35Å; E114-R117 WeakPolarHBondContact O-CB 3.47Å; E114-R117 PolarHBondContact O-N 3.1Å; E114-R117 IonicContact OE1-CZ 2.68Å; E114-R117 IonicContact OE1-NE 3.34Å; E114-R117 PolarHBondContact OE1-NE 2.9Å; E114-R117 IonicContact OE1-NH2 3.64Å; E114-R117 PolarHBondContact OE1-NH2 3.37Å; E114-E118 PolarHBondContact O-N 2.99Å
115	K	67.6	Low	55.5	Low	143 Å²	143	101.4 Å²	101.4	62%	0.622	51%	0.51	S	S	*	.	H	α-helix	trans	-64.9	-40.1	176.5	-68.6	177.7	-179.7	172.5	0	112.2	S113 E118 K119	S113-K115 PolarHBondContact O-N 3.09Å; K115-E118 PolarHBondContact O-N 3.07Å; K115-K119 WeakPolarHBondContact O-CB 3.42Å; K115-K119 PolarHBondContact O-N 3.34Å
116	N	54.5	Low	56.4	Low	78 Å²	78	100.5 Å²	100.5	42%	0.417	50%	0.501	S	S	.	.	H	α-helix	trans	-70	-36.5	177.2	-73.8	-18.3	0	0	0	111.9	N112 S113 K119 L120	N112-N116 PolarHBondContact O-N 3.48Å; S113-N116 PolarHBondContact O-N 3.42Å; S113-N116 VanDerWaalsContact O-N 3.16Å; N116-K119 PolarHBondContact O-N 3.43Å; N116-L120 WeakPolarHBondContact O-CB 3.36Å; N116-L120 PolarHBondContact O-N 3.35Å
117	R	60.2	Low	56.4	Low	121 Å²	121	95 Å²	95	46%	0.457	48%	0.475	S	S	.	.	H	α-helix	trans	-59	-49.2	171.2	-173.1	-172.6	65.1	66.7	-0.9	110.7	S113 E114 L120 C121	S113-R117 WeakPolarHBondContact O-CB 3.46Å; S113-R117 PolarHBondContact O-N 2.88Å; E114-R117 WeakPolarHBondContact O-CB 3.47Å; E114-R117 PolarHBondContact O-N 3.1Å; E114-R117 IonicContact OE1-CZ 2.68Å; E114-R117 IonicContact OE1-NE 3.34Å; E114-R117 PolarHBondContact OE1-NE 2.9Å; E114-R117 IonicContact OE1-NH2 3.64Å; E114-R117 PolarHBondContact OE1-NH2 3.37Å; R117-L120 PolarHBondContact O-N 3.14Å; R117-C121 PolarHBondContact O-N 3.41Å; R117-C121 PolarHBondContact O-SG 3.36Å; R117-C121 VanDerWaalsContact O-SG 3.33Å
118	E	71.3	Confident	57.1	Low	81 Å²	81	98.5 Å²	98.5	38%	0.379	48%	0.482	S	S	.	.	H	α-helix	trans	-62.2	-46.1	175.2	-79.4	-164.3	-152.9	0	0	113.2	E114 K115 L120 C121 R122	E114-E118 PolarHBondContact O-N 2.99Å; K115-E118 PolarHBondContact O-N 3.07Å; E118-L120 VanDerWaalsContact C-N 3.29Å; E118-L120 PolarHBondContact O-N 3.2Å; E118-C121 PolarHBondContact O-N 3.05Å; E118-R122 WeakPolarHBondContact O-CG 3.37Å; E118-R122 PolarHBondContact O-N 3.19Å; E118-R122 IonicContact OE2-CZ 3.6Å; E118-R122 IonicContact OE2-NE 3.77Å; E118-R122 IonicContact OE2-NH2 2.67Å; E118-R122 PolarHBondContact OE2-NH2 3.49Å
119	K	69	Low	58.1	Low	99 Å²	99	95.1 Å²	95.1	43%	0.43	47%	0.469	S	S	.	.	H	α-helix	trans	-58.2	-43.2	178.2	-170.4	-172.9	173.9	-161.1	0	110.9	E73 K115 N116 L123	E73-K119 IonicContact OE1-NZ 3.3Å; K115-K119 WeakPolarHBondContact O-CB 3.42Å; K115-K119 PolarHBondContact O-N 3.34Å; N116-K119 PolarHBondContact O-N 3.43Å; K119-L123 HydrophobicContact CG-CD1 4.32Å; K119-L123 WeakPolarHBondContact O-CB 3.31Å; K119-L123 WeakPolarHBondContact O-CG 3.19Å; K119-L123 PolarHBondContact O-N 3.22Å
120	L	54.1	Low	58.8	Low	49 Å²	49	90.1 Å²	90.1	26%	0.257	45%	0.449	S	S	.	.	H	α-helix	trans	-65.3	-44.2	176.9	-173.5	66.2	0	0	0	112.2	Y100 N116 R117 E118 L123 L124	Y100-L120 HydrophobicContact CD1-CD2 4.17Å; Y100-L120 HydrophobicContact CE1-CD2 4Å; N116-L120 WeakPolarHBondContact O-CB 3.36Å; N116-L120 PolarHBondContact O-N 3.35Å; R117-L120 PolarHBondContact O-N 3.14Å; E118-L120 VanDerWaalsContact C-N 3.29Å; E118-L120 PolarHBondContact O-N 3.2Å; L120-L123 PolarHBondContact O-N 3.12Å; L120-L124 HydrophobicContact CG-CD1 4.16Å; L120-L124 WeakPolarHBondContact O-CB 3.41Å; L120-L124 WeakPolarHBondContact O-CG 3.49Å; L120-L124 PolarHBondContact O-N 3.12Å
121	C	66.9	Low	59	Low	49 Å²	49	90.3 Å²	90.3	33%	0.331	44%	0.444	S	S	.	.	H	α-helix	trans	-58.4	-50	175	-73.5	0	0	0	0	111.8	R117 E118 L123 L124 E125	R117-C121 PolarHBondContact O-N 3.41Å; R117-C121 PolarHBondContact O-SG 3.36Å; R117-C121 VanDerWaalsContact O-SG 3.33Å; E118-C121 PolarHBondContact O-N 3.05Å; C121-L123 VanDerWaalsContact C-N 3.31Å; C121-L123 PolarHBondContact O-N 3.06Å; C121-L124 PolarHBondContact O-N 2.82Å; C121-L124 VanDerWaalsContact O-N 3.16Å; C121-E125 WeakPolarHBondContact O-CG 3.4Å; C121-E125 PolarHBondContact O-N 3.06Å
122	R	70.8	Confident	58.9	Low	156 Å²	156	89 Å²	89	59%	0.589	43%	0.434	S	S	*	.	H	α-helix	trans	-61.3	-37.7	179.2	-64.9	175.1	-161.6	-159.4	7.3	112.3	E118 T126	E118-R122 WeakPolarHBondContact O-CG 3.37Å; E118-R122 PolarHBondContact O-N 3.19Å; E118-R122 IonicContact OE2-CZ 3.6Å; E118-R122 IonicContact OE2-NE 3.77Å; E118-R122 IonicContact OE2-NH2 2.67Å; E118-R122 PolarHBondContact OE2-NH2 3.49Å; R122-T126 WeakPolarHBondContact O-CB 3.45Å; R122-T126 PolarHBondContact O-N 3.12Å; R122-T126 PolarHBondContact O-OG1 3.38Å
123	L	61.5	Low	58.7	Low	49 Å²	49	87.7 Å²	87.7	26%	0.257	43%	0.434	S	S	.	.	H	α-helix	trans	-65.6	-44.2	174.1	-77.7	168.2	0	0	0	112.1	E73 K119 L120 C121 T126 A127	E73-L123 HydrophobicContact CG-CD1 4.22Å; K119-L123 HydrophobicContact CG-CD1 4.32Å; K119-L123 WeakPolarHBondContact O-CB 3.31Å; K119-L123 WeakPolarHBondContact O-CG 3.19Å; K119-L123 PolarHBondContact O-N 3.22Å; L120-L123 PolarHBondContact O-N 3.12Å; C121-L123 VanDerWaalsContact C-N 3.31Å; C121-L123 PolarHBondContact O-N 3.06Å; L123-T126 PolarHBondContact O-N 3.38Å; L123-A127 WeakPolarHBondContact O-CB 3.43Å; L123-A127 PolarHBondContact O-N 2.85Å
124	L	56.5	Low	58.3	Low	47 Å²	47	93.3 Å²	93.3	25%	0.246	45%	0.449	C	S	.	.	H	α-helix	trans	-66	-37.9	177.4	-72.9	171.5	0	0	0	112.5	I97 L120 C121 A127 R128	I97-L124 HydrophobicContact CD1-CD2 3.8Å; I97-L124 HydrophobicContact CG1-CD2 4.36Å; I97-L124 HydrophobicContact CG2-CD1 4.27Å; L120-L124 HydrophobicContact CG-CD1 4.16Å; L120-L124 WeakPolarHBondContact O-CB 3.41Å; L120-L124 WeakPolarHBondContact O-CG 3.49Å; L120-L124 PolarHBondContact O-N 3.12Å; C121-L124 PolarHBondContact O-N 2.82Å; C121-L124 VanDerWaalsContact O-N 3.16Å; L124-A127 PolarHBondContact O-N 3.23Å; L124-R128 WeakPolarHBondContact O-CB 3.49Å; L124-R128 VanDerWaalsContact O-CG 3.28Å; L124-R128 WeakPolarHBondContact O-CG 3.06Å; L124-R128 PolarHBondContact O-N 3.34Å
125	E	69.8	Low	57.6	Low	127 Å²	127	93.5 Å²	93.5	59%	0.593	45%	0.453	S	S	*	.	H	α-helix	trans	-67.5	-39.1	174	-71.6	177.6	142.2	0	0	111.9	C121 R128 S129	C121-E125 WeakPolarHBondContact O-CG 3.4Å; C121-E125 PolarHBondContact O-N 3.06Å; E125-R128 PolarHBondContact O-N 2.87Å; E125-S129 PolarHBondContact O-N 3.43Å
126	T	64.5	Low	56.5	Low	69 Å²	69	90.7 Å²	90.7	42%	0.423	45%	0.447	S	S	.	.	H	α-helix	trans	-63.3	-43.6	172.9	-56.3	0	0	0	0	111.5	R122 L123 R128 S129 Q130	R122-T126 WeakPolarHBondContact O-CB 3.45Å; R122-T126 PolarHBondContact O-N 3.12Å; R122-T126 PolarHBondContact O-OG1 3.38Å; L123-T126 PolarHBondContact O-N 3.38Å; T126-R128 VanDerWaalsContact C-N 3.35Å; T126-R128 PolarHBondContact O-N 3.48Å; T126-S129 PolarHBondContact O-N 3.24Å; T126-S129 PolarHBondContact O-OG 2.8Å; T126-S129 VanDerWaalsContact O-OG 3.06Å; T126-Q130 WeakPolarHBondContact O-CG 3.23Å; T126-Q130 PolarHBondContact O-N 3.48Å; T126-Q130 VanDerWaalsContact O-N 3.09Å
127	A	47.8	Very low	55.8	Low	27 Å²	27	92 Å²	92	22%	0.223	45%	0.454	C	S	.	.	H	α-helix	trans	-62.6	-40.7	175	0	0	0	0	0	111.8	V76 L123 L124 K131	V76-A127 HydrophobicContact CG1-CB 4.04Å; L123-A127 WeakPolarHBondContact O-CB 3.43Å; L123-A127 PolarHBondContact O-N 2.85Å; L124-A127 PolarHBondContact O-N 3.23Å; A127-K131 WeakPolarHBondContact O-CB 3.43Å; A127-K131 PolarHBondContact O-N 3.41Å; A127-K131 VanDerWaalsContact O-N 3.09Å
128	R	58	Low	54.9	Low	172 Å²	172	91.6 Å²	91.6	65%	0.649	46%	0.459	S	S	*	.	H	α-helix	trans	-65.3	-43.5	175.8	-77.2	172.6	172.1	-170.8	-3	112.6	L124 E125 T126 K131 S132	L124-R128 WeakPolarHBondContact O-CB 3.49Å; L124-R128 VanDerWaalsContact O-CG 3.28Å; L124-R128 WeakPolarHBondContact O-CG 3.06Å; L124-R128 PolarHBondContact O-N 3.34Å; E125-R128 PolarHBondContact O-N 2.87Å; T126-R128 VanDerWaalsContact C-N 3.35Å; T126-R128 PolarHBondContact O-N 3.48Å; R128-K131 WeakPolarHBondContact O-CB 3.32Å; R128-K131 PolarHBondContact O-N 2.97Å; R128-S132 PolarHBondContact O-N 3.1Å
129	S	60.3	Low	53.5	Low	65 Å²	65	96.4 Å²	96.4	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-66.4	-41.2	179.7	72.6	0	0	0	0	112	E125 T126 K131 S132 S133	E125-S129 PolarHBondContact O-N 3.43Å; T126-S129 PolarHBondContact O-N 3.24Å; T126-S129 PolarHBondContact O-OG 2.8Å; T126-S129 VanDerWaalsContact O-OG 3.06Å; S129-K131 PolarHBondContact O-N 3.34Å; S129-S132 WeakPolarHBondContact O-CB 3.34Å; S129-S132 PolarHBondContact O-N 3.04Å; S129-S132 VanDerWaalsContact O-N 3.15Å; S129-S133 PolarHBondContact O-N 3.16Å; S129-S133 PolarHBondContact O-OG 3.36Å
130	Q	51.7	Low	52.4	Low	101 Å²	101	100.3 Å²	100.3	47%	0.472	50%	0.496	S	S	.	.	H	α-helix	trans	-65.3	-35.8	174.1	-67.8	-170.4	17.7	0	0	113	T126 S132 S133 R134	T126-Q130 WeakPolarHBondContact O-CG 3.23Å; T126-Q130 PolarHBondContact O-N 3.48Å; T126-Q130 VanDerWaalsContact O-N 3.09Å; Q130-S132 VanDerWaalsContact C-N 3.32Å; Q130-S132 PolarHBondContact O-N 2.79Å; Q130-S133 PolarHBondContact O-N 3.12Å; Q130-R134 PolarHBondContact O-N 3.42Å
131	K	47.1	Very low	51.7	Low	123 Å²	123	104.9 Å²	104.9	54%	0.535	52%	0.52	S	S	.	.	H	α-helix	trans	-60.3	-41.4	170.9	-126.3	173	-178.6	178.3	0	111.1	A127 R128 S129 N135	A127-K131 WeakPolarHBondContact O-CB 3.43Å; A127-K131 PolarHBondContact O-N 3.41Å; A127-K131 VanDerWaalsContact O-N 3.09Å; R128-K131 WeakPolarHBondContact O-CB 3.32Å; R128-K131 PolarHBondContact O-N 2.97Å; S129-K131 PolarHBondContact O-N 3.34Å; K131-N135 PolarHBondContact O-N 3.44Å
132	S	47.2	Very low	50.2	Low	72 Å²	72	112 Å²	112	50%	0.503	55%	0.545	S	S	.	.	H	α-helix	trans	-63.3	-50.3	177.5	-165	0	0	0	0	112.1	R128 S129 Q130 R134 N135 T136	R128-S132 PolarHBondContact O-N 3.1Å; S129-S132 WeakPolarHBondContact O-CB 3.34Å; S129-S132 PolarHBondContact O-N 3.04Å; S129-S132 VanDerWaalsContact O-N 3.15Å; Q130-S132 VanDerWaalsContact C-N 3.32Å; Q130-S132 PolarHBondContact O-N 2.79Å; S132-R134 VanDerWaalsContact C-N 3.32Å; S132-R134 PolarHBondContact O-N 2.96Å; S132-N135 PolarHBondContact O-N 3.43Å; S132-N135 VanDerWaalsContact O-N 3.1Å; S132-T136 PolarHBondContact O-N 2.95Å; S132-T136 PolarHBondContact O-OG1 3.16Å
133	S	46.8	Very low	48.4	Very low	76 Å²	76	107.4 Å²	107.4	53%	0.531	55%	0.547	S	S	.	.	H	α-helix	trans	-59.4	-38	179.6	-64.4	0	0	0	0	113.3	S129 Q130 T136 I137	S129-S133 PolarHBondContact O-N 3.16Å; S129-S133 PolarHBondContact O-OG 3.36Å; Q130-S133 PolarHBondContact O-N 3.12Å; S133-T136 PolarHBondContact O-N 3.09Å; S133-I137 WeakPolarHBondContact O-CG1 3.49Å; S133-I137 PolarHBondContact O-N 2.82Å
134	R	41.6	Very low	47.1	Very low	160 Å²	160	111.3 Å²	111.3	60%	0.604	58%	0.578	S	S	*	*	H	α-helix	trans	-65.3	-39.6	175.1	-80	-179.1	168.5	145.3	-0.1	112.7	Q130 S132 T136 I137 I138	Q130-R134 PolarHBondContact O-N 3.42Å; S132-R134 VanDerWaalsContact C-N 3.32Å; S132-R134 PolarHBondContact O-N 2.96Å; R134-T136 VanDerWaalsContact C-N 3.33Å; R134-T136 PolarHBondContact O-N 3.13Å; R134-I137 PolarHBondContact O-N 2.74Å; R134-I138 WeakPolarHBondContact O-CG1 3.38Å; R134-I138 PolarHBondContact O-N 2.95Å
135	N	42.6	Very low	46.1	Very low	100 Å²	100	113.2 Å²	113.2	54%	0.535	60%	0.6	S	S	.	*	H	α-helix	trans	-65.4	-33.5	177.9	-77.3	-20.5	0	0	0	113.2	K131 S132 K139	K131-N135 PolarHBondContact O-N 3.44Å; S132-N135 PolarHBondContact O-N 3.43Å; S132-N135 VanDerWaalsContact O-N 3.1Å; N135-K139 PolarHBondContact O-N 3.25Å
136	T	43.5	Very low	44.3	Very low	83 Å²	83	112.5 Å²	112.5	51%	0.509	61%	0.609	S	S	.	*	H	α-helix	trans	-69.8	-34.7	176.9	-54.6	0	0	0	0	112.5	S132 S133 R134	S132-T136 PolarHBondContact O-N 2.95Å; S132-T136 PolarHBondContact O-OG1 3.16Å; S133-T136 PolarHBondContact O-N 3.09Å; R134-T136 VanDerWaalsContact C-N 3.33Å; R134-T136 PolarHBondContact O-N 3.13Å
137	I	41.5	Very low	42.9	Very low	107 Å²	107	121.2 Å²	121.2	55%	0.549	63%	0.634	S	S	.	*	H	α-helix	trans	-70.9	-45.2	177.6	-65.8	167.1	0	0	0	110.8	S133 R134 K139 K140 L141	S133-I137 WeakPolarHBondContact O-CG1 3.49Å; S133-I137 PolarHBondContact O-N 2.82Å; R134-I137 PolarHBondContact O-N 2.74Å; I137-K139 VanDerWaalsContact C-N 3.26Å; I137-K139 PolarHBondContact O-N 2.67Å; I137-K140 PolarHBondContact O-N 3.04Å; I137-L141 HydrophobicContact CG2-CD1 4.37Å
138	I	41.3	Very low	42.2	Very low	112 Å²	112	129.5 Å²	129.5	57%	0.574	67%	0.665	S	S	*	*	H	α-helix	trans	-63.3	-32.4	-179.1	-66.3	167.7	0	0	0	111.7	R134 K140	R134-I138 WeakPolarHBondContact O-CG1 3.38Å; R134-I138 PolarHBondContact O-N 2.95Å; I138-K140 VanDerWaalsContact C-N 3.34Å; I138-K140 PolarHBondContact O-N 3.16Å
139	K	41.8	Very low	41.1	Very low	182 Å²	182	129.6 Å²	129.6	79%	0.791	68%	0.677	S	S	*	*	H	α-helix	trans	-71.7	-20.3	174.6	-75	-174.8	176.7	-175.7	0	114.5	N135 I137	N135-K139 PolarHBondContact O-N 3.25Å; I137-K139 VanDerWaalsContact C-N 3.26Å; I137-K139 PolarHBondContact O-N 2.67Å
140	K	45	Very low	39.8	Very low	180 Å²	180	137.8 Å²	137.8	78%	0.783	70%	0.698	S	S	*	*	H	α-helix	trans	-87.4	-11	177.9	-76.5	-166.5	173.6	-171.7	0	114.6	I137 I138	I137-K140 PolarHBondContact O-N 3.04Å; I138-K140 VanDerWaalsContact C-N 3.34Å; I138-K140 PolarHBondContact O-N 3.16Å
141	L	40.5	Very low	38.9	Very low	145 Å²	145	138.9 Å²	138.9	76%	0.759	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	15.6	-178.6	-82.4	160.3	0	0	0	114.1	I137	I137-L141 HydrophobicContact CG2-CD1 4.37Å
142	K	34.8	Very low	38.3	Very low	198 Å²	198	137.9 Å²	137.9	86%	0.861	73%	0.729	S	S	*	*	S	Bend	trans	-118.5	28.1	-172.4	-129.7	179.1	-174.3	-176.6	0	114.9
143	G	32	Very low	37.5	Very low	61 Å²	61	140.8 Å²	140.8	63%	0.629	74%	0.743	S	S	*	*			trans	-138.5	152.1	173.2	0	0	0	0	0	111.2
144	S	35.3	Very low	36.9	Very low	130 Å²	130	142.9 Å²	142.9	91%	0.909	76%	0.758	S	S	*	*			trans	62.3	124.9	-172.3	-57	0	0	0	0	114.7
145	A	34.3	Very low	36.5	Very low	87 Å²	87	143.4 Å²	143.4	72%	0.719	77%	0.767	S	S	*	*			cis	153.6	99.4	-5.2	0	0	0	0	0	106
146	S	32	Very low	36	Very low	112 Å²	112	142 Å²	142	78%	0.783	78%	0.776	S	S	*	*			trans	42.7	111.6	132.9	-54.2	0	0	0	0	120.7
147	R	35.8	Very low	35.2	Very low	252 Å²	252	147.9 Å²	147.9	95%	0.951	80%	0.795	S	S	*	*				-153.7	156	121.8	-118	166.1	-72.7	-166.8	1.7	112
148	K	32.8	Very low	34.8	Very low	201 Å²	201	149.1 Å²	149.1	87%	0.874	81%	0.807	S	S	*	*			trans	-110.9	141.3	-171.6	-57.9	172.8	-179.7	176.4	0	110.6
149	I	35.8	Very low	34.6	Very low	174 Å²	174	153.4 Å²	153.4	89%	0.892	82%	0.822	S	S	*	*			trans	-131.7	148.5	152.6	-63.1	-175	0	0	0	107.1
150	R	33.5	Very low	34	Very low	238 Å²	238	154 Å²	154	90%	0.898	83%	0.827	S	S	*	*			trans	-89.1	157	-168.4	-76.3	-175.9	174.5	-171.2	-1.2	113.5
151	P	32.4	Very low	33.3	Very low	123 Å²	123	152.8 Å²	152.8	80%	0.799	83%	0.827	S	S	*	*			trans	-85.8	166.2	175.5	36.7	-36.5	0	0	0	113.1
152	A	33.7	Very low	32.9	Very low	103 Å²	103	157 Å²	157	85%	0.851	83%	0.833	S	S	*	*			trans	-129.6	149.8	159.7	0	0	0	0	0	108.8
153	V	30.2	Very low	32.4	Very low	132 Å²	132	159.4 Å²	159.4	80%	0.8	84%	0.837	S	S	*	*			trans	-111.6	137.6	-167.1	176.1	0	0	0	0	111.4
154	S	34.9	Very low	32.5	Very low	120 Å²	120	161.9 Å²	161.9	84%	0.839	84%	0.839	S	S	*	*			trans	-150.9	140.5	151.4	-172.6	0	0	0	0	108.6
155	Q	32.2	Very low	32.2	Very low	172 Å²	172	163.7 Å²	163.7	80%	0.804	83%	0.833	S	S	*	*			trans	-101.5	143.3	-173.1	-69.6	173.6	-36.9	0	0	111.4
156	G	31.9	Very low	31.8	Very low	69 Å²	69	164.5 Å²	164.5	71%	0.711	83%	0.833	S	S	*	*			trans	-152.1	110.6	172.4	0	0	0	0	0	110.5	T158	G156-T158 PolarHBondContact O-N 2.88Å
157	F	27	Very low	31.8	Very low	207 Å²	207	168 Å²	168	91%	0.908	83%	0.834	S	S	*	*			trans	-65.7	126.8	-177.1	-85.6	-111.1	0	0	0	111.6
158	T	34.1	Very low	31.5	Very low	133 Å²	133	163.3 Å²	163.3	82%	0.816	83%	0.828	S	S	*	*			trans	-133.1	137.8	160.6	48.4	0	0	0	0	109.5	G156	G156-T158 PolarHBondContact O-N 2.88Å
159	K	37.6	Very low	31.4	Very low	203 Å²	203	157.3 Å²	157.3	88%	0.883	82%	0.824	S	S	*	*			trans	-76.3	144.9	-173.6	-65.5	-180	178.3	-179.6	0	110.9	I161	K159-I161 PolarHBondContact O-N 2.8Å
160	H	27.8	Very low	31.1	Very low	195 Å²	195	158.5 Å²	158.5	90%	0.903	82%	0.822	S	S	*	*			trans	-66.3	98.3	179.5	-84	-89.6	0	0	0	112.4	R162	H160-R162 PolarHBondContact O-N 3.36Å
161	I	31.5	Very low	30.9	Very low	153 Å²	153	152.6 Å²	152.6	79%	0.785	82%	0.817	S	S	*	*			trans	-75.8	116.7	162.4	-61.6	173.8	0	0	0	107.9	K159 R163	K159-I161 PolarHBondContact O-N 2.8Å; I161-R163 PolarHBondContact O-N 2.71Å
162	R	30.6	Very low	30.6	Very low	235 Å²	235	152.7 Å²	152.7	89%	0.887	81%	0.807	S	S	*	*			trans	-65.1	113	170.7	-72	-174.9	178.7	-173.7	0.3	108.5	H160 V164	H160-R162 PolarHBondContact O-N 3.36Å; R162-V164 PolarHBondContact O-N 3.41Å; R162-V164 VanDerWaalsContact O-N 3.14Å
163	R	25.7	Very low	30.4	Very low	248 Å²	248	157.3 Å²	157.3	94%	0.936	81%	0.808	S	S	*	*			trans	-68.6	107.9	171.1	-74.6	-177.6	177.8	157.9	0.2	109.6	I161	I161-R163 PolarHBondContact O-N 2.71Å
164	V	32.7	Very low	30.3	Very low	112 Å²	112	153.6 Å²	153.6	68%	0.679	79%	0.788	S	S	*	*			trans	-70	149.5	164.5	-177.3	0	0	0	0	108.8	R162	R162-V164 PolarHBondContact O-N 3.41Å; R162-V164 VanDerWaalsContact O-N 3.14Å
165	Q	29.9	Very low	29.9	Very low	168 Å²	168	151.9 Å²	151.9	79%	0.785	77%	0.774	S	S	*	*			trans	-88.5	115.8	-165.6	-172.3	170	-7.6	0	0	111.9	F167	Q165-F167 PolarHBondContact O-N 3.16Å
166	C	26.1	Very low	29.8	Very low	104 Å²	104	147.2 Å²	147.2	70%	0.703	76%	0.757	S	S	*	*			trans	-63.5	122.7	-178.1	-51.7	0	0	0	0	112.5	N168	C166-N168 PolarHBondContact O-N 2.82Å; C166-N168 VanDerWaalsContact O-N 3.09Å
167	F	32.4	Very low	29.8	Very low	186 Å²	186	149.4 Å²	149.4	82%	0.816	75%	0.752	S	S	*	*			trans	-71.8	99.3	171.3	-88.8	-91.4	0	0	0	111.3	Q165	Q165-F167 PolarHBondContact O-N 3.16Å
168	N	28.9	Very low	30.1	Very low	153 Å²	153	147.7 Å²	147.7	82%	0.818	75%	0.747	S	S	*	*			trans	-148.9	86.7	172	-164.8	10.6	0	0	0	110.7	C166	C166-N168 PolarHBondContact O-N 2.82Å; C166-N168 VanDerWaalsContact O-N 3.09Å
169	G	30.9	Very low	30.8	Very low	76 Å²	76	145.6 Å²	145.6	78%	0.784	72%	0.724	S	S	*	*			trans	-151.5	127.7	-179.3	0	0	0	0	0	111.1
170	K	29.9	Very low	31.3	Very low	199 Å²	199	137.4 Å²	137.4	87%	0.865	69%	0.691	S	S	*	*			trans	-88.3	131	174.1	-64	178.8	-177.9	178.7	0	109.3
171	S	27.5	Very low	32.8	Very low	114 Å²	114	130.7 Å²	130.7	80%	0.797	67%	0.666	S	S	*	*			trans	47.8	95.9	157.2	62.1	0	0	0	0	117.7
172	E	27.4	Very low	34.4	Very low	124 Å²	124	124.1 Å²	124.1	58%	0.579	63%	0.634	S	S	*	*			trans	-141.2	152.7	136.1	-125.1	168.3	-175	0	0	109.4	S174	E172-S174 PolarHBondContact O-N 2.85Å
173	K	28.5	Very low	36.3	Very low	201 Å²	201	118.5 Å²	118.5	87%	0.874	62%	0.618	S	S	*	*			trans	-85.9	100.7	-155.5	-64.8	178.2	179.8	-179.6	0	112.7
174	S	27.8	Very low	38.8	Very low	53 Å²	53	109.6 Å²	109.6	37%	0.371	59%	0.589	S	S	.	*			trans	-102.3	149.8	162.2	106.4	0	0	0	0	110.6	E172 D177	E172-S174 PolarHBondContact O-N 2.85Å; S174-D177 WeakPolarHBondContact CB-OD2 3.44Å; S174-D177 PolarHBondContact OG-OD2 2.78Å
175	P	27.8	Very low	41.4	Very low	84 Å²	84	104.4 Å²	104.4	55%	0.545	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.9	135.6	176.6	30.5	-32.1	0	0	0	111.8
176	V	29.4	Very low	44.4	Very low	75 Å²	75	96.4 Å²	96.4	46%	0.455	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	36.2	176.1	-149.3	0	0	0	0	116.3	H178 W179	V176-H178 PolarHBondContact O-N 3.14Å; V176-W179 HydrophobicContact CG1-CZ2 3.82Å; V176-W179 VanDerWaalsContact O-CD1 3.3Å; V176-W179 PolarHBondContact O-NE1 2.89Å
177	D	32.9	Very low	47.6	Very low	114 Å²	114	91.5 Å²	91.5	61%	0.61	49%	0.487	S	S	*	.			trans	-75	29.7	164.6	-78.4	-57.1	0	0	0	114.1	S174	S174-D177 WeakPolarHBondContact CB-OD2 3.44Å; S174-D177 PolarHBondContact OG-OD2 2.78Å
178	H	33	Very low	50.3	Low	172 Å²	172	82.7 Å²	82.7	80%	0.796	45%	0.449	S	S	*	.			trans	-111.5	19.2	-174.3	-59.2	117	0	0	0	114.4	V176	V176-H178 PolarHBondContact O-N 3.14Å
179	W	49.4	Very low	53.3	Low	89 Å²	89	76.1 Å²	76.1	34%	0.337	41%	0.414	S	S	.	.	S	Bend	trans	-71.3	130.4	168.6	-55.3	103.8	0	0	0	109	V176 S181 F305	V176-W179 HydrophobicContact CG1-CZ2 3.82Å; V176-W179 VanDerWaalsContact O-CD1 3.3Å; V176-W179 PolarHBondContact O-NE1 2.89Å; W179-S181 PolarHBondContact O-N 3.25Å; W179-F305 HydrophobicContact CE3-CD1 4.05Å; W179-F305 HydrophobicContact CE3-CG 4.47Å; W179-F305 HydrophobicContact CZ3-CB 4.05Å; W179-F305 AromaticContact CZ3-CD1 3.76Å; W179-F305 HydrophobicContact CZ3-CD1 3.76Å; W179-F305 HydrophobicContact CZ3-CD2 4.28Å; W179-F305 HydrophobicContact CZ3-CE1 4.3Å; W179-F305 AromaticContact CZ3-CG 3.77Å; W179-F305 HydrophobicContact CZ3-CG 3.77Å
180	P	48	Very low	56.2	Low	30 Å²	30	72.5 Å²	72.5	20%	0.195	38%	0.376	C	S	.	.			trans	-64	115.2	-160.8	20.4	-32.2	0	0	0	113.1	N184 T309	P180-N184 HydrophobicContact CB-CB 4.48Å; P180-N184 WeakPolarHBondContact CB-ND2 3.42Å; P180-T309 HydrophobicContact CB-CG2 4Å; P180-T309 HydrophobicContact CG-CG2 3.86Å
181	S	59.5	Low	59	Low	54 Å²	54	63.1 Å²	63.1	38%	0.378	34%	0.336	S	S	.	.			trans	-47.1	162	164.6	176	0	0	0	0	112.3	W179 E183 N184	W179-S181 PolarHBondContact O-N 3.25Å; S181-E183 WeakPolarHBondContact CB-OE1 3.49Å; S181-E183 PolarHBondContact O-N 3.47Å; S181-E183 PolarHBondContact OG-OE1 3.4Å; S181-N184 PolarHBondContact O-N 2.93Å
182	S	65	Low	61.8	Low	15 Å²	15	59.2 Å²	59.2	11%	0.105	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-58.8	-0.6	177.8	48.5	0	0	0	0	115.5	N184 G185 W215 W232	S182-N184 PolarHBondContact O-N 3.15Å; S182-G185 PolarHBondContact O-N 3.2Å; S182-W215 PolarHBondContact OG-NE1 3.01Å; S182-W215 VanDerWaalsContact OG-NE1 3.15Å; S182-W232 WeakPolarHBondContact O-CZ2 3.3Å
183	E	70.1	Confident	64.8	Low	118 Å²	118	54.9 Å²	54.9	55%	0.551	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-57.2	-35.3	168.4	-70.7	146	-119.5	0	0	112.2	S181 G185	S181-E183 WeakPolarHBondContact CB-OE1 3.49Å; S181-E183 PolarHBondContact O-N 3.47Å; S181-E183 PolarHBondContact OG-OE1 3.4Å; E183-G185 VanDerWaalsContact C-N 3.27Å; E183-G185 PolarHBondContact O-N 3.02Å
184	N	77.1	Confident	67.6	Low	61 Å²	61	45.3 Å²	45.3	33%	0.326	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-87.3	24.6	-178.2	-71.5	-28	0	0	0	114.6	P180 S181 S182 C188 T309 T313	P180-N184 HydrophobicContact CB-CB 4.48Å; P180-N184 WeakPolarHBondContact CB-ND2 3.42Å; S181-N184 PolarHBondContact O-N 2.93Å; S182-N184 PolarHBondContact O-N 3.15Å; N184-C188 HydrophobicContact CB-CB 3.88Å; N184-C188 PolarHBondContact O-SG 3.32Å; N184-T309 HydrophobicContact CB-CG2 4.2Å; N184-T309 WeakPolarHBondContact ND2-CG2 3.17Å; N184-T313 PolarHBondContact O-OG1 2.81Å
185	G	87.8	Confident	70.1	Confident	3 Å²	3	43.1 Å²	43.1	3%	0.031	24%	0.235	C	C	.	.			trans	87.1	173.1	174.3	0	0	0	0	0	115.7	S182 E183 F187 C188 L189	S182-G185 PolarHBondContact O-N 3.2Å; E183-G185 VanDerWaalsContact C-N 3.27Å; E183-G185 PolarHBondContact O-N 3.02Å; G185-F187 PolarHBondContact O-N 3.22Å; G185-C188 PolarHBondContact O-N 3.13Å; G185-L189 PolarHBondContact O-N 3.22Å
186	F	92.3	Very high	72.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-38.8	-170.4	-170.5	-124	0	0	0	113.4	C188 L189 L190 V212 W232 W239 A246 F316	F186-C188 VanDerWaalsContact C-N 3.31Å; F186-C188 PolarHBondContact O-N 3.26Å; F186-L189 HydrophobicContact CD2-CD2 4.13Å; F186-L189 HydrophobicContact CE2-CD2 4.31Å; F186-L189 WeakPolarHBondContact O-CB 3.4Å; F186-L189 PolarHBondContact O-N 3.49Å; F186-L189 VanDerWaalsContact O-N 3.16Å; F186-L190 HydrophobicContact CD1-CD1 4.01Å; F186-L190 HydrophobicContact CD1-CG 4.38Å; F186-L190 HydrophobicContact CE1-CD1 3.75Å; F186-L190 HydrophobicContact CE1-CD2 4.31Å; F186-L190 HydrophobicContact CE1-CG 4.14Å; F186-L190 HydrophobicContact CE2-CD2 4.37Å; F186-L190 HydrophobicContact CZ-CD1 4.26Å; F186-L190 HydrophobicContact CZ-CD2 3.97Å; F186-L190 HydrophobicContact CZ-CG 4.21Å; F186-L190 WeakPolarHBondContact O-CG 3.42Å; F186-L190 PolarHBondContact O-N 3.17Å; F186-V212 HydrophobicContact CE2-CG1 4.13Å; F186-V212 HydrophobicContact CE2-CG2 4.15Å; F186-V212 HydrophobicContact CZ-CG1 4.46Å; F186-V212 HydrophobicContact CZ-CG2 4.3Å; F186-W232 HydrophobicContact CB-CE3 4.36Å; F186-W232 HydrophobicContact CB-CH2 3.89Å; F186-W232 HydrophobicContact CB-CZ3 3.69Å; F186-W232 HydrophobicContact CD2-CH2 4.03Å; F186-W232 AromaticContact CD2-CZ3 3.99Å; F186-W232 HydrophobicContact CD2-CZ3 3.99Å; F186-W232 HydrophobicContact CG-CH2 4.46Å; F186-W232 HydrophobicContact CG-CZ3 4.23Å; F186-W239 HydrophobicContact CB-CE3 4.15Å; F186-W239 HydrophobicContact CB-CZ3 3.87Å; F186-W239 AromaticContact CD1-CE3 3.72Å; F186-W239 HydrophobicContact CD1-CE3 3.72Å; F186-W239 AromaticContact CD1-CZ3 3.81Å; F186-W239 HydrophobicContact CD1-CZ3 3.81Å; F186-W239 HydrophobicContact CD2-CD2 4.15Å; F186-W239 AromaticContact CD2-CE3 3.52Å; F186-W239 HydrophobicContact CD2-CE3 3.52Å; F186-W239 HydrophobicContact CD2-CZ3 4.13Å; F186-W239 AromaticContact CE1-CE3 3.9Å; F186-W239 HydrophobicContact CE1-CE3 3.9Å; F186-W239 HydrophobicContact CE1-CZ3 4.36Å; F186-W239 HydrophobicContact CE2-CB 3.91Å; F186-W239 HydrophobicContact CE2-CD2 4.28Å; F186-W239 AromaticContact CE2-CE3 3.73Å; F186-W239 HydrophobicContact CE2-CE3 3.73Å; F186-W239 HydrophobicContact CE2-CG 4.37Å; F186-W239 AromaticContact CG-CE3 3.52Å; F186-W239 HydrophobicContact CG-CE3 3.52Å; F186-W239 AromaticContact CG-CZ3 3.68Å; F186-W239 HydrophobicContact CG-CZ3 3.68Å; F186-W239 HydrophobicContact CZ-CB 4.29Å; F186-W239 AromaticContact CZ-CE3 3.92Å; F186-W239 HydrophobicContact CZ-CE3 3.92Å; F186-A246 HydrophobicContact CD1-CB 3.98Å; F186-A246 HydrophobicContact CE1-CB 3.72Å; F186-F316 HydrophobicContact CB-CD2 3.86Å; F186-F316 HydrophobicContact CB-CE2 3.34Å; F186-F316 HydrophobicContact CB-CZ 3.8Å
187	F	93.7	Very high	73.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.5	-33.3	-179.9	-57.5	-18.6	0	0	0	112.5	G185 L190 R191 A246 F249 L250 L312 L315 F316 W319	G185-F187 PolarHBondContact O-N 3.22Å; F187-L190 PolarHBondContact O-N 2.94Å; F187-R191 PolarHBondContact O-N 3.41Å; F187-A246 HydrophobicContact CD1-CB 4.35Å; F187-A246 HydrophobicContact CE1-CB 3.87Å; F187-F249 HydrophobicContact CE2-CD1 4.14Å; F187-F249 HydrophobicContact CE2-CE1 4.03Å; F187-F249 AromaticContact CZ-CD1 3.86Å; F187-F249 HydrophobicContact CZ-CD1 3.86Å; F187-F249 HydrophobicContact CZ-CE1 4.12Å; F187-L250 HydrophobicContact CB-CD1 4.08Å; F187-L250 HydrophobicContact CB-CD2 4.47Å; F187-L250 HydrophobicContact CD1-CD1 3.87Å; F187-L250 HydrophobicContact CD1-CG 4.41Å; F187-L250 HydrophobicContact CD2-CD2 3.96Å; F187-L250 HydrophobicContact CE1-CD1 4.45Å; F187-L250 HydrophobicContact CE2-CD2 4.31Å; F187-L250 HydrophobicContact CG-CD1 3.94Å; F187-L250 HydrophobicContact CG-CD2 4.14Å; F187-L250 HydrophobicContact CG-CG 4.37Å; F187-L312 HydrophobicContact CB-CB 4.38Å; F187-L312 HydrophobicContact CB-CD2 4.03Å; F187-L315 HydrophobicContact CE2-CD2 4.39Å; F187-L315 HydrophobicContact CE2-CG 4.12Å; F187-F316 HydrophobicContact CD1-CD2 4.13Å; F187-F316 HydrophobicContact CD2-CB 3.62Å; F187-F316 HydrophobicContact CD2-CD2 4.38Å; F187-F316 HydrophobicContact CD2-CG 4.48Å; F187-F316 HydrophobicContact CE1-CD2 4.13Å; F187-F316 VanDerWaalsContact CE2-CA 3.49Å; F187-F316 HydrophobicContact CE2-CB 3.95Å; F187-F316 HydrophobicContact CE2-CD2 4.4Å; F187-F316 HydrophobicContact CG-CB 4.05Å; F187-F316 HydrophobicContact CG-CD2 4.25Å; F187-F316 HydrophobicContact CZ-CD2 4.28Å; F187-W319 HydrophobicContact CE1-CD2 4.18Å; F187-W319 AromaticContact CE1-CE3 3.98Å; F187-W319 HydrophobicContact CE1-CE3 3.98Å; F187-W319 HydrophobicContact CE1-CZ3 4.36Å; F187-W319 HydrophobicContact CE2-CB 4.16Å; F187-W319 HydrophobicContact CZ-CB 3.82Å; F187-W319 AromaticContact CZ-CD2 3.74Å; F187-W319 HydrophobicContact CZ-CD2 3.74Å; F187-W319 AromaticContact CZ-CE3 3.89Å; F187-W319 HydrophobicContact CZ-CE3 3.89Å; F187-W319 AromaticContact CZ-CG 3.72Å; F187-W319 HydrophobicContact CZ-CG 3.72Å
188	C	90.4	Very high	74.7	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-67.9	-37.1	172.8	-69	0	0	0	0	112.2	N184 G185 F186 R191 G192	N184-C188 HydrophobicContact CB-CB 3.88Å; N184-C188 PolarHBondContact O-SG 3.32Å; G185-C188 PolarHBondContact O-N 3.13Å; F186-C188 VanDerWaalsContact C-N 3.31Å; F186-C188 PolarHBondContact O-N 3.26Å; C188-R191 PolarHBondContact O-N 2.86Å; C188-G192 PolarHBondContact O-N 2.61Å
189	L	90.1	Very high	76.2	Confident	15 Å²	15	34.5 Å²	34.5	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-45.5	172.4	173.9	65	0	0	0	111.8	G185 F186 R191 G192 F193 W215	G185-L189 PolarHBondContact O-N 3.22Å; F186-L189 HydrophobicContact CD2-CD2 4.13Å; F186-L189 HydrophobicContact CE2-CD2 4.31Å; F186-L189 WeakPolarHBondContact O-CB 3.4Å; F186-L189 PolarHBondContact O-N 3.49Å; F186-L189 VanDerWaalsContact O-N 3.16Å; L189-R191 VanDerWaalsContact C-N 3.33Å; L189-R191 PolarHBondContact O-N 3.1Å; L189-G192 WeakPolarHBondContact O-CA 3.37Å; L189-G192 PolarHBondContact O-N 2.78Å; L189-G192 VanDerWaalsContact O-N 3.09Å; L189-F193 HydrophobicContact CD1-CD2 4.45Å; L189-F193 HydrophobicContact CD1-CE1 4.18Å; L189-F193 HydrophobicContact CD1-CE2 3.71Å; L189-F193 HydrophobicContact CD1-CZ 3.56Å; L189-F193 HydrophobicContact CD2-CE2 4.17Å; L189-F193 HydrophobicContact CD2-CZ 4.46Å; L189-F193 HydrophobicContact CG-CD2 4.33Å; L189-F193 HydrophobicContact CG-CE2 3.64Å; L189-F193 HydrophobicContact CG-CZ 4.01Å; L189-F193 WeakPolarHBondContact O-CD2 3.13Å; L189-F193 PolarHBondContact O-N 3.4Å; L189-F193 VanDerWaalsContact O-N 3.14Å; L189-W215 HydrophobicContact CD1-CD2 4.32Å; L189-W215 HydrophobicContact CD1-CG 4.09Å; L189-W215 HydrophobicContact CD2-CD2 3.48Å; L189-W215 VanDerWaalsContact CD2-CD2 3.48Å; L189-W215 HydrophobicContact CD2-CE3 3.63Å; L189-W215 HydrophobicContact CD2-CG 4.05Å; L189-W215 HydrophobicContact CD2-CH2 3.92Å; L189-W215 HydrophobicContact CD2-CZ2 3.8Å; L189-W215 HydrophobicContact CD2-CZ3 3.85Å
190	L	92.1	Very high	77.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-40.9	176.1	-67.5	178.1	0	0	0	111.9	F186 F187 F193 L194 I208 V212 T243 A246 L247 L250	F186-L190 HydrophobicContact CD1-CD1 4.01Å; F186-L190 HydrophobicContact CD1-CG 4.38Å; F186-L190 HydrophobicContact CE1-CD1 3.75Å; F186-L190 HydrophobicContact CE1-CD2 4.31Å; F186-L190 HydrophobicContact CE1-CG 4.14Å; F186-L190 HydrophobicContact CE2-CD2 4.37Å; F186-L190 HydrophobicContact CZ-CD1 4.26Å; F186-L190 HydrophobicContact CZ-CD2 3.97Å; F186-L190 HydrophobicContact CZ-CG 4.21Å; F186-L190 WeakPolarHBondContact O-CG 3.42Å; F186-L190 PolarHBondContact O-N 3.17Å; F187-L190 PolarHBondContact O-N 2.94Å; L190-F193 PolarHBondContact O-N 3.02Å; L190-L194 PolarHBondContact O-N 2.98Å; L190-I208 HydrophobicContact CD2-CG2 3.71Å; L190-V212 HydrophobicContact CD2-CG2 4.2Å; L190-T243 HydrophobicContact CD2-CG2 4.14Å; L190-A246 HydrophobicContact CD1-CB 3.92Å; L190-L247 HydrophobicContact CD1-CD2 4.09Å; L190-L247 HydrophobicContact CD1-CG 4.26Å; L190-L250 HydrophobicContact CD1-CD1 4.37Å
191	R	90.1	Very high	79	Confident	3 Å²	3	35.9 Å²	35.9	1%	0.011	21%	0.206	C	C	.	.	H	α-helix	trans	-59.1	-47.3	170.9	-171.9	173.9	72.8	177.1	0.4	111.4	F187 C188 L189 F193 L194 T195 W285 F305 E308 T309	F187-R191 PolarHBondContact O-N 3.41Å; C188-R191 PolarHBondContact O-N 2.86Å; L189-R191 VanDerWaalsContact C-N 3.33Å; L189-R191 PolarHBondContact O-N 3.1Å; R191-F193 VanDerWaalsContact C-N 3.27Å; R191-F193 PolarHBondContact O-N 3.38Å; R191-L194 CarbonylContact O-C 3.59Å; R191-L194 PolarHBondContact O-N 3.23Å; R191-T195 HydrophobicContact CG-CG2 3.85Å; R191-T195 PolarHBondContact O-N 3.41Å; R191-T195 PolarHBondContact O-OG1 3.44Å; R191-T195 VanDerWaalsContact O-OG1 3.12Å; R191-W285 HydrophobicContact CB-CD2 3.88Å; R191-W285 HydrophobicContact CB-CE3 3.8Å; R191-W285 HydrophobicContact CB-CH2 3.77Å; R191-W285 HydrophobicContact CB-CZ2 3.81Å; R191-W285 HydrophobicContact CB-CZ3 3.75Å; R191-W285 VanDerWaalsContact CD-CE2 3.48Å; R191-W285 VanDerWaalsContact CD-NE1 3.32Å; R191-W285 HydrophobicContact CG-CD2 3.58Å; R191-W285 VanDerWaalsContact CG-CE2 3.5Å; R191-W285 HydrophobicContact CG-CE3 4.03Å; R191-W285 HydrophobicContact CG-CG 3.91Å; R191-W285 HydrophobicContact CG-CH2 4.38Å; R191-W285 HydrophobicContact CG-CZ2 3.95Å; R191-W285 HydrophobicContact CG-CZ3 4.4Å; R191-F305 PolarHBondContact NH1-O 2.65Å; R191-E308 WeakPolarHBondContact CD-OE1 3.25Å; R191-E308 IonicContact CZ-OE1 2.75Å; R191-E308 IonicContact NE-OE1 3.7Å; R191-E308 IonicContact NH1-OE1 3.39Å; R191-E308 PolarHBondContact NH1-OE1 3.47Å; R191-T309 PolarHBondContact NH2-OG1 3.3Å
192	G	86.4	Confident	80.3	Confident	31 Å²	31	37.2 Å²	37.2	32%	0.32	20%	0.203	S	C	.	.	H	α-helix	trans	-53.5	-39.8	179.2	0	0	0	0	0	113.9	C188 L189 H196	C188-G192 PolarHBondContact O-N 2.61Å; L189-G192 WeakPolarHBondContact O-CA 3.37Å; L189-G192 PolarHBondContact O-N 2.78Å; L189-G192 VanDerWaalsContact O-N 3.09Å; G192-H196 PolarHBondContact O-N 3.09Å
193	F	88.6	Confident	81.4	Confident	33 Å²	33	36.8 Å²	36.8	15%	0.145	20%	0.2	C	C	.	.	H	α-helix	trans	-68.4	-36.9	174.5	-63.3	-47.4	0	0	0	113.4	L189 L190 R191 R201 L203 H211 V212 W215	L189-F193 HydrophobicContact CD1-CD2 4.45Å; L189-F193 HydrophobicContact CD1-CE1 4.18Å; L189-F193 HydrophobicContact CD1-CE2 3.71Å; L189-F193 HydrophobicContact CD1-CZ 3.56Å; L189-F193 HydrophobicContact CD2-CE2 4.17Å; L189-F193 HydrophobicContact CD2-CZ 4.46Å; L189-F193 HydrophobicContact CG-CD2 4.33Å; L189-F193 HydrophobicContact CG-CE2 3.64Å; L189-F193 HydrophobicContact CG-CZ 4.01Å; L189-F193 WeakPolarHBondContact O-CD2 3.13Å; L189-F193 PolarHBondContact O-N 3.4Å; L189-F193 VanDerWaalsContact O-N 3.14Å; L190-F193 PolarHBondContact O-N 3.02Å; R191-F193 VanDerWaalsContact C-N 3.27Å; R191-F193 PolarHBondContact O-N 3.38Å; F193-R201 WeakPolarHBondContact O-CD 3.36Å; F193-R201 PolarHBondContact O-NH1 3.24Å; F193-L203 HydrophobicContact CB-CD1 4.35Å; F193-H211 HydrophobicContact CD1-CB 3.89Å; F193-H211 HydrophobicContact CD2-CB 4.33Å; F193-H211 HydrophobicContact CE1-CB 3.76Å; F193-H211 HydrophobicContact CE2-CB 4.2Å; F193-H211 HydrophobicContact CG-CB 4.18Å; F193-H211 HydrophobicContact CZ-CB 3.91Å; F193-H211 WeakPolarHBondContact CZ-O 3.2Å; F193-V212 HydrophobicContact CD2-CG2 4.4Å; F193-V212 HydrophobicContact CE2-CG2 3.73Å; F193-W215 HydrophobicContact CZ-CB 3.93Å; F193-W215 HydrophobicContact CZ-CG 4.43Å
194	L	88.7	Confident	82.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-86.3	-13.6	-176.8	-70.3	168	0	0	0	114.4	L190 R191 R201 L203 I208 L247 V274 W283 W285	L190-L194 PolarHBondContact O-N 2.98Å; R191-L194 CarbonylContact O-C 3.59Å; R191-L194 PolarHBondContact O-N 3.23Å; L194-R201 PolarHBondContact O-N 3.26Å; L194-L203 HydrophobicContact CD2-CB 4Å; L194-L203 HydrophobicContact CD2-CD1 4.02Å; L194-L203 HydrophobicContact CD2-CG 4.12Å; L194-I208 HydrophobicContact CD2-CD1 4.19Å; L194-L247 HydrophobicContact CD1-CD2 4.43Å; L194-V274 HydrophobicContact CD1-CG1 4.17Å; L194-W283 HydrophobicContact CD1-CB 4.49Å; L194-W283 HydrophobicContact CD2-CB 4.34Å; L194-W285 HydrophobicContact CB-CB 4.09Å; L194-W285 HydrophobicContact CD1-CE3 3.95Å
195	T	80.1	Confident	83.1	Confident	7 Å²	7	31.9 Å²	31.9	4%	0.043	18%	0.18	C	C	.	.	S	Bend	trans	-126.2	21.5	179.3	71.8	0	0	0	0	113.7	R191 G197 G198 V199 W285	R191-T195 HydrophobicContact CG-CG2 3.85Å; R191-T195 PolarHBondContact O-N 3.41Å; R191-T195 PolarHBondContact O-OG1 3.44Å; R191-T195 VanDerWaalsContact O-OG1 3.12Å; T195-G197 PolarHBondContact O-N 3.14Å; T195-G198 PolarHBondContact O-N 3.29Å; T195-V199 CarbonylContact C-O 3.53Å; T195-V199 WeakPolarHBondContact CA-O 3.26Å; T195-W285 HydrophobicContact CG2-CB 3.68Å; T195-W285 HydrophobicContact CG2-CG 3.98Å
196	H	71.2	Confident	83.3	Confident	113 Å²	113	34.9 Å²	34.9	52%	0.523	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-55.6	125.9	-174	-179.9	-75.7	0	0	0	112.5	G192 G198	G192-H196 PolarHBondContact O-N 3.09Å; H196-G198 VanDerWaalsContact C-N 3.3Å
197	G	55.2	Low	83.3	Confident	62 Å²	62	38.8 Å²	38.8	64%	0.639	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	75.3	13.3	-177.9	0	0	0	0	0	114.8	T195 V199	T195-G197 PolarHBondContact O-N 3.14Å; G197-V199 PolarHBondContact O-N 2.76Å
198	G	59.2	Low	83.2	Confident	18 Å²	18	38.8 Å²	38.8	19%	0.186	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	79.5	2.5	-175.9	0	0	0	0	0	114.1	T195 H196 P289	T195-G198 PolarHBondContact O-N 3.29Å; H196-G198 VanDerWaalsContact C-N 3.3Å; G198-P289 WeakPolarHBondContact O-CD 3.4Å
199	V	65	Low	83.4	Confident	72 Å²	72	39.5 Å²	39.5	44%	0.436	23%	0.228	S	C	.	.	S	Bend	trans	-101.4	136.9	178.8	-176.8	0	0	0	0	109.9	T195 G197 R201	T195-V199 CarbonylContact C-O 3.53Å; T195-V199 WeakPolarHBondContact CA-O 3.26Å; G197-V199 PolarHBondContact O-N 2.76Å; V199-R201 PolarHBondContact O-N 3.37Å; V199-R201 VanDerWaalsContact O-N 3.16Å
200	R	74.3	Confident	83.4	Confident	65 Å²	65	43.8 Å²	43.8	25%	0.245	25%	0.247	C	C	.	.			trans	-64.7	109.3	174.2	-178	-171.3	-171.3	170.1	0.7	110.2	C284 Y288	R200-C284 HydrophobicContact CG-CB 4.48Å; R200-C284 PolarHBondContact NH2-SG 3.01Å; R200-Y288 HydrophobicContact CB-CD1 4.22Å; R200-Y288 HydrophobicContact CB-CD2 3.81Å; R200-Y288 HydrophobicContact CB-CE2 4.26Å; R200-Y288 HydrophobicContact CB-CG 3.79Å; R200-Y288 HydrophobicContact CG-CD1 4.14Å; R200-Y288 HydrophobicContact CG-CE1 4.38Å; R200-Y288 HydrophobicContact CG-CG 4.23Å; R200-Y288 PolarHBondContact NH1-OH 3.4Å
201	R	81.9	Confident	83.3	Confident	82 Å²	82	45.8 Å²	45.8	31%	0.309	26%	0.257	S	S	.	.			trans	-89.1	141.1	169.7	-64.6	179.1	71	-148	9.7	109.8	F193 L194 V199 L203 H211	F193-R201 WeakPolarHBondContact O-CD 3.36Å; F193-R201 PolarHBondContact O-NH1 3.24Å; L194-R201 PolarHBondContact O-N 3.26Å; V199-R201 PolarHBondContact O-N 3.37Å; V199-R201 VanDerWaalsContact O-N 3.16Å; R201-L203 HydrophobicContact CB-CG 4.38Å; R201-H211 PolarHBondContact NH2-NE2 3.26Å
202	R	86.5	Confident	83.3	Confident	82 Å²	82	45.7 Å²	45.7	31%	0.309	26%	0.256	S	S	.	.			trans	-99.1	127.8	162.2	-55.1	-175.1	-162.9	157.7	12.3	107.1	Q282 W283 D717	R202-Q282 HydrophobicContact CB-CB 4.24Å; R202-Q282 HydrophobicContact CB-CG 4.35Å; R202-Q282 VanDerWaalsContact CB-OE1 3.29Å; R202-W283 WeakPolarHBondContact CA-O 3.39Å; R202-D717 IonicContact CZ-OD1 3.88Å; R202-D717 IonicContact CZ-OD2 3.11Å; R202-D717 IonicContact NH1-OD1 3.3Å; R202-D717 IonicContact NH1-OD2 3.75Å; R202-D717 PolarHBondContact NH1-OD2 3.32Å; R202-D717 IonicContact NH2-OD1 3.09Å; R202-D717 PolarHBondContact NH2-OD1 3.44Å; R202-D717 VanDerWaalsContact NH2-OD1 3.11Å; R202-D717 IonicContact NH2-OD2 2.84Å
203	L	89.6	Confident	83.4	Confident	7 Å²	7	49.8 Å²	49.8	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.9	-179.9	-64.5	175.1	0	0	0	110.6	F193 L194 R201 Q207 I208 Q282 W283	F193-L203 HydrophobicContact CB-CD1 4.35Å; L194-L203 HydrophobicContact CD2-CB 4Å; L194-L203 HydrophobicContact CD2-CD1 4.02Å; L194-L203 HydrophobicContact CD2-CG 4.12Å; R201-L203 HydrophobicContact CB-CG 4.38Å; L203-Q207 HydrophobicContact CB-CB 4.36Å; L203-Q207 HydrophobicContact CD2-CB 4.31Å; L203-I208 HydrophobicContact CB-CD1 4.1Å; L203-I208 HydrophobicContact CB-CG1 3.65Å; L203-I208 HydrophobicContact CD1-CG1 4.08Å; L203-Q282 CarbonylContact O-C 3.45Å; L203-Q282 WeakPolarHBondContact O-CA 3.22Å; L203-W283 PolarHBondContact N-O 2.82Å; L203-W283 VanDerWaalsContact N-O 3.08Å; L203-W283 PolarHBondContact O-N 3.33Å
204	T	91.8	Very high	83.3	Confident	41 Å²	41	52.2 Å²	52.2	25%	0.252	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	158.1	171.8	68.4	0	0	0	0	111	A206 Q207 I208 H281 Q282	T204-A206 PolarHBondContact O-N 2.97Å; T204-Q207 PolarHBondContact O-N 3Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.47Å; T204-Q207 PolarHBondContact OG1-N 3.28Å; T204-I208 WeakPolarHBondContact O-CG1 3.2Å; T204-I208 PolarHBondContact O-N 3.39Å; T204-I208 VanDerWaalsContact O-N 3.08Å; T204-H281 WeakPolarHBondContact CA-O 3.48Å; T204-Q282 HydrophobicContact CG2-CG 4.05Å
205	T	90.7	Very high	83.2	Confident	34 Å²	34	53.3 Å²	53.3	21%	0.209	28%	0.278	C	S	.	.	H	α-helix	trans	-51.7	-42.6	176.1	-47.6	0	0	0	0	111.4	Q207 I208 C209 H244 W283	T205-Q207 PolarHBondContact O-N 2.72Å; T205-I208 PolarHBondContact O-N 2.88Å; T205-C209 WeakPolarHBondContact O-CB 3.25Å; T205-C209 PolarHBondContact O-N 2.93Å; T205-C209 PolarHBondContact O-SG 2.78Å; T205-H244 HydrophobicContact CG2-CB 4.49Å; T205-W283 PolarHBondContact OG1-NE1 3.29Å
206	A	92	Very high	83.4	Confident	67 Å²	67	53.9 Å²	53.9	55%	0.554	28%	0.28	S	S	*	.	H	α-helix	trans	-59.6	-43.6	177.9	0	0	0	0	0	113.3	T204 C209 E210	T204-A206 PolarHBondContact O-N 2.97Å; A206-C209 PolarHBondContact O-N 3.47Å; A206-E210 WeakPolarHBondContact O-CB 3.47Å; A206-E210 PolarHBondContact O-N 2.7Å
