A0A087X8U7_POEFO Loading...

Staphylococcal nuclease domain-containing protein

Endonuclease that mediates miRNA decay of both protein-free and AGO2-loaded miRNAs.

AlphaFold DB , UniProt , Accession A0A087X8U7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 911 aa.

						>A0A087X8U7_POEFO|A0A087X8U7
MASVSGPTQTAPVPASPLQRGIVKMVLSGCAIIVRGQPRGGPPPERQINLSNIRAGAIARRAAQGQPDTKDIPDEPWAFQAREFLRKKLIGKEVCFTVEIKTAIGREYGMVYLGKDTTGENIAESLVNEGLATVRREGIRGNNPEQARLCELEDQSKASKKGMWSEGGGTHTIRDLKYTIENPRNIVDSLHQKPINAIIEHVRDGSVVRALLLPDYYLVTVMLSGVKCPTFKREADGTETPEPFAAEAKFFTESRLLQRDVQIILESCHNQIILGTILHPNGNITELLLKEGFARCVDWSMAVYTQGPEKLRAAERSAKERKVRIWKDYVAPTANLDQKDRQFVAKVMQVVNADALVVKLNSGEYKTIHLSSIRPPRNEGEEKNKDKDKRFRPLYDIPYMFEAREFLRKKLIGKKVNVTVDYIRAATSPGEGTPAFSERTCATVTIGGINIAEALVSKGLATVIRYRQDDDQRSSHYDELLAAEARAIKNGKGLHSKKEVPIHRVADISGETQKAKQFLPFLQRAGRSEAVVEYVFSGSRLKLYMPKETCLITFLLAGIECPRSSRNTPGGMQMAEPFSDEAMLFTKELVLQREVEVEVESMDKAGNFIGWLHIEGVNLSVALVENALSKVHFTAERSAYYKALVSAEEACRQKKEKIWANYVEKPVEEVVHVSEEKERVANYRPVYVTEITDTLHFYAQDVETGGQLENLMETMRAEIAAHPPVEGSYSARRGDYCLAKFADGEWYRARVEKVESPAKVHVFYIDYGNREVVSSTRLAAMPPAFSTRTLPVQATEYTFAFIQVPQDDDARADVVDCVVRDIQNSQCLLNVEYSGATCPHVTIQFGDTKDDVGLGLVKEGLVMVDVRKEKHLQKMVTEYLNSQESAKSARLNIWRYGDFRADDADEFGYRR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	36.1	Very low	248 Å²	248	133.9 Å²	133.9	100%	1.222	85%	0.851	S	S	*	*				0	134.8	0	-76.4	-170.2	-167.9	0	0	108.1
2	A	38.8	Very low	36.3	Very low	103 Å²	103	133.2 Å²	133.2	85%	0.851	85%	0.847	S	S	*	*			trans	-69.2	145.6	-166.3	0	0	0	0	0	113.9
3	S	31.8	Very low	36.6	Very low	116 Å²	116	133.3 Å²	133.3	81%	0.811	85%	0.845	S	S	*	*			trans	-133.1	122.4	153.9	56.8	0	0	0	0	109.3
4	V	43.8	Very low	37	Very low	148 Å²	148	132.1 Å²	132.1	90%	0.897	84%	0.838	S	S	*	*			trans	-71	131.5	179.5	176.5	0	0	0	0	108.8
5	S	36	Very low	38.5	Very low	115 Å²	115	129.8 Å²	129.8	80%	0.804	84%	0.837	S	S	*	*			trans	-128.8	123.7	166	48.3	0	0	0	0	109.5
6	G	36.3	Very low	40.5	Very low	61 Å²	61	125.1 Å²	125.1	63%	0.629	81%	0.808	S	S	*	*			trans	-72.8	175.3	-175.5	0	0	0	0	0	114.1	T8	G6-T8 PolarHBondContact O-N 3.41Å
7	P	37.5	Very low	43	Very low	131 Å²	131	123.1 Å²	123.1	85%	0.851	80%	0.796	S	S	*	*			trans	-68.4	128.3	-172.2	28.1	-32.3	0	0	0	111	Q9	P7-Q9 PolarHBondContact O-N 3.14Å
8	T	33.3	Very low	45.6	Very low	140 Å²	140	120.6 Å²	120.6	86%	0.859	77%	0.774	S	S	*	*			trans	-68.6	115.3	177.5	-9.6	0	0	0	0	109.3	G6 T10	G6-T8 PolarHBondContact O-N 3.41Å; T8-T10 PolarHBondContact O-N 2.77Å
9	Q	34.1	Very low	48.2	Very low	188 Å²	188	117.9 Å²	117.9	88%	0.879	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-60.8	124.1	167.2	-80.9	175.5	-8.2	0	0	109.6	P7 A11	P7-Q9 PolarHBondContact O-N 3.14Å; Q9-A11 PolarHBondContact O-N 3.14Å
10	T	36.8	Very low	50.4	Low	136 Å²	136	119.5 Å²	119.5	83%	0.834	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-65.5	117.4	166.4	44.7	0	0	0	0	109.4	T8	T8-T10 PolarHBondContact O-N 2.77Å
11	A	33.5	Very low	52.5	Low	87 Å²	87	114 Å²	114	72%	0.719	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-61.4	143.9	174.1	0	0	0	0	0	111.4	Q9	Q9-A11 PolarHBondContact O-N 3.14Å
12	P	38.1	Very low	55.3	Low	125 Å²	125	103.4 Å²	103.4	81%	0.812	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-68.1	132.9	175.7	26.2	-30.7	0	0	0	110.9
13	V	40.4	Very low	58.1	Low	135 Å²	135	98.5 Å²	98.5	82%	0.818	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-62.9	130.3	173.3	-177.9	0	0	0	0	108.7	A15	V13-A15 PolarHBondContact O-N 3.28Å
14	P	42.8	Very low	61.1	Low	116 Å²	116	93.7 Å²	93.7	75%	0.753	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-64.2	127	179.5	24	-31.3	0	0	0	110.5	S16	P14-S16 PolarHBondContact O-N 2.95Å
15	A	58.6	Low	63.6	Low	98 Å²	98	88.3 Å²	88.3	81%	0.81	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-63.1	127.2	176.6	0	0	0	0	0	110.5	V13	V13-A15 PolarHBondContact O-N 3.28Å
16	S	70.1	Confident	66.5	Low	55 Å²	55	82.9 Å²	82.9	39%	0.385	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-57.4	135.7	176.6	-71	0	0	0	0	110.9	P14 L18 V98	P14-S16 PolarHBondContact O-N 2.95Å; S16-L18 PolarHBondContact O-N 3.16Å; S16-V98 VanDerWaalsContact CB-O 3.24Å; S16-V98 WeakPolarHBondContact CB-O 3.24Å; S16-V98 PolarHBondContact OG-O 2.82Å
17	P	84.4	Confident	69.3	Low	91 Å²	91	82 Å²	82	59%	0.591	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-65.7	130.8	-176.4	25.5	-33.3	0	0	0	111.1
18	L	89.9	Confident	71.9	Confident	78 Å²	78	78.4 Å²	78.4	41%	0.408	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-69.8	127	173.5	-175.2	67.1	0	0	0	110.1	S16 C95 T97 T117	S16-L18 PolarHBondContact O-N 3.16Å; L18-C95 HydrophobicContact CD1-CB 3.93Å; L18-C95 HydrophobicContact CG-CB 4.33Å; L18-T97 HydrophobicContact CD1-CG2 3.91Å; L18-T117 HydrophobicContact CD1-CG2 3.72Å; L18-T117 HydrophobicContact CD2-CG2 4.32Å
19	Q	93.4	Very high	74.5	Confident	69 Å²	69	73.3 Å²	73.3	32%	0.322	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	163	-179.1	-58	-170.8	41.9	0	0	111	C95 F96	Q19-C95 CarbonylContact O-C 3.54Å; Q19-C95 WeakPolarHBondContact O-CA 3.4Å; Q19-C95 VanDerWaalsContact O-CB 3.31Å; Q19-C95 WeakPolarHBondContact O-CB 3.28Å; Q19-F96 HydrophobicContact CB-CD2 4.3Å; Q19-F96 HydrophobicContact CB-CE1 4.06Å; Q19-F96 HydrophobicContact CB-CE2 3.81Å; Q19-F96 HydrophobicContact CB-CZ 3.68Å; Q19-F96 PolarHBondContact N-O 2.86Å; Q19-F96 PolarHBondContact O-N 2.95Å
20	R	93.4	Very high	77.1	Confident	149 Å²	149	64.5 Å²	64.5	56%	0.562	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.4	179	-60.6	-175.6	-168.2	168.6	6.4	111.2	V94 C95 K115	R20-V94 WeakPolarHBondContact CA-O 3.43Å; R20-C95 HydrophobicContact CG-CB 4.04Å; R20-K115 VanDerWaalsContact CZ-O 3.31Å; R20-K115 PolarHBondContact NE-O 3.46Å; R20-K115 PolarHBondContact NH2-O 3.03Å
21	G	93.8	Very high	79.8	Confident	6 Å²	6	58.1 Å²	58.1	6%	0.062	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	164.5	175.9	0	0	0	0	0	112	E93 V94	G21-E93 WeakPolarHBondContact O-CA 3.19Å; G21-V94 PolarHBondContact N-O 3.06Å; G21-V94 PolarHBondContact O-N 2.88Å
22	I	95.5	Very high	82.8	Confident	24 Å²	24	54 Å²	54	12%	0.123	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	129	173.9	-62	167.5	0	0	0	107.9	K24 V34 R35 K92	I22-K24 PolarHBondContact O-N 3.48Å; I22-K24 VanDerWaalsContact O-N 3.17Å; I22-V34 CarbonylContact O-C 3.58Å; I22-V34 WeakPolarHBondContact O-CA 3.34Å; I22-R35 HydrophobicContact CB-CG 4.28Å; I22-R35 PolarHBondContact N-O 3.45Å; I22-R35 WeakPolarHBondContact O-CG 3.32Å; I22-R35 PolarHBondContact O-N 3.14Å; I22-K92 WeakPolarHBondContact CA-O 3.48Å
23	V	96.8	Very high	85.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	115.8	179	-176	0	0	0	0	109.8	I32 V34 L89 I90 G91 K92 V94	V23-I32 HydrophobicContact CG1-CB 4.41Å; V23-I32 HydrophobicContact CG2-CD1 4.3Å; V23-V34 HydrophobicContact CG2-CG1 4.29Å; V23-L89 HydrophobicContact CB-CB 4.32Å; V23-L89 WeakPolarHBondContact CB-O 3.48Å; V23-L89 HydrophobicContact CG1-CB 4.07Å; V23-L89 HydrophobicContact CG2-CB 4.15Å; V23-I90 HydrophobicContact CG1-CD1 4.3Å; V23-G91 PolarHBondContact O-N 2.99Å; V23-K92 PolarHBondContact N-O 3.38Å; V23-V94 HydrophobicContact CG2-CB 4.31Å; V23-V94 HydrophobicContact CG2-CG1 3.65Å; V23-V94 HydrophobicContact CG2-CG2 3.63Å
24	K	95.7	Very high	88.2	Confident	16 Å²	16	42.9 Å²	42.9	7%	0.07	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-51.9	177.3	179.9	-177.4	178.7	-178	0	110.9	I22 I33 R35 E45 E253 L257	I22-K24 PolarHBondContact O-N 3.48Å; I22-K24 VanDerWaalsContact O-N 3.17Å; K24-I33 HydrophobicContact CB-CB 4.49Å; K24-I33 HydrophobicContact CB-CG2 4.26Å; K24-I33 HydrophobicContact CD-CG2 4.33Å; K24-I33 PolarHBondContact N-O 3.26Å; K24-R35 HydrophobicContact CB-CG 4.33Å; K24-E45 VanDerWaalsContact CD-CD 3.44Å; K24-E45 HydrophobicContact CD-CG 4.16Å; K24-E45 WeakPolarHBondContact CD-OE1 3.29Å; K24-E45 WeakPolarHBondContact CD-OE2 3.47Å; K24-E45 WeakPolarHBondContact CE-OE1 3.48Å; K24-E45 IonicContact NZ-OE1 3.95Å; K24-E45 PolarHBondContact NZ-OE1 3.1Å; K24-E45 IonicContact NZ-OE2 2.86Å; K24-E45 PolarHBondContact NZ-OE2 2.84Å; K24-E253 WeakPolarHBondContact CE-OE2 3.29Å; K24-E253 IonicContact NZ-OE1 2.63Å; K24-E253 IonicContact NZ-OE2 3.89Å; K24-E253 PolarHBondContact NZ-OE2 3.07Å; K24-L257 HydrophobicContact CD-CD2 4.47Å; K24-L257 HydrophobicContact CG-CD2 3.91Å
25	M	96.1	Very high	90.6	Very high	35 Å²	35	38.8 Å²	38.8	17%	0.172	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	157	-177.6	69.6	174.8	91	0	0	112.5	L27 I32 I33 L257 Q258	M25-L27 HydrophobicContact CG-CD2 4.04Å; M25-L27 HydrophobicContact SD-CD2 3.73Å; M25-I32 WeakPolarHBondContact O-CA 3.4Å; M25-I33 HydrophobicContact CE-CD1 4.1Å; M25-I33 HydrophobicContact CG-CB 3.88Å; M25-I33 HydrophobicContact CG-CD1 3.82Å; M25-I33 HydrophobicContact CG-CG1 3.93Å; M25-I33 PolarHBondContact N-O 3.39Å; M25-I33 PolarHBondContact O-N 2.84Å; M25-I33 HydrophobicContact SD-CD1 3.87Å; M25-L257 HydrophobicContact CB-CD2 4.06Å; M25-L257 HydrophobicContact CB-CG 4.45Å; M25-L257 HydrophobicContact CE-CD2 3.7Å; M25-Q258 HydrophobicContact CB-CG 4.45Å
26	V	96.8	Very high	92.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	128	170.9	-176.5	0	0	0	0	109.2	I32 R82 L85 I90 Q258	V26-I32 HydrophobicContact CG2-CG2 4.29Å; V26-R82 HydrophobicContact CG1-CG 4.1Å; V26-L85 HydrophobicContact CG1-CB 3.87Å; V26-L85 HydrophobicContact CG1-CD1 3.94Å; V26-L85 HydrophobicContact CG2-CB 3.91Å; V26-I90 HydrophobicContact CG2-CD1 4.2Å; V26-I90 HydrophobicContact CG2-CG1 4.46Å; V26-Q258 PolarHBondContact O-NE2 2.91Å
27	L	95.1	Very high	93	Very high	42 Å²	42	39.1 Å²	39.1	22%	0.22	21%	0.213	C	C	.	.			trans	-97.4	174.5	-178.2	-57.1	178.4	0	0	0	111.8	M25 C30 A31 I33 Q47	M25-L27 HydrophobicContact CG-CD2 4.04Å; M25-L27 HydrophobicContact SD-CD2 3.73Å; L27-C30 PolarHBondContact O-N 2.64Å; L27-A31 HydrophobicContact CB-CB 4.21Å; L27-A31 HydrophobicContact CD1-CB 4.34Å; L27-A31 PolarHBondContact N-O 3.26Å; L27-I33 HydrophobicContact CD1-CD1 4.07Å; L27-I33 HydrophobicContact CD1-CG1 3.83Å; L27-I33 HydrophobicContact CD2-CD1 4.07Å; L27-I33 HydrophobicContact CD2-CG1 4.32Å; L27-I33 HydrophobicContact CG-CD1 4.37Å; L27-I33 HydrophobicContact CG-CG1 4.12Å; L27-Q47 HydrophobicContact CD1-CG 3.88Å
28	S	91.8	Very high	93	Very high	55 Å²	55	37.7 Å²	37.7	39%	0.385	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-53.5	144.6	167.9	-170.4	0	0	0	0	111.9	C30 A57 I58	S28-C30 PolarHBondContact O-N 3.43Å; S28-A57 WeakPolarHBondContact OG-CA 3.34Å; S28-I58 PolarHBondContact OG-N 3.35Å; S28-I58 VanDerWaalsContact OG-N 3.07Å
29	G	86.8	Confident	92.7	Very high	34 Å²	34	45.2 Å²	45.2	35%	0.351	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	67	21.9	-179.5	0	0	0	0	0	113.7	A31 G56	G29-A31 VanDerWaalsContact C-N 3.25Å; G29-A31 PolarHBondContact O-N 3.21Å; G29-G56 WeakPolarHBondContact CA-O 3.43Å; G29-G56 PolarHBondContact N-O 3.36Å
30	C	88.9	Confident	91.8	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.02	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	60.9	24.6	177	-67.1	0	0	0	0	115.5	L27 S28 L50 A55 L85 L126	L27-C30 PolarHBondContact O-N 2.64Å; S28-C30 PolarHBondContact O-N 3.43Å; C30-L50 HydrophobicContact CB-CD1 4.2Å; C30-L50 VanDerWaalsContact O-CD1 3.31Å; C30-L50 WeakPolarHBondContact O-CD1 3.23Å; C30-L50 WeakPolarHBondContact O-CG 3.49Å; C30-A55 HydrophobicContact CB-CB 3.83Å; C30-A55 VanDerWaalsContact SG-CB 3.53Å; C30-L85 HydrophobicContact CB-CD1 3.62Å; C30-L126 HydrophobicContact CB-CD1 3.76Å
31	A	93.6	Very high	91	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	25%	0.245	C	C	.	.			trans	-73	154.4	164.6	0	0	0	0	0	110.4	L27 G29 N49	L27-A31 HydrophobicContact CB-CB 4.21Å; L27-A31 HydrophobicContact CD1-CB 4.34Å; L27-A31 PolarHBondContact N-O 3.26Å; G29-A31 VanDerWaalsContact C-N 3.25Å; G29-A31 PolarHBondContact O-N 3.21Å; A31-N49 WeakPolarHBondContact CB-ND2 3.42Å
32	I	96.3	Very high	90.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.1	178.1	63.6	171.2	0	0	0	110.8	V23 M25 V26 V34 Q47 I48 L85 L89 V111	V23-I32 HydrophobicContact CG1-CB 4.41Å; V23-I32 HydrophobicContact CG2-CD1 4.3Å; M25-I32 WeakPolarHBondContact O-CA 3.4Å; V26-I32 HydrophobicContact CG2-CG2 4.29Å; I32-V34 HydrophobicContact CD1-CG1 3.87Å; I32-V34 HydrophobicContact CG1-CG1 4.35Å; I32-Q47 CarbonylContact O-C 3.49Å; I32-Q47 WeakPolarHBondContact O-CA 3.49Å; I32-I48 HydrophobicContact CG1-CB 4.12Å; I32-I48 PolarHBondContact N-O 3.21Å; I32-I48 PolarHBondContact O-N 2.97Å; I32-L85 HydrophobicContact CG2-CD1 4.48Å; I32-L89 HydrophobicContact CG2-CD1 4.14Å; I32-V111 HydrophobicContact CD1-CB 4.38Å; I32-V111 HydrophobicContact CD1-CG1 3.76Å; I32-V111 HydrophobicContact CD1-CG2 3.82Å
33	I	96.4	Very high	90.1	Very high	22 Å²	22	42.9 Å²	42.9	11%	0.113	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.7	164.9	-59.2	-174.5	0	0	0	107.8	K24 M25 L27 E45 R46 Q47	K24-I33 HydrophobicContact CB-CB 4.49Å; K24-I33 HydrophobicContact CB-CG2 4.26Å; K24-I33 HydrophobicContact CD-CG2 4.33Å; K24-I33 PolarHBondContact N-O 3.26Å; M25-I33 HydrophobicContact CE-CD1 4.1Å; M25-I33 HydrophobicContact CG-CB 3.88Å; M25-I33 HydrophobicContact CG-CD1 3.82Å; M25-I33 HydrophobicContact CG-CG1 3.93Å; M25-I33 PolarHBondContact N-O 3.39Å; M25-I33 PolarHBondContact O-N 2.84Å; M25-I33 HydrophobicContact SD-CD1 3.87Å; L27-I33 HydrophobicContact CD1-CD1 4.07Å; L27-I33 HydrophobicContact CD1-CG1 3.83Å; L27-I33 HydrophobicContact CD2-CD1 4.07Å; L27-I33 HydrophobicContact CD2-CG1 4.32Å; L27-I33 HydrophobicContact CG-CD1 4.37Å; L27-I33 HydrophobicContact CG-CG1 4.12Å; I33-E45 HydrophobicContact CG2-CB 3.93Å; I33-E45 HydrophobicContact CG2-CG 4.2Å; I33-R46 WeakPolarHBondContact CA-O 3.43Å; I33-Q47 HydrophobicContact CG1-CB 4.42Å; I33-Q47 HydrophobicContact CG1-CG 4.5Å
34	V	95.5	Very high	89.6	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	149.7	171.5	-63.4	0	0	0	0	110	I22 V23 I32 E45 R46 I48 V94 F96	I22-V34 CarbonylContact O-C 3.58Å; I22-V34 WeakPolarHBondContact O-CA 3.34Å; V23-V34 HydrophobicContact CG2-CG1 4.29Å; I32-V34 HydrophobicContact CD1-CG1 3.87Å; I32-V34 HydrophobicContact CG1-CG1 4.35Å; V34-E45 WeakPolarHBondContact O-CA 3.27Å; V34-R46 HydrophobicContact CG2-CB 4.04Å; V34-R46 WeakPolarHBondContact CG2-O 3.32Å; V34-R46 PolarHBondContact N-O 3.3Å; V34-R46 PolarHBondContact O-N 2.78Å; V34-I48 HydrophobicContact CG2-CG1 4.12Å; V34-V94 HydrophobicContact CG1-CG2 3.89Å; V34-F96 HydrophobicContact CB-CE1 4.44Å; V34-F96 HydrophobicContact CG2-CD1 4.5Å; V34-F96 HydrophobicContact CG2-CE1 3.73Å; V34-F96 HydrophobicContact CG2-CZ 3.84Å
35	R	94.3	Very high	89.4	Confident	29 Å²	29	51.7 Å²	51.7	11%	0.109	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.5	175.5	64.7	167.6	-175.6	76.5	-1.2	111.6	I22 K24 P43 P44 E45	I22-R35 HydrophobicContact CB-CG 4.28Å; I22-R35 PolarHBondContact N-O 3.45Å; I22-R35 WeakPolarHBondContact O-CG 3.32Å; I22-R35 PolarHBondContact O-N 3.14Å; K24-R35 HydrophobicContact CB-CG 4.33Å; R35-P43 HydrophobicContact CB-CG 4.09Å; R35-P43 HydrophobicContact CG-CG 4.34Å; R35-P44 WeakPolarHBondContact CA-O 2.79Å; R35-E45 HydrophobicContact CB-CG 4.23Å
36	G	90.8	Very high	89.3	Confident	29 Å²	29	53.4 Å²	53.4	30%	0.299	32%	0.315	S	S	.	.			trans	-74.4	-176.2	169.1	0	0	0	0	0	113.7	P43 P44	G36-P43 WeakPolarHBondContact O-CB 3.28Å; G36-P43 WeakPolarHBondContact O-CG 3.44Å; G36-P44 PolarHBondContact N-O 2.89Å
37	Q	87.1	Confident	89.2	Confident	131 Å²	131	57.3 Å²	57.3	61%	0.612	33%	0.333	S	S	*	.			trans	-77.2	139.2	165.1	-69.1	-70	10.1	0	0	110	R39	Q37-R39 PolarHBondContact O-N 3.27Å
38	P	85.4	Confident	89.3	Confident	61 Å²	61	55.3 Å²	55.3	40%	0.396	32%	0.323	S	S	.	.			trans	-63.2	133	177.4	26.2	-32.3	0	0	0	110.7	G41 F250	P38-G41 WeakPolarHBondContact CB-O 3.26Å; P38-F250 HydrophobicContact CB-CE1 4.12Å; P38-F250 HydrophobicContact CB-CZ 4.22Å; P38-F250 HydrophobicContact CG-CE1 4.23Å; P38-F250 HydrophobicContact CG-CZ 4.26Å
39	R	83.8	Confident	89.4	Confident	237 Å²	237	53.8 Å²	53.8	89%	0.894	31%	0.31	S	S	*	.	S	Bend	trans	-133.6	94.7	174.8	-67.1	-174.6	-178.4	-162.4	0.7	108.6	Q37 G41	Q37-R39 PolarHBondContact O-N 3.27Å; R39-G41 PolarHBondContact O-N 3.4Å
40	G	73.8	Confident	89.8	Confident	96 Å²	96	52.5 Å²	52.5	99%	0.99	30%	0.296	S	S	*	.	S	Bend	trans	73.4	1.2	-178.4	0	0	0	0	0	115.9
41	G	76.8	Confident	89.8	Confident	27 Å²	27	52.7 Å²	52.7	28%	0.278	30%	0.297	S	S	.	.	S	Bend	trans	176.5	-174	179.6	0	0	0	0	0	112.6	P38 R39	P38-G41 WeakPolarHBondContact CB-O 3.26Å; R39-G41 PolarHBondContact O-N 3.4Å
42	P	81.3	Confident	89.7	Confident	67 Å²	67	54.3 Å²	54.3	44%	0.435	31%	0.305	S	S	.	.	S	Bend	trans	-55.5	130.5	173.9	-23.9	34.3	0	0	0	111.1	A246 F250	P42-A246 HydrophobicContact CG-CB 4.4Å; P42-F250 HydrophobicContact CB-CB 4.46Å; P42-F250 HydrophobicContact CB-CD2 4.43Å; P42-F250 HydrophobicContact CB-CG 4.43Å; P42-F250 HydrophobicContact CG-CB 4.29Å
43	P	89	Confident	89.5	Confident	8 Å²	8	54.5 Å²	54.5	5%	0.052	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-73.3	155.2	-176.9	30.4	-34.1	0	0	0	111.7	R35 G36 F250	R35-P43 HydrophobicContact CB-CG 4.09Å; R35-P43 HydrophobicContact CG-CG 4.34Å; G36-P43 WeakPolarHBondContact O-CB 3.28Å; G36-P43 WeakPolarHBondContact O-CG 3.44Å; P43-F250 HydrophobicContact CG-CE2 3.84Å; P43-F250 HydrophobicContact CG-CZ 4.07Å
44	P	86.7	Confident	89.4	Confident	111 Å²	111	60.7 Å²	60.7	72%	0.721	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-62.5	149	173.6	27.3	-34.4	0	0	0	111.4	R35 G36	R35-P44 WeakPolarHBondContact CA-O 2.79Å; G36-P44 PolarHBondContact N-O 2.89Å
45	E	92.6	Very high	89.3	Confident	91 Å²	91	61 Å²	61	43%	0.425	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	147.6	-178.1	-71.3	174.7	-150.2	0	0	110.7	K24 I33 V34 R35	K24-E45 VanDerWaalsContact CD-CD 3.44Å; K24-E45 HydrophobicContact CD-CG 4.16Å; K24-E45 WeakPolarHBondContact CD-OE1 3.29Å; K24-E45 WeakPolarHBondContact CD-OE2 3.47Å; K24-E45 WeakPolarHBondContact CE-OE1 3.48Å; K24-E45 IonicContact NZ-OE1 3.95Å; K24-E45 PolarHBondContact NZ-OE1 3.1Å; K24-E45 IonicContact NZ-OE2 2.86Å; K24-E45 PolarHBondContact NZ-OE2 2.84Å; I33-E45 HydrophobicContact CG2-CB 3.93Å; I33-E45 HydrophobicContact CG2-CG 4.2Å; V34-E45 WeakPolarHBondContact O-CA 3.27Å; R35-E45 HydrophobicContact CB-CG 4.23Å
46	R	93.3	Very high	89.2	Confident	71 Å²	71	60.2 Å²	60.2	27%	0.268	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	128.6	179	-162.1	173.9	-174.4	-163.8	-4.1	109.5	I33 V34 I48 E107	I33-R46 WeakPolarHBondContact CA-O 3.43Å; V34-R46 HydrophobicContact CG2-CB 4.04Å; V34-R46 WeakPolarHBondContact CG2-O 3.32Å; V34-R46 PolarHBondContact N-O 3.3Å; V34-R46 PolarHBondContact O-N 2.78Å; R46-I48 HydrophobicContact CG-CD1 4.08Å; R46-E107 IonicContact CZ-OE1 2.83Å; R46-E107 IonicContact CZ-OE2 3.81Å; R46-E107 IonicContact NE-OE1 3.94Å; R46-E107 IonicContact NE-OE2 3.74Å; R46-E107 PolarHBondContact NE-OE2 2.83Å; R46-E107 IonicContact NH2-OE1 3.45Å; R46-E107 PolarHBondContact NH2-OE1 3.25Å; R46-E107 IonicContact NH2-OE2 3Å; R46-E107 PolarHBondContact NH2-OE2 3.05Å
47	Q	95.3	Very high	89.3	Confident	82 Å²	82	60.2 Å²	60.2	38%	0.383	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.3	175	-175.7	-177	-50.9	0	0	109.8	L27 I32 I33 N49	L27-Q47 HydrophobicContact CD1-CG 3.88Å; I32-Q47 CarbonylContact O-C 3.49Å; I32-Q47 WeakPolarHBondContact O-CA 3.49Å; I33-Q47 HydrophobicContact CG1-CB 4.42Å; I33-Q47 HydrophobicContact CG1-CG 4.5Å; Q47-N49 PolarHBondContact NE2-OD1 2.89Å
48	I	95.5	Very high	89.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.5	176	-51	-61.6	0	0	0	108.5	I32 V34 R46 F96 V98 V111	I32-I48 HydrophobicContact CG1-CB 4.12Å; I32-I48 PolarHBondContact N-O 3.21Å; I32-I48 PolarHBondContact O-N 2.97Å; V34-I48 HydrophobicContact CG2-CG1 4.12Å; R46-I48 HydrophobicContact CG-CD1 4.08Å; I48-F96 HydrophobicContact CD1-CD2 3.74Å; I48-F96 HydrophobicContact CD1-CE2 3.56Å; I48-F96 HydrophobicContact CD1-CZ 4.34Å; I48-F96 HydrophobicContact CG1-CD2 3.94Å; I48-F96 HydrophobicContact CG1-CE2 4Å; I48-F96 HydrophobicContact CG1-CG 4.38Å; I48-F96 HydrophobicContact CG1-CZ 4.49Å; I48-V98 HydrophobicContact CD1-CG2 4.08Å; I48-V111 HydrophobicContact CG2-CG2 3.94Å
49	N	94.9	Very high	90	Very high	23 Å²	23	53.6 Å²	53.6	12%	0.123	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	138.3	171.4	-70.7	81.8	0	0	0	109.4	A31 Q47 S51 E107 Y108 G109	A31-N49 WeakPolarHBondContact CB-ND2 3.42Å; Q47-N49 PolarHBondContact NE2-OD1 2.89Å; N49-S51 PolarHBondContact O-N 2.66Å; N49-E107 WeakPolarHBondContact CB-O 3.47Å; N49-E107 PolarHBondContact N-O 2.72Å; N49-Y108 HydrophobicContact CB-CD1 3.46Å; N49-Y108 VanDerWaalsContact CB-CD1 3.46Å; N49-Y108 HydrophobicContact CB-CD2 4.44Å; N49-Y108 HydrophobicContact CB-CE1 3.51Å; N49-Y108 HydrophobicContact CB-CE2 4.49Å; N49-Y108 HydrophobicContact CB-CG 3.96Å; N49-Y108 CarbonylContact O-C 3.52Å; N49-Y108 VanDerWaalsContact O-CA 3.26Å; N49-Y108 WeakPolarHBondContact O-CA 3.41Å; N49-G109 PolarHBondContact O-N 3.05Å
50	L	93.9	Very high	90.4	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123	179.6	-61.8	176.5	0	0	0	110.4	C30 I53 L85 V111 I122 L126	C30-L50 HydrophobicContact CB-CD1 4.2Å; C30-L50 VanDerWaalsContact O-CD1 3.31Å; C30-L50 WeakPolarHBondContact O-CD1 3.23Å; C30-L50 WeakPolarHBondContact O-CG 3.49Å; L50-I53 HydrophobicContact CB-CD1 3.81Å; L50-I53 HydrophobicContact CB-CG1 3.83Å; L50-I53 HydrophobicContact CD1-CD1 3.79Å; L50-I53 HydrophobicContact CG-CD1 4.46Å; L50-L85 HydrophobicContact CD1-CD1 4.34Å; L50-V111 HydrophobicContact CD2-CB 3.96Å; L50-V111 HydrophobicContact CD2-CG2 3.64Å; L50-I122 HydrophobicContact CD1-CG2 3.95Å; L50-I122 HydrophobicContact CD2-CG2 4.28Å; L50-L126 HydrophobicContact CD1-CD1 3.64Å