207	Q	92	Very high	83.9	Confident	81 Å²	81	51.1 Å²	51.1	38%	0.379	28%	0.277	S	S	.	.	H	α-helix	trans	-66.7	-37.5	177.3	-70.9	170.4	-32	0	0	112.4	L203 T204 T205 E210 H211	L203-Q207 HydrophobicContact CB-CB 4.36Å; L203-Q207 HydrophobicContact CD2-CB 4.31Å; T204-Q207 PolarHBondContact O-N 3Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.47Å; T204-Q207 PolarHBondContact OG1-N 3.28Å; T205-Q207 PolarHBondContact O-N 2.72Å; Q207-E210 PolarHBondContact O-N 2.74Å; Q207-H211 PolarHBondContact O-N 2.77Å
208	I	92.3	Very high	84.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.6	-45.7	176.6	-57.1	168.8	0	0	0	109.6	L190 L194 L203 T204 T205 E210 H211 V212 T243 L247 W283	L190-I208 HydrophobicContact CD2-CG2 3.71Å; L194-I208 HydrophobicContact CD2-CD1 4.19Å; L203-I208 HydrophobicContact CB-CD1 4.1Å; L203-I208 HydrophobicContact CB-CG1 3.65Å; L203-I208 HydrophobicContact CD1-CG1 4.08Å; T204-I208 WeakPolarHBondContact O-CG1 3.2Å; T204-I208 PolarHBondContact O-N 3.39Å; T204-I208 VanDerWaalsContact O-N 3.08Å; T205-I208 PolarHBondContact O-N 2.88Å; I208-E210 VanDerWaalsContact C-N 3.29Å; I208-E210 PolarHBondContact O-N 2.82Å; I208-H211 PolarHBondContact O-N 2.69Å; I208-V212 HydrophobicContact CG2-CG2 4.44Å; I208-V212 VanDerWaalsContact O-CG2 3.29Å; I208-V212 WeakPolarHBondContact O-CG2 3.46Å; I208-V212 PolarHBondContact O-N 3.24Å; I208-T243 HydrophobicContact CB-CG2 4.31Å; I208-T243 HydrophobicContact CG2-CG2 3.7Å; I208-L247 HydrophobicContact CD1-CD1 3.75Å; I208-L247 HydrophobicContact CG2-CD1 4.43Å; I208-W283 HydrophobicContact CD1-CB 3.9Å; I208-W283 HydrophobicContact CD1-CG 3.96Å
209	C	93.6	Very high	85.5	Confident	16 Å²	16	51.5 Å²	51.5	11%	0.108	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-35.8	175.2	-66.8	0	0	0	0	112.4	T205 A206 V212 R213 S240	T205-C209 WeakPolarHBondContact O-CB 3.25Å; T205-C209 PolarHBondContact O-N 2.93Å; T205-C209 PolarHBondContact O-SG 2.78Å; A206-C209 PolarHBondContact O-N 3.47Å; C209-V212 PolarHBondContact O-N 3.31Å; C209-R213 WeakPolarHBondContact O-CG 3.22Å; C209-R213 PolarHBondContact O-N 3.45Å; C209-S240 WeakPolarHBondContact O-CB 3.45Å; C209-S240 PolarHBondContact SG-O 3.27Å
210	E	90.7	Very high	85.5	Confident	105 Å²	105	52.9 Å²	52.9	49%	0.491	27%	0.267	S	S	.	.	H	α-helix	trans	-62.5	-53.6	172.3	-175.8	168	-140.4	0	0	111.4	A206 Q207 I208 V212 R213 E214	A206-E210 WeakPolarHBondContact O-CB 3.47Å; A206-E210 PolarHBondContact O-N 2.7Å; Q207-E210 PolarHBondContact O-N 2.74Å; I208-E210 VanDerWaalsContact C-N 3.29Å; I208-E210 PolarHBondContact O-N 2.82Å; E210-V212 VanDerWaalsContact C-N 3.26Å; E210-V212 PolarHBondContact O-N 3.43Å; E210-R213 PolarHBondContact O-N 2.83Å; E210-E214 WeakPolarHBondContact O-CG 3.23Å; E210-E214 PolarHBondContact O-N 3.23Å
211	H	89.1	Confident	84.9	Confident	43 Å²	43	55.8 Å²	55.8	20%	0.199	29%	0.287	C	S	.	.	H	α-helix	trans	-59.2	-33.8	175.7	-72.3	-27.1	0	0	0	113.4	F193 R201 Q207 I208 E214 W215	F193-H211 HydrophobicContact CD1-CB 3.89Å; F193-H211 HydrophobicContact CD2-CB 4.33Å; F193-H211 HydrophobicContact CE1-CB 3.76Å; F193-H211 HydrophobicContact CE2-CB 4.2Å; F193-H211 HydrophobicContact CG-CB 4.18Å; F193-H211 HydrophobicContact CZ-CB 3.91Å; F193-H211 WeakPolarHBondContact CZ-O 3.2Å; R201-H211 PolarHBondContact NH2-NE2 3.26Å; Q207-H211 PolarHBondContact O-N 2.77Å; I208-H211 PolarHBondContact O-N 2.69Å; H211-E214 IonicContact CE1-OE2 2.75Å; H211-E214 IonicContact CG-OE2 3.65Å; H211-E214 IonicContact ND1-OE2 3.13Å; H211-E214 PolarHBondContact ND1-OE2 3.08Å; H211-W215 VanDerWaalsContact O-CB 3.27Å; H211-W215 WeakPolarHBondContact O-CB 3.26Å; H211-W215 PolarHBondContact O-N 3.21Å
212	V	90.6	Very high	83.8	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-44.1	172.6	170.6	0	0	0	0	111.1	F186 L190 F193 I208 C209 E210 W215 Q216 W239	F186-V212 HydrophobicContact CE2-CG1 4.13Å; F186-V212 HydrophobicContact CE2-CG2 4.15Å; F186-V212 HydrophobicContact CZ-CG1 4.46Å; F186-V212 HydrophobicContact CZ-CG2 4.3Å; L190-V212 HydrophobicContact CD2-CG2 4.2Å; F193-V212 HydrophobicContact CD2-CG2 4.4Å; F193-V212 HydrophobicContact CE2-CG2 3.73Å; I208-V212 HydrophobicContact CG2-CG2 4.44Å; I208-V212 VanDerWaalsContact O-CG2 3.29Å; I208-V212 WeakPolarHBondContact O-CG2 3.46Å; I208-V212 PolarHBondContact O-N 3.24Å; C209-V212 PolarHBondContact O-N 3.31Å; E210-V212 VanDerWaalsContact C-N 3.26Å; E210-V212 PolarHBondContact O-N 3.43Å; V212-W215 PolarHBondContact O-N 3.15Å; V212-Q216 WeakPolarHBondContact O-CB 3.42Å; V212-Q216 PolarHBondContact O-N 2.7Å; V212-W239 HydrophobicContact CG1-CB 3.63Å
213	R	88.6	Confident	82.3	Confident	117 Å²	117	56.1 Å²	56.1	44%	0.442	29%	0.29	S	S	.	.	H	α-helix	trans	-64.1	-43.5	174.7	-71.3	-176.9	-66.5	-94.7	1.7	112.2	C209 E210 Q216 A217 S240	C209-R213 WeakPolarHBondContact O-CG 3.22Å; C209-R213 PolarHBondContact O-N 3.45Å; E210-R213 PolarHBondContact O-N 2.83Å; R213-Q216 PolarHBondContact O-N 3.26Å; R213-A217 WeakPolarHBondContact O-CB 3.48Å; R213-A217 PolarHBondContact O-N 3.47Å; R213-S240 PolarHBondContact NH1-OG 3Å
214	E	85.2	Confident	80.6	Confident	84 Å²	84	66.1 Å²	66.1	39%	0.393	33%	0.328	S	S	.	.	H	α-helix	trans	-58.3	-49.7	175.4	-70.1	-177.7	122.3	0	0	111.1	E210 H211 Q216 C218	E210-E214 WeakPolarHBondContact O-CG 3.23Å; E210-E214 PolarHBondContact O-N 3.23Å; H211-E214 IonicContact CE1-OE2 2.75Å; H211-E214 IonicContact CG-OE2 3.65Å; H211-E214 IonicContact ND1-OE2 3.13Å; H211-E214 PolarHBondContact ND1-OE2 3.08Å; E214-Q216 PolarHBondContact O-N 3.43Å; E214-C218 VanDerWaalsContact O-CB 3.29Å; E214-C218 WeakPolarHBondContact O-CB 3.48Å; E214-C218 PolarHBondContact O-N 3.26Å; E214-C218 PolarHBondContact O-SG 3.26Å; E214-C218 VanDerWaalsContact O-SG 3.35Å
215	W	87.3	Confident	78.9	Confident	23 Å²	23	72.8 Å²	72.8	9%	0.087	35%	0.353	C	S	.	.	H	α-helix	trans	-59.8	-45.3	175.7	166.1	92.2	0	0	0	111.5	S182 L189 F193 H211 V212 C218 N219 W232 I233	S182-W215 PolarHBondContact OG-NE1 3.01Å; S182-W215 VanDerWaalsContact OG-NE1 3.15Å; L189-W215 HydrophobicContact CD1-CD2 4.32Å; L189-W215 HydrophobicContact CD1-CG 4.09Å; L189-W215 HydrophobicContact CD2-CD2 3.48Å; L189-W215 VanDerWaalsContact CD2-CD2 3.48Å; L189-W215 HydrophobicContact CD2-CE3 3.63Å; L189-W215 HydrophobicContact CD2-CG 4.05Å; L189-W215 HydrophobicContact CD2-CH2 3.92Å; L189-W215 HydrophobicContact CD2-CZ2 3.8Å; L189-W215 HydrophobicContact CD2-CZ3 3.85Å; F193-W215 HydrophobicContact CZ-CB 3.93Å; F193-W215 HydrophobicContact CZ-CG 4.43Å; H211-W215 VanDerWaalsContact O-CB 3.27Å; H211-W215 WeakPolarHBondContact O-CB 3.26Å; H211-W215 PolarHBondContact O-N 3.21Å; V212-W215 PolarHBondContact O-N 3.15Å; W215-C218 PolarHBondContact O-N 2.91Å; W215-N219 PolarHBondContact NE1-ND2 3.29Å; W215-N219 VanDerWaalsContact O-CB 3.26Å; W215-N219 WeakPolarHBondContact O-CB 3.25Å; W215-N219 PolarHBondContact O-N 3.33Å; W215-N219 PolarHBondContact O-ND2 3.34Å; W215-W232 AromaticContact CH2-CH2 3.61Å; W215-W232 HydrophobicContact CH2-CH2 3.61Å; W215-W232 HydrophobicContact CH2-CZ2 4.23Å; W215-W232 HydrophobicContact CH2-CZ3 4.27Å; W215-W232 HydrophobicContact CZ2-CH2 4.13Å; W215-W232 HydrophobicContact CZ2-CZ2 4.37Å; W215-W232 HydrophobicContact CZ3-CH2 4.48Å; W215-I233 HydrophobicContact CH2-CD1 3.59Å; W215-I233 HydrophobicContact CH2-CG1 4Å; W215-I233 HydrophobicContact CH2-CG2 4.02Å; W215-I233 HydrophobicContact CZ2-CD1 3.7Å; W215-I233 HydrophobicContact CZ3-CG2 4.47Å
216	Q	85.7	Confident	77.1	Confident	19 Å²	19	75 Å²	75	9%	0.089	37%	0.366	C	S	.	.	H	α-helix	trans	-65.7	-47.3	-178.1	-167	175.7	-24.6	0	0	110.6	V212 R213 E214 C218 N219 Q220 E237	V212-Q216 WeakPolarHBondContact O-CB 3.42Å; V212-Q216 PolarHBondContact O-N 2.7Å; R213-Q216 PolarHBondContact O-N 3.26Å; E214-Q216 PolarHBondContact O-N 3.43Å; Q216-C218 PolarHBondContact O-N 3.23Å; Q216-N219 PolarHBondContact O-N 3.11Å; Q216-Q220 VanDerWaalsContact O-CG 3.29Å; Q216-Q220 WeakPolarHBondContact O-CG 3.48Å; Q216-Q220 PolarHBondContact O-N 3.32Å; Q216-E237 PolarHBondContact NE2-O 3.32Å
217	A	81.1	Confident	75	Confident	56 Å²	56	75.7 Å²	75.7	46%	0.463	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-42.8	177.3	0	0	0	0	0	112.7	R213 N219	R213-A217 WeakPolarHBondContact O-CB 3.48Å; R213-A217 PolarHBondContact O-N 3.47Å; A217-N219 PolarHBondContact O-N 3.36Å
218	C	75.5	Confident	73.2	Confident	72 Å²	72	82.9 Å²	82.9	49%	0.486	40%	0.403	S	S	.	.	H	α-helix	trans	-66.4	-35.8	176.3	-76.1	0	0	0	0	112.6	E214 W215 Q216	E214-C218 VanDerWaalsContact O-CB 3.29Å; E214-C218 WeakPolarHBondContact O-CB 3.48Å; E214-C218 PolarHBondContact O-N 3.26Å; E214-C218 PolarHBondContact O-SG 3.26Å; E214-C218 VanDerWaalsContact O-SG 3.35Å; W215-C218 PolarHBondContact O-N 2.91Å; Q216-C218 PolarHBondContact O-N 3.23Å
219	N	72	Confident	71.4	Confident	16 Å²	16	84.7 Å²	84.7	9%	0.086	42%	0.421	C	S	.	.	H	α-helix	trans	-94.4	-18.4	-173.5	-69.1	-71	0	0	0	114.7	W215 Q216 A217 N221 R222 L223	W215-N219 PolarHBondContact NE1-ND2 3.29Å; W215-N219 VanDerWaalsContact O-CB 3.26Å; W215-N219 WeakPolarHBondContact O-CB 3.25Å; W215-N219 PolarHBondContact O-N 3.33Å; W215-N219 PolarHBondContact O-ND2 3.34Å; Q216-N219 PolarHBondContact O-N 3.11Å; A217-N219 PolarHBondContact O-N 3.36Å; N219-N221 PolarHBondContact O-N 2.87Å; N219-R222 CarbonylContact O-C 3.58Å; N219-R222 WeakPolarHBondContact O-CA 3.45Å; N219-R222 WeakPolarHBondContact O-CB 3.42Å; N219-R222 PolarHBondContact O-N 3.49Å; N219-R222 WeakPolarHBondContact OD1-CD 3.41Å; N219-R222 PolarHBondContact OD1-NH1 3.17Å; N219-L223 HydrophobicContact CB-CD1 3.78Å; N219-L223 HydrophobicContact CB-CG 3.94Å; N219-L223 WeakPolarHBondContact O-CG 3.44Å; N219-L223 PolarHBondContact O-N 3.06Å
220	Q	65.6	Low	69.9	Low	101 Å²	101	84.5 Å²	84.5	47%	0.472	42%	0.42	S	S	.	.	H	α-helix	trans	-43.6	-42.6	174.8	-86.5	167.8	14.3	0	0	113.4	Q216	Q216-Q220 VanDerWaalsContact O-CG 3.29Å; Q216-Q220 WeakPolarHBondContact O-CG 3.48Å; Q216-Q220 PolarHBondContact O-N 3.32Å
221	N	60.9	Low	68.9	Low	126 Å²	126	84.1 Å²	84.1	67%	0.674	43%	0.429	S	S	*	.	H	α-helix	trans	-75.2	-21.1	178.4	-74.3	-56.1	0	0	0	115.3	N219	N219-N221 PolarHBondContact O-N 2.87Å
222	R	58.1	Low	68.6	Low	148 Å²	148	82.9 Å²	82.9	56%	0.558	42%	0.423	S	S	*	.	H	α-helix	trans	-87.4	-44	174.5	-68.9	174.4	64.2	-162.4	8.2	111.1	N219 R224 K225 V226	N219-R222 CarbonylContact O-C 3.58Å; N219-R222 WeakPolarHBondContact O-CA 3.45Å; N219-R222 WeakPolarHBondContact O-CB 3.42Å; N219-R222 PolarHBondContact O-N 3.49Å; N219-R222 WeakPolarHBondContact OD1-CD 3.41Å; N219-R222 PolarHBondContact OD1-NH1 3.17Å; R222-R224 PolarHBondContact O-N 3.49Å; R222-K225 CarbonylContact O-C 3.58Å; R222-K225 WeakPolarHBondContact O-CA 3.38Å; R222-K225 WeakPolarHBondContact O-CB 3.24Å; R222-K225 PolarHBondContact O-N 2.68Å; R222-V226 WeakPolarHBondContact O-CG2 3.24Å; R222-V226 PolarHBondContact O-N 2.83Å
223	L	55.7	Low	68.2	Low	23 Å²	23	83.2 Å²	83.2	12%	0.12	42%	0.424	C	S	.	.	H	α-helix	trans	-64.9	-43.7	-170.5	-64.7	169.9	0	0	0	112.1	N219 K225 V226 C230 I233	N219-L223 HydrophobicContact CB-CD1 3.78Å; N219-L223 HydrophobicContact CB-CG 3.94Å; N219-L223 WeakPolarHBondContact O-CG 3.44Å; N219-L223 PolarHBondContact O-N 3.06Å; L223-K225 PolarHBondContact O-N 2.94Å; L223-V226 PolarHBondContact O-N 3.03Å; L223-C230 HydrophobicContact CD2-CB 3.65Å; L223-C230 VanDerWaalsContact CD2-SG 3.57Å; L223-I233 HydrophobicContact CD1-CB 4.33Å; L223-I233 HydrophobicContact CD1-CD1 3.42Å; L223-I233 VanDerWaalsContact CD1-CD1 3.42Å; L223-I233 HydrophobicContact CD1-CG1 4.45Å; L223-I233 HydrophobicContact CD1-CG2 3.9Å; L223-I233 HydrophobicContact CD2-CD1 3.48Å; L223-I233 VanDerWaalsContact CD2-CD1 3.48Å; L223-I233 HydrophobicContact CG-CD1 4.01Å
224	R	55.1	Low	67.7	Low	217 Å²	217	83.7 Å²	83.7	82%	0.819	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-7.8	171	-66.6	-173.6	-179.4	-165.7	2.1	114.6	R222	R222-R224 PolarHBondContact O-N 3.49Å
225	K	55.4	Low	67.6	Low	181 Å²	181	88 Å²	88	79%	0.787	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-9.7	176.9	-59.3	-175.8	-179.3	-177.9	0	113.8	R222 L223	R222-K225 CarbonylContact O-C 3.58Å; R222-K225 WeakPolarHBondContact O-CA 3.38Å; R222-K225 WeakPolarHBondContact O-CB 3.24Å; R222-K225 PolarHBondContact O-N 2.68Å; L223-K225 PolarHBondContact O-N 2.94Å
226	V	52.6	Low	67.5	Low	81 Å²	81	87.8 Å²	87.8	49%	0.491	45%	0.45	S	S	.	.			trans	-110.6	63.5	-179.1	-175.1	0	0	0	0	109.3	R222 L223 R228	R222-V226 WeakPolarHBondContact O-CG2 3.24Å; R222-V226 PolarHBondContact O-N 2.83Å; L223-V226 PolarHBondContact O-N 3.03Å; V226-R228 PolarHBondContact O-N 2.99Å
227	G	49	Very low	67.4	Low	80 Å²	80	96 Å²	96	83%	0.825	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	33	-167.2	0	0	0	0	0	117.8
228	R	53.8	Low	67.7	Low	233 Å²	233	95.9 Å²	95.9	88%	0.879	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.8	-33.2	167.8	-83	-155	-79.7	-99.9	6.8	115.4	V226 C230	V226-R228 PolarHBondContact O-N 2.99Å; R228-C230 PolarHBondContact O-N 3.36Å
229	G	54.6	Low	68.4	Low	37 Å²	37	92.5 Å²	92.5	38%	0.381	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-14.3	-172.3	0	0	0	0	0	115.8
230	C	61.1	Low	69.3	Low	13 Å²	13	92.1 Å²	92.1	9%	0.088	46%	0.456	C	S	.	.			trans	-136.1	26.5	-163.4	-61.7	0	0	0	0	114.3	L223 R228 W232 I233	L223-C230 HydrophobicContact CD2-CB 3.65Å; L223-C230 VanDerWaalsContact CD2-SG 3.57Å; R228-C230 PolarHBondContact O-N 3.36Å; C230-W232 PolarHBondContact O-N 3Å; C230-I233 HydrophobicContact CB-CD1 3.72Å; C230-I233 HydrophobicContact CB-CG1 4.28Å; C230-I233 PolarHBondContact O-N 3.23Å
231	S	70.3	Confident	70.6	Confident	97 Å²	97	89.5 Å²	89.5	68%	0.678	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-6.2	-176.9	55.7	0	0	0	0	115.5
232	W	83	Confident	72	Confident	16 Å²	16	83.5 Å²	83.5	6%	0.061	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-23.8	173.4	64.6	-95.5	0	0	0	113.2	S182 F186 W215 C230 R235 W239 F316 L320	S182-W232 WeakPolarHBondContact O-CZ2 3.3Å; F186-W232 HydrophobicContact CB-CE3 4.36Å; F186-W232 HydrophobicContact CB-CH2 3.89Å; F186-W232 HydrophobicContact CB-CZ3 3.69Å; F186-W232 HydrophobicContact CD2-CH2 4.03Å; F186-W232 AromaticContact CD2-CZ3 3.99Å; F186-W232 HydrophobicContact CD2-CZ3 3.99Å; F186-W232 HydrophobicContact CG-CH2 4.46Å; F186-W232 HydrophobicContact CG-CZ3 4.23Å; W215-W232 AromaticContact CH2-CH2 3.61Å; W215-W232 HydrophobicContact CH2-CH2 3.61Å; W215-W232 HydrophobicContact CH2-CZ2 4.23Å; W215-W232 HydrophobicContact CH2-CZ3 4.27Å; W215-W232 HydrophobicContact CZ2-CH2 4.13Å; W215-W232 HydrophobicContact CZ2-CZ2 4.37Å; W215-W232 HydrophobicContact CZ3-CH2 4.48Å; C230-W232 PolarHBondContact O-N 3Å; W232-R235 WeakPolarHBondContact O-CB 3.31Å; W232-R235 VanDerWaalsContact O-CG 3.22Å; W232-R235 WeakPolarHBondContact O-CG 3.28Å; W232-R235 PolarHBondContact O-N 3.4Å; W232-W239 AromaticContact CE3-CE2 3.91Å; W232-W239 AromaticContact CE3-CH2 3.71Å; W232-W239 HydrophobicContact CE3-CH2 3.71Å; W232-W239 AromaticContact CE3-CZ2 3.51Å; W232-W239 HydrophobicContact CE3-CZ2 3.51Å; W232-W239 HydrophobicContact CE3-CZ3 4.28Å; W232-W239 AromaticContact CZ3-CD2 3.9Å; W232-W239 HydrophobicContact CZ3-CD2 3.9Å; W232-W239 AromaticContact CZ3-CE2 3.72Å; W232-W239 HydrophobicContact CZ3-CE3 4.06Å; W232-W239 AromaticContact CZ3-CH2 3.93Å; W232-W239 HydrophobicContact CZ3-CH2 3.93Å; W232-W239 AromaticContact CZ3-CZ2 3.76Å; W232-W239 HydrophobicContact CZ3-CZ2 3.76Å; W232-W239 HydrophobicContact CZ3-CZ3 4.07Å; W232-W239 WeakPolarHBondContact O-CZ2 3.49Å; W232-F316 HydrophobicContact CB-CE1 3.85Å; W232-F316 HydrophobicContact CB-CZ 3.99Å; W232-F316 AromaticContact CD2-CE1 3.81Å; W232-F316 HydrophobicContact CD2-CE1 3.81Å; W232-F316 AromaticContact CD2-CZ 3.71Å; W232-F316 HydrophobicContact CD2-CZ 3.71Å; W232-F316 HydrophobicContact CE3-CE1 4.18Å; W232-F316 AromaticContact CE3-CZ 3.58Å; W232-F316 HydrophobicContact CE3-CZ 3.58Å; W232-F316 AromaticContact CG-CE1 3.68Å; W232-F316 HydrophobicContact CG-CE1 3.68Å; W232-F316 AromaticContact CG-CZ 3.93Å; W232-F316 HydrophobicContact CG-CZ 3.93Å; W232-F316 HydrophobicContact CZ3-CZ 4.26Å; W232-L320 HydrophobicContact CB-CD1 4.45Å; W232-L320 HydrophobicContact CB-CD2 3.69Å
233	I	81	Confident	73.7	Confident	7 Å²	7	76.5 Å²	76.5	4%	0.036	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-73.9	-37.5	-167.1	-56.2	174.8	0	0	0	111.8	W215 L223 C230 R235 W239	W215-I233 HydrophobicContact CH2-CD1 3.59Å; W215-I233 HydrophobicContact CH2-CG1 4Å; W215-I233 HydrophobicContact CH2-CG2 4.02Å; W215-I233 HydrophobicContact CZ2-CD1 3.7Å; W215-I233 HydrophobicContact CZ3-CG2 4.47Å; L223-I233 HydrophobicContact CD1-CB 4.33Å; L223-I233 HydrophobicContact CD1-CD1 3.42Å; L223-I233 VanDerWaalsContact CD1-CD1 3.42Å; L223-I233 HydrophobicContact CD1-CG1 4.45Å; L223-I233 HydrophobicContact CD1-CG2 3.9Å; L223-I233 HydrophobicContact CD2-CD1 3.48Å; L223-I233 VanDerWaalsContact CD2-CD1 3.48Å; L223-I233 HydrophobicContact CG-CD1 4.01Å; C230-I233 HydrophobicContact CB-CD1 3.72Å; C230-I233 HydrophobicContact CB-CG1 4.28Å; C230-I233 PolarHBondContact O-N 3.23Å; I233-R235 PolarHBondContact O-N 3.34Å; I233-W239 PolarHBondContact O-NE1 3.46Å
234	D	79.6	Confident	75.3	Confident	128 Å²	128	78 Å²	78	68%	0.684	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-70.8	10.1	176.6	-54.2	-61.1	0	0	0	113.5
235	R	83.4	Confident	77	Confident	175 Å²	175	69.5 Å²	69.5	66%	0.66	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-84.5	-16.5	175.9	-65.6	-68.5	-171.3	144.9	-1.1	114.5	W232 I233 W239 L320 L329	W232-R235 WeakPolarHBondContact O-CB 3.31Å; W232-R235 VanDerWaalsContact O-CG 3.22Å; W232-R235 WeakPolarHBondContact O-CG 3.28Å; W232-R235 PolarHBondContact O-N 3.4Å; I233-R235 PolarHBondContact O-N 3.34Å; R235-W239 HydrophobicContact CB-CZ2 4.4Å; R235-L320 HydrophobicContact CB-CD1 4.4Å; R235-L320 HydrophobicContact CG-CD1 4.28Å; R235-L329 HydrophobicContact CB-CD2 4.31Å
236	V	84	Confident	78.8	Confident	17 Å²	17	60.9 Å²	60.9	10%	0.103	33%	0.328	C	S	.	.			trans	-141.2	132.3	-179.2	-168.3	0	0	0	0	108.6	D238 W239 V242 L329 V333	V236-D238 WeakPolarHBondContact CG1-O 3.36Å; V236-W239 HydrophobicContact CB-CD2 4.16Å; V236-W239 HydrophobicContact CB-CG 4.43Å; V236-W239 HydrophobicContact CB-CZ2 3.96Å; V236-W239 HydrophobicContact CG2-CD2 4.24Å; V236-W239 HydrophobicContact CG2-CE3 4.46Å; V236-W239 HydrophobicContact CG2-CH2 3.77Å; V236-W239 HydrophobicContact CG2-CZ2 3.47Å; V236-W239 VanDerWaalsContact CG2-CZ2 3.47Å; V236-W239 HydrophobicContact CG2-CZ3 4.27Å; V236-V242 HydrophobicContact CG1-CG1 4.21Å; V236-V242 HydrophobicContact CG1-CG2 4.32Å; V236-L329 HydrophobicContact CG2-CD1 3.68Å; V236-L329 HydrophobicContact CG2-CD2 3.68Å; V236-L329 HydrophobicContact CG2-CG 4.22Å; V236-V333 HydrophobicContact CG2-CG2 4.43Å
237	E	83.2	Confident	80.7	Confident	192 Å²	192	57 Å²	57	90%	0.897	31%	0.305	S	S	*	.	S	Bend	trans	-70.2	-36.9	-178	-61.6	-169.7	166.4	0	0	112.6	Q216	Q216-E237 PolarHBondContact NE2-O 3.32Å
238	D	87.3	Confident	82.6	Confident	54 Å²	54	55.4 Å²	55.4	29%	0.289	28%	0.277	S	S	.	.			trans	-130.2	112.9	169	172.6	40.4	0	0	0	111.1	V236 S240 S241	V236-D238 WeakPolarHBondContact CG1-O 3.36Å; D238-S240 VanDerWaalsContact CG-OG 3.27Å; D238-S240 PolarHBondContact O-N 3.49Å; D238-S240 WeakPolarHBondContact OD1-CB 3.32Å; D238-S240 PolarHBondContact OD1-N 2.87Å; D238-S240 PolarHBondContact OD1-OG 3.36Å; D238-S240 VanDerWaalsContact OD1-OG 3.11Å; D238-S240 WeakPolarHBondContact OD2-CB 3.08Å; D238-S240 PolarHBondContact OD2-OG 3.35Å; D238-S241 PolarHBondContact O-N 3.3Å; D238-S241 PolarHBondContact O-OG 3.44Å; D238-S241 PolarHBondContact OD2-N 2.67Å
239	W	91.2	Very high	84.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-16.6	175.1	-77.4	85.5	0	0	0	113.3	F186 V212 W232 I233 R235 V236 S241 V242 T243 F316 W319 L320 L329	F186-W239 HydrophobicContact CB-CE3 4.15Å; F186-W239 HydrophobicContact CB-CZ3 3.87Å; F186-W239 AromaticContact CD1-CE3 3.72Å; F186-W239 HydrophobicContact CD1-CE3 3.72Å; F186-W239 AromaticContact CD1-CZ3 3.81Å; F186-W239 HydrophobicContact CD1-CZ3 3.81Å; F186-W239 HydrophobicContact CD2-CD2 4.15Å; F186-W239 AromaticContact CD2-CE3 3.52Å; F186-W239 HydrophobicContact CD2-CE3 3.52Å; F186-W239 HydrophobicContact CD2-CZ3 4.13Å; F186-W239 AromaticContact CE1-CE3 3.9Å; F186-W239 HydrophobicContact CE1-CE3 3.9Å; F186-W239 HydrophobicContact CE1-CZ3 4.36Å; F186-W239 HydrophobicContact CE2-CB 3.91Å; F186-W239 HydrophobicContact CE2-CD2 4.28Å; F186-W239 AromaticContact CE2-CE3 3.73Å; F186-W239 HydrophobicContact CE2-CE3 3.73Å; F186-W239 HydrophobicContact CE2-CG 4.37Å; F186-W239 AromaticContact CG-CE3 3.52Å; F186-W239 HydrophobicContact CG-CE3 3.52Å; F186-W239 AromaticContact CG-CZ3 3.68Å; F186-W239 HydrophobicContact CG-CZ3 3.68Å; F186-W239 HydrophobicContact CZ-CB 4.29Å; F186-W239 AromaticContact CZ-CE3 3.92Å; F186-W239 HydrophobicContact CZ-CE3 3.92Å; V212-W239 HydrophobicContact CG1-CB 3.63Å; W232-W239 AromaticContact CE3-CE2 3.91Å; W232-W239 AromaticContact CE3-CH2 3.71Å; W232-W239 HydrophobicContact CE3-CH2 3.71Å; W232-W239 AromaticContact CE3-CZ2 3.51Å; W232-W239 HydrophobicContact CE3-CZ2 3.51Å; W232-W239 HydrophobicContact CE3-CZ3 4.28Å; W232-W239 AromaticContact CZ3-CD2 3.9Å; W232-W239 HydrophobicContact CZ3-CD2 3.9Å; W232-W239 AromaticContact CZ3-CE2 3.72Å; W232-W239 HydrophobicContact CZ3-CE3 4.06Å; W232-W239 AromaticContact CZ3-CH2 3.93Å; W232-W239 HydrophobicContact CZ3-CH2 3.93Å; W232-W239 AromaticContact CZ3-CZ2 3.76Å; W232-W239 HydrophobicContact CZ3-CZ2 3.76Å; W232-W239 HydrophobicContact CZ3-CZ3 4.07Å; W232-W239 WeakPolarHBondContact O-CZ2 3.49Å; I233-W239 PolarHBondContact O-NE1 3.46Å; R235-W239 HydrophobicContact CB-CZ2 4.4Å; V236-W239 HydrophobicContact CB-CD2 4.16Å; V236-W239 HydrophobicContact CB-CG 4.43Å; V236-W239 HydrophobicContact CB-CZ2 3.96Å; V236-W239 HydrophobicContact CG2-CD2 4.24Å; V236-W239 HydrophobicContact CG2-CE3 4.46Å; V236-W239 HydrophobicContact CG2-CH2 3.77Å; V236-W239 HydrophobicContact CG2-CZ2 3.47Å; V236-W239 VanDerWaalsContact CG2-CZ2 3.47Å; V236-W239 HydrophobicContact CG2-CZ3 4.27Å; W239-S241 VanDerWaalsContact C-N 3.34Å; W239-V242 HydrophobicContact CD2-CG2 4.36Å; W239-V242 HydrophobicContact CE3-CG2 3.69Å; W239-V242 HydrophobicContact CZ3-CG2 4.14Å; W239-V242 WeakPolarHBondContact O-CG2 3.13Å; W239-T243 PolarHBondContact O-N 3.04Å; W239-T243 PolarHBondContact O-OG1 2.69Å; W239-F316 HydrophobicContact CH2-CE2 4.27Å; W239-F316 HydrophobicContact CH2-CZ 4.21Å; W239-F316 HydrophobicContact CZ3-CE2 4.28Å; W239-W319 HydrophobicContact CZ3-CZ3 4.32Å; W239-L320 HydrophobicContact CH2-CD1 4.24Å; W239-L329 HydrophobicContact CH2-CD2 4.15Å
240	S	91.3	Very high	86.2	Confident	9 Å²	9	43.9 Å²	43.9	6%	0.063	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-36.4	177.6	97.6	0	0	0	0	111.7	C209 R213 D238 V242 T243	C209-S240 WeakPolarHBondContact O-CB 3.45Å; C209-S240 PolarHBondContact SG-O 3.27Å; R213-S240 PolarHBondContact NH1-OG 3Å; D238-S240 VanDerWaalsContact CG-OG 3.27Å; D238-S240 PolarHBondContact O-N 3.49Å; D238-S240 WeakPolarHBondContact OD1-CB 3.32Å; D238-S240 PolarHBondContact OD1-N 2.87Å; D238-S240 PolarHBondContact OD1-OG 3.36Å; D238-S240 VanDerWaalsContact OD1-OG 3.11Å; D238-S240 WeakPolarHBondContact OD2-CB 3.08Å; D238-S240 PolarHBondContact OD2-OG 3.35Å; S240-V242 PolarHBondContact O-N 3.17Å; S240-T243 WeakPolarHBondContact CA-OG1 3.13Å; S240-T243 VanDerWaalsContact O-CB 3.24Å; S240-T243 WeakPolarHBondContact O-CB 3.42Å; S240-T243 PolarHBondContact O-N 3.37Å; S240-T243 PolarHBondContact O-OG1 3.24Å
241	S	91.5	Very high	87.5	Confident	46 Å²	46	43.9 Å²	43.9	32%	0.322	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-44.7	174.7	72.2	0	0	0	0	113.8	D238 W239 T243	D238-S241 PolarHBondContact O-N 3.3Å; D238-S241 PolarHBondContact O-OG 3.44Å; D238-S241 PolarHBondContact OD2-N 2.67Å; W239-S241 VanDerWaalsContact C-N 3.34Å; S241-T243 VanDerWaalsContact C-N 3.32Å; S241-T243 PolarHBondContact O-N 3.17Å
242	V	91.8	Very high	88.2	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.2	-179.3	-64.1	0	0	0	0	114.1	V236 W239 S240 H244 H245 A246 L329 A332 V333 I336	V236-V242 HydrophobicContact CG1-CG1 4.21Å; V236-V242 HydrophobicContact CG1-CG2 4.32Å; W239-V242 HydrophobicContact CD2-CG2 4.36Å; W239-V242 HydrophobicContact CE3-CG2 3.69Å; W239-V242 HydrophobicContact CZ3-CG2 4.14Å; W239-V242 WeakPolarHBondContact O-CG2 3.13Å; S240-V242 PolarHBondContact O-N 3.17Å; V242-H244 VanDerWaalsContact C-N 3.34Å; V242-H244 PolarHBondContact O-N 2.98Å; V242-H245 PolarHBondContact O-N 2.94Å; V242-A246 PolarHBondContact O-N 2.73Å; V242-A246 VanDerWaalsContact O-N 3.1Å; V242-L329 HydrophobicContact CB-CD1 4.27Å; V242-L329 HydrophobicContact CG1-CD1 3.9Å; V242-L329 HydrophobicContact CG2-CD1 4.31Å; V242-A332 HydrophobicContact CG1-CB 4.29Å; V242-V333 HydrophobicContact CG1-CG2 3.92Å; V242-I336 HydrophobicContact CB-CD1 4.45Å; V242-I336 HydrophobicContact CG1-CD1 3.59Å
243	T	93	Very high	87.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-41	-176.5	-66.6	0	0	0	0	112.5	L190 I208 W239 S240 S241 A246 L247	L190-T243 HydrophobicContact CD2-CG2 4.14Å; I208-T243 HydrophobicContact CB-CG2 4.31Å; I208-T243 HydrophobicContact CG2-CG2 3.7Å; W239-T243 PolarHBondContact O-N 3.04Å; W239-T243 PolarHBondContact O-OG1 2.69Å; S240-T243 WeakPolarHBondContact CA-OG1 3.13Å; S240-T243 VanDerWaalsContact O-CB 3.24Å; S240-T243 WeakPolarHBondContact O-CB 3.42Å; S240-T243 PolarHBondContact O-N 3.37Å; S240-T243 PolarHBondContact O-OG1 3.24Å; S241-T243 VanDerWaalsContact C-N 3.32Å; S241-T243 PolarHBondContact O-N 3.17Å; T243-A246 PolarHBondContact O-N 3.39Å; T243-L247 HydrophobicContact CG2-CD1 3.82Å; T243-L247 HydrophobicContact CG2-CG 4.44Å; T243-L247 WeakPolarHBondContact O-CG 3.47Å; T243-L247 PolarHBondContact O-N 2.78Å
244	H	89.7	Confident	86.9	Confident	54 Å²	54	45.6 Å²	45.6	25%	0.25	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-51.4	178.4	-165.8	-55.8	0	0	0	111.2	T205 V242 A246 L247 D248	T205-H244 HydrophobicContact CG2-CB 4.49Å; V242-H244 VanDerWaalsContact C-N 3.34Å; V242-H244 PolarHBondContact O-N 2.98Å; H244-A246 VanDerWaalsContact C-N 3.29Å; H244-A246 PolarHBondContact O-N 2.71Å; H244-L247 PolarHBondContact O-N 2.95Å; H244-L247 VanDerWaalsContact O-N 3.11Å; H244-D248 IonicContact CE1-OD1 3.58Å; H244-D248 PolarHBondContact CE1-OD1 2.87Å; H244-D248 IonicContact CE1-OD2 2.7Å; H244-D248 PolarHBondContact CE1-OD2 3Å; H244-D248 VanDerWaalsContact CE1-OD2 3.3Å; H244-D248 IonicContact ND1-OD1 3.51Å; H244-D248 PolarHBondContact ND1-OD1 2.92Å; H244-D248 VanDerWaalsContact ND1-OD1 3.15Å; H244-D248 IonicContact ND1-OD2 2.76Å; H244-D248 PolarHBondContact ND1-OD2 2.76Å; H244-D248 VanDerWaalsContact O-CG 3.23Å; H244-D248 PolarHBondContact O-N 3.06Å
245	H	90.2	Very high	85.6	Confident	40 Å²	40	42.9 Å²	42.9	19%	0.185	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-34.6	-179.7	-61.6	-76.1	0	0	0	113.1	V242 F249 A332	V242-H245 PolarHBondContact O-N 2.94Å; H245-F249 WeakPolarHBondContact O-CB 3.41Å; H245-F249 PolarHBondContact O-N 3.05Å; H245-F249 VanDerWaalsContact O-N 3.13Å; H245-A332 HydrophobicContact CB-CB 3.6Å
246	A	93	Very high	83.9	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.2	-41.4	174.1	0	0	0	0	0	112.3	F186 F187 L190 V242 T243 H244 L250 W319	F186-A246 HydrophobicContact CD1-CB 3.98Å; F186-A246 HydrophobicContact CE1-CB 3.72Å; F187-A246 HydrophobicContact CD1-CB 4.35Å; F187-A246 HydrophobicContact CE1-CB 3.87Å; L190-A246 HydrophobicContact CD1-CB 3.92Å; V242-A246 PolarHBondContact O-N 2.73Å; V242-A246 VanDerWaalsContact O-N 3.1Å; T243-A246 PolarHBondContact O-N 3.39Å; H244-A246 VanDerWaalsContact C-N 3.29Å; H244-A246 PolarHBondContact O-N 2.71Å; A246-L250 WeakPolarHBondContact O-CB 3.47Å; A246-L250 VanDerWaalsContact O-CG 3.26Å; A246-L250 WeakPolarHBondContact O-CG 3.41Å; A246-L250 PolarHBondContact O-N 2.82Å; A246-L250 VanDerWaalsContact O-N 3.09Å; A246-W319 HydrophobicContact CB-CH2 4.3Å; A246-W319 HydrophobicContact CB-CZ2 4.49Å
247	L	92.8	Very high	82.3	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.8	-41.7	177.3	-70.4	169.1	0	0	0	111.9	L190 L194 I208 T243 H244 F249 L250 T251 V274 W283	L190-L247 HydrophobicContact CD1-CD2 4.09Å; L190-L247 HydrophobicContact CD1-CG 4.26Å; L194-L247 HydrophobicContact CD1-CD2 4.43Å; I208-L247 HydrophobicContact CD1-CD1 3.75Å; I208-L247 HydrophobicContact CG2-CD1 4.43Å; T243-L247 HydrophobicContact CG2-CD1 3.82Å; T243-L247 HydrophobicContact CG2-CG 4.44Å; T243-L247 WeakPolarHBondContact O-CG 3.47Å; T243-L247 PolarHBondContact O-N 2.78Å; H244-L247 PolarHBondContact O-N 2.95Å; H244-L247 VanDerWaalsContact O-N 3.11Å; L247-F249 PolarHBondContact O-N 3.44Å; L247-L250 PolarHBondContact O-N 2.94Å; L247-T251 PolarHBondContact O-N 2.8Å; L247-V274 HydrophobicContact CD2-CG1 4.2Å; L247-V274 HydrophobicContact CD2-CG2 4.46Å; L247-V274 VanDerWaalsContact O-CG2 3.31Å; L247-V274 WeakPolarHBondContact O-CG2 3.42Å; L247-W283 HydrophobicContact CB-CD2 4.04Å; L247-W283 HydrophobicContact CB-CE3 3.89Å; L247-W283 HydrophobicContact CB-CH2 3.61Å; L247-W283 HydrophobicContact CB-CZ2 3.78Å; L247-W283 HydrophobicContact CB-CZ3 3.66Å; L247-W283 HydrophobicContact CD1-CD2 3.96Å; L247-W283 HydrophobicContact CD1-CG 4.09Å; L247-W283 HydrophobicContact CD1-CZ2 4.36Å; L247-W283 HydrophobicContact CD2-CD2 4.44Å; L247-W283 HydrophobicContact CD2-CE3 4.38Å; L247-W283 HydrophobicContact CG-CD2 4.38Å
248	D	88.7	Confident	80.1	Confident	45 Å²	45	33 Å²	33	24%	0.241	19%	0.191	C	C	.	.	H	α-helix	trans	-53.6	-53.2	172.1	-68.1	-28	0	0	0	110.6	H244 L250 T251	H244-D248 IonicContact CE1-OD1 3.58Å; H244-D248 PolarHBondContact CE1-OD1 2.87Å; H244-D248 IonicContact CE1-OD2 2.7Å; H244-D248 PolarHBondContact CE1-OD2 3Å; H244-D248 VanDerWaalsContact CE1-OD2 3.3Å; H244-D248 IonicContact ND1-OD1 3.51Å; H244-D248 PolarHBondContact ND1-OD1 2.92Å; H244-D248 VanDerWaalsContact ND1-OD1 3.15Å; H244-D248 IonicContact ND1-OD2 2.76Å; H244-D248 PolarHBondContact ND1-OD2 2.76Å; H244-D248 VanDerWaalsContact O-CG 3.23Å; H244-D248 PolarHBondContact O-N 3.06Å; D248-L250 VanDerWaalsContact C-N 3.29Å; D248-L250 PolarHBondContact O-N 2.81Å; D248-T251 WeakPolarHBondContact O-CB 3.41Å; D248-T251 WeakPolarHBondContact O-CG2 3.38Å; D248-T251 PolarHBondContact O-N 3.12Å; D248-T251 PolarHBondContact O-OG1 3.08Å
249	F	90.8	Very high	77.8	Confident	28 Å²	28	33.9 Å²	33.9	12%	0.123	20%	0.198	C	C	.	.	H	α-helix	trans	-59.4	-39.6	179.4	177.9	-104	0	0	0	112.1	F187 H245 L247 T251 A252 L267 C269 L315 W319	F187-F249 HydrophobicContact CE2-CD1 4.14Å; F187-F249 HydrophobicContact CE2-CE1 4.03Å; F187-F249 AromaticContact CZ-CD1 3.86Å; F187-F249 HydrophobicContact CZ-CD1 3.86Å; F187-F249 HydrophobicContact CZ-CE1 4.12Å; H245-F249 WeakPolarHBondContact O-CB 3.41Å; H245-F249 PolarHBondContact O-N 3.05Å; H245-F249 VanDerWaalsContact O-N 3.13Å; L247-F249 PolarHBondContact O-N 3.44Å; F249-T251 PolarHBondContact O-N 2.85Å; F249-A252 PolarHBondContact O-N 2.88Å; F249-A252 VanDerWaalsContact O-N 3.17Å; F249-L267 HydrophobicContact CE1-CD2 4.47Å; F249-L267 HydrophobicContact CE2-CB 4.49Å; F249-L267 HydrophobicContact CE2-CD2 4Å; F249-L267 HydrophobicContact CE2-CG 3.88Å; F249-L267 HydrophobicContact CZ-CD2 3.67Å; F249-L267 HydrophobicContact CZ-CG 3.72Å; F249-C269 HydrophobicContact CD1-CB 4.39Å; F249-C269 HydrophobicContact CD2-CB 4.25Å; F249-C269 HydrophobicContact CE1-CB 4.1Å; F249-C269 HydrophobicContact CE2-CB 3.95Å; F249-C269 HydrophobicContact CG-CB 4.45Å; F249-C269 HydrophobicContact CZ-CB 3.86Å; F249-C269 WeakPolarHBondContact O-CB 3.15Å; F249-C269 PolarHBondContact O-SG 3.37Å; F249-L315 HydrophobicContact CE1-CD1 3.92Å; F249-L315 HydrophobicContact CE1-CD2 4Å; F249-L315 HydrophobicContact CE1-CG 3.82Å; F249-L315 HydrophobicContact CZ-CD1 3.88Å; F249-L315 HydrophobicContact CZ-CG 4.31Å; F249-W319 AromaticContact CD1-CD1 3.91Å; F249-W319 HydrophobicContact CD1-CG 4.45Å; F249-W319 HydrophobicContact CE1-CB 4.39Å; F249-W319 HydrophobicContact CE1-CG 4.42Å
250	L	92.7	Very high	74.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-4.6	176.2	-71.3	170.3	0	0	0	114.5	F187 L190 A246 L247 D248 A252 F273 V274 W285 L312 L315	F187-L250 HydrophobicContact CB-CD1 4.08Å; F187-L250 HydrophobicContact CB-CD2 4.47Å; F187-L250 HydrophobicContact CD1-CD1 3.87Å; F187-L250 HydrophobicContact CD1-CG 4.41Å; F187-L250 HydrophobicContact CD2-CD2 3.96Å; F187-L250 HydrophobicContact CE1-CD1 4.45Å; F187-L250 HydrophobicContact CE2-CD2 4.31Å; F187-L250 HydrophobicContact CG-CD1 3.94Å; F187-L250 HydrophobicContact CG-CD2 4.14Å; F187-L250 HydrophobicContact CG-CG 4.37Å; L190-L250 HydrophobicContact CD1-CD1 4.37Å; A246-L250 WeakPolarHBondContact O-CB 3.47Å; A246-L250 VanDerWaalsContact O-CG 3.26Å; A246-L250 WeakPolarHBondContact O-CG 3.41Å; A246-L250 PolarHBondContact O-N 2.82Å; A246-L250 VanDerWaalsContact O-N 3.09Å; L247-L250 PolarHBondContact O-N 2.94Å; D248-L250 VanDerWaalsContact C-N 3.29Å; D248-L250 PolarHBondContact O-N 2.81Å; L250-A252 VanDerWaalsContact C-N 3.31Å; L250-F273 HydrophobicContact CB-CB 4.41Å; L250-F273 HydrophobicContact CD2-CB 4.16Å; L250-F273 HydrophobicContact CD2-CD2 3.8Å; L250-F273 HydrophobicContact CD2-CE2 4.45Å; L250-F273 HydrophobicContact CD2-CG 4.1Å; L250-F273 PolarHBondContact O-N 2.85Å; L250-V274 HydrophobicContact CB-CG1 4.49Å; L250-V274 HydrophobicContact CB-CG2 3.75Å; L250-V274 PolarHBondContact O-N 3.12Å; L250-V274 VanDerWaalsContact O-N 3.14Å; L250-W285 HydrophobicContact CD1-CH2 4.08Å; L250-W285 HydrophobicContact CD1-CZ3 4.25Å; L250-L312 HydrophobicContact CD2-CD2 3.97Å; L250-L315 HydrophobicContact CD2-CD2 4.18Å
251	T	88.8	Confident	72.4	Confident	13 Å²	13	48.9 Å²	48.9	8%	0.08	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-20.4	167.5	68.7	0	0	0	0	113.3	L247 D248 F249 E253 P272 V274 W283	L247-T251 PolarHBondContact O-N 2.8Å; D248-T251 WeakPolarHBondContact O-CB 3.41Å; D248-T251 WeakPolarHBondContact O-CG2 3.38Å; D248-T251 PolarHBondContact O-N 3.12Å; D248-T251 PolarHBondContact O-OG1 3.08Å; F249-T251 PolarHBondContact O-N 2.85Å; T251-E253 PolarHBondContact O-N 3.19Å; T251-E253 VanDerWaalsContact O-N 3.17Å; T251-E253 WeakPolarHBondContact OG1-CB 3.32Å; T251-E253 PolarHBondContact OG1-N 3.27Å; T251-P272 VanDerWaalsContact O-CB 3.32Å; T251-P272 WeakPolarHBondContact O-CB 3.42Å; T251-V274 HydrophobicContact CG2-CG2 4.16Å; T251-W283 HydrophobicContact CG2-CH2 4.34Å; T251-W283 HydrophobicContact CG2-CZ3 3.72Å
252	A	86.4	Confident	69.8	Low	15 Å²	15	54.8 Å²	54.8	12%	0.124	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	16.5	-166.2	0	0	0	0	0	115.7	F249 L250 C269 P272	F249-A252 PolarHBondContact O-N 2.88Å; F249-A252 VanDerWaalsContact O-N 3.17Å; L250-A252 VanDerWaalsContact C-N 3.31Å; A252-C269 HydrophobicContact CB-CB 3.95Å; A252-C269 WeakPolarHBondContact CB-O 3.23Å; A252-P272 HydrophobicContact CB-CB 4.49Å
253	E	76	Confident	67.4	Low	62 Å²	62	56.9 Å²	56.9	29%	0.29	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-75.4	135.7	164.4	-66.4	175.8	-142.1	0	0	108.9	T251 S255 S582 V617 K621	T251-E253 PolarHBondContact O-N 3.19Å; T251-E253 VanDerWaalsContact O-N 3.17Å; T251-E253 WeakPolarHBondContact OG1-CB 3.32Å; T251-E253 PolarHBondContact OG1-N 3.27Å; E253-S255 PolarHBondContact O-N 2.84Å; E253-S582 VanDerWaalsContact OE2-CB 3.23Å; E253-S582 WeakPolarHBondContact OE2-CB 3.41Å; E253-S582 PolarHBondContact OE2-OG 3.41Å; E253-V617 HydrophobicContact CG-CG1 4.32Å; E253-K621 IonicContact OE1-NZ 3.24Å; E253-K621 PolarHBondContact OE1-NZ 3.42Å
254	S	59.7	Low	65.4	Low	79 Å²	79	63.1 Å²	63.1	55%	0.552	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-62	125.3	-178	53.5	0	0	0	0	110.6
255	S	52.2	Low	64.2	Low	72 Å²	72	70.3 Å²	70.3	50%	0.503	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-59.3	144.7	176.8	58.6	0	0	0	0	111.3	E253 R266	E253-S255 PolarHBondContact O-N 2.84Å; S255-R266 PolarHBondContact OG-NH1 2.82Å
256	P	48.5	Very low	63.4	Low	30 Å²	30	72.2 Å²	72.2	20%	0.195	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-58.3	154.7	-178.2	22.7	-32.8	0	0	0	111.6	S258	P256-S258 PolarHBondContact O-N 2.84Å
257	E	50.5	Low	63	Low	101 Å²	101	74.3 Å²	74.3	47%	0.472	39%	0.39	S	S	.	.	S	Bend	trans	-71.2	9.1	-169.5	-69.3	167.3	122.8	0	0	114.6	V259 R602	E257-V259 PolarHBondContact O-N 3.42Å; E257-R602 IonicContact OE2-CZ 2.74Å; E257-R602 IonicContact OE2-NE 3.54Å; E257-R602 PolarHBondContact OE2-NE 3.33Å; E257-R602 IonicContact OE2-NH2 2.94Å; E257-R602 PolarHBondContact OE2-NH2 3.47Å
258	S	36.9	Very low	62.5	Low	45 Å²	45	78.5 Å²	78.5	32%	0.315	42%	0.415	S	S	.	.			trans	-66	78.8	168.5	55.5	0	0	0	0	111.4	P256	P256-S258 PolarHBondContact O-N 2.84Å
259	V	37.3	Very low	62.4	Low	73 Å²	73	76.6 Å²	76.6	44%	0.442	41%	0.405	S	S	.	.	S	Bend	trans	173.4	110.7	139.2	152.5	0	0	0	0	106.2	E257 R261 R266	E257-V259 PolarHBondContact O-N 3.42Å; V259-R261 PolarHBondContact O-N 3.44Å; V259-R266 PolarHBondContact O-NH2 3.49Å
260	I	32.2	Very low	62.2	Low	134 Å²	134	78.2 Å²	78.2	69%	0.687	42%	0.418	S	S	*	.			trans	-72.7	93	-172.8	-54.4	171.3	0	0	0	110.7
261	R	37.4	Very low	61.9	Low	190 Å²	190	79.3 Å²	79.3	72%	0.717	42%	0.422	S	S	*	.			trans	-147.1	126.2	159.8	-62.8	-169	-174.2	-149.6	-3.6	110.4	V259 S263	V259-R261 PolarHBondContact O-N 3.44Å; R261-S263 PolarHBondContact O-N 3.18Å
262	N	37.4	Very low	62	Low	170 Å²	170	78.7 Å²	78.7	91%	0.909	42%	0.419	S	S	*	.			trans	-74.5	50.5	178.3	-64.5	1.7	0	0	0	112.3
263	S	40.8	Very low	62.3	Low	44 Å²	44	78 Å²	78	31%	0.308	41%	0.413	S	S	.	.			trans	-102.7	106.4	-176.2	-174.1	0	0	0	0	110.4	R261 R265 R266	R261-S263 PolarHBondContact O-N 3.18Å; S263-R265 PolarHBondContact O-N 3.23Å; S263-R266 PolarHBondContact O-N 2.7Å
264	S	52.3	Low	63	Low	131 Å²	131	75 Å²	75	92%	0.916	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	32.4	171.1	-39.4	0	0	0	0	113.2
265	R	64	Low	64.4	Low	205 Å²	205	73 Å²	73	77%	0.774	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.7	10	-174.7	-52.7	-176.8	178.9	-135.6	1.7	112.9	S263 L326	S263-R265 PolarHBondContact O-N 3.23Å; R265-L326 HydrophobicContact CB-CD2 4.48Å
266	R	73.7	Confident	66	Low	80 Å²	80	70.7 Å²	70.7	30%	0.302	36%	0.364	S	S	.	.			trans	-54.2	141.4	166.6	-78.5	-170.1	175.4	-160.4	1.6	108.4	S255 V259 S263 V268	S255-R266 PolarHBondContact OG-NH1 2.82Å; V259-R266 PolarHBondContact O-NH2 3.49Å; S263-R266 PolarHBondContact O-N 2.7Å; R266-V268 PolarHBondContact O-N 2.8Å
267	L	83.4	Confident	67.4	Low	44 Å²	44	72.2 Å²	72.2	23%	0.23	37%	0.367	C	S	.	.			trans	-70.2	128.3	174.8	-177.4	66.9	0	0	0	109	F249 D318 W319 A322 L326	F249-L267 HydrophobicContact CE1-CD2 4.47Å; F249-L267 HydrophobicContact CE2-CB 4.49Å; F249-L267 HydrophobicContact CE2-CD2 4Å; F249-L267 HydrophobicContact CE2-CG 3.88Å; F249-L267 HydrophobicContact CZ-CD2 3.67Å; F249-L267 HydrophobicContact CZ-CG 3.72Å; L267-D318 HydrophobicContact CD1-CB 4.07Å; L267-W319 VanDerWaalsContact CD2-CA 3.42Å; L267-W319 HydrophobicContact CD2-CB 3.79Å; L267-W319 HydrophobicContact CD2-CG 4.3Å; L267-A322 HydrophobicContact CD2-CB 4.28Å; L267-L326 WeakPolarHBondContact CB-O 3.22Å; L267-L326 PolarHBondContact N-O 2.78Å
268	V	82.9	Confident	68	Low	87 Å²	87	71.2 Å²	71.2	53%	0.527	37%	0.369	S	S	.	.			trans	-117	131.6	-180	179.5	0	0	0	0	108.7	R266	R266-V268 PolarHBondContact O-N 2.8Å
269	C	87.3	Confident	69.2	Low	6 Å²	6	80 Å²	80	4%	0.041	40%	0.396	C	S	.	.			trans	-73.9	121.8	171.3	-173.2	0	0	0	0	108.8	F249 A252 R271	F249-C269 HydrophobicContact CD1-CB 4.39Å; F249-C269 HydrophobicContact CD2-CB 4.25Å; F249-C269 HydrophobicContact CE1-CB 4.1Å; F249-C269 HydrophobicContact CE2-CB 3.95Å; F249-C269 HydrophobicContact CG-CB 4.45Å; F249-C269 HydrophobicContact CZ-CB 3.86Å; F249-C269 WeakPolarHBondContact O-CB 3.15Å; F249-C269 PolarHBondContact O-SG 3.37Å; A252-C269 HydrophobicContact CB-CB 3.95Å; A252-C269 WeakPolarHBondContact CB-O 3.23Å; C269-R271 VanDerWaalsContact C-N 3.3Å; C269-R271 PolarHBondContact O-N 2.85Å; C269-R271 PolarHBondContact SG-O 3.49Å
270	P	85.2	Confident	71.1	Confident	62 Å²	62	79.9 Å²	79.9	40%	0.403	39%	0.392	S	S	.	.	S	Bend	trans	-74	-19.4	-164.2	28.6	-36.7	0	0	0	114.3	I635	P270-I635 WeakPolarHBondContact O-CD1 3.21Å
271	R	86.8	Confident	73.4	Confident	22 Å²	22	79.7 Å²	79.7	8%	0.083	39%	0.388	C	S	.	.	S	Bend	trans	-156	155.9	176	66.4	175.7	-179.1	88.5	-12.6	109.4	C269 F273 E308 E311 T620 T630	C269-R271 VanDerWaalsContact C-N 3.3Å; C269-R271 PolarHBondContact O-N 2.85Å; C269-R271 PolarHBondContact SG-O 3.49Å; R271-F273 HydrophobicContact CG-CD2 4.32Å; R271-F273 HydrophobicContact CG-CE1 4.39Å; R271-F273 HydrophobicContact CG-CE2 3.8Å; R271-F273 HydrophobicContact CG-CZ 3.84Å; R271-F273 VanDerWaalsContact NH2-CE1 3.28Å; R271-F273 WeakPolarHBondContact O-CD2 3.37Å; R271-F273 WeakPolarHBondContact O-CE2 3.45Å; R271-E308 IonicContact CZ-OE2 2.73Å; R271-E308 IonicContact NH1-OE2 2.63Å; R271-E308 PolarHBondContact NH1-OE2 2.79Å; R271-E308 VanDerWaalsContact NH1-OE2 3.12Å; R271-E308 VanDerWaalsContact NH2-CG 3.35Å; R271-E308 IonicContact NH2-OE2 3.71Å; R271-E308 PolarHBondContact NH2-OE2 3.42Å; R271-E311 IonicContact CZ-OE2 3.71Å; R271-E311 IonicContact NE-OE2 3.7Å; R271-E311 PolarHBondContact NE-OE2 2.69Å; R271-E311 IonicContact NH2-OE2 2.81Å; R271-E311 PolarHBondContact NH2-OE2 3.49Å; R271-T620 HydrophobicContact CB-CG2 4.33Å; R271-T630 VanDerWaalsContact CD-OG1 3.29Å; R271-T630 WeakPolarHBondContact CD-OG1 3.43Å
272	P	90.9	Very high	75.9	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.364	C	S	.	.			trans	-63.4	137.2	169.2	28.4	-37.2	0	0	0	111.1	T251 A252 L286 V617 T620 K621 I624	T251-P272 VanDerWaalsContact O-CB 3.32Å; T251-P272 WeakPolarHBondContact O-CB 3.42Å; A252-P272 HydrophobicContact CB-CB 4.49Å; P272-L286 HydrophobicContact CB-CD1 3.65Å; P272-L286 HydrophobicContact CG-CD1 4.21Å; P272-V617 HydrophobicContact CB-CG1 4.48Å; P272-V617 HydrophobicContact CG-CG1 4.4Å; P272-T620 HydrophobicContact CG-CG2 3.95Å; P272-K621 HydrophobicContact CB-CD 4.47Å; P272-K621 HydrophobicContact CB-CG 3.64Å; P272-K621 HydrophobicContact CG-CB 4.46Å; P272-K621 HydrophobicContact CG-CG 3.57Å; P272-I624 HydrophobicContact CG-CD1 4.23Å; P272-I624 VanDerWaalsContact O-CD1 3.22Å; P272-I624 WeakPolarHBondContact O-CD1 3.47Å
273	F	92.1	Very high	78.4	Confident	1 Å²	1	64.7 Å²	64.7	0%	0.004	32%	0.321	C	S	.	.			trans	-116.4	-37.3	172.4	-64.3	-97.5	0	0	0	111.6	L250 R271 W285 L286 E308 E311 L312 L315	L250-F273 HydrophobicContact CB-CB 4.41Å; L250-F273 HydrophobicContact CD2-CB 4.16Å; L250-F273 HydrophobicContact CD2-CD2 3.8Å; L250-F273 HydrophobicContact CD2-CE2 4.45Å; L250-F273 HydrophobicContact CD2-CG 4.1Å; L250-F273 PolarHBondContact O-N 2.85Å; R271-F273 HydrophobicContact CG-CD2 4.32Å; R271-F273 HydrophobicContact CG-CE1 4.39Å; R271-F273 HydrophobicContact CG-CE2 3.8Å; R271-F273 HydrophobicContact CG-CZ 3.84Å; R271-F273 VanDerWaalsContact NH2-CE1 3.28Å; R271-F273 WeakPolarHBondContact O-CD2 3.37Å; R271-F273 WeakPolarHBondContact O-CE2 3.45Å; F273-W285 HydrophobicContact CB-CH2 4.06Å; F273-W285 HydrophobicContact CB-CZ2 3.68Å; F273-W285 HydrophobicContact CD1-CZ2 4.11Å; F273-W285 HydrophobicContact CG-CZ2 4.3Å; F273-L286 WeakPolarHBondContact O-CB 3.44Å; F273-L286 PolarHBondContact O-N 3.35Å; F273-E308 HydrophobicContact CD1-CG 4.04Å; F273-E308 HydrophobicContact CE1-CG 4Å; F273-E311 HydrophobicContact CE1-CB 4.41Å; F273-E311 HydrophobicContact CZ-CB 4.39Å; F273-L312 HydrophobicContact CD1-CD2 3.53Å; F273-L312 HydrophobicContact CD1-CG 4.2Å; F273-L312 HydrophobicContact CD2-CD2 4.49Å; F273-L312 HydrophobicContact CE1-CD2 3.59Å; F273-L312 HydrophobicContact CE1-CG 4.05Å; F273-L312 HydrophobicContact CG-CD2 4.01Å; F273-L312 HydrophobicContact CZ-CD2 4.15Å; F273-L315 HydrophobicContact CD2-CD2 4.44Å; F273-L315 HydrophobicContact CE2-CD2 3.68Å; F273-L315 HydrophobicContact CZ-CD2 4.12Å
274	V	92	Very high	80.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	162.1	172	-62.2	0	0	0	0	111.4	L194 L247 L250 T251 W283 C284 W285	L194-V274 HydrophobicContact CD1-CG1 4.17Å; L247-V274 HydrophobicContact CD2-CG1 4.2Å; L247-V274 HydrophobicContact CD2-CG2 4.46Å; L247-V274 VanDerWaalsContact O-CG2 3.31Å; L247-V274 WeakPolarHBondContact O-CG2 3.42Å; L250-V274 HydrophobicContact CB-CG1 4.49Å; L250-V274 HydrophobicContact CB-CG2 3.75Å; L250-V274 PolarHBondContact O-N 3.12Å; L250-V274 VanDerWaalsContact O-N 3.14Å; T251-V274 HydrophobicContact CG2-CG2 4.16Å; V274-W283 HydrophobicContact CB-CE3 4.28Å; V274-W283 HydrophobicContact CG2-CE3 3.82Å; V274-W283 HydrophobicContact CG2-CZ3 3.87Å; V274-C284 WeakPolarHBondContact CA-O 3.26Å; V274-W285 HydrophobicContact CG1-CD2 4.04Å; V274-W285 HydrophobicContact CG1-CE3 3.28Å; V274-W285 HydrophobicContact CG1-CH2 4.3Å; V274-W285 HydrophobicContact CG1-CZ3 3.44Å; V274-W285 VanDerWaalsContact CG1-CZ3 3.44Å
275	N	88.3	Confident	82.6	Confident	35 Å²	35	56.5 Å²	56.5	19%	0.187	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	125.6	165.7	-173.2	67.5	0	0	0	110.6	C284 L286 K621	N275-C284 PolarHBondContact N-O 3.44Å; N275-C284 PolarHBondContact O-N 2.99Å; N275-C284 PolarHBondContact O-SG 3.46Å; N275-C284 VanDerWaalsContact O-SG 3.37Å; N275-L286 HydrophobicContact CB-CD2 3.87Å; N275-L286 HydrophobicContact CB-CG 4.3Å; N275-K621 WeakPolarHBondContact OD1-CD 3.31Å; N275-K621 WeakPolarHBondContact OD1-CE 3.46Å; N275-K621 PolarHBondContact OD1-NZ 3.05Å
276	L	85.7	Confident	83.7	Confident	25 Å²	25	46.8 Å²	46.8	13%	0.131	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.3	166.3	179.2	61.8	0	0	0	109	P278 W283 T581	L276-P278 WeakPolarHBondContact O-CD 3.36Å; L276-W283 HydrophobicContact CB-CD2 4.21Å; L276-W283 HydrophobicContact CB-CE3 3.89Å; L276-W283 HydrophobicContact CB-CH2 4.13Å; L276-W283 HydrophobicContact CB-CZ2 4.43Å; L276-W283 HydrophobicContact CB-CZ3 3.85Å; L276-W283 HydrophobicContact CD1-CD2 4.07Å; L276-W283 HydrophobicContact CD1-CG 4.33Å; L276-W283 HydrophobicContact CD1-CZ2 4.28Å; L276-W283 HydrophobicContact CD2-CH2 4.35Å; L276-W283 HydrophobicContact CD2-CZ2 4.23Å; L276-T581 HydrophobicContact CD2-CG2 3.81Å
277	K	78.5	Confident	84.2	Confident	62 Å²	62	43.4 Å²	43.4	27%	0.27	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	103.6	162.2	-79.2	-166.4	171.5	-167.5	0	108.1	R279 I280 H281 Q282	K277-R279 PolarHBondContact O-N 3.43Å; K277-I280 HydrophobicContact CB-CD1 4.5Å; K277-I280 HydrophobicContact CB-CG1 4.34Å; K277-I280 HydrophobicContact CD-CD1 3.86Å; K277-I280 PolarHBondContact O-N 2.96Å; K277-I280 VanDerWaalsContact O-N 3.12Å; K277-H281 PolarHBondContact O-N 3.15Å; K277-Q282 PolarHBondContact N-O 3.3Å
278	P	62.9	Low	83.6	Confident	79 Å²	79	44.2 Å²	44.2	51%	0.513	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-59.7	-41.6	-168.6	-26.8	36.3	0	0	0	113.6	L276 I280 H281	L276-P278 WeakPolarHBondContact O-CD 3.36Å; P278-I280 PolarHBondContact O-N 2.89Å; P278-I280 VanDerWaalsContact O-N 3.16Å; P278-H281 PolarHBondContact O-CD2 2.87Å; P278-H281 PolarHBondContact O-N 2.94Å; P278-H281 PolarHBondContact O-NE2 3.39Å
279	R	62.6	Low	82.7	Confident	229 Å²	229	41.1 Å²	41.1	86%	0.864	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-64.8	-17	-179.4	-64.7	-174.5	-173.7	153.8	4.8	115.5	K277	K277-R279 PolarHBondContact O-N 3.43Å
280	I	76.3	Confident	81.4	Confident	71 Å²	71	43.2 Å²	43.2	36%	0.364	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-118.9	-3.5	-176.7	-31.6	-179	0	0	0	110.7	K277 P278 Q282	K277-I280 HydrophobicContact CB-CD1 4.5Å; K277-I280 HydrophobicContact CB-CG1 4.34Å; K277-I280 HydrophobicContact CD-CD1 3.86Å; K277-I280 PolarHBondContact O-N 2.96Å; K277-I280 VanDerWaalsContact O-N 3.12Å; P278-I280 PolarHBondContact O-N 2.89Å; P278-I280 VanDerWaalsContact O-N 3.16Å; I280-Q282 HydrophobicContact CB-CB 4.35Å; I280-Q282 HydrophobicContact CB-CG 4.33Å; I280-Q282 HydrophobicContact CG2-CG 4.02Å; I280-Q282 WeakPolarHBondContact O-CG 3.4Å; I280-Q282 PolarHBondContact O-N 3.38Å
281	H	81.5	Confident	79.9	Confident	130 Å²	130	45.3 Å²	45.3	60%	0.602	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	30.9	-173.8	-55.9	-89.4	0	0	0	113.8	T204 K277 P278	T204-H281 WeakPolarHBondContact CA-O 3.48Å; K277-H281 PolarHBondContact O-N 3.15Å; P278-H281 PolarHBondContact O-CD2 2.87Å; P278-H281 PolarHBondContact O-N 2.94Å; P278-H281 PolarHBondContact O-NE2 3.39Å
282	Q	89.2	Confident	78.4	Confident	45 Å²	45	48.3 Å²	48.3	21%	0.21	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.6	-177.2	-80.5	175.2	4.4	0	0	111.2	R202 L203 T204 K277 I280	R202-Q282 HydrophobicContact CB-CB 4.24Å; R202-Q282 HydrophobicContact CB-CG 4.35Å; R202-Q282 VanDerWaalsContact CB-OE1 3.29Å; L203-Q282 CarbonylContact O-C 3.45Å; L203-Q282 WeakPolarHBondContact O-CA 3.22Å; T204-Q282 HydrophobicContact CG2-CG 4.05Å; K277-Q282 PolarHBondContact N-O 3.3Å; I280-Q282 HydrophobicContact CB-CB 4.35Å; I280-Q282 HydrophobicContact CB-CG 4.33Å; I280-Q282 HydrophobicContact CG2-CG 4.02Å; I280-Q282 WeakPolarHBondContact O-CG 3.4Å; I280-Q282 PolarHBondContact O-N 3.38Å
283	W	90.9	Very high	76.4	Confident	1 Å²	1	52.8 Å²	52.8	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	149	168.9	-58.5	89	0	0	0	110.6	L194 R202 L203 T205 I208 L247 T251 V274 L276	L194-W283 HydrophobicContact CD1-CB 4.49Å; L194-W283 HydrophobicContact CD2-CB 4.34Å; R202-W283 WeakPolarHBondContact CA-O 3.39Å; L203-W283 PolarHBondContact N-O 2.82Å; L203-W283 VanDerWaalsContact N-O 3.08Å; L203-W283 PolarHBondContact O-N 3.33Å; T205-W283 PolarHBondContact OG1-NE1 3.29Å; I208-W283 HydrophobicContact CD1-CB 3.9Å; I208-W283 HydrophobicContact CD1-CG 3.96Å; L247-W283 HydrophobicContact CB-CD2 4.04Å; L247-W283 HydrophobicContact CB-CE3 3.89Å; L247-W283 HydrophobicContact CB-CH2 3.61Å; L247-W283 HydrophobicContact CB-CZ2 3.78Å; L247-W283 HydrophobicContact CB-CZ3 3.66Å; L247-W283 HydrophobicContact CD1-CD2 3.96Å; L247-W283 HydrophobicContact CD1-CG 4.09Å; L247-W283 HydrophobicContact CD1-CZ2 4.36Å; L247-W283 HydrophobicContact CD2-CD2 4.44Å; L247-W283 HydrophobicContact CD2-CE3 4.38Å; L247-W283 HydrophobicContact CG-CD2 4.38Å; T251-W283 HydrophobicContact CG2-CH2 4.34Å; T251-W283 HydrophobicContact CG2-CZ3 3.72Å; V274-W283 HydrophobicContact CB-CE3 4.28Å; V274-W283 HydrophobicContact CG2-CE3 3.82Å; V274-W283 HydrophobicContact CG2-CZ3 3.87Å; L276-W283 HydrophobicContact CB-CD2 4.21Å; L276-W283 HydrophobicContact CB-CE3 3.89Å; L276-W283 HydrophobicContact CB-CH2 4.13Å; L276-W283 HydrophobicContact CB-CZ2 4.43Å; L276-W283 HydrophobicContact CB-CZ3 3.85Å; L276-W283 HydrophobicContact CD1-CD2 4.07Å; L276-W283 HydrophobicContact CD1-CG 4.33Å; L276-W283 HydrophobicContact CD1-CZ2 4.28Å; L276-W283 HydrophobicContact CD2-CH2 4.35Å; L276-W283 HydrophobicContact CD2-CZ2 4.23Å
284	C	89.6	Confident	74.5	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.014	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.5	166.2	60.7	0	0	0	0	110.2	R200 V274 N275	R200-C284 HydrophobicContact CG-CB 4.48Å; R200-C284 PolarHBondContact NH2-SG 3.01Å; V274-C284 WeakPolarHBondContact CA-O 3.26Å; N275-C284 PolarHBondContact N-O 3.44Å; N275-C284 PolarHBondContact O-N 2.99Å; N275-C284 PolarHBondContact O-SG 3.46Å; N275-C284 VanDerWaalsContact O-SG 3.37Å
285	W	91	Very high	72.6	Confident	1 Å²	1	58.6 Å²	58.6	0%	0.004	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	143.6	169.3	-150.3	-95.6	0	0	0	109.9	R191 L194 T195 L250 F273 V274 E308 L312	R191-W285 HydrophobicContact CB-CD2 3.88Å; R191-W285 HydrophobicContact CB-CE3 3.8Å; R191-W285 HydrophobicContact CB-CH2 3.77Å; R191-W285 HydrophobicContact CB-CZ2 3.81Å; R191-W285 HydrophobicContact CB-CZ3 3.75Å; R191-W285 VanDerWaalsContact CD-CE2 3.48Å; R191-W285 VanDerWaalsContact CD-NE1 3.32Å; R191-W285 HydrophobicContact CG-CD2 3.58Å; R191-W285 VanDerWaalsContact CG-CE2 3.5Å; R191-W285 HydrophobicContact CG-CE3 4.03Å; R191-W285 HydrophobicContact CG-CG 3.91Å; R191-W285 HydrophobicContact CG-CH2 4.38Å; R191-W285 HydrophobicContact CG-CZ2 3.95Å; R191-W285 HydrophobicContact CG-CZ3 4.4Å; L194-W285 HydrophobicContact CB-CB 4.09Å; L194-W285 HydrophobicContact CD1-CE3 3.95Å; T195-W285 HydrophobicContact CG2-CB 3.68Å; T195-W285 HydrophobicContact CG2-CG 3.98Å; L250-W285 HydrophobicContact CD1-CH2 4.08Å; L250-W285 HydrophobicContact CD1-CZ3 4.25Å; F273-W285 HydrophobicContact CB-CH2 4.06Å; F273-W285 HydrophobicContact CB-CZ2 3.68Å; F273-W285 HydrophobicContact CD1-CZ2 4.11Å; F273-W285 HydrophobicContact CG-CZ2 4.3Å; V274-W285 HydrophobicContact CG1-CD2 4.04Å; V274-W285 HydrophobicContact CG1-CE3 3.28Å; V274-W285 HydrophobicContact CG1-CH2 4.3Å; V274-W285 HydrophobicContact CG1-CZ3 3.44Å; V274-W285 VanDerWaalsContact CG1-CZ3 3.44Å; W285-E308 PolarHBondContact NE1-OE1 3.24Å; W285-L312 HydrophobicContact CH2-CD1 4.07Å; W285-L312 HydrophobicContact CH2-CD2 4.04Å; W285-L312 HydrophobicContact CZ2-CD1 3.68Å; W285-L312 HydrophobicContact CZ2-CD2 3.96Å; W285-L312 HydrophobicContact CZ2-CG 4.41Å
286	L	87.5	Confident	70.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.337	C	S	.	.	S	Bend	trans	-83	-37.5	-176.3	-71.2	166.2	0	0	0	112.7	P272 F273 N275 Y288 K621 I624 Q625	P272-L286 HydrophobicContact CB-CD1 3.65Å; P272-L286 HydrophobicContact CG-CD1 4.21Å; F273-L286 WeakPolarHBondContact O-CB 3.44Å; F273-L286 PolarHBondContact O-N 3.35Å; N275-L286 HydrophobicContact CB-CD2 3.87Å; N275-L286 HydrophobicContact CB-CG 4.3Å; L286-Y288 WeakPolarHBondContact O-CD1 3.34Å; L286-K621 HydrophobicContact CD1-CB 4.46Å; L286-K621 HydrophobicContact CD1-CG 4.01Å; L286-K621 HydrophobicContact CD2-CB 4.39Å; L286-I624 HydrophobicContact CB-CB 4.29Å; L286-I624 HydrophobicContact CB-CG2 3.67Å; L286-Q625 HydrophobicContact CD2-CG 3.62Å
287	L	83	Confident	69.4	Low	10 Å²	10	63.1 Å²	63.1	5%	0.052	34%	0.34	C	S	.	.			trans	-87.7	111.8	176.6	-168.4	77.6	0	0	0	110.1	W301 K304 F305 E308 I624	L287-W301 HydrophobicContact CD1-CE3 4.23Å; L287-W301 HydrophobicContact CD1-CH2 4.32Å; L287-W301 HydrophobicContact CD1-CZ3 3.51Å; L287-W301 HydrophobicContact CG-CE3 4.38Å; L287-W301 HydrophobicContact CG-CZ3 3.87Å; L287-K304 HydrophobicContact CD2-CB 4.44Å; L287-F305 HydrophobicContact CD2-CD2 3.93Å; L287-F305 HydrophobicContact CD2-CE2 4.03Å; L287-F305 HydrophobicContact CD2-CG 4.29Å; L287-F305 HydrophobicContact CD2-CZ 4.46Å; L287-F305 HydrophobicContact CG-CD2 4.34Å; L287-F305 HydrophobicContact CG-CE2 3.99Å; L287-F305 HydrophobicContact CG-CZ 4.42Å; L287-F305 VanDerWaalsContact O-CZ 3.31Å; L287-F305 WeakPolarHBondContact O-CZ 3.47Å; L287-E308 HydrophobicContact CD2-CB 4.02Å; L287-E308 HydrophobicContact CD2-CG 4.43Å; L287-I624 HydrophobicContact CB-CG2 4.14Å; L287-I624 HydrophobicContact CD1-CG2 4.23Å
288	Y	72.1	Confident	68.8	Low	60 Å²	60	63.6 Å²	63.6	24%	0.235	35%	0.346	C	S	.	.			trans	-146.8	144.2	174.9	63.6	-83	0	0	0	111.1	R200 L286 W301	R200-Y288 HydrophobicContact CB-CD1 4.22Å; R200-Y288 HydrophobicContact CB-CD2 3.81Å; R200-Y288 HydrophobicContact CB-CE2 4.26Å; R200-Y288 HydrophobicContact CB-CG 3.79Å; R200-Y288 HydrophobicContact CG-CD1 4.14Å; R200-Y288 HydrophobicContact CG-CE1 4.38Å; R200-Y288 HydrophobicContact CG-CG 4.23Å; R200-Y288 PolarHBondContact NH1-OH 3.4Å; L286-Y288 WeakPolarHBondContact O-CD1 3.34Å; Y288-W301 WeakPolarHBondContact O-CH2 3.35Å; Y288-W301 WeakPolarHBondContact O-CZ3 3.45Å
289	P	63.2	Low	69.2	Low	23 Å²	23	64.9 Å²	64.9	15%	0.149	35%	0.345	C	S	.	.			trans	-62.4	137.7	175	-18.2	31.4	0	0	0	110.9	G198 S291 F305	G198-P289 WeakPolarHBondContact O-CD 3.4Å; P289-S291 PolarHBondContact O-N 3.23Å; P289-F305 HydrophobicContact CG-CE2 4.05Å; P289-F305 HydrophobicContact CG-CZ 4.49Å
290	P	60.2	Low	69.8	Low	49 Å²	49	59 Å²	59	32%	0.318	33%	0.328	S	S	.	.			trans	-69.9	130.3	173.4	29.1	-34.1	0	0	0	110.2	G292 I293 W301	P290-G292 PolarHBondContact O-N 3.04Å; P290-G292 VanDerWaalsContact O-N 3.13Å; P290-I293 HydrophobicContact CB-CD1 3.92Å; P290-I293 HydrophobicContact CB-CG1 4.5Å; P290-I293 HydrophobicContact CG-CD1 3.98Å; P290-I293 HydrophobicContact CG-CG1 4.45Å; P290-W301 VanDerWaalsContact CD-CE2 3.47Å; P290-W301 HydrophobicContact CG-CZ2 4.44Å
291	S	54.5	Low	69.7	Low	107 Å²	107	56.8 Å²	56.8	75%	0.748	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	115.4	-177	-57.7	0	0	0	0	112.5	P289	P289-S291 PolarHBondContact O-N 3.23Å
292	G	53.6	Low	69.4	Low	85 Å²	85	53.1 Å²	53.1	88%	0.876	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.5	15.5	162.9	0	0	0	0	0	118.1	P290	P290-G292 PolarHBondContact O-N 3.04Å; P290-G292 VanDerWaalsContact O-N 3.13Å
293	I	50.7	Low	69	Low	93 Å²	93	56.3 Å²	56.3	48%	0.477	31%	0.314	S	S	.	.			trans	-112.4	115.7	-169.6	-49.4	-174.7	0	0	0	113.8	P290 V297	P290-I293 HydrophobicContact CB-CD1 3.92Å; P290-I293 HydrophobicContact CB-CG1 4.5Å; P290-I293 HydrophobicContact CG-CD1 3.98Å; P290-I293 HydrophobicContact CG-CG1 4.45Å; I293-V297 HydrophobicContact CG2-CG2 4.1Å
294	N	52.1	Low	68.5	Low	72 Å²	72	59.1 Å²	59.1	39%	0.385	33%	0.326	S	S	.	.			trans	40.9	123.8	153.4	-167.3	-13.9	0	0	0	119.9	K296 V297 D298	N294-K296 PolarHBondContact O-N 2.88Å; N294-K296 PolarHBondContact OD1-N 3.42Å; N294-K296 VanDerWaalsContact OD1-N 3.09Å; N294-V297 HydrophobicContact CB-CB 4.49Å; N294-V297 HydrophobicContact CB-CG2 4.13Å; N294-V297 WeakPolarHBondContact O-CA 3.43Å; N294-V297 VanDerWaalsContact O-CB 3.25Å; N294-V297 WeakPolarHBondContact O-CB 3.39Å; N294-V297 PolarHBondContact O-N 2.96Å; N294-D298 PolarHBondContact O-N 3.32Å
295	P	50.2	Low	68.1	Low	51 Å²	51	59.3 Å²	59.3	33%	0.331	33%	0.327	S	S	.	.	H	α-helix	trans	-62.5	-14.1	178.1	26.2	-36	0	0	0	116.7	V297	P295-V297 VanDerWaalsContact C-N 3.33Å
296	K	50.4	Low	67.8	Low	121 Å²	121	64.3 Å²	64.3	53%	0.526	35%	0.35	S	S	.	.	H	α-helix	trans	-67.5	-35.4	165.9	-79.7	-175.3	171.5	176.1	0	111.8	N294	N294-K296 PolarHBondContact O-N 2.88Å; N294-K296 PolarHBondContact OD1-N 3.42Å; N294-K296 VanDerWaalsContact OD1-N 3.09Å
297	V	57.5	Low	67.7	Low	34 Å²	34	67.5 Å²	67.5	21%	0.206	37%	0.367	C	S	.	.	H	α-helix	trans	-72.3	-37.3	-179.8	173.1	0	0	0	0	110.4	I293 N294 P295 Q299 E300 W301	I293-V297 HydrophobicContact CG2-CG2 4.1Å; N294-V297 HydrophobicContact CB-CB 4.49Å; N294-V297 HydrophobicContact CB-CG2 4.13Å; N294-V297 WeakPolarHBondContact O-CA 3.43Å; N294-V297 VanDerWaalsContact O-CB 3.25Å; N294-V297 WeakPolarHBondContact O-CB 3.39Å; N294-V297 PolarHBondContact O-N 2.96Å; P295-V297 VanDerWaalsContact C-N 3.33Å; V297-Q299 VanDerWaalsContact C-N 3.28Å; V297-Q299 PolarHBondContact O-N 2.9Å; V297-E300 PolarHBondContact O-N 3.38Å; V297-W301 VanDerWaalsContact O-CD1 3.25Å; V297-W301 PolarHBondContact O-N 3.23Å
298	D	65.2	Low	68	Low	72 Å²	72	67.1 Å²	67.1	39%	0.385	37%	0.365	S	S	.	.	H	α-helix	trans	-49.6	-46.4	173.3	-73.7	-33.3	0	0	0	112.4	N294 W301 I302	N294-D298 PolarHBondContact O-N 3.32Å; D298-W301 PolarHBondContact O-N 3.42Å; D298-I302 WeakPolarHBondContact O-CB 3.25Å; D298-I302 WeakPolarHBondContact O-CD1 3.5Å; D298-I302 VanDerWaalsContact O-CG1 3.23Å; D298-I302 WeakPolarHBondContact O-CG1 3.38Å; D298-I302 PolarHBondContact O-N 3.11Å
299	Q	72.4	Confident	68.7	Low	107 Å²	107	64.9 Å²	64.9	50%	0.5	36%	0.358	S	S	.	.	H	α-helix	trans	-67.2	-39.2	-177.5	-171.6	61.7	45.1	0	0	113	V297 Q303	V297-Q299 VanDerWaalsContact C-N 3.28Å; V297-Q299 PolarHBondContact O-N 2.9Å; Q299-Q303 WeakPolarHBondContact O-CG 3.5Å; Q299-Q303 PolarHBondContact O-N 2.88Å; Q299-Q303 VanDerWaalsContact O-N 3.13Å
300	E	75.6	Confident	70	Confident	106 Å²	106	71.4 Å²	71.4	50%	0.495	38%	0.379	S	S	.	.	H	α-helix	trans	-66.7	-40.2	174.8	-69.7	-175.9	-163.6	0	0	111.8	V297 Q303 K304	V297-E300 PolarHBondContact O-N 3.38Å; E300-Q303 PolarHBondContact O-N 2.83Å; E300-K304 VanDerWaalsContact O-CG 3.32Å; E300-K304 WeakPolarHBondContact O-CG 3.46Å; E300-K304 PolarHBondContact O-N 3.2Å
301	W	73	Confident	71.4	Confident	24 Å²	24	72 Å²	72	9%	0.091	38%	0.378	C	S	.	.	H	α-helix	trans	-69.5	-38.4	176.6	-78.4	96.2	0	0	0	112.2	L287 Y288 P290 V297 D298 Q303 K304 F305	L287-W301 HydrophobicContact CD1-CE3 4.23Å; L287-W301 HydrophobicContact CD1-CH2 4.32Å; L287-W301 HydrophobicContact CD1-CZ3 3.51Å; L287-W301 HydrophobicContact CG-CE3 4.38Å; L287-W301 HydrophobicContact CG-CZ3 3.87Å; Y288-W301 WeakPolarHBondContact O-CH2 3.35Å; Y288-W301 WeakPolarHBondContact O-CZ3 3.45Å; P290-W301 VanDerWaalsContact CD-CE2 3.47Å; P290-W301 HydrophobicContact CG-CZ2 4.44Å; V297-W301 VanDerWaalsContact O-CD1 3.25Å; V297-W301 PolarHBondContact O-N 3.23Å; D298-W301 PolarHBondContact O-N 3.42Å; W301-Q303 VanDerWaalsContact C-N 3.32Å; W301-Q303 PolarHBondContact O-N 3.21Å; W301-K304 HydrophobicContact CD2-CD 4.45Å; W301-K304 HydrophobicContact CE3-CD 4.36Å; W301-K304 PolarHBondContact O-N 3.48Å; W301-F305 HydrophobicContact CE3-CD2 4.21Å; W301-F305 AromaticContact CE3-CE2 3.94Å; W301-F305 HydrophobicContact CE3-CE2 3.94Å; W301-F305 HydrophobicContact CZ3-CE2 4.46Å; W301-F305 WeakPolarHBondContact O-CB 3.44Å; W301-F305 WeakPolarHBondContact O-CD2 3.38Å; W301-F305 PolarHBondContact O-N 2.85Å
302	I	75.6	Confident	73.2	Confident	53 Å²	53	67 Å²	67	27%	0.272	34%	0.342	S	S	.	.	H	α-helix	trans	-55.7	-49	171.5	-72	162.9	0	0	0	109.9	D298 K304 F305 E306	D298-I302 WeakPolarHBondContact O-CB 3.25Å; D298-I302 WeakPolarHBondContact O-CD1 3.5Å; D298-I302 VanDerWaalsContact O-CG1 3.23Å; D298-I302 WeakPolarHBondContact O-CG1 3.38Å; D298-I302 PolarHBondContact O-N 3.11Å; I302-K304 PolarHBondContact O-N 3.04Å; I302-F305 PolarHBondContact O-N 2.63Å; I302-E306 HydrophobicContact CG2-CG 4.35Å; I302-E306 WeakPolarHBondContact O-CB 3.39Å; I302-E306 WeakPolarHBondContact O-CG 3.1Å; I302-E306 PolarHBondContact O-N 3.41Å
303	Q	81	Confident	75	Confident	111 Å²	111	65 Å²	65	52%	0.519	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-41.5	177.6	-72.1	178.1	-2.2	0	0	113.2	Q299 E300 W301 E306 L307	Q299-Q303 WeakPolarHBondContact O-CG 3.5Å; Q299-Q303 PolarHBondContact O-N 2.88Å; Q299-Q303 VanDerWaalsContact O-N 3.13Å; E300-Q303 PolarHBondContact O-N 2.83Å; W301-Q303 VanDerWaalsContact C-N 3.32Å; W301-Q303 PolarHBondContact O-N 3.21Å; Q303-E306 PolarHBondContact O-N 3.3Å; Q303-L307 WeakPolarHBondContact O-CB 3.2Å; Q303-L307 PolarHBondContact O-N 2.99Å
304	K	80.8	Confident	76.9	Confident	61 Å²	61	63.9 Å²	63.9	27%	0.265	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-43.4	174.1	-70.4	170.4	-170.9	179.1	0	111.5	L287 E300 W301 I302 L307 E308 G627	L287-K304 HydrophobicContact CD2-CB 4.44Å; E300-K304 VanDerWaalsContact O-CG 3.32Å; E300-K304 WeakPolarHBondContact O-CG 3.46Å; E300-K304 PolarHBondContact O-N 3.2Å; W301-K304 HydrophobicContact CD2-CD 4.45Å; W301-K304 HydrophobicContact CE3-CD 4.36Å; W301-K304 PolarHBondContact O-N 3.48Å; I302-K304 PolarHBondContact O-N 3.04Å; K304-L307 PolarHBondContact O-N 3.39Å; K304-E308 WeakPolarHBondContact O-CB 3.43Å; K304-E308 PolarHBondContact O-N 3.17Å; K304-G627 PolarHBondContact NZ-O 3.25Å
305	F	81.3	Confident	78.8	Confident	5 Å²	5	61 Å²	61	2%	0.022	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-39.6	177.5	-95.5	-97.9	0	0	0	112.5	W179 R191 L287 P289 W301 I302 T309	W179-F305 HydrophobicContact CE3-CD1 4.05Å; W179-F305 HydrophobicContact CE3-CG 4.47Å; W179-F305 HydrophobicContact CZ3-CB 4.05Å; W179-F305 AromaticContact CZ3-CD1 3.76Å; W179-F305 HydrophobicContact CZ3-CD1 3.76Å; W179-F305 HydrophobicContact CZ3-CD2 4.28Å; W179-F305 HydrophobicContact CZ3-CE1 4.3Å; W179-F305 AromaticContact CZ3-CG 3.77Å; W179-F305 HydrophobicContact CZ3-CG 3.77Å; R191-F305 PolarHBondContact NH1-O 2.65Å; L287-F305 HydrophobicContact CD2-CD2 3.93Å; L287-F305 HydrophobicContact CD2-CE2 4.03Å; L287-F305 HydrophobicContact CD2-CG 4.29Å; L287-F305 HydrophobicContact CD2-CZ 4.46Å; L287-F305 HydrophobicContact CG-CD2 4.34Å; L287-F305 HydrophobicContact CG-CE2 3.99Å; L287-F305 HydrophobicContact CG-CZ 4.42Å; L287-F305 VanDerWaalsContact O-CZ 3.31Å; L287-F305 WeakPolarHBondContact O-CZ 3.47Å; P289-F305 HydrophobicContact CG-CE2 4.05Å; P289-F305 HydrophobicContact CG-CZ 4.49Å; W301-F305 HydrophobicContact CE3-CD2 4.21Å; W301-F305 AromaticContact CE3-CE2 3.94Å; W301-F305 HydrophobicContact CE3-CE2 3.94Å; W301-F305 HydrophobicContact CZ3-CE2 4.46Å; W301-F305 WeakPolarHBondContact O-CB 3.44Å; W301-F305 WeakPolarHBondContact O-CD2 3.38Å; W301-F305 PolarHBondContact O-N 2.85Å; I302-F305 PolarHBondContact O-N 2.63Å; F305-T309 WeakPolarHBondContact O-CB 3.43Å; F305-T309 PolarHBondContact O-N 3.38Å; F305-T309 PolarHBondContact O-OG1 3.13Å
306	E	83.5	Confident	80.9	Confident	107 Å²	107	58.9 Å²	58.9	50%	0.5	28%	0.284	S	S	.	.	H	α-helix	trans	-68.3	-37.2	174.6	-75.8	179.9	169.3	0	0	112.9	I302 Q303 T309 R310	I302-E306 HydrophobicContact CG2-CG 4.35Å; I302-E306 WeakPolarHBondContact O-CB 3.39Å; I302-E306 WeakPolarHBondContact O-CG 3.1Å; I302-E306 PolarHBondContact O-N 3.41Å; Q303-E306 PolarHBondContact O-N 3.3Å; E306-T309 PolarHBondContact O-N 3.29Å; E306-R310 PolarHBondContact O-N 3.3Å; E306-R310 PolarHBondContact O-NE 3.07Å
307	L	86.1	Confident	82.8	Confident	67 Å²	67	55.7 Å²	55.7	35%	0.351	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-52	171.6	-178.3	64.5	0	0	0	110.5	Q303 K304 T309 R310 E311	Q303-L307 WeakPolarHBondContact O-CB 3.2Å; Q303-L307 PolarHBondContact O-N 2.99Å; K304-L307 PolarHBondContact O-N 3.39Å; L307-T309 VanDerWaalsContact C-N 3.25Å; L307-T309 PolarHBondContact O-N 2.96Å; L307-R310 WeakPolarHBondContact O-CB 3.18Å; L307-R310 PolarHBondContact O-N 3.3Å; L307-E311 PolarHBondContact O-N 3.17Å
308	E	88.3	Confident	84.4	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-36.3	175.5	177.2	170.6	92.1	0	0	112.1	R191 R271 F273 W285 L287 K304 R310 E311 L312	R191-E308 WeakPolarHBondContact CD-OE1 3.25Å; R191-E308 IonicContact CZ-OE1 2.75Å; R191-E308 IonicContact NE-OE1 3.7Å; R191-E308 IonicContact NH1-OE1 3.39Å; R191-E308 PolarHBondContact NH1-OE1 3.47Å; R271-E308 IonicContact CZ-OE2 2.73Å; R271-E308 IonicContact NH1-OE2 2.63Å; R271-E308 PolarHBondContact NH1-OE2 2.79Å; R271-E308 VanDerWaalsContact NH1-OE2 3.12Å; R271-E308 VanDerWaalsContact NH2-CG 3.35Å; R271-E308 IonicContact NH2-OE2 3.71Å; R271-E308 PolarHBondContact NH2-OE2 3.42Å; F273-E308 HydrophobicContact CD1-CG 4.04Å; F273-E308 HydrophobicContact CE1-CG 4Å; W285-E308 PolarHBondContact NE1-OE1 3.24Å; L287-E308 HydrophobicContact CD2-CB 4.02Å; L287-E308 HydrophobicContact CD2-CG 4.43Å; K304-E308 WeakPolarHBondContact O-CB 3.43Å; K304-E308 PolarHBondContact O-N 3.17Å; E308-R310 VanDerWaalsContact C-N 3.28Å; E308-R310 PolarHBondContact O-N 3.16Å; E308-E311 PolarHBondContact O-N 3.05Å; E308-L312 HydrophobicContact CG-CD1 3.91Å; E308-L312 HydrophobicContact CG-CG 4.03Å; E308-L312 WeakPolarHBondContact O-CB 3.49Å; E308-L312 VanDerWaalsContact O-CG 3.25Å; E308-L312 WeakPolarHBondContact O-CG 3.16Å; E308-L312 PolarHBondContact O-N 3.24Å
309	T	88.3	Confident	85.6	Confident	14 Å²	14	53.9 Å²	53.9	9%	0.086	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-41.4	175.9	-53.1	0	0	0	0	111.2	P180 N184 R191 F305 E306 L307 L312 T313	P180-T309 HydrophobicContact CB-CG2 4Å; P180-T309 HydrophobicContact CG-CG2 3.86Å; N184-T309 HydrophobicContact CB-CG2 4.2Å; N184-T309 WeakPolarHBondContact ND2-CG2 3.17Å; R191-T309 PolarHBondContact NH2-OG1 3.3Å; F305-T309 WeakPolarHBondContact O-CB 3.43Å; F305-T309 PolarHBondContact O-N 3.38Å; F305-T309 PolarHBondContact O-OG1 3.13Å; E306-T309 PolarHBondContact O-N 3.29Å; L307-T309 VanDerWaalsContact C-N 3.25Å; L307-T309 PolarHBondContact O-N 2.96Å; T309-L312 PolarHBondContact O-N 3.36Å; T309-T313 WeakPolarHBondContact O-CB 3.48Å; T309-T313 PolarHBondContact O-N 3.37Å; T309-T313 PolarHBondContact O-OG1 2.89Å
310	R	89.5	Confident	86.5	Confident	160 Å²	160	50.6 Å²	50.6	60%	0.604	25%	0.251	S	S	*	.	H	α-helix	trans	-68.6	-40.1	177.1	-70.9	174.1	-74.9	153.2	-8.7	112.1	E306 L307 E308 S314	E306-R310 PolarHBondContact O-N 3.3Å; E306-R310 PolarHBondContact O-NE 3.07Å; L307-R310 WeakPolarHBondContact O-CB 3.18Å; L307-R310 PolarHBondContact O-N 3.3Å; E308-R310 VanDerWaalsContact C-N 3.28Å; E308-R310 PolarHBondContact O-N 3.16Å; R310-S314 PolarHBondContact O-N 3.36Å; R310-S314 VanDerWaalsContact O-N 3.12Å
311	E	90.5	Very high	87.1	Confident	62 Å²	62	54.9 Å²	54.9	29%	0.29	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-50.6	172.8	-66.9	175.4	172.6	0	0	111.1	R271 F273 L307 E308 T313 S314 L315	R271-E311 IonicContact CZ-OE2 3.71Å; R271-E311 IonicContact NE-OE2 3.7Å; R271-E311 PolarHBondContact NE-OE2 2.69Å; R271-E311 IonicContact NH2-OE2 2.81Å; R271-E311 PolarHBondContact NH2-OE2 3.49Å; F273-E311 HydrophobicContact CE1-CB 4.41Å; F273-E311 HydrophobicContact CZ-CB 4.39Å; L307-E311 PolarHBondContact O-N 3.17Å; E308-E311 PolarHBondContact O-N 3.05Å; E311-T313 PolarHBondContact O-N 2.8Å; E311-S314 PolarHBondContact O-N 2.93Å; E311-L315 WeakPolarHBondContact O-CB 3.22Å; E311-L315 PolarHBondContact O-N 2.85Å
312	L	91.9	Very high	87.7	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-41.5	179.1	-69.2	175	0	0	0	112.8	F187 L250 F273 W285 E308 T309 L315 F316	F187-L312 HydrophobicContact CB-CB 4.38Å; F187-L312 HydrophobicContact CB-CD2 4.03Å; L250-L312 HydrophobicContact CD2-CD2 3.97Å; F273-L312 HydrophobicContact CD1-CD2 3.53Å; F273-L312 HydrophobicContact CD1-CG 4.2Å; F273-L312 HydrophobicContact CD2-CD2 4.49Å; F273-L312 HydrophobicContact CE1-CD2 3.59Å; F273-L312 HydrophobicContact CE1-CG 4.05Å; F273-L312 HydrophobicContact CG-CD2 4.01Å; F273-L312 HydrophobicContact CZ-CD2 4.15Å; W285-L312 HydrophobicContact CH2-CD1 4.07Å; W285-L312 HydrophobicContact CH2-CD2 4.04Å; W285-L312 HydrophobicContact CZ2-CD1 3.68Å; W285-L312 HydrophobicContact CZ2-CD2 3.96Å; W285-L312 HydrophobicContact CZ2-CG 4.41Å; E308-L312 HydrophobicContact CG-CD1 3.91Å; E308-L312 HydrophobicContact CG-CG 4.03Å; E308-L312 WeakPolarHBondContact O-CB 3.49Å; E308-L312 VanDerWaalsContact O-CG 3.25Å; E308-L312 WeakPolarHBondContact O-CG 3.16Å; E308-L312 PolarHBondContact O-N 3.24Å; T309-L312 PolarHBondContact O-N 3.36Å; L312-L315 PolarHBondContact O-N 3.49Å; L312-F316 WeakPolarHBondContact O-CB 3.38Å; L312-F316 PolarHBondContact O-N 3.2Å
313	T	91.2	Very high	88.1	Confident	45 Å²	45	55.7 Å²	55.7	28%	0.276	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-41.1	177.5	-61.1	0	0	0	0	111.7	N184 T309 E311 S317	N184-T313 PolarHBondContact O-OG1 2.81Å; T309-T313 WeakPolarHBondContact O-CB 3.48Å; T309-T313 PolarHBondContact O-N 3.37Å; T309-T313 PolarHBondContact O-OG1 2.89Å; E311-T313 PolarHBondContact O-N 2.8Å; T313-S317 WeakPolarHBondContact O-CB 3.34Å; T313-S317 PolarHBondContact O-N 2.95Å; T313-S317 VanDerWaalsContact O-N 3.12Å; T313-S317 PolarHBondContact O-OG 3.02Å
314	S	91	Very high	88.2	Confident	68 Å²	68	58.5 Å²	58.5	48%	0.476	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-51.7	175.1	-164.8	0	0	0	0	110.8	R310 E311 F316 S317 D318	R310-S314 PolarHBondContact O-N 3.36Å; R310-S314 VanDerWaalsContact O-N 3.12Å; E311-S314 PolarHBondContact O-N 2.93Å; S314-F316 VanDerWaalsContact C-N 3.3Å; S314-F316 PolarHBondContact O-N 3.23Å; S314-S317 WeakPolarHBondContact O-CA 3.41Å; S314-S317 WeakPolarHBondContact O-CB 3.36Å; S314-S317 PolarHBondContact O-N 2.86Å; S314-D318 PolarHBondContact O-N 3.44Å
315	L	91.9	Very high	87.9	Confident	13 Å²	13	56.5 Å²	56.5	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-37.9	-177.6	-173.2	68.1	0	0	0	112.3	F187 F249 L250 F273 E311 L312 D318 W319	F187-L315 HydrophobicContact CE2-CD2 4.39Å; F187-L315 HydrophobicContact CE2-CG 4.12Å; F249-L315 HydrophobicContact CE1-CD1 3.92Å; F249-L315 HydrophobicContact CE1-CD2 4Å; F249-L315 HydrophobicContact CE1-CG 3.82Å; F249-L315 HydrophobicContact CZ-CD1 3.88Å; F249-L315 HydrophobicContact CZ-CG 4.31Å; L250-L315 HydrophobicContact CD2-CD2 4.18Å; F273-L315 HydrophobicContact CD2-CD2 4.44Å; F273-L315 HydrophobicContact CE2-CD2 3.68Å; F273-L315 HydrophobicContact CZ-CD2 4.12Å; E311-L315 WeakPolarHBondContact O-CB 3.22Å; E311-L315 PolarHBondContact O-N 2.85Å; L312-L315 PolarHBondContact O-N 3.49Å; L315-D318 PolarHBondContact O-N 2.89Å; L315-W319 WeakPolarHBondContact O-CB 3.44Å; L315-W319 PolarHBondContact O-N 3.08Å
316	F	93.3	Very high	87.9	Confident	6 Å²	6	57.9 Å²	57.9	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-41	171.4	175.5	-112.7	0	0	0	111.9	F186 F187 W232 W239 L312 S314 D318 W319 L320	F186-F316 HydrophobicContact CB-CD2 3.86Å; F186-F316 HydrophobicContact CB-CE2 3.34Å; F186-F316 HydrophobicContact CB-CZ 3.8Å; F187-F316 HydrophobicContact CD1-CD2 4.13Å; F187-F316 HydrophobicContact CD2-CB 3.62Å; F187-F316 HydrophobicContact CD2-CD2 4.38Å; F187-F316 HydrophobicContact CD2-CG 4.48Å; F187-F316 HydrophobicContact CE1-CD2 4.13Å; F187-F316 VanDerWaalsContact CE2-CA 3.49Å; F187-F316 HydrophobicContact CE2-CB 3.95Å; F187-F316 HydrophobicContact CE2-CD2 4.4Å; F187-F316 HydrophobicContact CG-CB 4.05Å; F187-F316 HydrophobicContact CG-CD2 4.25Å; F187-F316 HydrophobicContact CZ-CD2 4.28Å; W232-F316 HydrophobicContact CB-CE1 3.85Å; W232-F316 HydrophobicContact CB-CZ 3.99Å; W232-F316 AromaticContact CD2-CE1 3.81Å; W232-F316 HydrophobicContact CD2-CE1 3.81Å; W232-F316 AromaticContact CD2-CZ 3.71Å; W232-F316 HydrophobicContact CD2-CZ 3.71Å; W232-F316 HydrophobicContact CE3-CE1 4.18Å; W232-F316 AromaticContact CE3-CZ 3.58Å; W232-F316 HydrophobicContact CE3-CZ 3.58Å; W232-F316 AromaticContact CG-CE1 3.68Å; W232-F316 HydrophobicContact CG-CE1 3.68Å; W232-F316 AromaticContact CG-CZ 3.93Å; W232-F316 HydrophobicContact CG-CZ 3.93Å; W232-F316 HydrophobicContact CZ3-CZ 4.26Å; W239-F316 HydrophobicContact CH2-CE2 4.27Å; W239-F316 HydrophobicContact CH2-CZ 4.21Å; W239-F316 HydrophobicContact CZ3-CE2 4.28Å; L312-F316 WeakPolarHBondContact O-CB 3.38Å; L312-F316 PolarHBondContact O-N 3.2Å; S314-F316 VanDerWaalsContact C-N 3.3Å; S314-F316 PolarHBondContact O-N 3.23Å; F316-D318 VanDerWaalsContact C-N 3.3Å; F316-D318 PolarHBondContact O-N 2.85Å; F316-W319 HydrophobicContact CD2-CE3 4.27Å; F316-W319 HydrophobicContact CE2-CE3 4.26Å; F316-W319 HydrophobicContact CE2-CZ3 4.44Å; F316-W319 PolarHBondContact O-N 3.05Å; F316-L320 HydrophobicContact CE1-CD2 4.16Å; F316-L320 HydrophobicContact CE2-CD1 4.32Å; F316-L320 HydrophobicContact CZ-CD1 3.96Å; F316-L320 HydrophobicContact CZ-CD2 4.26Å; F316-L320 HydrophobicContact CZ-CG 4.49Å; F316-L320 WeakPolarHBondContact O-CB 3.43Å; F316-L320 PolarHBondContact O-N 2.92Å
317	S	90.8	Very high	87.6	Confident	53 Å²	53	54.3 Å²	54.3	37%	0.371	28%	0.278	S	S	.	.	H	α-helix	trans	-64.3	-36	178.1	-59.3	0	0	0	0	112.4	T313 S314 R321	T313-S317 WeakPolarHBondContact O-CB 3.34Å; T313-S317 PolarHBondContact O-N 2.95Å; T313-S317 VanDerWaalsContact O-N 3.12Å; T313-S317 PolarHBondContact O-OG 3.02Å; S314-S317 WeakPolarHBondContact O-CA 3.41Å; S314-S317 WeakPolarHBondContact O-CB 3.36Å; S314-S317 PolarHBondContact O-N 2.86Å; S317-R321 WeakPolarHBondContact O-CB 3.38Å; S317-R321 PolarHBondContact O-N 3.46Å
318	D	90.3	Very high	87.6	Confident	65 Å²	65	51.1 Å²	51.1	35%	0.348	26%	0.261	S	S	.	.	H	α-helix	trans	-73.5	-43	175.2	-65.4	-42.1	0	0	0	111.5	L267 S314 L315 F316 L320 R321 A322	L267-D318 HydrophobicContact CD1-CB 4.07Å; S314-D318 PolarHBondContact O-N 3.44Å; L315-D318 PolarHBondContact O-N 2.89Å; F316-D318 VanDerWaalsContact C-N 3.3Å; F316-D318 PolarHBondContact O-N 2.85Å; D318-L320 PolarHBondContact O-N 2.82Å; D318-R321 PolarHBondContact O-N 3.38Å; D318-A322 VanDerWaalsContact O-CB 3.31Å; D318-A322 WeakPolarHBondContact O-CB 3.17Å; D318-A322 PolarHBondContact O-N 3.28Å
319	W	92	Very high	87.7	Confident	3 Å²	3	51.6 Å²	51.6	1%	0.011	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-38.2	174.2	-173.1	81.9	0	0	0	113.2	F187 W239 A246 F249 L267 L315 F316 R321 G327 G328 L329 A332	F187-W319 HydrophobicContact CE1-CD2 4.18Å; F187-W319 AromaticContact CE1-CE3 3.98Å; F187-W319 HydrophobicContact CE1-CE3 3.98Å; F187-W319 HydrophobicContact CE1-CZ3 4.36Å; F187-W319 HydrophobicContact CE2-CB 4.16Å; F187-W319 HydrophobicContact CZ-CB 3.82Å; F187-W319 AromaticContact CZ-CD2 3.74Å; F187-W319 HydrophobicContact CZ-CD2 3.74Å; F187-W319 AromaticContact CZ-CE3 3.89Å; F187-W319 HydrophobicContact CZ-CE3 3.89Å; F187-W319 AromaticContact CZ-CG 3.72Å; F187-W319 HydrophobicContact CZ-CG 3.72Å; W239-W319 HydrophobicContact CZ3-CZ3 4.32Å; A246-W319 HydrophobicContact CB-CH2 4.3Å; A246-W319 HydrophobicContact CB-CZ2 4.49Å; F249-W319 AromaticContact CD1-CD1 3.91Å; F249-W319 HydrophobicContact CD1-CG 4.45Å; F249-W319 HydrophobicContact CE1-CB 4.39Å; F249-W319 HydrophobicContact CE1-CG 4.42Å; L267-W319 VanDerWaalsContact CD2-CA 3.42Å; L267-W319 HydrophobicContact CD2-CB 3.79Å; L267-W319 HydrophobicContact CD2-CG 4.3Å; L315-W319 WeakPolarHBondContact O-CB 3.44Å; L315-W319 PolarHBondContact O-N 3.08Å; F316-W319 HydrophobicContact CD2-CE3 4.27Å; F316-W319 HydrophobicContact CE2-CE3 4.26Å; F316-W319 HydrophobicContact CE2-CZ3 4.44Å; F316-W319 PolarHBondContact O-N 3.05Å; W319-R321 VanDerWaalsContact C-N 3.31Å; W319-R321 PolarHBondContact O-N 3.18Å; W319-G327 PolarHBondContact NE1-O 3.47Å; W319-G328 WeakPolarHBondContact O-CA 3.34Å; W319-L329 HydrophobicContact CD2-CB 4.27Å; W319-L329 HydrophobicContact CE3-CB 3.89Å; W319-L329 HydrophobicContact CH2-CB 3.94Å; W319-L329 HydrophobicContact CH2-CD1 3.55Å; W319-L329 HydrophobicContact CH2-CG 4.34Å; W319-L329 HydrophobicContact CZ2-CB 4.29Å; W319-L329 HydrophobicContact CZ2-CD1 4.41Å; W319-L329 HydrophobicContact CZ3-CB 3.72Å; W319-L329 HydrophobicContact CZ3-CD1 3.72Å; W319-L329 HydrophobicContact CZ3-CG 4.21Å; W319-L329 PolarHBondContact O-N 2.79Å; W319-A332 HydrophobicContact CZ2-CB 4.16Å
320	L	90.4	Very high	87.6	Confident	38 Å²	38	53.3 Å²	53.3	20%	0.199	27%	0.274	C	S	.	.	H	α-helix	trans	-67.3	-29.4	176.5	-172.2	73.4	0	0	0	112.7	W232 R235 W239 F316 D318 L329	W232-L320 HydrophobicContact CB-CD1 4.45Å; W232-L320 HydrophobicContact CB-CD2 3.69Å; R235-L320 HydrophobicContact CB-CD1 4.4Å; R235-L320 HydrophobicContact CG-CD1 4.28Å; W239-L320 HydrophobicContact CH2-CD1 4.24Å; F316-L320 HydrophobicContact CE1-CD2 4.16Å; F316-L320 HydrophobicContact CE2-CD1 4.32Å; F316-L320 HydrophobicContact CZ-CD1 3.96Å; F316-L320 HydrophobicContact CZ-CD2 4.26Å; F316-L320 HydrophobicContact CZ-CG 4.49Å; F316-L320 WeakPolarHBondContact O-CB 3.43Å; F316-L320 PolarHBondContact O-N 2.92Å; D318-L320 PolarHBondContact O-N 2.82Å; L320-L329 HydrophobicContact CD1-CD2 3.62Å
321	R	88.7	Confident	87.4	Confident	196 Å²	196	47.1 Å²	47.1	74%	0.74	25%	0.252	S	S	*	.	H	α-helix	trans	-104.5	-11.5	-175.6	-172.2	163.2	58.7	169.3	-1.8	114	S317 D318 W319 P323	S317-R321 WeakPolarHBondContact O-CB 3.38Å; S317-R321 PolarHBondContact O-N 3.46Å; D318-R321 PolarHBondContact O-N 3.38Å; W319-R321 VanDerWaalsContact C-N 3.31Å; W319-R321 PolarHBondContact O-N 3.18Å; R321-P323 VanDerWaalsContact O-CD 3.31Å; R321-P323 WeakPolarHBondContact O-CD 3.47Å
322	A	86.3	Confident	87.2	Confident	10 Å²	10	44.4 Å²	44.4	8%	0.083	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-57.9	122.9	-177.5	0	0	0	0	0	112.3	L267 D318 T330	L267-A322 HydrophobicContact CD2-CB 4.28Å; D318-A322 VanDerWaalsContact O-CB 3.31Å; D318-A322 WeakPolarHBondContact O-CB 3.17Å; D318-A322 PolarHBondContact O-N 3.28Å; A322-T330 PolarHBondContact O-OG1 3.49Å
323	P	83	Confident	87	Confident	85 Å²	85	46.9 Å²	46.9	55%	0.552	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-55.2	161.5	173.1	-29.3	34.7	0	0	0	114.6	R321 L326	R321-P323 VanDerWaalsContact O-CD 3.31Å; R321-P323 WeakPolarHBondContact O-CD 3.47Å; P323-L326 HydrophobicContact CB-CD1 4.09Å; P323-L326 HydrophobicContact CG-CD1 4.23Å; P323-L326 WeakPolarHBondContact O-CB 3.29Å; P323-L326 PolarHBondContact O-N 3.04Å
324	R	82.1	Confident	86.6	Confident	170 Å²	170	47 Å²	47	64%	0.642	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	139.7	176.7	-70.3	-179.1	173.8	-166.2	-5.1	112.4	T330 D331 L334	R324-T330 HydrophobicContact CG-CG2 3.48Å; R324-T330 VanDerWaalsContact CG-CG2 3.48Å; R324-D331 VanDerWaalsContact CA-OD1 3.24Å; R324-D331 WeakPolarHBondContact CA-OD1 3.23Å; R324-L334 HydrophobicContact CG-CD1 4.06Å
325	G	74.5	Confident	86	Confident	18 Å²	18	46.7 Å²	46.7	19%	0.186	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	81	10.7	-178.5	0	0	0	0	0	114.7	D331	G325-D331 VanDerWaalsContact N-CG 3.27Å; G325-D331 PolarHBondContact N-OD1 2.83Å; G325-D331 PolarHBondContact N-OD2 3.37Å
326	L	82.3	Confident	85.5	Confident	34 Å²	34	47.8 Å²	47.8	18%	0.178	26%	0.258	C	S	.	.	S	Bend	trans	-115.1	1.3	-178.8	-55.4	-176.1	0	0	0	113.9	R265 L267 P323 D331	R265-L326 HydrophobicContact CB-CD2 4.48Å; L267-L326 WeakPolarHBondContact CB-O 3.22Å; L267-L326 PolarHBondContact N-O 2.78Å; P323-L326 HydrophobicContact CB-CD1 4.09Å; P323-L326 HydrophobicContact CG-CD1 4.23Å; P323-L326 WeakPolarHBondContact O-CB 3.29Å; P323-L326 PolarHBondContact O-N 3.04Å; L326-D331 PolarHBondContact N-OD2 3.12Å
327	G	77.4	Confident	84.8	Confident	33 Å²	33	49.8 Å²	49.8	34%	0.34	27%	0.273	S	S	.	.	S	Bend	trans	89.1	18.6	176.6	0	0	0	0	0	114.8	W319 D331	W319-G327 PolarHBondContact NE1-O 3.47Å; G327-D331 PolarHBondContact N-OD2 3.16Å