51	S	90.8	Very high	91.1	Very high	6 Å²	6	50.2 Å²	50.2	4%	0.042	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	155.6	175.9	-73.8	0	0	0	0	112.1	N49 I53 E99 G109	N49-S51 PolarHBondContact O-N 2.66Å; S51-I53 PolarHBondContact O-N 3.28Å; S51-E99 WeakPolarHBondContact CB-OE2 3.47Å; S51-E99 PolarHBondContact OG-OE2 2.87Å; S51-G109 PolarHBondContact N-O 2.76Å; S51-G109 WeakPolarHBondContact OG-CA 3.39Å; S51-G109 PolarHBondContact OG-N 3.35Å
52	N	90.2	Very high	91.5	Very high	36 Å²	36	50.2 Å²	50.2	19%	0.193	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	-3.2	169.5	-54	-34.4	0	0	0	117.2	V134 R135 L149	N52-V134 CarbonylContact O-C 3.47Å; N52-R135 PolarHBondContact O-N 3.44Å; N52-L149 HydrophobicContact CB-CD1 3.61Å
53	I	93.2	Very high	91.4	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	162.4	-179	71.2	170	0	0	0	112.7	L50 S51 A123 L126 V127 A132 T133 R135 L149	L50-I53 HydrophobicContact CB-CD1 3.81Å; L50-I53 HydrophobicContact CB-CG1 3.83Å; L50-I53 HydrophobicContact CD1-CD1 3.79Å; L50-I53 HydrophobicContact CG-CD1 4.46Å; S51-I53 PolarHBondContact O-N 3.28Å; I53-A123 HydrophobicContact CD1-CB 3.91Å; I53-A123 HydrophobicContact CG1-CB 4.41Å; I53-A123 HydrophobicContact CG2-CB 4.08Å; I53-L126 HydrophobicContact CD1-CB 4.4Å; I53-L126 HydrophobicContact CD1-CD1 3.85Å; I53-V127 HydrophobicContact CB-CG2 4.45Å; I53-V127 HydrophobicContact CG2-CG2 3.65Å; I53-A132 HydrophobicContact CB-CB 4.23Å; I53-A132 HydrophobicContact CD1-CB 3.94Å; I53-A132 HydrophobicContact CG1-CB 4.49Å; I53-T133 CarbonylContact C-O 3.48Å; I53-T133 VanDerWaalsContact CA-O 3.27Å; I53-T133 WeakPolarHBondContact CA-O 3.4Å; I53-R135 PolarHBondContact O-NE 3.13Å; I53-R135 PolarHBondContact O-NH2 2.88Å; I53-L149 HydrophobicContact CG2-CD1 4.14Å; I53-L149 HydrophobicContact CG2-CD2 4.3Å
54	R	93.5	Very high	90.5	Very high	152 Å²	152	58.4 Å²	58.4	57%	0.574	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	122.9	171	179.8	-179.1	176.2	-179.2	-2.8	108.4	A132 T133 R135	R54-A132 CarbonylContact O-C 3.49Å; R54-A132 WeakPolarHBondContact O-CA 3.12Å; R54-T133 PolarHBondContact N-O 2.97Å; R54-T133 PolarHBondContact O-N 2.83Å; R54-T133 PolarHBondContact O-OG1 3.31Å; R54-R135 HydrophobicContact CB-CG 4.28Å
55	A	93.6	Very high	89.5	Confident	12 Å²	12	56.8 Å²	56.8	10%	0.099	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	162.8	170.8	0	0	0	0	0	110.3	C30 A132	C30-A55 HydrophobicContact CB-CB 3.83Å; C30-A55 VanDerWaalsContact SG-CB 3.53Å; A55-A132 HydrophobicContact CB-CB 4.18Å
56	G	92.1	Very high	88.6	Confident	11 Å²	11	58.3 Å²	58.3	11%	0.113	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-64.2	150.7	179.3	0	0	0	0	0	113.4	G29 E75 A78	G29-G56 WeakPolarHBondContact CA-O 3.43Å; G29-G56 PolarHBondContact N-O 3.36Å; G56-E75 WeakPolarHBondContact CA-OE2 3.42Å; G56-A78 VanDerWaalsContact C-CB 3.46Å
57	A	93.5	Very high	87.2	Confident	29 Å²	29	60.9 Å²	60.9	24%	0.24	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-80.4	133.6	172.6	0	0	0	0	0	111.3	S28 E75 A78	S28-A57 WeakPolarHBondContact OG-CA 3.34Å; A57-E75 HydrophobicContact CB-CG 4.27Å; A57-E75 PolarHBondContact N-OE2 3.08Å; A57-E75 PolarHBondContact O-N 3.28Å; A57-A78 WeakPolarHBondContact O-CB 3.45Å
58	I	94.2	Very high	86.2	Confident	37 Å²	37	64.4 Å²	64.4	19%	0.19	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-78.3	159.1	172	63.1	173.2	0	0	0	110.4	S28 D74 A78 R82	S28-I58 PolarHBondContact OG-N 3.35Å; S28-I58 VanDerWaalsContact OG-N 3.07Å; I58-D74 VanDerWaalsContact CA-OD1 3.28Å; I58-D74 WeakPolarHBondContact CA-OD1 3.29Å; I58-D74 WeakPolarHBondContact CB-OD1 3.36Å; I58-A78 HydrophobicContact CG2-CB 4.17Å; I58-R82 HydrophobicContact CG2-CB 4.31Å
59	A	92.9	Very high	85.5	Confident	16 Å²	16	67.3 Å²	67.3	13%	0.132	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-53.8	143.5	178.9	0	0	0	0	0	112.3	I72 D74 L176	A59-I72 CarbonylContact C-O 3.57Å; A59-I72 WeakPolarHBondContact CA-O 3.34Å; A59-I72 WeakPolarHBondContact CB-O 3.25Å; A59-D74 WeakPolarHBondContact CB-OD1 3.45Å; A59-D74 PolarHBondContact N-OD1 3.5Å; A59-L176 HydrophobicContact CB-CD1 3.47Å; A59-L176 VanDerWaalsContact CB-CD1 3.47Å
60	R	90.5	Very high	85	Confident	156 Å²	156	75.2 Å²	75.2	59%	0.589	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-133.1	126.2	-177.1	-163.5	-168.1	-40.6	153.2	14.5	110.1	I72	R60-I72 HydrophobicContact CB-CB 4.37Å; R60-I72 PolarHBondContact N-O 3.37Å; R60-I72 PolarHBondContact O-N 3.21Å
61	R	88.9	Confident	84.7	Confident	106 Å²	106	78.6 Å²	78.6	40%	0.4	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-69.3	140	173.9	-162.3	-179.7	-173.8	173	6.7	110.7	D71 Y178	R61-D71 VanDerWaalsContact CA-OD1 3.3Å; R61-D71 WeakPolarHBondContact CA-OD1 3.4Å; R61-D71 WeakPolarHBondContact CG-OD1 3.36Å; R61-Y178 HydrophobicContact CB-CE1 4.13Å; R61-Y178 HydrophobicContact CB-CE2 4.34Å; R61-Y178 HydrophobicContact CG-CD1 4.4Å; R61-Y178 HydrophobicContact CG-CD2 4.22Å; R61-Y178 HydrophobicContact CG-CE1 4.38Å; R61-Y178 HydrophobicContact CG-CE2 4.2Å; R61-Y178 HydrophobicContact CG-CG 4.32Å
62	A	85.6	Confident	84.7	Confident	27 Å²	27	82.2 Å²	82.2	22%	0.223	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-60.1	149.6	171.6	0	0	0	0	0	111.6	T69 D71	A62-T69 WeakPolarHBondContact CB-O 3.47Å; A62-D71 PolarHBondContact N-OD1 3.3Å
63	A	80.2	Confident	84.9	Confident	67 Å²	67	84.5 Å²	84.5	55%	0.554	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-71.7	134.5	-179.7	0	0	0	0	0	110.9	G65 Q66	A63-G65 PolarHBondContact O-N 3.01Å; A63-Q66 PolarHBondContact O-N 3.33Å
64	Q	68.4	Low	84.9	Confident	180 Å²	180	84.5 Å²	84.5	84%	0.841	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	121.5	174.4	-73.7	-178.4	-19.4	0	0	109.7
65	G	66	Low	85	Confident	77 Å²	77	81.1 Å²	81.1	79%	0.794	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.4	-5.4	-178.8	0	0	0	0	0	115.3	A63	A63-G65 PolarHBondContact O-N 3.01Å
66	Q	73.9	Confident	85.1	Confident	123 Å²	123	83.3 Å²	83.3	58%	0.575	46%	0.46	S	S	*	.			trans	-122.5	87.7	173.7	-69.1	-175.8	-13.4	0	0	110.3	A63 D68 T69	A63-Q66 PolarHBondContact O-N 3.33Å; Q66-D68 PolarHBondContact O-N 3.49Å; Q66-D68 VanDerWaalsContact O-N 3.12Å; Q66-T69 HydrophobicContact CB-CG2 4.08Å; Q66-T69 PolarHBondContact O-N 2.94Å; Q66-T69 VanDerWaalsContact O-N 3.14Å; Q66-T69 PolarHBondContact O-OG1 3.5Å
67	P	64.1	Low	85.2	Confident	125 Å²	125	84.6 Å²	84.6	81%	0.812	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-21.3	-168.9	23.2	-32.3	0	0	0	114.7
68	D	75.2	Confident	85.3	Confident	157 Å²	157	83.2 Å²	83.2	84%	0.84	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-7.7	-179.4	-58.6	-44.5	0	0	0	114	Q66	Q66-D68 PolarHBondContact O-N 3.49Å; Q66-D68 VanDerWaalsContact O-N 3.12Å
69	T	80.5	Confident	85.4	Confident	61 Å²	61	82.2 Å²	82.2	37%	0.374	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-84.4	122	178.3	55	0	0	0	0	110.9	A62 Q66	A62-T69 WeakPolarHBondContact CB-O 3.47Å; Q66-T69 HydrophobicContact CB-CG2 4.08Å; Q66-T69 PolarHBondContact O-N 2.94Å; Q66-T69 VanDerWaalsContact O-N 3.14Å; Q66-T69 PolarHBondContact O-OG1 3.5Å
70	K	83.4	Confident	85.5	Confident	189 Å²	189	83.8 Å²	83.8	82%	0.822	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-87.6	152.5	177.4	-66.7	-174	179.3	-178.4	0	111.7
71	D	87.1	Confident	85.8	Confident	78 Å²	78	76.4 Å²	76.4	42%	0.417	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-60.2	138.6	170.6	-66	-30.6	0	0	0	110.3	R61 A62 Y178	R61-D71 VanDerWaalsContact CA-OD1 3.3Å; R61-D71 WeakPolarHBondContact CA-OD1 3.4Å; R61-D71 WeakPolarHBondContact CG-OD1 3.36Å; A62-D71 PolarHBondContact N-OD1 3.3Å; D71-Y178 HydrophobicContact CB-CE2 4.29Å; D71-Y178 WeakPolarHBondContact OD2-CD2 3.31Å; D71-Y178 WeakPolarHBondContact OD2-CE2 3.34Å
72	I	91.9	Very high	86.2	Confident	83 Å²	83	71.7 Å²	71.7	43%	0.426	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-94.4	123.2	178.6	-58	171.8	0	0	0	107.6	A59 R60	A59-I72 CarbonylContact C-O 3.57Å; A59-I72 WeakPolarHBondContact CA-O 3.34Å; A59-I72 WeakPolarHBondContact CB-O 3.25Å; R60-I72 HydrophobicContact CB-CB 4.37Å; R60-I72 PolarHBondContact N-O 3.37Å; R60-I72 PolarHBondContact O-N 3.21Å
73	P	93.3	Very high	86.7	Confident	84 Å²	84	71.3 Å²	71.3	55%	0.545	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-72.7	171.8	178.8	31.2	-35.5	0	0	0	112.2	I173	P73-I173 HydrophobicContact CB-CG2 4.15Å
74	D	94.3	Very high	87.5	Confident	4 Å²	4	71 Å²	71	2%	0.021	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-63.6	141.8	171.3	-66.7	-55	0	0	0	110.1	I58 A59 I173 R174	I58-D74 VanDerWaalsContact CA-OD1 3.28Å; I58-D74 WeakPolarHBondContact CA-OD1 3.29Å; I58-D74 WeakPolarHBondContact CB-OD1 3.36Å; A59-D74 WeakPolarHBondContact CB-OD1 3.45Å; A59-D74 PolarHBondContact N-OD1 3.5Å; D74-I173 HydrophobicContact CB-CG2 4.19Å; D74-R174 IonicContact OD1-CZ 3.08Å; D74-R174 IonicContact OD1-NE 3.77Å; D74-R174 IonicContact OD1-NH2 3.65Å; D74-R174 PolarHBondContact OD1-NH2 3.25Å; D74-R174 WeakPolarHBondContact OD2-CB 3.45Å; D74-R174 IonicContact OD2-CZ 3.79Å; D74-R174 PolarHBondContact OD2-N 2.71Å; D74-R174 IonicContact OD2-NE 3.94Å; D74-R174 PolarHBondContact OD2-NE 3.07Å; D74-R174 IonicContact OD2-NH2 3.76Å; D74-R174 PolarHBondContact OD2-NH2 3.04Å
75	E	95.4	Very high	88.8	Confident	82 Å²	82	62.5 Å²	62.5	38%	0.383	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-69.4	149.3	159.5	-68.9	179.1	174.7	0	0	109.4	G56 A57 W77 A78	G56-E75 WeakPolarHBondContact CA-OE2 3.42Å; A57-E75 HydrophobicContact CB-CG 4.27Å; A57-E75 PolarHBondContact N-OE2 3.08Å; A57-E75 PolarHBondContact O-N 3.28Å; E75-W77 PolarHBondContact O-N 2.91Å; E75-A78 HydrophobicContact CB-CB 4.25Å; E75-A78 WeakPolarHBondContact O-CB 3.42Å; E75-A78 PolarHBondContact O-N 3.12Å
76	P	94.8	Very high	90.3	Very high	57 Å²	57	59 Å²	59	37%	0.37	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	135.2	176.4	-27.5	34.3	0	0	0	112.1	A78 I173	P76-A78 PolarHBondContact O-N 2.75Å; P76-A78 VanDerWaalsContact O-N 3.09Å; P76-I173 HydrophobicContact CG-CD1 4.29Å
77	W	95.4	Very high	91.3	Very high	38 Å²	38	60.3 Å²	60.3	14%	0.144	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	0.9	-178.7	-56.8	94.5	0	0	0	116.2	E75 Q80 A81 L131 G162 M163 S165 T172	E75-W77 PolarHBondContact O-N 2.91Å; W77-Q80 HydrophobicContact CE3-CB 4.09Å; W77-Q80 HydrophobicContact CE3-CG 4.06Å; W77-Q80 HydrophobicContact CZ3-CG 4.34Å; W77-Q80 PolarHBondContact O-N 3.4Å; W77-A81 WeakPolarHBondContact O-CB 3.31Å; W77-A81 PolarHBondContact O-N 3.25Å; W77-L131 HydrophobicContact CB-CD2 4.39Å; W77-L131 HydrophobicContact CE3-CD2 4.08Å; W77-G162 WeakPolarHBondContact CZ2-O 3.36Å; W77-G162 PolarHBondContact NE1-O 3.23Å; W77-M163 VanDerWaalsContact CD1-CA 3.42Å; W77-M163 HydrophobicContact CG-CB 4.18Å; W77-S165 VanDerWaalsContact CZ2-OG 3.3Å; W77-S165 WeakPolarHBondContact CZ2-OG 3.2Å; W77-T172 HydrophobicContact CD2-CG2 3.81Å; W77-T172 HydrophobicContact CE3-CG2 3.9Å; W77-T172 HydrophobicContact CG-CG2 4.45Å; W77-T172 HydrophobicContact CH2-CG2 3.93Å; W77-T172 HydrophobicContact CZ2-CG2 3.82Å; W77-T172 HydrophobicContact CZ3-CG2 3.97Å; W77-T172 PolarHBondContact N-OG1 3.3Å
78	A	95.8	Very high	92.9	Very high	1 Å²	1	57 Å²	57	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-45.2	-179.1	0	0	0	0	0	112.6	G56 A57 I58 E75 P76 A81 R82	G56-A78 VanDerWaalsContact C-CB 3.46Å; A57-A78 WeakPolarHBondContact O-CB 3.45Å; I58-A78 HydrophobicContact CG2-CB 4.17Å; E75-A78 HydrophobicContact CB-CB 4.25Å; E75-A78 WeakPolarHBondContact O-CB 3.42Å; E75-A78 PolarHBondContact O-N 3.12Å; P76-A78 PolarHBondContact O-N 2.75Å; P76-A78 VanDerWaalsContact O-N 3.09Å; A78-A81 PolarHBondContact O-N 3.45Å; A78-R82 WeakPolarHBondContact O-CB 3.41Å; A78-R82 PolarHBondContact O-N 3.38Å
79	F	95.4	Very high	93.9	Very high	15 Å²	15	49.5 Å²	49.5	7%	0.066	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-39.4	178.7	178.1	-114.3	0	0	0	111.7	R82 E83 R174 I198 L211 Y216	F79-R82 WeakPolarHBondContact O-CB 3.28Å; F79-R82 PolarHBondContact O-N 3Å; F79-E83 HydrophobicContact CD1-CG 4.12Å; F79-E83 HydrophobicContact CD2-CG 4.04Å; F79-E83 HydrophobicContact CE1-CG 3.67Å; F79-E83 HydrophobicContact CE2-CG 3.58Å; F79-E83 HydrophobicContact CG-CG 4.31Å; F79-E83 HydrophobicContact CZ-CG 3.38Å; F79-E83 WeakPolarHBondContact O-CB 3.26Å; F79-E83 WeakPolarHBondContact O-CG 3.41Å; F79-E83 PolarHBondContact O-N 2.82Å; F79-R174 HydrophobicContact CD1-CG 4.14Å; F79-R174 HydrophobicContact CG-CG 4.3Å; F79-I198 HydrophobicContact CZ-CD1 4.46Å; F79-L211 HydrophobicContact CE2-CD2 4.2Å; F79-L211 HydrophobicContact CZ-CD2 4.28Å; F79-Y216 HydrophobicContact CE1-CE1 4.07Å; F79-Y216 HydrophobicContact CZ-CE1 4.26Å
80	Q	95.8	Very high	94.6	Very high	50 Å²	50	47.7 Å²	47.7	23%	0.234	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-41.3	179.2	-68.8	69	18.7	0	0	110.6	W77 R82 E83 F84 L131 T172	W77-Q80 HydrophobicContact CE3-CB 4.09Å; W77-Q80 HydrophobicContact CE3-CG 4.06Å; W77-Q80 HydrophobicContact CZ3-CG 4.34Å; W77-Q80 PolarHBondContact O-N 3.4Å; Q80-R82 VanDerWaalsContact C-N 3.33Å; Q80-R82 PolarHBondContact O-N 3.08Å; Q80-E83 PolarHBondContact O-N 3.31Å; Q80-F84 VanDerWaalsContact O-CB 3.28Å; Q80-F84 WeakPolarHBondContact O-CB 3.27Å; Q80-F84 PolarHBondContact O-N 3.16Å; Q80-L131 HydrophobicContact CB-CD2 4.01Å; Q80-T172 VanDerWaalsContact NE2-CB 3.34Å; Q80-T172 PolarHBondContact NE2-O 3Å
81	A	96.5	Very high	95.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.9	-45.8	172.4	0	0	0	0	0	111.5	W77 A78 F84 L85 L126 L131	W77-A81 WeakPolarHBondContact O-CB 3.31Å; W77-A81 PolarHBondContact O-N 3.25Å; A78-A81 PolarHBondContact O-N 3.45Å; A81-F84 PolarHBondContact O-N 3.01Å; A81-L85 PolarHBondContact O-N 2.86Å; A81-L85 VanDerWaalsContact O-N 3.17Å; A81-L126 HydrophobicContact CB-CD2 4.29Å; A81-L131 HydrophobicContact CB-CB 3.84Å; A81-L131 HydrophobicContact CB-CD2 4.47Å
82	R	96.9	Very high	95.4	Very high	8 Å²	8	42.2 Å²	42.2	3%	0.03	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-46.4	176.3	-171.3	-83.7	-166.2	152.3	18.7	111.9	V26 I58 A78 F79 Q80 L85 R86 E200	V26-R82 HydrophobicContact CG1-CG 4.1Å; I58-R82 HydrophobicContact CG2-CB 4.31Å; A78-R82 WeakPolarHBondContact O-CB 3.41Å; A78-R82 PolarHBondContact O-N 3.38Å; F79-R82 WeakPolarHBondContact O-CB 3.28Å; F79-R82 PolarHBondContact O-N 3Å; Q80-R82 VanDerWaalsContact C-N 3.33Å; Q80-R82 PolarHBondContact O-N 3.08Å; R82-L85 PolarHBondContact O-N 2.89Å; R82-R86 VanDerWaalsContact O-CB 3.26Å; R82-R86 WeakPolarHBondContact O-CB 3.43Å; R82-R86 PolarHBondContact O-N 2.92Å; R82-E200 IonicContact CZ-OE1 2.9Å; R82-E200 IonicContact CZ-OE2 3.49Å; R82-E200 IonicContact NH1-OE1 2.61Å; R82-E200 PolarHBondContact NH1-OE1 3.34Å; R82-E200 IonicContact NH1-OE2 3.7Å; R82-E200 VanDerWaalsContact NH2-CD 3.29Å; R82-E200 IonicContact NH2-OE1 3.58Å; R82-E200 PolarHBondContact NH2-OE1 3.18Å; R82-E200 IonicContact NH2-OE2 2.68Å; R82-E200 PolarHBondContact NH2-OE2 2.84Å
83	E	96.1	Very high	95.6	Very high	19 Å²	19	42.2 Å²	42.2	9%	0.089	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-35.8	179.7	-75.1	-59.2	104.6	0	0	112.8	F79 Q80 R86 K87 I198	F79-E83 HydrophobicContact CD1-CG 4.12Å; F79-E83 HydrophobicContact CD2-CG 4.04Å; F79-E83 HydrophobicContact CE1-CG 3.67Å; F79-E83 HydrophobicContact CE2-CG 3.58Å; F79-E83 HydrophobicContact CG-CG 4.31Å; F79-E83 HydrophobicContact CZ-CG 3.38Å; F79-E83 WeakPolarHBondContact O-CB 3.26Å; F79-E83 WeakPolarHBondContact O-CG 3.41Å; F79-E83 PolarHBondContact O-N 2.82Å; Q80-E83 PolarHBondContact O-N 3.31Å; E83-R86 PolarHBondContact O-N 2.87Å; E83-R86 VanDerWaalsContact OE1-CD 3.28Å; E83-R86 WeakPolarHBondContact OE1-CD 3.43Å; E83-R86 IonicContact OE1-CZ 3.99Å; E83-R86 IonicContact OE1-NE 3.64Å; E83-R86 PolarHBondContact OE1-NE 2.6Å; E83-R86 IonicContact OE2-CZ 2.74Å; E83-R86 VanDerWaalsContact OE2-CZ 3.25Å; E83-R86 IonicContact OE2-NE 3.67Å; E83-R86 PolarHBondContact OE2-NE 2.89Å; E83-R86 IonicContact OE2-NH2 2.88Å; E83-R86 PolarHBondContact OE2-NH2 2.6Å; E83-K87 WeakPolarHBondContact O-CB 3.38Å; E83-K87 WeakPolarHBondContact O-CG 3.33Å; E83-K87 PolarHBondContact O-N 2.87Å; E83-I198 WeakPolarHBondContact OE2-CD1 3.32Å
84	F	96.8	Very high	95.7	Very high	60 Å²	60	38.2 Å²	38.2	26%	0.263	19%	0.186	S	C	.	.	H	α-helix	trans	-58.8	-52	173.2	178.7	-96.7	0	0	0	110.7	Q80 A81 K88 L126 E129 L131	Q80-F84 VanDerWaalsContact O-CB 3.28Å; Q80-F84 WeakPolarHBondContact O-CB 3.27Å; Q80-F84 PolarHBondContact O-N 3.16Å; A81-F84 PolarHBondContact O-N 3.01Å; F84-K88 HydrophobicContact CE1-CD 4.31Å; F84-K88 HydrophobicContact CZ-CD 4.29Å; F84-K88 WeakPolarHBondContact O-CB 3.37Å; F84-K88 PolarHBondContact O-N 2.88Å; F84-L126 HydrophobicContact CD1-CD2 3.85Å; F84-L126 HydrophobicContact CE1-CD2 4.45Å; F84-E129 HydrophobicContact CE2-CG 4.01Å; F84-E129 HydrophobicContact CZ-CG 4.07Å; F84-L131 HydrophobicContact CB-CD1 3.66Å; F84-L131 HydrophobicContact CD1-CD1 4.2Å; F84-L131 HydrophobicContact CD2-CD1 4.17Å; F84-L131 HydrophobicContact CG-CD1 3.76Å
85	L	96.8	Very high	95.7	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-42.5	175.2	-70.8	-163.8	0	0	0	112.3	V26 C30 I32 L50 A81 R82 K87 K88 L89 I122 L126	V26-L85 HydrophobicContact CG1-CB 3.87Å; V26-L85 HydrophobicContact CG1-CD1 3.94Å; V26-L85 HydrophobicContact CG2-CB 3.91Å; C30-L85 HydrophobicContact CB-CD1 3.62Å; I32-L85 HydrophobicContact CG2-CD1 4.48Å; L50-L85 HydrophobicContact CD1-CD1 4.34Å; A81-L85 PolarHBondContact O-N 2.86Å; A81-L85 VanDerWaalsContact O-N 3.17Å; R82-L85 PolarHBondContact O-N 2.89Å; L85-K87 PolarHBondContact O-N 3.41Å; L85-K88 PolarHBondContact O-N 3.38Å; L85-K88 VanDerWaalsContact O-N 3.15Å; L85-L89 HydrophobicContact CB-CD1 4.35Å; L85-L89 HydrophobicContact CD2-CD1 4.11Å; L85-L89 VanDerWaalsContact O-CB 3.24Å; L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 WeakPolarHBondContact O-CG 3.35Å; L85-L89 PolarHBondContact O-N 3Å; L85-I122 HydrophobicContact CD1-CG2 4.43Å; L85-I122 HydrophobicContact CD2-CG2 3.4Å; L85-I122 VanDerWaalsContact CD2-CG2 3.4Å; L85-L126 HydrophobicContact CD1-CD1 4Å; L85-L126 HydrophobicContact CD2-CD1 3.95Å; L85-L126 HydrophobicContact CD2-CD2 4.04Å; L85-L126 HydrophobicContact CD2-CG 3.9Å; L85-L126 HydrophobicContact CG-CD1 4.11Å; L85-L126 HydrophobicContact CG-CD2 4.09Å; L85-L126 HydrophobicContact CG-CG 4.33Å
86	R	96.8	Very high	95.7	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.019	17%	0.168	C	C	.	.	H	α-helix	trans	-57	-52.6	-178	-171.6	-169.5	66.6	73	-1.3	110.8	R82 E83 K88 I90 Q258 D260	R82-R86 VanDerWaalsContact O-CB 3.26Å; R82-R86 WeakPolarHBondContact O-CB 3.43Å; R82-R86 PolarHBondContact O-N 2.92Å; E83-R86 PolarHBondContact O-N 2.87Å; E83-R86 VanDerWaalsContact OE1-CD 3.28Å; E83-R86 WeakPolarHBondContact OE1-CD 3.43Å; E83-R86 IonicContact OE1-CZ 3.99Å; E83-R86 IonicContact OE1-NE 3.64Å; E83-R86 PolarHBondContact OE1-NE 2.6Å; E83-R86 IonicContact OE2-CZ 2.74Å; E83-R86 VanDerWaalsContact OE2-CZ 3.25Å; E83-R86 IonicContact OE2-NE 3.67Å; E83-R86 PolarHBondContact OE2-NE 2.89Å; E83-R86 IonicContact OE2-NH2 2.88Å; E83-R86 PolarHBondContact OE2-NH2 2.6Å; R86-K88 PolarHBondContact O-N 3.4Å; R86-I90 HydrophobicContact CB-CG1 4.28Å; R86-I90 HydrophobicContact CG-CG1 3.64Å; R86-I90 WeakPolarHBondContact O-CB 3.43Å; R86-I90 WeakPolarHBondContact O-CG1 3.22Å; R86-I90 PolarHBondContact O-N 2.89Å; R86-I90 VanDerWaalsContact O-N 3.15Å; R86-Q258 WeakPolarHBondContact CD-O 3.48Å; R86-Q258 HydrophobicContact CG-CB 3.9Å; R86-Q258 VanDerWaalsContact CG-O 3.26Å; R86-Q258 WeakPolarHBondContact CG-O 3.33Å; R86-Q258 PolarHBondContact NH1-O 2.85Å; R86-D260 IonicContact CZ-OD1 3.33Å; R86-D260 IonicContact CZ-OD2 2.85Å; R86-D260 VanDerWaalsContact CZ-OD2 3.28Å; R86-D260 IonicContact NH1-OD1 2.56Å; R86-D260 IonicContact NH1-OD2 2.6Å; R86-D260 PolarHBondContact NH1-OD2 2.9Å; R86-D260 IonicContact NH2-OD1 2.85Å; R86-D260 PolarHBondContact NH2-OD1 3.21Å; R86-D260 IonicContact NH2-OD2 3Å; R86-D260 PolarHBondContact NH2-OD2 2.94Å
87	K	96.3	Very high	95.6	Very high	150 Å²	150	32.7 Å²	32.7	65%	0.652	16%	0.157	S	C	*	.	H	α-helix	trans	-62.3	-29.8	179.7	-72.2	179.5	178.6	-178.7	0	112.7	E83 L85	E83-K87 WeakPolarHBondContact O-CB 3.38Å; E83-K87 WeakPolarHBondContact O-CG 3.33Å; E83-K87 PolarHBondContact O-N 2.87Å; L85-K87 PolarHBondContact O-N 3.41Å
88	K	95.9	Very high	95.4	Very high	54 Å²	54	32 Å²	32	24%	0.235	16%	0.156	C	C	.	.	H	α-helix	trans	-87.6	-39	-175.6	-156.6	167.5	-149.9	-64.3	0	113.7	F84 L85 R86 K92 L113 E120	F84-K88 HydrophobicContact CE1-CD 4.31Å; F84-K88 HydrophobicContact CZ-CD 4.29Å; F84-K88 WeakPolarHBondContact O-CB 3.37Å; F84-K88 PolarHBondContact O-N 2.88Å; L85-K88 PolarHBondContact O-N 3.38Å; L85-K88 VanDerWaalsContact O-N 3.15Å; R86-K88 PolarHBondContact O-N 3.4Å; K88-K92 WeakPolarHBondContact O-CG 3.27Å; K88-L113 HydrophobicContact CG-CD2 4.22Å; K88-E120 WeakPolarHBondContact CE-OE1 3.48Å; K88-E120 WeakPolarHBondContact CE-OE2 3.48Å; K88-E120 IonicContact NZ-OE1 3.78Å; K88-E120 PolarHBondContact NZ-OE1 2.89Å; K88-E120 IonicContact NZ-OE2 2.72Å; K88-E120 PolarHBondContact NZ-OE2 2.85Å