328	G	86.6	Confident	83.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-81.8	-177.2	179.1	0	0	0	0	0	114.4	W319 T330 D331 A332	W319-G328 WeakPolarHBondContact O-CA 3.34Å; G328-T330 PolarHBondContact O-N 3.01Å; G328-D331 PolarHBondContact N-OD2 3.26Å; G328-D331 PolarHBondContact O-N 2.8Å; G328-A332 PolarHBondContact O-N 3.05Å
329	L	88.8	Confident	82	Confident	11 Å²	11	51.9 Å²	51.9	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-50.6	-39.8	169.2	174.1	63.5	0	0	0	111.6	R235 V236 W239 V242 W319 L320 D331 A332 V333	R235-L329 HydrophobicContact CB-CD2 4.31Å; V236-L329 HydrophobicContact CG2-CD1 3.68Å; V236-L329 HydrophobicContact CG2-CD2 3.68Å; V236-L329 HydrophobicContact CG2-CG 4.22Å; W239-L329 HydrophobicContact CH2-CD2 4.15Å; V242-L329 HydrophobicContact CB-CD1 4.27Å; V242-L329 HydrophobicContact CG1-CD1 3.9Å; V242-L329 HydrophobicContact CG2-CD1 4.31Å; W319-L329 HydrophobicContact CD2-CB 4.27Å; W319-L329 HydrophobicContact CE3-CB 3.89Å; W319-L329 HydrophobicContact CH2-CB 3.94Å; W319-L329 HydrophobicContact CH2-CD1 3.55Å; W319-L329 HydrophobicContact CH2-CG 4.34Å; W319-L329 HydrophobicContact CZ2-CB 4.29Å; W319-L329 HydrophobicContact CZ2-CD1 4.41Å; W319-L329 HydrophobicContact CZ3-CB 3.72Å; W319-L329 HydrophobicContact CZ3-CD1 3.72Å; W319-L329 HydrophobicContact CZ3-CG 4.21Å; W319-L329 PolarHBondContact O-N 2.79Å; L320-L329 HydrophobicContact CD1-CD2 3.62Å; L329-D331 PolarHBondContact O-N 2.95Å; L329-A332 PolarHBondContact O-N 3.39Å; L329-V333 HydrophobicContact CD1-CG2 3.75Å; L329-V333 HydrophobicContact CG-CG2 4.11Å; L329-V333 WeakPolarHBondContact O-CG2 3.16Å; L329-V333 PolarHBondContact O-N 3.4Å
330	T	86.9	Confident	80.2	Confident	49 Å²	49	57.3 Å²	57.3	30%	0.301	31%	0.314	S	S	.	.	H	α-helix	trans	-58	-33.6	-179	-34.3	0	0	0	0	112.7	A322 R324 G328 L334	A322-T330 PolarHBondContact O-OG1 3.49Å; R324-T330 HydrophobicContact CG-CG2 3.48Å; R324-T330 VanDerWaalsContact CG-CG2 3.48Å; G328-T330 PolarHBondContact O-N 3.01Å; T330-L334 WeakPolarHBondContact O-CG 3.32Å; T330-L334 PolarHBondContact O-N 2.86Å
331	D	84.9	Confident	78	Confident	30 Å²	30	61.5 Å²	61.5	16%	0.16	34%	0.336	C	S	.	.	H	α-helix	trans	-84.4	-32.4	179.8	-61.5	-39.4	0	0	0	111.8	R324 G325 L326 G327 G328 L329 L334 S335	R324-D331 VanDerWaalsContact CA-OD1 3.24Å; R324-D331 WeakPolarHBondContact CA-OD1 3.23Å; G325-D331 VanDerWaalsContact N-CG 3.27Å; G325-D331 PolarHBondContact N-OD1 2.83Å; G325-D331 PolarHBondContact N-OD2 3.37Å; L326-D331 PolarHBondContact N-OD2 3.12Å; G327-D331 PolarHBondContact N-OD2 3.16Å; G328-D331 PolarHBondContact N-OD2 3.26Å; G328-D331 PolarHBondContact O-N 2.8Å; L329-D331 PolarHBondContact O-N 2.95Å; D331-L334 PolarHBondContact O-N 3.25Å; D331-S335 WeakPolarHBondContact O-CB 3.49Å; D331-S335 PolarHBondContact O-N 2.91Å; D331-S335 PolarHBondContact O-OG 2.94Å
332	A	86.6	Confident	75.9	Confident	5 Å²	5	56.2 Å²	56.2	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-47.1	170.2	0	0	0	0	0	111.6	V242 H245 W319 G328 L329 L334 S335 I336	V242-A332 HydrophobicContact CG1-CB 4.29Å; H245-A332 HydrophobicContact CB-CB 3.6Å; W319-A332 HydrophobicContact CZ2-CB 4.16Å; G328-A332 PolarHBondContact O-N 3.05Å; L329-A332 PolarHBondContact O-N 3.39Å; A332-L334 VanDerWaalsContact C-N 3.33Å; A332-L334 PolarHBondContact O-N 3.48Å; A332-S335 WeakPolarHBondContact O-CB 3.2Å; A332-S335 PolarHBondContact O-N 3.3Å; A332-I336 WeakPolarHBondContact O-CD1 3.49Å; A332-I336 WeakPolarHBondContact O-CG1 3.42Å; A332-I336 PolarHBondContact O-N 2.85Å
333	V	87.3	Confident	73.8	Confident	53 Å²	53	60.3 Å²	60.3	32%	0.321	35%	0.354	S	S	.	.	H	α-helix	trans	-64.5	-36.5	178	174.1	0	0	0	0	111.8	V236 V242 L329 S337	V236-V333 HydrophobicContact CG2-CG2 4.43Å; V242-V333 HydrophobicContact CG1-CG2 3.92Å; L329-V333 HydrophobicContact CD1-CG2 3.75Å; L329-V333 HydrophobicContact CG-CG2 4.11Å; L329-V333 WeakPolarHBondContact O-CG2 3.16Å; L329-V333 PolarHBondContact O-N 3.4Å; V333-S337 WeakPolarHBondContact O-CB 3.24Å; V333-S337 PolarHBondContact O-N 3.45Å; V333-S337 PolarHBondContact O-OG 3.12Å
334	L	83.8	Confident	71.4	Confident	46 Å²	46	58.8 Å²	58.8	24%	0.241	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-47.8	171.3	-79.6	173.3	0	0	0	112.1	R324 T330 D331 A332 I336 S337 D338	R324-L334 HydrophobicContact CG-CD1 4.06Å; T330-L334 WeakPolarHBondContact O-CG 3.32Å; T330-L334 PolarHBondContact O-N 2.86Å; D331-L334 PolarHBondContact O-N 3.25Å; A332-L334 VanDerWaalsContact C-N 3.33Å; A332-L334 PolarHBondContact O-N 3.48Å; L334-I336 PolarHBondContact O-N 3.06Å; L334-I336 VanDerWaalsContact O-N 3.12Å; L334-S337 WeakPolarHBondContact O-CA 3.27Å; L334-S337 WeakPolarHBondContact O-CB 3.46Å; L334-S337 PolarHBondContact O-N 2.95Å; L334-D338 PolarHBondContact O-N 2.98Å
335	S	78.4	Confident	68.9	Low	63 Å²	63	62 Å²	62	44%	0.441	37%	0.365	S	S	.	.	H	α-helix	trans	-54.9	-34.5	179.7	-57.3	0	0	0	0	112.9	D331 A332	D331-S335 WeakPolarHBondContact O-CB 3.49Å; D331-S335 PolarHBondContact O-N 2.91Å; D331-S335 PolarHBondContact O-OG 2.94Å; A332-S335 WeakPolarHBondContact O-CB 3.2Å; A332-S335 PolarHBondContact O-N 3.3Å
336	I	81.8	Confident	66.9	Low	35 Å²	35	68 Å²	68	18%	0.179	39%	0.393	C	S	.	.	H	α-helix	trans	-79.3	-36	175.8	-61.2	155.8	0	0	0	111.5	V242 A332 L334 S339 L340	V242-I336 HydrophobicContact CB-CD1 4.45Å; V242-I336 HydrophobicContact CG1-CD1 3.59Å; A332-I336 WeakPolarHBondContact O-CD1 3.49Å; A332-I336 WeakPolarHBondContact O-CG1 3.42Å; A332-I336 PolarHBondContact O-N 2.85Å; L334-I336 PolarHBondContact O-N 3.06Å; L334-I336 VanDerWaalsContact O-N 3.12Å; I336-S339 PolarHBondContact O-OG 2.86Å; I336-L340 HydrophobicContact CG2-CD1 4.28Å; I336-L340 WeakPolarHBondContact O-CG 3.08Å; I336-L340 PolarHBondContact O-N 3.22Å
337	S	77.5	Confident	64.3	Low	48 Å²	48	76.7 Å²	76.7	34%	0.336	43%	0.429	S	S	.	.	H	α-helix	trans	-65.7	-42.5	178.4	-58.2	0	0	0	0	111.7	V333 L334 L340 L341	V333-S337 WeakPolarHBondContact O-CB 3.24Å; V333-S337 PolarHBondContact O-N 3.45Å; V333-S337 PolarHBondContact O-OG 3.12Å; L334-S337 WeakPolarHBondContact O-CA 3.27Å; L334-S337 WeakPolarHBondContact O-CB 3.46Å; L334-S337 PolarHBondContact O-N 2.95Å; S337-L340 PolarHBondContact O-N 3.21Å; S337-L341 WeakPolarHBondContact O-CG 3.38Å; S337-L341 PolarHBondContact O-N 3.44Å
338	D	63.6	Low	62.2	Low	90 Å²	90	81.6 Å²	81.6	48%	0.481	45%	0.453	S	S	.	.	H	α-helix	trans	-69.4	-36.8	-178.2	-66.5	-33	0	0	0	111.9	L334 L340 L341 V342	L334-D338 PolarHBondContact O-N 2.98Å; D338-L340 PolarHBondContact O-N 3.48Å; D338-L341 PolarHBondContact O-N 2.8Å; D338-V342 WeakPolarHBondContact O-CG2 3.48Å; D338-V342 PolarHBondContact O-N 2.89Å
339	S	59.1	Low	59.5	Low	72 Å²	72	90.7 Å²	90.7	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-65.4	-38.2	174.8	67.8	0	0	0	0	112.6	I336 V342 S343	I336-S339 PolarHBondContact O-OG 2.86Å; S339-V342 PolarHBondContact O-N 3.14Å; S339-S343 PolarHBondContact O-N 2.63Å; S339-S343 VanDerWaalsContact O-N 3.12Å
340	L	53.7	Low	56.7	Low	117 Å²	117	96.2 Å²	96.2	61%	0.613	53%	0.529	S	S	*	.	H	α-helix	trans	-66.3	-40.1	174.1	-68.9	171.6	0	0	0	112.3	I336 S337 D338 V342 S343 G344	I336-L340 HydrophobicContact CG2-CD1 4.28Å; I336-L340 WeakPolarHBondContact O-CG 3.08Å; I336-L340 PolarHBondContact O-N 3.22Å; S337-L340 PolarHBondContact O-N 3.21Å; D338-L340 PolarHBondContact O-N 3.48Å; L340-V342 VanDerWaalsContact C-N 3.34Å; L340-V342 PolarHBondContact O-N 2.72Å; L340-S343 PolarHBondContact O-N 3.23Å; L340-G344 PolarHBondContact O-N 3.01Å
341	L	44.9	Very low	54	Low	127 Å²	127	101.2 Å²	101.2	67%	0.665	55%	0.554	S	S	*	*	H	α-helix	trans	-65.8	-35.6	176.3	-72.4	173.3	0	0	0	112.6	S337 D338 G344	S337-L341 WeakPolarHBondContact O-CG 3.38Å; S337-L341 PolarHBondContact O-N 3.44Å; D338-L341 PolarHBondContact O-N 2.8Å; L341-G344 PolarHBondContact O-N 3.33Å
342	V	44.4	Very low	51.4	Low	84 Å²	84	108.7 Å²	108.7	51%	0.509	59%	0.585	S	S	.	*	H	α-helix	trans	-66	-41.6	174.3	167	0	0	0	0	111.6	D338 S339 L340 G344 L427	D338-V342 WeakPolarHBondContact O-CG2 3.48Å; D338-V342 PolarHBondContact O-N 2.89Å; S339-V342 PolarHBondContact O-N 3.14Å; L340-V342 VanDerWaalsContact C-N 3.34Å; L340-V342 PolarHBondContact O-N 2.72Å; V342-G344 VanDerWaalsContact C-N 3.31Å; V342-G344 PolarHBondContact O-N 3.26Å; V342-L427 HydrophobicContact CG1-CB 4.44Å; V342-L427 HydrophobicContact CG1-CD1 3.56Å
343	S	41.5	Very low	48.7	Very low	97 Å²	97	115.3 Å²	115.3	68%	0.678	62%	0.619	S	S	*	*	H	α-helix	trans	-72.6	-20.8	175.9	-165.9	0	0	0	0	113.6	S339 L340 R345	S339-S343 PolarHBondContact O-N 2.63Å; S339-S343 VanDerWaalsContact O-N 3.12Å; L340-S343 PolarHBondContact O-N 3.23Å; S343-R345 PolarHBondContact O-N 3.09Å
344	G	32.9	Very low	46.1	Very low	53 Å²	53	118.5 Å²	118.5	55%	0.546	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	5.3	-167.2	0	0	0	0	0	118.3	L340 L341 V342 N346	L340-G344 PolarHBondContact O-N 3.01Å; L341-G344 PolarHBondContact O-N 3.33Å; V342-G344 VanDerWaalsContact C-N 3.31Å; V342-G344 PolarHBondContact O-N 3.26Å; G344-N346 PolarHBondContact O-N 3.13Å
345	R	30.7	Very low	43.7	Very low	236 Å²	236	123.9 Å²	123.9	89%	0.891	67%	0.668	S	S	*	*			trans	-75.4	42	-169.9	-90.2	-172.5	170.6	-175.8	-1.3	116.6	S343	S343-R345 PolarHBondContact O-N 3.09Å
346	N	31.8	Very low	41.7	Very low	144 Å²	144	127 Å²	127	77%	0.77	69%	0.687	S	S	*	*	S	Bend	trans	-106.5	121.2	168.1	-84.7	-54	0	0	0	111.7	G344 V348	G344-N346 PolarHBondContact O-N 3.13Å; N346-V348 PolarHBondContact O-N 3.15Å; N346-V348 VanDerWaalsContact O-N 3.1Å
347	K	28.7	Very low	39.3	Very low	217 Å²	217	130.3 Å²	130.3	94%	0.943	71%	0.713	S	S	*	*			trans	-65.8	105.2	-172.5	-72.1	176.3	176.6	173	0	112.8
348	V	31.8	Very low	37.3	Very low	137 Å²	137	135 Å²	135	83%	0.83	73%	0.733	S	S	*	*			trans	-114.6	123.7	162.7	-176.6	0	0	0	0	109.4	N346	N346-V348 PolarHBondContact O-N 3.15Å; N346-V348 VanDerWaalsContact O-N 3.1Å
349	K	29.8	Very low	36	Very low	190 Å²	190	138.4 Å²	138.4	83%	0.826	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-82.5	133.7	179	-64.2	178.2	178.9	179.6	0	110.1	N351	K349-N351 PolarHBondContact O-N 2.83Å
350	P	30.7	Very low	34.8	Very low	128 Å²	128	141.4 Å²	141.4	83%	0.831	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-69.8	117.9	168.7	29.1	-32.5	0	0	0	109.4
351	N	30.5	Very low	33.9	Very low	153 Å²	153	144.9 Å²	144.9	82%	0.818	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-85.6	118	-177.2	-160.6	20.8	0	0	0	110.4	K349	K349-N351 PolarHBondContact O-N 2.83Å
352	K	29.5	Very low	33.4	Very low	187 Å²	187	146.8 Å²	146.8	81%	0.813	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-80.3	126.9	175	-69.3	-176.3	-177.5	-177	0	110.1
353	N	30.6	Very low	33	Very low	144 Å²	144	153 Å²	153	77%	0.77	78%	0.781	S	S	*	*			trans	175	146.9	157.2	-89.2	-21.2	0	0	0	107
354	T	33.3	Very low	32.9	Very low	120 Å²	120	152.6 Å²	152.6	74%	0.736	78%	0.778	S	S	*	*			cis	-156.4	143.2	5.1	1.1	0	0	0	0	109
355	N	32.3	Very low	33.2	Very low	160 Å²	160	157.3 Å²	157.3	86%	0.856	79%	0.786	S	S	*	*			trans	-84.9	157.3	161.5	-79.6	-6.8	0	0	0	110.2
356	P	37.5	Very low	33.5	Very low	128 Å²	128	154.6 Å²	154.6	83%	0.831	78%	0.783	S	S	*	*				-128.6	149.5	128.2	35.5	-28	0	0	0	113.2
357	S	30.9	Very low	34.4	Very low	104 Å²	104	153.4 Å²	153.4	73%	0.727	79%	0.786	S	S	*	*			trans	-83.3	161.8	172.9	177.5	0	0	0	0	111.2
358	I	35.6	Very low	34.9	Very low	146 Å²	146	151 Å²	151	75%	0.749	78%	0.783	S	S	*	*				176.6	118.3	123.2	-93.5	161	0	0	0	113
359	K	36.7	Very low	35.8	Very low	163 Å²	163	148.3 Å²	148.3	71%	0.709	78%	0.784	S	S	*	*			trans	62.1	160.6	144.1	-69.3	-177.2	170.2	-112.5	0	121.8
360	E	32.5	Very low	36.3	Very low	134 Å²	134	147.4 Å²	147.4	63%	0.626	79%	0.788	S	S	*	*			cis	175.7	127.8	-23.6	179.4	173	-132.7	0	0	109.2
361	K	36.2	Very low	36.9	Very low	191 Å²	191	144.8 Å²	144.8	83%	0.83	78%	0.784	S	S	*	*			trans	164.5	163.2	137	-90.7	178.7	-178.6	-173.5	0	113.5
362	Q	34.4	Very low	37.3	Very low	167 Å²	167	140.4 Å²	140.4	78%	0.78	78%	0.776	S	S	*	*			trans	-114.7	173.6	-161.8	-55.8	144.3	-80.9	0	0	112.9
363	Y	35.7	Very low	38	Very low	215 Å²	215	138.2 Å²	138.2	84%	0.843	78%	0.778	S	S	*	*			trans	168	107.3	131.9	-83.8	-61	0	0	0	105.9
364	S	38.3	Very low	38.6	Very low	87 Å²	87	139.6 Å²	139.6	61%	0.608	78%	0.779	S	S	*	*				66.9	147.5	94.6	75.7	0	0	0	0	114
365	E	39.6	Very low	38.8	Very low	152 Å²	152	141 Å²	141	71%	0.71	78%	0.783	S	S	*	*			cis	-138.4	149.7	16.1	-105.3	109.9	-117.5	0	0	113.9
366	E	37.6	Very low	39.3	Very low	179 Å²	179	139.9 Å²	139.9	84%	0.836	79%	0.787	S	S	*	*			trans	36.7	130.4	131.6	-55.7	177.2	178.1	0	0	124.5
367	S	49.8	Very low	39.3	Very low	119 Å²	119	142.1 Å²	142.1	83%	0.832	79%	0.786	S	S	*	*				-174.3	133.3	124	-168.8	0	0	0	0	111.3
368	D	40.6	Very low	39.8	Very low	166 Å²	166	144.3 Å²	144.3	89%	0.888	79%	0.788	S	S	*	*			trans	-99.2	164.4	-172.3	-59.8	-67.1	0	0	0	115.2
369	G	49	Very low	39.9	Very low	82 Å²	82	144.1 Å²	144.1	85%	0.845	79%	0.789	S	S	*	*			trans	-175.8	102.3	171.7	0	0	0	0	0	113.8
370	D	41.6	Very low	39.9	Very low	171 Å²	171	145.7 Å²	145.7	91%	0.914	80%	0.798	S	S	*	*			trans	-87.4	160.7	-177.2	177.5	34.8	0	0	0	113.5
371	G	42	Very low	40.2	Very low	72 Å²	72	142.3 Å²	142.3	74%	0.742	80%	0.8	S	S	*	*			trans	163.2	58.3	172.2	0	0	0	0	0	121.2
372	G	39.9	Very low	40.4	Very low	62 Å²	62	142.4 Å²	142.4	64%	0.639	80%	0.803	S	S	*	*			trans	80	98.8	131.4	0	0	0	0	0	124.4
373	V	44.4	Very low	40.5	Very low	141 Å²	141	144.9 Å²	144.9	86%	0.855	81%	0.806	S	S	*	*				58.2	152.8	129.9	-125.9	0	0	0	0	124.9
374	E	43.5	Very low	40.3	Very low	172 Å²	172	140.8 Å²	140.8	80%	0.804	81%	0.807	S	S	*	*			trans	89.8	80.6	156.5	-67.6	-177	-160.1	0	0	120.9
375	D	36.1	Very low	40.1	Very low	151 Å²	151	143.5 Å²	143.5	81%	0.807	81%	0.814	S	S	*	*				43.4	115.6	118.3	-58.3	5.2	0	0	0	121.5
376	S	43.5	Very low	39.7	Very low	135 Å²	135	146.5 Å²	146.5	94%	0.944	82%	0.819	S	S	*	*			trans	-161.5	158.5	133.9	-83.3	0	0	0	0	111.6
377	E	38.3	Very low	39.6	Very low	176 Å²	176	146 Å²	146	82%	0.822	82%	0.82	S	S	*	*			trans	-114.6	-179.7	-159.9	-161.4	177	-151.4	0	0	112.6
378	I	39.9	Very low	39	Very low	150 Å²	150	146.5 Å²	146.5	77%	0.769	81%	0.813	S	S	*	*			trans	79.4	134.7	166.4	-51.7	149.6	0	0	0	113.8
379	D	39.4	Very low	38.6	Very low	141 Å²	141	147.9 Å²	147.9	75%	0.754	82%	0.815	S	S	*	*			cis	-143.6	157.1	9.7	-154.5	-5.2	0	0	0	112.1
380	E	35.5	Very low	38.1	Very low	196 Å²	196	150.2 Å²	150.2	92%	0.916	82%	0.816	S	S	*	*			trans	-128.3	112.3	161.5	-87.4	-148.9	165.9	0	0	111.2
381	G	39.9	Very low	37.7	Very low	64 Å²	64	151.1 Å²	151.1	66%	0.66	82%	0.815	S	S	*	*			trans	-106	136	-171.9	0	0	0	0	0	116
382	E	40.3	Very low	37.4	Very low	193 Å²	193	152 Å²	152	90%	0.902	82%	0.815	S	S	*	*			trans	64.4	83.5	157	-51.9	-159.7	149.3	0	0	117.2
383	R	35	Very low	37.3	Very low	219 Å²	219	158 Å²	158	83%	0.826	83%	0.827	S	S	*	*				70.8	82.3	61.5	-158.4	-173.8	-160.5	-156.5	5.6	115.1
384	C	31.8	Very low	37	Very low	129 Å²	129	156.5 Å²	156.5	87%	0.872	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-69.8	128	160.2	-71.3	0	0	0	0	110.9
385	L	34.7	Very low	37.4	Very low	144 Å²	144	156.2 Å²	156.2	75%	0.754	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-79.6	125.5	170.6	-70	174.3	0	0	0	110.9
386	R	30.5	Very low	37.7	Very low	214 Å²	214	156.9 Å²	156.9	81%	0.808	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-98.9	148.5	153.8	-67.7	-172.7	178.1	-159.9	0.8	108.4
387	I	36.4	Very low	37.7	Very low	169 Å²	169	153.9 Å²	153.9	87%	0.867	82%	0.821	S	S	*	*			trans	-110.8	110	165.2	-60.1	176	0	0	0	105.2
388	D	36.5	Very low	38.1	Very low	129 Å²	129	151.4 Å²	151.4	69%	0.69	81%	0.813	S	S	*	*			trans	-86.7	160.7	172.9	-70.6	-54.6	0	0	0	110.4
389	E	33.1	Very low	38.5	Very low	196 Å²	196	151.3 Å²	151.3	92%	0.916	81%	0.807	S	S	*	*			trans	-72.2	138.1	178.6	-63.9	167.8	106.5	0	0	111.1
390	C	37.6	Very low	38.6	Very low	131 Å²	131	153.5 Å²	153.5	89%	0.885	81%	0.81	S	S	*	*			trans	-117.3	143.2	169.2	-70.9	0	0	0	0	110.3
391	Q	32.8	Very low	38.8	Very low	189 Å²	189	149.3 Å²	149.3	88%	0.883	80%	0.803	S	S	*	*			trans	-108.6	157.2	-170.6	-58.5	-175.4	-95	0	0	113.4
392	A	35.5	Very low	38.9	Very low	91 Å²	91	150 Å²	150	75%	0.752	81%	0.809	S	S	*	*			trans	60.8	121.3	142.6	0	0	0	0	0	121.3
393	E	39.3	Very low	38.7	Very low	187 Å²	187	147.8 Å²	147.8	87%	0.874	80%	0.804	S	S	*	*			trans	-178.4	102.9	134.7	-98.5	167	-151.9	0	0	105
394	S	38.3	Very low	39.1	Very low	111 Å²	111	145.7 Å²	145.7	78%	0.776	81%	0.807	S	S	*	*				86.6	102.9	68.1	68.6	0	0	0	0	114.6
395	D	50.3	Low	39.4	Very low	166 Å²	166	145.8 Å²	145.8	89%	0.888	80%	0.795	S	S	*	*			trans	-157.3	163.2	147.6	-152.6	-8.7	0	0	0	110.2
396	D	43	Very low	39.5	Very low	164 Å²	164	147.1 Å²	147.1	88%	0.877	79%	0.794	S	S	*	*			trans	-90.1	160.7	-163.7	-86.8	-53.6	0	0	0	116.2
397	G	43.6	Very low	39.9	Very low	72 Å²	72	144 Å²	144	74%	0.742	79%	0.792	S	S	*	*			trans	-163.4	-3.3	-174.1	0	0	0	0	0	121.1
398	D	46.2	Very low	39.7	Very low	124 Å²	124	147.1 Å²	147.1	66%	0.663	79%	0.793	S	S	*	*			trans	60.6	134.1	154.3	-137.6	-6.7	0	0	0	123.8
399	K	48.4	Very low	39.8	Very low	148 Å²	148	151.4 Å²	151.4	64%	0.643	80%	0.8	S	S	*	*			trans	66.5	109.4	154.5	-79.3	142.8	-162	157	0	124.4
400	K	42.8	Very low	39.6	Very low	187 Å²	187	149.6 Å²	149.6	81%	0.813	80%	0.796	S	S	*	*				75.2	149.4	124.7	-69.6	178.8	179.7	-177	0	120.2
401	S	39.6	Very low	39.7	Very low	109 Å²	109	150.6 Å²	150.6	76%	0.762	80%	0.798	S	S	*	*			cis	174.1	131.9	-31.3	48.8	0	0	0	0	107.3
402	G	41.2	Very low	39.6	Very low	78 Å²	78	146.2 Å²	146.2	80%	0.804	79%	0.788	S	S	*	*			trans	176	86.2	177.9	0	0	0	0	0	114.8
403	D	36.7	Very low	39.5	Very low	146 Å²	146	146.5 Å²	146.5	78%	0.781	79%	0.785	S	S	*	*			trans	-69.3	151.1	174.3	-63.9	-90.3	0	0	0	113.5
404	I	42.3	Very low	39.4	Very low	175 Å²	175	147.3 Å²	147.3	90%	0.897	79%	0.785	S	S	*	*			trans	-150.2	142.3	138	-106.4	154	0	0	0	109.1
405	Q	39.9	Very low	39	Very low	132 Å²	132	150.9 Å²	150.9	62%	0.617	79%	0.789	S	S	*	*			trans	-101.7	149.6	-166.4	-63	-171.6	23.6	0	0	114.2
406	K	35	Very low	38.1	Very low	171 Å²	171	147.7 Å²	147.7	74%	0.743	78%	0.78	S	S	*	*			trans	38.8	111.1	141	-59.4	163.4	-173	152.1	0	118.4
407	I	40	Very low	37.5	Very low	149 Å²	149	148.5 Å²	148.5	76%	0.764	78%	0.779	S	S	*	*				-129.1	127	123.6	-77.2	97.7	0	0	0	108.8
408	R	31	Very low	36.9	Very low	234 Å²	234	153.2 Å²	153.2	88%	0.883	78%	0.781	S	S	*	*			trans	-99.4	137.5	158.2	-75.9	-179.7	172.9	171.4	-3.4	108.1
409	R	39.6	Very low	36.1	Very low	220 Å²	220	151.5 Å²	151.5	83%	0.83	78%	0.779	S	S	*	*			trans	-155.3	142.2	151.9	-102.5	172.2	-158.8	98.7	0.7	108.7
410	N	29.3	Very low	35.1	Very low	158 Å²	158	152.6 Å²	152.6	85%	0.845	79%	0.79	S	S	*	*			trans	-95.9	139.7	-176.2	-53.1	-17	0	0	0	109.9
411	V	39.3	Very low	34.4	Very low	151 Å²	151	152 Å²	152	92%	0.915	79%	0.788	S	S	*	*			trans	-135.8	148.7	159	-176.5	0	0	0	0	108.2
412	S	30.8	Very low	33.9	Very low	98 Å²	98	155.3 Å²	155.3	69%	0.685	79%	0.791	S	S	*	*			trans	-103.9	154.6	-166.2	177.8	0	0	0	0	113.7
413	S	32.3	Very low	33.5	Very low	96 Å²	96	160.5 Å²	160.5	67%	0.671	79%	0.794	S	S	*	*			trans	55.4	111.5	145.3	54.8	0	0	0	0	120.6
414	K	37.5	Very low	33.4	Very low	204 Å²	204	160.7 Å²	160.7	89%	0.887	80%	0.795	S	S	*	*				-168.3	97.9	129.8	-97.8	155	-176.5	-176.3	0	107.1
415	H	30	Very low	33.2	Very low	186 Å²	186	158.4 Å²	158.4	86%	0.861	79%	0.785	S	S	*	*				44.3	96.9	95.7	-94.5	40.2	0	0	0	113.6
416	S	31.5	Very low	33.4	Very low	99 Å²	99	158.6 Å²	158.6	69%	0.692	78%	0.78	S	S	*	*			trans	-127	129	154.7	179.9	0	0	0	0	107.5
417	Q	30.4	Very low	33.7	Very low	182 Å²	182	156.8 Å²	156.8	85%	0.85	78%	0.778	S	S	*	*			trans	-102.8	98.7	175.2	-71.9	-177	-37.6	0	0	108.6
418	Q	32.1	Very low	34.2	Very low	171 Å²	171	151.8 Å²	151.8	80%	0.799	75%	0.749	S	S	*	*			trans	-112.8	95.8	168.9	-80.2	-177	-26.4	0	0	110.5
419	S	29.4	Very low	35.3	Very low	87 Å²	87	143 Å²	143	61%	0.608	72%	0.724	S	S	*	*			trans	32.5	107.9	145.1	59.5	0	0	0	0	118.7	F421	S419-F421 PolarHBondContact O-N 3.17Å; S419-F421 VanDerWaalsContact O-N 3.16Å
420	I	27.4	Very low	36.3	Very low	172 Å²	172	135.3 Å²	135.3	88%	0.882	70%	0.699	S	S	*	*			trans	-70.2	101.5	168.7	-60.1	159.3	0	0	0	109.2
421	F	27.4	Very low	37.7	Very low	175 Å²	175	134.3 Å²	134.3	77%	0.768	69%	0.694	S	S	*	*			trans	-147.6	77	175.2	-72.5	-61.9	0	0	0	112.3	S419	S419-F421 PolarHBondContact O-N 3.17Å; S419-F421 VanDerWaalsContact O-N 3.16Å
422	H	30	Very low	39.1	Very low	177 Å²	177	130.8 Å²	130.8	82%	0.819	67%	0.67	S	S	*	*			trans	179.1	109.4	150.5	-109.4	-73.8	0	0	0	109.6
423	E	32.1	Very low	41.2	Very low	187 Å²	187	127.5 Å²	127.5	87%	0.874	65%	0.645	S	S	*	*			trans	-139.6	-6.3	172.1	-148.2	165.6	-134.1	0	0	114.3	N425	E423-N425 VanDerWaalsContact C-N 3.32Å; E423-N425 PolarHBondContact O-N 2.78Å
424	D	35.3	Very low	43.4	Very low	151 Å²	151	124.8 Å²	124.8	81%	0.807	63%	0.625	S	S	*	*			trans	-82.3	0.4	177.8	-73	-59.4	0	0	0	115.1	R426	D424-R426 VanDerWaalsContact C-N 3.27Å; D424-R426 PolarHBondContact O-N 3.34Å
425	N	38	Very low	45.6	Very low	126 Å²	126	118.6 Å²	118.6	67%	0.674	61%	0.605	S	S	*	*			trans	-79.2	74.5	-178.7	-162	24.2	0	0	0	111	E423 L427	E423-N425 VanDerWaalsContact C-N 3.32Å; E423-N425 PolarHBondContact O-N 2.78Å; N425-L427 PolarHBondContact O-N 2.98Å; N425-L427 VanDerWaalsContact O-N 3.1Å
426	R	42.8	Very low	48.3	Very low	136 Å²	136	110.7 Å²	110.7	51%	0.513	57%	0.571	S	S	.	*			trans	-49.3	117.5	175.6	-69.5	-174.6	-176.2	167.4	5.3	109.4	D424 Y428	D424-R426 VanDerWaalsContact C-N 3.27Å; D424-R426 PolarHBondContact O-N 3.34Å; R426-Y428 HydrophobicContact CB-CD2 4.33Å; R426-Y428 HydrophobicContact CB-CE2 4.17Å; R426-Y428 WeakPolarHBondContact O-CD2 3.4Å; R426-Y428 PolarHBondContact O-N 3.02Å
427	L	41.2	Very low	50.8	Low	134 Å²	134	108.8 Å²	108.8	70%	0.702	55%	0.552	S	S	*	*			trans	-80.3	69	-170.6	-137	174.6	0	0	0	110.9	V342 N425 S429	V342-L427 HydrophobicContact CG1-CB 4.44Å; V342-L427 HydrophobicContact CG1-CD1 3.56Å; N425-L427 PolarHBondContact O-N 2.98Å; N425-L427 VanDerWaalsContact O-N 3.1Å; L427-S429 PolarHBondContact O-N 3.47Å
428	Y	52	Low	53.5	Low	43 Å²	43	105.2 Å²	105.2	17%	0.169	53%	0.532	C	S	.	.			trans	-52.4	127.3	168.3	-75.8	-82.2	0	0	0	109.5	R426 D432 R598	R426-Y428 HydrophobicContact CB-CD2 4.33Å; R426-Y428 HydrophobicContact CB-CE2 4.17Å; R426-Y428 WeakPolarHBondContact O-CD2 3.4Å; R426-Y428 PolarHBondContact O-N 3.02Å; Y428-D432 HydrophobicContact CD1-CB 3.89Å; Y428-D432 WeakPolarHBondContact CD1-OD2 3.37Å; Y428-R598 VanDerWaalsContact CE1-NH2 3.34Å; Y428-R598 PolarHBondContact OH-NH2 2.7Å
429	S	54.2	Low	56.2	Low	51 Å²	51	102 Å²	102	36%	0.357	53%	0.526	S	S	.	.			trans	-76.5	165.3	170.1	71.8	0	0	0	0	110.6	L427 D431 D432	L427-S429 PolarHBondContact O-N 3.47Å; S429-D431 WeakPolarHBondContact CB-OD2 3.48Å; S429-D431 PolarHBondContact O-N 2.68Å; S429-D431 VanDerWaalsContact O-N 3.16Å; S429-D431 PolarHBondContact OG-OD2 2.79Å; S429-D432 PolarHBondContact O-N 3.36Å
430	D	59.8	Low	59.1	Low	58 Å²	58	99.6 Å²	99.6	31%	0.31	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-62.3	-20.9	177.5	-146.2	46.9	0	0	0	111.4	I433 N589 R592	D430-I433 WeakPolarHBondContact O-CG1 3.37Å; D430-N589 PolarHBondContact OD1-ND2 3.47Å; D430-R592 IonicContact OD1-CZ 2.7Å; D430-R592 IonicContact OD1-NE 2.74Å; D430-R592 PolarHBondContact OD1-NE 2.82Å; D430-R592 IonicContact OD1-NH2 3.15Å; D430-R592 IonicContact OD2-CZ 2.72Å; D430-R592 IonicContact OD2-NE 3.53Å; D430-R592 PolarHBondContact OD2-NE 2.9Å; D430-R592 IonicContact OD2-NH2 2.69Å; D430-R592 PolarHBondContact OD2-NH2 3.48Å
431	D	59.2	Low	62	Low	137 Å²	137	103.3 Å²	103.3	73%	0.733	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-74.4	-27.4	-178.9	-38.2	-82.1	0	0	0	114.1	S429 I433	S429-D431 WeakPolarHBondContact CB-OD2 3.48Å; S429-D431 PolarHBondContact O-N 2.68Å; S429-D431 VanDerWaalsContact O-N 3.16Å; S429-D431 PolarHBondContact OG-OD2 2.79Å; D431-I433 PolarHBondContact O-N 3.04Å
432	D	67	Low	64.9	Low	77 Å²	77	97.6 Å²	97.6	41%	0.412	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-75.1	-9.7	178.2	-96.9	-27.7	0	0	0	112.6	Y428 S429 P434	Y428-D432 HydrophobicContact CD1-CB 3.89Å; Y428-D432 WeakPolarHBondContact CD1-OD2 3.37Å; S429-D432 PolarHBondContact O-N 3.36Å; D432-P434 WeakPolarHBondContact O-CD 3.21Å
433	I	74.9	Confident	67.7	Low	29 Å²	29	97.5 Å²	97.5	15%	0.149	48%	0.481	C	S	.	.	S	Bend	trans	-84.1	112.7	-172.9	-48.7	177.9	0	0	0	109	D430 D431 Y587 N589 I596	D430-I433 WeakPolarHBondContact O-CG1 3.37Å; D431-I433 PolarHBondContact O-N 3.04Å; I433-Y587 HydrophobicContact CD1-CD1 4.43Å; I433-Y587 HydrophobicContact CD1-CE1 4.08Å; I433-N589 WeakPolarHBondContact CD1-ND2 3.22Å; I433-I596 HydrophobicContact CD1-CD1 3.89Å; I433-I596 HydrophobicContact CG2-CD1 4.23Å; I433-I596 HydrophobicContact CG2-CG2 3.92Å
434	P	78.5	Confident	70.5	Confident	39 Å²	39	90 Å²	90	25%	0.253	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-65.6	147.4	-174	28.1	-35.6	0	0	0	111.3	D432 R598 R600 R601	D432-P434 WeakPolarHBondContact O-CD 3.21Å; P434-R598 WeakPolarHBondContact CG-O 3.45Å; P434-R600 PolarHBondContact O-NE 2.96Å; P434-R600 PolarHBondContact O-NH2 3.4Å; P434-R601 HydrophobicContact CB-CB 3.94Å; P434-R601 HydrophobicContact CG-CB 4.45Å
435	P	84.3	Confident	73.1	Confident	73 Å²	73	88.4 Å²	88.4	47%	0.474	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-63.7	150.3	172.8	26.9	-35.3	0	0	0	111.2	R601	P435-R601 WeakPolarHBondContact O-CB 3.29Å; P435-R601 WeakPolarHBondContact O-CG 3.39Å
436	P	86.1	Confident	75.5	Confident	21 Å²	21	87.4 Å²	87.4	14%	0.136	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-61.9	147.3	173.5	28.4	-36.1	0	0	0	111.5	Y438 P439 N539 R600	P436-Y438 VanDerWaalsContact C-N 3.29Å; P436-Y438 PolarHBondContact O-N 3.01Å; P436-P439 HydrophobicContact CG-CB 4.26Å; P436-P439 HydrophobicContact CG-CG 4.2Å; P436-N539 HydrophobicContact CB-CB 4.21Å; P436-N539 HydrophobicContact CG-CB 3.93Å; P436-R600 CarbonylContact C-O 3.54Å
437	L	85.2	Confident	77.8	Confident	59 Å²	59	82.3 Å²	82.3	31%	0.309	41%	0.412	S	S	.	.	S	Bend	trans	-66	-33.2	176.9	-171.4	62.6	0	0	0	112.1	V480 R600 T603	L437-V480 HydrophobicContact CD2-CG2 3.85Å; L437-R600 WeakPolarHBondContact CB-O 3.34Å; L437-R600 PolarHBondContact N-O 3.28Å; L437-T603 HydrophobicContact CD1-CG2 4.32Å; L437-T603 HydrophobicContact CD2-CG2 4.34Å
438	Y	86.3	Confident	80.3	Confident	106 Å²	106	78 Å²	78	42%	0.416	39%	0.392	S	S	.	.	S	Bend	trans	-124.1	80.1	177.9	-55.1	-72.2	0	0	0	110.5	P436 T440 Y477 C478 V480	P436-Y438 VanDerWaalsContact C-N 3.29Å; P436-Y438 PolarHBondContact O-N 3.01Å; Y438-T440 PolarHBondContact O-N 3.28Å; Y438-Y477 VanDerWaalsContact O-CE2 3.3Å; Y438-Y477 WeakPolarHBondContact O-CE2 3.34Å; Y438-C478 HydrophobicContact CD2-CB 3.83Å; Y438-C478 VanDerWaalsContact CD2-O 3.22Å; Y438-C478 WeakPolarHBondContact CD2-O 3.26Å; Y438-C478 HydrophobicContact CE2-CB 3.85Å; Y438-C478 HydrophobicContact CG-CB 4.27Å; Y438-V480 HydrophobicContact CE2-CG2 3.87Å
439	P	88.7	Confident	82.3	Confident	105 Å²	105	82.3 Å²	82.3	68%	0.682	41%	0.414	S	S	*	.			trans	-59.3	128.9	-178.4	-22	32.2	0	0	0	112.5	P436 N539	P436-P439 HydrophobicContact CG-CB 4.26Å; P436-P439 HydrophobicContact CG-CG 4.2Å; P439-N539 WeakPolarHBondContact CA-OD1 3.48Å
440	T	90.6	Very high	84.2	Confident	36 Å²	36	87 Å²	87	22%	0.221	43%	0.431	C	S	.	.			trans	-131.6	158.6	-177.2	-170.9	0	0	0	0	113.3	Y438 W442 Y477 P538 N539	Y438-T440 PolarHBondContact O-N 3.28Å; T440-W442 PolarHBondContact OG1-N 3.08Å; T440-Y477 HydrophobicContact CG2-CD2 3.53Å; T440-Y477 HydrophobicContact CG2-CE2 3.76Å; T440-Y477 HydrophobicContact CG2-CG 4.39Å; T440-P538 HydrophobicContact CG2-CB 3.96Å; T440-N539 PolarHBondContact N-OD1 3.24Å; T440-N539 PolarHBondContact O-ND2 2.84Å; T440-N539 PolarHBondContact O-OD1 2.96Å
441	R	88.9	Confident	85.9	Confident	249 Å²	249	86.3 Å²	86.3	94%	0.94	43%	0.425	S	S	*	.			trans	-110.8	-0.7	171.4	-64.2	-176.9	178.3	-178.6	0	113.2
442	W	88.5	Confident	87.6	Confident	55 Å²	55	82.1 Å²	82.1	21%	0.208	40%	0.401	C	S	.	.			trans	-63.8	157.3	173.5	166.3	82.3	0	0	0	111	T440 L444 I474 Q475 P538	T440-W442 PolarHBondContact OG1-N 3.08Å; W442-L444 HydrophobicContact CH2-CB 4.3Å; W442-L444 HydrophobicContact CH2-CD1 3.87Å; W442-L444 HydrophobicContact CZ2-CB 4.45Å; W442-L444 HydrophobicContact CZ2-CD1 4.08Å; W442-I474 HydrophobicContact CH2-CG2 4.33Å; W442-Q475 HydrophobicContact CH2-CB 4.47Å; W442-Q475 HydrophobicContact CZ2-CB 3.66Å; W442-Q475 HydrophobicContact CZ2-CG 4.01Å; W442-Q475 VanDerWaalsContact CZ2-OE1 3.27Å; W442-P538 HydrophobicContact CE3-CB 3.75Å; W442-P538 HydrophobicContact CE3-CG 4.35Å; W442-P538 HydrophobicContact CZ3-CB 3.99Å; W442-P538 HydrophobicContact CZ3-CG 4.25Å; W442-P538 WeakPolarHBondContact O-CB 3.34Å
443	K	87.4	Confident	88.9	Confident	175 Å²	175	81 Å²	81	76%	0.761	40%	0.402	S	S	*	.			trans	-130	139.1	176.9	-66.6	-175.5	178.8	-177.2	0	108.8	R445	K443-R445 PolarHBondContact O-N 2.88Å
444	L	90.7	Very high	89.9	Confident	31 Å²	31	84 Å²	84	16%	0.162	42%	0.418	C	S	.	.			trans	-55.1	126.8	177.1	-176.6	65.5	0	0	0	111	W442 F447 D546 T549 L550	W442-L444 HydrophobicContact CH2-CB 4.3Å; W442-L444 HydrophobicContact CH2-CD1 3.87Å; W442-L444 HydrophobicContact CZ2-CB 4.45Å; W442-L444 HydrophobicContact CZ2-CD1 4.08Å; L444-F447 HydrophobicContact CD1-CE1 3.97Å; L444-D546 HydrophobicContact CD2-CB 3.82Å; L444-D546 WeakPolarHBondContact CD2-O 3.25Å; L444-T549 HydrophobicContact CD2-CG2 4.25Å; L444-L550 HydrophobicContact CD1-CD2 3.7Å; L444-L550 HydrophobicContact CD1-CG 4.05Å; L444-L550 HydrophobicContact CD2-CD1 4.37Å; L444-L550 HydrophobicContact CD2-CG 3.95Å
445	R	90.4	Very high	90.7	Very high	116 Å²	116	82.5 Å²	82.5	44%	0.438	41%	0.408	S	S	.	.			trans	-121	162.4	166.4	59.8	157.6	177.9	76.1	2.2	109.5	K443 E451	K443-R445 PolarHBondContact O-N 2.88Å; R445-E451 IonicContact CZ-OE1 3.63Å; R445-E451 IonicContact CZ-OE2 3.64Å; R445-E451 IonicContact NH1-OE1 2.82Å; R445-E451 PolarHBondContact NH1-OE1 2.76Å; R445-E451 IonicContact NH1-OE2 3.53Å; R445-E451 PolarHBondContact NH1-OE2 2.63Å; R445-E451 IonicContact NH2-OE1 3.2Å; R445-E451 PolarHBondContact NH2-OE1 3.45Å; R445-E451 IonicContact NH2-OE2 3.65Å
446	P	88.7	Confident	91.3	Very high	105 Å²	105	82 Å²	82	68%	0.682	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-49.8	144.7	167.1	-26.7	35.9	0	0	0	111.8
447	F	91.3	Very high	91.8	Very high	30 Å²	30	86.8 Å²	86.8	13%	0.132	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-80.1	150.7	179.5	-73.2	20.1	0	0	0	109.9	L444 E451 K452 F455 I474 L550 N553	L444-F447 HydrophobicContact CD1-CE1 3.97Å; F447-E451 WeakPolarHBondContact CA-OE2 3.21Å; F447-E451 HydrophobicContact CB-CB 4.09Å; F447-E451 HydrophobicContact CD2-CB 4.24Å; F447-E451 HydrophobicContact CG-CB 4.28Å; F447-K452 HydrophobicContact CB-CB 4.36Å; F447-K452 HydrophobicContact CD2-CB 4.36Å; F447-F455 HydrophobicContact CD2-CB 4.43Å; F447-F455 HydrophobicContact CE2-CB 3.85Å; F447-F455 HydrophobicContact CE2-CD1 4.17Å; F447-F455 HydrophobicContact CE2-CD2 4.34Å; F447-F455 AromaticContact CE2-CG 3.86Å; F447-F455 HydrophobicContact CE2-CG 3.86Å; F447-I474 HydrophobicContact CE1-CG2 4.23Å; F447-I474 HydrophobicContact CZ-CG2 3.79Å; F447-L550 HydrophobicContact CE1-CD2 3.76Å; F447-L550 HydrophobicContact CZ-CD2 3.51Å; F447-N553 HydrophobicContact CD2-CB 4.12Å; F447-N553 WeakPolarHBondContact CD2-ND2 3.26Å; F447-N553 HydrophobicContact CE2-CB 4.2Å; F447-N553 VanDerWaalsContact CG-ND2 3.31Å; F447-N553 WeakPolarHBondContact CG-ND2 3.49Å
448	S	93.8	Very high	92.3	Very high	43 Å²	43	85.4 Å²	85.4	30%	0.301	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-71	165.2	156.9	73.3	0	0	0	0	110	E450 E451 K452	S448-E450 PolarHBondContact O-N 3.45Å; S448-E450 PolarHBondContact OG-N 3.49Å; S448-E451 PolarHBondContact N-OE2 2.93Å; S448-E451 PolarHBondContact O-N 2.91Å; S448-E451 WeakPolarHBondContact OG-CG 3.37Å; S448-E451 PolarHBondContact OG-N 3.47Å; S448-E451 VanDerWaalsContact OG-N 3.07Å; S448-K452 VanDerWaalsContact O-CB 3.31Å; S448-K452 WeakPolarHBondContact O-CB 3.38Å; S448-K452 PolarHBondContact O-N 2.73Å
449	E	93.4	Very high	92.8	Very high	133 Å²	133	80.5 Å²	80.5	62%	0.621	40%	0.395	S	S	*	.	H	α-helix	trans	-65.7	-26.7	175.4	-165.9	62.2	-158.2	0	0	111.6	K452 A453	E449-K452 IonicContact OE1-NZ 3.77Å; E449-K452 PolarHBondContact OE1-NZ 3.38Å; E449-K452 IonicContact OE2-NZ 2.7Å; E449-K452 PolarHBondContact OE2-NZ 2.97Å; E449-A453 WeakPolarHBondContact O-CB 3.39Å; E449-A453 PolarHBondContact O-N 3.01Å
450	E	95.1	Very high	93	Very high	151 Å²	151	77.8 Å²	77.8	71%	0.706	38%	0.382	S	S	*	.	H	α-helix	trans	-67.8	-53.2	172.2	-61.1	164.7	160.8	0	0	111.1	S448 K452 A453 D454	S448-E450 PolarHBondContact O-N 3.45Å; S448-E450 PolarHBondContact OG-N 3.49Å; E450-K452 PolarHBondContact O-N 3.47Å; E450-A453 WeakPolarHBondContact O-CA 3.41Å; E450-A453 WeakPolarHBondContact O-CB 3.29Å; E450-A453 PolarHBondContact O-N 3.39Å; E450-D454 PolarHBondContact O-N 3.11Å
451	E	94.7	Very high	93.2	Very high	42 Å²	42	81.2 Å²	81.2	20%	0.196	40%	0.395	C	S	.	.	H	α-helix	trans	-60.2	-30.5	176.9	-70.2	173.1	142.6	0	0	112.6	R445 F447 S448 F455 Q475	R445-E451 IonicContact CZ-OE1 3.63Å; R445-E451 IonicContact CZ-OE2 3.64Å; R445-E451 IonicContact NH1-OE1 2.82Å; R445-E451 PolarHBondContact NH1-OE1 2.76Å; R445-E451 IonicContact NH1-OE2 3.53Å; R445-E451 PolarHBondContact NH1-OE2 2.63Å; R445-E451 IonicContact NH2-OE1 3.2Å; R445-E451 PolarHBondContact NH2-OE1 3.45Å; R445-E451 IonicContact NH2-OE2 3.65Å; F447-E451 WeakPolarHBondContact CA-OE2 3.21Å; F447-E451 HydrophobicContact CB-CB 4.09Å; F447-E451 HydrophobicContact CD2-CB 4.24Å; F447-E451 HydrophobicContact CG-CB 4.28Å; S448-E451 PolarHBondContact N-OE2 2.93Å; S448-E451 PolarHBondContact O-N 2.91Å; S448-E451 WeakPolarHBondContact OG-CG 3.37Å; S448-E451 PolarHBondContact OG-N 3.47Å; S448-E451 VanDerWaalsContact OG-N 3.07Å; E451-F455 VanDerWaalsContact O-CB 3.23Å; E451-F455 WeakPolarHBondContact O-CB 3.25Å; E451-F455 PolarHBondContact O-N 2.87Å; E451-Q475 WeakPolarHBondContact OE1-CG 3.35Å; E451-Q475 PolarHBondContact OE2-NE2 3.06Å
452	K	94.7	Very high	93.4	Very high	50 Å²	50	69.5 Å²	69.5	22%	0.217	35%	0.351	C	S	.	.	H	α-helix	trans	-71.7	-41.2	173.5	172.5	167.5	158.4	-103.7	0	111.8	F447 S448 E449 E450 F455 Q456 N553	F447-K452 HydrophobicContact CB-CB 4.36Å; F447-K452 HydrophobicContact CD2-CB 4.36Å; S448-K452 VanDerWaalsContact O-CB 3.31Å; S448-K452 WeakPolarHBondContact O-CB 3.38Å; S448-K452 PolarHBondContact O-N 2.73Å; E449-K452 IonicContact OE1-NZ 3.77Å; E449-K452 PolarHBondContact OE1-NZ 3.38Å; E449-K452 IonicContact OE2-NZ 2.7Å; E449-K452 PolarHBondContact OE2-NZ 2.97Å; E450-K452 PolarHBondContact O-N 3.47Å; K452-F455 PolarHBondContact O-N 2.96Å; K452-Q456 WeakPolarHBondContact O-CB 3.2Å; K452-Q456 WeakPolarHBondContact O-CG 3.15Å; K452-Q456 PolarHBondContact O-N 3.37Å; K452-N553 HydrophobicContact CG-CB 4.43Å
453	A	95.7	Very high	93.5	Very high	52 Å²	52	67 Å²	67	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-44.7	172.2	0	0	0	0	0	111.7	E449 E450 F455 Q456 L457	E449-A453 WeakPolarHBondContact O-CB 3.39Å; E449-A453 PolarHBondContact O-N 3.01Å; E450-A453 WeakPolarHBondContact O-CA 3.41Å; E450-A453 WeakPolarHBondContact O-CB 3.29Å; E450-A453 PolarHBondContact O-N 3.39Å; A453-F455 PolarHBondContact O-N 3.34Å; A453-Q456 PolarHBondContact O-N 2.77Å; A453-L457 WeakPolarHBondContact O-CB 3.32Å; A453-L457 PolarHBondContact O-N 2.81Å
454	D	95.7	Very high	93.6	Very high	92 Å²	92	61.8 Å²	61.8	49%	0.492	33%	0.328	S	S	.	.	H	α-helix	trans	-62.6	-39.7	176.8	-70.3	-23	0	0	0	112.3	E450 L457 Q458	E450-D454 PolarHBondContact O-N 3.11Å; D454-L457 PolarHBondContact O-N 3.09Å; D454-Q458 WeakPolarHBondContact O-CG 3.32Å; D454-Q458 PolarHBondContact O-N 3.13Å; D454-Q458 VanDerWaalsContact O-N 3.11Å; D454-Q458 PolarHBondContact O-NE2 2.84Å
455	F	95.5	Very high	93.5	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.035	34%	0.339	C	S	.	.	H	α-helix	trans	-66.3	-41.1	174.9	178.8	-109.7	0	0	0	111.9	F447 E451 K452 A453 Q458 E459 Y472 I474 N553	F447-F455 HydrophobicContact CD2-CB 4.43Å; F447-F455 HydrophobicContact CE2-CB 3.85Å; F447-F455 HydrophobicContact CE2-CD1 4.17Å; F447-F455 HydrophobicContact CE2-CD2 4.34Å; F447-F455 AromaticContact CE2-CG 3.86Å; F447-F455 HydrophobicContact CE2-CG 3.86Å; E451-F455 VanDerWaalsContact O-CB 3.23Å; E451-F455 WeakPolarHBondContact O-CB 3.25Å; E451-F455 PolarHBondContact O-N 2.87Å; K452-F455 PolarHBondContact O-N 2.96Å; A453-F455 PolarHBondContact O-N 3.34Å; F455-Q458 PolarHBondContact O-N 3.48Å; F455-E459 WeakPolarHBondContact O-CB 3.42Å; F455-E459 PolarHBondContact O-N 3.01Å; F455-Y472 HydrophobicContact CD2-CD1 4.29Å; F455-Y472 HydrophobicContact CD2-CE1 4.38Å; F455-Y472 HydrophobicContact CE2-CD1 4.09Å; F455-Y472 AromaticContact CE2-CE1 3.97Å; F455-Y472 HydrophobicContact CE2-CE1 3.97Å; F455-I474 HydrophobicContact CD2-CD1 3.77Å; F455-I474 HydrophobicContact CD2-CG1 4.06Å; F455-I474 HydrophobicContact CE2-CD1 3.68Å; F455-I474 HydrophobicContact CE2-CG1 4.46Å; F455-N553 HydrophobicContact CD1-CB 3.87Å; F455-N553 HydrophobicContact CE1-CB 4.11Å
456	Q	96.1	Very high	93.4	Very high	63 Å²	63	59.2 Å²	59.2	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-68.7	-33.3	176.8	-71.5	-179.6	4.9	0	0	112.8	K452 A453 E459 A460 N553	K452-Q456 WeakPolarHBondContact O-CB 3.2Å; K452-Q456 WeakPolarHBondContact O-CG 3.15Å; K452-Q456 PolarHBondContact O-N 3.37Å; A453-Q456 PolarHBondContact O-N 2.77Å; Q456-E459 PolarHBondContact O-N 3.05Å; Q456-A460 WeakPolarHBondContact O-CB 3.31Å; Q456-A460 PolarHBondContact O-N 3.4Å; Q456-N553 VanDerWaalsContact CG-O 3.25Å; Q456-N553 WeakPolarHBondContact CG-O 3.44Å; Q456-N553 PolarHBondContact NE2-O 3.49Å
457	L	96.4	Very high	93.2	Very high	121 Å²	121	56.5 Å²	56.5	63%	0.634	30%	0.296	S	S	*	.	H	α-helix	trans	-65.6	-45.8	173.7	-177.6	61.5	0	0	0	111.3	A453 D454 A460 E461	A453-L457 WeakPolarHBondContact O-CB 3.32Å; A453-L457 PolarHBondContact O-N 2.81Å; D454-L457 PolarHBondContact O-N 3.09Å; L457-A460 PolarHBondContact O-N 3.19Å; L457-E461 PolarHBondContact O-N 2.87Å
458	Q	96.8	Very high	93.2	Very high	31 Å²	31	56.7 Å²	56.7	15%	0.145	30%	0.301	C	S	.	.	H	α-helix	trans	-62.8	-40.2	173.5	-71.8	173.9	71.4	0	0	112.4	D454 F455 A460 E461 R462 F470 Y472 H473	D454-Q458 WeakPolarHBondContact O-CG 3.32Å; D454-Q458 PolarHBondContact O-N 3.13Å; D454-Q458 VanDerWaalsContact O-N 3.11Å; D454-Q458 PolarHBondContact O-NE2 2.84Å; F455-Q458 PolarHBondContact O-N 3.48Å; Q458-A460 VanDerWaalsContact C-N 3.33Å; Q458-A460 PolarHBondContact O-N 3.24Å; Q458-E461 PolarHBondContact O-N 3.34Å; Q458-R462 VanDerWaalsContact O-CB 3.3Å; Q458-R462 WeakPolarHBondContact O-CB 3.41Å; Q458-R462 PolarHBondContact O-N 2.81Å; Q458-F470 HydrophobicContact CB-CE1 4.04Å; Q458-F470 HydrophobicContact CB-CZ 3.95Å; Q458-F470 HydrophobicContact CG-CZ 4.33Å; Q458-F470 WeakPolarHBondContact O-CZ 3.43Å; Q458-Y472 HydrophobicContact CB-CD1 3.94Å; Q458-Y472 HydrophobicContact CB-CE1 4.14Å; Q458-H473 PolarHBondContact NE2-O 3.41Å; Q458-H473 PolarHBondContact OE1-O 3.17Å
459	E	95.2	Very high	93.1	Very high	2 Å²	2	55 Å²	55	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-44.4	174.6	-163.5	-175.4	-154.1	0	0	110.5	F455 Q456 R462 F463 S554 G555 F556	F455-E459 WeakPolarHBondContact O-CB 3.42Å; F455-E459 PolarHBondContact O-N 3.01Å; Q456-E459 PolarHBondContact O-N 3.05Å; E459-R462 PolarHBondContact O-N 3.25Å; E459-F463 HydrophobicContact CG-CD2 3.82Å; E459-F463 HydrophobicContact CG-CE2 3.78Å; E459-F463 VanDerWaalsContact O-CD2 3.25Å; E459-F463 WeakPolarHBondContact O-CD2 3.35Å; E459-F463 PolarHBondContact O-N 2.93Å; E459-S554 VanDerWaalsContact CD-OG 3.26Å; E459-S554 VanDerWaalsContact OE1-CB 3.3Å; E459-S554 WeakPolarHBondContact OE1-CB 3.47Å; E459-S554 PolarHBondContact OE1-OG 3.19Å; E459-S554 VanDerWaalsContact OE2-CA 3.31Å; E459-S554 WeakPolarHBondContact OE2-CA 3.38Å; E459-S554 PolarHBondContact OE2-OG 3.12Å; E459-S554 VanDerWaalsContact OE2-OG 3.12Å; E459-G555 PolarHBondContact OE2-N 3.44Å; E459-F556 HydrophobicContact CG-CD2 4.04Å; E459-F556 HydrophobicContact CG-CE2 3.92Å
460	A	94	Very high	93.2	Very high	48 Å²	48	49.9 Å²	49.9	40%	0.397	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-45	176.9	0	0	0	0	0	113.3	Q456 L457 Q458 R462 F463 S464	Q456-A460 WeakPolarHBondContact O-CB 3.31Å; Q456-A460 PolarHBondContact O-N 3.4Å; L457-A460 PolarHBondContact O-N 3.19Å; Q458-A460 VanDerWaalsContact C-N 3.33Å; Q458-A460 PolarHBondContact O-N 3.24Å; A460-R462 VanDerWaalsContact C-N 3.29Å; A460-R462 PolarHBondContact O-N 2.99Å; A460-F463 PolarHBondContact O-N 3.02Å; A460-S464 PolarHBondContact O-N 3.13Å; A460-S464 VanDerWaalsContact O-N 3.12Å