89	L	96.3	Very high	94.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-107.7	-29.1	-164.9	-65.7	-174.6	0	0	0	114.5	V23 I32 L85 G91 K92 V94 L113 I122	V23-L89 HydrophobicContact CB-CB 4.32Å; V23-L89 WeakPolarHBondContact CB-O 3.48Å; V23-L89 HydrophobicContact CG1-CB 4.07Å; V23-L89 HydrophobicContact CG2-CB 4.15Å; I32-L89 HydrophobicContact CG2-CD1 4.14Å; L85-L89 HydrophobicContact CB-CD1 4.35Å; L85-L89 HydrophobicContact CD2-CD1 4.11Å; L85-L89 VanDerWaalsContact O-CB 3.24Å; L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 WeakPolarHBondContact O-CG 3.35Å; L85-L89 PolarHBondContact O-N 3Å; L89-G91 PolarHBondContact O-N 3.44Å; L89-G91 VanDerWaalsContact O-N 3.15Å; L89-K92 VanDerWaalsContact O-CB 3.28Å; L89-K92 WeakPolarHBondContact O-CB 3.47Å; L89-K92 PolarHBondContact O-N 2.95Å; L89-V94 HydrophobicContact CD2-CG1 4.05Å; L89-L113 HydrophobicContact CD2-CD1 3.98Å; L89-I122 HydrophobicContact CD1-CD1 4.37Å; L89-I122 HydrophobicContact CD1-CG1 4.24Å; L89-I122 HydrophobicContact CD1-CG2 4.04Å; L89-I122 HydrophobicContact CD2-CD1 3.63Å; L89-I122 HydrophobicContact CD2-CG1 4.07Å; L89-I122 HydrophobicContact CG-CD1 4.35Å
90	I	96.2	Very high	94.5	Very high	23 Å²	23	39.2 Å²	39.2	12%	0.118	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	122.8	-168.5	-73.3	-67.9	0	0	0	111.8	V23 V26 R86 K92 Q258 R259	V23-I90 HydrophobicContact CG1-CD1 4.3Å; V26-I90 HydrophobicContact CG2-CD1 4.2Å; V26-I90 HydrophobicContact CG2-CG1 4.46Å; R86-I90 HydrophobicContact CB-CG1 4.28Å; R86-I90 HydrophobicContact CG-CG1 3.64Å; R86-I90 WeakPolarHBondContact O-CB 3.43Å; R86-I90 WeakPolarHBondContact O-CG1 3.22Å; R86-I90 PolarHBondContact O-N 2.89Å; R86-I90 VanDerWaalsContact O-N 3.15Å; I90-K92 PolarHBondContact O-N 3.31Å; I90-Q258 HydrophobicContact CD1-CB 3.96Å; I90-Q258 HydrophobicContact CG1-CB 4.21Å; I90-R259 HydrophobicContact CG2-CG 4.35Å; I90-R259 VanDerWaalsContact CG2-NE 3.25Å
91	G	92.8	Very high	94.2	Very high	36 Å²	36	43.4 Å²	43.4	37%	0.371	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	0.3	-176.6	0	0	0	0	0	115.5	V23 L89 R259	V23-G91 PolarHBondContact O-N 2.99Å; L89-G91 PolarHBondContact O-N 3.44Å; L89-G91 VanDerWaalsContact O-N 3.15Å; G91-R259 VanDerWaalsContact CA-NH2 3.33Å
92	K	95	Very high	93.8	Very high	117 Å²	117	45.4 Å²	45.4	51%	0.509	22%	0.222	S	C	.	.			trans	-83.1	149.5	174.2	-56.9	-61.9	-175.9	176.2	0	111	I22 V23 K88 L89 I90 L113	I22-K92 WeakPolarHBondContact CA-O 3.48Å; V23-K92 PolarHBondContact N-O 3.38Å; K88-K92 WeakPolarHBondContact O-CG 3.27Å; L89-K92 VanDerWaalsContact O-CB 3.28Å; L89-K92 WeakPolarHBondContact O-CB 3.47Å; L89-K92 PolarHBondContact O-N 2.95Å; I90-K92 PolarHBondContact O-N 3.31Å; K92-L113 HydrophobicContact CB-CD1 3.88Å; K92-L113 HydrophobicContact CG-CD1 4.25Å
93	E	94.4	Very high	93.3	Very high	83 Å²	83	50.5 Å²	50.5	39%	0.388	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.8	166.6	-169.1	179	-176.3	0	0	108.5	G21	G21-E93 WeakPolarHBondContact O-CA 3.19Å
94	V	96.3	Very high	92.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.8	176.1	-62.4	0	0	0	0	109.1	R20 G21 V23 V34 L89 V111 Y112 L113 G114	R20-V94 WeakPolarHBondContact CA-O 3.43Å; G21-V94 PolarHBondContact N-O 3.06Å; G21-V94 PolarHBondContact O-N 2.88Å; V23-V94 HydrophobicContact CG2-CB 4.31Å; V23-V94 HydrophobicContact CG2-CG1 3.65Å; V23-V94 HydrophobicContact CG2-CG2 3.63Å; V34-V94 HydrophobicContact CG1-CG2 3.89Å; L89-V94 HydrophobicContact CD2-CG1 4.05Å; V94-V111 HydrophobicContact CB-CG1 3.98Å; V94-V111 HydrophobicContact CG1-CG1 4.28Å; V94-V111 HydrophobicContact CG2-CG1 4.07Å; V94-Y112 WeakPolarHBondContact CA-O 3.06Å; V94-Y112 WeakPolarHBondContact CB-O 3.49Å; V94-L113 HydrophobicContact CG1-CD1 4.21Å; V94-G114 CarbonylContact C-O 3.44Å
95	C	95.3	Very high	92.3	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	148.2	164.9	68.7	0	0	0	0	110.8	L18 Q19 R20 Y112 G114 D116	L18-C95 HydrophobicContact CD1-CB 3.93Å; L18-C95 HydrophobicContact CG-CB 4.33Å; Q19-C95 CarbonylContact O-C 3.54Å; Q19-C95 WeakPolarHBondContact O-CA 3.4Å; Q19-C95 VanDerWaalsContact O-CB 3.31Å; Q19-C95 WeakPolarHBondContact O-CB 3.28Å; R20-C95 HydrophobicContact CG-CB 4.04Å; C95-Y112 PolarHBondContact N-O 2.88Å; C95-Y112 VanDerWaalsContact N-O 3.1Å; C95-Y112 PolarHBondContact O-N 2.88Å; C95-G114 PolarHBondContact N-O 3.19Å; C95-D116 VanDerWaalsContact SG-CA 3.54Å; C95-D116 PolarHBondContact SG-O 3.24Å
96	F	94.3	Very high	91.8	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	151.8	-175.3	61.8	-85.6	0	0	0	111.5	Q19 V34 I48 V98 M110 V111	Q19-F96 HydrophobicContact CB-CD2 4.3Å; Q19-F96 HydrophobicContact CB-CE1 4.06Å; Q19-F96 HydrophobicContact CB-CE2 3.81Å; Q19-F96 HydrophobicContact CB-CZ 3.68Å; Q19-F96 PolarHBondContact N-O 2.86Å; Q19-F96 PolarHBondContact O-N 2.95Å; V34-F96 HydrophobicContact CB-CE1 4.44Å; V34-F96 HydrophobicContact CG2-CD1 4.5Å; V34-F96 HydrophobicContact CG2-CE1 3.73Å; V34-F96 HydrophobicContact CG2-CZ 3.84Å; I48-F96 HydrophobicContact CD1-CD2 3.74Å; I48-F96 HydrophobicContact CD1-CE2 3.56Å; I48-F96 HydrophobicContact CD1-CZ 4.34Å; I48-F96 HydrophobicContact CG1-CD2 3.94Å; I48-F96 HydrophobicContact CG1-CE2 4Å; I48-F96 HydrophobicContact CG1-CG 4.38Å; I48-F96 HydrophobicContact CG1-CZ 4.49Å; F96-V98 HydrophobicContact CD2-CG2 4.16Å; F96-V98 HydrophobicContact CE2-CG2 4.21Å; F96-M110 WeakPolarHBondContact CA-O 3.3Å; F96-M110 WeakPolarHBondContact CB-O 3.5Å; F96-V111 HydrophobicContact CB-CG2 4.08Å
97	T	92.6	Very high	91.7	Very high	23 Å²	23	61.6 Å²	61.6	14%	0.141	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.1	171.7	50.5	0	0	0	0	108.3	L18 G109 M110	L18-T97 HydrophobicContact CD1-CG2 3.91Å; T97-G109 CarbonylContact O-C 3.59Å; T97-G109 WeakPolarHBondContact O-CA 3.22Å; T97-M110 PolarHBondContact N-O 3.34Å; T97-M110 VanDerWaalsContact N-O 3.09Å; T97-M110 PolarHBondContact O-N 3.18Å
98	V	91.1	Very high	91.4	Very high	22 Å²	22	56.1 Å²	56.1	13%	0.133	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.1	173.8	178.6	0	0	0	0	108.4	S16 I48 F96 E107	S16-V98 VanDerWaalsContact CB-O 3.24Å; S16-V98 WeakPolarHBondContact CB-O 3.24Å; S16-V98 PolarHBondContact OG-O 2.82Å; I48-V98 HydrophobicContact CD1-CG2 4.08Å; F96-V98 HydrophobicContact CD2-CG2 4.16Å; F96-V98 HydrophobicContact CE2-CG2 4.21Å; V98-E107 HydrophobicContact CG1-CB 3.99Å; V98-E107 HydrophobicContact CG1-CG 4.28Å
99	E	86.6	Confident	91.2	Very high	70 Å²	70	53.5 Å²	53.5	33%	0.327	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-43.9	-173.9	-62.4	176.1	158.8	0	0	111.1	S51 Y108 M110	S51-E99 WeakPolarHBondContact CB-OE2 3.47Å; S51-E99 PolarHBondContact OG-OE2 2.87Å; E99-Y108 PolarHBondContact N-O 2.68Å; E99-M110 WeakPolarHBondContact OE1-CE 3.45Å; E99-M110 VanDerWaalsContact OE1-CG 3.28Å; E99-M110 WeakPolarHBondContact OE1-CG 3.07Å
100	I	86.6	Confident	91	Very high	99 Å²	99	53.9 Å²	53.9	51%	0.508	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.9	-174.8	-56.4	172.8	0	0	0	109	E107 Y108	I100-E107 CarbonylContact O-C 3.59Å; I100-E107 WeakPolarHBondContact O-CA 2.94Å; I100-Y108 PolarHBondContact N-O 2.89Å; I100-Y108 PolarHBondContact O-N 2.99Å
101	K	89	Confident	91	Very high	137 Å²	137	52.8 Å²	52.8	60%	0.596	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.6	167.3	-171.9	165.3	-175.1	152.9	0	109.2	R106 E107	K101-R106 WeakPolarHBondContact CA-O 3.4Å; K101-E107 HydrophobicContact CB-CG 4.41Å; K101-E107 HydrophobicContact CD-CG 4.07Å; K101-E107 WeakPolarHBondContact CE-OE1 3.49Å; K101-E107 HydrophobicContact CG-CG 3.96Å; K101-E107 IonicContact NZ-OE1 3.26Å; K101-E107 PolarHBondContact NZ-OE1 3.22Å
102	T	88	Confident	91.1	Very high	42 Å²	42	52.2 Å²	52.2	26%	0.258	28%	0.275	S	S	.	.			trans	-75.4	159.4	179.3	63.2	0	0	0	0	111.4	I104 G105 R106 Y108	T102-I104 PolarHBondContact O-N 3.29Å; T102-I104 VanDerWaalsContact O-N 3.16Å; T102-I104 WeakPolarHBondContact OG1-CG1 3.38Å; T102-G105 PolarHBondContact O-N 2.87Å; T102-R106 HydrophobicContact CG2-CB 4.36Å; T102-R106 PolarHBondContact N-O 3.11Å; T102-R106 WeakPolarHBondContact OG1-CA 3.39Å; T102-R106 WeakPolarHBondContact OG1-CB 3.49Å; T102-R106 PolarHBondContact OG1-N 2.89Å; T102-R106 PolarHBondContact OG1-O 3.15Å; T102-R106 VanDerWaalsContact OG1-O 3.12Å; T102-Y108 HydrophobicContact CG2-CD2 4.21Å; T102-Y108 HydrophobicContact CG2-CE2 3.85Å
103	A	85.6	Confident	91.1	Very high	116 Å²	116	48.8 Å²	48.8	96%	0.959	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.2	176.8	0	0	0	0	0	113.5	G105	A103-G105 VanDerWaalsContact C-N 3.27Å; A103-G105 PolarHBondContact O-N 3.13Å
104	I	86.4	Confident	90.9	Very high	128 Å²	128	46 Å²	46	66%	0.656	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	11.4	175.4	61.2	169	0	0	0	113.3	T102 R106	T102-I104 PolarHBondContact O-N 3.29Å; T102-I104 VanDerWaalsContact O-N 3.16Å; T102-I104 WeakPolarHBondContact OG1-CG1 3.38Å; I104-R106 HydrophobicContact CD1-CG 4.15Å; I104-R106 HydrophobicContact CG1-CG 4.21Å; I104-R106 PolarHBondContact O-N 2.91Å
105	G	85.3	Confident	90.5	Very high	44 Å²	44	52.1 Å²	52.1	45%	0.454	28%	0.282	S	S	.	.	S	Bend	trans	82.7	2.4	173.4	0	0	0	0	0	116.3	T102 A103	T102-G105 PolarHBondContact O-N 2.87Å; A103-G105 VanDerWaalsContact C-N 3.27Å; A103-G105 PolarHBondContact O-N 3.13Å
106	R	88.1	Confident	90.3	Very high	131 Å²	131	55.5 Å²	55.5	49%	0.494	30%	0.3	S	S	.	.			trans	-72.3	137.7	173.2	-60.2	-178.9	-179.3	178.3	1.6	111	K101 T102 I104 Y108	K101-R106 WeakPolarHBondContact CA-O 3.4Å; T102-R106 HydrophobicContact CG2-CB 4.36Å; T102-R106 PolarHBondContact N-O 3.11Å; T102-R106 WeakPolarHBondContact OG1-CA 3.39Å; T102-R106 WeakPolarHBondContact OG1-CB 3.49Å; T102-R106 PolarHBondContact OG1-N 2.89Å; T102-R106 PolarHBondContact OG1-O 3.15Å; T102-R106 VanDerWaalsContact OG1-O 3.12Å; I104-R106 HydrophobicContact CD1-CG 4.15Å; I104-R106 HydrophobicContact CG1-CG 4.21Å; I104-R106 PolarHBondContact O-N 2.91Å; R106-Y108 HydrophobicContact CB-CE2 4.17Å
107	E	92.8	Very high	90.1	Very high	15 Å²	15	58.8 Å²	58.8	7%	0.07	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.4	-177.3	-65.1	179.5	162.5	0	0	110.1	R46 N49 V98 I100 K101	R46-E107 IonicContact CZ-OE1 2.83Å; R46-E107 IonicContact CZ-OE2 3.81Å; R46-E107 IonicContact NE-OE1 3.94Å; R46-E107 IonicContact NE-OE2 3.74Å; R46-E107 PolarHBondContact NE-OE2 2.83Å; R46-E107 IonicContact NH2-OE1 3.45Å; R46-E107 PolarHBondContact NH2-OE1 3.25Å; R46-E107 IonicContact NH2-OE2 3Å; R46-E107 PolarHBondContact NH2-OE2 3.05Å; N49-E107 WeakPolarHBondContact CB-O 3.47Å; N49-E107 PolarHBondContact N-O 2.72Å; V98-E107 HydrophobicContact CG1-CB 3.99Å; V98-E107 HydrophobicContact CG1-CG 4.28Å; I100-E107 CarbonylContact O-C 3.59Å; I100-E107 WeakPolarHBondContact O-CA 2.94Å; K101-E107 HydrophobicContact CB-CG 4.41Å; K101-E107 HydrophobicContact CD-CG 4.07Å; K101-E107 WeakPolarHBondContact CE-OE1 3.49Å; K101-E107 HydrophobicContact CG-CG 3.96Å; K101-E107 IonicContact NZ-OE1 3.26Å; K101-E107 PolarHBondContact NZ-OE1 3.22Å
108	Y	91.3	Very high	89.9	Confident	34 Å²	34	63.7 Å²	63.7	13%	0.133	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.4	176.3	-68.6	-98	0	0	0	109.8	N49 E99 I100 T102 R106	N49-Y108 HydrophobicContact CB-CD1 3.46Å; N49-Y108 VanDerWaalsContact CB-CD1 3.46Å; N49-Y108 HydrophobicContact CB-CD2 4.44Å; N49-Y108 HydrophobicContact CB-CE1 3.51Å; N49-Y108 HydrophobicContact CB-CE2 4.49Å; N49-Y108 HydrophobicContact CB-CG 3.96Å; N49-Y108 CarbonylContact O-C 3.52Å; N49-Y108 VanDerWaalsContact O-CA 3.26Å; N49-Y108 WeakPolarHBondContact O-CA 3.41Å; E99-Y108 PolarHBondContact N-O 2.68Å; I100-Y108 PolarHBondContact N-O 2.89Å; I100-Y108 PolarHBondContact O-N 2.99Å; T102-Y108 HydrophobicContact CG2-CD2 4.21Å; T102-Y108 HydrophobicContact CG2-CE2 3.85Å; R106-Y108 HydrophobicContact CB-CE2 4.17Å
109	G	91.9	Very high	89.8	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	170.9	-174.7	0	0	0	0	0	114.3	N49 S51 T97	N49-G109 PolarHBondContact O-N 3.05Å; S51-G109 PolarHBondContact N-O 2.76Å; S51-G109 WeakPolarHBondContact OG-CA 3.39Å; S51-G109 PolarHBondContact OG-N 3.35Å; T97-G109 CarbonylContact O-C 3.59Å; T97-G109 WeakPolarHBondContact O-CA 3.22Å
110	M	91.7	Very high	90.1	Very high	8 Å²	8	63.9 Å²	63.9	4%	0.039	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	141.5	170.1	-64.7	-175.2	179.9	0	0	110.2	F96 T97 E99 Y112 E145	F96-M110 WeakPolarHBondContact CA-O 3.3Å; F96-M110 WeakPolarHBondContact CB-O 3.5Å; T97-M110 PolarHBondContact N-O 3.34Å; T97-M110 VanDerWaalsContact N-O 3.09Å; T97-M110 PolarHBondContact O-N 3.18Å; E99-M110 WeakPolarHBondContact OE1-CE 3.45Å; E99-M110 VanDerWaalsContact OE1-CG 3.28Å; E99-M110 WeakPolarHBondContact OE1-CG 3.07Å; M110-Y112 HydrophobicContact CB-CE2 3.66Å; M110-Y112 PolarHBondContact SD-OH 2.81Å; M110-Y112 VanDerWaalsContact SD-OH 3.36Å; M110-E145 HydrophobicContact CE-CB 3.89Å; M110-E145 HydrophobicContact CE-CG 4.13Å; M110-E145 WeakPolarHBondContact CE-OE2 3.3Å
111	V	95.6	Very high	90.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.8	-179.8	-178.4	0	0	0	0	108.4	I32 I48 L50 V94 F96 I122	I32-V111 HydrophobicContact CD1-CB 4.38Å; I32-V111 HydrophobicContact CD1-CG1 3.76Å; I32-V111 HydrophobicContact CD1-CG2 3.82Å; I48-V111 HydrophobicContact CG2-CG2 3.94Å; L50-V111 HydrophobicContact CD2-CB 3.96Å; L50-V111 HydrophobicContact CD2-CG2 3.64Å; V94-V111 HydrophobicContact CB-CG1 3.98Å; V94-V111 HydrophobicContact CG1-CG1 4.28Å; V94-V111 HydrophobicContact CG2-CG1 4.07Å; F96-V111 HydrophobicContact CB-CG2 4.08Å; V111-I122 HydrophobicContact CB-CB 4.29Å; V111-I122 HydrophobicContact CB-CG1 4.24Å; V111-I122 HydrophobicContact CG1-CG1 3.99Å; V111-I122 WeakPolarHBondContact O-CG1 3.37Å; V111-I122 PolarHBondContact O-N 3.45Å
112	Y	95.8	Very high	90.9	Very high	24 Å²	24	53.3 Å²	53.3	9%	0.094	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.7	179.5	-57	-93.7	0	0	0	109.7	V94 C95 M110 G114 T117 E120 N121	V94-Y112 WeakPolarHBondContact CA-O 3.06Å; V94-Y112 WeakPolarHBondContact CB-O 3.49Å; C95-Y112 PolarHBondContact N-O 2.88Å; C95-Y112 VanDerWaalsContact N-O 3.1Å; C95-Y112 PolarHBondContact O-N 2.88Å; M110-Y112 HydrophobicContact CB-CE2 3.66Å; M110-Y112 PolarHBondContact SD-OH 2.81Å; M110-Y112 VanDerWaalsContact SD-OH 3.36Å; Y112-G114 PolarHBondContact O-N 2.98Å; Y112-T117 HydrophobicContact CD2-CG2 4.02Å; Y112-T117 HydrophobicContact CE2-CG2 3.89Å; Y112-E120 CarbonylContact C-O 3.59Å; Y112-E120 WeakPolarHBondContact CA-O 3.42Å; Y112-N121 HydrophobicContact CD1-CB 4.14Å; Y112-N121 HydrophobicContact CE1-CB 4.01Å
113	L	94.6	Very high	91.2	Very high	45 Å²	45	51.5 Å²	51.5	24%	0.236	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	100.9	173.6	-177.8	60.4	0	0	0	109.6	K88 L89 K92 V94 G119 E120 I122	K88-L113 HydrophobicContact CG-CD2 4.22Å; L89-L113 HydrophobicContact CD2-CD1 3.98Å; K92-L113 HydrophobicContact CB-CD1 3.88Å; K92-L113 HydrophobicContact CG-CD1 4.25Å; V94-L113 HydrophobicContact CG1-CD1 4.21Å; L113-G119 WeakPolarHBondContact O-CA 3.38Å; L113-E120 HydrophobicContact CB-CB 4.38Å; L113-E120 PolarHBondContact N-O 3.39Å; L113-I122 HydrophobicContact CB-CD1 4.15Å
114	G	89.6	Confident	91.7	Very high	24 Å²	24	47 Å²	47	25%	0.247	26%	0.256	C	S	.	.	S	Bend	trans	150.2	-165.8	-176.1	0	0	0	0	0	112.5	V94 C95 Y112	V94-G114 CarbonylContact C-O 3.44Å; C95-G114 PolarHBondContact N-O 3.19Å; Y112-G114 PolarHBondContact O-N 2.98Å
115	K	88.8	Confident	92.2	Very high	128 Å²	128	41.8 Å²	41.8	56%	0.557	23%	0.23	S	C	*	.	S	Bend	trans	-98.8	-12.6	179.7	-66.2	-178.1	178.4	178.5	0	113.3	R20	R20-K115 VanDerWaalsContact CZ-O 3.31Å; R20-K115 PolarHBondContact NE-O 3.46Å; R20-K115 PolarHBondContact NH2-O 3.03Å
116	D	90.1	Very high	92.7	Very high	72 Å²	72	39.7 Å²	39.7	39%	0.385	21%	0.209	S	C	.	.	S	Bend	trans	-144	176.1	179.6	61.6	39.4	0	0	0	110.9	C95 T118 G119	C95-D116 VanDerWaalsContact SG-CA 3.54Å; C95-D116 PolarHBondContact SG-O 3.24Å; D116-T118 PolarHBondContact O-N 3.11Å; D116-T118 VanDerWaalsContact OD1-CB 3.32Å; D116-T118 WeakPolarHBondContact OD1-CB 3.37Å; D116-T118 PolarHBondContact OD1-N 2.83Å; D116-T118 PolarHBondContact OD1-OG1 3.16Å; D116-G119 PolarHBondContact O-N 3.39Å
117	T	89.8	Confident	93.1	Very high	73 Å²	73	33.5 Å²	33.5	45%	0.448	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	4.6	-176.3	58.2	0	0	0	0	113.9	L18 Y112 G119	L18-T117 HydrophobicContact CD1-CG2 3.72Å; L18-T117 HydrophobicContact CD2-CG2 4.32Å; Y112-T117 HydrophobicContact CD2-CG2 4.02Å; Y112-T117 HydrophobicContact CE2-CG2 3.89Å; T117-G119 VanDerWaalsContact C-N 3.31Å
118	T	89.6	Confident	93.3	Very high	125 Å²	125	34.9 Å²	34.9	77%	0.767	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-15.1	173	73.2	0	0	0	0	112.2	D116	D116-T118 PolarHBondContact O-N 3.11Å; D116-T118 VanDerWaalsContact OD1-CB 3.32Å; D116-T118 WeakPolarHBondContact OD1-CB 3.37Å; D116-T118 PolarHBondContact OD1-N 2.83Å; D116-T118 PolarHBondContact OD1-OG1 3.16Å
119	G	88.4	Confident	93.5	Very high	22 Å²	22	36.3 Å²	36.3	23%	0.227	20%	0.201	C	C	.	.	S	Bend	trans	-65.8	173	174.6	0	0	0	0	0	113.2	L113 D116 T117 N121	L113-G119 WeakPolarHBondContact O-CA 3.38Å; D116-G119 PolarHBondContact O-N 3.39Å; T117-G119 VanDerWaalsContact C-N 3.31Å; G119-N121 PolarHBondContact O-N 3.18Å
120	E	93.8	Very high	93.7	Very high	75 Å²	75	36.3 Å²	36.3	35%	0.35	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	127.4	-178.9	-175.6	-171.5	121.1	0	0	111.7	K88 Y112 L113 I122 S125	K88-E120 WeakPolarHBondContact CE-OE1 3.48Å; K88-E120 WeakPolarHBondContact CE-OE2 3.48Å; K88-E120 IonicContact NZ-OE1 3.78Å; K88-E120 PolarHBondContact NZ-OE1 2.89Å; K88-E120 IonicContact NZ-OE2 2.72Å; K88-E120 PolarHBondContact NZ-OE2 2.85Å; Y112-E120 CarbonylContact C-O 3.59Å; Y112-E120 WeakPolarHBondContact CA-O 3.42Å; L113-E120 HydrophobicContact CB-CB 4.38Å; L113-E120 PolarHBondContact N-O 3.39Å; E120-I122 PolarHBondContact O-N 3.49Å; E120-S125 VanDerWaalsContact CD-OG 3.31Å; E120-S125 VanDerWaalsContact CG-OG 3.25Å; E120-S125 WeakPolarHBondContact CG-OG 3.13Å; E120-S125 PolarHBondContact OE1-OG 3.15Å
121	N	95.1	Very high	93.9	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.07	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	121.9	174	-173.4	-28.9	0	0	0	110.3	Y112 G119 A123 E124 S125	Y112-N121 HydrophobicContact CD1-CB 4.14Å; Y112-N121 HydrophobicContact CE1-CB 4.01Å; G119-N121 PolarHBondContact O-N 3.18Å; N121-A123 PolarHBondContact OD1-N 2.94Å; N121-E124 HydrophobicContact CB-CB 4.01Å; N121-E124 HydrophobicContact CB-CG 3.84Å; N121-E124 PolarHBondContact ND2-OE1 3.45Å; N121-E124 PolarHBondContact O-N 2.89Å; N121-S125 PolarHBondContact O-N 3.43Å; N121-S125 VanDerWaalsContact O-N 3.1Å; N121-S125 PolarHBondContact O-OG 3.17Å
122	I	96.4	Very high	93.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-70.5	-34.3	-174.8	-63.2	-50.7	0	0	0	112.6	L50 L85 L89 V111 L113 E120 S125 L126	L50-I122 HydrophobicContact CD1-CG2 3.95Å; L50-I122 HydrophobicContact CD2-CG2 4.28Å; L85-I122 HydrophobicContact CD1-CG2 4.43Å; L85-I122 HydrophobicContact CD2-CG2 3.4Å; L85-I122 VanDerWaalsContact CD2-CG2 3.4Å; L89-I122 HydrophobicContact CD1-CD1 4.37Å; L89-I122 HydrophobicContact CD1-CG1 4.24Å; L89-I122 HydrophobicContact CD1-CG2 4.04Å; L89-I122 HydrophobicContact CD2-CD1 3.63Å; L89-I122 HydrophobicContact CD2-CG1 4.07Å; L89-I122 HydrophobicContact CG-CD1 4.35Å; V111-I122 HydrophobicContact CB-CB 4.29Å; V111-I122 HydrophobicContact CB-CG1 4.24Å; V111-I122 HydrophobicContact CG1-CG1 3.99Å; V111-I122 WeakPolarHBondContact O-CG1 3.37Å; V111-I122 PolarHBondContact O-N 3.45Å; L113-I122 HydrophobicContact CB-CD1 4.15Å; E120-I122 PolarHBondContact O-N 3.49Å; I122-S125 PolarHBondContact O-N 3.27Å; I122-L126 PolarHBondContact O-N 3.07Å
123	A	94.8	Very high	93.8	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-68.2	-43.2	177.8	0	0	0	0	0	111.1	I53 N121 S125 L126 V127 L149	I53-A123 HydrophobicContact CD1-CB 3.91Å; I53-A123 HydrophobicContact CG1-CB 4.41Å; I53-A123 HydrophobicContact CG2-CB 4.08Å; N121-A123 PolarHBondContact OD1-N 2.94Å; A123-S125 VanDerWaalsContact C-N 3.33Å; A123-S125 PolarHBondContact O-N 3.13Å; A123-L126 PolarHBondContact O-N 3.17Å; A123-V127 WeakPolarHBondContact O-CG2 3.25Å; A123-V127 PolarHBondContact O-N 3.4Å; A123-L149 HydrophobicContact CB-CD2 4.41Å
124	E	95.6	Very high	93.7	Very high	22 Å²	22	35.6 Å²	35.6	10%	0.103	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-44.8	174.6	-70.5	-179.3	-153.3	0	0	111.9	N121 L126 V127 N128 R148 L149 L152	N121-E124 HydrophobicContact CB-CB 4.01Å; N121-E124 HydrophobicContact CB-CG 3.84Å; N121-E124 PolarHBondContact ND2-OE1 3.45Å; N121-E124 PolarHBondContact O-N 2.89Å; E124-L126 PolarHBondContact O-N 3.28Å; E124-V127 PolarHBondContact O-N 2.73Å; E124-N128 VanDerWaalsContact O-CB 3.29Å; E124-N128 WeakPolarHBondContact O-CB 3.08Å; E124-N128 PolarHBondContact O-N 3.19Å; E124-R148 VanDerWaalsContact CD-NE 3.28Å; E124-R148 IonicContact OE1-CZ 3.95Å; E124-R148 IonicContact OE1-NE 3.28Å; E124-R148 PolarHBondContact OE1-NE 2.88Å; E124-R148 IonicContact OE1-NH1 3.82Å; E124-R148 IonicContact OE1-NH2 3.55Å; E124-R148 IonicContact OE2-CZ 2.79Å; E124-R148 IonicContact OE2-NE 2.63Å; E124-R148 PolarHBondContact OE2-NE 2.69Å; E124-R148 IonicContact OE2-NH2 2.72Å; E124-R148 PolarHBondContact OE2-NH2 2.87Å; E124-L149 HydrophobicContact CB-CD2 4.27Å; E124-L149 HydrophobicContact CG-CD2 3.72Å; E124-L152 HydrophobicContact CB-CD1 3.5Å; E124-L152 HydrophobicContact CG-CD1 3.7Å
125	S	96.3	Very high	93.7	Very high	18 Å²	18	39.7 Å²	39.7	13%	0.126	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-38.6	-177.6	-58.7	0	0	0	0	112.7	E120 N121 I122 A123 E129	E120-S125 VanDerWaalsContact CD-OG 3.31Å; E120-S125 VanDerWaalsContact CG-OG 3.25Å; E120-S125 WeakPolarHBondContact CG-OG 3.13Å; E120-S125 PolarHBondContact OE1-OG 3.15Å; N121-S125 PolarHBondContact O-N 3.43Å; N121-S125 VanDerWaalsContact O-N 3.1Å; N121-S125 PolarHBondContact O-OG 3.17Å; I122-S125 PolarHBondContact O-N 3.27Å; A123-S125 VanDerWaalsContact C-N 3.33Å; A123-S125 PolarHBondContact O-N 3.13Å; S125-E129 PolarHBondContact O-N 3.5Å
126	L	96.5	Very high	93.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-42.5	174.1	-80	170.9	0	0	0	112.6	C30 L50 I53 A81 F84 L85 I122 A123 E124 E129 G130 L131 A132	C30-L126 HydrophobicContact CB-CD1 3.76Å; L50-L126 HydrophobicContact CD1-CD1 3.64Å; I53-L126 HydrophobicContact CD1-CB 4.4Å; I53-L126 HydrophobicContact CD1-CD1 3.85Å; A81-L126 HydrophobicContact CB-CD2 4.29Å; F84-L126 HydrophobicContact CD1-CD2 3.85Å; F84-L126 HydrophobicContact CE1-CD2 4.45Å; L85-L126 HydrophobicContact CD1-CD1 4Å; L85-L126 HydrophobicContact CD2-CD1 3.95Å; L85-L126 HydrophobicContact CD2-CD2 4.04Å; L85-L126 HydrophobicContact CD2-CG 3.9Å; L85-L126 HydrophobicContact CG-CD1 4.11Å; L85-L126 HydrophobicContact CG-CD2 4.09Å; L85-L126 HydrophobicContact CG-CG 4.33Å; I122-L126 PolarHBondContact O-N 3.07Å; A123-L126 PolarHBondContact O-N 3.17Å; E124-L126 PolarHBondContact O-N 3.28Å; L126-E129 PolarHBondContact O-N 2.82Å; L126-G130 PolarHBondContact O-N 2.95Å; L126-L131 HydrophobicContact CD2-CB 3.81Å; L126-L131 HydrophobicContact CD2-CD1 4.31Å; L126-L131 PolarHBondContact O-N 3.16Å; L126-A132 HydrophobicContact CB-CB 3.96Å; L126-A132 PolarHBondContact O-N 3.31Å
127	V	96.6	Very high	91.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.7	-41.3	-179.8	173.4	0	0	0	0	111	I53 A123 E124 E129 G130 A132 V134 L149 L152 E153 S156	I53-V127 HydrophobicContact CB-CG2 4.45Å; I53-V127 HydrophobicContact CG2-CG2 3.65Å; A123-V127 WeakPolarHBondContact O-CG2 3.25Å; A123-V127 PolarHBondContact O-N 3.4Å; E124-V127 PolarHBondContact O-N 2.73Å; V127-E129 VanDerWaalsContact C-N 3.26Å; V127-E129 PolarHBondContact O-N 2.88Å; V127-G130 PolarHBondContact O-N 2.89Å; V127-A132 HydrophobicContact CG2-CB 4.25Å; V127-V134 HydrophobicContact CG1-CG2 4.11Å; V127-V134 HydrophobicContact CG2-CG2 4.29Å; V127-L149 HydrophobicContact CB-CD2 4.45Å; V127-L149 WeakPolarHBondContact CG1-O 3.48Å; V127-L149 HydrophobicContact CG2-CD2 4.14Å; V127-L152 HydrophobicContact CG1-CB 4.11Å; V127-E153 HydrophobicContact CG1-CB 3.61Å; V127-E153 HydrophobicContact CG1-CG 4.24Å; V127-S156 VanDerWaalsContact O-CB 3.27Å; V127-S156 WeakPolarHBondContact O-CB 3.27Å; V127-S156 PolarHBondContact O-OG 2.71Å
128	N	96.3	Very high	90.3	Very high	45 Å²	45	45.8 Å²	45.8	24%	0.241	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-31.1	177.8	-172.8	54	0	0	0	113.2	E124 G130 L152 S156 K161	E124-N128 VanDerWaalsContact O-CB 3.29Å; E124-N128 WeakPolarHBondContact O-CB 3.08Å; E124-N128 PolarHBondContact O-N 3.19Å; N128-G130 VanDerWaalsContact C-N 3.33Å; N128-L152 HydrophobicContact CB-CD2 4.23Å; N128-S156 VanDerWaalsContact O-CB 3.24Å; N128-S156 WeakPolarHBondContact O-CB 3.06Å; N128-K161 VanDerWaalsContact O-CD 3.28Å; N128-K161 WeakPolarHBondContact O-CD 3.35Å
129	E	96.1	Very high	88.5	Confident	64 Å²	64	45.4 Å²	45.4	30%	0.299	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	4.1	174.6	-65.3	-53.6	136.3	0	0	113.6	F84 S125 L126 V127 L131 K161	F84-E129 HydrophobicContact CE2-CG 4.01Å; F84-E129 HydrophobicContact CZ-CG 4.07Å; S125-E129 PolarHBondContact O-N 3.5Å; L126-E129 PolarHBondContact O-N 2.82Å; V127-E129 VanDerWaalsContact C-N 3.26Å; V127-E129 PolarHBondContact O-N 2.88Å; E129-L131 VanDerWaalsContact C-N 3.3Å; E129-L131 HydrophobicContact CB-CD1 3.97Å; E129-L131 HydrophobicContact CB-CG 4.13Å; E129-L131 PolarHBondContact O-N 2.85Å; E129-K161 IonicContact OE1-NZ 2.71Å; E129-K161 PolarHBondContact OE1-NZ 3.18Å; E129-K161 IonicContact OE2-NZ 2.96Å; E129-K161 PolarHBondContact OE2-NZ 3.39Å
130	G	95.6	Very high	86.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	30.5	-179.6	0	0	0	0	0	113.2	L126 V127 N128 M163	L126-G130 PolarHBondContact O-N 2.95Å; V127-G130 PolarHBondContact O-N 2.89Å; N128-G130 VanDerWaalsContact C-N 3.33Å; G130-M163 WeakPolarHBondContact O-CE 3.31Å; G130-M163 WeakPolarHBondContact O-CG 3.06Å; G130-M163 PolarHBondContact O-N 3.15Å
131	L	96.2	Very high	84.7	Confident	13 Å²	13	55.3 Å²	55.3	7%	0.068	29%	0.285	C	S	.	.	S	Bend	trans	-104.8	-7.2	-178.1	-63.9	174.3	0	0	0	112.9	W77 Q80 A81 F84 L126 E129 M163	W77-L131 HydrophobicContact CB-CD2 4.39Å; W77-L131 HydrophobicContact CE3-CD2 4.08Å; Q80-L131 HydrophobicContact CB-CD2 4.01Å; A81-L131 HydrophobicContact CB-CB 3.84Å; A81-L131 HydrophobicContact CB-CD2 4.47Å; F84-L131 HydrophobicContact CB-CD1 3.66Å; F84-L131 HydrophobicContact CD1-CD1 4.2Å; F84-L131 HydrophobicContact CD2-CD1 4.17Å; F84-L131 HydrophobicContact CG-CD1 3.76Å; L126-L131 HydrophobicContact CD2-CB 3.81Å; L126-L131 HydrophobicContact CD2-CD1 4.31Å; L126-L131 PolarHBondContact O-N 3.16Å; E129-L131 VanDerWaalsContact C-N 3.3Å; E129-L131 HydrophobicContact CB-CD1 3.97Å; E129-L131 HydrophobicContact CB-CG 4.13Å; E129-L131 PolarHBondContact O-N 2.85Å; L131-M163 VanDerWaalsContact C-CE 3.45Å
132	A	95.9	Very high	82.9	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.9	171.4	0	0	0	0	0	111	I53 R54 A55 L126 V127	I53-A132 HydrophobicContact CB-CB 4.23Å; I53-A132 HydrophobicContact CD1-CB 3.94Å; I53-A132 HydrophobicContact CG1-CB 4.49Å; R54-A132 CarbonylContact O-C 3.49Å; R54-A132 WeakPolarHBondContact O-CA 3.12Å; A55-A132 HydrophobicContact CB-CB 4.18Å; L126-A132 HydrophobicContact CB-CB 3.96Å; L126-A132 PolarHBondContact O-N 3.31Å; V127-A132 HydrophobicContact CG2-CB 4.25Å
133	T	94.1	Very high	81.8	Confident	40 Å²	40	65.7 Å²	65.7	25%	0.245	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	153.1	173	58.7	0	0	0	0	111.1	I53 R54 E153 M163 W164	I53-T133 CarbonylContact C-O 3.48Å; I53-T133 VanDerWaalsContact CA-O 3.27Å; I53-T133 WeakPolarHBondContact CA-O 3.4Å; R54-T133 PolarHBondContact N-O 2.97Å; R54-T133 PolarHBondContact O-N 2.83Å; R54-T133 PolarHBondContact O-OG1 3.31Å; T133-E153 WeakPolarHBondContact CA-OE1 3.37Å; T133-M163 HydrophobicContact CG2-CE 4.3Å; T133-M163 HydrophobicContact CG2-SD 3.43Å; T133-M163 WeakPolarHBondContact CG2-SD 3.44Å; T133-W164 HydrophobicContact CG2-CH2 4.2Å; T133-W164 HydrophobicContact CG2-CZ2 4.18Å
134	V	92.8	Very high	81.1	Confident	9 Å²	9	70.3 Å²	70.3	6%	0.055	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	133.4	175.8	-172.7	0	0	0	0	110.7	N52 V127 Q146 L149 E153	N52-V134 CarbonylContact O-C 3.47Å; V127-V134 HydrophobicContact CG1-CG2 4.11Å; V127-V134 HydrophobicContact CG2-CG2 4.29Å; V134-Q146 HydrophobicContact CG1-CG 4.36Å; V134-L149 HydrophobicContact CG1-CB 4.25Å; V134-L149 HydrophobicContact CG2-CB 3.85Å; V134-E153 HydrophobicContact CG2-CB 4.02Å; V134-E153 HydrophobicContact CG2-CG 4.41Å; V134-E153 PolarHBondContact N-OE1 3.46Å
135	R	88.1	Confident	80.3	Confident	109 Å²	109	73 Å²	73	41%	0.411	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-75.9	125	173.2	-64.7	-172.8	-169.7	-164.8	2.1	109.7	N52 I53 R54 Q146	N52-R135 PolarHBondContact O-N 3.44Å; I53-R135 PolarHBondContact O-NE 3.13Å; I53-R135 PolarHBondContact O-NH2 2.88Å; R54-R135 HydrophobicContact CB-CG 4.28Å; R135-Q146 PolarHBondContact O-NE2 2.94Å
136	R	78.4	Confident	79.7	Confident	135 Å²	135	74 Å²	74	51%	0.509	39%	0.386	S	S	.	.			trans	-109	-1.5	-177.4	-59.3	-178.5	-177	-131.5	-1.4	114	I139 E153	R136-I139 HydrophobicContact CB-CD1 4.45Å; R136-I139 WeakPolarHBondContact O-CD1 3.45Å; R136-I139 WeakPolarHBondContact O-CG1 3.33Å; R136-E153 IonicContact CZ-OE2 3.05Å; R136-E153 IonicContact NH2-OE2 2.91Å; R136-E153 PolarHBondContact NH2-OE2 3.35Å
137	E	63.4	Low	79.2	Confident	194 Å²	194	76.2 Å²	76.2	91%	0.907	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	130.1	178	-69.5	-179.8	172.2	0	0	111.2
138	G	55.8	Low	78.9	Confident	73 Å²	73	82.7 Å²	82.7	75%	0.753	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.3	18.9	175.7	0	0	0	0	0	116.5	R140	G138-R140 PolarHBondContact O-N 2.87Å
139	I	52.9	Low	78.7	Confident	116 Å²	116	80.9 Å²	80.9	60%	0.595	42%	0.419	S	S	*	.			trans	-55.7	103.5	178.3	-60	164.1	0	0	0	110.3	R136	R136-I139 HydrophobicContact CB-CD1 4.45Å; R136-I139 WeakPolarHBondContact O-CD1 3.45Å; R136-I139 WeakPolarHBondContact O-CG1 3.33Å
140	R	47.9	Very low	78.5	Confident	240 Å²	240	79.3 Å²	79.3	91%	0.906	42%	0.415	S	S	*	.			trans	-111	101.6	161.5	-68.3	-171.8	-171.6	-170.1	3.2	107.3	G138	G138-R140 PolarHBondContact O-N 2.87Å
141	G	53	Low	78.3	Confident	65 Å²	65	84.9 Å²	84.9	67%	0.67	44%	0.441	S	S	*	.	S	Bend	trans	50.4	117.3	160.7	0	0	0	0	0	119.2	N143	G141-N143 PolarHBondContact O-N 3.44Å
142	N	57.4	Low	78.3	Confident	171 Å²	171	85.4 Å²	85.4	91%	0.914	44%	0.444	S	S	*	.			trans	36.4	63.9	158.1	-110.7	18.1	0	0	0	117.5	P144	N142-P144 WeakPolarHBondContact O-CD 3.25Å
143	N	74.3	Confident	78.2	Confident	61 Å²	61	85.8 Å²	85.8	33%	0.326	45%	0.445	S	S	.	.			trans	-89.8	110.7	162.1	-176	-12	0	0	0	110	G141 E145 Q146 A147	G141-N143 PolarHBondContact O-N 3.44Å; N143-E145 VanDerWaalsContact C-N 3.27Å; N143-E145 PolarHBondContact O-N 3.27Å; N143-E145 PolarHBondContact OD1-N 2.99Å; N143-Q146 HydrophobicContact CB-CB 4.12Å; N143-Q146 PolarHBondContact O-N 2.99Å; N143-A147 PolarHBondContact O-N 3.41Å; N143-A147 VanDerWaalsContact O-N 3.12Å
144	P	79.9	Confident	78.2	Confident	102 Å²	102	87.9 Å²	87.9	66%	0.662	46%	0.455	S	S	*	.	H	α-helix	trans	-58.8	-33.1	-179.9	-24.2	35	0	0	0	114.1	N142 A147 R148	N142-P144 WeakPolarHBondContact O-CD 3.25Å; P144-A147 PolarHBondContact O-N 2.73Å; P144-R148 PolarHBondContact O-N 2.76Å
145	E	78.9	Confident	78.3	Confident	79 Å²	79	92.2 Å²	92.2	37%	0.369	48%	0.475	S	S	.	.	H	α-helix	trans	-71.6	-35.6	-178.6	-63.1	168.3	151.1	0	0	111.3	M110 N143 L149	M110-E145 HydrophobicContact CE-CB 3.89Å; M110-E145 HydrophobicContact CE-CG 4.13Å; M110-E145 WeakPolarHBondContact CE-OE2 3.3Å; N143-E145 VanDerWaalsContact C-N 3.27Å; N143-E145 PolarHBondContact O-N 3.27Å; N143-E145 PolarHBondContact OD1-N 2.99Å; E145-L149 WeakPolarHBondContact O-CG 3.23Å; E145-L149 PolarHBondContact O-N 2.84Å
146	Q	82.6	Confident	78.6	Confident	37 Å²	37	87 Å²	87	17%	0.173	46%	0.455	C	S	.	.	H	α-helix	trans	-73	-35.9	174.8	-165.6	177.6	13.6	0	0	111.7	V134 R135 N143 L149 C150	V134-Q146 HydrophobicContact CG1-CG 4.36Å; R135-Q146 PolarHBondContact O-NE2 2.94Å; N143-Q146 HydrophobicContact CB-CB 4.12Å; N143-Q146 PolarHBondContact O-N 2.99Å; Q146-L149 PolarHBondContact O-N 2.73Å; Q146-C150 PolarHBondContact O-N 2.8Å; Q146-C150 VanDerWaalsContact O-N 3.07Å; Q146-C150 PolarHBondContact O-SG 3.09Å
147	A	86.4	Confident	79.4	Confident	47 Å²	47	83.9 Å²	83.9	39%	0.388	45%	0.445	S	S	.	.	H	α-helix	trans	-60.2	-45.9	173.8	0	0	0	0	0	111.3	N143 P144 L149 C150 E151	N143-A147 PolarHBondContact O-N 3.41Å; N143-A147 VanDerWaalsContact O-N 3.12Å; P144-A147 PolarHBondContact O-N 2.73Å; A147-L149 VanDerWaalsContact C-N 3.34Å; A147-L149 PolarHBondContact O-N 2.81Å; A147-C150 WeakPolarHBondContact O-CB 3.03Å; A147-C150 PolarHBondContact O-N 3.25Å; A147-C150 VanDerWaalsContact O-N 3.12Å; A147-E151 PolarHBondContact O-N 3.24Å
148	R	90.1	Very high	80.9	Confident	137 Å²	137	78.7 Å²	78.7	52%	0.517	44%	0.436	S	S	.	.	H	α-helix	trans	-59	-40.9	174.9	-176.8	174.1	173.9	172.1	-8.8	112.9	E124 P144 E151 L152	E124-R148 VanDerWaalsContact CD-NE 3.28Å; E124-R148 IonicContact OE1-CZ 3.95Å; E124-R148 IonicContact OE1-NE 3.28Å; E124-R148 PolarHBondContact OE1-NE 2.88Å; E124-R148 IonicContact OE1-NH1 3.82Å; E124-R148 IonicContact OE1-NH2 3.55Å; E124-R148 IonicContact OE2-CZ 2.79Å; E124-R148 IonicContact OE2-NE 2.63Å; E124-R148 PolarHBondContact OE2-NE 2.69Å; E124-R148 IonicContact OE2-NH2 2.72Å; E124-R148 PolarHBondContact OE2-NH2 2.87Å; P144-R148 PolarHBondContact O-N 2.76Å; R148-E151 PolarHBondContact O-N 3.21Å; R148-L152 HydrophobicContact CG-CD1 4.46Å; R148-L152 WeakPolarHBondContact O-CG 3.25Å; R148-L152 PolarHBondContact O-N 3.41Å
149	L	92.3	Very high	82.8	Confident	6 Å²	6	78.8 Å²	78.8	3%	0.031	43%	0.425	C	S	.	.	H	α-helix	trans	-63.3	-39.9	175	-73.5	170.8	0	0	0	112.2	N52 I53 A123 E124 V127 V134 E145 Q146 A147 L152 E153	N52-L149 HydrophobicContact CB-CD1 3.61Å; I53-L149 HydrophobicContact CG2-CD1 4.14Å; I53-L149 HydrophobicContact CG2-CD2 4.3Å; A123-L149 HydrophobicContact CB-CD2 4.41Å; E124-L149 HydrophobicContact CB-CD2 4.27Å; E124-L149 HydrophobicContact CG-CD2 3.72Å; V127-L149 HydrophobicContact CB-CD2 4.45Å; V127-L149 WeakPolarHBondContact CG1-O 3.48Å; V127-L149 HydrophobicContact CG2-CD2 4.14Å; V134-L149 HydrophobicContact CG1-CB 4.25Å; V134-L149 HydrophobicContact CG2-CB 3.85Å; E145-L149 WeakPolarHBondContact O-CG 3.23Å; E145-L149 PolarHBondContact O-N 2.84Å; Q146-L149 PolarHBondContact O-N 2.73Å; A147-L149 VanDerWaalsContact C-N 3.34Å; A147-L149 PolarHBondContact O-N 2.81Å; L149-L152 PolarHBondContact O-N 2.87Å; L149-E153 WeakPolarHBondContact O-CB 3.36Å; L149-E153 PolarHBondContact O-N 2.66Å
150	C	91.6	Very high	84.8	Confident	32 Å²	32	78.8 Å²	78.8	22%	0.216	42%	0.421	C	S	.	.	H	α-helix	trans	-63	-42.5	174.7	-70.2	0	0	0	0	111.9	Q146 A147 L152 E153 D154	Q146-C150 PolarHBondContact O-N 2.8Å; Q146-C150 VanDerWaalsContact O-N 3.07Å; Q146-C150 PolarHBondContact O-SG 3.09Å; A147-C150 WeakPolarHBondContact O-CB 3.03Å; A147-C150 PolarHBondContact O-N 3.25Å; A147-C150 VanDerWaalsContact O-N 3.12Å; C150-L152 PolarHBondContact O-N 3.4Å; C150-E153 WeakPolarHBondContact O-CB 3.48Å; C150-E153 PolarHBondContact O-N 3.01Å; C150-D154 PolarHBondContact O-N 3.08Å
151	E	92.3	Very high	87	Confident	116 Å²	116	70.4 Å²	70.4	54%	0.542	39%	0.391	S	S	.	.	H	α-helix	trans	-59.8	-45.1	175.7	-69.8	171.7	-169.1	0	0	111.9	A147 R148 E153 D154 Q155	A147-E151 PolarHBondContact O-N 3.24Å; R148-E151 PolarHBondContact O-N 3.21Å; E151-E153 VanDerWaalsContact C-N 3.31Å; E151-E153 PolarHBondContact O-N 3Å; E151-D154 PolarHBondContact O-N 3.31Å; E151-Q155 VanDerWaalsContact O-CG 3.3Å; E151-Q155 WeakPolarHBondContact O-CG 3.26Å; E151-Q155 PolarHBondContact O-N 2.88Å
152	L	95.3	Very high	88.9	Confident	25 Å²	25	67.9 Å²	67.9	13%	0.131	37%	0.365	C	S	.	.	H	α-helix	trans	-65	-34.3	176	-69.2	172	0	0	0	112.5	E124 V127 N128 R148 L149 C150 Q155 S156	E124-L152 HydrophobicContact CB-CD1 3.5Å; E124-L152 HydrophobicContact CG-CD1 3.7Å; V127-L152 HydrophobicContact CG1-CB 4.11Å; N128-L152 HydrophobicContact CB-CD2 4.23Å; R148-L152 HydrophobicContact CG-CD1 4.46Å; R148-L152 WeakPolarHBondContact O-CG 3.25Å; R148-L152 PolarHBondContact O-N 3.41Å; L149-L152 PolarHBondContact O-N 2.87Å; C150-L152 PolarHBondContact O-N 3.4Å; L152-Q155 PolarHBondContact O-N 2.94Å; L152-S156 WeakPolarHBondContact O-CB 3.4Å; L152-S156 PolarHBondContact O-N 3.02Å; L152-S156 PolarHBondContact O-OG 3.31Å
153	E	94.6	Very high	90.6	Very high	7 Å²	7	62.3 Å²	62.3	3%	0.033	33%	0.334	C	S	.	.	H	α-helix	trans	-66.2	-41.8	175.2	-166.6	-174	-117.9	0	0	111	V127 T133 V134 R136 L149 C150 E151 S156 K157 W164	V127-E153 HydrophobicContact CG1-CB 3.61Å; V127-E153 HydrophobicContact CG1-CG 4.24Å; T133-E153 WeakPolarHBondContact CA-OE1 3.37Å; V134-E153 HydrophobicContact CG2-CB 4.02Å; V134-E153 HydrophobicContact CG2-CG 4.41Å; V134-E153 PolarHBondContact N-OE1 3.46Å; R136-E153 IonicContact CZ-OE2 3.05Å; R136-E153 IonicContact NH2-OE2 2.91Å; R136-E153 PolarHBondContact NH2-OE2 3.35Å; L149-E153 WeakPolarHBondContact O-CB 3.36Å; L149-E153 PolarHBondContact O-N 2.66Å; C150-E153 WeakPolarHBondContact O-CB 3.48Å; C150-E153 PolarHBondContact O-N 3.01Å; E151-E153 VanDerWaalsContact C-N 3.31Å; E151-E153 PolarHBondContact O-N 3Å; E153-S156 PolarHBondContact O-N 3.48Å; E153-S156 PolarHBondContact O-OG 3.06Å; E153-S156 VanDerWaalsContact O-OG 3.04Å; E153-K157 VanDerWaalsContact O-CG 3.31Å; E153-K157 WeakPolarHBondContact O-CG 3.47Å; E153-K157 PolarHBondContact O-N 2.8Å; E153-K157 IonicContact OE2-NZ 3.54Å; E153-K157 PolarHBondContact OE2-NZ 2.94Å; E153-W164 HydrophobicContact CG-CZ2 3.85Å
154	D	94.3	Very high	91.5	Very high	85 Å²	85	63 Å²	63	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-70.2	-34.3	177.8	-67.5	-21.2	0	0	0	111.7	C150 E151 K157 A158	C150-D154 PolarHBondContact O-N 3.08Å; E151-D154 PolarHBondContact O-N 3.31Å; D154-K157 PolarHBondContact O-N 3Å; D154-K157 IonicContact OD1-NZ 3.04Å; D154-K157 PolarHBondContact OD1-NZ 3.29Å; D154-A158 WeakPolarHBondContact O-CB 3.33Å; D154-A158 PolarHBondContact O-N 3.34Å
155	Q	94.8	Very high	92.1	Very high	100 Å²	100	59.8 Å²	59.8	47%	0.467	31%	0.312	S	S	.	.	H	α-helix	trans	-63.6	-43.3	170.6	-72.5	174.1	30	0	0	112.5	E151 L152 K157 A158 S159	E151-Q155 VanDerWaalsContact O-CG 3.3Å; E151-Q155 WeakPolarHBondContact O-CG 3.26Å; E151-Q155 PolarHBondContact O-N 2.88Å; L152-Q155 PolarHBondContact O-N 2.94Å; Q155-K157 VanDerWaalsContact C-N 3.35Å; Q155-A158 PolarHBondContact O-N 3.45Å; Q155-S159 WeakPolarHBondContact O-CB 3.47Å; Q155-S159 PolarHBondContact O-N 3.39Å; Q155-S159 PolarHBondContact O-OG 2.98Å
156	S	95	Very high	92.5	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-70.2	-32.4	179.3	69.5	0	0	0	0	112.3	V127 N128 L152 E153 K160 K161 W164	V127-S156 VanDerWaalsContact O-CB 3.27Å; V127-S156 WeakPolarHBondContact O-CB 3.27Å; V127-S156 PolarHBondContact O-OG 2.71Å; N128-S156 VanDerWaalsContact O-CB 3.24Å; N128-S156 WeakPolarHBondContact O-CB 3.06Å; L152-S156 WeakPolarHBondContact O-CB 3.4Å; L152-S156 PolarHBondContact O-N 3.02Å; L152-S156 PolarHBondContact O-OG 3.31Å; E153-S156 PolarHBondContact O-N 3.48Å; E153-S156 PolarHBondContact O-OG 3.06Å; E153-S156 VanDerWaalsContact O-OG 3.04Å; S156-K160 PolarHBondContact O-N 2.8Å; S156-K160 VanDerWaalsContact O-N 3.1Å; S156-K161 PolarHBondContact O-N 2.86Å; S156-W164 PolarHBondContact OG-NE1 2.88Å; S156-W164 VanDerWaalsContact OG-NE1 3.13Å
157	K	94.6	Very high	92.4	Very high	68 Å²	68	64.3 Å²	64.3	30%	0.296	35%	0.35	S	S	.	.	H	α-helix	trans	-62.5	-51.5	168	-73.4	171	-162.3	146.6	0	112.2	E153 D154 Q155 S159 K160 W164	E153-K157 VanDerWaalsContact O-CG 3.31Å; E153-K157 WeakPolarHBondContact O-CG 3.47Å; E153-K157 PolarHBondContact O-N 2.8Å; E153-K157 IonicContact OE2-NZ 3.54Å; E153-K157 PolarHBondContact OE2-NZ 2.94Å; D154-K157 PolarHBondContact O-N 3Å; D154-K157 IonicContact OD1-NZ 3.04Å; D154-K157 PolarHBondContact OD1-NZ 3.29Å; Q155-K157 VanDerWaalsContact C-N 3.35Å; K157-S159 PolarHBondContact O-N 2.94Å; K157-K160 PolarHBondContact O-N 3.23Å; K157-W164 HydrophobicContact CB-CD2 4.5Å; K157-W164 HydrophobicContact CB-CG 4.3Å; K157-W164 HydrophobicContact CD-CD2 4.46Å; K157-W164 HydrophobicContact CD-CZ2 4.45Å; K157-W164 HydrophobicContact CG-CB 4.39Å; K157-W164 HydrophobicContact CG-CD2 3.44Å; K157-W164 VanDerWaalsContact CG-CD2 3.44Å; K157-W164 HydrophobicContact CG-CE3 3.85Å; K157-W164 HydrophobicContact CG-CG 3.69Å; K157-W164 HydrophobicContact CG-CH2 4.44Å; K157-W164 HydrophobicContact CG-CZ2 4.08Å; K157-W164 HydrophobicContact CG-CZ3 4.33Å
158	A	94.6	Very high	92.1	Very high	85 Å²	85	64.6 Å²	64.6	70%	0.702	36%	0.357	S	S	*	.	H	α-helix	trans	-59.7	-35.9	179.5	0	0	0	0	0	111.8	D154 Q155 K160	D154-A158 WeakPolarHBondContact O-CB 3.33Å; D154-A158 PolarHBondContact O-N 3.34Å; Q155-A158 PolarHBondContact O-N 3.45Å; A158-K160 VanDerWaalsContact C-N 3.31Å
159	S	95.6	Very high	92	Very high	75 Å²	75	58.1 Å²	58.1	52%	0.524	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	1.3	177.7	-53.3	0	0	0	0	114.1	Q155 K157 K161	Q155-S159 WeakPolarHBondContact O-CB 3.47Å; Q155-S159 PolarHBondContact O-N 3.39Å; Q155-S159 PolarHBondContact O-OG 2.98Å; K157-S159 PolarHBondContact O-N 2.94Å; S159-K161 VanDerWaalsContact C-N 3.25Å; S159-K161 PolarHBondContact O-N 3.48Å
160	K	95	Very high	91.8	Very high	117 Å²	117	62.5 Å²	62.5	51%	0.509	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	39.5	-178.4	-59.3	-174.4	177.4	-174.6	0	113.9	S156 K157 A158 S165 E166	S156-K160 PolarHBondContact O-N 2.8Å; S156-K160 VanDerWaalsContact O-N 3.1Å; K157-K160 PolarHBondContact O-N 3.23Å; A158-K160 VanDerWaalsContact C-N 3.31Å; K160-S165 WeakPolarHBondContact O-CA 3.33Å; K160-S165 WeakPolarHBondContact O-CB 3.39Å; K160-E166 IonicContact NZ-OE1 2.78Å; K160-E166 PolarHBondContact NZ-OE1 3.3Å
161	K	93.9	Very high	91.7	Very high	64 Å²	64	67.6 Å²	67.6	28%	0.278	38%	0.38	S	S	.	.			trans	-84.5	146	-179.2	-69.9	-176.9	172.2	-168.9	0	112.1	N128 E129 S156 S159 M163 W164	N128-K161 VanDerWaalsContact O-CD 3.28Å; N128-K161 WeakPolarHBondContact O-CD 3.35Å; E129-K161 IonicContact OE1-NZ 2.71Å; E129-K161 PolarHBondContact OE1-NZ 3.18Å; E129-K161 IonicContact OE2-NZ 2.96Å; E129-K161 PolarHBondContact OE2-NZ 3.39Å; S156-K161 PolarHBondContact O-N 2.86Å; S159-K161 VanDerWaalsContact C-N 3.25Å; S159-K161 PolarHBondContact O-N 3.48Å; K161-M163 PolarHBondContact O-N 2.79Å; K161-W164 WeakPolarHBondContact O-CB 3.34Å; K161-W164 PolarHBondContact O-N 3.34Å
162	G	93.4	Very high	91.8	Very high	12 Å²	12	62.3 Å²	62.3	12%	0.124	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	53	-124.5	172.2	0	0	0	0	0	112.9	W77 W164 S165	W77-G162 WeakPolarHBondContact CZ2-O 3.36Å; W77-G162 PolarHBondContact NE1-O 3.23Å; G162-W164 PolarHBondContact O-N 3.08Å; G162-S165 VanDerWaalsContact O-CB 3.3Å; G162-S165 WeakPolarHBondContact O-CB 3.2Å; G162-S165 PolarHBondContact O-N 3.44Å; G162-S165 PolarHBondContact O-OG 3.19Å
163	M	93	Very high	91.7	Very high	54 Å²	54	64 Å²	64	27%	0.266	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-62.9	-13.4	-179.8	73.1	-175.9	69.4	0	0	115.1	W77 G130 L131 T133 K161	W77-M163 VanDerWaalsContact CD1-CA 3.42Å; W77-M163 HydrophobicContact CG-CB 4.18Å; G130-M163 WeakPolarHBondContact O-CE 3.31Å; G130-M163 WeakPolarHBondContact O-CG 3.06Å; G130-M163 PolarHBondContact O-N 3.15Å; L131-M163 VanDerWaalsContact C-CE 3.45Å; T133-M163 HydrophobicContact CG2-CE 4.3Å; T133-M163 HydrophobicContact CG2-SD 3.43Å; T133-M163 WeakPolarHBondContact CG2-SD 3.44Å; K161-M163 PolarHBondContact O-N 2.79Å