461	E	94.1	Very high	93.2	Very high	108 Å²	108	44.4 Å²	44.4	51%	0.505	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-39.3	175.7	-175.7	-174.4	-175.7	0	0	112	L457 Q458 S464 H465 F470	L457-E461 PolarHBondContact O-N 2.87Å; Q458-E461 PolarHBondContact O-N 3.34Å; E461-S464 PolarHBondContact O-OG 2.83Å; E461-H465 PolarHBondContact O-ND1 2.84Å; E461-F470 HydrophobicContact CB-CE2 4.24Å; E461-F470 HydrophobicContact CG-CE2 4.03Å
462	R	93.2	Very high	93.3	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.011	23%	0.232	C	C	.	.	H	α-helix	trans	-68	-46.1	177.8	177.9	171.1	168.4	60.2	-14.3	112.7	Q458 E459 A460 S464 H465 F470 Y472 V481 G482 D532	Q458-R462 VanDerWaalsContact O-CB 3.3Å; Q458-R462 WeakPolarHBondContact O-CB 3.41Å; Q458-R462 PolarHBondContact O-N 2.81Å; E459-R462 PolarHBondContact O-N 3.25Å; A460-R462 VanDerWaalsContact C-N 3.29Å; A460-R462 PolarHBondContact O-N 2.99Å; R462-S464 VanDerWaalsContact C-N 3.26Å; R462-S464 PolarHBondContact O-N 3.46Å; R462-H465 CarbonylContact O-C 3.55Å; R462-H465 PolarHBondContact O-N 3.21Å; R462-H465 VanDerWaalsContact O-N 3.16Å; R462-F470 HydrophobicContact CB-CB 4.24Å; R462-F470 HydrophobicContact CB-CD1 3.92Å; R462-F470 HydrophobicContact CB-CD2 3.82Å; R462-F470 HydrophobicContact CB-CE1 4.18Å; R462-F470 HydrophobicContact CB-CE2 4.1Å; R462-F470 HydrophobicContact CB-CG 3.72Å; R462-F470 HydrophobicContact CB-CZ 4.27Å; R462-F470 HydrophobicContact CG-CB 3.74Å; R462-F470 HydrophobicContact CG-CD1 4.12Å; R462-F470 HydrophobicContact CG-CD2 4.25Å; R462-F470 HydrophobicContact CG-CG 3.79Å; R462-F470 VanDerWaalsContact NH1-CB 3.34Å; R462-Y472 WeakPolarHBondContact CD-OH 3.49Å; R462-V481 VanDerWaalsContact NH2-CB 3.32Å; R462-V481 VanDerWaalsContact NH2-CG2 3.28Å; R462-G482 PolarHBondContact NH1-O 2.81Å; R462-G482 PolarHBondContact NH2-O 3.05Å; R462-D532 WeakPolarHBondContact CD-OD2 3.48Å; R462-D532 IonicContact CZ-OD1 3.08Å; R462-D532 IonicContact CZ-OD2 3.12Å; R462-D532 IonicContact NE-OD1 2.75Å; R462-D532 IonicContact NE-OD2 3.79Å; R462-D532 PolarHBondContact NE-OD2 3.44Å; R462-D532 IonicContact NH2-OD1 3.67Å; R462-D532 PolarHBondContact NH2-OD1 2.99Å; R462-D532 IonicContact NH2-OD2 2.85Å
463	F	91.4	Very high	93.2	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.013	24%	0.242	C	C	.	.	H	α-helix	trans	-76.1	-11.3	-178	-79	-74.4	0	0	0	113.5	E459 A460 L484 V524 E528 I529 F556	E459-F463 HydrophobicContact CG-CD2 3.82Å; E459-F463 HydrophobicContact CG-CE2 3.78Å; E459-F463 VanDerWaalsContact O-CD2 3.25Å; E459-F463 WeakPolarHBondContact O-CD2 3.35Å; E459-F463 PolarHBondContact O-N 2.93Å; A460-F463 PolarHBondContact O-N 3.02Å; F463-L484 HydrophobicContact CD1-CD1 3.58Å; F463-L484 HydrophobicContact CD1-CD2 4.29Å; F463-L484 HydrophobicContact CE1-CD1 3.7Å; F463-L484 HydrophobicContact CE1-CD2 3.65Å; F463-L484 HydrophobicContact CE1-CG 4.34Å; F463-L484 HydrophobicContact CZ-CD2 4.38Å; F463-V524 HydrophobicContact CB-CG2 4.04Å; F463-V524 HydrophobicContact CD1-CB 4.39Å; F463-V524 HydrophobicContact CD1-CG2 3.51Å; F463-V524 HydrophobicContact CD2-CG2 4.17Å; F463-V524 HydrophobicContact CE1-CB 4.37Å; F463-V524 HydrophobicContact CE1-CG2 3.94Å; F463-V524 HydrophobicContact CG-CG2 3.66Å; F463-V524 HydrophobicContact CZ-CG2 4.44Å; F463-E528 HydrophobicContact CE1-CB 4.31Å; F463-E528 HydrophobicContact CZ-CB 4.32Å; F463-I529 HydrophobicContact CE2-CG1 4.46Å; F463-I529 HydrophobicContact CZ-CG1 4.27Å; F463-F556 HydrophobicContact CB-CE2 4.28Å; F463-F556 HydrophobicContact CB-CZ 4.44Å; F463-F556 HydrophobicContact CD2-CD2 4.21Å; F463-F556 AromaticContact CD2-CE2 3.64Å; F463-F556 HydrophobicContact CD2-CE2 3.64Å; F463-F556 HydrophobicContact CE2-CD2 4.43Å; F463-F556 HydrophobicContact CE2-CE2 4.3Å; F463-F556 HydrophobicContact CG-CE2 4.19Å
464	S	88.7	Confident	93	Very high	66 Å²	66	42.3 Å²	42.3	46%	0.462	22%	0.224	S	C	.	.	H	α-helix	trans	-79.4	-20.7	165.8	68	0	0	0	0	113.6	A460 E461 R462 P466	A460-S464 PolarHBondContact O-N 3.13Å; A460-S464 VanDerWaalsContact O-N 3.12Å; E461-S464 PolarHBondContact O-OG 2.83Å; R462-S464 VanDerWaalsContact C-N 3.26Å; R462-S464 PolarHBondContact O-N 3.46Å; S464-P466 WeakPolarHBondContact O-CD 3.03Å
465	H	87.8	Confident	92.6	Very high	88 Å²	88	39.1 Å²	39.1	41%	0.407	21%	0.205	S	C	.	.	S	Bend	trans	-114.5	57.6	175.7	-58.4	95.4	0	0	0	112.6	E461 R462 W467 S468	E461-H465 PolarHBondContact O-ND1 2.84Å; R462-H465 CarbonylContact O-C 3.55Å; R462-H465 PolarHBondContact O-N 3.21Å; R462-H465 VanDerWaalsContact O-N 3.16Å; H465-W467 PolarHBondContact O-N 3.17Å; H465-S468 WeakPolarHBondContact O-CB 3.38Å; H465-S468 PolarHBondContact O-N 2.92Å
466	P	88.2	Confident	91.9	Very high	4 Å²	4	46 Å²	46	3%	0.026	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.6	-167.2	27.7	-38.3	0	0	0	115.1	S464 L484 A487 F523	S464-P466 WeakPolarHBondContact O-CD 3.03Å; P466-L484 HydrophobicContact CB-CB 4.46Å; P466-L484 HydrophobicContact CB-CD1 3.48Å; P466-L484 VanDerWaalsContact CB-CD1 3.48Å; P466-L484 HydrophobicContact CB-CG 4.15Å; P466-L484 PolarHBondContact O-N 2.81Å; P466-A487 VanDerWaalsContact C-CB 3.47Å; P466-A487 HydrophobicContact CB-CB 4.15Å; P466-A487 WeakPolarHBondContact O-CB 3.49Å; P466-F523 HydrophobicContact CB-CB 4.37Å; P466-F523 HydrophobicContact CB-CD2 3.97Å; P466-F523 HydrophobicContact CB-CG 4.14Å; P466-F523 HydrophobicContact CG-CD2 3.82Å; P466-F523 HydrophobicContact CG-CE2 3.94Å; P466-F523 HydrophobicContact CG-CG 4.42Å
467	W	86.3	Confident	91.6	Very high	49 Å²	49	43.6 Å²	43.6	19%	0.186	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-13.3	175	53.4	76.5	0	0	0	113.9	H465 P483 A487 P488 P490 H493 H611	H465-W467 PolarHBondContact O-N 3.17Å; W467-P483 WeakPolarHBondContact O-CB 3.08Å; W467-P483 WeakPolarHBondContact O-CG 3.32Å; W467-A487 HydrophobicContact CB-CB 4.25Å; W467-P488 VanDerWaalsContact CB-O 3.3Å; W467-P488 WeakPolarHBondContact CB-O 3.21Å; W467-P490 HydrophobicContact CB-CG 4.21Å; W467-P490 HydrophobicContact CG-CG 4.16Å; W467-H493 AromaticContact CE3-CD2 3.99Å; W467-H493 AromaticContact CH2-CD2 3.73Å; W467-H493 AromaticContact CH2-CE1 3.38Å; W467-H493 WeakPolarHBondContact CH2-CE1 3.43Å; W467-H493 AromaticContact CH2-ND1 3.82Å; W467-H493 AromaticContact CH2-NE2 3.33Å; W467-H493 VanDerWaalsContact CH2-NE2 3.33Å; W467-H493 WeakPolarHBondContact CH2-NE2 3.47Å; W467-H493 AromaticContact CZ2-CE1 3.96Å; W467-H493 AromaticContact CZ3-CD2 3.37Å; W467-H493 WeakPolarHBondContact CZ3-CD2 3.48Å; W467-H493 AromaticContact CZ3-CE1 3.88Å; W467-H493 AromaticContact CZ3-CG 3.89Å; W467-H493 AromaticContact CZ3-NE2 3.39Å; W467-H493 WeakPolarHBondContact CZ3-NE2 3.23Å; W467-H611 PolarHBondContact O-CD2 2.87Å
468	S	89.4	Confident	91.4	Very high	34 Å²	34	39.6 Å²	39.6	24%	0.238	21%	0.213	C	C	.	.	S	Bend	trans	-92	146.5	-178.4	-169.2	0	0	0	0	111.6	H465 P483	H465-S468 WeakPolarHBondContact O-CB 3.38Å; H465-S468 PolarHBondContact O-N 2.92Å; S468-P483 WeakPolarHBondContact O-CA 3.44Å
469	P	93.4	Very high	91.3	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.039	21%	0.207	C	C	.	.			trans	-61.7	162.9	154.4	-5.7	21	0	0	0	109.5	V481 P483 F604 F607 A608	P469-V481 CarbonylContact C-O 3.56Å; P469-V481 WeakPolarHBondContact CA-O 3.43Å; P469-P483 HydrophobicContact CG-CG 4.26Å; P469-F604 HydrophobicContact CB-CD1 4.38Å; P469-F604 HydrophobicContact CB-CD2 3.7Å; P469-F604 HydrophobicContact CB-CE1 4.45Å; P469-F604 HydrophobicContact CB-CE2 3.8Å; P469-F604 HydrophobicContact CB-CG 4Å; P469-F604 HydrophobicContact CB-CZ 4.17Å; P469-F604 HydrophobicContact CG-CD1 4.07Å; P469-F604 HydrophobicContact CG-CD2 4.27Å; P469-F604 HydrophobicContact CG-CE1 4.01Å; P469-F604 HydrophobicContact CG-CE2 4.23Å; P469-F604 HydrophobicContact CG-CG 4.19Å; P469-F604 HydrophobicContact CG-CZ 4.09Å; P469-F604 VanDerWaalsContact CG-O 3.25Å; P469-F604 WeakPolarHBondContact CG-O 3.42Å; P469-F604 WeakPolarHBondContact O-CE2 3.2Å; P469-F607 HydrophobicContact CB-CB 3.84Å; P469-F607 HydrophobicContact CG-CB 3.81Å; P469-A608 HydrophobicContact CG-CB 4.01Å
470	F	95.5	Very high	91.2	Very high	26 Å²	26	38.8 Å²	38.8	11%	0.114	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	159.3	177.5	-172.6	-97.3	0	0	0	110.3	Q458 E461 R462 Y472 V480 V481	Q458-F470 HydrophobicContact CB-CE1 4.04Å; Q458-F470 HydrophobicContact CB-CZ 3.95Å; Q458-F470 HydrophobicContact CG-CZ 4.33Å; Q458-F470 WeakPolarHBondContact O-CZ 3.43Å; E461-F470 HydrophobicContact CB-CE2 4.24Å; E461-F470 HydrophobicContact CG-CE2 4.03Å; R462-F470 HydrophobicContact CB-CB 4.24Å; R462-F470 HydrophobicContact CB-CD1 3.92Å; R462-F470 HydrophobicContact CB-CD2 3.82Å; R462-F470 HydrophobicContact CB-CE1 4.18Å; R462-F470 HydrophobicContact CB-CE2 4.1Å; R462-F470 HydrophobicContact CB-CG 3.72Å; R462-F470 HydrophobicContact CB-CZ 4.27Å; R462-F470 HydrophobicContact CG-CB 3.74Å; R462-F470 HydrophobicContact CG-CD1 4.12Å; R462-F470 HydrophobicContact CG-CD2 4.25Å; R462-F470 HydrophobicContact CG-CG 3.79Å; R462-F470 VanDerWaalsContact NH1-CB 3.34Å; F470-Y472 HydrophobicContact CD1-CD1 4.23Å; F470-Y472 AromaticContact CD1-CD2 3.99Å; F470-Y472 HydrophobicContact CD1-CD2 3.99Å; F470-Y472 HydrophobicContact CD1-CE1 4.44Å; F470-Y472 HydrophobicContact CD1-CE2 4.23Å; F470-Y472 HydrophobicContact CD1-CG 4.01Å; F470-Y472 AromaticContact CE1-CD1 3.75Å; F470-Y472 HydrophobicContact CE1-CD1 3.75Å; F470-Y472 HydrophobicContact CE1-CD2 4.34Å; F470-Y472 HydrophobicContact CE1-CE1 4.09Å; F470-Y472 AromaticContact CE1-CG 3.91Å; F470-Y472 HydrophobicContact CE1-CG 3.91Å; F470-V480 WeakPolarHBondContact O-CA 3.49Å; F470-V481 HydrophobicContact CB-CG2 4.05Å; F470-V481 PolarHBondContact N-O 2.6Å; F470-V481 WeakPolarHBondContact O-CG2 3.44Å; F470-V481 PolarHBondContact O-N 2.84Å
471	V	95.3	Very high	91.2	Very high	36 Å²	36	36.5 Å²	36.5	22%	0.218	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	102.8	176.7	-172.5	0	0	0	0	108.9	H473 C478 A479 V480 F604	V471-H473 PolarHBondContact O-CE1 3.45Å; V471-H473 PolarHBondContact O-ND1 3.3Å; V471-H473 VanDerWaalsContact O-ND1 3.09Å; V471-C478 HydrophobicContact CG1-CB 4.14Å; V471-A479 WeakPolarHBondContact CA-O 3.3Å; V471-V480 HydrophobicContact CG2-CG1 4.4Å; V471-V480 HydrophobicContact CG2-CG2 4.28Å; V471-F604 HydrophobicContact CG2-CD2 4.07Å
472	Y	95.7	Very high	91.1	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143.9	171.2	-73.6	-80.9	0	0	0	110.4	F455 Q458 R462 F470 C478 A479 V481 D532 C536	F455-Y472 HydrophobicContact CD2-CD1 4.29Å; F455-Y472 HydrophobicContact CD2-CE1 4.38Å; F455-Y472 HydrophobicContact CE2-CD1 4.09Å; F455-Y472 AromaticContact CE2-CE1 3.97Å; F455-Y472 HydrophobicContact CE2-CE1 3.97Å; Q458-Y472 HydrophobicContact CB-CD1 3.94Å; Q458-Y472 HydrophobicContact CB-CE1 4.14Å; R462-Y472 WeakPolarHBondContact CD-OH 3.49Å; F470-Y472 HydrophobicContact CD1-CD1 4.23Å; F470-Y472 AromaticContact CD1-CD2 3.99Å; F470-Y472 HydrophobicContact CD1-CD2 3.99Å; F470-Y472 HydrophobicContact CD1-CE1 4.44Å; F470-Y472 HydrophobicContact CD1-CE2 4.23Å; F470-Y472 HydrophobicContact CD1-CG 4.01Å; F470-Y472 AromaticContact CE1-CD1 3.75Å; F470-Y472 HydrophobicContact CE1-CD1 3.75Å; F470-Y472 HydrophobicContact CE1-CD2 4.34Å; F470-Y472 HydrophobicContact CE1-CE1 4.09Å; F470-Y472 AromaticContact CE1-CG 3.91Å; F470-Y472 HydrophobicContact CE1-CG 3.91Å; Y472-C478 CarbonylContact O-C 3.6Å; Y472-C478 VanDerWaalsContact O-CA 3.31Å; Y472-C478 WeakPolarHBondContact O-CA 3.39Å; Y472-A479 PolarHBondContact N-O 3.09Å; Y472-A479 PolarHBondContact O-N 2.84Å; Y472-V481 HydrophobicContact CD2-CG1 4.46Å; Y472-V481 HydrophobicContact CD2-CG2 3.71Å; Y472-V481 HydrophobicContact CE2-CG2 3.75Å; Y472-D532 HydrophobicContact CE2-CB 3.85Å; Y472-D532 WeakPolarHBondContact CE2-OD2 3.32Å; Y472-D532 PolarHBondContact OH-OD2 2.86Å; Y472-C536 VanDerWaalsContact CD2-SG 3.59Å
473	H	93.6	Very high	91	Very high	90 Å²	90	31.8 Å²	31.8	42%	0.417	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	110.9	174.5	-64.9	81.2	0	0	0	108.4	Q458 V471 C478	Q458-H473 PolarHBondContact NE2-O 3.41Å; Q458-H473 PolarHBondContact OE1-O 3.17Å; V471-H473 PolarHBondContact O-CE1 3.45Å; V471-H473 PolarHBondContact O-ND1 3.3Å; V471-H473 VanDerWaalsContact O-ND1 3.09Å; H473-C478 PolarHBondContact CD2-SG 3.22Å
474	I	91.3	Very high	90.8	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.046	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	116.3	-170.4	-63.8	167.8	0	0	0	108.9	W442 F447 F455 N476 Y477 C536	W442-I474 HydrophobicContact CH2-CG2 4.33Å; F447-I474 HydrophobicContact CE1-CG2 4.23Å; F447-I474 HydrophobicContact CZ-CG2 3.79Å; F455-I474 HydrophobicContact CD2-CD1 3.77Å; F455-I474 HydrophobicContact CD2-CG1 4.06Å; F455-I474 HydrophobicContact CE2-CD1 3.68Å; F455-I474 HydrophobicContact CE2-CG1 4.46Å; I474-N476 VanDerWaalsContact C-N 3.25Å; I474-N476 PolarHBondContact O-N 2.96Å; I474-N476 VanDerWaalsContact O-N 3.11Å; I474-Y477 PolarHBondContact N-O 3.36Å; I474-Y477 WeakPolarHBondContact O-CB 3.38Å; I474-Y477 PolarHBondContact O-N 2.96Å; I474-C536 HydrophobicContact CD1-CB 3.47Å; I474-C536 VanDerWaalsContact CD1-CB 3.47Å; I474-C536 WeakPolarHBondContact CD1-SG 3.46Å
475	Q	85.8	Confident	90.1	Very high	24 Å²	24	32.1 Å²	32.1	11%	0.112	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	44.6	174.9	-53.8	-166	11.1	0	0	114.3	W442 E451	W442-Q475 HydrophobicContact CH2-CB 4.47Å; W442-Q475 HydrophobicContact CZ2-CB 3.66Å; W442-Q475 HydrophobicContact CZ2-CG 4.01Å; W442-Q475 VanDerWaalsContact CZ2-OE1 3.27Å; E451-Q475 WeakPolarHBondContact OE1-CG 3.35Å; E451-Q475 PolarHBondContact OE2-NE2 3.06Å
476	N	82.6	Confident	89.1	Confident	154 Å²	154	32.4 Å²	32.4	82%	0.824	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.7	25.6	-176.4	-47.5	-34.4	0	0	0	115.7	I474	I474-N476 VanDerWaalsContact C-N 3.25Å; I474-N476 PolarHBondContact O-N 2.96Å; I474-N476 VanDerWaalsContact O-N 3.11Å
477	Y	89.9	Confident	88.4	Confident	12 Å²	12	32.6 Å²	32.6	5%	0.047	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.3	170.4	175	-105.1	0	0	0	110.7	Y438 T440 I474 A479 L537 N539 G540	Y438-Y477 VanDerWaalsContact O-CE2 3.3Å; Y438-Y477 WeakPolarHBondContact O-CE2 3.34Å; T440-Y477 HydrophobicContact CG2-CD2 3.53Å; T440-Y477 HydrophobicContact CG2-CE2 3.76Å; T440-Y477 HydrophobicContact CG2-CG 4.39Å; I474-Y477 PolarHBondContact N-O 3.36Å; I474-Y477 WeakPolarHBondContact O-CB 3.38Å; I474-Y477 PolarHBondContact O-N 2.96Å; Y477-A479 HydrophobicContact CD1-CB 4.39Å; Y477-A479 HydrophobicContact CE1-CB 3.92Å; Y477-L537 WeakPolarHBondContact CE1-O 3.24Å; Y477-L537 VanDerWaalsContact CZ-O 3.3Å; Y477-L537 PolarHBondContact OH-O 3.49Å; Y477-N539 PolarHBondContact OH-N 3.29Å; Y477-G540 PolarHBondContact OH-N 3.24Å; Y477-G540 VanDerWaalsContact OH-N 3.12Å
478	C	92	Very high	87.6	Confident	36 Å²	36	31.9 Å²	31.9	24%	0.243	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.3	176	-55.8	0	0	0	0	110.1	Y438 V471 Y472 H473	Y438-C478 HydrophobicContact CD2-CB 3.83Å; Y438-C478 VanDerWaalsContact CD2-O 3.22Å; Y438-C478 WeakPolarHBondContact CD2-O 3.26Å; Y438-C478 HydrophobicContact CE2-CB 3.85Å; Y438-C478 HydrophobicContact CG-CB 4.27Å; V471-C478 HydrophobicContact CG1-CB 4.14Å; Y472-C478 CarbonylContact O-C 3.6Å; Y472-C478 VanDerWaalsContact O-CA 3.31Å; Y472-C478 WeakPolarHBondContact O-CA 3.39Å; H473-C478 PolarHBondContact CD2-SG 3.22Å
479	A	92.9	Very high	86.5	Confident	4 Å²	4	31 Å²	31	3%	0.033	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	110	180	0	0	0	0	0	111.2	V471 Y472 Y477 A535	V471-A479 WeakPolarHBondContact CA-O 3.3Å; Y472-A479 PolarHBondContact N-O 3.09Å; Y472-A479 PolarHBondContact O-N 2.84Å; Y477-A479 HydrophobicContact CD1-CB 4.39Å; Y477-A479 HydrophobicContact CE1-CB 3.92Å; A479-A535 WeakPolarHBondContact CB-O 3.04Å
480	V	94.2	Very high	85	Confident	12 Å²	12	33.5 Å²	33.5	7%	0.073	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	131.3	175.6	-164.6	0	0	0	0	109.9	L437 Y438 F470 V471 F604 F607	L437-V480 HydrophobicContact CD2-CG2 3.85Å; Y438-V480 HydrophobicContact CE2-CG2 3.87Å; F470-V480 WeakPolarHBondContact O-CA 3.49Å; V471-V480 HydrophobicContact CG2-CG1 4.4Å; V471-V480 HydrophobicContact CG2-CG2 4.28Å; V480-F604 HydrophobicContact CG1-CB 4.43Å; V480-F607 HydrophobicContact CB-CE2 4.21Å; V480-F607 HydrophobicContact CG1-CD2 3.72Å; V480-F607 HydrophobicContact CG1-CE2 3.77Å
481	V	94.5	Very high	83.3	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.2	-178.9	-76.1	0	0	0	0	111	R462 P469 F470 Y472 A535	R462-V481 VanDerWaalsContact NH2-CB 3.32Å; R462-V481 VanDerWaalsContact NH2-CG2 3.28Å; P469-V481 CarbonylContact C-O 3.56Å; P469-V481 WeakPolarHBondContact CA-O 3.43Å; F470-V481 HydrophobicContact CB-CG2 4.05Å; F470-V481 PolarHBondContact N-O 2.6Å; F470-V481 WeakPolarHBondContact O-CG2 3.44Å; F470-V481 PolarHBondContact O-N 2.84Å; Y472-V481 HydrophobicContact CD2-CG1 4.46Å; Y472-V481 HydrophobicContact CD2-CG2 3.71Å; Y472-V481 HydrophobicContact CE2-CG2 3.75Å; V481-A535 HydrophobicContact CG1-CB 3.23Å
482	G	91.4	Very high	81.5	Confident	5 Å²	5	38.1 Å²	38.1	5%	0.052	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-68.8	168.5	-177.1	0	0	0	0	0	114.9	R462 F607	R462-G482 PolarHBondContact NH1-O 2.81Å; R462-G482 PolarHBondContact NH2-O 3.05Å; G482-F607 VanDerWaalsContact CA-CG 3.47Å
483	P	90.9	Very high	79.5	Confident	7 Å²	7	40.2 Å²	40.2	5%	0.045	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-50.7	156.6	170.5	-29.6	36.5	0	0	0	113.6	W467 S468 P469 R531 H611	W467-P483 WeakPolarHBondContact O-CB 3.08Å; W467-P483 WeakPolarHBondContact O-CG 3.32Å; S468-P483 WeakPolarHBondContact O-CA 3.44Å; P469-P483 HydrophobicContact CG-CG 4.26Å; P483-R531 PolarHBondContact O-NH1 2.76Å; P483-R531 VanDerWaalsContact O-NH1 3.14Å; P483-H611 HydrophobicContact CB-CB 4.16Å; P483-H611 HydrophobicContact CG-CB 3.66Å
484	L	88.1	Confident	77.4	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.01	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-64	148	172.9	-57.3	177.1	0	0	0	110.1	F463 P466 S486 A487 F523 E528 R614	F463-L484 HydrophobicContact CD1-CD1 3.58Å; F463-L484 HydrophobicContact CD1-CD2 4.29Å; F463-L484 HydrophobicContact CE1-CD1 3.7Å; F463-L484 HydrophobicContact CE1-CD2 3.65Å; F463-L484 HydrophobicContact CE1-CG 4.34Å; F463-L484 HydrophobicContact CZ-CD2 4.38Å; P466-L484 HydrophobicContact CB-CB 4.46Å; P466-L484 HydrophobicContact CB-CD1 3.48Å; P466-L484 VanDerWaalsContact CB-CD1 3.48Å; P466-L484 HydrophobicContact CB-CG 4.15Å; P466-L484 PolarHBondContact O-N 2.81Å; L484-S486 VanDerWaalsContact C-N 3.29Å; L484-S486 PolarHBondContact O-N 3.1Å; L484-A487 HydrophobicContact CB-CB 4.32Å; L484-A487 PolarHBondContact O-N 3.31Å; L484-F523 HydrophobicContact CD1-CB 3.42Å; L484-F523 VanDerWaalsContact CD1-CB 3.42Å; L484-F523 HydrophobicContact CD1-CG 4.39Å; L484-E528 WeakPolarHBondContact CA-OE1 3.32Å; L484-E528 WeakPolarHBondContact CB-OE1 3.46Å; L484-E528 HydrophobicContact CD2-CB 3.76Å; L484-E528 HydrophobicContact CD2-CG 3.81Å; L484-R614 PolarHBondContact O-NH2 2.85Å
485	R	72.5	Confident	75.3	Confident	74 Å²	74	44.2 Å²	44.2	28%	0.279	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-32.3	-176.7	-68.2	-156.8	-175.2	-91.7	1	112.3	E528 E580 D583 R614	R485-E528 PolarHBondContact N-OE1 3.04Å; R485-E580 WeakPolarHBondContact CD-OE1 3.44Å; R485-E580 IonicContact CZ-OE1 3.43Å; R485-E580 IonicContact CZ-OE2 3.69Å; R485-E580 IonicContact NE-OE1 2.72Å; R485-E580 PolarHBondContact NE-OE1 3.22Å; R485-E580 IonicContact NE-OE2 3.18Å; R485-E580 IonicContact NH2-OE1 2.8Å; R485-E580 PolarHBondContact NH2-OE1 3.06Å; R485-E580 IonicContact NH2-OE2 2.9Å; R485-E580 PolarHBondContact NH2-OE2 3.4Å; R485-D583 PolarHBondContact NH2-O 3.28Å; R485-R614 PolarHBondContact O-NH2 3.11Å; R485-R614 VanDerWaalsContact O-NH2 3.16Å
486	S	68.4	Low	73.5	Confident	94 Å²	94	44.5 Å²	44.5	66%	0.657	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.3	179	-58.9	0	0	0	0	115	L484	L484-S486 VanDerWaalsContact C-N 3.29Å; L484-S486 PolarHBondContact O-N 3.1Å
487	A	73.1	Confident	71.8	Confident	8 Å²	8	41.7 Å²	41.7	7%	0.066	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-70	139.4	-176.3	0	0	0	0	0	112.3	P466 W467 L484	P466-A487 VanDerWaalsContact C-CB 3.47Å; P466-A487 HydrophobicContact CB-CB 4.15Å; P466-A487 WeakPolarHBondContact O-CB 3.49Å; W467-A487 HydrophobicContact CB-CB 4.25Å; L484-A487 HydrophobicContact CB-CB 4.32Å; L484-A487 PolarHBondContact O-N 3.31Å
488	P	69.9	Low	69.5	Low	35 Å²	35	50.1 Å²	50.1	23%	0.227	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-68.8	165.9	167	32.5	-35.1	0	0	0	110.8	W467 H611	W467-P488 VanDerWaalsContact CB-O 3.3Å; W467-P488 WeakPolarHBondContact CB-O 3.21Å; P488-H611 PolarHBondContact O-NE2 2.75Å
489	S	66.7	Low	66.9	Low	15 Å²	15	52.4 Å²	52.4	11%	0.105	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-65.2	148.6	171.4	169.5	0	0	0	0	110.4	L491 S492 H493	S489-L491 PolarHBondContact O-N 3.33Å; S489-L491 PolarHBondContact OG-N 3.12Å; S489-S492 PolarHBondContact N-OG 2.82Å; S489-S492 CarbonylContact O-C 3.55Å; S489-S492 WeakPolarHBondContact O-CA 3.44Å; S489-S492 PolarHBondContact O-N 3.33Å; S489-S492 PolarHBondContact O-OG 3.32Å; S489-H493 PolarHBondContact O-N 3.48Å
490	P	62	Low	64	Low	59 Å²	59	54.3 Å²	54.3	38%	0.383	29%	0.293	S	S	.	.	H	α-helix	trans	-52.3	-40.1	170.6	-24.9	33.1	0	0	0	112.7	W467 S492 H493	W467-P490 HydrophobicContact CB-CG 4.21Å; W467-P490 HydrophobicContact CG-CG 4.16Å; P490-S492 PolarHBondContact O-N 3.1Å; P490-H493 VanDerWaalsContact O-CB 3.25Å; P490-H493 WeakPolarHBondContact O-CB 3.37Å; P490-H493 PolarHBondContact O-N 2.88Å
491	L	58.8	Low	60.9	Low	120 Å²	120	57.7 Å²	57.7	63%	0.628	33%	0.331	S	S	*	.	H	α-helix	trans	-66.5	-24.7	177.9	-61.3	177.4	0	0	0	113.2	S489	S489-L491 PolarHBondContact O-N 3.33Å; S489-L491 PolarHBondContact OG-N 3.12Å
492	S	57.4	Low	58.2	Low	38 Å²	38	63 Å²	63	27%	0.266	35%	0.351	S	S	.	.	H	α-helix	trans	-90.8	-8.6	171.2	57	0	0	0	0	113.7	S489 P490 V496	S489-S492 PolarHBondContact N-OG 2.82Å; S489-S492 CarbonylContact O-C 3.55Å; S489-S492 WeakPolarHBondContact O-CA 3.44Å; S489-S492 PolarHBondContact O-N 3.33Å; S489-S492 PolarHBondContact O-OG 3.32Å; P490-S492 PolarHBondContact O-N 3.1Å; S492-V496 VanDerWaalsContact O-CB 3.3Å; S492-V496 WeakPolarHBondContact O-CB 3.36Å; S492-V496 WeakPolarHBondContact O-CG2 3.36Å; S492-V496 PolarHBondContact O-N 2.94Å
493	H	53.9	Low	55.4	Low	46 Å²	46	68.5 Å²	68.5	21%	0.213	38%	0.379	C	S	.	.	H	α-helix	trans	-65.8	-53.4	174.2	-174.2	-117.9	0	0	0	111	W467 S489 P490 L495 V496 L497	W467-H493 AromaticContact CE3-CD2 3.99Å; W467-H493 AromaticContact CH2-CD2 3.73Å; W467-H493 AromaticContact CH2-CE1 3.38Å; W467-H493 WeakPolarHBondContact CH2-CE1 3.43Å; W467-H493 AromaticContact CH2-ND1 3.82Å; W467-H493 AromaticContact CH2-NE2 3.33Å; W467-H493 VanDerWaalsContact CH2-NE2 3.33Å; W467-H493 WeakPolarHBondContact CH2-NE2 3.47Å; W467-H493 AromaticContact CZ2-CE1 3.96Å; W467-H493 AromaticContact CZ3-CD2 3.37Å; W467-H493 WeakPolarHBondContact CZ3-CD2 3.48Å; W467-H493 AromaticContact CZ3-CE1 3.88Å; W467-H493 AromaticContact CZ3-CG 3.89Å; W467-H493 AromaticContact CZ3-NE2 3.39Å; W467-H493 WeakPolarHBondContact CZ3-NE2 3.23Å; S489-H493 PolarHBondContact O-N 3.48Å; P490-H493 VanDerWaalsContact O-CB 3.25Å; P490-H493 WeakPolarHBondContact O-CB 3.37Å; P490-H493 PolarHBondContact O-N 2.88Å; H493-L495 VanDerWaalsContact C-N 3.33Å; H493-L495 PolarHBondContact O-N 2.75Å; H493-V496 PolarHBondContact O-N 3.48Å; H493-V496 VanDerWaalsContact O-N 3.09Å; H493-L497 WeakPolarHBondContact CE1-CD1 3.31Å; H493-L497 PolarHBondContact O-N 3.19Å
494	D	49.2	Very low	53.2	Low	95 Å²	95	72.9 Å²	72.9	51%	0.508	39%	0.394	S	S	.	.	H	α-helix	trans	-62.4	-39.8	176.3	-68.5	-22.3	0	0	0	112	V496 L497 Y498	D494-V496 VanDerWaalsContact C-N 3.26Å; D494-V496 PolarHBondContact O-N 3.12Å; D494-L497 PolarHBondContact O-N 3.48Å; D494-Y498 HydrophobicContact CB-CD2 4.31Å; D494-Y498 WeakPolarHBondContact O-CB 3.35Å; D494-Y498 WeakPolarHBondContact O-CD2 3.38Å; D494-Y498 PolarHBondContact O-N 2.74Å
495	L	47.4	Very low	50.9	Low	88 Å²	88	76.3 Å²	76.3	46%	0.461	42%	0.419	S	S	.	.	H	α-helix	trans	-62	-34.7	175	-75.6	171.6	0	0	0	112.4	H493 N499 R697	H493-L495 VanDerWaalsContact C-N 3.33Å; H493-L495 PolarHBondContact O-N 2.75Å; L495-N499 WeakPolarHBondContact O-CA 3.36Å; L495-N499 VanDerWaalsContact O-CB 3.26Å; L495-N499 WeakPolarHBondContact O-CB 3.37Å; L495-N499 PolarHBondContact O-N 2.97Å; L495-R697 VanDerWaalsContact CD2-NH2 3.29Å
496	V	47.2	Very low	49.2	Very low	31 Å²	31	77.8 Å²	77.8	19%	0.188	44%	0.441	C	S	.	.	H	α-helix	trans	-79.6	-38	178.1	172.3	0	0	0	0	111.6	S492 H493 D494 S500 W504	S492-V496 VanDerWaalsContact O-CB 3.3Å; S492-V496 WeakPolarHBondContact O-CB 3.36Å; S492-V496 WeakPolarHBondContact O-CG2 3.36Å; S492-V496 PolarHBondContact O-N 2.94Å; H493-V496 PolarHBondContact O-N 3.48Å; H493-V496 VanDerWaalsContact O-N 3.09Å; D494-V496 VanDerWaalsContact C-N 3.26Å; D494-V496 PolarHBondContact O-N 3.12Å; V496-S500 VanDerWaalsContact O-CB 3.32Å; V496-S500 WeakPolarHBondContact O-CB 3.44Å; V496-S500 PolarHBondContact O-N 3.46Å; V496-W504 HydrophobicContact CG1-CZ2 4.27Å
497	L	47.3	Very low	48	Very low	95 Å²	95	81.6 Å²	81.6	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-68	-38.2	174.6	-71.8	-178	0	0	0	113.4	H493 D494	H493-L497 WeakPolarHBondContact CE1-CD1 3.31Å; H493-L497 PolarHBondContact O-N 3.19Å; D494-L497 PolarHBondContact O-N 3.48Å
498	Y	41.4	Very low	47.2	Very low	188 Å²	188	84 Å²	84	74%	0.737	46%	0.464	S	S	*	.	H	α-helix	trans	-99.8	-14.5	-174.6	-71.3	-73.8	0	0	0	115.2	D494	D494-Y498 HydrophobicContact CB-CD2 4.31Å; D494-Y498 WeakPolarHBondContact O-CB 3.35Å; D494-Y498 WeakPolarHBondContact O-CD2 3.38Å; D494-Y498 PolarHBondContact O-N 2.74Å
499	N	37.5	Very low	46.8	Very low	85 Å²	85	91 Å²	91	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-134.1	-1.5	-175.5	-54.9	-94.2	0	0	0	115.4	L495 R697	L495-N499 WeakPolarHBondContact O-CA 3.36Å; L495-N499 VanDerWaalsContact O-CB 3.26Å; L495-N499 WeakPolarHBondContact O-CB 3.37Å; L495-N499 PolarHBondContact O-N 2.97Å; N499-R697 VanDerWaalsContact CG-NH2 3.27Å; N499-R697 PolarHBondContact ND2-NH2 3.44Å; N499-R697 PolarHBondContact OD1-NH1 3.11Å; N499-R697 PolarHBondContact OD1-NH2 2.95Å
500	S	33.1	Very low	47.2	Very low	43 Å²	43	90.6 Å²	90.6	30%	0.301	49%	0.488	S	S	.	.			trans	-104.6	125.7	167.5	-57.2	0	0	0	0	109.1	V496 R502	V496-S500 VanDerWaalsContact O-CB 3.32Å; V496-S500 WeakPolarHBondContact O-CB 3.44Å; V496-S500 PolarHBondContact O-N 3.46Å; S500-R502 PolarHBondContact O-N 2.81Å
501	G	29.2	Very low	48	Very low	84 Å²	84	97.5 Å²	97.5	87%	0.866	51%	0.506	S	S	*	.	S	Bend	trans	-60.8	-6.7	165.7	0	0	0	0	0	113.3	N503	G501-N503 PolarHBondContact O-N 3.24Å
502	R	36.4	Very low	49.2	Very low	112 Å²	112	97.7 Å²	97.7	42%	0.423	51%	0.508	S	S	.	.			trans	-70	72.7	163.5	-59.3	-165.6	-133.1	163.3	0.8	111.5	S500 W504 D704	S500-R502 PolarHBondContact O-N 2.81Å; R502-W504 PolarHBondContact O-N 3.36Å; R502-D704 IonicContact CZ-OD1 3.83Å; R502-D704 IonicContact CZ-OD2 3.76Å; R502-D704 IonicContact NE-OD2 2.62Å; R502-D704 PolarHBondContact NE-OD2 2.86Å; R502-D704 IonicContact NH2-OD1 3.85Å; R502-D704 PolarHBondContact NH2-OD1 2.95Å; R502-D704 IonicContact NH2-OD2 3.44Å; R502-D704 PolarHBondContact NH2-OD2 3.24Å
503	N	32.5	Very low	50.7	Low	120 Å²	120	98.5 Å²	98.5	64%	0.642	51%	0.508	S	S	*	.			trans	-41.7	107.7	138.5	-76.1	-13.2	0	0	0	108.8	G501 S505	G501-N503 PolarHBondContact O-N 3.24Å; N503-S505 WeakPolarHBondContact CB-OG 3.18Å; N503-S505 PolarHBondContact O-N 3.25Å
504	W	46.1	Very low	52.5	Low	98 Å²	98	100.5 Å²	100.5	37%	0.371	53%	0.525	S	S	.	.	S	Bend	trans	-62.7	-22	166.5	-64.1	101	0	0	0	110.8	V496 R502 S506 M522	V496-W504 HydrophobicContact CG1-CZ2 4.27Å; R502-W504 PolarHBondContact O-N 3.36Å; W504-S506 PolarHBondContact O-N 2.89Å; W504-M522 HydrophobicContact CD2-SD 4.47Å; W504-M522 HydrophobicContact CE3-CE 4.32Å; W504-M522 HydrophobicContact CE3-SD 3.47Å; W504-M522 HydrophobicContact CZ3-CE 3.88Å; W504-M522 HydrophobicContact CZ3-SD 3.62Å
505	S	38.5	Very low	54.6	Low	75 Å²	75	96 Å²	96	52%	0.524	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	125.9	167.3	25.2	0	0	0	0	112.3	N503	N503-S505 WeakPolarHBondContact CB-OG 3.18Å; N503-S505 PolarHBondContact O-N 3.25Å
506	S	37.8	Very low	56.9	Low	105 Å²	105	92 Å²	92	73%	0.734	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	-24.5	165.5	-54.1	0	0	0	0	120.1	W504	W504-S506 PolarHBondContact O-N 2.89Å
507	H	43.5	Very low	59	Low	174 Å²	174	95 Å²	95	81%	0.806	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-27.8	-177.8	-68.4	-70	0	0	0	116.6	K509	H507-K509 PolarHBondContact O-N 3.47Å
508	S	56.4	Low	60.9	Low	58 Å²	58	96.2 Å²	96.2	41%	0.406	49%	0.494	S	S	.	.			trans	-85.2	70.7	178	-60.9	0	0	0	0	112.5
509	K	61.4	Low	63.2	Low	182 Å²	182	92.4 Å²	92.4	79%	0.791	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-61.9	148.7	176.3	-67.1	-175.9	179.4	179.5	0	111.9	H507	H507-K509 PolarHBondContact O-N 3.47Å
510	A	74.9	Confident	65.7	Low	6 Å²	6	89.1 Å²	89.1	5%	0.05	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-61.7	137.8	169.2	0	0	0	0	0	110.1	D512 R520	A510-D512 PolarHBondContact O-N 3.23Å; A510-R520 HydrophobicContact CB-CG 3.97Å
511	R	78.3	Confident	68.2	Low	204 Å²	204	89.7 Å²	89.7	77%	0.77	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-58.4	133.6	177.3	-179.1	175.6	178.6	148.7	3.8	110.5	R520	R511-R520 PolarHBondContact O-NH2 3.17Å
512	D	83.5	Confident	70.8	Confident	125 Å²	125	89.2 Å²	89.2	67%	0.668	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-56.8	139.5	178.9	-65.9	-16.3	0	0	0	112	A510 L518	A510-D512 PolarHBondContact O-N 3.23Å; D512-L518 WeakPolarHBondContact OD1-CD2 3.48Å
513	H	90	Very high	73.1	Confident	55 Å²	55	85.9 Å²	85.9	26%	0.255	44%	0.435	S	S	.	.			trans	-154.2	126.8	-179.4	-178.5	-89.5	0	0	0	109.7	L515 L516	H513-L515 PolarHBondContact ND1-N 3.21Å; H513-L515 PolarHBondContact O-N 3.03Å; H513-L516 HydrophobicContact CB-CB 4.29Å; H513-L516 HydrophobicContact CB-CD1 4.09Å; H513-L516 HydrophobicContact CB-CG 4.43Å; H513-L516 PolarHBondContact O-N 3.17Å
514	P	90.9	Very high	75.9	Confident	88 Å²	88	80.2 Å²	80.2	57%	0.571	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.5	-164	27	-37	0	0	0	115.6	L558	P514-L558 WeakPolarHBondContact O-CD1 3.43Å
515	L	94.1	Very high	78.1	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.005	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-7.5	177.3	-54.7	-171.6	0	0	0	114.1	H513 L557 L558 V561 Q565 L566 C569	H513-L515 PolarHBondContact ND1-N 3.21Å; H513-L515 PolarHBondContact O-N 3.03Å; L515-L557 HydrophobicContact CB-CD2 4.31Å; L515-L557 WeakPolarHBondContact O-CA 3.37Å; L515-L557 WeakPolarHBondContact O-CD2 3.34Å; L515-L558 PolarHBondContact O-N 3.38Å; L515-V561 HydrophobicContact CB-CG2 4.23Å; L515-V561 HydrophobicContact CD1-CG1 4.48Å; L515-V561 HydrophobicContact CD2-CG1 3.99Å; L515-V561 HydrophobicContact CD2-CG2 4.18Å; L515-Q565 HydrophobicContact CD2-CB 4.38Å; L515-Q565 HydrophobicContact CD2-CG 3.92Å; L515-L566 HydrophobicContact CD1-CB 4.38Å; L515-L566 HydrophobicContact CD1-CD1 3.85Å; L515-C569 HydrophobicContact CD1-CB 3.67Å
516	L	94.7	Very high	80.8	Confident	3 Å²	3	74.6 Å²	74.6	2%	0.016	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-114.6	149.3	-172.1	-65.3	171.7	0	0	0	111.1	H513 L526 I529 F556 L557	H513-L516 HydrophobicContact CB-CB 4.29Å; H513-L516 HydrophobicContact CB-CD1 4.09Å; H513-L516 HydrophobicContact CB-CG 4.43Å; H513-L516 PolarHBondContact O-N 3.17Å; L516-L526 HydrophobicContact CD1-CB 4.27Å; L516-I529 HydrophobicContact CD2-CD1 3.63Å; L516-F556 VanDerWaalsContact CA-O 3.31Å; L516-F556 WeakPolarHBondContact CA-O 3.45Å; L516-F556 HydrophobicContact CD2-CB 4.43Å; L516-F556 WeakPolarHBondContact CD2-O 3.35Å; L516-L557 HydrophobicContact CD2-CD2 4.12Å
517	R	92.2	Very high	83.5	Confident	93 Å²	93	70.9 Å²	70.9	35%	0.351	36%	0.355	S	S	.	.			trans	-65	152.6	175.1	-51.5	171	61.1	113.8	0.8	111.6	D519 R520 G555 F556 L557 L558	R517-D519 WeakPolarHBondContact CB-OD1 3.26Å; R517-D519 IonicContact CZ-OD1 3.32Å; R517-D519 IonicContact CZ-OD2 3.55Å; R517-D519 IonicContact NE-OD1 2.81Å; R517-D519 PolarHBondContact NE-OD1 3.49Å; R517-D519 IonicContact NE-OD2 2.67Å; R517-D519 PolarHBondContact NE-OD2 3.02Å; R517-D519 IonicContact NH2-OD1 3.43Å; R517-D519 IonicContact NH2-OD2 2.71Å; R517-D519 PolarHBondContact NH2-OD2 3.29Å; R517-R520 VanDerWaalsContact O-CD 3.24Å; R517-R520 WeakPolarHBondContact O-CD 3.48Å; R517-R520 WeakPolarHBondContact O-CG 3.35Å; R517-R520 PolarHBondContact O-NH1 2.93Å; R517-G555 VanDerWaalsContact CD-O 3.23Å; R517-G555 WeakPolarHBondContact CD-O 3.42Å; R517-F556 PolarHBondContact N-O 2.96Å; R517-L557 WeakPolarHBondContact CG-O 3.25Å; R517-L558 HydrophobicContact CB-CD2 4.43Å; R517-L558 HydrophobicContact CG-CD2 4.16Å
518	L	87.8	Confident	85.9	Confident	121 Å²	121	63.2 Å²	63.2	63%	0.634	32%	0.32	S	S	*	.	S	Bend	trans	-86.5	-14.3	179.2	-59	-178.6	0	0	0	113.7	D512	D512-L518 WeakPolarHBondContact OD1-CD2 3.48Å
519	D	88.5	Confident	87.8	Confident	108 Å²	108	60.7 Å²	60.7	58%	0.578	30%	0.302	S	S	*	.	S	Bend	trans	-90.2	-2.6	-180	57.8	-3.3	0	0	0	113.9	R517	R517-D519 WeakPolarHBondContact CB-OD1 3.26Å; R517-D519 IonicContact CZ-OD1 3.32Å; R517-D519 IonicContact CZ-OD2 3.55Å; R517-D519 IonicContact NE-OD1 2.81Å; R517-D519 PolarHBondContact NE-OD1 3.49Å; R517-D519 IonicContact NE-OD2 2.67Å; R517-D519 PolarHBondContact NE-OD2 3.02Å; R517-D519 IonicContact NH2-OD1 3.43Å; R517-D519 IonicContact NH2-OD2 2.71Å; R517-D519 PolarHBondContact NH2-OD2 3.29Å
520	R	89.9	Confident	89.5	Confident	16 Å²	16	52 Å²	52	6%	0.06	26%	0.264	C	S	.	.	S	Bend	trans	-68.6	151.6	-179.7	74.3	-171.5	-162.7	-78.7	-6.9	112.9	A510 R511 R517 V524 F556	A510-R520 HydrophobicContact CB-CG 3.97Å; R511-R520 PolarHBondContact O-NH2 3.17Å; R517-R520 VanDerWaalsContact O-CD 3.24Å; R517-R520 WeakPolarHBondContact O-CD 3.48Å; R517-R520 WeakPolarHBondContact O-CG 3.35Å; R517-R520 PolarHBondContact O-NH1 2.93Å; R520-V524 HydrophobicContact CB-CB 4.21Å; R520-V524 HydrophobicContact CB-CG1 4.47Å; R520-V524 HydrophobicContact CB-CG2 4.35Å; R520-V524 HydrophobicContact CG-CB 4.01Å; R520-V524 HydrophobicContact CG-CG1 4.38Å; R520-V524 PolarHBondContact NE-O 2.76Å; R520-V524 PolarHBondContact NH2-O 2.67Å; R520-F556 HydrophobicContact CB-CD1 3.41Å; R520-F556 VanDerWaalsContact CB-CD1 3.41Å; R520-F556 HydrophobicContact CB-CE1 3.87Å; R520-F556 HydrophobicContact CB-CG 4.23Å
521	P	86.4	Confident	90.5	Very high	55 Å²	55	52.1 Å²	52.1	36%	0.357	26%	0.263	S	S	.	.			trans	-54.5	145.4	171.4	-25	32.7	0	0	0	113.1	F523 V524	P521-F523 PolarHBondContact O-N 3.02Å; P521-V524 HydrophobicContact CB-CG2 4.15Å; P521-V524 HydrophobicContact CG-CG2 4.28Å; P521-V524 WeakPolarHBondContact O-CB 3.46Å; P521-V524 PolarHBondContact O-N 3.48Å
522	M	83.4	Confident	91.4	Very high	74 Å²	74	42.6 Å²	42.6	37%	0.365	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.9	-173	69.7	175.2	-68.2	0	0	115.2	W504	W504-M522 HydrophobicContact CD2-SD 4.47Å; W504-M522 HydrophobicContact CE3-CE 4.32Å; W504-M522 HydrophobicContact CE3-SD 3.47Å; W504-M522 HydrophobicContact CZ3-CE 3.88Å; W504-M522 HydrophobicContact CZ3-SD 3.62Å
523	F	85.1	Confident	92	Very high	42 Å²	42	36.7 Å²	36.7	18%	0.184	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-12.9	177.8	-47.2	-74.1	0	0	0	113.2	P466 L484 P521 S525	P466-F523 HydrophobicContact CB-CB 4.37Å; P466-F523 HydrophobicContact CB-CD2 3.97Å; P466-F523 HydrophobicContact CB-CG 4.14Å; P466-F523 HydrophobicContact CG-CD2 3.82Å; P466-F523 HydrophobicContact CG-CE2 3.94Å; P466-F523 HydrophobicContact CG-CG 4.42Å; L484-F523 HydrophobicContact CD1-CB 3.42Å; L484-F523 VanDerWaalsContact CD1-CB 3.42Å; L484-F523 HydrophobicContact CD1-CG 4.39Å; P521-F523 PolarHBondContact O-N 3.02Å; F523-S525 PolarHBondContact O-N 3.39Å
524	V	90.7	Very high	92.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.184	C	C	.	.			trans	-73.8	115.3	176.1	-176.8	0	0	0	0	110	F463 R520 P521 I529 F556	F463-V524 HydrophobicContact CB-CG2 4.04Å; F463-V524 HydrophobicContact CD1-CB 4.39Å; F463-V524 HydrophobicContact CD1-CG2 3.51Å; F463-V524 HydrophobicContact CD2-CG2 4.17Å; F463-V524 HydrophobicContact CE1-CB 4.37Å; F463-V524 HydrophobicContact CE1-CG2 3.94Å; F463-V524 HydrophobicContact CG-CG2 3.66Å; F463-V524 HydrophobicContact CZ-CG2 4.44Å; R520-V524 HydrophobicContact CB-CB 4.21Å; R520-V524 HydrophobicContact CB-CG1 4.47Å; R520-V524 HydrophobicContact CB-CG2 4.35Å; R520-V524 HydrophobicContact CG-CB 4.01Å; R520-V524 HydrophobicContact CG-CG1 4.38Å; R520-V524 PolarHBondContact NE-O 2.76Å; R520-V524 PolarHBondContact NH2-O 2.67Å; P521-V524 HydrophobicContact CB-CG2 4.15Å; P521-V524 HydrophobicContact CG-CG2 4.28Å; P521-V524 WeakPolarHBondContact O-CB 3.46Å; P521-V524 PolarHBondContact O-N 3.48Å; V524-I529 HydrophobicContact CG1-CD1 3.76Å; V524-I529 HydrophobicContact CG1-CG1 4.19Å; V524-F556 HydrophobicContact CG1-CB 3.82Å; V524-F556 HydrophobicContact CG1-CD1 4.44Å; V524-F556 HydrophobicContact CG1-CD2 3.84Å; V524-F556 HydrophobicContact CG1-CG 3.77Å; V524-F556 HydrophobicContact CG2-CD1 4.43Å; V524-F556 HydrophobicContact CG2-CD2 4.08Å; V524-F556 HydrophobicContact CG2-CE1 4.34Å; V524-F556 HydrophobicContact CG2-CE2 3.98Å; V524-F556 HydrophobicContact CG2-CG 4.31Å; V524-F556 HydrophobicContact CG2-CZ 4.11Å
525	S	92.6	Very high	92.6	Very high	47 Å²	47	30 Å²	30	33%	0.329	16%	0.158	S	C	.	.			trans	-134.3	156.7	170.5	75.7	0	0	0	0	110.3	F523 A527 E528 I529	F523-S525 PolarHBondContact O-N 3.39Å; S525-A527 PolarHBondContact O-N 3.05Å; S525-A527 VanDerWaalsContact O-N 3.16Å; S525-E528 PolarHBondContact O-N 3.12Å; S525-I529 PolarHBondContact O-N 3.28Å; S525-I529 VanDerWaalsContact O-N 3.1Å
526	L	94.8	Very high	92.6	Very high	9 Å²	9	30 Å²	30	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-60.2	-29	-179.6	-172.8	67.4	0	0	0	112	L516 V530 V551 C569	L516-L526 HydrophobicContact CD1-CB 4.27Å; L526-V530 HydrophobicContact CD1-CG2 4.23Å; L526-V530 HydrophobicContact CG-CG2 4.1Å; L526-V530 WeakPolarHBondContact O-CB 3.37Å; L526-V530 WeakPolarHBondContact O-CG2 3.36Å; L526-V530 PolarHBondContact O-N 2.98Å; L526-V551 HydrophobicContact CD1-CG1 4.11Å; L526-C569 HydrophobicContact CD2-CB 3.42Å; L526-C569 VanDerWaalsContact CD2-CB 3.42Å
527	A	94.2	Very high	92.7	Very high	26 Å²	26	29.8 Å²	29.8	22%	0.215	16%	0.157	C	C	.	.	H	α-helix	trans	-64.6	-43	174.9	0	0	0	0	0	112.2	S525 V530 R531 L577	S525-A527 PolarHBondContact O-N 3.05Å; S525-A527 VanDerWaalsContact O-N 3.16Å; A527-V530 PolarHBondContact O-N 3.29Å; A527-R531 VanDerWaalsContact O-CB 3.25Å; A527-R531 WeakPolarHBondContact O-CB 3.44Å; A527-R531 PolarHBondContact O-N 3.5Å; A527-L577 HydrophobicContact CB-CD2 4.38Å; A527-L577 WeakPolarHBondContact O-CD1 3.45Å
528	E	94.5	Very high	92.7	Very high	13 Å²	13	26.3 Å²	26.3	6%	0.061	15%	0.146	C	C	.	.	H	α-helix	trans	-72.7	-37.5	179.8	-59.1	-77.7	-139.3	0	0	111.3	F463 L484 R485 S525 R531 D532	F463-E528 HydrophobicContact CE1-CB 4.31Å; F463-E528 HydrophobicContact CZ-CB 4.32Å; L484-E528 WeakPolarHBondContact CA-OE1 3.32Å; L484-E528 WeakPolarHBondContact CB-OE1 3.46Å; L484-E528 HydrophobicContact CD2-CB 3.76Å; L484-E528 HydrophobicContact CD2-CG 3.81Å; R485-E528 PolarHBondContact N-OE1 3.04Å; S525-E528 PolarHBondContact O-N 3.12Å; E528-R531 PolarHBondContact O-N 2.89Å; E528-R531 IonicContact OE1-NH1 3.38Å; E528-R531 IonicContact OE2-CZ 2.66Å; E528-R531 IonicContact OE2-NE 3.39Å; E528-R531 PolarHBondContact OE2-NE 3.29Å; E528-R531 IonicContact OE2-NH1 3.41Å; E528-R531 PolarHBondContact OE2-NH1 2.86Å; E528-R531 IonicContact OE2-NH2 3.5Å; E528-D532 WeakPolarHBondContact O-CB 3.47Å; E528-D532 VanDerWaalsContact O-CG 3.31Å; E528-D532 PolarHBondContact O-N 2.99Å
529	I	96.2	Very high	93	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-61.9	-45.7	172	-61.5	165.5	0	0	0	110.8	F463 L516 V524 S525 D532 A533 V551 F556	F463-I529 HydrophobicContact CE2-CG1 4.46Å; F463-I529 HydrophobicContact CZ-CG1 4.27Å; L516-I529 HydrophobicContact CD2-CD1 3.63Å; V524-I529 HydrophobicContact CG1-CD1 3.76Å; V524-I529 HydrophobicContact CG1-CG1 4.19Å; S525-I529 PolarHBondContact O-N 3.28Å; S525-I529 VanDerWaalsContact O-N 3.1Å; I529-D532 PolarHBondContact O-N 3.18Å; I529-A533 WeakPolarHBondContact O-CB 3.43Å; I529-A533 PolarHBondContact O-N 3.24Å; I529-V551 HydrophobicContact CG2-CG1 4.3Å; I529-V551 HydrophobicContact CG2-CG2 4.46Å; I529-F556 HydrophobicContact CD1-CB 4.14Å