164	W	93.9	Very high	91.7	Very high	76 Å²	76	64.8 Å²	64.8	29%	0.288	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-91.8	-1.3	175.7	-46.1	121.5	0	0	0	113.6	T133 E153 S156 K157 K161 G162	T133-W164 HydrophobicContact CG2-CH2 4.2Å; T133-W164 HydrophobicContact CG2-CZ2 4.18Å; E153-W164 HydrophobicContact CG-CZ2 3.85Å; S156-W164 PolarHBondContact OG-NE1 2.88Å; S156-W164 VanDerWaalsContact OG-NE1 3.13Å; K157-W164 HydrophobicContact CB-CD2 4.5Å; K157-W164 HydrophobicContact CB-CG 4.3Å; K157-W164 HydrophobicContact CD-CD2 4.46Å; K157-W164 HydrophobicContact CD-CZ2 4.45Å; K157-W164 HydrophobicContact CG-CB 4.39Å; K157-W164 HydrophobicContact CG-CD2 3.44Å; K157-W164 VanDerWaalsContact CG-CD2 3.44Å; K157-W164 HydrophobicContact CG-CE3 3.85Å; K157-W164 HydrophobicContact CG-CG 3.69Å; K157-W164 HydrophobicContact CG-CH2 4.44Å; K157-W164 HydrophobicContact CG-CZ2 4.08Å; K157-W164 HydrophobicContact CG-CZ3 4.33Å; K161-W164 WeakPolarHBondContact O-CB 3.34Å; K161-W164 PolarHBondContact O-N 3.34Å; G162-W164 PolarHBondContact O-N 3.08Å
165	S	92.4	Very high	91.7	Very high	34 Å²	34	66.1 Å²	66.1	24%	0.238	37%	0.374	C	S	.	.	S	Bend	trans	-70.7	160.6	171.6	65	0	0	0	0	112.1	W77 K160 G162	W77-S165 VanDerWaalsContact CZ2-OG 3.3Å; W77-S165 WeakPolarHBondContact CZ2-OG 3.2Å; K160-S165 WeakPolarHBondContact O-CA 3.33Å; K160-S165 WeakPolarHBondContact O-CB 3.39Å; G162-S165 VanDerWaalsContact O-CB 3.3Å; G162-S165 WeakPolarHBondContact O-CB 3.2Å; G162-S165 PolarHBondContact O-N 3.44Å; G162-S165 PolarHBondContact O-OG 3.19Å
166	E	86.9	Confident	91.7	Very high	149 Å²	149	62.8 Å²	62.8	70%	0.696	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	142.7	178.6	-67.2	177.6	-165.8	0	0	111.2	K160	K160-E166 IonicContact NZ-OE1 2.78Å; K160-E166 PolarHBondContact NZ-OE1 3.3Å
167	G	81.4	Confident	91.7	Very high	62 Å²	62	65.6 Å²	65.6	64%	0.639	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.5	11.3	175.4	0	0	0	0	0	116.4	G169	G167-G169 PolarHBondContact O-N 3.47Å
168	G	78.3	Confident	91.5	Very high	53 Å²	53	63.9 Å²	63.9	55%	0.546	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	3.2	166.3	0	0	0	0	0	116.3	T170	G168-T170 PolarHBondContact O-N 2.92Å
169	G	88.2	Confident	91.3	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	15.5	173.6	0	0	0	0	0	115.9	G167 H171 T172	G167-G169 PolarHBondContact O-N 3.47Å; G169-H171 VanDerWaalsContact C-N 3.26Å; G169-H171 PolarHBondContact O-N 2.95Å; G169-T172 VanDerWaalsContact O-CB 3.27Å; G169-T172 WeakPolarHBondContact O-CB 3.49Å; G169-T172 WeakPolarHBondContact O-CG2 3.32Å; G169-T172 PolarHBondContact O-N 3.1Å; G169-T172 PolarHBondContact O-OG1 3.41Å
170	T	89.1	Confident	91.2	Very high	99 Å²	99	60.6 Å²	60.6	61%	0.607	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-61.1	-33.2	-178.2	52.6	0	0	0	0	113.4	G168 T172 I173	G168-T170 PolarHBondContact O-N 2.92Å; T170-T172 PolarHBondContact O-N 2.8Å; T170-T172 VanDerWaalsContact O-N 3.08Å; T170-I173 WeakPolarHBondContact O-CB 3.34Å; T170-I173 PolarHBondContact O-N 2.78Å; T170-I173 VanDerWaalsContact O-N 3.14Å
171	H	90.1	Very high	90.9	Very high	138 Å²	138	64.4 Å²	64.4	64%	0.639	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-63.2	-11.4	174.6	68	-93.3	0	0	0	114.1	G169	G169-H171 VanDerWaalsContact C-N 3.26Å; G169-H171 PolarHBondContact O-N 2.95Å
172	T	92.9	Very high	90.9	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.031	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-88.3	-15.2	179.1	72.4	0	0	0	0	113.1	W77 Q80 G169 T170	W77-T172 HydrophobicContact CD2-CG2 3.81Å; W77-T172 HydrophobicContact CE3-CG2 3.9Å; W77-T172 HydrophobicContact CG-CG2 4.45Å; W77-T172 HydrophobicContact CH2-CG2 3.93Å; W77-T172 HydrophobicContact CZ2-CG2 3.82Å; W77-T172 HydrophobicContact CZ3-CG2 3.97Å; W77-T172 PolarHBondContact N-OG1 3.3Å; Q80-T172 VanDerWaalsContact NE2-CB 3.34Å; Q80-T172 PolarHBondContact NE2-O 3Å; G169-T172 VanDerWaalsContact O-CB 3.27Å; G169-T172 WeakPolarHBondContact O-CB 3.49Å; G169-T172 WeakPolarHBondContact O-CG2 3.32Å; G169-T172 PolarHBondContact O-N 3.1Å; G169-T172 PolarHBondContact O-OG1 3.41Å; T170-T172 PolarHBondContact O-N 2.8Å; T170-T172 VanDerWaalsContact O-N 3.08Å
173	I	94.3	Very high	90.9	Very high	62 Å²	62	65.6 Å²	65.6	32%	0.318	36%	0.358	S	S	.	.	S	Bend	trans	-76.8	123	179.4	-56.7	177.2	0	0	0	108.2	P73 D74 P76 T170	P73-I173 HydrophobicContact CB-CG2 4.15Å; D74-I173 HydrophobicContact CB-CG2 4.19Å; P76-I173 HydrophobicContact CG-CD1 4.29Å; T170-I173 WeakPolarHBondContact O-CB 3.34Å; T170-I173 PolarHBondContact O-N 2.78Å; T170-I173 VanDerWaalsContact O-N 3.14Å
174	R	94.8	Very high	90.9	Very high	23 Å²	23	70.2 Å²	70.2	9%	0.087	37%	0.373	C	S	.	.			trans	-80.1	140.7	-179.9	-60.5	170.7	-68.1	167.9	2.4	110.7	D74 F79 L176 Y216	D74-R174 IonicContact OD1-CZ 3.08Å; D74-R174 IonicContact OD1-NE 3.77Å; D74-R174 IonicContact OD1-NH2 3.65Å; D74-R174 PolarHBondContact OD1-NH2 3.25Å; D74-R174 WeakPolarHBondContact OD2-CB 3.45Å; D74-R174 IonicContact OD2-CZ 3.79Å; D74-R174 PolarHBondContact OD2-N 2.71Å; D74-R174 IonicContact OD2-NE 3.94Å; D74-R174 PolarHBondContact OD2-NE 3.07Å; D74-R174 IonicContact OD2-NH2 3.76Å; D74-R174 PolarHBondContact OD2-NH2 3.04Å; F79-R174 HydrophobicContact CD1-CG 4.14Å; F79-R174 HydrophobicContact CG-CG 4.3Å; R174-L176 HydrophobicContact CB-CG 4.36Å; R174-L176 PolarHBondContact O-N 3.37Å; R174-Y216 HydrophobicContact CB-CD2 3.92Å; R174-Y216 HydrophobicContact CB-CE2 4.31Å; R174-Y216 HydrophobicContact CB-CG 4.07Å; R174-Y216 HydrophobicContact CG-CD1 4.11Å; R174-Y216 HydrophobicContact CG-CD2 3.9Å; R174-Y216 HydrophobicContact CG-CE1 4.06Å; R174-Y216 HydrophobicContact CG-CE2 3.85Å; R174-Y216 HydrophobicContact CG-CG 4.03Å
175	D	93.8	Very high	90.9	Very high	113 Å²	113	71.2 Å²	71.2	60%	0.604	38%	0.384	S	S	*	.			trans	-80.9	85.9	161.3	179.7	34.5	0	0	0	109.2	K177	D175-K177 PolarHBondContact O-N 2.79Å; D175-K177 WeakPolarHBondContact OD2-CE 3.45Å
176	L	94.2	Very high	90.8	Very high	29 Å²	29	71 Å²	71	15%	0.152	38%	0.38	C	S	.	.			trans	-74.9	120.9	-178.4	-88	176	0	0	0	111.5	A59 R174 Y178 L211	A59-L176 HydrophobicContact CB-CD1 3.47Å; A59-L176 VanDerWaalsContact CB-CD1 3.47Å; R174-L176 HydrophobicContact CB-CG 4.36Å; R174-L176 PolarHBondContact O-N 3.37Å; L176-Y178 HydrophobicContact CB-CE1 4.48Å; L176-Y178 HydrophobicContact CB-CE2 4.23Å; L176-Y178 HydrophobicContact CD1-CE1 4.43Å; L176-Y178 WeakPolarHBondContact CD1-OH 3.3Å; L176-L211 HydrophobicContact CD2-CD1 3.55Å
177	K	94.3	Very high	91	Very high	59 Å²	59	64 Å²	64	26%	0.257	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-104.3	105	-179.3	-61.2	167.8	-167.4	162.7	0	109.9	D175 D215 Y216 Y217 L218	D175-K177 PolarHBondContact O-N 2.79Å; D175-K177 WeakPolarHBondContact OD2-CE 3.45Å; K177-D215 PolarHBondContact NZ-O 3.27Å; K177-Y216 PolarHBondContact N-O 2.81Å; K177-Y216 VanDerWaalsContact N-O 3.16Å; K177-Y217 HydrophobicContact CB-CD1 3.43Å; K177-Y217 VanDerWaalsContact CB-CD1 3.43Å; K177-Y217 HydrophobicContact CB-CE1 3.61Å; K177-Y217 HydrophobicContact CB-CG 4.09Å; K177-Y217 HydrophobicContact CD-CD1 3.94Å; K177-Y217 HydrophobicContact CD-CD2 4.23Å; K177-Y217 HydrophobicContact CD-CE1 3.42Å; K177-Y217 VanDerWaalsContact CD-CE1 3.42Å; K177-Y217 HydrophobicContact CD-CE2 3.75Å; K177-Y217 HydrophobicContact CD-CG 4.31Å; K177-Y217 HydrophobicContact CG-CD1 4.33Å; K177-Y217 HydrophobicContact CG-CE1 4.11Å; K177-L218 PolarHBondContact O-N 3.04Å
178	Y	91.7	Very high	91.5	Very high	32 Å²	32	65.4 Å²	65.4	13%	0.125	34%	0.34	C	S	.	.			trans	-84.7	-14.7	-178.2	-60.3	-69.5	0	0	0	114.5	R61 D71 L176 L218	R61-Y178 HydrophobicContact CB-CE1 4.13Å; R61-Y178 HydrophobicContact CB-CE2 4.34Å; R61-Y178 HydrophobicContact CG-CD1 4.4Å; R61-Y178 HydrophobicContact CG-CD2 4.22Å; R61-Y178 HydrophobicContact CG-CE1 4.38Å; R61-Y178 HydrophobicContact CG-CE2 4.2Å; R61-Y178 HydrophobicContact CG-CG 4.32Å; D71-Y178 HydrophobicContact CB-CE2 4.29Å; D71-Y178 WeakPolarHBondContact OD2-CD2 3.31Å; D71-Y178 WeakPolarHBondContact OD2-CE2 3.34Å; L176-Y178 HydrophobicContact CB-CE1 4.48Å; L176-Y178 HydrophobicContact CB-CE2 4.23Å; L176-Y178 HydrophobicContact CD1-CE1 4.43Å; L176-Y178 WeakPolarHBondContact CD1-OH 3.3Å; Y178-L218 HydrophobicContact CD1-CB 4.2Å; Y178-L218 HydrophobicContact CD1-CD2 3.86Å; Y178-L218 HydrophobicContact CE1-CD2 3.77Å
179	T	90.5	Very high	92.2	Very high	83 Å²	83	65.9 Å²	65.9	51%	0.509	34%	0.335	S	S	.	.			trans	-134	136.6	-177.5	-56.5	0	0	0	0	108.7
180	I	92.4	Very high	92.3	Very high	9 Å²	9	68.1 Å²	68.1	5%	0.046	35%	0.346	C	S	.	.			trans	-100.8	125.3	172.4	-57.5	160.9	0	0	0	107.7	P183 I186 Y217 V219 Q271 I273	I180-P183 HydrophobicContact CB-CG 4.12Å; I180-P183 HydrophobicContact CG2-CG 4.26Å; I180-I186 HydrophobicContact CD1-CG2 4.24Å; I180-I186 HydrophobicContact CG2-CG2 4.1Å; I180-Y217 HydrophobicContact CG1-CD1 3.69Å; I180-Y217 HydrophobicContact CG1-CE1 4.08Å; I180-V219 HydrophobicContact CD1-CG1 3.5Å; I180-V219 VanDerWaalsContact CD1-CG1 3.5Å; I180-V219 HydrophobicContact CG1-CG1 4.27Å; I180-Q271 PolarHBondContact O-NE2 3.46Å; I180-I273 HydrophobicContact CD1-CD1 4.07Å
181	E	90.3	Very high	92.3	Very high	196 Å²	196	69.7 Å²	69.7	92%	0.916	35%	0.347	S	S	*	.	S	Bend	trans	-61.8	-47.1	178.8	-66.8	-176.3	171.8	0	0	112
182	N	92.4	Very high	92.3	Very high	86 Å²	86	67.1 Å²	67.1	46%	0.46	34%	0.335	S	S	.	.			trans	-127.8	86	176.7	-167.6	-24.1	0	0	0	111.3	R184 N185 I186	N182-R184 PolarHBondContact O-N 2.71Å; N182-R184 VanDerWaalsContact O-N 3.17Å; N182-R184 PolarHBondContact OD1-N 3.01Å; N182-N185 HydrophobicContact CB-CB 3.97Å; N182-N185 PolarHBondContact O-N 3.38Å; N182-N185 PolarHBondContact OD1-N 2.83Å; N182-N185 VanDerWaalsContact OD1-N 3.1Å; N182-I186 PolarHBondContact O-N 2.83Å
183	P	93.6	Very high	92.4	Very high	15 Å²	15	73.9 Å²	73.9	10%	0.097	36%	0.364	C	S	.	.	H	α-helix	trans	-57.5	-27.5	178.8	-25.4	34.1	0	0	0	113.8	I180 I186 V187 C268 N270	I180-P183 HydrophobicContact CB-CG 4.12Å; I180-P183 HydrophobicContact CG2-CG 4.26Å; P183-I186 WeakPolarHBondContact O-CG2 3.41Å; P183-V187 VanDerWaalsContact O-CG2 3.3Å; P183-V187 WeakPolarHBondContact O-CG2 3.31Å; P183-V187 PolarHBondContact O-N 3.48Å; P183-C268 HydrophobicContact CB-CB 4.14Å; P183-N270 WeakPolarHBondContact CB-O 3.43Å; P183-N270 VanDerWaalsContact CG-O 3.28Å; P183-N270 WeakPolarHBondContact CG-O 3.4Å
184	R	93.2	Very high	92.5	Very high	152 Å²	152	73.9 Å²	73.9	57%	0.574	37%	0.368	S	S	*	.	H	α-helix	trans	-72.7	-43.2	178.5	-175	155.9	-71.9	171.5	-2.2	111.4	N182 I186 V187 D188	N182-R184 PolarHBondContact O-N 2.71Å; N182-R184 VanDerWaalsContact O-N 3.17Å; N182-R184 PolarHBondContact OD1-N 3.01Å; R184-I186 PolarHBondContact O-N 3.13Å; R184-V187 PolarHBondContact O-N 3.16Å; R184-D188 VanDerWaalsContact CG-OD2 3.27Å; R184-D188 WeakPolarHBondContact CG-OD2 3.29Å; R184-D188 WeakPolarHBondContact O-CB 3.4Å; R184-D188 VanDerWaalsContact O-CG 3.24Å; R184-D188 PolarHBondContact O-N 3.46Å
185	N	93	Very high	92.6	Very high	96 Å²	96	74.1 Å²	74.1	51%	0.513	37%	0.371	S	S	.	.	H	α-helix	trans	-60.4	-42.4	177.9	-170.8	1.9	0	0	0	112.5	N182 V187 D188 S189	N182-N185 HydrophobicContact CB-CB 3.97Å; N182-N185 PolarHBondContact O-N 3.38Å; N182-N185 PolarHBondContact OD1-N 2.83Å; N182-N185 VanDerWaalsContact OD1-N 3.1Å; N185-V187 VanDerWaalsContact C-N 3.34Å; N185-V187 PolarHBondContact O-N 3.35Å; N185-D188 PolarHBondContact O-N 3.01Å; N185-S189 WeakPolarHBondContact O-CB 3.18Å; N185-S189 PolarHBondContact O-N 2.76Å; N185-S189 PolarHBondContact O-OG 2.8Å
186	I	90.6	Very high	92.9	Very high	30 Å²	30	73 Å²	73	15%	0.154	37%	0.365	C	S	.	.	H	α-helix	trans	-65.1	-37.5	177.7	-167	170.8	0	0	0	112.2	I180 N182 P183 R184 S189 L190 Y217	I180-I186 HydrophobicContact CD1-CG2 4.24Å; I180-I186 HydrophobicContact CG2-CG2 4.1Å; N182-I186 PolarHBondContact O-N 2.83Å; P183-I186 WeakPolarHBondContact O-CG2 3.41Å; R184-I186 PolarHBondContact O-N 3.13Å; I186-S189 PolarHBondContact O-OG 3.43Å; I186-L190 HydrophobicContact CG1-CD1 4.32Å; I186-L190 WeakPolarHBondContact O-CD1 3.5Å; I186-L190 WeakPolarHBondContact O-CG 3.45Å; I186-L190 PolarHBondContact O-N 3.35Å; I186-Y217 HydrophobicContact CD1-CD2 4.31Å; I186-Y217 HydrophobicContact CD1-CE2 4.43Å
187	V	92.8	Very high	93	Very high	2 Å²	2	71.7 Å²	71.7	1%	0.012	36%	0.358	C	S	.	.	H	α-helix	trans	-66.6	-49.1	175.9	172.3	0	0	0	0	110.6	P183 R184 N185 L190 L265 C268 I273	P183-V187 VanDerWaalsContact O-CG2 3.3Å; P183-V187 WeakPolarHBondContact O-CG2 3.31Å; P183-V187 PolarHBondContact O-N 3.48Å; R184-V187 PolarHBondContact O-N 3.16Å; N185-V187 VanDerWaalsContact C-N 3.34Å; N185-V187 PolarHBondContact O-N 3.35Å; V187-L190 PolarHBondContact O-N 3.18Å; V187-L265 HydrophobicContact CG2-CB 4.1Å; V187-C268 HydrophobicContact CG2-CB 4.2Å; V187-I273 HydrophobicContact CG2-CG2 4.43Å
188	D	91.8	Very high	93.2	Very high	91 Å²	91	69 Å²	69	49%	0.487	35%	0.347	S	S	.	.	H	α-helix	trans	-67.1	-42.3	-175.5	-66.1	-22.1	0	0	0	111.7	R184 N185 L190 H191	R184-D188 VanDerWaalsContact CG-OD2 3.27Å; R184-D188 WeakPolarHBondContact CG-OD2 3.29Å; R184-D188 WeakPolarHBondContact O-CB 3.4Å; R184-D188 VanDerWaalsContact O-CG 3.24Å; R184-D188 PolarHBondContact O-N 3.46Å; N185-D188 PolarHBondContact O-N 3.01Å; D188-L190 VanDerWaalsContact C-N 3.26Å; D188-L190 PolarHBondContact O-N 3.26Å; D188-H191 PolarHBondContact O-N 3.45Å; D188-H191 VanDerWaalsContact O-N 3.09Å
189	S	92.1	Very high	93.5	Very high	64 Å²	64	67.5 Å²	67.5	45%	0.448	34%	0.341	S	S	.	.	H	α-helix	trans	-64.8	-27	-179.4	58.8	0	0	0	0	113.8	N185 I186 H191	N185-S189 WeakPolarHBondContact O-CB 3.18Å; N185-S189 PolarHBondContact O-N 2.76Å; N185-S189 PolarHBondContact O-OG 2.8Å; I186-S189 PolarHBondContact O-OG 3.43Å; S189-H191 VanDerWaalsContact C-N 3.3Å; S189-H191 PolarHBondContact O-CE1 3.49Å; S189-H191 PolarHBondContact O-N 3.31Å; S189-H191 PolarHBondContact O-ND1 2.91Å
190	L	90.5	Very high	93.8	Very high	46 Å²	46	65.5 Å²	65.5	24%	0.241	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.7	176.8	-72	170.4	0	0	0	113.2	I186 V187 D188 Q192 K193 I195 L265	I186-L190 HydrophobicContact CG1-CD1 4.32Å; I186-L190 WeakPolarHBondContact O-CD1 3.5Å; I186-L190 WeakPolarHBondContact O-CG 3.45Å; I186-L190 PolarHBondContact O-N 3.35Å; V187-L190 PolarHBondContact O-N 3.18Å; D188-L190 VanDerWaalsContact C-N 3.26Å; D188-L190 PolarHBondContact O-N 3.26Å; L190-Q192 PolarHBondContact O-N 3.38Å; L190-Q192 VanDerWaalsContact O-N 3.16Å; L190-K193 VanDerWaalsContact O-CB 3.27Å; L190-K193 WeakPolarHBondContact O-CB 3.38Å; L190-K193 WeakPolarHBondContact O-CG 3.31Å; L190-K193 PolarHBondContact O-N 2.95Å; L190-I195 HydrophobicContact CD1-CD1 4.1Å; L190-I195 HydrophobicContact CD2-CD1 4.45Å; L190-L265 HydrophobicContact CD1-CD1 3.52Å; L190-L265 HydrophobicContact CD1-CG 4.13Å
191	H	89.8	Confident	94	Very high	132 Å²	132	69.5 Å²	69.5	61%	0.611	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	42	177.7	-58.3	82.5	0	0	0	112.9	D188 S189 K193	D188-H191 PolarHBondContact O-N 3.45Å; D188-H191 VanDerWaalsContact O-N 3.09Å; S189-H191 VanDerWaalsContact C-N 3.3Å; S189-H191 PolarHBondContact O-CE1 3.49Å; S189-H191 PolarHBondContact O-N 3.31Å; S189-H191 PolarHBondContact O-ND1 2.91Å; H191-K193 PolarHBondContact O-N 3.23Å
192	Q	90.4	Very high	94.4	Very high	85 Å²	85	60.2 Å²	60.2	40%	0.397	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	23.5	-177.2	-60	76	44	0	0	114.4	L190 I264 T305	L190-Q192 PolarHBondContact O-N 3.38Å; L190-Q192 VanDerWaalsContact O-N 3.16Å; Q192-I264 HydrophobicContact CB-CG2 4.02Å; Q192-I264 WeakPolarHBondContact O-CG2 3.28Å; Q192-T305 HydrophobicContact CG-CG2 4.28Å
193	K	94.9	Very high	94.5	Very high	146 Å²	146	63.4 Å²	63.4	64%	0.635	31%	0.306	S	S	*	.			trans	-75.4	139.9	172.1	-67.2	179.3	-179.7	176.6	0	110.1	L190 H191 I195	L190-K193 VanDerWaalsContact O-CB 3.27Å; L190-K193 WeakPolarHBondContact O-CB 3.38Å; L190-K193 WeakPolarHBondContact O-CG 3.31Å; L190-K193 PolarHBondContact O-N 2.95Å; H191-K193 PolarHBondContact O-N 3.23Å; K193-I195 PolarHBondContact O-N 2.86Å
194	P	96.5	Very high	94.6	Very high	63 Å²	63	63.1 Å²	63.1	41%	0.409	30%	0.304	S	S	.	.			trans	-61.1	128.5	176.1	-18.9	29.1	0	0	0	111.6	Q262 I263 I264 L278	P194-Q262 HydrophobicContact CB-CB 3.84Å; P194-Q262 HydrophobicContact CB-CG 4.47Å; P194-I263 WeakPolarHBondContact CA-O 3.1Å; P194-I264 HydrophobicContact CB-CG1 4.2Å; P194-I264 HydrophobicContact CG-CD1 4.29Å; P194-I264 HydrophobicContact CG-CG1 3.94Å; P194-L278 HydrophobicContact CG-CD1 4.38Å
195	I	96.9	Very high	94.7	Very high	27 Å²	27	55.9 Å²	55.9	14%	0.138	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.8	173.9	-169.9	167.3	0	0	0	110.2	L190 K193 L212 L213 Q262 I263 L265	L190-I195 HydrophobicContact CD1-CD1 4.1Å; L190-I195 HydrophobicContact CD2-CD1 4.45Å; K193-I195 PolarHBondContact O-N 2.86Å; I195-L212 HydrophobicContact CD1-CB 4.32Å; I195-L212 HydrophobicContact CG2-CD2 4.14Å; I195-L213 WeakPolarHBondContact CD1-O 3.47Å; I195-L213 VanDerWaalsContact CG1-O 3.23Å; I195-L213 WeakPolarHBondContact CG1-O 3.46Å; I195-Q262 CarbonylContact O-C 3.52Å; I195-Q262 VanDerWaalsContact O-CA 3.28Å; I195-Q262 WeakPolarHBondContact O-CA 3.3Å; I195-I263 HydrophobicContact CG2-CB 4.41Å; I195-I263 WeakPolarHBondContact CG2-O 3.15Å; I195-I263 PolarHBondContact N-O 3.17Å; I195-I263 PolarHBondContact O-N 2.83Å; I195-L265 HydrophobicContact CG2-CD2 4.11Å; I195-L265 HydrophobicContact CG2-CG 4.24Å
196	N	98.1	Very high	94.9	Very high	91 Å²	91	51.5 Å²	51.5	49%	0.487	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	135.9	175.9	-66.3	-30.4	0	0	0	109.9	L213 Q262	N196-L213 HydrophobicContact CB-CB 4.27Å; N196-L213 HydrophobicContact CB-CD1 4.45Å; N196-L213 WeakPolarHBondContact O-CB 3.25Å; N196-L213 PolarHBondContact O-N 2.86Å; N196-Q262 WeakPolarHBondContact OD1-CG 3.5Å; N196-Q262 PolarHBondContact OD1-NE2 2.85Å
197	A	98.1	Very high	95.3	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	163.3	178.6	0	0	0	0	0	112	A210 L211 L212 V261 I263	A197-A210 HydrophobicContact CB-CB 4.42Å; A197-L211 CarbonylContact C-O 3.59Å; A197-L211 WeakPolarHBondContact CA-O 3.49Å; A197-L211 WeakPolarHBondContact CB-O 3.47Å; A197-L212 HydrophobicContact CB-CD2 3.9Å; A197-V261 HydrophobicContact CB-CG2 4.18Å; A197-V261 PolarHBondContact N-O 3.26Å; A197-V261 WeakPolarHBondContact O-CG2 3.45Å; A197-V261 PolarHBondContact O-N 3.4Å; A197-V261 VanDerWaalsContact O-O 3.14Å; A197-I263 HydrophobicContact CB-CD1 3.61Å; A197-I263 HydrophobicContact CB-CG1 3.89Å
198	I	98.3	Very high	95.5	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.7	172.4	-56.4	169.5	0	0	0	107.9	F79 E83 E200 A210 L211 L213	F79-I198 HydrophobicContact CZ-CD1 4.46Å; E83-I198 WeakPolarHBondContact OE2-CD1 3.32Å; I198-E200 PolarHBondContact O-N 3.21Å; I198-A210 CarbonylContact O-C 3.58Å; I198-A210 WeakPolarHBondContact O-CA 3.43Å; I198-L211 HydrophobicContact CB-CB 4.46Å; I198-L211 PolarHBondContact N-O 2.97Å; I198-L211 PolarHBondContact O-N 2.84Å; I198-L213 HydrophobicContact CD1-CD1 4.45Å; I198-L213 HydrophobicContact CG1-CD1 4.42Å
199	I	98.3	Very high	95.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	110.6	175.4	-57.4	-50.2	0	0	0	109.1	V202 V208 A210 L256 Q258 R259 V261 I263 I277	I199-V202 HydrophobicContact CG2-CG2 4.16Å; I199-V208 HydrophobicContact CD1-CG2 4Å; I199-V208 HydrophobicContact CG2-CB 4.1Å; I199-V208 HydrophobicContact CG2-CG1 4.29Å; I199-A210 HydrophobicContact CD1-CB 3.95Å; I199-L256 WeakPolarHBondContact CB-O 3.35Å; I199-L256 HydrophobicContact CG1-CB 4.22Å; I199-Q258 WeakPolarHBondContact O-CA 3.32Å; I199-Q258 PolarHBondContact O-N 2.94Å; I199-R259 PolarHBondContact N-O 3.24Å; I199-V261 HydrophobicContact CD1-CG2 3.69Å; I199-V261 HydrophobicContact CG1-CG1 4.15Å; I199-V261 HydrophobicContact CG1-CG2 3.83Å; I199-I263 HydrophobicContact CD1-CD1 4.15Å; I199-I277 HydrophobicContact CD1-CD1 4.12Å
200	E	96.8	Very high	96.1	Very high	41 Å²	41	45.8 Å²	45.8	19%	0.192	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-35.4	-174.5	-76.9	-63.4	158.7	0	0	112.7	R82 I198 R209 L211 L218	R82-E200 IonicContact CZ-OE1 2.9Å; R82-E200 IonicContact CZ-OE2 3.49Å; R82-E200 IonicContact NH1-OE1 2.61Å; R82-E200 PolarHBondContact NH1-OE1 3.34Å; R82-E200 IonicContact NH1-OE2 3.7Å; R82-E200 VanDerWaalsContact NH2-CD 3.29Å; R82-E200 IonicContact NH2-OE1 3.58Å; R82-E200 PolarHBondContact NH2-OE1 3.18Å; R82-E200 IonicContact NH2-OE2 2.68Å; R82-E200 PolarHBondContact NH2-OE2 2.84Å; I198-E200 PolarHBondContact O-N 3.21Å; E200-R209 PolarHBondContact N-O 3.03Å; E200-L211 HydrophobicContact CG-CB 3.88Å; E200-L218 HydrophobicContact CB-CD1 4.04Å; E200-L218 HydrophobicContact CG-CD1 3.82Å
201	H	96.6	Very high	96.4	Very high	94 Å²	94	43.6 Å²	43.6	44%	0.435	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	148.7	-178	179.3	-97.2	0	0	0	110.9	V208 R209	H201-V208 CarbonylContact O-C 3.57Å; H201-V208 VanDerWaalsContact O-CA 3.3Å; H201-V208 WeakPolarHBondContact O-CA 3.34Å; H201-V208 WeakPolarHBondContact O-CB 3.26Å; H201-R209 HydrophobicContact CB-CB 4.02Å; H201-R209 HydrophobicContact CB-CG 4.22Å; H201-R209 PolarHBondContact N-O 3Å; H201-R209 PolarHBondContact O-N 3.38Å
202	V	97	Very high	96.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	113.9	174.3	-178.9	0	0	0	0	107.5	I199 D204 V208 K249 T252 E253 L257	I199-V202 HydrophobicContact CG2-CG2 4.16Å; V202-D204 WeakPolarHBondContact CG1-O 3.21Å; V202-V208 HydrophobicContact CG1-CG1 4.35Å; V202-V208 HydrophobicContact CG2-CG1 4.13Å; V202-K249 HydrophobicContact CG1-CG 4.14Å; V202-K249 VanDerWaalsContact O-CE 3.24Å; V202-K249 WeakPolarHBondContact O-CE 3.28Å; V202-T252 HydrophobicContact CG1-CG2 3.82Å; V202-T252 HydrophobicContact CG2-CG2 4.12Å; V202-E253 HydrophobicContact CB-CG 3.58Å; V202-E253 HydrophobicContact CG1-CG 3.99Å; V202-E253 HydrophobicContact CG2-CG 3.77Å; V202-L257 HydrophobicContact CG2-CB 4.49Å; V202-L257 HydrophobicContact CG2-CD1 4.47Å
203	R	94.8	Very high	97	Very high	154 Å²	154	35.5 Å²	35.5	58%	0.581	17%	0.167	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76	-52.7	179.1	-176.3	-177.5	-177.3	-179.6	-1.8	110	V207	R203-V207 HydrophobicContact CB-CB 4.28Å; R203-V207 HydrophobicContact CB-CG1 4.24Å; R203-V207 WeakPolarHBondContact CB-O 3.37Å; R203-V207 PolarHBondContact N-O 2.77Å
204	D	95.5	Very high	97	Very high	9 Å²	9	33 Å²	33	5%	0.048	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	-176	174.7	59.5	63.5	0	0	0	109	V202 S206 V207 F231	V202-D204 WeakPolarHBondContact CG1-O 3.21Å; D204-S206 PolarHBondContact O-N 3.09Å; D204-S206 VanDerWaalsContact O-N 3.12Å; D204-S206 PolarHBondContact OD1-N 3.32Å; D204-S206 PolarHBondContact OD1-OG 2.92Å; D204-S206 VanDerWaalsContact OD1-OG 3.06Å; D204-V207 PolarHBondContact N-O 2.86Å; D204-V207 PolarHBondContact O-N 2.9Å; D204-V207 PolarHBondContact OD1-N 3.23Å; D204-F231 HydrophobicContact CB-CD2 4.38Å; D204-F231 HydrophobicContact CB-CE2 4.38Å
205	G	96.4	Very high	96.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.7	-176.8	0	0	0	0	0	114.6	C228 A248 T252 L288	G205-C228 VanDerWaalsContact C-SG 3.58Å; G205-A248 WeakPolarHBondContact CA-O 3.24Å; G205-T252 PolarHBondContact O-OG1 3.01Å; G205-L288 WeakPolarHBondContact O-CD1 3.46Å
206	S	97.2	Very high	96.8	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.028	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-4.4	-173	55.2	0	0	0	0	115	D204 M222 L223 C228	D204-S206 PolarHBondContact O-N 3.09Å; D204-S206 VanDerWaalsContact O-N 3.12Å; D204-S206 PolarHBondContact OD1-N 3.32Å; D204-S206 PolarHBondContact OD1-OG 2.92Å; D204-S206 VanDerWaalsContact OD1-OG 3.06Å; S206-M222 WeakPolarHBondContact O-CA 3.45Å; S206-L223 WeakPolarHBondContact O-CG 3.16Å; S206-L223 PolarHBondContact O-N 3.48Å; S206-C228 WeakPolarHBondContact OG-CB 3.24Å; S206-C228 PolarHBondContact OG-N 3.37Å; S206-C228 VanDerWaalsContact OG-N 3.16Å
207	V	97.8	Very high	96.7	Very high	10 Å²	10	34.8 Å²	34.8	6%	0.061	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.4	-178.5	-176.2	0	0	0	0	110.6	R203 D204 T220 V221 M222	R203-V207 HydrophobicContact CB-CB 4.28Å; R203-V207 HydrophobicContact CB-CG1 4.24Å; R203-V207 WeakPolarHBondContact CB-O 3.37Å; R203-V207 PolarHBondContact N-O 2.77Å; D204-V207 PolarHBondContact N-O 2.86Å; D204-V207 PolarHBondContact O-N 2.9Å; D204-V207 PolarHBondContact OD1-N 3.23Å; V207-T220 HydrophobicContact CG1-CG2 3.74Å; V207-V221 WeakPolarHBondContact CA-O 3.48Å; V207-M222 HydrophobicContact CG2-CB 4.32Å; V207-M222 HydrophobicContact CG2-CE 4.07Å; V207-M222 HydrophobicContact CG2-CG 4.15Å
208	V	98.1	Very high	96.6	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	160.3	-178.3	-56	0	0	0	0	111.7	I199 H201 V202 T220 V221 T252 I277	I199-V208 HydrophobicContact CD1-CG2 4Å; I199-V208 HydrophobicContact CG2-CB 4.1Å; I199-V208 HydrophobicContact CG2-CG1 4.29Å; H201-V208 CarbonylContact O-C 3.57Å; H201-V208 VanDerWaalsContact O-CA 3.3Å; H201-V208 WeakPolarHBondContact O-CA 3.34Å; H201-V208 WeakPolarHBondContact O-CB 3.26Å; V202-V208 HydrophobicContact CG1-CG1 4.35Å; V202-V208 HydrophobicContact CG2-CG1 4.13Å; V208-T220 WeakPolarHBondContact O-CA 3.26Å; V208-V221 HydrophobicContact CG2-CB 3.94Å; V208-V221 PolarHBondContact N-O 2.83Å; V208-V221 PolarHBondContact O-N 2.86Å; V208-T252 HydrophobicContact CG1-CG2 4.18Å; V208-I277 HydrophobicContact CG1-CD1 4.46Å; V208-I277 HydrophobicContact CG2-CD1 3.61Å
209	R	97.9	Very high	96.5	Very high	54 Å²	54	36.2 Å²	36.2	20%	0.204	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.5	163.2	-63.1	-74.7	-70.4	167.3	3.9	107.9	E200 H201 L218 V219 T220	E200-R209 PolarHBondContact N-O 3.03Å; H201-R209 HydrophobicContact CB-CB 4.02Å; H201-R209 HydrophobicContact CB-CG 4.22Å; H201-R209 PolarHBondContact N-O 3Å; H201-R209 PolarHBondContact O-N 3.38Å; R209-L218 PolarHBondContact NH1-O 3.34Å; R209-L218 PolarHBondContact NH2-O 3.34Å; R209-V219 CarbonylContact C-O 3.57Å; R209-V219 VanDerWaalsContact CA-O 3.27Å; R209-V219 WeakPolarHBondContact CA-O 3.26Å; R209-V219 VanDerWaalsContact NH1-C 3.28Å; R209-T220 VanDerWaalsContact CD-OG1 3.26Å; R209-T220 WeakPolarHBondContact CD-OG1 3.49Å; R209-T220 VanDerWaalsContact NH1-N 3.19Å; R209-T220 PolarHBondContact NH1-OG1 2.89Å
210	A	97.9	Very high	96.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.2	-179.1	0	0	0	0	0	110.2	A197 I198 I199 L218 V219 V221 I263	A197-A210 HydrophobicContact CB-CB 4.42Å; I198-A210 CarbonylContact O-C 3.58Å; I198-A210 WeakPolarHBondContact O-CA 3.43Å; I199-A210 HydrophobicContact CD1-CB 3.95Å; A210-L218 WeakPolarHBondContact O-CA 3.47Å; A210-V219 HydrophobicContact CB-CG2 4.3Å; A210-V219 PolarHBondContact N-O 3.31Å; A210-V219 WeakPolarHBondContact O-CG2 3.41Å; A210-V219 PolarHBondContact O-N 2.83Å; A210-V221 HydrophobicContact CB-CG2 3.95Å; A210-I263 HydrophobicContact CB-CD1 3.53Å
211	L	97.9	Very high	96.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	107.4	169.3	-178.3	67.2	0	0	0	108.2	F79 L176 A197 I198 E200 Y216 Y217 L218	F79-L211 HydrophobicContact CE2-CD2 4.2Å; F79-L211 HydrophobicContact CZ-CD2 4.28Å; L176-L211 HydrophobicContact CD2-CD1 3.55Å; A197-L211 CarbonylContact C-O 3.59Å; A197-L211 WeakPolarHBondContact CA-O 3.49Å; A197-L211 WeakPolarHBondContact CB-O 3.47Å; I198-L211 HydrophobicContact CB-CB 4.46Å; I198-L211 PolarHBondContact N-O 2.97Å; I198-L211 PolarHBondContact O-N 2.84Å; E200-L211 HydrophobicContact CG-CB 3.88Å; L211-Y216 HydrophobicContact CD1-CD1 4.26Å; L211-Y216 HydrophobicContact CD2-CD1 4.06Å; L211-Y216 HydrophobicContact CG-CD1 4.25Å; L211-Y217 CarbonylContact C-O 3.55Å; L211-Y217 WeakPolarHBondContact CA-O 3.37Å; L211-L218 HydrophobicContact CB-CD1 4.25Å; L211-L218 HydrophobicContact CD1-CB 4.49Å; L211-L218 HydrophobicContact CD1-CD1 4.48Å
212	L	96.7	Very high	96.6	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.016	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.3	178.9	-53.9	-176	0	0	0	110.4	I195 A197 Y216 Y217 V219 I263 L265	I195-L212 HydrophobicContact CD1-CB 4.32Å; I195-L212 HydrophobicContact CG2-CD2 4.14Å; A197-L212 HydrophobicContact CB-CD2 3.9Å; L212-Y216 VanDerWaalsContact O-CA 3.28Å; L212-Y216 WeakPolarHBondContact O-CA 3.27Å; L212-Y216 PolarHBondContact O-N 2.94Å; L212-Y217 PolarHBondContact N-O 2.97Å; L212-Y217 PolarHBondContact O-N 2.83Å; L212-V219 HydrophobicContact CD1-CG1 3.95Å; L212-V219 HydrophobicContact CD1-CG2 3.93Å; L212-V219 HydrophobicContact CD2-CG2 3.97Å; L212-V219 HydrophobicContact CG-CG1 4.3Å; L212-V219 HydrophobicContact CG-CG2 3.77Å; L212-I263 HydrophobicContact CD2-CD1 4.36Å; L212-L265 HydrophobicContact CD1-CD1 4.18Å
213	L	95.6	Very high	96.6	Very high	44 Å²	44	33.6 Å²	33.6	23%	0.23	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	147.1	178.5	-59.6	178	0	0	0	110.4	I195 N196 I198 Y216	I195-L213 WeakPolarHBondContact CD1-O 3.47Å; I195-L213 VanDerWaalsContact CG1-O 3.23Å; I195-L213 WeakPolarHBondContact CG1-O 3.46Å; N196-L213 HydrophobicContact CB-CB 4.27Å; N196-L213 HydrophobicContact CB-CD1 4.45Å; N196-L213 WeakPolarHBondContact O-CB 3.25Å; N196-L213 PolarHBondContact O-N 2.86Å; I198-L213 HydrophobicContact CD1-CD1 4.45Å; I198-L213 HydrophobicContact CG1-CD1 4.42Å; L213-Y216 HydrophobicContact CD2-CD1 3.72Å; L213-Y216 HydrophobicContact CD2-CE1 3.46Å; L213-Y216 VanDerWaalsContact CD2-CE1 3.46Å
214	P	94.7	Very high	96.7	Very high	93 Å²	93	26.2 Å²	26.2	60%	0.604	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.8	-11.9	6.2	34.1	-35	0	0	0	115	Y216	P214-Y216 VanDerWaalsContact C-N 3.3Å; P214-Y216 WeakPolarHBondContact O-CD2 3.42Å; P214-Y216 WeakPolarHBondContact O-CE2 3.4Å; P214-Y216 PolarHBondContact O-N 2.8Å
215	D	93.5	Very high	96.6	Very high	94 Å²	94	25.8 Å²	25.8	50%	0.503	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	5.9	-164.4	-60.9	-35.8	0	0	0	115.9	K177 Y217	K177-D215 PolarHBondContact NZ-O 3.27Å; D215-Y217 HydrophobicContact CB-CD2 3.77Å; D215-Y217 HydrophobicContact CB-CE2 3.68Å; D215-Y217 PolarHBondContact O-N 3.49Å
216	Y	95.9	Very high	96.6	Very high	69 Å²	69	26 Å²	26	27%	0.271	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	39.1	175	-55.4	-62.3	0	0	0	115.4	F79 R174 K177 L211 L212 L213 P214 L218	F79-Y216 HydrophobicContact CE1-CE1 4.07Å; F79-Y216 HydrophobicContact CZ-CE1 4.26Å; R174-Y216 HydrophobicContact CB-CD2 3.92Å; R174-Y216 HydrophobicContact CB-CE2 4.31Å; R174-Y216 HydrophobicContact CB-CG 4.07Å; R174-Y216 HydrophobicContact CG-CD1 4.11Å; R174-Y216 HydrophobicContact CG-CD2 3.9Å; R174-Y216 HydrophobicContact CG-CE1 4.06Å; R174-Y216 HydrophobicContact CG-CE2 3.85Å; R174-Y216 HydrophobicContact CG-CG 4.03Å; K177-Y216 PolarHBondContact N-O 2.81Å; K177-Y216 VanDerWaalsContact N-O 3.16Å; L211-Y216 HydrophobicContact CD1-CD1 4.26Å; L211-Y216 HydrophobicContact CD2-CD1 4.06Å; L211-Y216 HydrophobicContact CG-CD1 4.25Å; L212-Y216 VanDerWaalsContact O-CA 3.28Å; L212-Y216 WeakPolarHBondContact O-CA 3.27Å; L212-Y216 PolarHBondContact O-N 2.94Å; L213-Y216 HydrophobicContact CD2-CD1 3.72Å; L213-Y216 HydrophobicContact CD2-CE1 3.46Å; L213-Y216 VanDerWaalsContact CD2-CE1 3.46Å; P214-Y216 VanDerWaalsContact C-N 3.3Å; P214-Y216 WeakPolarHBondContact O-CD2 3.42Å; P214-Y216 WeakPolarHBondContact O-CE2 3.4Å; P214-Y216 PolarHBondContact O-N 2.8Å; Y216-L218 PolarHBondContact O-N 2.82Å
217	Y	95.5	Very high	96.4	Very high	55 Å²	55	29.3 Å²	29.3	22%	0.216	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	121.2	168.5	-73.9	-85.6	0	0	0	110.8	K177 I180 I186 L211 L212 D215 V219	K177-Y217 HydrophobicContact CB-CD1 3.43Å; K177-Y217 VanDerWaalsContact CB-CD1 3.43Å; K177-Y217 HydrophobicContact CB-CE1 3.61Å; K177-Y217 HydrophobicContact CB-CG 4.09Å; K177-Y217 HydrophobicContact CD-CD1 3.94Å; K177-Y217 HydrophobicContact CD-CD2 4.23Å; K177-Y217 HydrophobicContact CD-CE1 3.42Å; K177-Y217 VanDerWaalsContact CD-CE1 3.42Å; K177-Y217 HydrophobicContact CD-CE2 3.75Å; K177-Y217 HydrophobicContact CD-CG 4.31Å; K177-Y217 HydrophobicContact CG-CD1 4.33Å; K177-Y217 HydrophobicContact CG-CE1 4.11Å; I180-Y217 HydrophobicContact CG1-CD1 3.69Å; I180-Y217 HydrophobicContact CG1-CE1 4.08Å; I186-Y217 HydrophobicContact CD1-CD2 4.31Å; I186-Y217 HydrophobicContact CD1-CE2 4.43Å; L211-Y217 CarbonylContact C-O 3.55Å; L211-Y217 WeakPolarHBondContact CA-O 3.37Å; L212-Y217 PolarHBondContact N-O 2.97Å; L212-Y217 PolarHBondContact O-N 2.83Å; D215-Y217 HydrophobicContact CB-CD2 3.77Å; D215-Y217 HydrophobicContact CB-CE2 3.68Å; D215-Y217 PolarHBondContact O-N 3.49Å; Y217-V219 PolarHBondContact O-N 3.36Å
218	L	96.1	Very high	96.4	Very high	29 Å²	29	29 Å²	29	15%	0.152	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	97.5	174.2	-171	69.7	0	0	0	110.1	K177 Y178 E200 R209 A210 L211 Y216	K177-L218 PolarHBondContact O-N 3.04Å; Y178-L218 HydrophobicContact CD1-CB 4.2Å; Y178-L218 HydrophobicContact CD1-CD2 3.86Å; Y178-L218 HydrophobicContact CE1-CD2 3.77Å; E200-L218 HydrophobicContact CB-CD1 4.04Å; E200-L218 HydrophobicContact CG-CD1 3.82Å; R209-L218 PolarHBondContact NH1-O 3.34Å; R209-L218 PolarHBondContact NH2-O 3.34Å; A210-L218 WeakPolarHBondContact O-CA 3.47Å; L211-L218 HydrophobicContact CB-CD1 4.25Å; L211-L218 HydrophobicContact CD1-CB 4.49Å; L211-L218 HydrophobicContact CD1-CD1 4.48Å; Y216-L218 PolarHBondContact O-N 2.82Å
219	V	96.3	Very high	96.2	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.03	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	160.1	-170.2	-57.2	0	0	0	0	112.2	I180 R209 A210 L212 Y217 V221 I273	I180-V219 HydrophobicContact CD1-CG1 3.5Å; I180-V219 VanDerWaalsContact CD1-CG1 3.5Å; I180-V219 HydrophobicContact CG1-CG1 4.27Å; R209-V219 CarbonylContact C-O 3.57Å; R209-V219 VanDerWaalsContact CA-O 3.27Å; R209-V219 WeakPolarHBondContact CA-O 3.26Å; R209-V219 VanDerWaalsContact NH1-C 3.28Å; A210-V219 HydrophobicContact CB-CG2 4.3Å; A210-V219 PolarHBondContact N-O 3.31Å; A210-V219 WeakPolarHBondContact O-CG2 3.41Å; A210-V219 PolarHBondContact O-N 2.83Å; L212-V219 HydrophobicContact CD1-CG1 3.95Å; L212-V219 HydrophobicContact CD1-CG2 3.93Å; L212-V219 HydrophobicContact CD2-CG2 3.97Å; L212-V219 HydrophobicContact CG-CG1 4.3Å; L212-V219 HydrophobicContact CG-CG2 3.77Å; Y217-V219 PolarHBondContact O-N 3.36Å; V219-V221 HydrophobicContact CG2-CG2 3.82Å; V219-I273 HydrophobicContact CB-CD1 3.84Å; V219-I273 HydrophobicContact CG1-CD1 3.9Å; V219-I273 HydrophobicContact CG2-CD1 3.96Å
220	T	97.8	Very high	96	Very high	29 Å²	29	28.6 Å²	28.6	18%	0.178	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.1	166.7	-59.6	0	0	0	0	108.4	V207 V208 R209 I272 I273	V207-T220 HydrophobicContact CG1-CG2 3.74Å; V208-T220 WeakPolarHBondContact O-CA 3.26Å; R209-T220 VanDerWaalsContact CD-OG1 3.26Å; R209-T220 WeakPolarHBondContact CD-OG1 3.49Å; R209-T220 VanDerWaalsContact NH1-N 3.19Å; R209-T220 PolarHBondContact NH1-OG1 2.89Å; T220-I272 HydrophobicContact CG2-CG1 4.44Å; T220-I272 HydrophobicContact CG2-CG2 4.46Å; T220-I273 PolarHBondContact O-N 2.74Å
221	V	97.9	Very high	95.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.3	175.2	-174.6	0	0	0	0	108.7	V207 V208 A210 V219 I263 I273	V207-V221 WeakPolarHBondContact CA-O 3.48Å; V208-V221 HydrophobicContact CG2-CB 3.94Å; V208-V221 PolarHBondContact N-O 2.83Å; V208-V221 PolarHBondContact O-N 2.86Å; A210-V221 HydrophobicContact CB-CG2 3.95Å; V219-V221 HydrophobicContact CG2-CG2 3.82Å; V221-I263 HydrophobicContact CG1-CG2 4.16Å; V221-I263 HydrophobicContact CG2-CD1 4.15Å; V221-I273 CarbonylContact C-O 3.52Å; V221-I273 WeakPolarHBondContact CA-O 3.42Å
222	M	98.1	Very high	95.2	Very high	47 Å²	47	36.1 Å²	36.1	23%	0.232	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.6	169.5	176.1	-177.2	-64.8	0	0	108	S206 V207 S224 I272 I273 L274 G275 W299	S206-M222 WeakPolarHBondContact O-CA 3.45Å; V207-M222 HydrophobicContact CG2-CB 4.32Å; V207-M222 HydrophobicContact CG2-CE 4.07Å; V207-M222 HydrophobicContact CG2-CG 4.15Å; M222-S224 PolarHBondContact O-N 3.36Å; M222-I272 HydrophobicContact CB-CG2 3.89Å; M222-I272 HydrophobicContact CE-CG2 4.39Å; M222-I273 PolarHBondContact N-O 2.78Å; M222-L274 HydrophobicContact CB-CD2 4.01Å; M222-L274 HydrophobicContact CG-CD2 4.14Å; M222-L274 WeakPolarHBondContact O-CA 3.43Å; M222-L274 HydrophobicContact SD-CD2 3.96Å; M222-G275 PolarHBondContact O-N 3.24Å; M222-G275 VanDerWaalsContact O-N 3.08Å; M222-W299 HydrophobicContact SD-CH2 4.36Å; M222-W299 HydrophobicContact SD-CZ2 4.38Å
223	L	97.9	Very high	94.7	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	123.5	177	-60.9	-177.5	0	0	0	109.7	S206 V226 G275 I277 I284 L288	S206-L223 WeakPolarHBondContact O-CG 3.16Å; S206-L223 PolarHBondContact O-N 3.48Å; L223-V226 HydrophobicContact CB-CG2 3.62Å; L223-V226 HydrophobicContact CD1-CG2 4.32Å; L223-G275 WeakPolarHBondContact CA-O 3.35Å; L223-I277 HydrophobicContact CD2-CB 4.35Å; L223-I277 HydrophobicContact CD2-CD1 3.69Å; L223-I277 HydrophobicContact CD2-CG1 3.73Å; L223-I284 HydrophobicContact CD1-CG2 3.87Å; L223-I284 HydrophobicContact CD2-CG2 3.98Å; L223-L288 HydrophobicContact CD1-CD1 3.62Å
224	S	95.9	Very high	94.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	152	176.1	49.7	0	0	0	0	111.5	M222 V226 E266 G275 Y304	M222-S224 PolarHBondContact O-N 3.36Å; S224-V226 PolarHBondContact O-N 3.02Å; S224-V226 VanDerWaalsContact O-N 3.1Å; S224-E266 WeakPolarHBondContact CB-OE2 3.18Å; S224-E266 PolarHBondContact OG-OE2 3.26Å; S224-G275 PolarHBondContact N-O 3.23Å; S224-Y304 WeakPolarHBondContact OG-CD2 3.45Å
225	G	93.3	Very high	93.4	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	-10	179.2	0	0	0	0	0	115.7	C296 V297 S300 M301	G225-C296 CarbonylContact O-C 3.59Å; G225-C296 VanDerWaalsContact O-CA 3.28Å; G225-C296 WeakPolarHBondContact O-CA 3.32Å; G225-V297 PolarHBondContact O-N 3.37Å; G225-S300 PolarHBondContact N-O 2.8Å; G225-S300 PolarHBondContact N-OG 2.71Å; G225-M301 VanDerWaalsContact O-CE 3.25Å; G225-M301 WeakPolarHBondContact O-CE 3.07Å
226	V	95.7	Very high	92.7	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	162	-175.8	-54.6	0	0	0	0	114.1	L223 S224 T285 L289 A294 R295 L311	L223-V226 HydrophobicContact CB-CG2 3.62Å; L223-V226 HydrophobicContact CD1-CG2 4.32Å; S224-V226 PolarHBondContact O-N 3.02Å; S224-V226 VanDerWaalsContact O-N 3.1Å; V226-T285 HydrophobicContact CB-CG2 4.21Å; V226-T285 HydrophobicContact CG1-CG2 3.38Å; V226-T285 HydrophobicContact CG2-CG2 3.74Å; V226-L289 HydrophobicContact CB-CD2 4.4Å; V226-L289 HydrophobicContact CG1-CD1 3.56Å; V226-L289 HydrophobicContact CG1-CD2 3.78Å; V226-L289 HydrophobicContact CG1-CG 3.69Å; V226-A294 HydrophobicContact CB-CB 4.25Å; V226-R295 CarbonylContact C-O 3.46Å; V226-R295 VanDerWaalsContact CA-O 3.25Å; V226-R295 WeakPolarHBondContact CA-O 3.36Å; V226-L311 HydrophobicContact CG1-CD1 4.17Å
227	K	94.9	Very high	91.8	Very high	74 Å²	74	46.7 Å²	46.7	32%	0.322	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	130.3	168.5	-177.9	-179.6	178	-166.3	0	110	A294 R295 V297	K227-A294 WeakPolarHBondContact O-CA 3.4Å; K227-R295 PolarHBondContact N-O 2.86Å; K227-R295 PolarHBondContact O-N 3.09Å; K227-V297 HydrophobicContact CB-CG1 3.62Å
228	C	96.3	Very high	91.2	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.014	26%	0.256	C	S	.	.			trans	-90.7	158.6	168.2	-74.5	0	0	0	0	111.6	G205 S206 T230 A248 F293	G205-C228 VanDerWaalsContact C-SG 3.58Å; S206-C228 WeakPolarHBondContact OG-CB 3.24Å; S206-C228 PolarHBondContact OG-N 3.37Å; S206-C228 VanDerWaalsContact OG-N 3.16Å; C228-T230 WeakPolarHBondContact O-CG2 3.24Å; C228-A248 HydrophobicContact CB-CB 4.41Å; C228-F293 PolarHBondContact SG-O 3.1Å
229	P	94.9	Very high	90.8	Very high	12 Å²	12	51.4 Å²	51.4	8%	0.078	27%	0.274	C	S	.	.			trans	-54.5	139	164.6	-22.8	33	0	0	0	111.1	E242 P243 A245 F293 I325	P229-E242 WeakPolarHBondContact CA-OE2 3.46Å; P229-E242 HydrophobicContact CB-CB 3.85Å; P229-P243 VanDerWaalsContact CB-O 3.32Å; P229-P243 WeakPolarHBondContact CB-O 3.34Å; P229-P243 WeakPolarHBondContact CG-O 3.32Å; P229-A245 HydrophobicContact CB-CB 3.93Å; P229-F293 WeakPolarHBondContact CD-O 3.44Å; P229-I325 HydrophobicContact CG-CG2 3.78Å
230	T	93.4	Very high	90.4	Very high	37 Å²	37	54 Å²	54	23%	0.227	29%	0.29	C	S	.	.			trans	-112.1	173.3	-171.1	71.7	0	0	0	0	113.2	C228 E242	C228-T230 WeakPolarHBondContact O-CG2 3.24Å; T230-E242 VanDerWaalsContact N-CD 3.31Å; T230-E242 PolarHBondContact N-OE2 2.69Å; T230-E242 VanDerWaalsContact O-CB 3.29Å; T230-E242 WeakPolarHBondContact O-CB 3.28Å; T230-E242 WeakPolarHBondContact O-CG 3.2Å; T230-E242 PolarHBondContact O-N 3.46Å; T230-E242 PolarHBondContact OG1-OE1 2.77Å
231	F	92.4	Very high	90.1	Very high	45 Å²	45	56.3 Å²	56.3	20%	0.197	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.1	171.3	-63.4	-98.2	0	0	0	108	D204 E239 T240 P241 A245 A246 K249	D204-F231 HydrophobicContact CB-CD2 4.38Å; D204-F231 HydrophobicContact CB-CE2 4.38Å; F231-E239 HydrophobicContact CB-CB 4.32Å; F231-T240 CarbonylContact C-O 3.59Å; F231-P241 HydrophobicContact CD1-CB 3.81Å; F231-P241 HydrophobicContact CE1-CB 3.75Å; F231-A245 HydrophobicContact CE2-CB 4.2Å; F231-A245 HydrophobicContact CZ-CB 4.28Å; F231-A246 HydrophobicContact CZ-CB 4.48Å; F231-K249 HydrophobicContact CE2-CB 4.3Å; F231-K249 HydrophobicContact CE2-CD 3.94Å; F231-K249 HydrophobicContact CZ-CB 4.45Å; F231-K249 HydrophobicContact CZ-CD 3.97Å
232	K	87.4	Confident	89.9	Confident	114 Å²	114	59.8 Å²	59.8	50%	0.496	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.7	177.8	-172.7	-174.4	172	-129.8	0	108.7	E234 E239 T240	K232-E234 IonicContact NZ-OE1 3.05Å; K232-E234 PolarHBondContact NZ-OE1 3.24Å; K232-E234 IonicContact NZ-OE2 3.36Å; K232-E234 PolarHBondContact NZ-OE2 3.07Å; K232-E239 CarbonylContact O-C 3.57Å; K232-E239 WeakPolarHBondContact O-CA 3.45Å; K232-T240 PolarHBondContact N-O 3.47Å; K232-T240 PolarHBondContact O-N 3.18Å; K232-T240 PolarHBondContact O-OG1 2.94Å
233	R	85.1	Confident	89.6	Confident	181 Å²	181	62.5 Å²	62.5	68%	0.683	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.4	178.4	-163.4	171.6	-176.9	-166.3	-1.5	109.6	T238 E239	R233-T238 WeakPolarHBondContact CA-O 3.28Å; R233-E239 HydrophobicContact CB-CG 4.4Å; R233-E239 HydrophobicContact CG-CG 4.21Å
234	E	83.8	Confident	89.5	Confident	72 Å²	72	64.7 Å²	64.7	34%	0.336	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-80.6	165.6	175.8	-61	-62	159.9	0	0	110.7	K232 D236 G237 T238 T240	K232-E234 IonicContact NZ-OE1 3.05Å; K232-E234 PolarHBondContact NZ-OE1 3.24Å; K232-E234 IonicContact NZ-OE2 3.36Å; K232-E234 PolarHBondContact NZ-OE2 3.07Å; E234-D236 WeakPolarHBondContact CB-OD1 3.42Å; E234-D236 PolarHBondContact O-N 3.12Å; E234-G237 PolarHBondContact O-N 2.99Å; E234-T238 PolarHBondContact N-O 3.01Å; E234-T240 HydrophobicContact CG-CG2 4.44Å
235	A	80.1	Confident	89.4	Confident	115 Å²	115	64.7 Å²	64.7	95%	0.95	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.1	-173.2	0	0	0	0	0	113.9	G237	A235-G237 PolarHBondContact O-N 3.01Å