530	V	97.3	Very high	93.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.8	-43.8	178.2	164.8	0	0	0	0	111.2	L526 A527 D532 A533 V534 I547 V551 V570 A573 L574 L577	L526-V530 HydrophobicContact CD1-CG2 4.23Å; L526-V530 HydrophobicContact CG-CG2 4.1Å; L526-V530 WeakPolarHBondContact O-CB 3.37Å; L526-V530 WeakPolarHBondContact O-CG2 3.36Å; L526-V530 PolarHBondContact O-N 2.98Å; A527-V530 PolarHBondContact O-N 3.29Å; V530-D532 PolarHBondContact O-N 2.95Å; V530-A533 WeakPolarHBondContact O-CB 3.31Å; V530-A533 PolarHBondContact O-N 3.45Å; V530-V534 HydrophobicContact CG1-CG2 4.49Å; V530-V534 WeakPolarHBondContact O-CG2 3.15Å; V530-V534 PolarHBondContact O-N 3.47Å; V530-I547 HydrophobicContact CG1-CG2 4.29Å; V530-V551 HydrophobicContact CG2-CG2 3.87Å; V530-V570 HydrophobicContact CG2-CB 4.42Å; V530-V570 HydrophobicContact CG2-CG1 4.31Å; V530-V570 HydrophobicContact CG2-CG2 4Å; V530-A573 HydrophobicContact CB-CB 4.01Å; V530-A573 HydrophobicContact CG1-CB 4.07Å; V530-A573 HydrophobicContact CG2-CB 3.84Å; V530-L574 HydrophobicContact CG1-CD2 3.56Å; V530-L574 HydrophobicContact CG1-CG 3.72Å; V530-L577 HydrophobicContact CB-CD1 4.31Å; V530-L577 HydrophobicContact CG1-CD1 3.84Å
531	R	96.1	Very high	93.5	Very high	9 Å²	9	18.6 Å²	18.6	3%	0.034	11%	0.105	C	C	.	.	H	α-helix	trans	-57.8	-47.9	176.3	179.9	-158.4	67.7	177.7	-1.2	111.4	P483 A527 E528 V534 A535 L577 Y597	P483-R531 PolarHBondContact O-NH1 2.76Å; P483-R531 VanDerWaalsContact O-NH1 3.14Å; A527-R531 VanDerWaalsContact O-CB 3.25Å; A527-R531 WeakPolarHBondContact O-CB 3.44Å; A527-R531 PolarHBondContact O-N 3.5Å; E528-R531 PolarHBondContact O-N 2.89Å; E528-R531 IonicContact OE1-NH1 3.38Å; E528-R531 IonicContact OE2-CZ 2.66Å; E528-R531 IonicContact OE2-NE 3.39Å; E528-R531 PolarHBondContact OE2-NE 3.29Å; E528-R531 IonicContact OE2-NH1 3.41Å; E528-R531 PolarHBondContact OE2-NH1 2.86Å; E528-R531 IonicContact OE2-NH2 3.5Å; R531-V534 PolarHBondContact O-N 3.4Å; R531-A535 PolarHBondContact O-N 3.15Å; R531-L577 HydrophobicContact CB-CD1 3.85Å; R531-L577 HydrophobicContact CB-CD2 3.95Å; R531-L577 HydrophobicContact CG-CD2 4.34Å; R531-Y597 HydrophobicContact CG-CE2 4.2Å
532	D	96.4	Very high	93.9	Very high	3 Å²	3	16 Å²	16	2%	0.016	9%	0.089	C	C	.	.	H	α-helix	trans	-60.9	-45.3	175.7	-76.3	8.7	0	0	0	110.8	R462 Y472 E528 I529 V530 V534 A535 C536	R462-D532 WeakPolarHBondContact CD-OD2 3.48Å; R462-D532 IonicContact CZ-OD1 3.08Å; R462-D532 IonicContact CZ-OD2 3.12Å; R462-D532 IonicContact NE-OD1 2.75Å; R462-D532 IonicContact NE-OD2 3.79Å; R462-D532 PolarHBondContact NE-OD2 3.44Å; R462-D532 IonicContact NH2-OD1 3.67Å; R462-D532 PolarHBondContact NH2-OD1 2.99Å; R462-D532 IonicContact NH2-OD2 2.85Å; Y472-D532 HydrophobicContact CE2-CB 3.85Å; Y472-D532 WeakPolarHBondContact CE2-OD2 3.32Å; Y472-D532 PolarHBondContact OH-OD2 2.86Å; E528-D532 WeakPolarHBondContact O-CB 3.47Å; E528-D532 VanDerWaalsContact O-CG 3.31Å; E528-D532 PolarHBondContact O-N 2.99Å; I529-D532 PolarHBondContact O-N 3.18Å; V530-D532 PolarHBondContact O-N 2.95Å; D532-V534 VanDerWaalsContact C-N 3.33Å; D532-V534 PolarHBondContact O-N 3.26Å; D532-A535 WeakPolarHBondContact O-CB 3.4Å; D532-A535 PolarHBondContact O-N 3.46Å; D532-A535 VanDerWaalsContact O-N 3.09Å; D532-C536 WeakPolarHBondContact O-CB 3.31Å; D532-C536 PolarHBondContact O-N 2.97Å; D532-C536 PolarHBondContact O-SG 3.44Å
533	A	97.1	Very high	94.4	Very high	2 Å²	2	14.9 Å²	14.9	2%	0.017	9%	0.087	C	C	.	.	H	α-helix	trans	-59.4	-36.5	175.9	0	0	0	0	0	113.3	I529 V530 C536 L537 I547 L550 V551	I529-A533 WeakPolarHBondContact O-CB 3.43Å; I529-A533 PolarHBondContact O-N 3.24Å; V530-A533 WeakPolarHBondContact O-CB 3.31Å; V530-A533 PolarHBondContact O-N 3.45Å; A533-C536 PolarHBondContact O-N 3.41Å; A533-L537 PolarHBondContact O-N 3Å; A533-I547 HydrophobicContact CB-CG2 4.47Å; A533-L550 HydrophobicContact CB-CB 3.92Å; A533-L550 VanDerWaalsContact O-CD1 3.23Å; A533-L550 WeakPolarHBondContact O-CD1 3.45Å; A533-V551 HydrophobicContact CB-CG2 3.64Å
534	V	96.7	Very high	94.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.5	-36.6	174.6	-165.4	0	0	0	0	111.6	V530 R531 D532 C536 L537 I547 L574 V586 W595	V530-V534 HydrophobicContact CG1-CG2 4.49Å; V530-V534 WeakPolarHBondContact O-CG2 3.15Å; V530-V534 PolarHBondContact O-N 3.47Å; R531-V534 PolarHBondContact O-N 3.4Å; D532-V534 VanDerWaalsContact C-N 3.33Å; D532-V534 PolarHBondContact O-N 3.26Å; V534-C536 VanDerWaalsContact C-N 3.32Å; V534-L537 HydrophobicContact CB-CD1 4.4Å; V534-L537 HydrophobicContact CG1-CD1 3.87Å; V534-L537 WeakPolarHBondContact O-CB 3.34Å; V534-L537 WeakPolarHBondContact O-CD1 3.11Å; V534-L537 PolarHBondContact O-N 3.16Å; V534-I547 HydrophobicContact CG1-CD1 4.4Å; V534-I547 HydrophobicContact CG2-CD1 3.79Å; V534-I547 HydrophobicContact CG2-CG1 4.13Å; V534-I547 HydrophobicContact CG2-CG2 4.41Å; V534-L574 HydrophobicContact CG2-CD2 3.69Å; V534-V586 HydrophobicContact CB-CG1 4.03Å; V534-V586 HydrophobicContact CG1-CG1 4.12Å; V534-V586 HydrophobicContact CG2-CG1 3.83Å; V534-W595 HydrophobicContact CG1-CB 4.45Å
535	A	95.7	Very high	95.1	Very high	2 Å²	2	21.1 Å²	21.1	2%	0.017	12%	0.122	C	C	.	.	H	α-helix	trans	-67	-35.3	175.5	0	0	0	0	0	112.6	A479 V481 R531 D532 L537 Y597	A479-A535 WeakPolarHBondContact CB-O 3.04Å; V481-A535 HydrophobicContact CG1-CB 3.23Å; R531-A535 PolarHBondContact O-N 3.15Å; D532-A535 WeakPolarHBondContact O-CB 3.4Å; D532-A535 PolarHBondContact O-N 3.46Å; D532-A535 VanDerWaalsContact O-N 3.09Å; A535-L537 PolarHBondContact O-N 2.87Å; A535-Y597 HydrophobicContact CB-CD1 3.44Å; A535-Y597 VanDerWaalsContact CB-CD1 3.44Å; A535-Y597 HydrophobicContact CB-CD2 3.95Å; A535-Y597 HydrophobicContact CB-CE1 3.44Å; A535-Y597 VanDerWaalsContact CB-CE1 3.44Å; A535-Y597 HydrophobicContact CB-CE2 3.96Å; A535-Y597 HydrophobicContact CB-CG 3.71Å
536	C	95.4	Very high	95.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.4	179.1	-67.4	0	0	0	0	114.7	Y472 I474 D532 A533 V534 L550	Y472-C536 VanDerWaalsContact CD2-SG 3.59Å; I474-C536 HydrophobicContact CD1-CB 3.47Å; I474-C536 VanDerWaalsContact CD1-CB 3.47Å; I474-C536 WeakPolarHBondContact CD1-SG 3.46Å; D532-C536 WeakPolarHBondContact O-CB 3.31Å; D532-C536 PolarHBondContact O-N 2.97Å; D532-C536 PolarHBondContact O-SG 3.44Å; A533-C536 PolarHBondContact O-N 3.41Å; V534-C536 VanDerWaalsContact C-N 3.32Å; C536-L550 HydrophobicContact CB-CD1 4.03Å
537	L	95.1	Very high	95.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-65.7	152.6	172.8	-68.8	166.2	0	0	0	111.5	Y477 A533 V534 A535 N539 G540 D546 I547 L550	Y477-L537 WeakPolarHBondContact CE1-O 3.24Å; Y477-L537 VanDerWaalsContact CZ-O 3.3Å; Y477-L537 PolarHBondContact OH-O 3.49Å; A533-L537 PolarHBondContact O-N 3Å; V534-L537 HydrophobicContact CB-CD1 4.4Å; V534-L537 HydrophobicContact CG1-CD1 3.87Å; V534-L537 WeakPolarHBondContact O-CB 3.34Å; V534-L537 WeakPolarHBondContact O-CD1 3.11Å; V534-L537 PolarHBondContact O-N 3.16Å; A535-L537 PolarHBondContact O-N 2.87Å; L537-N539 PolarHBondContact O-N 3.08Å; L537-G540 WeakPolarHBondContact O-CA 3.37Å; L537-G540 PolarHBondContact O-N 3.42Å; L537-D546 HydrophobicContact CD2-CB 3.67Å; L537-I547 HydrophobicContact CD1-CD1 4.34Å; L537-I547 HydrophobicContact CD1-CG1 3.78Å; L537-L550 HydrophobicContact CD2-CD1 3.74Å; L537-L550 HydrophobicContact CG-CD1 4.06Å
538	P	93.4	Very high	95.4	Very high	20 Å²	20	19.7 Å²	19.7	13%	0.13	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-55.1	126.3	171.1	23.6	-33.6	0	0	0	110.6	T440 W442 G540 E541	T440-P538 HydrophobicContact CG2-CB 3.96Å; W442-P538 HydrophobicContact CE3-CB 3.75Å; W442-P538 HydrophobicContact CE3-CG 4.35Å; W442-P538 HydrophobicContact CZ3-CB 3.99Å; W442-P538 HydrophobicContact CZ3-CG 4.25Å; W442-P538 WeakPolarHBondContact O-CB 3.34Å; P538-G540 PolarHBondContact O-N 3.26Å; P538-E541 PolarHBondContact O-N 3.12Å; P538-E541 VanDerWaalsContact O-N 3.12Å
539	N	92.9	Very high	95.4	Very high	39 Å²	39	21.1 Å²	21.1	21%	0.209	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	56.6	15.3	-173.2	-55.6	-63.4	0	0	0	114.4	P436 P439 T440 Y477 L537 E541 R600	P436-N539 HydrophobicContact CB-CB 4.21Å; P436-N539 HydrophobicContact CG-CB 3.93Å; P439-N539 WeakPolarHBondContact CA-OD1 3.48Å; T440-N539 PolarHBondContact N-OD1 3.24Å; T440-N539 PolarHBondContact O-ND2 2.84Å; T440-N539 PolarHBondContact O-OD1 2.96Å; Y477-N539 PolarHBondContact OH-N 3.29Å; L537-N539 PolarHBondContact O-N 3.08Å; N539-E541 VanDerWaalsContact C-N 3.26Å; N539-E541 HydrophobicContact CB-CG 4.29Å; N539-E541 PolarHBondContact O-N 3.3Å; N539-R600 WeakPolarHBondContact O-CD 3.29Å; N539-R600 PolarHBondContact O-NH1 2.96Å
540	G	94.1	Very high	95.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	62.4	27.1	-172.3	0	0	0	0	0	113.9	Y477 L537 P538 I596 Y597	Y477-G540 PolarHBondContact OH-N 3.24Å; Y477-G540 VanDerWaalsContact OH-N 3.12Å; L537-G540 WeakPolarHBondContact O-CA 3.37Å; L537-G540 PolarHBondContact O-N 3.42Å; P538-G540 PolarHBondContact O-N 3.26Å; G540-I596 CarbonylContact O-C 3.4Å; G540-I596 WeakPolarHBondContact O-CA 3.32Å; G540-Y597 PolarHBondContact O-N 3.24Å
541	E	94.7	Very high	95.4	Very high	43 Å²	43	20.9 Å²	20.9	20%	0.201	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.7	176.5	62.8	-176.6	-120	0	0	113.8	P538 N539 R592 W595 I596 R600	P538-E541 PolarHBondContact O-N 3.12Å; P538-E541 VanDerWaalsContact O-N 3.12Å; N539-E541 VanDerWaalsContact C-N 3.26Å; N539-E541 HydrophobicContact CB-CG 4.29Å; N539-E541 PolarHBondContact O-N 3.3Å; E541-R592 IonicContact OE1-NH1 2.7Å; E541-R592 PolarHBondContact OE1-NH1 3.2Å; E541-R592 IonicContact OE2-NH1 2.89Å; E541-W595 VanDerWaalsContact CA-O 3.28Å; E541-W595 WeakPolarHBondContact CA-O 3.45Å; E541-I596 HydrophobicContact CB-CG1 3.91Å; E541-R600 IonicContact OE2-CZ 2.77Å; E541-R600 IonicContact OE2-NH1 3.55Å; E541-R600 PolarHBondContact OE2-NH1 3.11Å; E541-R600 IonicContact OE2-NH2 3.37Å; E541-R600 PolarHBondContact OE2-NH2 3.03Å
542	G	95	Very high	95.3	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	169.5	-171.3	0	0	0	0	0	114.3	M594 W595	G542-M594 VanDerWaalsContact C-SD 3.57Å; G542-M594 VanDerWaalsContact CA-CE 3.47Å; G542-W595 PolarHBondContact N-O 3.07Å; G542-W595 PolarHBondContact O-N 3.43Å
543	T	95.5	Very high	95.3	Very high	50 Å²	50	25.8 Å²	25.8	31%	0.307	14%	0.139	S	C	.	.			trans	-79	168.1	174	73.3	0	0	0	0	111.3	A545 D546 I547 M594	T543-A545 PolarHBondContact O-N 3.08Å; T543-A545 WeakPolarHBondContact OG1-CB 3.46Å; T543-A545 PolarHBondContact OG1-N 3.16Å; T543-A545 VanDerWaalsContact OG1-N 3.13Å; T543-D546 WeakPolarHBondContact CA-OD2 3.28Å; T543-D546 VanDerWaalsContact CB-OD2 3.25Å; T543-D546 WeakPolarHBondContact CB-OD2 3.25Å; T543-D546 WeakPolarHBondContact CG2-OD2 3.43Å; T543-D546 PolarHBondContact N-OD2 3.41Å; T543-D546 PolarHBondContact O-N 2.82Å; T543-D546 VanDerWaalsContact OG1-CG 3.29Å; T543-D546 PolarHBondContact OG1-N 2.98Å; T543-D546 PolarHBondContact OG1-OD2 3.43Å; T543-I547 WeakPolarHBondContact O-CG1 3.38Å; T543-I547 PolarHBondContact O-N 3.06Å; T543-I547 VanDerWaalsContact O-N 3.15Å; T543-M594 HydrophobicContact CG2-CE 4.22Å; T543-M594 HydrophobicContact CG2-SD 3.56Å; T543-M594 VanDerWaalsContact CG2-SD 3.56Å
544	R	95.3	Very high	95.2	Very high	114 Å²	114	25.9 Å²	25.9	43%	0.43	14%	0.14	S	C	.	.	H	α-helix	trans	-60	-28	168.8	-171.1	-178.3	66.4	-170.7	-4.5	112.4	T548 V570 S571 L574	R544-T548 WeakPolarHBondContact O-CB 3.43Å; R544-T548 PolarHBondContact O-N 3.44Å; R544-T548 PolarHBondContact O-OG1 3.25Å; R544-V570 HydrophobicContact CG-CG1 4.39Å; R544-S571 VanDerWaalsContact CD-OG 3.23Å; R544-S571 WeakPolarHBondContact CD-OG 3.34Å; R544-S571 PolarHBondContact NH1-OG 3.05Å; R544-L574 HydrophobicContact CG-CD1 4.35Å
545	A	94.5	Very high	95.1	Very high	60 Å²	60	27 Å²	27	50%	0.496	15%	0.152	S	C	.	.	H	α-helix	trans	-67.9	-46.4	176.1	0	0	0	0	0	110.6	T543 I547 T548 T549	T543-A545 PolarHBondContact O-N 3.08Å; T543-A545 WeakPolarHBondContact OG1-CB 3.46Å; T543-A545 PolarHBondContact OG1-N 3.16Å; T543-A545 VanDerWaalsContact OG1-N 3.13Å; A545-I547 VanDerWaalsContact C-N 3.34Å; A545-I547 PolarHBondContact O-N 2.97Å; A545-T548 WeakPolarHBondContact O-CA 3.41Å; A545-T548 WeakPolarHBondContact O-CB 3.5Å; A545-T548 PolarHBondContact O-N 3.24Å; A545-T549 PolarHBondContact O-N 3.16Å; A545-T549 PolarHBondContact O-OG1 3.39Å; A545-T549 VanDerWaalsContact O-OG1 3.08Å
546	D	95.2	Very high	95.1	Very high	46 Å²	46	28.3 Å²	28.3	25%	0.246	16%	0.157	C	C	.	.	H	α-helix	trans	-60.1	-42.4	178	-53.4	-56.3	0	0	0	112	L444 L537 T543 T548 T549 L550	L444-D546 HydrophobicContact CD2-CB 3.82Å; L444-D546 WeakPolarHBondContact CD2-O 3.25Å; L537-D546 HydrophobicContact CD2-CB 3.67Å; T543-D546 WeakPolarHBondContact CA-OD2 3.28Å; T543-D546 VanDerWaalsContact CB-OD2 3.25Å; T543-D546 WeakPolarHBondContact CB-OD2 3.25Å; T543-D546 WeakPolarHBondContact CG2-OD2 3.43Å; T543-D546 PolarHBondContact N-OD2 3.41Å; T543-D546 PolarHBondContact O-N 2.82Å; T543-D546 VanDerWaalsContact OG1-CG 3.29Å; T543-D546 PolarHBondContact OG1-N 2.98Å; T543-D546 PolarHBondContact OG1-OD2 3.43Å; D546-T548 VanDerWaalsContact C-N 3.33Å; D546-T548 PolarHBondContact O-N 3.09Å; D546-T549 WeakPolarHBondContact O-CB 3.44Å; D546-T549 PolarHBondContact O-N 3.2Å; D546-L550 PolarHBondContact O-N 3.4Å; D546-L550 VanDerWaalsContact O-N 3.09Å
547	I	97.1	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-43.3	172.5	-64.3	165	0	0	0	110.7	V530 A533 V534 L537 T543 A545 T549 L550 V551 V570 L574 W595	V530-I547 HydrophobicContact CG1-CG2 4.29Å; A533-I547 HydrophobicContact CB-CG2 4.47Å; V534-I547 HydrophobicContact CG1-CD1 4.4Å; V534-I547 HydrophobicContact CG2-CD1 3.79Å; V534-I547 HydrophobicContact CG2-CG1 4.13Å; V534-I547 HydrophobicContact CG2-CG2 4.41Å; L537-I547 HydrophobicContact CD1-CD1 4.34Å; L537-I547 HydrophobicContact CD1-CG1 3.78Å; T543-I547 WeakPolarHBondContact O-CG1 3.38Å; T543-I547 PolarHBondContact O-N 3.06Å; T543-I547 VanDerWaalsContact O-N 3.15Å; A545-I547 VanDerWaalsContact C-N 3.34Å; A545-I547 PolarHBondContact O-N 2.97Å; I547-T549 VanDerWaalsContact C-N 3.34Å; I547-T549 PolarHBondContact O-N 3.28Å; I547-L550 PolarHBondContact O-N 2.85Å; I547-V551 HydrophobicContact CG2-CG2 4.19Å; I547-V551 WeakPolarHBondContact O-CB 3.49Å; I547-V551 VanDerWaalsContact O-CG2 3.22Å; I547-V551 WeakPolarHBondContact O-CG2 3.46Å; I547-V551 PolarHBondContact O-N 3.22Å; I547-V570 HydrophobicContact CG2-CG1 3.87Å; I547-L574 HydrophobicContact CD1-CD1 3.96Å; I547-L574 HydrophobicContact CD1-CD2 4.07Å; I547-W595 HydrophobicContact CD1-CB 3.61Å; I547-W595 HydrophobicContact CD1-CG 3.78Å
548	T	96.1	Very high	95.1	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-63.4	-41.2	178.7	-53.4	0	0	0	0	111	R544 A545 D546 L550 V551 Q552 L566 Q567	R544-T548 WeakPolarHBondContact O-CB 3.43Å; R544-T548 PolarHBondContact O-N 3.44Å; R544-T548 PolarHBondContact O-OG1 3.25Å; A545-T548 WeakPolarHBondContact O-CA 3.41Å; A545-T548 WeakPolarHBondContact O-CB 3.5Å; A545-T548 PolarHBondContact O-N 3.24Å; D546-T548 VanDerWaalsContact C-N 3.33Å; D546-T548 PolarHBondContact O-N 3.09Å; T548-L550 PolarHBondContact O-N 3.3Å; T548-V551 PolarHBondContact O-N 2.91Å; T548-Q552 HydrophobicContact CG2-CG 4.48Å; T548-Q552 WeakPolarHBondContact O-CB 3.38Å; T548-Q552 VanDerWaalsContact O-CG 3.25Å; T548-Q552 WeakPolarHBondContact O-CG 3.42Å; T548-Q552 PolarHBondContact O-N 3.36Å; T548-L566 HydrophobicContact CG2-CD2 3.98Å; T548-L566 HydrophobicContact CG2-CG 4.23Å; T548-Q567 HydrophobicContact CG2-CG 3.99Å
549	T	94.2	Very high	94.9	Very high	43 Å²	43	37 Å²	37	26%	0.264	21%	0.208	S	C	.	.	H	α-helix	trans	-60.1	-41.1	175.9	-55.3	0	0	0	0	112.3	L444 A545 D546 I547 N553	L444-T549 HydrophobicContact CD2-CG2 4.25Å; A545-T549 PolarHBondContact O-N 3.16Å; A545-T549 PolarHBondContact O-OG1 3.39Å; A545-T549 VanDerWaalsContact O-OG1 3.08Å; D546-T549 WeakPolarHBondContact O-CB 3.44Å; D546-T549 PolarHBondContact O-N 3.2Å; I547-T549 VanDerWaalsContact C-N 3.34Å; I547-T549 PolarHBondContact O-N 3.28Å; T549-N553 PolarHBondContact O-ND2 3.49Å
550	L	95.6	Very high	94.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.6	-45.9	175.1	-75.5	173.1	0	0	0	112	L444 F447 A533 C536 L537 D546 I547 T548 Q552 N553	L444-L550 HydrophobicContact CD1-CD2 3.7Å; L444-L550 HydrophobicContact CD1-CG 4.05Å; L444-L550 HydrophobicContact CD2-CD1 4.37Å; L444-L550 HydrophobicContact CD2-CG 3.95Å; F447-L550 HydrophobicContact CE1-CD2 3.76Å; F447-L550 HydrophobicContact CZ-CD2 3.51Å; A533-L550 HydrophobicContact CB-CB 3.92Å; A533-L550 VanDerWaalsContact O-CD1 3.23Å; A533-L550 WeakPolarHBondContact O-CD1 3.45Å; C536-L550 HydrophobicContact CB-CD1 4.03Å; L537-L550 HydrophobicContact CD2-CD1 3.74Å; L537-L550 HydrophobicContact CG-CD1 4.06Å; D546-L550 PolarHBondContact O-N 3.4Å; D546-L550 VanDerWaalsContact O-N 3.09Å; I547-L550 PolarHBondContact O-N 2.85Å; T548-L550 PolarHBondContact O-N 3.3Å; L550-Q552 PolarHBondContact O-N 3.44Å; L550-N553 PolarHBondContact O-N 3.28Å; L550-N553 VanDerWaalsContact O-N 3.08Å
551	V	96.9	Very high	94.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-34.7	178.9	172.3	0	0	0	0	111.6	L526 I529 V530 A533 I547 T548 N553 S554 L557 L566 V570	L526-V551 HydrophobicContact CD1-CG1 4.11Å; I529-V551 HydrophobicContact CG2-CG1 4.3Å; I529-V551 HydrophobicContact CG2-CG2 4.46Å; V530-V551 HydrophobicContact CG2-CG2 3.87Å; A533-V551 HydrophobicContact CB-CG2 3.64Å; I547-V551 HydrophobicContact CG2-CG2 4.19Å; I547-V551 WeakPolarHBondContact O-CB 3.49Å; I547-V551 VanDerWaalsContact O-CG2 3.22Å; I547-V551 WeakPolarHBondContact O-CG2 3.46Å; I547-V551 PolarHBondContact O-N 3.22Å; T548-V551 PolarHBondContact O-N 2.91Å; V551-N553 PolarHBondContact O-N 3.34Å; V551-N553 VanDerWaalsContact O-N 3.15Å; V551-S554 VanDerWaalsContact O-CB 3.29Å; V551-S554 WeakPolarHBondContact O-CB 3.24Å; V551-S554 PolarHBondContact O-N 3.38Å; V551-S554 VanDerWaalsContact O-N 3.09Å; V551-L557 HydrophobicContact CG1-CD1 4.4Å; V551-L557 WeakPolarHBondContact O-CD1 3.33Å; V551-L566 HydrophobicContact CG1-CD1 4.03Å; V551-V570 HydrophobicContact CG1-CG2 4.2Å; V551-V570 HydrophobicContact CG2-CG2 4.45Å
552	Q	95.2	Very high	94.5	Very high	93 Å²	93	46.3 Å²	46.3	44%	0.435	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.9	175.8	-81.3	173.2	-27.4	0	0	114.4	T548 L550 L566	T548-Q552 HydrophobicContact CG2-CG 4.48Å; T548-Q552 WeakPolarHBondContact O-CB 3.38Å; T548-Q552 VanDerWaalsContact O-CG 3.25Å; T548-Q552 WeakPolarHBondContact O-CG 3.42Å; T548-Q552 PolarHBondContact O-N 3.36Å; L550-Q552 PolarHBondContact O-N 3.44Å; Q552-L566 HydrophobicContact CG-CD2 3.47Å; Q552-L566 VanDerWaalsContact CG-CD2 3.47Å
553	N	94.9	Very high	94.4	Very high	21 Å²	21	49.7 Å²	49.7	11%	0.112	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-5.7	178.3	-61.6	-37.7	0	0	0	113.5	F447 K452 F455 Q456 T549 L550 V551	F447-N553 HydrophobicContact CD2-CB 4.12Å; F447-N553 WeakPolarHBondContact CD2-ND2 3.26Å; F447-N553 HydrophobicContact CE2-CB 4.2Å; F447-N553 VanDerWaalsContact CG-ND2 3.31Å; F447-N553 WeakPolarHBondContact CG-ND2 3.49Å; K452-N553 HydrophobicContact CG-CB 4.43Å; F455-N553 HydrophobicContact CD1-CB 3.87Å; F455-N553 HydrophobicContact CE1-CB 4.11Å; Q456-N553 VanDerWaalsContact CG-O 3.25Å; Q456-N553 WeakPolarHBondContact CG-O 3.44Å; Q456-N553 PolarHBondContact NE2-O 3.49Å; T549-N553 PolarHBondContact O-ND2 3.49Å; L550-N553 PolarHBondContact O-N 3.28Å; L550-N553 VanDerWaalsContact O-N 3.08Å; V551-N553 PolarHBondContact O-N 3.34Å; V551-N553 VanDerWaalsContact O-N 3.15Å
554	S	96.2	Very high	94.3	Very high	5 Å²	5	56.3 Å²	56.3	4%	0.035	30%	0.301	C	S	.	.			trans	-60.6	133.9	177.8	173.1	0	0	0	0	112.2	E459 V551 F556	E459-S554 VanDerWaalsContact CD-OG 3.26Å; E459-S554 VanDerWaalsContact OE1-CB 3.3Å; E459-S554 WeakPolarHBondContact OE1-CB 3.47Å; E459-S554 PolarHBondContact OE1-OG 3.19Å; E459-S554 VanDerWaalsContact OE2-CA 3.31Å; E459-S554 WeakPolarHBondContact OE2-CA 3.38Å; E459-S554 PolarHBondContact OE2-OG 3.12Å; E459-S554 VanDerWaalsContact OE2-OG 3.12Å; V551-S554 VanDerWaalsContact O-CB 3.29Å; V551-S554 WeakPolarHBondContact O-CB 3.24Å; V551-S554 PolarHBondContact O-N 3.38Å; V551-S554 VanDerWaalsContact O-N 3.09Å; S554-F556 PolarHBondContact O-N 3.22Å; S554-F556 PolarHBondContact OG-N 3.29Å
555	G	95	Very high	94.3	Very high	24 Å²	24	54.1 Å²	54.1	25%	0.247	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.1	177.1	0	0	0	0	0	113.2	E459 R517	E459-G555 PolarHBondContact OE2-N 3.44Å; R517-G555 VanDerWaalsContact CD-O 3.23Å; R517-G555 WeakPolarHBondContact CD-O 3.42Å
556	F	95	Very high	94.4	Very high	28 Å²	28	51.4 Å²	51.4	12%	0.123	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-4.1	-179.9	-63.6	-61.7	0	0	0	114.5	E459 F463 L516 R517 R520 V524 I529 S554	E459-F556 HydrophobicContact CG-CD2 4.04Å; E459-F556 HydrophobicContact CG-CE2 3.92Å; F463-F556 HydrophobicContact CB-CE2 4.28Å; F463-F556 HydrophobicContact CB-CZ 4.44Å; F463-F556 HydrophobicContact CD2-CD2 4.21Å; F463-F556 AromaticContact CD2-CE2 3.64Å; F463-F556 HydrophobicContact CD2-CE2 3.64Å; F463-F556 HydrophobicContact CE2-CD2 4.43Å; F463-F556 HydrophobicContact CE2-CE2 4.3Å; F463-F556 HydrophobicContact CG-CE2 4.19Å; L516-F556 VanDerWaalsContact CA-O 3.31Å; L516-F556 WeakPolarHBondContact CA-O 3.45Å; L516-F556 HydrophobicContact CD2-CB 4.43Å; L516-F556 WeakPolarHBondContact CD2-O 3.35Å; R517-F556 PolarHBondContact N-O 2.96Å; R520-F556 HydrophobicContact CB-CD1 3.41Å; R520-F556 VanDerWaalsContact CB-CD1 3.41Å; R520-F556 HydrophobicContact CB-CE1 3.87Å; R520-F556 HydrophobicContact CB-CG 4.23Å; V524-F556 HydrophobicContact CG1-CB 3.82Å; V524-F556 HydrophobicContact CG1-CD1 4.44Å; V524-F556 HydrophobicContact CG1-CD2 3.84Å; V524-F556 HydrophobicContact CG1-CG 3.77Å; V524-F556 HydrophobicContact CG2-CD1 4.43Å; V524-F556 HydrophobicContact CG2-CD2 4.08Å; V524-F556 HydrophobicContact CG2-CE1 4.34Å; V524-F556 HydrophobicContact CG2-CE2 3.98Å; V524-F556 HydrophobicContact CG2-CG 4.31Å; V524-F556 HydrophobicContact CG2-CZ 4.11Å; I529-F556 HydrophobicContact CD1-CB 4.14Å; S554-F556 PolarHBondContact O-N 3.22Å; S554-F556 PolarHBondContact OG-N 3.29Å
557	L	95.8	Very high	94.4	Very high	16 Å²	16	53.3 Å²	53.3	8%	0.084	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-71.8	156.2	167.3	-73.2	-178.7	0	0	0	112	L515 L516 R517 V551 V561 L566	L515-L557 HydrophobicContact CB-CD2 4.31Å; L515-L557 WeakPolarHBondContact O-CA 3.37Å; L515-L557 WeakPolarHBondContact O-CD2 3.34Å; L516-L557 HydrophobicContact CD2-CD2 4.12Å; R517-L557 WeakPolarHBondContact CG-O 3.25Å; V551-L557 HydrophobicContact CG1-CD1 4.4Å; V551-L557 WeakPolarHBondContact O-CD1 3.33Å; L557-V561 HydrophobicContact CB-CG2 4.5Å; L557-V561 HydrophobicContact CD2-CG2 4.45Å; L557-L566 HydrophobicContact CD1-CD2 4.44Å; L557-L566 HydrophobicContact CD2-CD1 4.19Å
558	L	94.6	Very high	94.4	Very high	71 Å²	71	59.1 Å²	59.1	37%	0.372	31%	0.308	S	S	.	.			trans	-73	143.6	165.4	-62.3	174.8	0	0	0	110.2	P514 L515 R517 N560 V561	P514-L558 WeakPolarHBondContact O-CD1 3.43Å; L515-L558 PolarHBondContact O-N 3.38Å; R517-L558 HydrophobicContact CB-CD2 4.43Å; R517-L558 HydrophobicContact CG-CD2 4.16Å; L558-N560 PolarHBondContact O-N 3.49Å; L558-N560 VanDerWaalsContact O-N 3.14Å; L558-V561 HydrophobicContact CB-CG2 4.06Å; L558-V561 WeakPolarHBondContact O-CG2 3.34Å
559	P	88.6	Confident	94.4	Very high	116 Å²	116	60.3 Å²	60.3	75%	0.753	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-31	-176	-27.7	35.4	0	0	0	115.4
560	N	88.3	Confident	94.5	Very high	158 Å²	158	58.3 Å²	58.3	85%	0.845	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	46.4	-172.1	-64.4	-19.2	0	0	0	112.3	L558	L558-N560 PolarHBondContact O-N 3.49Å; L558-N560 VanDerWaalsContact O-N 3.14Å
561	V	91.3	Very high	94.6	Very high	31 Å²	31	60 Å²	60	19%	0.188	32%	0.315	C	S	.	.			trans	-70.4	129.9	178.5	161.3	0	0	0	0	111.9	L515 L557 L558 L566	L515-V561 HydrophobicContact CB-CG2 4.23Å; L515-V561 HydrophobicContact CD1-CG1 4.48Å; L515-V561 HydrophobicContact CD2-CG1 3.99Å; L515-V561 HydrophobicContact CD2-CG2 4.18Å; L557-V561 HydrophobicContact CB-CG2 4.5Å; L557-V561 HydrophobicContact CD2-CG2 4.45Å; L558-V561 HydrophobicContact CB-CG2 4.06Å; L558-V561 WeakPolarHBondContact O-CG2 3.34Å; V561-L566 HydrophobicContact CG1-CB 3.73Å; V561-L566 HydrophobicContact CG1-CD1 4.3Å; V561-L566 HydrophobicContact CG1-CD2 4.22Å; V561-L566 HydrophobicContact CG1-CG 4.3Å
562	N	93.2	Very high	94.5	Very high	88 Å²	88	62.1 Å²	62.1	47%	0.471	33%	0.33	S	S	.	.			trans	-66.4	122	172.2	-179.6	-32.2	0	0	0	110.3	R564 Q565 L566	N562-R564 VanDerWaalsContact C-N 3.29Å; N562-R564 PolarHBondContact O-N 3.43Å; N562-R564 WeakPolarHBondContact OD1-CB 3.41Å; N562-R564 PolarHBondContact OD1-N 3.12Å; N562-Q565 HydrophobicContact CB-CB 4.01Å; N562-Q565 WeakPolarHBondContact O-CB 3.38Å; N562-Q565 PolarHBondContact O-N 3Å; N562-Q565 VanDerWaalsContact O-N 3.13Å; N562-L566 PolarHBondContact O-N 3.47Å
563	P	93	Very high	94.5	Very high	74 Å²	74	58 Å²	58	48%	0.481	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-27.8	-174.3	25.4	-34.6	0	0	0	113.6	Q567	P563-Q567 WeakPolarHBondContact O-CG 3.47Å; P563-Q567 PolarHBondContact O-N 3.35Å; P563-Q567 VanDerWaalsContact O-N 3.09Å
564	R	94.3	Very high	94.6	Very high	188 Å²	188	57 Å²	57	71%	0.709	31%	0.307	S	S	*	.	H	α-helix	trans	-68.3	-44.5	174.3	-176	-178.7	-68.1	-150.8	0.6	110.8	N562 L566 Q567 Q568	N562-R564 VanDerWaalsContact C-N 3.29Å; N562-R564 PolarHBondContact O-N 3.43Å; N562-R564 WeakPolarHBondContact OD1-CB 3.41Å; N562-R564 PolarHBondContact OD1-N 3.12Å; R564-L566 VanDerWaalsContact C-N 3.34Å; R564-Q567 PolarHBondContact O-N 3.26Å; R564-Q568 WeakPolarHBondContact O-CG 3.46Å; R564-Q568 PolarHBondContact O-N 2.73Å; R564-Q568 VanDerWaalsContact O-N 3.11Å
565	Q	95.5	Very high	94.5	Very high	69 Å²	69	61.2 Å²	61.2	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-64.3	-40.8	177.3	-165.2	-178.6	9.5	0	0	110.9	L515 N562 Q568 C569	L515-Q565 HydrophobicContact CD2-CB 4.38Å; L515-Q565 HydrophobicContact CD2-CG 3.92Å; N562-Q565 HydrophobicContact CB-CB 4.01Å; N562-Q565 WeakPolarHBondContact O-CB 3.38Å; N562-Q565 PolarHBondContact O-N 3Å; N562-Q565 VanDerWaalsContact O-N 3.13Å; Q565-Q568 PolarHBondContact O-N 2.91Å; Q565-C569 PolarHBondContact O-N 3.04Å; Q565-C569 PolarHBondContact O-SG 3.16Å; Q565-C569 VanDerWaalsContact O-SG 3.32Å
566	L	96.6	Very high	94.3	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-59.6	-48.3	174.6	-172.6	61	0	0	0	112	L515 T548 V551 Q552 L557 V561 N562 R564 Q568 C569 V570	L515-L566 HydrophobicContact CD1-CB 4.38Å; L515-L566 HydrophobicContact CD1-CD1 3.85Å; T548-L566 HydrophobicContact CG2-CD2 3.98Å; T548-L566 HydrophobicContact CG2-CG 4.23Å; V551-L566 HydrophobicContact CG1-CD1 4.03Å; Q552-L566 HydrophobicContact CG-CD2 3.47Å; Q552-L566 VanDerWaalsContact CG-CD2 3.47Å; L557-L566 HydrophobicContact CD1-CD2 4.44Å; L557-L566 HydrophobicContact CD2-CD1 4.19Å; V561-L566 HydrophobicContact CG1-CB 3.73Å; V561-L566 HydrophobicContact CG1-CD1 4.3Å; V561-L566 HydrophobicContact CG1-CD2 4.22Å; V561-L566 HydrophobicContact CG1-CG 4.3Å; N562-L566 PolarHBondContact O-N 3.47Å; R564-L566 VanDerWaalsContact C-N 3.34Å; L566-Q568 VanDerWaalsContact C-N 3.28Å; L566-Q568 PolarHBondContact O-N 3.02Å; L566-C569 PolarHBondContact O-N 3.03Å; L566-V570 HydrophobicContact CD1-CG2 4.08Å; L566-V570 HydrophobicContact CG-CG2 4.2Å; L566-V570 WeakPolarHBondContact O-CB 3.45Å; L566-V570 VanDerWaalsContact O-CG2 3.26Å; L566-V570 WeakPolarHBondContact O-CG2 3.18Å; L566-V570 PolarHBondContact O-N 2.92Å
567	Q	95.8	Very high	94.2	Very high	87 Å²	87	67.1 Å²	67.1	41%	0.407	34%	0.343	S	S	.	.	H	α-helix	trans	-61.1	-35.5	177.6	-72	178.4	23.2	0	0	112.9	T548 P563 R564 S571	T548-Q567 HydrophobicContact CG2-CG 3.99Å; P563-Q567 WeakPolarHBondContact O-CG 3.47Å; P563-Q567 PolarHBondContact O-N 3.35Å; P563-Q567 VanDerWaalsContact O-N 3.09Å; R564-Q567 PolarHBondContact O-N 3.26Å; Q567-S571 WeakPolarHBondContact O-CB 3.49Å; Q567-S571 PolarHBondContact O-N 3.29Å; Q567-S571 PolarHBondContact O-OG 3.22Å
568	Q	96.2	Very high	94.1	Very high	122 Å²	122	69.9 Å²	69.9	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-66.6	-48.9	174	-71.4	170.5	-43.9	0	0	111.4	R564 Q565 L566 S571 S572	R564-Q568 WeakPolarHBondContact O-CG 3.46Å; R564-Q568 PolarHBondContact O-N 2.73Å; R564-Q568 VanDerWaalsContact O-N 3.11Å; Q565-Q568 PolarHBondContact O-N 2.91Å; L566-Q568 VanDerWaalsContact C-N 3.28Å; L566-Q568 PolarHBondContact O-N 3.02Å; Q568-S571 WeakPolarHBondContact O-CB 3.01Å; Q568-S571 PolarHBondContact O-N 2.74Å; Q568-S571 VanDerWaalsContact O-N 3.17Å; Q568-S572 PolarHBondContact O-N 2.92Å
569	C	96.3	Very high	93.5	Very high	30 Å²	30	69.2 Å²	69.2	20%	0.203	37%	0.366	C	S	.	.	H	α-helix	trans	-67.7	-37.5	-179.9	-64.3	0	0	0	0	112.7	L515 L526 Q565 L566 S571 S572 A573	L515-C569 HydrophobicContact CD1-CB 3.67Å; L526-C569 HydrophobicContact CD2-CB 3.42Å; L526-C569 VanDerWaalsContact CD2-CB 3.42Å; Q565-C569 PolarHBondContact O-N 3.04Å; Q565-C569 PolarHBondContact O-SG 3.16Å; Q565-C569 VanDerWaalsContact O-SG 3.32Å; L566-C569 PolarHBondContact O-N 3.03Å; C569-S571 VanDerWaalsContact C-N 3.32Å; C569-S571 PolarHBondContact O-N 3.33Å; C569-S572 PolarHBondContact O-N 3.22Å; C569-A573 WeakPolarHBondContact O-CB 3.41Å; C569-A573 PolarHBondContact O-N 2.8Å
570	V	97.2	Very high	93.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-39.5	170.4	169	0	0	0	0	110.8	V530 R544 I547 V551 L566 A573 L574	V530-V570 HydrophobicContact CG2-CB 4.42Å; V530-V570 HydrophobicContact CG2-CG1 4.31Å; V530-V570 HydrophobicContact CG2-CG2 4Å; R544-V570 HydrophobicContact CG-CG1 4.39Å; I547-V570 HydrophobicContact CG2-CG1 3.87Å; V551-V570 HydrophobicContact CG1-CG2 4.2Å; V551-V570 HydrophobicContact CG2-CG2 4.45Å; L566-V570 HydrophobicContact CD1-CG2 4.08Å; L566-V570 HydrophobicContact CG-CG2 4.2Å; L566-V570 WeakPolarHBondContact O-CB 3.45Å; L566-V570 VanDerWaalsContact O-CG2 3.26Å; L566-V570 WeakPolarHBondContact O-CG2 3.18Å; L566-V570 PolarHBondContact O-N 2.92Å; V570-A573 PolarHBondContact O-N 3.34Å; V570-L574 HydrophobicContact CG1-CD1 3.94Å; V570-L574 HydrophobicContact CG1-CG 4.46Å; V570-L574 WeakPolarHBondContact O-CG 3.41Å; V570-L574 PolarHBondContact O-N 3.45Å
571	S	95.9	Very high	92.2	Very high	35 Å²	35	61.2 Å²	61.2	25%	0.245	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-45.3	175	-55.6	0	0	0	0	112.1	R544 Q567 Q568 C569 A573 L574 D575	R544-S571 VanDerWaalsContact CD-OG 3.23Å; R544-S571 WeakPolarHBondContact CD-OG 3.34Å; R544-S571 PolarHBondContact NH1-OG 3.05Å; Q567-S571 WeakPolarHBondContact O-CB 3.49Å; Q567-S571 PolarHBondContact O-N 3.29Å; Q567-S571 PolarHBondContact O-OG 3.22Å; Q568-S571 WeakPolarHBondContact O-CB 3.01Å; Q568-S571 PolarHBondContact O-N 2.74Å; Q568-S571 VanDerWaalsContact O-N 3.17Å; C569-S571 VanDerWaalsContact C-N 3.32Å; C569-S571 PolarHBondContact O-N 3.33Å; S571-A573 VanDerWaalsContact C-N 3.33Å; S571-A573 PolarHBondContact O-N 2.81Å; S571-L574 PolarHBondContact O-N 3.22Å; S571-D575 PolarHBondContact O-N 3.16Å
572	S	95.2	Very high	91.1	Very high	47 Å²	47	61.7 Å²	61.7	33%	0.329	32%	0.323	S	S	.	.	H	α-helix	trans	-69.5	-29.1	177	-171.3	0	0	0	0	112.9	Q568 C569 R576	Q568-S572 PolarHBondContact O-N 2.92Å; C569-S572 PolarHBondContact O-N 3.22Å; S572-R576 WeakPolarHBondContact O-CD 3.41Å; S572-R576 WeakPolarHBondContact O-CG 3.47Å; S572-R576 PolarHBondContact O-N 3.35Å; S572-R576 PolarHBondContact O-NE 2.94Å; S572-R576 PolarHBondContact OG-NE 3.49Å; S572-R576 PolarHBondContact OG-NH2 3.17Å
573	A	96.1	Very high	90.6	Very high	6 Å²	6	59 Å²	59	5%	0.05	31%	0.309	C	S	.	.	H	α-helix	trans	-66.9	-49.5	172.1	0	0	0	0	0	111.3	V530 C569 V570 S571 D575 R576 L577	V530-A573 HydrophobicContact CB-CB 4.01Å; V530-A573 HydrophobicContact CG1-CB 4.07Å; V530-A573 HydrophobicContact CG2-CB 3.84Å; C569-A573 WeakPolarHBondContact O-CB 3.41Å; C569-A573 PolarHBondContact O-N 2.8Å; V570-A573 PolarHBondContact O-N 3.34Å; S571-A573 VanDerWaalsContact C-N 3.33Å; S571-A573 PolarHBondContact O-N 2.81Å; A573-D575 VanDerWaalsContact C-N 3.3Å; A573-D575 PolarHBondContact O-N 3.2Å; A573-R576 PolarHBondContact O-N 2.77Å; A573-R576 VanDerWaalsContact O-N 3.17Å; A573-L577 VanDerWaalsContact O-CG 3.26Å; A573-L577 WeakPolarHBondContact O-CG 3.38Å; A573-L577 PolarHBondContact O-N 3.15Å
574	L	96.8	Very high	90.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-40	177	-71.9	167.7	0	0	0	112.3	V530 V534 R544 I547 V570 S571 R576 L577 Q578 V586 W595	V530-L574 HydrophobicContact CG1-CD2 3.56Å; V530-L574 HydrophobicContact CG1-CG 3.72Å; V534-L574 HydrophobicContact CG2-CD2 3.69Å; R544-L574 HydrophobicContact CG-CD1 4.35Å; I547-L574 HydrophobicContact CD1-CD1 3.96Å; I547-L574 HydrophobicContact CD1-CD2 4.07Å; V570-L574 HydrophobicContact CG1-CD1 3.94Å; V570-L574 HydrophobicContact CG1-CG 4.46Å; V570-L574 WeakPolarHBondContact O-CG 3.41Å; V570-L574 PolarHBondContact O-N 3.45Å; S571-L574 PolarHBondContact O-N 3.22Å; L574-R576 PolarHBondContact O-N 3.39Å; L574-L577 PolarHBondContact O-N 2.93Å; L574-L577 VanDerWaalsContact O-N 3.17Å; L574-Q578 PolarHBondContact O-N 3.23Å; L574-V586 HydrophobicContact CD2-CG2 4.35Å; L574-W595 HydrophobicContact CB-CD2 4.47Å; L574-W595 HydrophobicContact CB-CE3 4.3Å; L574-W595 HydrophobicContact CB-CH2 3.71Å; L574-W595 HydrophobicContact CB-CZ2 3.89Å; L574-W595 HydrophobicContact CB-CZ3 3.92Å; L574-W595 HydrophobicContact CD1-CD2 4.02Å; L574-W595 HydrophobicContact CD1-CG 4.32Å; L574-W595 HydrophobicContact CD1-CZ2 4.12Å; L574-W595 HydrophobicContact CD2-CD2 4.13Å; L574-W595 HydrophobicContact CD2-CE3 4.04Å; L574-W595 HydrophobicContact CD2-CZ3 4.44Å; L574-W595 HydrophobicContact CG-CD2 4.43Å
575	D	94	Very high	90.2	Very high	94 Å²	94	47.4 Å²	47.4	50%	0.503	26%	0.258	S	S	.	.	H	α-helix	trans	-61.6	-41.5	175.7	-172.5	51.2	0	0	0	112.9	S571 A573 L577 Q578 G579	S571-D575 PolarHBondContact O-N 3.16Å; A573-D575 VanDerWaalsContact C-N 3.3Å; A573-D575 PolarHBondContact O-N 3.2Å; D575-L577 VanDerWaalsContact C-N 3.32Å; D575-L577 PolarHBondContact O-N 3.02Å; D575-Q578 WeakPolarHBondContact O-CG 3.37Å; D575-Q578 PolarHBondContact OD1-NE2 3.45Å; D575-G579 PolarHBondContact O-N 3.3Å
576	R	91.7	Very high	90.2	Very high	173 Å²	173	44.2 Å²	44.2	65%	0.653	24%	0.243	S	C	*	.	H	α-helix	trans	-66.7	-32.2	174.2	-66	163.5	-162.6	-133.7	-0.1	112.7	S572 A573 L574 E580	S572-R576 WeakPolarHBondContact O-CD 3.41Å; S572-R576 WeakPolarHBondContact O-CG 3.47Å; S572-R576 PolarHBondContact O-N 3.35Å; S572-R576 PolarHBondContact O-NE 2.94Å; S572-R576 PolarHBondContact OG-NE 3.49Å; S572-R576 PolarHBondContact OG-NH2 3.17Å; A573-R576 PolarHBondContact O-N 2.77Å; A573-R576 VanDerWaalsContact O-N 3.17Å; L574-R576 PolarHBondContact O-N 3.39Å; R576-E580 VanDerWaalsContact O-CG 3.22Å; R576-E580 WeakPolarHBondContact O-CG 3.41Å
577	L	92.7	Very high	90	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-80.5	-24.4	-179	-66.5	167.1	0	0	0	113.6	A527 V530 R531 A573 L574 D575 E580 S585 V586	A527-L577 HydrophobicContact CB-CD2 4.38Å; A527-L577 WeakPolarHBondContact O-CD1 3.45Å; V530-L577 HydrophobicContact CB-CD1 4.31Å; V530-L577 HydrophobicContact CG1-CD1 3.84Å; R531-L577 HydrophobicContact CB-CD1 3.85Å; R531-L577 HydrophobicContact CB-CD2 3.95Å; R531-L577 HydrophobicContact CG-CD2 4.34Å; A573-L577 VanDerWaalsContact O-CG 3.26Å; A573-L577 WeakPolarHBondContact O-CG 3.38Å; A573-L577 PolarHBondContact O-N 3.15Å; L574-L577 PolarHBondContact O-N 2.93Å; L574-L577 VanDerWaalsContact O-N 3.17Å; D575-L577 VanDerWaalsContact C-N 3.32Å; D575-L577 PolarHBondContact O-N 3.02Å; L577-E580 WeakPolarHBondContact O-CG 3.43Å; L577-E580 VanDerWaalsContact O-OE2 3.06Å; L577-S585 PolarHBondContact O-N 3.44Å; L577-V586 HydrophobicContact CB-CG1 4.36Å; L577-V586 HydrophobicContact CB-CG2 3.55Å; L577-V586 HydrophobicContact CD1-CG1 4.48Å
578	Q	92.2	Very high	89.9	Confident	74 Å²	74	45.2 Å²	45.2	35%	0.346	25%	0.245	S	C	.	.	H	α-helix	trans	-81.1	-29	170	63.5	-178.4	3.5	0	0	112.2	L574 D575 E580 V586 W595	L574-Q578 PolarHBondContact O-N 3.23Å; D575-Q578 WeakPolarHBondContact O-CG 3.37Å; D575-Q578 PolarHBondContact OD1-NE2 3.45Å; Q578-E580 VanDerWaalsContact C-N 3.33Å; Q578-E580 PolarHBondContact O-N 2.97Å; Q578-V586 HydrophobicContact CB-CG2 4.23Å; Q578-W595 HydrophobicContact CB-CZ3 4.44Å
579	G	83.5	Confident	89.7	Confident	57 Å²	57	39.4 Å²	39.4	59%	0.588	22%	0.218	S	C	*	.			trans	-82.6	8.9	179.8	0	0	0	0	0	116.3	D575 T581	D575-G579 PolarHBondContact O-N 3.3Å; G579-T581 PolarHBondContact O-N 3.45Å
580	E	79.7	Confident	89.5	Confident	33 Å²	33	43.6 Å²	43.6	15%	0.154	24%	0.238	C	C	.	.			trans	-73.9	106.5	-174.8	-48.2	177.5	110	0	0	111.1	R485 R576 L577 Q578 S582 D583 P584 S585	R485-E580 WeakPolarHBondContact CD-OE1 3.44Å; R485-E580 IonicContact CZ-OE1 3.43Å; R485-E580 IonicContact CZ-OE2 3.69Å; R485-E580 IonicContact NE-OE1 2.72Å; R485-E580 PolarHBondContact NE-OE1 3.22Å; R485-E580 IonicContact NE-OE2 3.18Å; R485-E580 IonicContact NH2-OE1 2.8Å; R485-E580 PolarHBondContact NH2-OE1 3.06Å; R485-E580 IonicContact NH2-OE2 2.9Å; R485-E580 PolarHBondContact NH2-OE2 3.4Å; R576-E580 VanDerWaalsContact O-CG 3.22Å; R576-E580 WeakPolarHBondContact O-CG 3.41Å; L577-E580 WeakPolarHBondContact O-CG 3.43Å; L577-E580 VanDerWaalsContact O-OE2 3.06Å; Q578-E580 VanDerWaalsContact C-N 3.33Å; Q578-E580 PolarHBondContact O-N 2.97Å; E580-S582 PolarHBondContact O-N 3.14Å; E580-S582 VanDerWaalsContact O-N 3.13Å; E580-D583 PolarHBondContact O-N 3.01Å; E580-P584 WeakPolarHBondContact O-CD 3.29Å; E580-P584 VanDerWaalsContact O-CG 3.27Å; E580-P584 WeakPolarHBondContact O-CG 3.46Å; E580-S585 WeakPolarHBondContact OE2-CB 3.34Å; E580-S585 PolarHBondContact OE2-N 3.43Å; E580-S585 PolarHBondContact OE2-OG 3.45Å
581	T	67.9	Low	89.1	Confident	73 Å²	73	50.2 Å²	50.2	45%	0.448	27%	0.274	S	S	.	.	S	Bend	trans	-52.1	-45.5	-159.3	-43.2	0	0	0	0	116.5	L276 G579	L276-T581 HydrophobicContact CD2-CG2 3.81Å; G579-T581 PolarHBondContact O-N 3.45Å
582	S	70.2	Confident	88.7	Confident	41 Å²	41	54.1 Å²	54.1	29%	0.287	28%	0.283	S	S	.	.	S	Bend	trans	-91.8	-27.5	-173.5	40.1	0	0	0	0	114.7	E253 E580	E253-S582 VanDerWaalsContact OE2-CB 3.23Å; E253-S582 WeakPolarHBondContact OE2-CB 3.41Å; E253-S582 PolarHBondContact OE2-OG 3.41Å; E580-S582 PolarHBondContact O-N 3.14Å; E580-S582 VanDerWaalsContact O-N 3.13Å
583	D	81	Confident	88.6	Confident	30 Å²	30	61.1 Å²	61.1	16%	0.16	30%	0.303	C	S	.	.			trans	-160.6	77.7	-175.8	-179.1	44.6	0	0	0	111.9	R485 E580 S585 H599 R602	R485-D583 PolarHBondContact NH2-O 3.28Å; E580-D583 PolarHBondContact O-N 3.01Å; D583-S585 PolarHBondContact O-N 3.25Å; D583-H599 IonicContact OD1-CD2 3.22Å; D583-H599 IonicContact OD1-CE1 2.76Å; D583-H599 IonicContact OD1-NE2 3.74Å; D583-H599 PolarHBondContact OD1-NE2 3.5Å; D583-H599 IonicContact OD2-CE1 3.25Å; D583-H599 PolarHBondContact OD2-CE1 3.37Å; D583-H599 IonicContact OD2-NE2 2.78Å; D583-H599 PolarHBondContact OD2-NE2 2.83Å; D583-H599 VanDerWaalsContact OD2-NE2 3.12Å; D583-R602 IonicContact OD1-CZ 3.82Å; D583-R602 IonicContact OD1-NH1 2.7Å; D583-R602 PolarHBondContact OD1-NH1 3.16Å; D583-R602 IonicContact OD1-NH2 3.89Å; D583-R602 PolarHBondContact OD1-NH2 2.67Å; D583-R602 IonicContact OD2-CZ 2.82Å; D583-R602 IonicContact OD2-NH1 2.88Å; D583-R602 PolarHBondContact OD2-NH1 3.43Å; D583-R602 IonicContact OD2-NH2 2.67Å
584	P	88.6	Confident	88.5	Confident	20 Å²	20	63.2 Å²	63.2	13%	0.13	31%	0.312	C	S	.	.			trans	-57.2	130.8	176.3	-22.3	31	0	0	0	112.1	E580 R598 H599	E580-P584 WeakPolarHBondContact O-CD 3.29Å; E580-P584 VanDerWaalsContact O-CG 3.27Å; E580-P584 WeakPolarHBondContact O-CG 3.46Å; P584-R598 WeakPolarHBondContact O-CD 3.19Å; P584-H599 PolarHBondContact O-NE2 3.35Å
585	S	91.7	Very high	88.5	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-80.3	-25.7	178.2	52.2	0	0	0	0	113.4	L577 E580 D583 Y597 R598	L577-S585 PolarHBondContact O-N 3.44Å; E580-S585 WeakPolarHBondContact OE2-CB 3.34Å; E580-S585 PolarHBondContact OE2-N 3.43Å; E580-S585 PolarHBondContact OE2-OG 3.45Å; D583-S585 PolarHBondContact O-N 3.25Å; S585-Y597 VanDerWaalsContact O-CD2 3.26Å; S585-Y597 WeakPolarHBondContact O-CD2 3.48Å; S585-R598 PolarHBondContact O-N 2.89Å