236	D	78.4	Confident	89.4	Confident	122 Å²	122	66.3 Å²	66.3	65%	0.652	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.8	174.8	65.9	-3.3	0	0	0	113.3	E234 T238	E234-D236 WeakPolarHBondContact CB-OD1 3.42Å; E234-D236 PolarHBondContact O-N 3.12Å; D236-T238 WeakPolarHBondContact OD1-CB 3.4Å; D236-T238 WeakPolarHBondContact OD1-CG2 3.01Å; D236-T238 PolarHBondContact OD1-N 2.81Å; D236-T238 PolarHBondContact OD1-OG1 2.81Å; D236-T238 WeakPolarHBondContact OD2-CG2 3.22Å; D236-T238 PolarHBondContact OD2-OG1 2.81Å
237	G	76.1	Confident	89.3	Confident	35 Å²	35	69.5 Å²	69.5	36%	0.361	38%	0.38	S	S	.	.	S	Bend	trans	87.4	-0.4	-179.2	0	0	0	0	0	114.7	E234 A235	E234-G237 PolarHBondContact O-N 2.99Å; A235-G237 PolarHBondContact O-N 3.01Å
238	T	83.6	Confident	89.4	Confident	71 Å²	71	66 Å²	66	44%	0.436	37%	0.365	S	S	.	.			trans	-71.1	144.6	173.6	62.4	0	0	0	0	111.2	R233 E234 D236	R233-T238 WeakPolarHBondContact CA-O 3.28Å; E234-T238 PolarHBondContact N-O 3.01Å; D236-T238 WeakPolarHBondContact OD1-CB 3.4Å; D236-T238 WeakPolarHBondContact OD1-CG2 3.01Å; D236-T238 PolarHBondContact OD1-N 2.81Å; D236-T238 PolarHBondContact OD1-OG1 2.81Å; D236-T238 WeakPolarHBondContact OD2-CG2 3.22Å; D236-T238 PolarHBondContact OD2-OG1 2.81Å
239	E	86.9	Confident	89.4	Confident	111 Å²	111	68.3 Å²	68.3	52%	0.519	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.4	179.3	-72.2	-171	161.7	0	0	110.3	F231 K232 R233	F231-E239 HydrophobicContact CB-CB 4.32Å; K232-E239 CarbonylContact O-C 3.57Å; K232-E239 WeakPolarHBondContact O-CA 3.45Å; R233-E239 HydrophobicContact CB-CG 4.4Å; R233-E239 HydrophobicContact CG-CG 4.21Å
240	T	89.3	Confident	89.4	Confident	61 Å²	61	69.3 Å²	69.3	37%	0.374	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.4	174.9	54.2	0	0	0	0	109.9	F231 K232 E234	F231-T240 CarbonylContact C-O 3.59Å; K232-T240 PolarHBondContact N-O 3.47Å; K232-T240 PolarHBondContact O-N 3.18Å; K232-T240 PolarHBondContact O-OG1 2.94Å; E234-T240 HydrophobicContact CG-CG2 4.44Å
241	P	91.3	Very high	89.5	Confident	76 Å²	76	68.3 Å²	68.3	49%	0.494	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134	-180	27.9	-32.3	0	0	0	111.4	F231 A245	F231-P241 HydrophobicContact CD1-CB 3.81Å; F231-P241 HydrophobicContact CE1-CB 3.75Å; P241-A245 HydrophobicContact CB-CB 4.09Å
242	E	93.1	Very high	89.7	Confident	74 Å²	74	66.3 Å²	66.3	35%	0.346	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-61.8	156.9	161.2	-71.4	170.5	-159	0	0	110.3	P229 T230 F244 A245	P229-E242 WeakPolarHBondContact CA-OE2 3.46Å; P229-E242 HydrophobicContact CB-CB 3.85Å; T230-E242 VanDerWaalsContact N-CD 3.31Å; T230-E242 PolarHBondContact N-OE2 2.69Å; T230-E242 VanDerWaalsContact O-CB 3.29Å; T230-E242 WeakPolarHBondContact O-CB 3.28Å; T230-E242 WeakPolarHBondContact O-CG 3.2Å; T230-E242 PolarHBondContact O-N 3.46Å; T230-E242 PolarHBondContact OG1-OE1 2.77Å; E242-F244 PolarHBondContact O-N 2.92Å; E242-A245 HydrophobicContact CB-CB 4.35Å; E242-A245 WeakPolarHBondContact O-CB 3.36Å; E242-A245 PolarHBondContact O-N 2.96Å
243	P	92.8	Very high	90.1	Very high	103 Å²	103	61.7 Å²	61.7	67%	0.669	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	129.3	175	-27.8	35.5	0	0	0	112.1	P229 A245	P229-P243 VanDerWaalsContact CB-O 3.32Å; P229-P243 WeakPolarHBondContact CB-O 3.34Å; P229-P243 WeakPolarHBondContact CG-O 3.32Å; P243-A245 VanDerWaalsContact C-N 3.26Å; P243-A245 PolarHBondContact O-N 3.23Å
244	F	93.9	Very high	90.6	Very high	49 Å²	49	54.3 Å²	54.3	22%	0.215	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	6.5	-176.9	-52.2	-77.4	0	0	0	116.6	E242 E247 A248 R324 I325 K327	E242-F244 PolarHBondContact O-N 2.92Å; F244-E247 VanDerWaalsContact CA-OE2 3.24Å; F244-E247 WeakPolarHBondContact CA-OE2 3.18Å; F244-A248 VanDerWaalsContact O-CB 3.28Å; F244-A248 WeakPolarHBondContact O-CB 3.07Å; F244-A248 PolarHBondContact O-N 2.73Å; F244-R324 HydrophobicContact CD1-CB 4.04Å; F244-R324 HydrophobicContact CD1-CG 4.31Å; F244-R324 HydrophobicContact CD2-CB 4.36Å; F244-R324 HydrophobicContact CE1-CB 4.04Å; F244-R324 HydrophobicContact CE1-CG 4.24Å; F244-R324 HydrophobicContact CE2-CB 4.36Å; F244-R324 VanDerWaalsContact CE2-O 3.24Å; F244-R324 WeakPolarHBondContact CE2-O 3.23Å; F244-R324 HydrophobicContact CG-CB 4.19Å; F244-R324 HydrophobicContact CZ-CB 4.2Å; F244-I325 HydrophobicContact CB-CG2 4.29Å; F244-I325 HydrophobicContact CD2-CG2 4Å; F244-I325 HydrophobicContact CG-CG2 4.48Å; F244-K327 HydrophobicContact CE2-CD 4.42Å; F244-K327 HydrophobicContact CZ-CD 4.3Å
245	A	94.6	Very high	91.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-43	180	0	0	0	0	0	112.9	P229 F231 P241 E242 P243 A248 K249	P229-A245 HydrophobicContact CB-CB 3.93Å; F231-A245 HydrophobicContact CE2-CB 4.2Å; F231-A245 HydrophobicContact CZ-CB 4.28Å; P241-A245 HydrophobicContact CB-CB 4.09Å; E242-A245 HydrophobicContact CB-CB 4.35Å; E242-A245 WeakPolarHBondContact O-CB 3.36Å; E242-A245 PolarHBondContact O-N 2.96Å; P243-A245 VanDerWaalsContact C-N 3.26Å; P243-A245 PolarHBondContact O-N 3.23Å; A245-A248 PolarHBondContact O-N 3.46Å; A245-K249 WeakPolarHBondContact O-CB 3.38Å; A245-K249 PolarHBondContact O-N 2.98Å
246	A	93.1	Very high	91.9	Very high	34 Å²	34	50.6 Å²	50.6	28%	0.281	28%	0.277	S	S	.	.	H	α-helix	trans	-66.3	-39.6	179.7	0	0	0	0	0	111.9	P42 F231 F250	P42-A246 HydrophobicContact CG-CB 4.4Å; F231-A246 HydrophobicContact CZ-CB 4.48Å; A246-F250 WeakPolarHBondContact O-CB 3.48Å; A246-F250 PolarHBondContact O-N 3.08Å
247	E	94.6	Very high	92.9	Very high	71 Å²	71	44.9 Å²	44.9	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-71.3	-39.4	178.2	-60.2	94.8	136.9	0	0	111.5	F244 F250 F251 F293	F244-E247 VanDerWaalsContact CA-OE2 3.24Å; F244-E247 WeakPolarHBondContact CA-OE2 3.18Å; E247-F250 PolarHBondContact O-N 2.92Å; E247-F251 WeakPolarHBondContact O-CB 3.32Å; E247-F251 PolarHBondContact O-N 3.47Å; E247-F293 HydrophobicContact CB-CD1 4.46Å; E247-F293 HydrophobicContact CB-CE1 3.49Å; E247-F293 VanDerWaalsContact CB-CE1 3.49Å; E247-F293 HydrophobicContact CB-CZ 4.03Å
248	A	96.3	Very high	93.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-44.4	173.2	0	0	0	0	0	111.4	G205 C228 F244 A245 F251 T252 F293	G205-A248 WeakPolarHBondContact CA-O 3.24Å; C228-A248 HydrophobicContact CB-CB 4.41Å; F244-A248 VanDerWaalsContact O-CB 3.28Å; F244-A248 WeakPolarHBondContact O-CB 3.07Å; F244-A248 PolarHBondContact O-N 2.73Å; A245-A248 PolarHBondContact O-N 3.46Å; A248-F251 WeakPolarHBondContact O-CB 3.46Å; A248-F251 PolarHBondContact O-N 3.29Å; A248-T252 PolarHBondContact O-N 3.28Å; A248-T252 PolarHBondContact O-OG1 3.31Å; A248-F293 HydrophobicContact CB-CB 3.88Å; A248-F293 HydrophobicContact CB-CD1 3.78Å; A248-F293 HydrophobicContact CB-CG 4.06Å
249	K	96.4	Very high	94.5	Very high	52 Å²	52	41.7 Å²	41.7	23%	0.226	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-50	173	178	178.1	177.8	165.5	0	111.1	V202 F231 A245 F251 T252 E253	V202-K249 HydrophobicContact CG1-CG 4.14Å; V202-K249 VanDerWaalsContact O-CE 3.24Å; V202-K249 WeakPolarHBondContact O-CE 3.28Å; F231-K249 HydrophobicContact CE2-CB 4.3Å; F231-K249 HydrophobicContact CE2-CD 3.94Å; F231-K249 HydrophobicContact CZ-CB 4.45Å; F231-K249 HydrophobicContact CZ-CD 3.97Å; A245-K249 WeakPolarHBondContact O-CB 3.38Å; A245-K249 PolarHBondContact O-N 2.98Å; K249-F251 VanDerWaalsContact C-N 3.29Å; K249-F251 PolarHBondContact O-N 2.85Å; K249-T252 PolarHBondContact O-N 3.42Å; K249-E253 WeakPolarHBondContact CE-OE1 3.24Å; K249-E253 HydrophobicContact CG-CG 4.3Å; K249-E253 WeakPolarHBondContact O-CG 3.23Å; K249-E253 PolarHBondContact O-N 3.03Å
250	F	95.3	Very high	95	Very high	32 Å²	32	40.1 Å²	40.1	14%	0.14	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-37.2	178.1	175.4	-105	0	0	0	112.4	P38 P42 P43 A246 E247 T252 E253 S254	P38-F250 HydrophobicContact CB-CE1 4.12Å; P38-F250 HydrophobicContact CB-CZ 4.22Å; P38-F250 HydrophobicContact CG-CE1 4.23Å; P38-F250 HydrophobicContact CG-CZ 4.26Å; P42-F250 HydrophobicContact CB-CB 4.46Å; P42-F250 HydrophobicContact CB-CD2 4.43Å; P42-F250 HydrophobicContact CB-CG 4.43Å; P42-F250 HydrophobicContact CG-CB 4.29Å; P43-F250 HydrophobicContact CG-CE2 3.84Å; P43-F250 HydrophobicContact CG-CZ 4.07Å; A246-F250 WeakPolarHBondContact O-CB 3.48Å; A246-F250 PolarHBondContact O-N 3.08Å; E247-F250 PolarHBondContact O-N 2.92Å; F250-T252 VanDerWaalsContact C-N 3.31Å; F250-T252 PolarHBondContact O-N 2.97Å; F250-E253 PolarHBondContact O-N 2.94Å; F250-S254 VanDerWaalsContact O-CB 3.29Å; F250-S254 WeakPolarHBondContact O-CB 3.41Å; F250-S254 PolarHBondContact O-N 3.05Å; F250-S254 PolarHBondContact O-OG 3.22Å
251	F	95.8	Very high	95.4	Very high	17 Å²	17	37.5 Å²	37.5	8%	0.075	20%	0.195	C	C	.	.	H	α-helix	trans	-58.9	-44.2	176.9	-174.5	-90.4	0	0	0	111.7	E247 A248 K249 S254 R255 I284 L287 L288 E291 F293	E247-F251 WeakPolarHBondContact O-CB 3.32Å; E247-F251 PolarHBondContact O-N 3.47Å; A248-F251 WeakPolarHBondContact O-CB 3.46Å; A248-F251 PolarHBondContact O-N 3.29Å; K249-F251 VanDerWaalsContact C-N 3.29Å; K249-F251 PolarHBondContact O-N 2.85Å; F251-S254 PolarHBondContact O-OG 2.91Å; F251-S254 VanDerWaalsContact O-OG 3.13Å; F251-R255 VanDerWaalsContact CD2-NH1 3.31Å; F251-R255 VanDerWaalsContact CE2-NH2 3.33Å; F251-R255 WeakPolarHBondContact O-CD 3.44Å; F251-R255 PolarHBondContact O-NH1 3.33Å; F251-I284 HydrophobicContact CD1-CD1 4.12Å; F251-I284 HydrophobicContact CE1-CD1 3.93Å; F251-L287 HydrophobicContact CE1-CB 3.92Å; F251-L287 HydrophobicContact CZ-CB 4.03Å; F251-L288 HydrophobicContact CD1-CD2 3.56Å; F251-L288 HydrophobicContact CD1-CG 4.14Å; F251-L288 HydrophobicContact CE1-CD2 4.15Å; F251-L288 HydrophobicContact CE1-CG 4.29Å; F251-L288 HydrophobicContact CG-CD2 4.35Å; F251-E291 HydrophobicContact CE2-CB 4.43Å; F251-E291 HydrophobicContact CE2-CG 3.94Å; F251-E291 HydrophobicContact CZ-CG 4.02Å; F251-F293 HydrophobicContact CB-CD2 4.04Å; F251-F293 HydrophobicContact CB-CE2 3.89Å; F251-F293 HydrophobicContact CB-CZ 4.44Å; F251-F293 HydrophobicContact CD1-CD2 4.35Å; F251-F293 AromaticContact CD2-CD2 3.84Å; F251-F293 HydrophobicContact CD2-CD2 3.84Å; F251-F293 AromaticContact CD2-CE2 3.43Å; F251-F293 HydrophobicContact CD2-CE2 3.43Å; F251-F293 VanDerWaalsContact CD2-CE2 3.43Å; F251-F293 HydrophobicContact CD2-CZ 4.44Å; F251-F293 HydrophobicContact CE2-CD2 4.33Å; F251-F293 HydrophobicContact CE2-CE2 4.08Å; F251-F293 AromaticContact CG-CD2 3.82Å; F251-F293 HydrophobicContact CG-CD2 3.82Å; F251-F293 AromaticContact CG-CE2 3.78Å; F251-F293 HydrophobicContact CG-CE2 3.78Å
252	T	97.1	Very high	95.7	Very high	2 Å²	2	38 Å²	38	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-72.5	-44.9	175.9	-60.3	0	0	0	0	111.7	V202 G205 V208 A248 K249 F250 S254 R255 L256 I284	V202-T252 HydrophobicContact CG1-CG2 3.82Å; V202-T252 HydrophobicContact CG2-CG2 4.12Å; G205-T252 PolarHBondContact O-OG1 3.01Å; V208-T252 HydrophobicContact CG1-CG2 4.18Å; A248-T252 PolarHBondContact O-N 3.28Å; A248-T252 PolarHBondContact O-OG1 3.31Å; K249-T252 PolarHBondContact O-N 3.42Å; F250-T252 VanDerWaalsContact C-N 3.31Å; F250-T252 PolarHBondContact O-N 2.97Å; T252-S254 PolarHBondContact O-N 3.46Å; T252-R255 PolarHBondContact O-N 2.77Å; T252-L256 HydrophobicContact CG2-CD1 4.23Å; T252-L256 PolarHBondContact O-N 3.1Å; T252-I284 HydrophobicContact CG2-CG1 4.44Å
253	E	95.8	Very high	96	Very high	17 Å²	17	34.5 Å²	34.5	8%	0.079	17%	0.174	C	C	.	.	H	α-helix	trans	-58.7	-48.3	178.9	-78.1	-173.9	166.1	0	0	112.7	K24 V202 K249 F250 R255 L257	K24-E253 WeakPolarHBondContact CE-OE2 3.29Å; K24-E253 IonicContact NZ-OE1 2.63Å; K24-E253 IonicContact NZ-OE2 3.89Å; K24-E253 PolarHBondContact NZ-OE2 3.07Å; V202-E253 HydrophobicContact CB-CG 3.58Å; V202-E253 HydrophobicContact CG1-CG 3.99Å; V202-E253 HydrophobicContact CG2-CG 3.77Å; K249-E253 WeakPolarHBondContact CE-OE1 3.24Å; K249-E253 HydrophobicContact CG-CG 4.3Å; K249-E253 WeakPolarHBondContact O-CG 3.23Å; K249-E253 PolarHBondContact O-N 3.03Å; F250-E253 PolarHBondContact O-N 2.94Å; E253-R255 PolarHBondContact O-N 3.17Å; E253-R255 VanDerWaalsContact O-N 3.09Å; E253-L257 HydrophobicContact CB-CB 4.38Å; E253-L257 HydrophobicContact CB-CD2 4.5Å; E253-L257 HydrophobicContact CG-CD2 4.43Å; E253-L257 WeakPolarHBondContact O-CB 3.39Å; E253-L257 PolarHBondContact O-N 3.41Å; E253-L257 VanDerWaalsContact O-N 3.15Å
254	S	94.3	Very high	96.2	Very high	27 Å²	27	29.9 Å²	29.9	19%	0.189	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-18	-177.6	57.6	0	0	0	0	113.7	F250 F251 T252	F250-S254 VanDerWaalsContact O-CB 3.29Å; F250-S254 WeakPolarHBondContact O-CB 3.41Å; F250-S254 PolarHBondContact O-N 3.05Å; F250-S254 PolarHBondContact O-OG 3.22Å; F251-S254 PolarHBondContact O-OG 2.91Å; F251-S254 VanDerWaalsContact O-OG 3.13Å; T252-S254 PolarHBondContact O-N 3.46Å
255	R	95	Very high	96.3	Very high	103 Å²	103	27.5 Å²	27.5	39%	0.389	13%	0.133	S	C	.	.	H	α-helix	trans	-104.5	-42.9	-178.9	-72.2	170.5	176.6	67.1	3.9	113.2	F251 T252 E253 R259	F251-R255 VanDerWaalsContact CD2-NH1 3.31Å; F251-R255 VanDerWaalsContact CE2-NH2 3.33Å; F251-R255 WeakPolarHBondContact O-CD 3.44Å; F251-R255 PolarHBondContact O-NH1 3.33Å; T252-R255 PolarHBondContact O-N 2.77Å; E253-R255 PolarHBondContact O-N 3.17Å; E253-R255 VanDerWaalsContact O-N 3.09Å; R255-R259 WeakPolarHBondContact O-CD 3.38Å; R255-R259 WeakPolarHBondContact O-CG 3.37Å; R255-R259 PolarHBondContact O-NE 3.36Å
256	L	97.3	Very high	96.4	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.026	14%	0.137	C	C	.	.	H	α-helix	trans	-115.7	-22.8	-165.8	-62.6	-171.5	0	0	0	115	I199 T252 Q258 R259 V261 I277 H279 I284	I199-L256 WeakPolarHBondContact CB-O 3.35Å; I199-L256 HydrophobicContact CG1-CB 4.22Å; T252-L256 HydrophobicContact CG2-CD1 4.23Å; T252-L256 PolarHBondContact O-N 3.1Å; L256-Q258 PolarHBondContact O-N 3.47Å; L256-Q258 VanDerWaalsContact O-N 3.11Å; L256-R259 WeakPolarHBondContact O-CB 3.16Å; L256-R259 PolarHBondContact O-N 3.38Å; L256-V261 HydrophobicContact CD2-CG1 4.08Å; L256-I277 HydrophobicContact CD1-CB 4.49Å; L256-I277 HydrophobicContact CD1-CD1 4.29Å; L256-I277 HydrophobicContact CD1-CG2 3.98Å; L256-H279 HydrophobicContact CD2-CB 4Å; L256-I284 HydrophobicContact CD1-CB 3.76Å; L256-I284 HydrophobicContact CD1-CD1 4.34Å; L256-I284 HydrophobicContact CD1-CG1 3.74Å; L256-I284 HydrophobicContact CD1-CG2 3.77Å; L256-I284 HydrophobicContact CG-CD1 4.49Å; L256-I284 HydrophobicContact CG-CG1 4.4Å
257	L	97.6	Very high	96.5	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	121.1	-174.5	179.1	62.5	0	0	0	111.4	K24 M25 V202 E253 R259	K24-L257 HydrophobicContact CD-CD2 4.47Å; K24-L257 HydrophobicContact CG-CD2 3.91Å; M25-L257 HydrophobicContact CB-CD2 4.06Å; M25-L257 HydrophobicContact CB-CG 4.45Å; M25-L257 HydrophobicContact CE-CD2 3.7Å; V202-L257 HydrophobicContact CG2-CB 4.49Å; V202-L257 HydrophobicContact CG2-CD1 4.47Å; E253-L257 HydrophobicContact CB-CB 4.38Å; E253-L257 HydrophobicContact CB-CD2 4.5Å; E253-L257 HydrophobicContact CG-CD2 4.43Å; E253-L257 WeakPolarHBondContact O-CB 3.39Å; E253-L257 PolarHBondContact O-N 3.41Å; E253-L257 VanDerWaalsContact O-N 3.15Å; L257-R259 WeakPolarHBondContact O-CD 3.35Å; L257-R259 PolarHBondContact O-N 3.34Å; L257-R259 PolarHBondContact O-NH1 2.85Å
258	Q	97.2	Very high	96.5	Very high	5 Å²	5	25.4 Å²	25.4	2%	0.023	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	24.5	-176.2	-61.5	-170.7	-6.8	0	0	115.2	M25 V26 R86 I90 I199 L256	M25-Q258 HydrophobicContact CB-CG 4.45Å; V26-Q258 PolarHBondContact O-NE2 2.91Å; R86-Q258 WeakPolarHBondContact CD-O 3.48Å; R86-Q258 HydrophobicContact CG-CB 3.9Å; R86-Q258 VanDerWaalsContact CG-O 3.26Å; R86-Q258 WeakPolarHBondContact CG-O 3.33Å; R86-Q258 PolarHBondContact NH1-O 2.85Å; I90-Q258 HydrophobicContact CD1-CB 3.96Å; I90-Q258 HydrophobicContact CG1-CB 4.21Å; I199-Q258 WeakPolarHBondContact O-CA 3.32Å; I199-Q258 PolarHBondContact O-N 2.94Å; L256-Q258 PolarHBondContact O-N 3.47Å; L256-Q258 VanDerWaalsContact O-N 3.11Å
259	R	96.9	Very high	96.2	Very high	35 Å²	35	31.1 Å²	31.1	13%	0.132	15%	0.149	C	C	.	.			trans	-90.7	151.2	169.1	-76.9	66.3	172.4	172.7	4.2	109.8	I90 G91 I199 R255 L256 L257	I90-R259 HydrophobicContact CG2-CG 4.35Å; I90-R259 VanDerWaalsContact CG2-NE 3.25Å; G91-R259 VanDerWaalsContact CA-NH2 3.33Å; I199-R259 PolarHBondContact N-O 3.24Å; R255-R259 WeakPolarHBondContact O-CD 3.38Å; R255-R259 WeakPolarHBondContact O-CG 3.37Å; R255-R259 PolarHBondContact O-NE 3.36Å; L256-R259 WeakPolarHBondContact O-CB 3.16Å; L256-R259 PolarHBondContact O-N 3.38Å; L257-R259 WeakPolarHBondContact O-CD 3.35Å; L257-R259 PolarHBondContact O-N 3.34Å; L257-R259 PolarHBondContact O-NH1 2.85Å
260	D	97.2	Very high	96	Very high	77 Å²	77	34.4 Å²	34.4	41%	0.412	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.8	165.9	-58.2	-82.7	0	0	0	108.5	R86	R86-D260 IonicContact CZ-OD1 3.33Å; R86-D260 IonicContact CZ-OD2 2.85Å; R86-D260 VanDerWaalsContact CZ-OD2 3.28Å; R86-D260 IonicContact NH1-OD1 2.56Å; R86-D260 IonicContact NH1-OD2 2.6Å; R86-D260 PolarHBondContact NH1-OD2 2.9Å; R86-D260 IonicContact NH2-OD1 2.85Å; R86-D260 PolarHBondContact NH2-OD1 3.21Å; R86-D260 IonicContact NH2-OD2 3Å; R86-D260 PolarHBondContact NH2-OD2 2.94Å
261	V	98.1	Very high	95.9	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	165.7	179.7	-63	0	0	0	0	109.5	A197 I199 L256 I263 I277 L278 H279	A197-V261 HydrophobicContact CB-CG2 4.18Å; A197-V261 PolarHBondContact N-O 3.26Å; A197-V261 WeakPolarHBondContact O-CG2 3.45Å; A197-V261 PolarHBondContact O-N 3.4Å; A197-V261 VanDerWaalsContact O-O 3.14Å; I199-V261 HydrophobicContact CD1-CG2 3.69Å; I199-V261 HydrophobicContact CG1-CG1 4.15Å; I199-V261 HydrophobicContact CG1-CG2 3.83Å; L256-V261 HydrophobicContact CD2-CG1 4.08Å; V261-I263 HydrophobicContact CG2-CD1 4.25Å; V261-I263 HydrophobicContact CG2-CG1 3.94Å; V261-I277 HydrophobicContact CB-CG2 3.75Å; V261-I277 HydrophobicContact CG1-CG2 3.84Å; V261-I277 HydrophobicContact CG2-CG2 3.89Å; V261-L278 WeakPolarHBondContact CB-O 3.34Å; V261-H279 HydrophobicContact CG1-CB 4.42Å
262	Q	98.2	Very high	95.9	Very high	86 Å²	86	38.4 Å²	38.4	40%	0.402	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.7	161.9	-65.7	-174.9	-33.3	0	0	109	P194 I195 N196 L278	P194-Q262 HydrophobicContact CB-CB 3.84Å; P194-Q262 HydrophobicContact CB-CG 4.47Å; I195-Q262 CarbonylContact O-C 3.52Å; I195-Q262 VanDerWaalsContact O-CA 3.28Å; I195-Q262 WeakPolarHBondContact O-CA 3.3Å; N196-Q262 WeakPolarHBondContact OD1-CG 3.5Å; N196-Q262 PolarHBondContact OD1-NE2 2.85Å; Q262-L278 HydrophobicContact CB-CB 4.28Å; Q262-L278 PolarHBondContact N-O 3.29Å; Q262-L278 WeakPolarHBondContact O-CA 3.13Å; Q262-L278 WeakPolarHBondContact O-CB 3.37Å; Q262-L278 PolarHBondContact O-N 2.93Å
263	I	98.1	Very high	95.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.9	178.5	-49.7	-176.8	0	0	0	108.2	P194 I195 A197 I199 A210 L212 V221 V261 L265 T276 I277	P194-I263 WeakPolarHBondContact CA-O 3.1Å; I195-I263 HydrophobicContact CG2-CB 4.41Å; I195-I263 WeakPolarHBondContact CG2-O 3.15Å; I195-I263 PolarHBondContact N-O 3.17Å; I195-I263 PolarHBondContact O-N 2.83Å; A197-I263 HydrophobicContact CB-CD1 3.61Å; A197-I263 HydrophobicContact CB-CG1 3.89Å; I199-I263 HydrophobicContact CD1-CD1 4.15Å; A210-I263 HydrophobicContact CB-CD1 3.53Å; L212-I263 HydrophobicContact CD2-CD1 4.36Å; V221-I263 HydrophobicContact CG1-CG2 4.16Å; V221-I263 HydrophobicContact CG2-CD1 4.15Å; V261-I263 HydrophobicContact CG2-CD1 4.25Å; V261-I263 HydrophobicContact CG2-CG1 3.94Å; I263-L265 HydrophobicContact CB-CD2 4.16Å; I263-L265 HydrophobicContact CG2-CD2 3.7Å; I263-T276 CarbonylContact C-O 3.54Å; I263-T276 WeakPolarHBondContact CA-O 3.31Å; I263-I277 HydrophobicContact CD1-CG1 4.48Å; I263-I277 HydrophobicContact CG1-CG1 4.35Å; I263-I277 HydrophobicContact CG2-CG1 4.48Å
264	I	97.6	Very high	96	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.3	167.1	-62.5	174.2	0	0	0	106.9	Q192 P194 E266 G275 T276 L278	Q192-I264 HydrophobicContact CB-CG2 4.02Å; Q192-I264 WeakPolarHBondContact O-CG2 3.28Å; P194-I264 HydrophobicContact CB-CG1 4.2Å; P194-I264 HydrophobicContact CG-CD1 4.29Å; P194-I264 HydrophobicContact CG-CG1 3.94Å; I264-E266 HydrophobicContact CG2-CG 3.81Å; I264-G275 CarbonylContact O-C 3.54Å; I264-G275 WeakPolarHBondContact O-CA 3.23Å; I264-T276 PolarHBondContact N-O 3.06Å; I264-T276 PolarHBondContact O-N 3.2Å; I264-L278 HydrophobicContact CD1-CD1 3.8Å; I264-L278 HydrophobicContact CG1-CD1 4.11Å
265	L	96.8	Very high	96.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	115.1	175.3	-40.4	-172	0	0	0	108	V187 L190 I195 L212 I263 I273	V187-L265 HydrophobicContact CG2-CB 4.1Å; L190-L265 HydrophobicContact CD1-CD1 3.52Å; L190-L265 HydrophobicContact CD1-CG 4.13Å; I195-L265 HydrophobicContact CG2-CD2 4.11Å; I195-L265 HydrophobicContact CG2-CG 4.24Å; L212-L265 HydrophobicContact CD1-CD1 4.18Å; I263-L265 HydrophobicContact CB-CD2 4.16Å; I263-L265 HydrophobicContact CG2-CD2 3.7Å; L265-I273 HydrophobicContact CB-CG2 3.97Å; L265-I273 HydrophobicContact CD1-CD1 4.33Å; L265-I273 HydrophobicContact CD2-CG2 3.95Å; L265-I273 HydrophobicContact CG-CG2 4.36Å
266	E	95.5	Very high	96.2	Very high	15 Å²	15	31.7 Å²	31.7	7%	0.07	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-36.7	-169.6	-65.3	174.8	156.7	0	0	112.3	S224 I264 L274 T276 V303 T305	S224-E266 WeakPolarHBondContact CB-OE2 3.18Å; S224-E266 PolarHBondContact OG-OE2 3.26Å; I264-E266 HydrophobicContact CG2-CG 3.81Å; E266-L274 PolarHBondContact N-O 3.49Å; E266-T276 PolarHBondContact OE1-OG1 2.81Å; E266-V303 HydrophobicContact CB-CB 4.42Å; E266-V303 WeakPolarHBondContact CB-O 3.21Å; E266-T305 HydrophobicContact CG-CG2 3.87Å; E266-T305 WeakPolarHBondContact OE1-CB 3.46Å; E266-T305 PolarHBondContact OE1-N 2.79Å; E266-T305 PolarHBondContact OE1-OG1 2.99Å