586	V	93.9	Very high	88.5	Confident	2 Å²	2	60 Å²	60	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	161.1	179.4	-52.1	0	0	0	0	112.3	V534 L574 L577 Q578 W595 I596 R598	V534-V586 HydrophobicContact CB-CG1 4.03Å; V534-V586 HydrophobicContact CG1-CG1 4.12Å; V534-V586 HydrophobicContact CG2-CG1 3.83Å; L574-V586 HydrophobicContact CD2-CG2 4.35Å; L577-V586 HydrophobicContact CB-CG1 4.36Å; L577-V586 HydrophobicContact CB-CG2 3.55Å; L577-V586 HydrophobicContact CD1-CG1 4.48Å; Q578-V586 HydrophobicContact CB-CG2 4.23Å; V586-W595 HydrophobicContact CB-CE3 4.33Å; V586-W595 HydrophobicContact CG2-CE3 4.02Å; V586-W595 HydrophobicContact CG2-CZ3 3.93Å; V586-I596 CarbonylContact C-O 3.58Å; V586-I596 WeakPolarHBondContact CA-O 3.36Å; V586-R598 WeakPolarHBondContact O-CD 3.33Å
587	Y	92.9	Very high	88.7	Confident	44 Å²	44	52 Å²	52	17%	0.173	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.2	174.2	166.6	-111.4	0	0	0	109.7	I433 N589 W595 I596	I433-Y587 HydrophobicContact CD1-CD1 4.43Å; I433-Y587 HydrophobicContact CD1-CE1 4.08Å; Y587-N589 HydrophobicContact CD1-CB 4.2Å; Y587-N589 HydrophobicContact CE1-CB 3.72Å; Y587-W595 CarbonylContact O-C 3.59Å; Y587-W595 WeakPolarHBondContact O-CA 3.43Å; Y587-I596 PolarHBondContact N-O 3.05Å; Y587-I596 PolarHBondContact O-N 2.86Å
588	F	94.9	Very high	88.6	Confident	65 Å²	65	54.3 Å²	54.3	29%	0.285	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	109.2	170	-176.4	-106.8	0	0	0	110.9	N590 R593 W595	F588-N590 HydrophobicContact CE1-CB 4.38Å; F588-N590 PolarHBondContact O-N 3.38Å; F588-R593 HydrophobicContact CZ-CB 4.34Å; F588-W595 HydrophobicContact CB-CD2 4.17Å; F588-W595 HydrophobicContact CB-CE3 3.98Å; F588-W595 HydrophobicContact CB-CH2 3.91Å; F588-W595 HydrophobicContact CB-CZ2 4.09Å; F588-W595 HydrophobicContact CB-CZ3 3.86Å; F588-W595 AromaticContact CD2-CD1 3.94Å; F588-W595 AromaticContact CD2-CD2 3.93Å; F588-W595 HydrophobicContact CD2-CD2 3.93Å; F588-W595 AromaticContact CD2-CE2 3.65Å; F588-W595 HydrophobicContact CD2-CG 4.1Å; F588-W595 HydrophobicContact CD2-CZ2 4.11Å; F588-W595 AromaticContact CD2-NE1 3.65Å; F588-W595 HydrophobicContact CG-CZ2 4.32Å
589	N	92.1	Very high	88.6	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	102.2	175.8	-174.4	-43.3	0	0	0	109.6	D430 I433 Y587 N591 R592 R593 M594 I596	D430-N589 PolarHBondContact OD1-ND2 3.47Å; I433-N589 WeakPolarHBondContact CD1-ND2 3.22Å; Y587-N589 HydrophobicContact CD1-CB 4.2Å; Y587-N589 HydrophobicContact CE1-CB 3.72Å; N589-N591 VanDerWaalsContact C-N 3.29Å; N589-N591 PolarHBondContact O-N 3.26Å; N589-N591 PolarHBondContact OD1-N 2.92Å; N589-N591 VanDerWaalsContact OD1-N 3.17Å; N589-R592 HydrophobicContact CB-CB 4.35Å; N589-R592 PolarHBondContact O-N 3Å; N589-R592 PolarHBondContact OD1-N 3.24Å; N589-R593 VanDerWaalsContact O-CA 3.24Å; N589-R593 WeakPolarHBondContact O-CA 3.2Å; N589-R593 PolarHBondContact O-N 2.63Å; N589-M594 WeakPolarHBondContact CB-O 3.33Å; N589-M594 PolarHBondContact N-O 3.35Å; N589-M594 PolarHBondContact O-N 3.11Å; N589-I596 HydrophobicContact CB-CD1 3.69Å; N589-I596 HydrophobicContact CB-CG1 4.31Å
590	N	90.9	Very high	89	Confident	117 Å²	117	49.9 Å²	49.9	63%	0.626	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.6	-175.8	-164.9	44.9	0	0	0	113.3	F588	F588-N590 HydrophobicContact CE1-CB 4.38Å; F588-N590 PolarHBondContact O-N 3.38Å
591	N	88.3	Confident	89.4	Confident	139 Å²	139	55.1 Å²	55.1	74%	0.743	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-44.8	179.3	-61.9	-20.8	0	0	0	111.3	N589	N589-N591 VanDerWaalsContact C-N 3.29Å; N589-N591 PolarHBondContact O-N 3.26Å; N589-N591 PolarHBondContact OD1-N 2.92Å; N589-N591 VanDerWaalsContact OD1-N 3.17Å
592	R	89	Confident	90.5	Very high	117 Å²	117	52.6 Å²	52.6	44%	0.442	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-18.8	177.3	-59.1	-179.8	-176	-140.6	-4.3	112.7	D430 E541 N589 M594	D430-R592 IonicContact OD1-CZ 2.7Å; D430-R592 IonicContact OD1-NE 2.74Å; D430-R592 PolarHBondContact OD1-NE 2.82Å; D430-R592 IonicContact OD1-NH2 3.15Å; D430-R592 IonicContact OD2-CZ 2.72Å; D430-R592 IonicContact OD2-NE 3.53Å; D430-R592 PolarHBondContact OD2-NE 2.9Å; D430-R592 IonicContact OD2-NH2 2.69Å; D430-R592 PolarHBondContact OD2-NH2 3.48Å; E541-R592 IonicContact OE1-NH1 2.7Å; E541-R592 PolarHBondContact OE1-NH1 3.2Å; E541-R592 IonicContact OE2-NH1 2.89Å; N589-R592 HydrophobicContact CB-CB 4.35Å; N589-R592 PolarHBondContact O-N 3Å; N589-R592 PolarHBondContact OD1-N 3.24Å; R592-M594 HydrophobicContact CB-CB 4.21Å; R592-M594 HydrophobicContact CB-CG 3.94Å; R592-M594 WeakPolarHBondContact O-CG 3.49Å; R592-M594 PolarHBondContact O-N 2.9Å
593	R	92.5	Very high	91.4	Very high	195 Å²	195	53.1 Å²	53.1	74%	0.736	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	30.6	-168.7	-54.6	178.7	67.8	-168.1	1.2	113.6	F588 N589	F588-R593 HydrophobicContact CZ-CB 4.34Å; N589-R593 VanDerWaalsContact O-CA 3.24Å; N589-R593 WeakPolarHBondContact O-CA 3.2Å; N589-R593 PolarHBondContact O-N 2.63Å
594	M	94.1	Very high	91.9	Very high	49 Å²	49	55.4 Å²	55.4	24%	0.241	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	146.1	-175.5	-60.4	-61.7	-106.4	0	0	111.4	G542 T543 N589 R592	G542-M594 VanDerWaalsContact C-SD 3.57Å; G542-M594 VanDerWaalsContact CA-CE 3.47Å; T543-M594 HydrophobicContact CG2-CE 4.22Å; T543-M594 HydrophobicContact CG2-SD 3.56Å; T543-M594 VanDerWaalsContact CG2-SD 3.56Å; N589-M594 WeakPolarHBondContact CB-O 3.33Å; N589-M594 PolarHBondContact N-O 3.35Å; N589-M594 PolarHBondContact O-N 3.11Å; R592-M594 HydrophobicContact CB-CB 4.21Å; R592-M594 HydrophobicContact CB-CG 3.94Å; R592-M594 WeakPolarHBondContact O-CG 3.49Å; R592-M594 PolarHBondContact O-N 2.9Å
595	W	96	Very high	92	Very high	27 Å²	27	60 Å²	60	10%	0.102	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	144.1	161.7	-69.8	91.9	0	0	0	109.8	V534 E541 G542 I547 L574 Q578 V586 Y587 F588	V534-W595 HydrophobicContact CG1-CB 4.45Å; E541-W595 VanDerWaalsContact CA-O 3.28Å; E541-W595 WeakPolarHBondContact CA-O 3.45Å; G542-W595 PolarHBondContact N-O 3.07Å; G542-W595 PolarHBondContact O-N 3.43Å; I547-W595 HydrophobicContact CD1-CB 3.61Å; I547-W595 HydrophobicContact CD1-CG 3.78Å; L574-W595 HydrophobicContact CB-CD2 4.47Å; L574-W595 HydrophobicContact CB-CE3 4.3Å; L574-W595 HydrophobicContact CB-CH2 3.71Å; L574-W595 HydrophobicContact CB-CZ2 3.89Å; L574-W595 HydrophobicContact CB-CZ3 3.92Å; L574-W595 HydrophobicContact CD1-CD2 4.02Å; L574-W595 HydrophobicContact CD1-CG 4.32Å; L574-W595 HydrophobicContact CD1-CZ2 4.12Å; L574-W595 HydrophobicContact CD2-CD2 4.13Å; L574-W595 HydrophobicContact CD2-CE3 4.04Å; L574-W595 HydrophobicContact CD2-CZ3 4.44Å; L574-W595 HydrophobicContact CG-CD2 4.43Å; Q578-W595 HydrophobicContact CB-CZ3 4.44Å; V586-W595 HydrophobicContact CB-CE3 4.33Å; V586-W595 HydrophobicContact CG2-CE3 4.02Å; V586-W595 HydrophobicContact CG2-CZ3 3.93Å; Y587-W595 CarbonylContact O-C 3.59Å; Y587-W595 WeakPolarHBondContact O-CA 3.43Å; F588-W595 HydrophobicContact CB-CD2 4.17Å; F588-W595 HydrophobicContact CB-CE3 3.98Å; F588-W595 HydrophobicContact CB-CH2 3.91Å; F588-W595 HydrophobicContact CB-CZ2 4.09Å; F588-W595 HydrophobicContact CB-CZ3 3.86Å; F588-W595 AromaticContact CD2-CD1 3.94Å; F588-W595 AromaticContact CD2-CD2 3.93Å; F588-W595 HydrophobicContact CD2-CD2 3.93Å; F588-W595 AromaticContact CD2-CE2 3.65Å; F588-W595 HydrophobicContact CD2-CG 4.1Å; F588-W595 HydrophobicContact CD2-CZ2 4.11Å; F588-W595 AromaticContact CD2-NE1 3.65Å; F588-W595 HydrophobicContact CG-CZ2 4.32Å
596	I	94.5	Very high	91.8	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.9	-177.8	-55.3	-178.7	0	0	0	109.2	I433 G540 E541 V586 Y587 N589 R598	I433-I596 HydrophobicContact CD1-CD1 3.89Å; I433-I596 HydrophobicContact CG2-CD1 4.23Å; I433-I596 HydrophobicContact CG2-CG2 3.92Å; G540-I596 CarbonylContact O-C 3.4Å; G540-I596 WeakPolarHBondContact O-CA 3.32Å; E541-I596 HydrophobicContact CB-CG1 3.91Å; V586-I596 CarbonylContact C-O 3.58Å; V586-I596 WeakPolarHBondContact CA-O 3.36Å; Y587-I596 PolarHBondContact N-O 3.05Å; Y587-I596 PolarHBondContact O-N 2.86Å; N589-I596 HydrophobicContact CB-CD1 3.69Å; N589-I596 HydrophobicContact CB-CG1 4.31Å; I596-R598 PolarHBondContact O-N 2.86Å
597	Y	95.4	Very high	91.7	Very high	3 Å²	3	63 Å²	63	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	107.3	169.8	-173.7	-122.9	0	0	0	109.3	R531 A535 G540 S585 H599 R600 F607	R531-Y597 HydrophobicContact CG-CE2 4.2Å; A535-Y597 HydrophobicContact CB-CD1 3.44Å; A535-Y597 VanDerWaalsContact CB-CD1 3.44Å; A535-Y597 HydrophobicContact CB-CD2 3.95Å; A535-Y597 HydrophobicContact CB-CE1 3.44Å; A535-Y597 VanDerWaalsContact CB-CE1 3.44Å; A535-Y597 HydrophobicContact CB-CE2 3.96Å; A535-Y597 HydrophobicContact CB-CG 3.71Å; G540-Y597 PolarHBondContact O-N 3.24Å; S585-Y597 VanDerWaalsContact O-CD2 3.26Å; S585-Y597 WeakPolarHBondContact O-CD2 3.48Å; Y597-H599 HydrophobicContact CD1-CB 4.37Å; Y597-H599 HydrophobicContact CE1-CB 3.77Å; Y597-H599 HydrophobicContact CE2-CB 4.3Å; Y597-H599 PolarHBondContact O-N 3Å; Y597-R600 HydrophobicContact CD1-CB 4.02Å; Y597-R600 VanDerWaalsContact O-CB 3.31Å; Y597-R600 WeakPolarHBondContact O-CB 3.45Å; Y597-R600 VanDerWaalsContact O-CG 3.24Å; Y597-R600 WeakPolarHBondContact O-CG 3.37Å; Y597-R600 PolarHBondContact O-N 3.46Å; Y597-F607 HydrophobicContact CE1-CZ 4.45Å; Y597-F607 WeakPolarHBondContact OH-CZ 3.42Å
598	R	91.7	Very high	91.5	Very high	52 Å²	52	62.7 Å²	62.7	20%	0.196	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.9	-173.1	-61	-172	76.3	-158.8	1.2	112.4	Y428 P434 P584 S585 V586 I596 R600	Y428-R598 VanDerWaalsContact CE1-NH2 3.34Å; Y428-R598 PolarHBondContact OH-NH2 2.7Å; P434-R598 WeakPolarHBondContact CG-O 3.45Å; P584-R598 WeakPolarHBondContact O-CD 3.19Å; S585-R598 PolarHBondContact O-N 2.89Å; V586-R598 WeakPolarHBondContact O-CD 3.33Å; I596-R598 PolarHBondContact O-N 2.86Å; R598-R600 VanDerWaalsContact C-N 3.3Å; R598-R600 PolarHBondContact O-N 3.05Å
599	H	91.7	Very high	91	Very high	12 Å²	12	63.8 Å²	63.8	6%	0.056	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	7.4	-176.6	-52.7	161.9	0	0	0	113.7	D583 P584 Y597 R601 R602 F607	D583-H599 IonicContact OD1-CD2 3.22Å; D583-H599 IonicContact OD1-CE1 2.76Å; D583-H599 IonicContact OD1-NE2 3.74Å; D583-H599 PolarHBondContact OD1-NE2 3.5Å; D583-H599 IonicContact OD2-CE1 3.25Å; D583-H599 PolarHBondContact OD2-CE1 3.37Å; D583-H599 IonicContact OD2-NE2 2.78Å; D583-H599 PolarHBondContact OD2-NE2 2.83Å; D583-H599 VanDerWaalsContact OD2-NE2 3.12Å; P584-H599 PolarHBondContact O-NE2 3.35Å; Y597-H599 HydrophobicContact CD1-CB 4.37Å; Y597-H599 HydrophobicContact CE1-CB 3.77Å; Y597-H599 HydrophobicContact CE2-CB 4.3Å; Y597-H599 PolarHBondContact O-N 3Å; H599-R601 PolarHBondContact O-N 3.4Å; H599-R602 HydrophobicContact CB-CG 4.41Å; H599-R602 VanDerWaalsContact CD2-CZ 3.43Å; H599-R602 PolarHBondContact CD2-NH1 2.98Å; H599-R602 VanDerWaalsContact CD2-NH1 3.26Å; H599-R602 PolarHBondContact CE1-NH1 3.37Å; H599-R602 VanDerWaalsContact CE1-NH1 3.29Å; H599-R602 PolarHBondContact NE2-NH1 2.89Å; H599-R602 VanDerWaalsContact NE2-NH1 3.14Å; H599-R602 WeakPolarHBondContact O-CB 3.37Å; H599-R602 PolarHBondContact O-N 3.02Å; H599-F607 HydrophobicContact CB-CE1 3.87Å; H599-F607 HydrophobicContact CB-CZ 3.58Å; H599-F607 AromaticContact ND1-CE1 3.88Å
600	R	91.3	Very high	90.7	Very high	27 Å²	27	65.4 Å²	65.4	10%	0.102	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-4.9	-175.5	66.9	178.9	-178.6	-173.1	-1.2	117.3	P434 P436 L437 N539 E541 Y597 R598	P434-R600 PolarHBondContact O-NE 2.96Å; P434-R600 PolarHBondContact O-NH2 3.4Å; P436-R600 CarbonylContact C-O 3.54Å; L437-R600 WeakPolarHBondContact CB-O 3.34Å; L437-R600 PolarHBondContact N-O 3.28Å; N539-R600 WeakPolarHBondContact O-CD 3.29Å; N539-R600 PolarHBondContact O-NH1 2.96Å; E541-R600 IonicContact OE2-CZ 2.77Å; E541-R600 IonicContact OE2-NH1 3.55Å; E541-R600 PolarHBondContact OE2-NH1 3.11Å; E541-R600 IonicContact OE2-NH2 3.37Å; E541-R600 PolarHBondContact OE2-NH2 3.03Å; Y597-R600 HydrophobicContact CD1-CB 4.02Å; Y597-R600 VanDerWaalsContact O-CB 3.31Å; Y597-R600 WeakPolarHBondContact O-CB 3.45Å; Y597-R600 VanDerWaalsContact O-CG 3.24Å; Y597-R600 WeakPolarHBondContact O-CG 3.37Å; Y597-R600 PolarHBondContact O-N 3.46Å; R598-R600 VanDerWaalsContact C-N 3.3Å; R598-R600 PolarHBondContact O-N 3.05Å
601	R	89.6	Confident	90.5	Very high	143 Å²	143	60.1 Å²	60.1	54%	0.54	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-9.4	176	-159	-178.3	172.1	-158.7	-2.3	113.7	P434 P435 H599	P434-R601 HydrophobicContact CB-CB 3.94Å; P434-R601 HydrophobicContact CG-CB 4.45Å; P435-R601 WeakPolarHBondContact O-CB 3.29Å; P435-R601 WeakPolarHBondContact O-CG 3.39Å; H599-R601 PolarHBondContact O-N 3.4Å
602	R	89.6	Confident	90.2	Very high	20 Å²	20	56.7 Å²	56.7	8%	0.075	25%	0.249	C	C	.	.			trans	-73.8	133.6	179.7	-68.2	-173.2	-177.8	156.3	4.5	109.8	E257 D583 H599 K606 F607	E257-R602 IonicContact OE2-CZ 2.74Å; E257-R602 IonicContact OE2-NE 3.54Å; E257-R602 PolarHBondContact OE2-NE 3.33Å; E257-R602 IonicContact OE2-NH2 2.94Å; E257-R602 PolarHBondContact OE2-NH2 3.47Å; D583-R602 IonicContact OD1-CZ 3.82Å; D583-R602 IonicContact OD1-NH1 2.7Å; D583-R602 PolarHBondContact OD1-NH1 3.16Å; D583-R602 IonicContact OD1-NH2 3.89Å; D583-R602 PolarHBondContact OD1-NH2 2.67Å; D583-R602 IonicContact OD2-CZ 2.82Å; D583-R602 IonicContact OD2-NH1 2.88Å; D583-R602 PolarHBondContact OD2-NH1 3.43Å; D583-R602 IonicContact OD2-NH2 2.67Å; H599-R602 HydrophobicContact CB-CG 4.41Å; H599-R602 VanDerWaalsContact CD2-CZ 3.43Å; H599-R602 PolarHBondContact CD2-NH1 2.98Å; H599-R602 VanDerWaalsContact CD2-NH1 3.26Å; H599-R602 PolarHBondContact CE1-NH1 3.37Å; H599-R602 VanDerWaalsContact CE1-NH1 3.29Å; H599-R602 PolarHBondContact NE2-NH1 2.89Å; H599-R602 VanDerWaalsContact NE2-NH1 3.14Å; H599-R602 WeakPolarHBondContact O-CB 3.37Å; H599-R602 PolarHBondContact O-N 3.02Å; R602-K606 HydrophobicContact CG-CG 4.46Å; R602-F607 HydrophobicContact CB-CD2 3.93Å; R602-F607 HydrophobicContact CB-CE1 4.26Å; R602-F607 HydrophobicContact CB-CE2 3.63Å; R602-F607 HydrophobicContact CB-CG 4.38Å; R602-F607 HydrophobicContact CB-CZ 3.83Å
603	T	90.9	Very high	89.9	Confident	52 Å²	52	52.6 Å²	52.6	32%	0.319	24%	0.241	S	C	.	.			trans	-80	168.9	173.5	69.1	0	0	0	0	110.7	L437 E605 K606 F607	L437-T603 HydrophobicContact CD1-CG2 4.32Å; L437-T603 HydrophobicContact CD2-CG2 4.34Å; T603-E605 VanDerWaalsContact C-N 3.32Å; T603-E605 WeakPolarHBondContact CB-OE2 3.49Å; T603-E605 PolarHBondContact O-N 2.89Å; T603-E605 PolarHBondContact OG1-OE2 2.84Å; T603-K606 PolarHBondContact O-N 2.91Å; T603-K606 PolarHBondContact OG1-N 3.31Å; T603-F607 WeakPolarHBondContact O-CD2 3.49Å; T603-F607 PolarHBondContact O-N 3.03Å; T603-F607 VanDerWaalsContact O-N 3.12Å
604	F	90.8	Very high	89.5	Confident	78 Å²	78	46.2 Å²	46.2	34%	0.342	22%	0.217	S	C	.	.	H	α-helix	trans	-56	-48.2	177.6	-174.6	-80.6	0	0	0	111.1	P469 V471 V480 K606 F607 A608	P469-F604 HydrophobicContact CB-CD1 4.38Å; P469-F604 HydrophobicContact CB-CD2 3.7Å; P469-F604 HydrophobicContact CB-CE1 4.45Å; P469-F604 HydrophobicContact CB-CE2 3.8Å; P469-F604 HydrophobicContact CB-CG 4Å; P469-F604 HydrophobicContact CB-CZ 4.17Å; P469-F604 HydrophobicContact CG-CD1 4.07Å; P469-F604 HydrophobicContact CG-CD2 4.27Å; P469-F604 HydrophobicContact CG-CE1 4.01Å; P469-F604 HydrophobicContact CG-CE2 4.23Å; P469-F604 HydrophobicContact CG-CG 4.19Å; P469-F604 HydrophobicContact CG-CZ 4.09Å; P469-F604 VanDerWaalsContact CG-O 3.25Å; P469-F604 WeakPolarHBondContact CG-O 3.42Å; P469-F604 WeakPolarHBondContact O-CE2 3.2Å; V471-F604 HydrophobicContact CG2-CD2 4.07Å; V480-F604 HydrophobicContact CG1-CB 4.43Å; F604-K606 VanDerWaalsContact C-N 3.31Å; F604-K606 PolarHBondContact O-N 3.08Å; F604-F607 PolarHBondContact O-N 2.88Å; F604-A608 PolarHBondContact O-N 3.21Å
605	E	90	Very high	89	Confident	116 Å²	116	44.9 Å²	44.9	54%	0.542	21%	0.212	S	C	.	.	H	α-helix	trans	-63.2	-38.5	-179.2	-43	69.7	-141.4	0	0	110.9	T603 F607 A608 E609	T603-E605 VanDerWaalsContact C-N 3.32Å; T603-E605 WeakPolarHBondContact CB-OE2 3.49Å; T603-E605 PolarHBondContact O-N 2.89Å; T603-E605 PolarHBondContact OG1-OE2 2.84Å; E605-F607 PolarHBondContact O-N 3.46Å; E605-A608 WeakPolarHBondContact O-CB 3.27Å; E605-A608 PolarHBondContact O-N 3.25Å; E605-E609 WeakPolarHBondContact O-CB 3.32Å; E605-E609 PolarHBondContact O-N 3.06Å
606	K	88.7	Confident	88.3	Confident	54 Å²	54	45 Å²	45	24%	0.235	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-35.5	178.6	-171.6	51.4	171.6	179.3	0	112.3	R602 T603 F604 E609 L610	R602-K606 HydrophobicContact CG-CG 4.46Å; T603-K606 PolarHBondContact O-N 2.91Å; T603-K606 PolarHBondContact OG1-N 3.31Å; F604-K606 VanDerWaalsContact C-N 3.31Å; F604-K606 PolarHBondContact O-N 3.08Å; K606-E609 WeakPolarHBondContact CD-OE2 3.14Å; K606-E609 IonicContact NZ-OE1 3.18Å; K606-E609 PolarHBondContact NZ-OE1 2.64Å; K606-E609 IonicContact NZ-OE2 3.23Å; K606-E609 PolarHBondContact NZ-OE2 2.88Å; K606-L610 HydrophobicContact CD-CD1 4.35Å; K606-L610 HydrophobicContact CD-CG 4.27Å; K606-L610 HydrophobicContact CG-CD1 4.16Å; K606-L610 WeakPolarHBondContact O-CB 3.34Å; K606-L610 VanDerWaalsContact O-CG 3.24Å; K606-L610 WeakPolarHBondContact O-CG 3.46Å; K606-L610 PolarHBondContact O-N 2.92Å; K606-L610 VanDerWaalsContact O-N 3.09Å
607	F	90.7	Very high	87.8	Confident	11 Å²	11	45.3 Å²	45.3	5%	0.048	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-36.3	171.8	-80.5	-64.4	0	0	0	112.6	P469 V480 G482 Y597 H599 R602 T603 F604 E605 H611	P469-F607 HydrophobicContact CB-CB 3.84Å; P469-F607 HydrophobicContact CG-CB 3.81Å; V480-F607 HydrophobicContact CB-CE2 4.21Å; V480-F607 HydrophobicContact CG1-CD2 3.72Å; V480-F607 HydrophobicContact CG1-CE2 3.77Å; G482-F607 VanDerWaalsContact CA-CG 3.47Å; Y597-F607 HydrophobicContact CE1-CZ 4.45Å; Y597-F607 WeakPolarHBondContact OH-CZ 3.42Å; H599-F607 HydrophobicContact CB-CE1 3.87Å; H599-F607 HydrophobicContact CB-CZ 3.58Å; H599-F607 AromaticContact ND1-CE1 3.88Å; R602-F607 HydrophobicContact CB-CD2 3.93Å; R602-F607 HydrophobicContact CB-CE1 4.26Å; R602-F607 HydrophobicContact CB-CE2 3.63Å; R602-F607 HydrophobicContact CB-CG 4.38Å; R602-F607 HydrophobicContact CB-CZ 3.83Å; T603-F607 WeakPolarHBondContact O-CD2 3.49Å; T603-F607 PolarHBondContact O-N 3.03Å; T603-F607 VanDerWaalsContact O-N 3.12Å; F604-F607 PolarHBondContact O-N 2.88Å; E605-F607 PolarHBondContact O-N 3.46Å; F607-H611 VanDerWaalsContact O-CB 3.31Å; F607-H611 WeakPolarHBondContact O-CB 3.3Å; F607-H611 PolarHBondContact O-N 3.4Å
608	A	88.2	Confident	87.2	Confident	37 Å²	37	48.4 Å²	48.4	31%	0.306	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-48.9	175.2	0	0	0	0	0	111.6	P469 F604 E605 L610 H611 E612	P469-A608 HydrophobicContact CG-CB 4.01Å; F604-A608 PolarHBondContact O-N 3.21Å; E605-A608 WeakPolarHBondContact O-CB 3.27Å; E605-A608 PolarHBondContact O-N 3.25Å; A608-L610 PolarHBondContact O-N 3.43Å; A608-H611 PolarHBondContact O-N 2.78Å; A608-H611 VanDerWaalsContact O-N 3.14Å; A608-E612 PolarHBondContact O-N 2.91Å
609	E	85.6	Confident	86.7	Confident	89 Å²	89	49.8 Å²	49.8	42%	0.416	25%	0.246	S	C	.	.	H	α-helix	trans	-54.6	-49.3	176	-172.8	-150.5	135.6	0	0	111.7	E605 K606 H611 E612 A613	E605-E609 WeakPolarHBondContact O-CB 3.32Å; E605-E609 PolarHBondContact O-N 3.06Å; K606-E609 WeakPolarHBondContact CD-OE2 3.14Å; K606-E609 IonicContact NZ-OE1 3.18Å; K606-E609 PolarHBondContact NZ-OE1 2.64Å; K606-E609 IonicContact NZ-OE2 3.23Å; K606-E609 PolarHBondContact NZ-OE2 2.88Å; E609-H611 VanDerWaalsContact C-N 3.33Å; E609-H611 PolarHBondContact O-N 2.87Å; E609-E612 PolarHBondContact O-N 3.31Å; E609-A613 WeakPolarHBondContact O-CB 3.37Å; E609-A613 PolarHBondContact O-N 2.6Å
610	L	85.9	Confident	86.3	Confident	35 Å²	35	49.4 Å²	49.4	18%	0.183	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-33.9	179	-70.9	171.3	0	0	0	112.4	K606 A608 R614	K606-L610 HydrophobicContact CD-CD1 4.35Å; K606-L610 HydrophobicContact CD-CG 4.27Å; K606-L610 HydrophobicContact CG-CD1 4.16Å; K606-L610 WeakPolarHBondContact O-CB 3.34Å; K606-L610 VanDerWaalsContact O-CG 3.24Å; K606-L610 WeakPolarHBondContact O-CG 3.46Å; K606-L610 PolarHBondContact O-N 2.92Å; K606-L610 VanDerWaalsContact O-N 3.09Å; A608-L610 PolarHBondContact O-N 3.43Å; L610-R614 VanDerWaalsContact O-CB 3.23Å; L610-R614 WeakPolarHBondContact O-CB 3.47Å; L610-R614 PolarHBondContact O-N 3.15Å
611	H	85.3	Confident	86.1	Confident	5 Å²	5	48.6 Å²	48.6	2%	0.023	24%	0.242	C	C	.	.	H	α-helix	trans	-71.6	-42.5	175.7	170.6	78.1	0	0	0	112.4	W467 P483 P488 F607 A608 E609 R614 C615	W467-H611 PolarHBondContact O-CD2 2.87Å; P483-H611 HydrophobicContact CB-CB 4.16Å; P483-H611 HydrophobicContact CG-CB 3.66Å; P488-H611 PolarHBondContact O-NE2 2.75Å; F607-H611 VanDerWaalsContact O-CB 3.31Å; F607-H611 WeakPolarHBondContact O-CB 3.3Å; F607-H611 PolarHBondContact O-N 3.4Å; A608-H611 PolarHBondContact O-N 2.78Å; A608-H611 VanDerWaalsContact O-N 3.14Å; E609-H611 VanDerWaalsContact C-N 3.33Å; E609-H611 PolarHBondContact O-N 2.87Å; H611-R614 PolarHBondContact ND1-NH2 2.88Å; H611-R614 PolarHBondContact O-N 3.45Å; H611-C615 VanDerWaalsContact CE1-SG 3.53Å; H611-C615 WeakPolarHBondContact O-CB 3.5Å; H611-C615 PolarHBondContact O-N 3.44Å; H611-C615 PolarHBondContact O-SG 3.1Å
612	E	83.4	Confident	85.8	Confident	67 Å²	67	46.8 Å²	46.8	31%	0.313	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-48.6	175.1	-172.7	178.7	-179.9	0	0	110.7	A608 E609 R614 C615 A616 T638	A608-E612 PolarHBondContact O-N 2.91Å; E609-E612 PolarHBondContact O-N 3.31Å; E612-R614 PolarHBondContact O-N 3.04Å; E612-C615 PolarHBondContact O-N 2.86Å; E612-C615 VanDerWaalsContact O-N 3.1Å; E612-A616 PolarHBondContact O-N 2.92Å; E612-T638 WeakPolarHBondContact OE1-CB 3.46Å
613	A	82.9	Confident	85.4	Confident	32 Å²	32	48.4 Å²	48.4	26%	0.264	25%	0.247	S	C	.	.	H	α-helix	trans	-57.9	-45	176	0	0	0	0	0	112.2	E609 C615 A616 V617	E609-A613 WeakPolarHBondContact O-CB 3.37Å; E609-A613 PolarHBondContact O-N 2.6Å; A613-C615 VanDerWaalsContact C-N 3.31Å; A613-C615 PolarHBondContact O-N 2.78Å; A613-A616 PolarHBondContact O-N 3.49Å; A613-V617 WeakPolarHBondContact O-CG2 3.41Å; A613-V617 PolarHBondContact O-N 3.41Å
614	R	83.6	Confident	85.1	Confident	61 Å²	61	46 Å²	46	23%	0.23	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-40.2	174.9	-173.4	-174.4	77.3	-161.4	7.5	111.9	L484 R485 L610 H611 E612 N618	L484-R614 PolarHBondContact O-NH2 2.85Å; R485-R614 PolarHBondContact O-NH2 3.11Å; R485-R614 VanDerWaalsContact O-NH2 3.16Å; L610-R614 VanDerWaalsContact O-CB 3.23Å; L610-R614 WeakPolarHBondContact O-CB 3.47Å; L610-R614 PolarHBondContact O-N 3.15Å; H611-R614 PolarHBondContact ND1-NH2 2.88Å; H611-R614 PolarHBondContact O-N 3.45Å; E612-R614 PolarHBondContact O-N 3.04Å; R614-N618 WeakPolarHBondContact O-CB 3.42Å; R614-N618 VanDerWaalsContact O-CG 3.31Å; R614-N618 PolarHBondContact O-N 3.46Å; R614-N618 PolarHBondContact O-ND2 3.23Å
615	C	82.6	Confident	84.5	Confident	20 Å²	20	45.6 Å²	45.6	14%	0.135	23%	0.232	C	C	.	.	H	α-helix	trans	-69.6	-43	177.5	-68	0	0	0	0	112.1	H611 E612 A613 V617 N618 E619	H611-C615 VanDerWaalsContact CE1-SG 3.53Å; H611-C615 WeakPolarHBondContact O-CB 3.5Å; H611-C615 PolarHBondContact O-N 3.44Å; H611-C615 PolarHBondContact O-SG 3.1Å; E612-C615 PolarHBondContact O-N 2.86Å; E612-C615 VanDerWaalsContact O-N 3.1Å; A613-C615 VanDerWaalsContact C-N 3.31Å; A613-C615 PolarHBondContact O-N 2.78Å; C615-V617 PolarHBondContact O-N 3.5Å; C615-N618 PolarHBondContact O-N 2.79Å; C615-E619 PolarHBondContact O-N 3.04Å
616	A	82.7	Confident	83.8	Confident	30 Å²	30	47.2 Å²	47.2	25%	0.248	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-43.7	175.7	0	0	0	0	0	111.9	E612 A613 E619 T620	E612-A616 PolarHBondContact O-N 2.92Å; A613-A616 PolarHBondContact O-N 3.49Å; A616-E619 PolarHBondContact O-N 3.18Å; A616-T620 WeakPolarHBondContact O-CB 3.43Å; A616-T620 PolarHBondContact O-N 3.2Å; A616-T620 PolarHBondContact O-OG1 3.19Å
617	V	82.6	Confident	82.8	Confident	8 Å²	8	45.1 Å²	45.1	5%	0.048	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-47.4	172.8	169.2	0	0	0	0	110.8	E253 P272 A613 C615 E619 T620 K621 I635	E253-V617 HydrophobicContact CG-CG1 4.32Å; P272-V617 HydrophobicContact CB-CG1 4.48Å; P272-V617 HydrophobicContact CG-CG1 4.4Å; A613-V617 WeakPolarHBondContact O-CG2 3.41Å; A613-V617 PolarHBondContact O-N 3.41Å; C615-V617 PolarHBondContact O-N 3.5Å; V617-E619 PolarHBondContact O-N 3.12Å; V617-T620 WeakPolarHBondContact O-CB 3.31Å; V617-T620 PolarHBondContact O-N 3.23Å; V617-K621 WeakPolarHBondContact O-CG 3.48Å; V617-K621 PolarHBondContact O-N 2.75Å; V617-I635 HydrophobicContact CG2-CD1 4.06Å
618	N	83	Confident	81.6	Confident	67 Å²	67	46.1 Å²	46.1	36%	0.358	24%	0.24	S	C	.	.	H	α-helix	trans	-64.5	-37.9	-179.9	-79.5	-23.4	0	0	0	113.5	R614 C615 K621 K622	R614-N618 WeakPolarHBondContact O-CB 3.42Å; R614-N618 VanDerWaalsContact O-CG 3.31Å; R614-N618 PolarHBondContact O-N 3.46Å; R614-N618 PolarHBondContact O-ND2 3.23Å; C615-N618 PolarHBondContact O-N 2.79Å; N618-K621 WeakPolarHBondContact O-CB 3.32Å; N618-K621 PolarHBondContact O-N 3.44Å; N618-K622 PolarHBondContact O-N 2.98Å
619	E	81.5	Confident	80.1	Confident	82 Å²	82	48.2 Å²	48.2	38%	0.383	25%	0.252	S	S	.	.	H	α-helix	trans	-68	-40.9	174.2	-161.5	57	-134.8	0	0	111	C615 A616 V617 K621 K622 I623	C615-E619 PolarHBondContact O-N 3.04Å; A616-E619 PolarHBondContact O-N 3.18Å; V617-E619 PolarHBondContact O-N 3.12Å; E619-K621 VanDerWaalsContact C-N 3.3Å; E619-K621 PolarHBondContact O-N 2.94Å; E619-K622 WeakPolarHBondContact O-CB 3.47Å; E619-K622 PolarHBondContact O-N 3.35Å; E619-K622 IonicContact OE1-NZ 2.7Å; E619-K622 WeakPolarHBondContact OE2-CE 3.45Å; E619-K622 IonicContact OE2-NZ 3.53Å; E619-K622 PolarHBondContact OE2-NZ 2.79Å; E619-I623 HydrophobicContact CG-CD1 4.35Å; E619-I623 WeakPolarHBondContact O-CG1 3.29Å; E619-I623 PolarHBondContact O-N 3.4Å
620	T	84.3	Confident	78.9	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-40	173.1	-53.6	0	0	0	0	111.5	R271 P272 A616 V617 K622 I623 I624 T630	R271-T620 HydrophobicContact CB-CG2 4.33Å; P272-T620 HydrophobicContact CG-CG2 3.95Å; A616-T620 WeakPolarHBondContact O-CB 3.43Å; A616-T620 PolarHBondContact O-N 3.2Å; A616-T620 PolarHBondContact O-OG1 3.19Å; V617-T620 WeakPolarHBondContact O-CB 3.31Å; V617-T620 PolarHBondContact O-N 3.23Å; T620-K622 VanDerWaalsContact C-N 3.32Å; T620-K622 PolarHBondContact O-N 3.45Å; T620-I623 PolarHBondContact O-N 2.93Å; T620-I624 HydrophobicContact CG2-CD1 4.12Å; T620-I624 WeakPolarHBondContact O-CG1 3.4Å; T620-I624 PolarHBondContact O-N 3.16Å; T620-I624 VanDerWaalsContact O-N 3.11Å; T620-T630 HydrophobicContact CG2-CG2 3.67Å
621	K	86.8	Confident	77.1	Confident	10 Å²	10	47.4 Å²	47.4	4%	0.043	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-36.5	172.5	-70.1	179.9	-177.9	176.4	0	112.7	E253 P272 N275 L286 V617 N618 E619 Q625	E253-K621 IonicContact OE1-NZ 3.24Å; E253-K621 PolarHBondContact OE1-NZ 3.42Å; P272-K621 HydrophobicContact CB-CD 4.47Å; P272-K621 HydrophobicContact CB-CG 3.64Å; P272-K621 HydrophobicContact CG-CB 4.46Å; P272-K621 HydrophobicContact CG-CG 3.57Å; N275-K621 WeakPolarHBondContact OD1-CD 3.31Å; N275-K621 WeakPolarHBondContact OD1-CE 3.46Å; N275-K621 PolarHBondContact OD1-NZ 3.05Å; L286-K621 HydrophobicContact CD1-CB 4.46Å; L286-K621 HydrophobicContact CD1-CG 4.01Å; L286-K621 HydrophobicContact CD2-CB 4.39Å; V617-K621 WeakPolarHBondContact O-CG 3.48Å; V617-K621 PolarHBondContact O-N 2.75Å; N618-K621 WeakPolarHBondContact O-CB 3.32Å; N618-K621 PolarHBondContact O-N 3.44Å; E619-K621 VanDerWaalsContact C-N 3.3Å; E619-K621 PolarHBondContact O-N 2.94Å; K621-Q625 WeakPolarHBondContact O-CG 3.26Å; K621-Q625 PolarHBondContact O-N 3Å; K621-Q625 PolarHBondContact O-NE2 2.68Å
622	K	82	Confident	75	Confident	105 Å²	105	53.4 Å²	53.4	46%	0.457	30%	0.295	S	S	.	.	H	α-helix	trans	-70.6	-45.5	176.5	-62	175.8	-158.7	163.3	0	111.5	N618 E619 T620 I624 Q625 R626	N618-K622 PolarHBondContact O-N 2.98Å; E619-K622 WeakPolarHBondContact O-CB 3.47Å; E619-K622 PolarHBondContact O-N 3.35Å; E619-K622 IonicContact OE1-NZ 2.7Å; E619-K622 WeakPolarHBondContact OE2-CE 3.45Å; E619-K622 IonicContact OE2-NZ 3.53Å; E619-K622 PolarHBondContact OE2-NZ 2.79Å; T620-K622 VanDerWaalsContact C-N 3.32Å; T620-K622 PolarHBondContact O-N 3.45Å; K622-I624 VanDerWaalsContact C-N 3.35Å; K622-I624 PolarHBondContact O-N 2.92Å; K622-Q625 PolarHBondContact O-N 3.32Å; K622-R626 PolarHBondContact O-N 3.43Å
623	I	82.8	Confident	73	Confident	53 Å²	53	54.6 Å²	54.6	27%	0.272	30%	0.303	S	S	.	.	H	α-helix	trans	-58.7	-45.7	-179.1	-66.9	165.7	0	0	0	110.8	E619 T620 R626 G627 G628 T630 L633	E619-I623 HydrophobicContact CG-CD1 4.35Å; E619-I623 WeakPolarHBondContact O-CG1 3.29Å; E619-I623 PolarHBondContact O-N 3.4Å; T620-I623 PolarHBondContact O-N 2.93Å; I623-R626 CarbonylContact O-C 3.59Å; I623-R626 PolarHBondContact O-N 3.33Å; I623-G627 PolarHBondContact O-N 2.85Å; I623-G628 PolarHBondContact O-N 3.46Å; I623-T630 HydrophobicContact CB-CG2 4.34Å; I623-T630 HydrophobicContact CG2-CG2 3.88Å; I623-L633 HydrophobicContact CD1-CD1 3.99Å
624	I	83.4	Confident	70.8	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-65.4	-42.1	178.2	-60.6	167.6	0	0	0	111.3	P272 L286 L287 T620 K622 R626 G627 T630	P272-I624 HydrophobicContact CG-CD1 4.23Å; P272-I624 VanDerWaalsContact O-CD1 3.22Å; P272-I624 WeakPolarHBondContact O-CD1 3.47Å; L286-I624 HydrophobicContact CB-CB 4.29Å; L286-I624 HydrophobicContact CB-CG2 3.67Å; L287-I624 HydrophobicContact CB-CG2 4.14Å; L287-I624 HydrophobicContact CD1-CG2 4.23Å; T620-I624 HydrophobicContact CG2-CD1 4.12Å; T620-I624 WeakPolarHBondContact O-CG1 3.4Å; T620-I624 PolarHBondContact O-N 3.16Å; T620-I624 VanDerWaalsContact O-N 3.11Å; K622-I624 VanDerWaalsContact C-N 3.35Å; K622-I624 PolarHBondContact O-N 2.92Å; I624-R626 PolarHBondContact O-N 3.13Å; I624-G627 WeakPolarHBondContact O-CA 3.29Å; I624-G627 PolarHBondContact O-N 2.89Å; I624-T630 HydrophobicContact CD1-CG2 4.01Å; I624-T630 HydrophobicContact CG1-CG2 3.46Å; I624-T630 VanDerWaalsContact CG1-CG2 3.46Å
625	Q	79.1	Confident	68.8	Low	70 Å²	70	56.2 Å²	56.2	33%	0.327	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-28.6	177.5	-79.1	173.8	97	0	0	113.1	L286 K621 K622 G627	L286-Q625 HydrophobicContact CD2-CG 3.62Å; K621-Q625 WeakPolarHBondContact O-CG 3.26Å; K621-Q625 PolarHBondContact O-N 3Å; K621-Q625 PolarHBondContact O-NE2 2.68Å; K622-Q625 PolarHBondContact O-N 3.32Å; Q625-G627 PolarHBondContact O-N 3.44Å
626	R	75.1	Confident	66.8	Low	150 Å²	150	60.4 Å²	60.4	57%	0.566	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	8.1	170.6	-71.9	177.7	165.2	164.5	-7.2	113.4	K622 I623 I624 G628 D705	K622-R626 PolarHBondContact O-N 3.43Å; I623-R626 CarbonylContact O-C 3.59Å; I623-R626 PolarHBondContact O-N 3.33Å; I624-R626 PolarHBondContact O-N 3.13Å; R626-G628 VanDerWaalsContact C-N 3.27Å; R626-G628 PolarHBondContact O-N 2.58Å; R626-D705 IonicContact CZ-OD2 3.77Å; R626-D705 IonicContact NE-OD2 3.12Å; R626-D705 IonicContact NH2-OD2 2.63Å; R626-D705 PolarHBondContact NH2-OD2 3.35Å
627	G	67	Low	64.8	Low	10 Å²	10	67.2 Å²	67.2	10%	0.103	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	12	178.2	0	0	0	0	0	115.4	K304 I623 I624 Q625	K304-G627 PolarHBondContact NZ-O 3.25Å; I623-G627 PolarHBondContact O-N 2.85Å; I624-G627 WeakPolarHBondContact O-CA 3.29Å; I624-G627 PolarHBondContact O-N 2.89Å; Q625-G627 PolarHBondContact O-N 3.44Å
628	G	64.9	Low	62.6	Low	31 Å²	31	69.8 Å²	69.8	32%	0.32	37%	0.373	S	S	.	.			trans	-74.8	148.1	177.3	0	0	0	0	0	112.7	I623 R626	I623-G628 PolarHBondContact O-N 3.46Å; R626-G628 VanDerWaalsContact C-N 3.27Å; R626-G628 PolarHBondContact O-N 2.58Å
629	S	58.6	Low	60.4	Low	81 Å²	81	72 Å²	72	57%	0.566	39%	0.388	S	S	*	.			trans	-79	136.3	172.3	-175.7	0	0	0	0	110.8	S631	S629-S631 WeakPolarHBondContact OG-CB 3.49Å; S629-S631 PolarHBondContact OG-N 3.24Å; S629-S631 PolarHBondContact OG-OG 3.31Å; S629-S631 VanDerWaalsContact OG-OG 3.04Å
630	T	58.8	Low	57.9	Low	19 Å²	19	77.2 Å²	77.2	12%	0.117	41%	0.41	C	S	.	.			trans	-103.3	11.8	176.8	56.1	0	0	0	0	113.1	R271 T620 I623 I624 V632 L633	R271-T630 VanDerWaalsContact CD-OG1 3.29Å; R271-T630 WeakPolarHBondContact CD-OG1 3.43Å; T620-T630 HydrophobicContact CG2-CG2 3.67Å; I623-T630 HydrophobicContact CB-CG2 4.34Å; I623-T630 HydrophobicContact CG2-CG2 3.88Å; I624-T630 HydrophobicContact CD1-CG2 4.01Å; I624-T630 HydrophobicContact CG1-CG2 3.46Å; I624-T630 VanDerWaalsContact CG1-CG2 3.46Å; T630-V632 PolarHBondContact O-N 3.14Å; T630-L633 PolarHBondContact O-N 3.5Å
631	S	49.3	Very low	55.2	Low	88 Å²	88	82.2 Å²	82.2	62%	0.615	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	16.8	-169.7	63.3	0	0	0	0	116.7	S629	S629-S631 WeakPolarHBondContact OG-CB 3.49Å; S629-S631 PolarHBondContact OG-N 3.24Å; S629-S631 PolarHBondContact OG-OG 3.31Å; S629-S631 VanDerWaalsContact OG-OG 3.04Å
632	V	41.3	Very low	52.6	Low	132 Å²	132	87.9 Å²	87.9	80%	0.8	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.1	-19	178.3	-166.9	0	0	0	0	111.9	T630 N634	T630-V632 PolarHBondContact O-N 3.14Å; V632-N634 VanDerWaalsContact C-N 3.28Å; V632-N634 PolarHBondContact O-N 3.35Å
633	L	40.8	Very low	50	Low	91 Å²	91	89.2 Å²	89.2	48%	0.476	49%	0.49	S	S	.	.			trans	-80.8	71.7	180	-65.1	-177.8	0	0	0	111.4	I623 T630 I635	I623-L633 HydrophobicContact CD1-CD1 3.99Å; T630-L633 PolarHBondContact O-N 3.5Å; L633-I635 PolarHBondContact O-N 2.95Å
634	N	35.9	Very low	47.7	Very low	90 Å²	90	94.8 Å²	94.8	48%	0.481	52%	0.515	S	S	.	.			trans	-72.7	95.2	168.5	-173.5	-5.4	0	0	0	109.1	V632 N636 K637	V632-N634 VanDerWaalsContact C-N 3.28Å; V632-N634 PolarHBondContact O-N 3.35Å; N634-N636 PolarHBondContact O-N 2.79Å; N634-N636 WeakPolarHBondContact OD1-CB 3.43Å; N634-N636 PolarHBondContact OD1-N 2.86Å; N634-N636 PolarHBondContact OD1-ND2 2.8Å; N634-K637 PolarHBondContact O-N 2.93Å
635	I	43.5	Very low	45.1	Very low	37 Å²	37	103 Å²	103	19%	0.19	56%	0.557	C	S	.	*	G	3₁₀ helix	trans	-52.9	-25.1	-175.7	-56.7	-179.8	0	0	0	112.2	P270 V617 L633 K637 T638	P270-I635 WeakPolarHBondContact O-CD1 3.21Å; V617-I635 HydrophobicContact CG2-CD1 4.06Å; L633-I635 PolarHBondContact O-N 2.95Å; I635-K637 PolarHBondContact O-N 3.5Å; I635-T638 PolarHBondContact O-OG1 3.47Å
636	N	39.8	Very low	42.8	Very low	108 Å²	108	106.4 Å²	106.4	58%	0.578	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-72.3	21	178.9	-49	-75.7	0	0	0	115.2	N634	N634-N636 PolarHBondContact O-N 2.79Å; N634-N636 WeakPolarHBondContact OD1-CB 3.43Å; N634-N636 PolarHBondContact OD1-N 2.86Å; N634-N636 PolarHBondContact OD1-ND2 2.8Å
637	K	39.7	Very low	40.8	Very low	173 Å²	173	104.1 Å²	104.1	75%	0.752	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-120.7	-12.8	-178.4	-80.7	-165.2	169.6	-168.9	0	115.8	N634 I635 V639	N634-K637 PolarHBondContact O-N 2.93Å; I635-K637 PolarHBondContact O-N 3.5Å; K637-V639 VanDerWaalsContact C-N 3.26Å; K637-V639 PolarHBondContact O-N 3.23Å
638	T	36.8	Very low	39.2	Very low	63 Å²	63	110.6 Å²	110.6	39%	0.387	61%	0.613	S	S	.	*			trans	-85.3	64.2	177	48	0	0	0	0	111.3	E612 I635	E612-T638 WeakPolarHBondContact OE1-CB 3.46Å; I635-T638 PolarHBondContact O-OG1 3.47Å
639	V	37	Very low	37.9	Very low	112 Å²	112	117.3 Å²	117.3	68%	0.679	63%	0.634	S	S	*	*			trans	-142.5	94.6	168.3	-172.7	0	0	0	0	109.7	K637	K637-V639 VanDerWaalsContact C-N 3.26Å; K637-V639 PolarHBondContact O-N 3.23Å
640	K	28.8	Very low	36.7	Very low	193 Å²	193	122.3 Å²	122.3	84%	0.839	64%	0.642	S	S	*	*			trans	-131.6	130.8	155.1	-78.6	-170	175.4	-174.5	0	107.2	T642	K640-T642 PolarHBondContact O-N 3.46Å
641	P	28.6	Very low	35.5	Very low	109 Å²	109	126.3 Å²	126.3	71%	0.708	67%	0.671	S	S	*	*			trans	-72.3	112	177.2	29.1	-32.9	0	0	0	109.8	N643	P641-N643 VanDerWaalsContact C-N 3.27Å; P641-N643 PolarHBondContact O-N 2.84Å
642	T	30.8	Very low	34.6	Very low	129 Å²	129	130.2 Å²	130.2	79%	0.791	68%	0.679	S	S	*	*			trans	-77	81.9	169.6	-57.5	0	0	0	0	108.8	K640 Q644	K640-T642 PolarHBondContact O-N 3.46Å; T642-Q644 VanDerWaalsContact C-N 3.33Å; T642-Q644 PolarHBondContact O-N 2.94Å
643	N	28.8	Very low	34.2	Very low	133 Å²	133	134.3 Å²	134.3	71%	0.711	68%	0.681	S	S	*	*			trans	-72.5	86.3	173.1	-75.8	8.9	0	0	0	110.2	P641	P641-N643 VanDerWaalsContact C-N 3.27Å; P641-N643 PolarHBondContact O-N 2.84Å
644	Q	33	Very low	33.8	Very low	170 Å²	170	135.5 Å²	135.5	79%	0.794	70%	0.698	S	S	*	*			trans	-163.9	156.1	161.5	-106.1	137.5	101.3	0	0	109	T642	T642-Q644 VanDerWaalsContact C-N 3.33Å; T642-Q644 PolarHBondContact O-N 2.94Å
645	L	30	Very low	33.5	Very low	173 Å²	173	135.6 Å²	135.6	91%	0.906	71%	0.705	S	S	*	*			trans	69.9	55.4	-175	-54.6	171.7	0	0	0	115.7
646	I	31.1	Very low	33	Very low	142 Å²	142	143.2 Å²	143.2	73%	0.728	74%	0.737	S	S	*	*			trans	-109.5	121.3	145.3	-61.5	176.4	0	0	0	106.6
647	P	31.7	Very low	32.7	Very low	102 Å²	102	146.8 Å²	146.8	66%	0.662	75%	0.75	S	S	*	*			trans	-77.6	123.6	168.9	-14.3	30.3	0	0	0	110.6	K649	P647-K649 PolarHBondContact O-N 3.22Å
648	D	34.3	Very low	32.3	Very low	146 Å²	146	143.1 Å²	143.1	78%	0.781	75%	0.747	S	S	*	*			trans	-70.4	28.6	-176.4	-68.8	-51.6	0	0	0	115.2	Y650	D648-Y650 PolarHBondContact O-N 3.49Å
649	K	37.2	Very low	31.9	Very low	173 Å²	173	147.8 Å²	147.8	75%	0.752	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	6.8	-162.9	-139.1	179.6	-176.6	-178.2	0	115.8	P647	P647-K649 PolarHBondContact O-N 3.22Å
650	Y	34.6	Very low	31.8	Very low	186 Å²	186	150.8 Å²	150.8	73%	0.729	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.6	37.4	-167	-60.5	-71.7	0	0	0	115.3	D648 E652	D648-Y650 PolarHBondContact O-N 3.49Å; Y650-E652 PolarHBondContact O-N 2.78Å
651	S	32.4	Very low	31.8	Very low	103 Å²	103	152.2 Å²	152.2	72%	0.72	78%	0.78	S	S	*	*			trans	-81.3	-5.5	179.8	-65.9	0	0	0	0	115.4	Y653	S651-Y653 PolarHBondContact O-N 3Å
652	E	29.6	Very low	32.2	Very low	170 Å²	170	155 Å²	155	79%	0.794	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	26	-158.8	-152.1	167	-157.7	0	0	116.8	Y650	Y650-E652 PolarHBondContact O-N 2.78Å
653	Y	33.5	Very low	32.4	Very low	217 Å²	217	155.6 Å²	155.6	85%	0.851	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	1.7	175.2	-81.8	-76.9	0	0	0	116.3	S651	S651-Y653 PolarHBondContact O-N 3Å
654	S	32.9	Very low	32.4	Very low	117 Å²	117	155.2 Å²	155.2	82%	0.818	79%	0.79	S	S	*	*	S	Bend	trans	-95.1	-2.5	-175.2	-150.2	0	0	0	0	115.2	K656	S654-K656 PolarHBondContact O-N 3.02Å
655	S	28.8	Very low	32.6	Very low	92 Å²	92	152.2 Å²	152.2	64%	0.643	79%	0.787	S	S	*	*			trans	-103	48.5	-163.1	49.5	0	0	0	0	115.5
656	K	33.7	Very low	32.7	Very low	196 Å²	196	153.5 Å²	153.5	85%	0.852	79%	0.786	S	S	*	*			trans	-158.8	61.9	171.2	-101	133.1	-171.7	172.8	0	115.2	S654	S654-K656 PolarHBondContact O-N 3.02Å
657	Q	34.4	Very low	32.8	Very low	183 Å²	183	157 Å²	157	86%	0.855	80%	0.796	S	S	*	*			trans	-160.5	80.5	159.6	-115	157.2	99.2	0	0	110
658	S	30.9	Very low	32.8	Very low	97 Å²	97	157.9 Å²	157.9	68%	0.678	81%	0.805	S	S	*	*				83.9	77	89.8	70.1	0	0	0	0	114.4	L660	S658-L660 PolarHBondContact O-N 2.92Å
659	N	28.2	Very low	32.8	Very low	160 Å²	160	154.6 Å²	154.6	86%	0.856	81%	0.806	S	S	*	*			trans	-6	113.4	156.4	-58.7	-36.5	0	0	0	117.9
660	L	34.1	Very low	32.7	Very low	175 Å²	175	157.5 Å²	157.5	92%	0.916	81%	0.812	S	S	*	*			trans	-131.7	118.8	139.2	-93.7	101.3	0	0	0	109.9	S658	S658-L660 PolarHBondContact O-N 2.92Å
661	R	29.7	Very low	32.4	Very low	223 Å²	223	158.1 Å²	158.1	84%	0.842	81%	0.814	S	S	*	*			trans	-82.1	150.2	164.6	-66.4	175.4	171.5	178	-3.5	108.3
662	H	36.9	Very low	32.6	Very low	168 Å²	168	162.2 Å²	162.2	78%	0.778	82%	0.822	S	S	*	*				-168.1	123.1	116.5	-95.6	-50.9	0	0	0	114.3
663	N	34.1	Very low	32.7	Very low	142 Å²	142	160.1 Å²	160.1	76%	0.759	82%	0.816	S	S	*	*			trans	54.3	109.5	136.3	-54.8	7.3	0	0	0	119.8
664	S	29.3	Very low	32.8	Very low	124 Å²	124	158.8 Å²	158.8	87%	0.867	82%	0.817	S	S	*	*			trans	-96.8	138	151.6	57.5	0	0	0	0	111.3
665	S	36.6	Very low	32.8	Very low	107 Å²	107	161.3 Å²	161.3	75%	0.748	82%	0.815	S	S	*	*			trans	-134.6	114.4	159.9	49.2	0	0	0	0	107.3
666	K	33	Very low	33.1	Very low	200 Å²	200	166.1 Å²	166.1	87%	0.87	83%	0.827	S	S	*	*				54	87.8	85.9	-69.9	-171.3	179.8	178.8	0	112.9
667	F	33.3	Very low	33	Very low	216 Å²	216	162.3 Å²	162.3	95%	0.947	83%	0.825	S	S	*	*			trans	-132	142.3	143.8	-111.4	-86	0	0	0	109.9
668	S	31.4	Very low	32.9	Very low	121 Å²	121	157.1 Å²	157.1	85%	0.846	82%	0.821	S	S	*	*			trans	-133.4	128.6	-179.2	177.8	0	0	0	0	108.6
669	G	35	Very low	33	Very low	77 Å²	77	164 Å²	164	79%	0.794	83%	0.832	S	S	*	*			trans	-145.4	60.3	-160	0	0	0	0	0	114.5
670	R	33.5	Very low	33.1	Very low	233 Å²	233	164.6 Å²	164.6	88%	0.879	83%	0.829	S	S	*	*			trans	28.9	121.9	157.5	-59.5	-178.6	-173.9	175.1	2.9	119.8
671	Y	28.7	Very low	33.2	Very low	200 Å²	200	163.9 Å²	163.9	78%	0.784	83%	0.825	S	S	*	*			trans	-13.7	141.5	149.1	-53.2	-93	0	0	0	118.4
672	H	37.9	Very low	33.3	Very low	189 Å²	189	161.4 Å²	161.4	88%	0.875	82%	0.823	S	S	*	*				-139.2	131.9	123.2	-105.1	59.9	0	0	0	109.6
673	N	30	Very low	33	Very low	125 Å²	125	158.6 Å²	158.6	67%	0.668	82%	0.822	S	S	*	*			trans	-87.8	145	170.9	-67.1	-39.9	0	0	0	109.3
674	H	36.9	Very low	32.8	Very low	189 Å²	189	154.8 Å²	154.8	88%	0.875	82%	0.816	S	S	*	*			trans	-146.3	145.8	147.4	-106.6	69.9	0	0	0	109.9
675	H	32.6	Very low	32.9	Very low	171 Å²	171	159.3 Å²	159.3	79%	0.792	82%	0.816	S	S	*	*			trans	-95.4	140.9	-173.4	-65	-97.4	0	0	0	112.1
676	H	35.7	Very low	32.6	Very low	193 Å²	193	161.1 Å²	161.1	89%	0.894	82%	0.816	S	S	*	*			trans	-148.7	157.1	140.5	-116.9	63.3	0	0	0	112
677	S	31.5	Very low	32.2	Very low	115 Å²	115	156.9 Å²	156.9	80%	0.804	81%	0.811	S	S	*	*			trans	-106.5	143.7	-166.4	56.7	0	0	0	0	113
678	G	31.6	Very low	32.2	Very low	74 Å²	74	155.8 Å²	155.8	76%	0.763	80%	0.801	S	S	*	*			trans	-166.8	55.5	-169.1	0	0	0	0	0	117.5
679	R	32.6	Very low	31.9	Very low	241 Å²	241	157.3 Å²	157.3	91%	0.909	80%	0.8	S	S	*	*			trans	43.6	90.2	159.7	-55.6	-176.2	-169	-166.6	3.7	117.8
680	H	30.4	Very low	31.7	Very low	174 Å²	174	162.9 Å²	162.9	81%	0.806	80%	0.798	S	S	*	*			trans	-78.8	118.6	165.3	-179	-74	0	0	0	111.3
681	I	36.9	Very low	31.4	Very low	159 Å²	159	155.2 Å²	155.2	82%	0.815	79%	0.792	S	S	*	*			trans	-94.8	134.2	170.5	-66.5	-179.1	0	0	0	110
682	Q	30.2	Very low	31.3	Very low	172 Å²	172	156.5 Å²	156.5	80%	0.804	80%	0.796	S	S	*	*			trans	-97.8	102.7	-161.1	-175.7	175.7	-2.8	0	0	112.1
683	S	32.5	Very low	30.9	Very low	108 Å²	108	155.5 Å²	155.5	76%	0.755	79%	0.794	S	S	*	*			trans	-95.7	88.4	171.8	-169.1	0	0	0	0	110.4
684	G	28.4	Very low	30.8	Very low	63 Å²	63	158 Å²	158	65%	0.649	80%	0.802	S	S	*	*			trans	-95.1	106.2	178.4	0	0	0	0	0	112.1
685	Y	30.9	Very low	30.6	Very low	219 Å²	219	157 Å²	157	86%	0.859	80%	0.802	S	S	*	*			trans	-86	108.2	163.5	-87.9	-89.4	0	0	0	109.5	S687	Y685-S687 PolarHBondContact O-N 3.29Å
686	I	30.4	Very low	30.5	Very low	144 Å²	144	156.3 Å²	156.3	74%	0.738	81%	0.805	S	S	*	*			trans	-78.3	107	174.5	-65	171.9	0	0	0	108.1	R688	I686-R688 PolarHBondContact O-N 2.89Å
687	S	26.6	Very low	30.4	Very low	112 Å²	112	154.2 Å²	154.2	78%	0.783	79%	0.789	S	S	*	*			trans	-58.8	133.7	160.9	-66.2	0	0	0	0	109.1	Y685	Y685-S687 PolarHBondContact O-N 3.29Å
688	R	31.6	Very low	30.3	Very low	192 Å²	192	156.3 Å²	156.3	73%	0.725	79%	0.791	S	S	*	*			trans	-137.9	104.2	178.3	-138.5	171.7	-175.3	152.6	2	108.6	I686 Y690	I686-R688 PolarHBondContact O-N 2.89Å; R688-Y690 HydrophobicContact CB-CE2 4.42Å; R688-Y690 HydrophobicContact CG-CE2 4.23Å
689	D	25.5	Very low	30.4	Very low	153 Å²	153	163.3 Å²	163.3	82%	0.818	80%	0.796	S	S	*	*			trans	-63.4	133.9	178.8	-60.3	-73.5	0	0	0	110.9
690	Y	30.1	Very low	30.4	Very low	195 Å²	195	156.6 Å²	156.6	77%	0.765	79%	0.786	S	S	*	*			trans	-139.2	132.9	164.1	-78.2	-75.9	0	0	0	108	R688	R688-Y690 HydrophobicContact CB-CE2 4.42Å; R688-Y690 HydrophobicContact CG-CE2 4.23Å
691	G	28.4	Very low	30.5	Very low	72 Å²	72	156.6 Å²	156.6	74%	0.742	78%	0.784	S	S	*	*			trans	-73.7	174.8	-169.7	0	0	0	0	0	114.6
692	Y	26.5	Very low	30.5	Very low	226 Å²	226	155.1 Å²	155.1	89%	0.886	78%	0.776	S	S	*	*			trans	-57.8	136.3	167.9	-130.9	-109.5	0	0	0	109.7
693	M	29.5	Very low	30.8	Very low	168 Å²	168	153.8 Å²	153.8	83%	0.828	77%	0.774	S	S	*	*			trans	-128.1	115.7	170.1	-81.5	-77	-78	0	0	107.4	L695	M693-L695 PolarHBondContact O-N 3.19Å
694	E	28.5	Very low	31.1	Very low	177 Å²	177	153.4 Å²	153.4	83%	0.827	76%	0.764	S	S	*	*			trans	-68.6	118	180	-61.3	175.4	140.1	0	0	109.7	N696	E694-N696 VanDerWaalsContact C-N 3.26Å; E694-N696 PolarHBondContact O-N 3.43Å
695	L	32	Very low	31.9	Very low	169 Å²	169	155.4 Å²	155.4	89%	0.885	76%	0.76	S	S	*	*			trans	-77.8	83.3	171.4	-72.4	179.6	0	0	0	109.3	M693 R697	M693-L695 PolarHBondContact O-N 3.19Å; L695-R697 PolarHBondContact O-N 3.08Å
696	N	30.3	Very low	33.1	Very low	157 Å²	157	151.6 Å²	151.6	84%	0.84	75%	0.75	S	S	*	*			trans	-54.7	129.5	176.9	-165.5	0.1	0	0	0	110.5	E694	E694-N696 VanDerWaalsContact C-N 3.26Å; E694-N696 PolarHBondContact O-N 3.43Å
697	R	33.5	Very low	33.9	Very low	148 Å²	148	151 Å²	151	56%	0.558	75%	0.747	S	S	*	*			trans	-79.8	136.6	-169.2	-63.4	-178.6	-173	158.2	1.2	111.6	L495 N499 L695	L495-R697 VanDerWaalsContact CD2-NH2 3.29Å; N499-R697 VanDerWaalsContact CG-NH2 3.27Å; N499-R697 PolarHBondContact ND2-NH2 3.44Å; N499-R697 PolarHBondContact OD1-NH1 3.11Å; N499-R697 PolarHBondContact OD1-NH2 2.95Å; L695-R697 PolarHBondContact O-N 3.08Å
698	N	29.6	Very low	34.7	Very low	159 Å²	159	148.3 Å²	148.3	85%	0.85	73%	0.726	S	S	*	*			trans	-155.9	69.5	153.9	-97.3	-39.7	0	0	0	110.5
699	Y	34.9	Very low	35.8	Very low	222 Å²	222	143.6 Å²	143.6	87%	0.871	72%	0.715	S	S	*	*			trans	-131.9	116.1	163.2	-89.1	-85.1	0	0	0	107.8	F701	Y699-F701 PolarHBondContact O-N 3.33Å
700	S	32.8	Very low	36.8	Very low	100 Å²	100	141.1 Å²	141.1	70%	0.699	70%	0.701	S	S	*	*			trans	-70.2	109.2	174.2	53.3	0	0	0	0	109.3	I702	S700-I702 PolarHBondContact O-N 2.97Å; S700-I702 VanDerWaalsContact O-N 3.16Å
701	F	31.9	Very low	38.4	Very low	173 Å²	173	139 Å²	139	76%	0.759	70%	0.698	S	S	*	*			trans	-64.9	111.9	163	-96.8	-100.5	0	0	0	108.4	Y699	Y699-F701 PolarHBondContact O-N 3.33Å
702	I	36.2	Very low	40.2	Very low	128 Å²	128	139.8 Å²	139.8	66%	0.656	68%	0.683	S	S	*	*			trans	-114.3	128.8	168.8	-65	176.3	0	0	0	105.4	S700	S700-I702 PolarHBondContact O-N 2.97Å; S700-I702 VanDerWaalsContact O-N 3.16Å
703	D	36.3	Very low	41.6	Very low	144 Å²	144	132.2 Å²	132.2	77%	0.77	66%	0.657	S	S	*	*	S	Bend	trans	62.5	112.6	-179.2	-51.1	-30.7	0	0	0	115.2	D705	D703-D705 PolarHBondContact O-N 3.43Å
704	D	40.3	Very low	43	Very low	100 Å²	100	129.7 Å²	129.7	54%	0.535	64%	0.643	S	S	.	*			trans	-84.3	107	177.2	-165.1	13.7	0	0	0	108.4	R502 H706	R502-D704 IonicContact CZ-OD1 3.83Å; R502-D704 IonicContact CZ-OD2 3.76Å; R502-D704 IonicContact NE-OD2 2.62Å; R502-D704 PolarHBondContact NE-OD2 2.86Å; R502-D704 IonicContact NH2-OD1 3.85Å; R502-D704 PolarHBondContact NH2-OD1 2.95Å; R502-D704 IonicContact NH2-OD2 3.44Å; R502-D704 PolarHBondContact NH2-OD2 3.24Å; D704-H706 PolarHBondContact O-N 2.67Å
705	D	44.4	Very low	44.8	Very low	105 Å²	105	123.7 Å²	123.7	56%	0.561	62%	0.624	S	S	*	*			trans	-45.1	113.5	-174.9	-70.5	-51.3	0	0	0	111.3	R626 D703 I707	R626-D705 IonicContact CZ-OD2 3.77Å; R626-D705 IonicContact NE-OD2 3.12Å; R626-D705 IonicContact NH2-OD2 2.63Å; R626-D705 PolarHBondContact NH2-OD2 3.35Å; D703-D705 PolarHBondContact O-N 3.43Å; D705-I707 PolarHBondContact O-N 3.38Å; D705-I707 VanDerWaalsContact O-N 3.15Å
706	H	55.1	Low	46.3	Very low	139 Å²	139	117.7 Å²	117.7	64%	0.644	60%	0.599	S	S	*	*			trans	-54.8	122.1	169.4	-172.3	57.3	0	0	0	107.8	D704 P708 E712	D704-H706 PolarHBondContact O-N 2.67Å; H706-P708 WeakPolarHBondContact O-CD 3.41Å; H706-E712 IonicContact CD2-OE2 3.56Å; H706-E712 PolarHBondContact CD2-OE2 3.05Å; H706-E712 IonicContact NE2-OE2 3.59Å
707	I	47.3	Very low	47.6	Very low	133 Å²	133	112.9 Å²	112.9	68%	0.682	57%	0.573	S	S	*	*			trans	-80.2	109.9	172.4	-61.7	176.5	0	0	0	105.4	D705 D709	D705-I707 PolarHBondContact O-N 3.38Å; D705-I707 VanDerWaalsContact O-N 3.15Å; I707-D709 PolarHBondContact O-N 3.35Å
708	P	45	Very low	49.1	Very low	54 Å²	54	111.8 Å²	111.8	35%	0.351	57%	0.574	S	S	.	*			trans	-60.6	131.1	-177.5	-27	40.8	0	0	0	109.5	H706 E712 L713	H706-P708 WeakPolarHBondContact O-CD 3.41Å; P708-E712 WeakPolarHBondContact CA-OE2 3.49Å; P708-E712 HydrophobicContact CB-CB 4.13Å; P708-E712 HydrophobicContact CB-CG 4.23Å; P708-E712 WeakPolarHBondContact CB-OE2 3.23Å; P708-E712 WeakPolarHBondContact CG-OE2 3.33Å; P708-L713 HydrophobicContact CB-CD2 3.86Å; P708-L713 HydrophobicContact CB-CG 3.86Å; P708-L713 HydrophobicContact CG-CD2 4.45Å
709	D	54.3	Low	50.7	Low	93 Å²	93	108.1 Å²	108.1	50%	0.497	56%	0.558	S	S	.	*			trans	-73.2	-173.9	174.9	71.4	31.6	0	0	0	110.8	I707 E711 E712 L713	I707-D709 PolarHBondContact O-N 3.35Å; D709-E711 VanDerWaalsContact C-N 3.28Å; D709-E711 PolarHBondContact O-N 3.4Å; D709-E711 WeakPolarHBondContact OD1-CA 3.46Å; D709-E711 PolarHBondContact OD1-N 2.96Å; D709-E712 PolarHBondContact OD1-N 3.03Å; D709-L713 VanDerWaalsContact O-CB 3.25Å; D709-L713 WeakPolarHBondContact O-CB 3.17Å; D709-L713 WeakPolarHBondContact O-CG 3.48Å; D709-L713 PolarHBondContact O-N 3.28Å
710	I	45.5	Very low	51.7	Low	102 Å²	102	101.3 Å²	101.3	52%	0.523	54%	0.536	S	S	.	.	H	α-helix	trans	-70.1	-28.8	-175.2	-160.6	161	0	0	0	112.3	E714	I710-E714 WeakPolarHBondContact CG1-OE1 3.49Å; I710-E714 VanDerWaalsContact O-CB 3.26Å; I710-E714 WeakPolarHBondContact O-CB 3.23Å; I710-E714 WeakPolarHBondContact O-CG 3.48Å; I710-E714 PolarHBondContact O-N 3.16Å
711	E	65.3	Low	52.8	Low	150 Å²	150	102.2 Å²	102.2	70%	0.701	53%	0.531	S	S	*	.	H	α-helix	trans	-83.9	-37.4	-177.2	-164.1	166.6	-172.6	0	0	110.5	D709 E714 A715	D709-E711 VanDerWaalsContact C-N 3.28Å; D709-E711 PolarHBondContact O-N 3.4Å; D709-E711 WeakPolarHBondContact OD1-CA 3.46Å; D709-E711 PolarHBondContact OD1-N 2.96Å; E711-E714 PolarHBondContact O-N 3.31Å; E711-A715 WeakPolarHBondContact O-CB 3.33Å; E711-A715 PolarHBondContact O-N 2.99Å
712	E	65.9	Low	53.6	Low	89 Å²	89	98.7 Å²	98.7	42%	0.416	52%	0.518	S	S	.	.	H	α-helix	trans	-68.4	-35.1	168.5	-165.6	-174.2	-145.5	0	0	111.9	H706 P708 D709 A716	H706-E712 IonicContact CD2-OE2 3.56Å; H706-E712 PolarHBondContact CD2-OE2 3.05Å; H706-E712 IonicContact NE2-OE2 3.59Å; P708-E712 WeakPolarHBondContact CA-OE2 3.49Å; P708-E712 HydrophobicContact CB-CB 4.13Å; P708-E712 HydrophobicContact CB-CG 4.23Å; P708-E712 WeakPolarHBondContact CB-OE2 3.23Å; P708-E712 WeakPolarHBondContact CG-OE2 3.33Å; D709-E712 PolarHBondContact OD1-N 3.03Å; E712-A716 WeakPolarHBondContact O-CB 3.35Å; E712-A716 PolarHBondContact O-N 3.09Å
713	L	56.1	Low	54.1	Low	67 Å²	67	99 Å²	99	35%	0.351	52%	0.517	S	S	.	.	H	α-helix	trans	-67.6	-38.3	171.4	-75.5	175.6	0	0	0	112.6	P708 D709 A716 D717	P708-L713 HydrophobicContact CB-CD2 3.86Å; P708-L713 HydrophobicContact CB-CG 3.86Å; P708-L713 HydrophobicContact CG-CD2 4.45Å; D709-L713 VanDerWaalsContact O-CB 3.25Å; D709-L713 WeakPolarHBondContact O-CB 3.17Å; D709-L713 WeakPolarHBondContact O-CG 3.48Å; D709-L713 PolarHBondContact O-N 3.28Å; L713-A716 PolarHBondContact O-N 2.93Å; L713-D717 WeakPolarHBondContact O-CB 3.35Å; L713-D717 PolarHBondContact O-N 2.98Å
714	E	57.3	Low	54.6	Low	114 Å²	114	100 Å²	100	53%	0.533	51%	0.511	S	S	.	.	H	α-helix	trans	-68	-43	175.8	-79.4	164.4	-173.1	0	0	110.3	I710 E711 A716 D717 E718	I710-E714 WeakPolarHBondContact CG1-OE1 3.49Å; I710-E714 VanDerWaalsContact O-CB 3.26Å; I710-E714 WeakPolarHBondContact O-CB 3.23Å; I710-E714 WeakPolarHBondContact O-CG 3.48Å; I710-E714 PolarHBondContact O-N 3.16Å; E711-E714 PolarHBondContact O-N 3.31Å; E714-A716 PolarHBondContact O-N 3.31Å; E714-D717 PolarHBondContact O-N 3.18Å; E714-E718 VanDerWaalsContact O-CB 3.26Å; E714-E718 WeakPolarHBondContact O-CB 3.43Å; E714-E718 WeakPolarHBondContact O-CG 3.28Å; E714-E718 PolarHBondContact O-N 2.9Å
715	A	67.7	Low	54.6	Low	51 Å²	51	99.6 Å²	99.6	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-61.9	-39.9	171.4	0	0	0	0	0	112.9	E711 E718 V719	E711-A715 WeakPolarHBondContact O-CB 3.33Å; E711-A715 PolarHBondContact O-N 2.99Å; A715-E718 PolarHBondContact O-N 2.74Å; A715-V719 WeakPolarHBondContact O-CG2 3.41Å; A715-V719 PolarHBondContact O-N 2.89Å
716	A	63.2	Low	54.2	Low	43 Å²	43	98.1 Å²	98.1	36%	0.355	51%	0.506	S	S	.	.	H	α-helix	trans	-70.8	-42.7	177.6	0	0	0	0	0	112.6	E712 L713 E714 E718 V719 N720	E712-A716 WeakPolarHBondContact O-CB 3.35Å; E712-A716 PolarHBondContact O-N 3.09Å; L713-A716 PolarHBondContact O-N 2.93Å; E714-A716 PolarHBondContact O-N 3.31Å; A716-E718 VanDerWaalsContact C-N 3.34Å; A716-V719 PolarHBondContact O-N 3.06Å; A716-N720 PolarHBondContact O-N 3.41Å; A716-N720 PolarHBondContact O-ND2 3.09Å
717	D	57.9	Low	53.3	Low	57 Å²	57	97.2 Å²	97.2	31%	0.305	51%	0.51	S	S	.	.	H	α-helix	trans	-71.3	-29.1	174.5	-79.6	-8.3	0	0	0	110.1	R202 L713 E714 N720 M721	R202-D717 IonicContact CZ-OD1 3.88Å; R202-D717 IonicContact CZ-OD2 3.11Å; R202-D717 IonicContact NH1-OD1 3.3Å; R202-D717 IonicContact NH1-OD2 3.75Å; R202-D717 PolarHBondContact NH1-OD2 3.32Å; R202-D717 IonicContact NH2-OD1 3.09Å; R202-D717 PolarHBondContact NH2-OD1 3.44Å; R202-D717 VanDerWaalsContact NH2-OD1 3.11Å; R202-D717 IonicContact NH2-OD2 2.84Å; L713-D717 WeakPolarHBondContact O-CB 3.35Å; L713-D717 PolarHBondContact O-N 2.98Å; E714-D717 PolarHBondContact O-N 3.18Å; D717-N720 PolarHBondContact O-N 3.09Å; D717-M721 VanDerWaalsContact O-CB 3.28Å; D717-M721 WeakPolarHBondContact O-CB 3.39Å; D717-M721 WeakPolarHBondContact O-CG 3.43Å; D717-M721 PolarHBondContact O-N 3.47Å
718	E	64.6	Low	52.7	Low	125 Å²	125	95.4 Å²	95.4	58%	0.584	51%	0.509	S	S	*	.	H	α-helix	trans	-63.2	-48.3	168	-87.7	-165.8	-178.2	0	0	112.4	E714 A715 A716 N720 M721 M722	E714-E718 VanDerWaalsContact O-CB 3.26Å; E714-E718 WeakPolarHBondContact O-CB 3.43Å; E714-E718 WeakPolarHBondContact O-CG 3.28Å; E714-E718 PolarHBondContact O-N 2.9Å; A715-E718 PolarHBondContact O-N 2.74Å; A716-E718 VanDerWaalsContact C-N 3.34Å; E718-N720 VanDerWaalsContact C-N 3.33Å; E718-N720 PolarHBondContact O-N 3.33Å; E718-M721 CarbonylContact O-C 3.5Å; E718-M721 PolarHBondContact O-N 2.99Å; E718-M722 HydrophobicContact CB-CE 4.04Å; E718-M722 WeakPolarHBondContact O-CB 3.43Å; E718-M722 WeakPolarHBondContact O-CG 3.43Å; E718-M722 PolarHBondContact O-N 3.03Å
719	V	62.4	Low	52	Low	82 Å²	82	96 Å²	96	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-60.5	-43.1	175.8	167.3	0	0	0	0	110.8	A715 A716 M722 E723	A715-V719 WeakPolarHBondContact O-CG2 3.41Å; A715-V719 PolarHBondContact O-N 2.89Å; A716-V719 PolarHBondContact O-N 3.06Å; V719-M722 PolarHBondContact O-N 3.5Å; V719-E723 PolarHBondContact O-N 3.3Å
720	N	57	Low	50.9	Low	78 Å²	78	98 Å²	98	42%	0.417	53%	0.529	S	S	.	.	H	α-helix	trans	-62.2	-43	173.8	-81.7	-84.6	0	0	0	111.9	A716 D717 E718 M722 E723 Y724	A716-N720 PolarHBondContact O-N 3.41Å; A716-N720 PolarHBondContact O-ND2 3.09Å; D717-N720 PolarHBondContact O-N 3.09Å; E718-N720 VanDerWaalsContact C-N 3.33Å; E718-N720 PolarHBondContact O-N 3.33Å; N720-M722 VanDerWaalsContact C-N 3.31Å; N720-M722 PolarHBondContact O-N 3.15Å; N720-E723 PolarHBondContact O-N 2.87Å; N720-Y724 WeakPolarHBondContact O-CD2 3.48Å; N720-Y724 PolarHBondContact O-N 3.47Å
721	M	55.5	Low	50.1	Low	120 Å²	120	101.9 Å²	101.9	59%	0.591	54%	0.539	S	S	*	.	H	α-helix	trans	-68.2	-30	177.6	-71.5	-76.2	-81.6	0	0	111.9	D717 E718 N725	D717-M721 VanDerWaalsContact O-CB 3.28Å; D717-M721 WeakPolarHBondContact O-CB 3.39Å; D717-M721 WeakPolarHBondContact O-CG 3.43Å; D717-M721 PolarHBondContact O-N 3.47Å; E718-M721 CarbonylContact O-C 3.5Å; E718-M721 PolarHBondContact O-N 2.99Å; M721-N725 VanDerWaalsContact O-CB 3.25Å; M721-N725 WeakPolarHBondContact O-CB 3.46Å; M721-N725 VanDerWaalsContact O-CG 3.3Å; M721-N725 PolarHBondContact O-N 3.43Å; M721-N725 PolarHBondContact O-ND2 3.31Å
722	M	48.3	Very low	48.4	Very low	99 Å²	99	100 Å²	100	49%	0.488	54%	0.542	S	S	.	.	H	α-helix	trans	-70.4	-43.3	169.8	-77	-173	-102.9	0	0	111.7	E718 V719 N720 Y724 N725 C726	E718-M722 HydrophobicContact CB-CE 4.04Å; E718-M722 WeakPolarHBondContact O-CB 3.43Å; E718-M722 WeakPolarHBondContact O-CG 3.43Å; E718-M722 PolarHBondContact O-N 3.03Å; V719-M722 PolarHBondContact O-N 3.5Å; N720-M722 VanDerWaalsContact C-N 3.31Å; N720-M722 PolarHBondContact O-N 3.15Å; M722-Y724 VanDerWaalsContact C-N 3.32Å; M722-Y724 PolarHBondContact O-N 3.5Å; M722-N725 PolarHBondContact O-N 3.21Å; M722-C726 WeakPolarHBondContact O-CB 3.34Å; M722-C726 PolarHBondContact O-N 3.45Å; M722-C726 PolarHBondContact O-SG 3.35Å; M722-C726 VanDerWaalsContact O-SG 3.35Å
723	E	46.7	Very low	46.7	Very low	135 Å²	135	104.2 Å²	104.2	63%	0.631	56%	0.564	S	S	*	*	H	α-helix	trans	-61.5	-39.3	173.5	-71	-161.4	143.9	0	0	112.3	V719 N720 T727	V719-E723 PolarHBondContact O-N 3.3Å; N720-E723 PolarHBondContact O-N 2.87Å; E723-T727 WeakPolarHBondContact O-CG2 3.47Å; E723-T727 PolarHBondContact O-OG1 3.21Å
724	Y	46.9	Very low	45.5	Very low	165 Å²	165	107.2 Å²	107.2	65%	0.647	58%	0.581	S	S	*	*	H	α-helix	trans	-72.8	-23.9	175.9	-91.3	-79.5	0	0	0	114.6	N720 M722 T727	N720-Y724 WeakPolarHBondContact O-CD2 3.48Å; N720-Y724 PolarHBondContact O-N 3.47Å; M722-Y724 VanDerWaalsContact C-N 3.32Å; M722-Y724 PolarHBondContact O-N 3.5Å; Y724-T727 PolarHBondContact O-OG1 3.1Å
725	N	39.9	Very low	44.3	Very low	90 Å²	90	107.1 Å²	107.1	48%	0.481	59%	0.593	S	S	.	*	H	α-helix	trans	-98.1	-40.1	178.9	-74.9	-49.5	0	0	0	113.4	M721 M722 T727 S728 A729	M721-N725 VanDerWaalsContact O-CB 3.25Å; M721-N725 WeakPolarHBondContact O-CB 3.46Å; M721-N725 VanDerWaalsContact O-CG 3.3Å; M721-N725 PolarHBondContact O-N 3.43Å; M721-N725 PolarHBondContact O-ND2 3.31Å; M722-N725 PolarHBondContact O-N 3.21Å; N725-T727 PolarHBondContact O-N 3.3Å; N725-S728 WeakPolarHBondContact O-CA 3.42Å; N725-S728 PolarHBondContact O-N 3.43Å; N725-S728 PolarHBondContact O-OG 3.44Å; N725-A729 PolarHBondContact O-N 3.31Å; N725-A729 VanDerWaalsContact O-N 3.08Å
726	C	35.4	Very low	42.8	Very low	75 Å²	75	111.3 Å²	111.3	51%	0.507	61%	0.608	S	S	.	*	H	α-helix	trans	-66.9	-15.2	177.8	-66.9	0	0	0	0	113.3	M722 S728	M722-C726 WeakPolarHBondContact O-CB 3.34Å; M722-C726 PolarHBondContact O-N 3.45Å; M722-C726 PolarHBondContact O-SG 3.35Å; M722-C726 VanDerWaalsContact O-SG 3.35Å; C726-S728 PolarHBondContact O-N 3.04Å
727	T	36.8	Very low	41.3	Very low	120 Å²	120	116 Å²	116	74%	0.736	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	1.3	166.3	44.8	0	0	0	0	113.9	E723 Y724 N725	E723-T727 WeakPolarHBondContact O-CG2 3.47Å; E723-T727 PolarHBondContact O-OG1 3.21Å; Y724-T727 PolarHBondContact O-OG1 3.1Å; N725-T727 PolarHBondContact O-N 3.3Å
728	S	35.2	Very low	40.2	Very low	94 Å²	94	119.7 Å²	119.7	66%	0.657	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.9	-13.7	-179.4	73.9	0	0	0	0	116.2	N725 C726	N725-S728 WeakPolarHBondContact O-CA 3.42Å; N725-S728 PolarHBondContact O-N 3.43Å; N725-S728 PolarHBondContact O-OG 3.44Å; C726-S728 PolarHBondContact O-N 3.04Å
729	A	30	Very low	38.8	Very low	68 Å²	68	123.1 Å²	123.1	56%	0.562	66%	0.664	S	S	*	*	S	Bend	trans	-145.8	87.2	-178	0	0	0	0	0	113	N725	N725-A729 PolarHBondContact O-N 3.31Å; N725-A729 VanDerWaalsContact O-N 3.08Å
730	N	30.8	Very low	37.5	Very low	133 Å²	133	123.1 Å²	123.1	71%	0.711	68%	0.68	S	S	*	*			trans	-172.1	102.7	158.7	-103	-33.1	0	0	0	111
731	Y	30.4	Very low	36.4	Very low	185 Å²	185	127.8 Å²	127.8	73%	0.725	70%	0.7	S	S	*	*			trans	178.6	98.1	145.4	-105.9	-66.2	0	0	0	110.7
732	S	29.4	Very low	35.3	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	71%	0.708	S	S	*	*			trans	-166.6	77.9	158.5	178.9	0	0	0	0	111.2
733	M	30	Very low	34.5	Very low	177 Å²	177	127.9 Å²	127.9	87%	0.872	72%	0.719	S	S	*	*			trans	-178	95.6	140	-96.4	-49.3	157.8	0	0	108.1
734	D	31.2	Very low	33.7	Very low	130 Å²	130	126.1 Å²	126.1	70%	0.695	73%	0.727	S	S	*	*			trans	-139.6	100.6	169.9	-151.4	-6.4	0	0	0	108.9
735	S	31.7	Very low	33.2	Very low	112 Å²	112	124.7 Å²	124.7	78%	0.783	74%	0.736	S	S	*	*			trans	-90.3	122	-165.6	54.4	0	0	0	0	111.6
736	N	35	Very low	33	Very low	139 Å²	139	126.4 Å²	126.4	74%	0.743	75%	0.749	S	S	*	*			trans	-112.6	80	-178.2	-88.3	-86.8	0	0	0	113
737	N	31.7	Very low	32.9	Very low	141 Å²	141	129.7 Å²	129.7	75%	0.754	76%	0.762	S	S	*	*				44.9	97.4	126.8	-174.7	5.7	0	0	0	118.2
738	V	35.7	Very low	32.8	Very low	135 Å²	135	130.3 Å²	130.3	82%	0.818	76%	0.761	S	S	*	*			trans	-136.5	86.1	153.6	-172.2	0	0	0	0	111.5
739	K	34.8	Very low	32.9	Very low	197 Å²	197	132.1 Å²	132.1	86%	0.857	77%	0.768	S	S	*	*				39.5	98.5	128.9	-171.9	-179.4	-178.4	177.9	0	118.2
740	G	34.2	Very low	33.3	Very low	81 Å²	81	135.7 Å²	135.7	84%	0.835	78%	0.778	S	S	*	*			trans	-165.2	138.4	169.5	0	0	0	0	0	115.3
741	H	35	Very low	33.8	Very low	177 Å²	177	140.5 Å²	140.5	82%	0.819	79%	0.787	S	S	*	*			trans	-62	147.2	-172.1	-86.3	-39.2	0	0	0	119.5
742	I	31.4	Very low	34.3	Very low	151 Å²	151	139.1 Å²	139.1	77%	0.774	79%	0.793	S	S	*	*				58.7	130.5	127	-55.7	167.1	0	0	0	120.8
743	G	32.7	Very low	34.9	Very low	69 Å²	69	141.2 Å²	141.2	71%	0.711	80%	0.795	S	S	*	*			trans	94.7	119.3	161.8	0	0	0	0	0	113.4
744	A	30.7	Very low	35.4	Very low	98 Å²	98	135.5 Å²	135.5	81%	0.81	78%	0.782	S	S	*	*			cis	88.7	136.8	30.8	0	0	0	0	0	114.8
745	V	34.6	Very low	35.9	Very low	135 Å²	135	135.9 Å²	135.9	82%	0.818	78%	0.784	S	S	*	*			trans	72.2	105.7	-177	-167.5	0	0	0	0	111.6
746	V	36	Very low	36.3	Very low	127 Å²	127	137 Å²	137	77%	0.77	78%	0.777	S	S	*	*				66.5	110.4	67.4	179.3	0	0	0	0	113.2
747	D	34.2	Very low	36.6	Very low	144 Å²	144	137.4 Å²	137.4	77%	0.77	78%	0.776	S	S	*	*				-170.9	179.1	109.3	-140.9	-32.7	0	0	0	111.2
748	N	33.6	Very low	37.1	Very low	133 Å²	133	137.9 Å²	137.9	71%	0.711	78%	0.778	S	S	*	*			trans	-91.2	169.8	-176.1	-54.3	-90.4	0	0	0	112.7
749	T	38.8	Very low	37.2	Very low	132 Å²	132	139.5 Å²	139.5	81%	0.81	78%	0.777	S	S	*	*				179	141.5	115.7	37.4	0	0	0	0	110.9
750	D	36.6	Very low	37.4	Very low	143 Å²	143	137.3 Å²	137.3	77%	0.765	78%	0.78	S	S	*	*			trans	-71.3	172.5	170	-43.6	-90.4	0	0	0	112.7
751	Y	42	Very low	37.5	Very low	234 Å²	234	140.6 Å²	140.6	92%	0.918	77%	0.774	S	S	*	*			trans	-164.4	160	130	-97.9	-58.5	0	0	0	111.9
752	D	40.1	Very low	37.7	Very low	156 Å²	156	143 Å²	143	83%	0.834	78%	0.777	S	S	*	*			trans	-109.3	-172.4	-149.5	-160.6	-0.5	0	0	0	113.7
753	D	42.9	Very low	37.8	Very low	154 Å²	154	143 Å²	143	82%	0.824	77%	0.774	S	S	*	*			trans	78.5	135.1	159.1	-152.3	35.4	0	0	0	117.5
754	G	41.1	Very low	37.8	Very low	58 Å²	58	147.1 Å²	147.1	60%	0.598	78%	0.779	S	S	*	*			cis	174.3	168.4	-6.3	0	0	0	0	0	113.5
755	N	40.5	Very low	37.9	Very low	138 Å²	138	151.3 Å²	151.3	74%	0.738	78%	0.782	S	S	*	*			trans	63.6	152.9	166.8	-77	38.5	0	0	0	120.1
756	E	41.6	Very low	37.8	Very low	135 Å²	135	152.5 Å²	152.5	63%	0.631	78%	0.782	S	S	*	*			cis	-175.4	133.2	-13.5	168.4	173.9	-154.8	0	0	111.5
757	M	41.6	Very low	37.6	Very low	148 Å²	148	155 Å²	155	73%	0.729	79%	0.79	S	S	*	*			trans	50.1	161.8	159.9	-68.1	-170.1	-77.1	0	0	120.2
758	D	41	Very low	37.3	Very low	151 Å²	151	151.3 Å²	151.3	81%	0.807	79%	0.787	S	S	*	*			cis	-125.9	172.3	16.1	-81.4	-58.8	0	0	0	114.3
759	E	37	Very low	37.3	Very low	168 Å²	168	149.2 Å²	149.2	79%	0.785	79%	0.788	S	S	*	*			trans	-82.9	157.3	-170.7	-51.5	165.9	141.6	0	0	116.1
760	V	40	Very low	37.3	Very low	152 Å²	152	154.9 Å²	154.9	92%	0.921	79%	0.794	S	S	*	*				-164.8	135.9	113.1	-93.9	0	0	0	0	111
761	E	35.9	Very low	37.1	Very low	150 Å²	150	154.8 Å²	154.8	70%	0.701	79%	0.794	S	S	*	*			trans	-89.7	160.2	-172.5	-54.3	162.8	127.1	0	0	113.7
762	Y	39.6	Very low	36.9	Very low	228 Å²	228	151 Å²	151	89%	0.894	79%	0.789	S	S	*	*				-161.6	146.5	110.7	-120.8	-92	0	0	0	110
763	E	34.4	Very low	36.8	Very low	151 Å²	151	150.5 Å²	150.5	71%	0.706	79%	0.787	S	S	*	*			trans	-90.9	162.8	-150.1	-56.8	175.7	115.7	0	0	116.8
764	N	31.4	Very low	36.3	Very low	154 Å²	154	150 Å²	150	82%	0.824	78%	0.784	S	S	*	*			trans	-126.3	153.4	157.7	-87.2	-53.7	0	0	0	108.7
765	E	32.6	Very low	36.1	Very low	187 Å²	187	152.2 Å²	152.2	87%	0.874	79%	0.791	S	S	*	*			trans	56.1	107.8	162.2	-63.3	-177.8	160.8	0	0	119.4
766	I	33.4	Very low	35.8	Very low	159 Å²	159	150.9 Å²	150.9	82%	0.815	79%	0.788	S	S	*	*			trans	-130.9	125.6	142.7	-66.8	-173.3	0	0	0	110.2
767	L	30.5	Very low	35.5	Very low	179 Å²	179	149.2 Å²	149.2	94%	0.937	78%	0.783	S	S	*	*			trans	-100	134.4	157.3	-78.8	162.8	0	0	0	108
768	G	29.8	Very low	35.1	Very low	68 Å²	68	151.4 Å²	151.4	70%	0.701	78%	0.783	S	S	*	*			trans	169	121.7	171.9	0	0	0	0	0	113.9
769	A	32.7	Very low	35	Very low	89 Å²	89	151.7 Å²	151.7	74%	0.736	78%	0.783	S	S	*	*			trans	-82	151.3	176.8	0	0	0	0	0	112.3
770	W	37.8	Very low	35	Very low	250 Å²	250	149.4 Å²	149.4	95%	0.947	78%	0.775	S	S	*	*			trans	-137.5	140.2	162.8	-78.5	69	0	0	0	107.8
771	D	33.6	Very low	34.8	Very low	141 Å²	141	147.9 Å²	147.9	75%	0.754	76%	0.762	S	S	*	*			trans	-105.3	174.6	-170	-66.2	-66.4	0	0	0	113.7
772	D	37.5	Very low	34.9	Very low	154 Å²	154	148.6 Å²	148.6	82%	0.824	77%	0.765	S	S	*	*			trans	65.7	145.5	166.6	-62.2	-33	0	0	0	117.2
773	D	37.6	Very low	34.8	Very low	147 Å²	147	142.7 Å²	142.7	79%	0.786	75%	0.754	S	S	*	*			cis	-152.4	175	45	-151.5	-15.4	0	0	0	115.1
774	N	33.4	Very low	34.6	Very low	142 Å²	142	141.8 Å²	141.8	76%	0.759	76%	0.759	S	S	*	*			trans	-68	152.9	-165.1	-82.7	-87.8	0	0	0	118.7
775	S	35.8	Very low	34.8	Very low	105 Å²	105	138.2 Å²	138.2	73%	0.734	76%	0.759	S	S	*	*				-163.8	125.4	121.2	-166.8	0	0	0	0	115.1
776	T	35	Very low	34.9	Very low	110 Å²	110	137.7 Å²	137.7	68%	0.675	76%	0.756	S	S	*	*			trans	-5.1	156.7	144.4	23.1	0	0	0	0	121.1
777	D	35.6	Very low	35	Very low	101 Å²	101	137.7 Å²	137.7	54%	0.54	75%	0.753	S	S	.	*			cis	-163.9	151	20.9	-140.3	-21.5	0	0	0	114.8
778	R	33.3	Very low	35.2	Very low	194 Å²	194	137.4 Å²	137.4	73%	0.732	75%	0.747	S	S	*	*			trans	48	154.7	158.9	-69.7	156	-128.9	-155	10.6	119.3	I780	R778-I780 HydrophobicContact CG-CD1 4.05Å
779	I	38.2	Very low	35.1	Very low	157 Å²	157	146.4 Å²	146.4	81%	0.805	76%	0.76	S	S	*	*			cis	-148.6	130.8	33.7	-65.1	167.2	0	0	0	106.2
780	I	36.6	Very low	35	Very low	119 Å²	119	145.8 Å²	145.8	61%	0.61	76%	0.762	S	S	*	*			cis	86.9	108	49.2	-64.7	178.5	0	0	0	115	R778	R778-I780 HydrophobicContact CG-CD1 4.05Å
781	N	36.6	Very low	34.5	Very low	120 Å²	120	141.4 Å²	141.4	64%	0.642	76%	0.757	S	S	*	*			trans	71.5	152.1	154.9	-63.6	-2.2	0	0	0	119.8
782	H	38.2	Very low	34.5	Very low	166 Å²	166	142.7 Å²	142.7	77%	0.769	76%	0.758	S	S	*	*			cis	-158.5	173.2	-11.3	-107	-13.6	0	0	0	111.2
783	P	37.1	Very low	34.2	Very low	103 Å²	103	142.2 Å²	142.2	67%	0.669	75%	0.751	S	S	*	*			trans	-126.8	-179.4	-154.4	44.5	-32.7	0	0	0	118.4
784	T	31.1	Very low	34	Very low	133 Å²	133	142.8 Å²	142.8	82%	0.816	75%	0.747	S	S	*	*			trans	84.1	119.3	151.6	-46.2	0	0	0	0	119.8
785	G	34.9	Very low	33.9	Very low	79 Å²	79	142.3 Å²	142.3	81%	0.814	74%	0.744	S	S	*	*			trans	-160.6	133.3	161.6	0	0	0	0	0	110.6
786	Q	34.2	Very low	33.8	Very low	175 Å²	175	146.5 Å²	146.5	82%	0.818	75%	0.749	S	S	*	*			trans	-99.6	143.5	-176.6	-61.3	173	-9.7	0	0	111.2
787	Q	34.8	Very low	33.6	Very low	160 Å²	160	148.8 Å²	148.8	75%	0.748	76%	0.756	S	S	*	*				172.5	141.1	114.2	-92.8	-179.5	50.6	0	0	115.3
788	Q	34.6	Very low	33.6	Very low	172 Å²	172	150 Å²	150	80%	0.804	77%	0.769	S	S	*	*			trans	51	121.3	143.4	-55.7	-169.5	33.1	0	0	123.1
789	R	28	Very low	33.4	Very low	258 Å²	258	152.1 Å²	152.1	97%	0.974	78%	0.777	S	S	*	*			trans	-8.1	128.5	154.9	-65.8	176.8	170.3	-172.2	-3.7	119
790	G	30.6	Very low	33.3	Very low	75 Å²	75	155.7 Å²	155.7	77%	0.773	78%	0.782	S	S	*	*			trans	-162.6	120.4	153.2	0	0	0	0	0	111.8
791	N	27.2	Very low	33.1	Very low	159 Å²	159	157.7 Å²	157.7	85%	0.85	79%	0.793	S	S	*	*			trans	-89.1	117.8	176.6	-79.5	-6.2	0	0	0	110.8
792	Q	34.7	Very low	32.9	Very low	168 Å²	168	156.4 Å²	156.4	79%	0.785	79%	0.786	S	S	*	*			trans	-172.6	122.9	144.3	-107.8	150.9	94.9	0	0	115.3
793	Q	31.2	Very low	32.6	Very low	143 Å²	143	153.4 Å²	153.4	67%	0.668	78%	0.781	S	S	*	*			trans	67.8	153.8	138.1	-65.4	176	-16.2	0	0	123.8
794	F	32.7	Very low	32.5	Very low	159 Å²	159	157.4 Å²	157.4	70%	0.697	79%	0.789	S	S	*	*			trans	79.3	95.9	155.4	-61	-53.1	0	0	0	122.2
795	N	31.9	Very low	32.5	Very low	132 Å²	132	158.8 Å²	158.8	71%	0.706	79%	0.786	S	S	*	*				124.9	145.3	93.8	-97	-23	0	0	0	119.9
796	K	32.5	Very low	32.3	Very low	193 Å²	193	160 Å²	160	84%	0.839	78%	0.782	S	S	*	*			trans	70.5	91.5	158.1	-68.3	172.3	-179.3	-179.1	0	119.6
797	I	31.9	Very low	32.1	Very low	159 Å²	159	163.7 Å²	163.7	82%	0.815	79%	0.789	S	S	*	*			trans	-126	139	139.2	-62.1	178.5	0	0	0	106.6
798	P	34.5	Very low	31.9	Very low	126 Å²	126	161.1 Å²	161.1	82%	0.818	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-68.5	137.6	-177.6	-17.9	31.8	0	0	0	112.5
799	R	30.9	Very low	31.8	Very low	238 Å²	238	159.2 Å²	159.2	90%	0.898	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-99.4	127.2	163.3	-70.5	-170.9	178.6	-163.3	0	109.2
800	Y	34.8	Very low	32	Very low	233 Å²	233	152.4 Å²	152.4	91%	0.914	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-76.5	151.7	150.6	-107.8	-101.1	0	0	0	108.7
801	L	32.3	Very low	32	Very low	161 Å²	161	153.4 Å²	153.4	84%	0.843	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-77.2	138.7	-179.6	-81.4	74.4	0	0	0	110.9
802	D	32.5	Very low	32.2	Very low	92 Å²	92	155.2 Å²	155.2	49%	0.492	77%	0.774	S	S	.	*	P	Polyproline II helix	trans	-97.1	116.3	163.8	179.1	-12.4	0	0	0	107.8	F804 Q805	D802-F804 VanDerWaalsContact C-N 3.28Å; D802-F804 PolarHBondContact O-N 3.37Å; D802-F804 PolarHBondContact OD1-N 3.18Å; D802-Q805 PolarHBondContact OD2-NE2 3.32Å
803	P	32.2	Very low	32	Very low	103 Å²	103	153.7 Å²	153.7	67%	0.669	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-8.7	-179.2	-18.5	32.9	0	0	0	115.4
804	F	35.2	Very low	31.9	Very low	188 Å²	188	154.4 Å²	154.4	83%	0.825	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.9	37.6	-164.7	-69.8	-73.5	0	0	0	115.3	D802	D802-F804 VanDerWaalsContact C-N 3.28Å; D802-F804 PolarHBondContact O-N 3.37Å; D802-F804 PolarHBondContact OD1-N 3.18Å
805	Q	31.5	Very low	31.8	Very low	161 Å²	161	152 Å²	152	75%	0.752	78%	0.777	S	S	*	*			trans	-128.8	62.5	172.5	-70.2	-167.6	52.7	0	0	114.6	D802	D802-Q805 PolarHBondContact OD2-NE2 3.32Å
806	S	29.9	Very low	31.6	Very low	105 Å²	105	151 Å²	151	73%	0.734	78%	0.781	S	S	*	*			trans	-155.1	70.5	166.8	55.1	0	0	0	0	115.3
807	R	30.7	Very low	31.6	Very low	253 Å²	253	148.4 Å²	148.4	96%	0.955	78%	0.776	S	S	*	*			trans	-167.6	91.5	149.2	-104.5	155.3	-157	-107	5	110.7
808	S	30.3	Very low	31.6	Very low	105 Å²	105	148.1 Å²	148.1	73%	0.734	78%	0.776	S	S	*	*			trans	-68.6	153.1	164.4	36.5	0	0	0	0	110.5	T810	S808-T810 PolarHBondContact O-N 3.47Å
809	P	31.5	Very low	31.5	Very low	133 Å²	133	152.2 Å²	152.2	86%	0.864	78%	0.777	S	S	*	*			trans	-76	121.6	-169.3	29.1	-34.8	0	0	0	112.5
810	T	32.4	Very low	31.4	Very low	115 Å²	115	146 Å²	146	71%	0.706	77%	0.769	S	S	*	*			trans	-95.2	114.6	170.4	-57	0	0	0	0	109.9	S808 F812	S808-T810 PolarHBondContact O-N 3.47Å; T810-F812 HydrophobicContact CG2-CD2 4.36Å; T810-F812 HydrophobicContact CG2-CE2 4.02Å
811	S	31.3	Very low	31.4	Very low	96 Å²	96	144.2 Å²	144.2	67%	0.671	77%	0.77	S	S	*	*			trans	-72.4	126.3	174	55.1	0	0	0	0	111.6
812	F	31.2	Very low	31.2	Very low	197 Å²	197	141.4 Å²	141.4	86%	0.864	76%	0.763	S	S	*	*			trans	-107.3	139	155.9	-84.5	-85.4	0	0	0	110	T810	T810-F812 HydrophobicContact CG2-CD2 4.36Å; T810-F812 HydrophobicContact CG2-CE2 4.02Å
813	I	31.3	Very low	31.3	Very low	136 Å²	136	143.4 Å²	143.4	70%	0.697	78%	0.779	S	S	*	*			trans	-128.4	153.3	-174.8	-42.8	177.7	0	0	0	107.2
814	L	29.2	Very low	31.1	Very low	157 Å²	157	146.1 Å²	146.1	82%	0.822	79%	0.786	S	S	*	*			trans	81.1	158.6	170.5	-48.5	175.5	0	0	0	115.8
815	P	30.3	Very low	31.1	Very low	108 Å²	108	142.5 Å²	142.5	70%	0.701	78%	0.784	S	S	*	*			cis	-116.6	144.5	-8.9	20.1	0.9	0	0	0	113.9
816	S	27.1	Very low	31	Very low	112 Å²	112	142.2 Å²	142.2	78%	0.783	79%	0.788	S	S	*	*			trans	-69.2	131.3	156.3	47.4	0	0	0	0	109.5
817	N	33.3	Very low	31.2	Very low	138 Å²	138	148.3 Å²	148.3	74%	0.738	80%	0.797	S	S	*	*			trans	-135.5	87.1	174.1	-129.9	-7.5	0	0	0	110.5	Y819	N817-Y819 PolarHBondContact O-N 3.05Å
818	N	30.6	Very low	31.4	Very low	153 Å²	153	144.3 Å²	144.3	82%	0.818	79%	0.786	S	S	*	*			trans	-75.2	116.6	166.3	-76.9	-38.7	0	0	0	108.5
819	Y	33	Very low	31.7	Very low	213 Å²	213	147.8 Å²	147.8	84%	0.835	79%	0.791	S	S	*	*			trans	-127.3	110.6	159.1	-107.1	-82.5	0	0	0	111.1	N817	N817-Y819 PolarHBondContact O-N 3.05Å
820	S	29.6	Very low	31.8	Very low	106 Å²	106	146.2 Å²	146.2	74%	0.741	78%	0.783	S	S	*	*			trans	-78.6	135.2	179.5	-44.8	0	0	0	0	110.9
821	Q	33.5	Very low	31.8	Very low	196 Å²	196	151.8 Å²	151.8	92%	0.916	79%	0.791	S	S	*	*			trans	-151.5	141.9	147.4	-119.9	164.2	65.5	0	0	111.9
822	S	28.8	Very low	32.1	Very low	102 Å²	102	154.1 Å²	154.1	71%	0.713	80%	0.795	S	S	*	*			trans	-140.7	111	-157.9	56.3	0	0	0	0	113.4
823	T	33.6	Very low	32.2	Very low	135 Å²	135	150.6 Å²	150.6	83%	0.828	79%	0.786	S	S	*	*			trans	-154.2	120	165.5	43.3	0	0	0	0	106
824	I	30	Very low	32.5	Very low	159 Å²	159	150.6 Å²	150.6	82%	0.815	79%	0.787	S	S	*	*			cis	57.7	89.8	37.7	-48.8	-177.1	0	0	0	113.1
825	S	33.9	Very low	32.8	Very low	112 Å²	112	147 Å²	147	78%	0.783	78%	0.775	S	S	*	*			trans	-165	120.6	134.1	58.8	0	0	0	0	111.2
826	N	30.4	Very low	32.8	Very low	156 Å²	156	148.7 Å²	148.7	83%	0.834	78%	0.778	S	S	*	*			trans	-77.6	144.1	160.9	-72.4	-82.4	0	0	0	109
827	Y	33.5	Very low	33.1	Very low	233 Å²	233	153.6 Å²	153.6	91%	0.914	78%	0.781	S	S	*	*			trans	-142	158.1	148.7	-109.4	-79.5	0	0	0	112.1
828	K	35.2	Very low	32.9	Very low	169 Å²	169	151.6 Å²	151.6	74%	0.735	78%	0.778	S	S	*	*			trans	-116.8	170.2	-167.3	-75.5	175.9	172.1	172.4	0	111.6
829	Q	35.2	Very low	33.1	Very low	178 Å²	178	149 Å²	149	83%	0.832	77%	0.772	S	S	*	*			trans	73.6	150.8	156.2	-74.2	144.9	-17	0	0	115.2
830	S	34.5	Very low	33.1	Very low	100 Å²	100	146.3 Å²	146.3	70%	0.699	77%	0.772	S	S	*	*			cis	-157.5	151.6	3	40.4	0	0	0	0	112.7
831	R	33.1	Very low	33.3	Very low	232 Å²	232	146.4 Å²	146.4	88%	0.875	77%	0.772	S	S	*	*			trans	39.5	134	142.7	-53.5	176.2	-178.9	179.4	-0.2	118.4
832	L	36.6	Very low	33.4	Very low	145 Å²	145	146.9 Å²	146.9	76%	0.759	77%	0.772	S	S	*	*				-162.5	154.2	58.9	-82.8	167.1	0	0	0	112.6
833	N	34.2	Very low	33.7	Very low	123 Å²	123	152.3 Å²	152.3	66%	0.658	78%	0.776	S	S	*	*			trans	22.4	147.1	133.4	-63.1	53.6	0	0	0	121.1
834	D	36.5	Very low	33.9	Very low	135 Å²	135	152.5 Å²	152.5	72%	0.722	77%	0.771	S	S	*	*			cis	-159	157.7	7.6	-116.7	-28.9	0	0	0	116.1
835	S	35	Very low	34.3	Very low	83 Å²	83	151.4 Å²	151.4	58%	0.58	76%	0.762	S	S	*	*			trans	27.5	115.4	154.1	69.3	0	0	0	0	125.3
836	N	31.4	Very low	34.5	Very low	143 Å²	143	155.6 Å²	155.6	77%	0.765	77%	0.766	S	S	*	*				66.8	156.8	115	-57.9	-26	0	0	0	125.6
837	Y	32.3	Very low	34.9	Very low	214 Å²	214	154.4 Å²	154.4	84%	0.839	76%	0.76	S	S	*	*			trans	96.4	87.7	156.9	-78.3	-79.8	0	0	0	122.7
838	S	30.5	Very low	35.1	Very low	97 Å²	97	154 Å²	154	68%	0.678	76%	0.758	S	S	*	*				59.1	113.8	113.6	-157.2	0	0	0	0	123.1
839	S	34.6	Very low	35.1	Very low	98 Å²	98	151.5 Å²	151.5	69%	0.685	76%	0.758	S	S	*	*			trans	80.5	135	132.8	-59.4	0	0	0	0	123.9
840	N	32.5	Very low	35.1	Very low	156 Å²	156	148.9 Å²	148.9	83%	0.834	75%	0.754	S	S	*	*			trans	91.9	141.5	140.8	-79.7	-24.9	0	0	0	124.1
841	S	34.4	Very low	35.2	Very low	108 Å²	108	148.6 Å²	148.6	76%	0.755	76%	0.758	S	S	*	*			trans	78.8	86.7	145.4	-64.6	0	0	0	0	123.4
842	K	35.8	Very low	35.4	Very low	207 Å²	207	142 Å²	142	90%	0.9	75%	0.753	S	S	*	*				13.1	136.1	124.1	-70.7	178	169.7	174.4	0	120.8
843	R	35.4	Very low	35.6	Very low	215 Å²	215	139 Å²	139	81%	0.811	75%	0.749	S	S	*	*				122.6	159.1	119.7	-151	177.1	-173.3	-177.2	2.6	117.8
844	I	36.2	Very low	36	Very low	140 Å²	140	140 Å²	140	72%	0.718	75%	0.754	S	S	*	*			trans	92.7	106.5	164.2	-55.5	171.6	0	0	0	113
845	H	38.1	Very low	36.5	Very low	136 Å²	136	140.2 Å²	140.2	63%	0.63	76%	0.756	S	S	*	*				84.6	125.5	53.9	-83.3	-72.5	0	0	0	115.6
846	K	39.8	Very low	37	Very low	199 Å²	199	143.3 Å²	143.3	87%	0.865	77%	0.765	S	S	*	*				-174.2	168.7	125	-98.2	157.6	-174.3	-178.7	0	112.1
847	N	37.5	Very low	37.7	Very low	131 Å²	131	143.5 Å²	143.5	70%	0.701	77%	0.767	S	S	*	*			trans	-130.9	173	-162	-44.8	-12.8	0	0	0	112.1
848	Y	37.7	Very low	38.3	Very low	224 Å²	224	141.2 Å²	141.2	88%	0.878	77%	0.769	S	S	*	*			trans	165.4	-179.3	145	-83.5	-43.9	0	0	0	109.6
849	T	36.5	Very low	38.8	Very low	118 Å²	118	144.2 Å²	144.2	72%	0.724	78%	0.777	S	S	*	*				170.5	141	-57	-91.6	0	0	0	0	109.2
850	T	34.3	Very low	39.2	Very low	122 Å²	122	146.8 Å²	146.8	75%	0.748	79%	0.788	S	S	*	*			cis	-170.8	167.3	-14.4	-76.1	0	0	0	0	107.4
851	A	36.7	Very low	39.6	Very low	95 Å²	95	147 Å²	147	79%	0.785	78%	0.784	S	S	*	*			trans	83.1	158.6	169	0	0	0	0	0	117.1
852	A	37.7	Very low	39.4	Very low	93 Å²	93	148.6 Å²	148.6	77%	0.769	78%	0.783	S	S	*	*			cis	-172.4	174.2	-26.9	0	0	0	0	0	109.7
853	A	40.5	Very low	39.5	Very low	83 Å²	83	142 Å²	142	69%	0.686	77%	0.774	S	S	*	*			trans	70.2	153.9	169.4	0	0	0	0	0	118.4
854	D	42.5	Very low	39.4	Very low	143 Å²	143	139.2 Å²	139.2	77%	0.765	78%	0.775	S	S	*	*			cis	-165.6	175.2	-23.8	-92.5	-25.9	0	0	0	109.2
855	D	46.5	Very low	39.3	Very low	140 Å²	140	142.7 Å²	142.7	75%	0.749	78%	0.781	S	S	*	*			trans	72	121.1	156.4	-54.4	-20.2	0	0	0	125.1
856	D	45.9	Very low	39	Very low	147 Å²	147	143.4 Å²	143.4	79%	0.786	79%	0.787	S	S	*	*				80.6	148.7	125.2	-61.1	-0.4	0	0	0	127.4
857	D	45.4	Very low	38.8	Very low	148 Å²	148	140.9 Å²	140.9	79%	0.791	78%	0.782	S	S	*	*			trans	-74.5	165.7	-162.7	-57.8	-52.6	0	0	0	118.5
858	D	46.4	Very low	38.5	Very low	166 Å²	166	141.3 Å²	141.3	89%	0.888	78%	0.784	S	S	*	*				-177.4	148.5	119.3	-107.9	-26.1	0	0	0	113.9
859	D	40.4	Very low	38.4	Very low	160 Å²	160	135.3 Å²	135.3	86%	0.856	78%	0.775	S	S	*	*			trans	-97.4	139.5	179.7	-80.9	-53	0	0	0	113.5
860	V	43.1	Very low	38.4	Very low	151 Å²	151	138.6 Å²	138.6	92%	0.915	78%	0.782	S	S	*	*			trans	-143.6	141.3	160.5	-173.1	0	0	0	0	112.7
861	E	39.9	Very low	38.6	Very low	160 Å²	160	142.3 Å²	142.3	75%	0.748	79%	0.791	S	S	*	*			trans	-94.9	161.1	-172.9	-113.4	-168.4	140.5	0	0	116.1
862	I	32	Very low	38.4	Very low	143 Å²	143	144.3 Å²	144.3	73%	0.733	79%	0.786	S	S	*	*			trans	63.1	129.7	147.5	-64.8	164.2	0	0	0	119.7
863	G	36.5	Very low	38.3	Very low	69 Å²	69	147.7 Å²	147.7	71%	0.711	79%	0.791	S	S	*	*			trans	-170.8	73.7	167.2	0	0	0	0	0	114.6
864	N	34.1	Very low	37.9	Very low	155 Å²	155	152.3 Å²	152.3	83%	0.829	80%	0.798	S	S	*	*			trans	-72	131.2	173.6	-75.1	-23.2	0	0	0	111.5
865	Y	33.1	Very low	37.6	Very low	214 Å²	214	153.9 Å²	153.9	84%	0.839	80%	0.801	S	S	*	*			trans	-138.1	126.6	158.4	-97.1	-85.1	0	0	0	111	I867	Y865-I867 HydrophobicContact CD1-CD1 4.4Å; Y865-I867 HydrophobicContact CD1-CG1 4.46Å
866	I	32.6	Very low	36.8	Very low	150 Å²	150	158.5 Å²	158.5	77%	0.769	81%	0.81	S	S	*	*			trans	-110.7	124.7	165.9	-62.7	171.1	0	0	0	105.9
867	I	34.9	Very low	36.1	Very low	147 Å²	147	164.9 Å²	164.9	75%	0.754	83%	0.831	S	S	*	*			trans	-139.1	125	165.8	-61	-176.6	0	0	0	106.8	Y865	Y865-I867 HydrophobicContact CD1-CD1 4.4Å; Y865-I867 HydrophobicContact CD1-CG1 4.46Å
868	D	31.2	Very low	35.6	Very low	139 Å²	139	165.8 Å²	165.8	74%	0.743	83%	0.833	S	S	*	*			trans	-88.8	178.3	175.9	-81.9	-55.4	0	0	0	112
869	S	36.1	Very low	35	Very low	99 Å²	99	165.7 Å²	165.7	69%	0.692	83%	0.83	S	S	*	*			trans	87.5	105.7	161.5	-62.8	0	0	0	0	118.9
870	E	36.5	Very low	34.7	Very low	186 Å²	186	166.1 Å²	166.1	87%	0.869	83%	0.829	S	S	*	*				58.6	96.9	125.3	-61.4	175.2	179.8	0	0	118.9
871	E	37.7	Very low	34.2	Very low	201 Å²	201	166.9 Å²	166.9	94%	0.939	82%	0.824	S	S	*	*				-142.1	149.6	124.7	-148.1	166.2	-154.4	0	0	112.3
872	M	33.7	Very low	33.9	Very low	137 Å²	137	167.4 Å²	167.4	68%	0.675	83%	0.829	S	S	*	*			trans	-68.9	153.8	-171.6	-61.7	-113.9	-64.6	0	0	113.7
873	N	35.4	Very low	34	Very low	163 Å²	163	169 Å²	169	87%	0.872	84%	0.835	S	S	*	*			trans	-161.4	116.7	131.7	-95.9	-49.5	0	0	0	111.1	E875	N873-E875 PolarHBondContact O-N 3.3Å
874	E	31.4	Very low	33.8	Very low	180 Å²	180	176.1 Å²	176.1	84%	0.841	84%	0.844	S	S	*	*			trans	-88.3	72.7	179.5	-64.9	-175.8	122.3	0	0	111.4
875	E	36.2	Very low	33.8	Very low	176 Å²	176	177.8 Å²	177.8	82%	0.822	85%	0.845	S	S	*	*			trans	-141.6	59.7	175.2	-161.7	176.2	-156	0	0	113.1	N873	N873-E875 PolarHBondContact O-N 3.3Å
876	Y	30.1	Very low	33.9	Very low	237 Å²	237	174.8 Å²	174.8	93%	0.929	85%	0.845	S	S	*	*			trans	-174.2	103.9	150.3	-116	-79.3	0	0	0	109.4
877	F	30.7	Very low	34	Very low	282 Å²	282	177 Å²	177	100%	1.237	85%	0.852	S	S	*	*			trans	-147.3	0	175.7	-124.6	-59.3	0	0	0	110.4

Retrieved 877 of 877 residues in 289.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).