267	S	95.4	Very high	96.3	Very high	32 Å²	32	31.5 Å²	31.5	22%	0.224	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	178.9	178.4	-171.6	0	0	0	0	110.2	L274	S267-L274 PolarHBondContact N-O 3.4Å; S267-L274 PolarHBondContact O-N 2.78Å
268	C	94.1	Very high	96.2	Very high	14 Å²	14	33.4 Å²	33.4	10%	0.095	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	149	175.8	65.1	0	0	0	0	112	P183 V187 I272	P183-C268 HydrophobicContact CB-CB 4.14Å; V187-C268 HydrophobicContact CG2-CB 4.2Å; C268-I272 CarbonylContact C-O 3.57Å; C268-I272 VanDerWaalsContact CA-O 3.28Å; C268-I272 WeakPolarHBondContact CA-O 3.5Å
269	H	90.5	Very high	96.1	Very high	120 Å²	120	35.3 Å²	35.3	56%	0.556	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	111.2	167.1	-176.4	74.3	0	0	0	108.9	Q271 I272	H269-Q271 PolarHBondContact O-N 3.26Å; H269-I272 PolarHBondContact N-O 2.85Å; H269-I272 WeakPolarHBondContact O-CB 3.3Å; H269-I272 PolarHBondContact O-N 2.93Å
270	N	91.6	Very high	95.8	Very high	121 Å²	121	39.5 Å²	39.5	65%	0.647	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	-129.3	-168.8	-53.8	-35.9	0	0	0	110.4	P183 I272	P183-N270 WeakPolarHBondContact CB-O 3.43Å; P183-N270 VanDerWaalsContact CG-O 3.28Å; P183-N270 WeakPolarHBondContact CG-O 3.4Å; N270-I272 VanDerWaalsContact C-N 3.29Å; N270-I272 PolarHBondContact O-N 2.84Å
271	Q	93.6	Very high	95.5	Very high	77 Å²	77	42.5 Å²	42.5	36%	0.36	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	2.4	177.5	-63.9	-64.7	-43.4	0	0	113.9	I180 H269	I180-Q271 PolarHBondContact O-NE2 3.46Å; H269-Q271 PolarHBondContact O-N 3.26Å
272	I	96.1	Very high	95.2	Very high	56 Å²	56	43.7 Å²	43.7	29%	0.287	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.6	178.3	-57.9	174.8	0	0	0	108.5	T220 M222 C268 H269 N270	T220-I272 HydrophobicContact CG2-CG1 4.44Å; T220-I272 HydrophobicContact CG2-CG2 4.46Å; M222-I272 HydrophobicContact CB-CG2 3.89Å; M222-I272 HydrophobicContact CE-CG2 4.39Å; C268-I272 CarbonylContact C-O 3.57Å; C268-I272 VanDerWaalsContact CA-O 3.28Å; C268-I272 WeakPolarHBondContact CA-O 3.5Å; H269-I272 PolarHBondContact N-O 2.85Å; H269-I272 WeakPolarHBondContact O-CB 3.3Å; H269-I272 PolarHBondContact O-N 2.93Å; N270-I272 VanDerWaalsContact C-N 3.29Å; N270-I272 PolarHBondContact O-N 2.84Å
273	I	97	Very high	95.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.1	175.1	-59.1	175.1	0	0	0	108.4	I180 V187 V219 T220 V221 M222 L265	I180-I273 HydrophobicContact CD1-CD1 4.07Å; V187-I273 HydrophobicContact CG2-CG2 4.43Å; V219-I273 HydrophobicContact CB-CD1 3.84Å; V219-I273 HydrophobicContact CG1-CD1 3.9Å; V219-I273 HydrophobicContact CG2-CD1 3.96Å; T220-I273 PolarHBondContact O-N 2.74Å; V221-I273 CarbonylContact C-O 3.52Å; V221-I273 WeakPolarHBondContact CA-O 3.42Å; M222-I273 PolarHBondContact N-O 2.78Å; L265-I273 HydrophobicContact CB-CG2 3.97Å; L265-I273 HydrophobicContact CD1-CD1 4.33Å; L265-I273 HydrophobicContact CD2-CG2 3.95Å; L265-I273 HydrophobicContact CG-CG2 4.36Å
274	L	97.3	Very high	95	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128	167.2	-57.7	-177.5	0	0	0	107.8	M222 E266 S267 W299 V303	M222-L274 HydrophobicContact CB-CD2 4.01Å; M222-L274 HydrophobicContact CG-CD2 4.14Å; M222-L274 WeakPolarHBondContact O-CA 3.43Å; M222-L274 HydrophobicContact SD-CD2 3.96Å; E266-L274 PolarHBondContact N-O 3.49Å; S267-L274 PolarHBondContact N-O 3.4Å; S267-L274 PolarHBondContact O-N 2.78Å; L274-W299 HydrophobicContact CD1-CH2 4.1Å; L274-W299 HydrophobicContact CD1-CZ3 3.79Å; L274-W299 HydrophobicContact CD2-CH2 4.08Å; L274-V303 HydrophobicContact CD1-CG2 4.14Å
275	G	96.9	Very high	95	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	170.9	-178	0	0	0	0	0	114.8	M222 L223 S224 I264	M222-G275 PolarHBondContact O-N 3.24Å; M222-G275 VanDerWaalsContact O-N 3.08Å; L223-G275 WeakPolarHBondContact CA-O 3.35Å; S224-G275 PolarHBondContact N-O 3.23Å; I264-G275 CarbonylContact O-C 3.54Å; I264-G275 WeakPolarHBondContact O-CA 3.23Å
276	T	97.8	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.1	179.4	-61.2	0	0	0	0	110	I263 I264 E266 L278 Y304 Q306	I263-T276 CarbonylContact C-O 3.54Å; I263-T276 WeakPolarHBondContact CA-O 3.31Å; I264-T276 PolarHBondContact N-O 3.06Å; I264-T276 PolarHBondContact O-N 3.2Å; E266-T276 PolarHBondContact OE1-OG1 2.81Å; T276-L278 HydrophobicContact CG2-CD2 3.92Å; T276-Y304 HydrophobicContact CG2-CE2 4.06Å; T276-Y304 WeakPolarHBondContact OG1-CD2 3.49Å; T276-Y304 VanDerWaalsContact OG1-CE2 3.24Å; T276-Y304 WeakPolarHBondContact OG1-CE2 3.35Å; T276-Q306 HydrophobicContact CG2-CG 3.9Å
277	I	97.9	Very high	95	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.6	177.6	-52.7	173.2	0	0	0	109.5	I199 V208 L223 L256 V261 I263 I284	I199-I277 HydrophobicContact CD1-CD1 4.12Å; V208-I277 HydrophobicContact CG1-CD1 4.46Å; V208-I277 HydrophobicContact CG2-CD1 3.61Å; L223-I277 HydrophobicContact CD2-CB 4.35Å; L223-I277 HydrophobicContact CD2-CD1 3.69Å; L223-I277 HydrophobicContact CD2-CG1 3.73Å; L256-I277 HydrophobicContact CD1-CB 4.49Å; L256-I277 HydrophobicContact CD1-CD1 4.29Å; L256-I277 HydrophobicContact CD1-CG2 3.98Å; V261-I277 HydrophobicContact CB-CG2 3.75Å; V261-I277 HydrophobicContact CG1-CG2 3.84Å; V261-I277 HydrophobicContact CG2-CG2 3.89Å; I263-I277 HydrophobicContact CD1-CG1 4.48Å; I263-I277 HydrophobicContact CG1-CG1 4.35Å; I263-I277 HydrophobicContact CG2-CG1 4.48Å; I277-I284 HydrophobicContact CB-CG2 3.96Å
278	L	95.8	Very high	95.1	Very high	42 Å²	42	43.5 Å²	43.5	22%	0.22	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.8	179	-55.3	-179.6	0	0	0	110.1	P194 V261 Q262 I264 T276	P194-L278 HydrophobicContact CG-CD1 4.38Å; V261-L278 WeakPolarHBondContact CB-O 3.34Å; Q262-L278 HydrophobicContact CB-CB 4.28Å; Q262-L278 PolarHBondContact N-O 3.29Å; Q262-L278 WeakPolarHBondContact O-CA 3.13Å; Q262-L278 WeakPolarHBondContact O-CB 3.37Å; Q262-L278 PolarHBondContact O-N 2.93Å; I264-L278 HydrophobicContact CD1-CD1 3.8Å; I264-L278 HydrophobicContact CG1-CD1 4.11Å; T276-L278 HydrophobicContact CG2-CD2 3.92Å
279	H	94.9	Very high	95.3	Very high	44 Å²	44	42.9 Å²	42.9	20%	0.204	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.9	173.2	-177	-90.5	0	0	0	108.5	L256 V261 N281 G282	L256-H279 HydrophobicContact CD2-CB 4Å; V261-H279 HydrophobicContact CG1-CB 4.42Å; H279-N281 PolarHBondContact ND1-N 2.73Å; H279-N281 VanDerWaalsContact ND1-N 3.19Å; H279-N281 PolarHBondContact O-N 3.21Å; H279-G282 PolarHBondContact O-N 2.85Å
280	P	91.8	Very high	95.6	Very high	124 Å²	124	42.4 Å²	42.4	81%	0.805	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.3	-178.7	-30.1	36.4	0	0	0	114.9	G282	P280-G282 VanDerWaalsContact C-N 3.27Å; P280-G282 PolarHBondContact O-N 3.12Å
281	N	91.6	Very high	95.8	Very high	139 Å²	139	39.3 Å²	39.3	74%	0.743	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	3.2	177.8	-62.5	-16.5	0	0	0	114.5	H279	H279-N281 PolarHBondContact ND1-N 2.73Å; H279-N281 VanDerWaalsContact ND1-N 3.19Å; H279-N281 PolarHBondContact O-N 3.21Å
282	G	91.4	Very high	95.9	Very high	33 Å²	33	35.6 Å²	35.6	34%	0.34	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	126.7	170.9	174.5	0	0	0	0	0	114.8	H279 P280	H279-G282 PolarHBondContact O-N 2.85Å; P280-G282 VanDerWaalsContact C-N 3.27Å; P280-G282 PolarHBondContact O-N 3.12Å
283	N	94.8	Very high	96	Very high	17 Å²	17	33.5 Å²	33.5	9%	0.091	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	116.3	178.2	-178	-8.9	0	0	0	110.6	T285 E286 L287 Y304	N283-T285 PolarHBondContact O-N 2.93Å; N283-T285 WeakPolarHBondContact OD1-CB 3.47Å; N283-T285 PolarHBondContact OD1-N 3.18Å; N283-T285 VanDerWaalsContact OD1-N 3.09Å; N283-T285 PolarHBondContact OD1-OG1 3.05Å; N283-E286 HydrophobicContact CB-CB 4.34Å; N283-E286 HydrophobicContact CB-CG 4.28Å; N283-E286 PolarHBondContact ND2-OE1 3.35Å; N283-E286 PolarHBondContact O-N 3.23Å; N283-L287 WeakPolarHBondContact O-CG 3.44Å; N283-L287 PolarHBondContact O-N 3.46Å; N283-L287 VanDerWaalsContact O-N 3.16Å; N283-Y304 PolarHBondContact ND2-OH 2.8Å
284	I	96.9	Very high	95.9	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-32.9	-176	-168.6	62.6	0	0	0	112.6	L223 F251 T252 L256 I277 L287 L288	L223-I284 HydrophobicContact CD1-CG2 3.87Å; L223-I284 HydrophobicContact CD2-CG2 3.98Å; F251-I284 HydrophobicContact CD1-CD1 4.12Å; F251-I284 HydrophobicContact CE1-CD1 3.93Å; T252-I284 HydrophobicContact CG2-CG1 4.44Å; L256-I284 HydrophobicContact CD1-CB 3.76Å; L256-I284 HydrophobicContact CD1-CD1 4.34Å; L256-I284 HydrophobicContact CD1-CG1 3.74Å; L256-I284 HydrophobicContact CD1-CG2 3.77Å; L256-I284 HydrophobicContact CG-CD1 4.49Å; L256-I284 HydrophobicContact CG-CG1 4.4Å; I277-I284 HydrophobicContact CB-CG2 3.96Å; I284-L287 PolarHBondContact O-N 3.23Å; I284-L288 HydrophobicContact CD1-CG 4.47Å; I284-L288 HydrophobicContact CG1-CD1 3.99Å; I284-L288 HydrophobicContact CG1-CG 4.3Å; I284-L288 WeakPolarHBondContact O-CB 3.43Å; I284-L288 VanDerWaalsContact O-CG 3.31Å; I284-L288 WeakPolarHBondContact O-CG 3.46Å; I284-L288 PolarHBondContact O-N 3.5Å
285	T	96.8	Very high	95.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-47.9	179.6	-54.4	0	0	0	0	110.7	V226 N283 L289 Y304 L311	V226-T285 HydrophobicContact CB-CG2 4.21Å; V226-T285 HydrophobicContact CG1-CG2 3.38Å; V226-T285 HydrophobicContact CG2-CG2 3.74Å; N283-T285 PolarHBondContact O-N 2.93Å; N283-T285 WeakPolarHBondContact OD1-CB 3.47Å; N283-T285 PolarHBondContact OD1-N 3.18Å; N283-T285 VanDerWaalsContact OD1-N 3.09Å; N283-T285 PolarHBondContact OD1-OG1 3.05Å; T285-L289 WeakPolarHBondContact O-CG 3.48Å; T285-L289 PolarHBondContact O-N 3.42Å; T285-Y304 HydrophobicContact CG2-CE2 4.29Å; T285-L311 HydrophobicContact CG2-CD1 4.04Å; T285-L311 HydrophobicContact CG2-CD2 3.67Å
286	E	95.8	Very high	95.6	Very high	57 Å²	57	36.5 Å²	36.5	27%	0.266	19%	0.194	S	C	.	.	H	α-helix	trans	-65.8	-41.1	177.2	-71.5	172.5	-138.7	0	0	112	N283 L289 K290 L311	N283-E286 HydrophobicContact CB-CB 4.34Å; N283-E286 HydrophobicContact CB-CG 4.28Å; N283-E286 PolarHBondContact ND2-OE1 3.35Å; N283-E286 PolarHBondContact O-N 3.23Å; E286-L289 PolarHBondContact O-N 3.48Å; E286-K290 VanDerWaalsContact O-CB 3.3Å; E286-K290 WeakPolarHBondContact O-CB 3.38Å; E286-K290 PolarHBondContact O-N 2.8Å; E286-L311 HydrophobicContact CG-CD2 3.68Å
287	L	96.9	Very high	95.2	Very high	57 Å²	57	36.7 Å²	36.7	30%	0.298	20%	0.195	S	C	.	.	H	α-helix	trans	-65.1	-41.2	-179.7	-68.5	175.5	0	0	0	112.3	F251 N283 I284 K290 E291	F251-L287 HydrophobicContact CE1-CB 3.92Å; F251-L287 HydrophobicContact CZ-CB 4.03Å; N283-L287 WeakPolarHBondContact O-CG 3.44Å; N283-L287 PolarHBondContact O-N 3.46Å; N283-L287 VanDerWaalsContact O-N 3.16Å; I284-L287 PolarHBondContact O-N 3.23Å; L287-K290 PolarHBondContact O-N 2.83Å; L287-E291 WeakPolarHBondContact O-CB 3.39Å; L287-E291 PolarHBondContact O-N 3.31Å
288	L	97.8	Very high	94.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-43.5	176.3	-76.1	163.3	0	0	0	111.6	G205 L223 F251 I284 G292 F293 A294	G205-L288 WeakPolarHBondContact O-CD1 3.46Å; L223-L288 HydrophobicContact CD1-CD1 3.62Å; F251-L288 HydrophobicContact CD1-CD2 3.56Å; F251-L288 HydrophobicContact CD1-CG 4.14Å; F251-L288 HydrophobicContact CE1-CD2 4.15Å; F251-L288 HydrophobicContact CE1-CG 4.29Å; F251-L288 HydrophobicContact CG-CD2 4.35Å; I284-L288 HydrophobicContact CD1-CG 4.47Å; I284-L288 HydrophobicContact CG1-CD1 3.99Å; I284-L288 HydrophobicContact CG1-CG 4.3Å; I284-L288 WeakPolarHBondContact O-CB 3.43Å; I284-L288 VanDerWaalsContact O-CG 3.31Å; I284-L288 WeakPolarHBondContact O-CG 3.46Å; I284-L288 PolarHBondContact O-N 3.5Å; L288-G292 PolarHBondContact O-N 3.08Å; L288-F293 HydrophobicContact CD2-CB 3.78Å; L288-F293 PolarHBondContact O-N 3.18Å; L288-A294 HydrophobicContact CB-CB 3.87Å; L288-A294 PolarHBondContact O-N 2.74Å
289	L	97.3	Very high	94.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-48.1	175.7	-70.1	172.3	0	0	0	111.8	V226 T285 E286 E291 G292 A294 R295 L311 A314 E315 A318	V226-L289 HydrophobicContact CB-CD2 4.4Å; V226-L289 HydrophobicContact CG1-CD1 3.56Å; V226-L289 HydrophobicContact CG1-CD2 3.78Å; V226-L289 HydrophobicContact CG1-CG 3.69Å; T285-L289 WeakPolarHBondContact O-CG 3.48Å; T285-L289 PolarHBondContact O-N 3.42Å; E286-L289 PolarHBondContact O-N 3.48Å; L289-E291 PolarHBondContact O-N 3.26Å; L289-G292 WeakPolarHBondContact O-CA 3.49Å; L289-G292 PolarHBondContact O-N 3.23Å; L289-A294 HydrophobicContact CD2-CB 3.85Å; L289-A294 WeakPolarHBondContact CD2-O 3.46Å; L289-A294 HydrophobicContact CG-CB 4.31Å; L289-R295 VanDerWaalsContact CD2-C 3.5Å; L289-L311 HydrophobicContact CD1-CB 3.52Å; L289-L311 HydrophobicContact CD1-CD2 3.66Å; L289-L311 HydrophobicContact CD1-CG 4.06Å; L289-L311 WeakPolarHBondContact CD1-O 3.38Å; L289-A314 HydrophobicContact CB-CB 3.72Å; L289-A314 HydrophobicContact CD1-CB 4.4Å; L289-E315 HydrophobicContact CD2-CB 4.32Å; L289-A318 WeakPolarHBondContact O-CB 3.39Å
290	K	96.8	Very high	93.8	Very high	110 Å²	110	41.5 Å²	41.5	48%	0.478	21%	0.212	S	C	.	.	H	α-helix	trans	-59.5	-37.6	-177.7	-173.3	174.2	-177	176	0	111.5	E286 L287 G292 A314 R321	E286-K290 VanDerWaalsContact O-CB 3.3Å; E286-K290 WeakPolarHBondContact O-CB 3.38Å; E286-K290 PolarHBondContact O-N 2.8Å; L287-K290 PolarHBondContact O-N 2.83Å; K290-G292 VanDerWaalsContact C-N 3.31Å; K290-A314 HydrophobicContact CB-CB 4.17Å; K290-R321 PolarHBondContact O-NH2 3.46Å
291	E	96.6	Very high	93.7	Very high	56 Å²	56	36 Å²	36	26%	0.262	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-2	175	-69.8	-58.9	125.4	0	0	113.4	F251 L287 L289 F293 R324	F251-E291 HydrophobicContact CE2-CB 4.43Å; F251-E291 HydrophobicContact CE2-CG 3.94Å; F251-E291 HydrophobicContact CZ-CG 4.02Å; L287-E291 WeakPolarHBondContact O-CB 3.39Å; L287-E291 PolarHBondContact O-N 3.31Å; L289-E291 PolarHBondContact O-N 3.26Å; E291-F293 VanDerWaalsContact C-N 3.28Å; E291-F293 HydrophobicContact CB-CD2 3.72Å; E291-F293 HydrophobicContact CB-CE2 4.06Å; E291-F293 PolarHBondContact O-N 3.31Å; E291-R324 WeakPolarHBondContact O-CD 3.4Å; E291-R324 PolarHBondContact O-NH1 3.15Å; E291-R324 IonicContact OE2-CZ 2.95Å; E291-R324 IonicContact OE2-NH1 2.85Å; E291-R324 PolarHBondContact OE2-NH1 3.14Å; E291-R324 IonicContact OE2-NH2 2.92Å; E291-R324 PolarHBondContact OE2-NH2 3.16Å
292	G	96.4	Very high	93.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	26.7	-179.4	0	0	0	0	0	113.6	L288 L289 K290 R324 I325	L288-G292 PolarHBondContact O-N 3.08Å; L289-G292 WeakPolarHBondContact O-CA 3.49Å; L289-G292 PolarHBondContact O-N 3.23Å; K290-G292 VanDerWaalsContact C-N 3.31Å; G292-R324 VanDerWaalsContact O-CB 3.3Å; G292-R324 WeakPolarHBondContact O-CB 3.38Å; G292-I325 VanDerWaalsContact O-CG1 3.28Å; G292-I325 WeakPolarHBondContact O-CG1 3.38Å; G292-I325 WeakPolarHBondContact O-CG2 3.41Å; G292-I325 PolarHBondContact O-N 3.25Å
293	F	96.8	Very high	93.3	Very high	12 Å²	12	34.7 Å²	34.7	5%	0.053	18%	0.176	C	C	.	.	S	Bend	trans	-89.1	-11.2	168.6	-74.5	-58	0	0	0	112.8	C228 P229 E247 A248 F251 L288 E291 R324	C228-F293 PolarHBondContact SG-O 3.1Å; P229-F293 WeakPolarHBondContact CD-O 3.44Å; E247-F293 HydrophobicContact CB-CD1 4.46Å; E247-F293 HydrophobicContact CB-CE1 3.49Å; E247-F293 VanDerWaalsContact CB-CE1 3.49Å; E247-F293 HydrophobicContact CB-CZ 4.03Å; A248-F293 HydrophobicContact CB-CB 3.88Å; A248-F293 HydrophobicContact CB-CD1 3.78Å; A248-F293 HydrophobicContact CB-CG 4.06Å; F251-F293 HydrophobicContact CB-CD2 4.04Å; F251-F293 HydrophobicContact CB-CE2 3.89Å; F251-F293 HydrophobicContact CB-CZ 4.44Å; F251-F293 HydrophobicContact CD1-CD2 4.35Å; F251-F293 AromaticContact CD2-CD2 3.84Å; F251-F293 HydrophobicContact CD2-CD2 3.84Å; F251-F293 AromaticContact CD2-CE2 3.43Å; F251-F293 HydrophobicContact CD2-CE2 3.43Å; F251-F293 VanDerWaalsContact CD2-CE2 3.43Å; F251-F293 HydrophobicContact CD2-CZ 4.44Å; F251-F293 HydrophobicContact CE2-CD2 4.33Å; F251-F293 HydrophobicContact CE2-CE2 4.08Å; F251-F293 AromaticContact CG-CD2 3.82Å; F251-F293 HydrophobicContact CG-CD2 3.82Å; F251-F293 AromaticContact CG-CE2 3.78Å; F251-F293 HydrophobicContact CG-CE2 3.78Å; L288-F293 HydrophobicContact CD2-CB 3.78Å; L288-F293 PolarHBondContact O-N 3.18Å; E291-F293 VanDerWaalsContact C-N 3.28Å; E291-F293 HydrophobicContact CB-CD2 3.72Å; E291-F293 HydrophobicContact CB-CE2 4.06Å; E291-F293 PolarHBondContact O-N 3.31Å; F293-R324 VanDerWaalsContact CZ-CD 3.45Å
294	A	96.6	Very high	93.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.			trans	-136.8	162.6	177.7	0	0	0	0	0	110.7	V226 K227 L288 L289 I325	V226-A294 HydrophobicContact CB-CB 4.25Å; K227-A294 WeakPolarHBondContact O-CA 3.4Å; L288-A294 HydrophobicContact CB-CB 3.87Å; L288-A294 PolarHBondContact O-N 2.74Å; L289-A294 HydrophobicContact CD2-CB 3.85Å; L289-A294 WeakPolarHBondContact CD2-O 3.46Å; L289-A294 HydrophobicContact CG-CB 4.31Å; A294-I325 VanDerWaalsContact C-CD1 3.47Å; A294-I325 VanDerWaalsContact O-CD1 3.31Å; A294-I325 WeakPolarHBondContact O-CD1 3.34Å
295	R	94	Very high	93	Very high	62 Å²	62	37.2 Å²	37.2	23%	0.234	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	154.5	166.8	66.9	-171.5	-174.9	-179.1	13.4	110.4	V226 K227 L289 E315 I325 W326 D469	V226-R295 CarbonylContact C-O 3.46Å; V226-R295 VanDerWaalsContact CA-O 3.25Å; V226-R295 WeakPolarHBondContact CA-O 3.36Å; K227-R295 PolarHBondContact N-O 2.86Å; K227-R295 PolarHBondContact O-N 3.09Å; L289-R295 VanDerWaalsContact CD2-C 3.5Å; R295-E315 VanDerWaalsContact CA-OE1 3.23Å; R295-E315 WeakPolarHBondContact CA-OE1 3.21Å; R295-E315 WeakPolarHBondContact CB-OE1 3.18Å; R295-I325 HydrophobicContact CB-CD1 4.18Å; R295-W326 HydrophobicContact CB-CH2 4.16Å; R295-W326 HydrophobicContact CB-CZ2 3.79Å; R295-D469 IonicContact CZ-OD1 3.21Å; R295-D469 IonicContact NH1-OD1 2.88Å; R295-D469 PolarHBondContact NH1-OD1 3.04Å; R295-D469 IonicContact NH2-OD1 2.73Å; R295-D469 PolarHBondContact NH2-OD1 2.94Å
296	C	92.6	Very high	92.8	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.054	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	143.9	173.6	-71.2	0	0	0	0	110.7	G225 M301 E315	G225-C296 CarbonylContact O-C 3.59Å; G225-C296 VanDerWaalsContact O-CA 3.28Å; G225-C296 WeakPolarHBondContact O-CA 3.32Å; C296-M301 HydrophobicContact CB-CE 3.56Å; C296-E315 PolarHBondContact N-OE1 3.37Å
297	V	90	Very high	92.5	Very high	4 Å²	4	38 Å²	38	2%	0.024	20%	0.198	C	C	.	.			trans	-126.6	126	175.3	-69.5	0	0	0	0	111.6	G225 K227 W299 S300 M301	G225-V297 PolarHBondContact O-N 3.37Å; K227-V297 HydrophobicContact CB-CG1 3.62Å; V297-W299 PolarHBondContact O-N 3Å; V297-S300 VanDerWaalsContact CG2-OG 3.32Å; V297-S300 WeakPolarHBondContact CG2-OG 3.12Å; V297-M301 WeakPolarHBondContact O-CB 3.41Å; V297-M301 PolarHBondContact O-N 2.91Å
298	D	84.5	Confident	92.1	Very high	35 Å²	35	37.4 Å²	37.4	19%	0.187	20%	0.198	C	C	.	.	H	α-helix	trans	-70.9	-34.6	-168.1	-54.2	-33.5	0	0	0	113.2	S300 M301 R312 R473 L481	D298-S300 VanDerWaalsContact C-N 3.26Å; D298-S300 PolarHBondContact O-N 3.34Å; D298-M301 PolarHBondContact O-N 3.06Å; D298-R312 IonicContact OD1-CZ 3.65Å; D298-R312 IonicContact OD1-NH1 3.25Å; D298-R312 PolarHBondContact OD1-NH1 3.04Å; D298-R312 IonicContact OD1-NH2 2.74Å; D298-R312 PolarHBondContact OD1-NH2 3.05Å; D298-R473 IonicContact OD1-NH1 3.97Å; D298-R473 PolarHBondContact OD1-NH1 3.04Å; D298-R473 IonicContact OD2-NH1 3.61Å; D298-R473 PolarHBondContact OD2-NH1 3.38Å; D298-L481 HydrophobicContact CB-CD1 4.49Å
299	W	85.1	Confident	91.6	Very high	151 Å²	151	43.1 Å²	43.1	57%	0.572	22%	0.224	S	C	*	.	H	α-helix	trans	-66.6	-25.3	-174.6	70.5	-91.2	0	0	0	113.7	M222 L274 V297	M222-W299 HydrophobicContact SD-CH2 4.36Å; M222-W299 HydrophobicContact SD-CZ2 4.38Å; L274-W299 HydrophobicContact CD1-CH2 4.1Å; L274-W299 HydrophobicContact CD1-CZ3 3.79Å; L274-W299 HydrophobicContact CD2-CH2 4.08Å; V297-W299 PolarHBondContact O-N 3Å
300	S	90.2	Very high	91.4	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.014	24%	0.244	C	C	.	.	H	α-helix	trans	-112.6	2.9	175.3	67.6	0	0	0	0	113.1	G225 V297 D298 A302 V303	G225-S300 PolarHBondContact N-O 2.8Å; G225-S300 PolarHBondContact N-OG 2.71Å; V297-S300 VanDerWaalsContact CG2-OG 3.32Å; V297-S300 WeakPolarHBondContact CG2-OG 3.12Å; D298-S300 VanDerWaalsContact C-N 3.26Å; D298-S300 PolarHBondContact O-N 3.34Å; S300-A302 VanDerWaalsContact C-N 3.32Å; S300-A302 PolarHBondContact O-N 3.09Å; S300-V303 WeakPolarHBondContact O-CG2 3.17Å; S300-V303 PolarHBondContact O-N 3.05Å
301	M	89	Confident	91.3	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.039	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-37.9	177.1	-168.2	61.2	69.3	0	0	111.6	G225 C296 V297 D298 V303 Y304 P308 L311	G225-M301 VanDerWaalsContact O-CE 3.25Å; G225-M301 WeakPolarHBondContact O-CE 3.07Å; C296-M301 HydrophobicContact CB-CE 3.56Å; V297-M301 WeakPolarHBondContact O-CB 3.41Å; V297-M301 PolarHBondContact O-N 2.91Å; D298-M301 PolarHBondContact O-N 3.06Å; M301-V303 PolarHBondContact O-N 3.39Å; M301-Y304 WeakPolarHBondContact O-CB 3.24Å; M301-Y304 PolarHBondContact O-N 3.01Å; M301-P308 HydrophobicContact CG-CB 3.8Å; M301-P308 HydrophobicContact SD-CB 3.6Å; M301-L311 HydrophobicContact CE-CB 4.48Å; M301-L311 HydrophobicContact CE-CD1 4.34Å; M301-L311 HydrophobicContact SD-CB 4.48Å; M301-L311 HydrophobicContact SD-CD1 3.95Å
302	A	85.1	Confident	91	Very high	101 Å²	101	41.3 Å²	41.3	84%	0.835	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.9	-177.9	0	0	0	0	0	114.2	S300	S300-A302 VanDerWaalsContact C-N 3.32Å; S300-A302 PolarHBondContact O-N 3.09Å
303	V	89.3	Confident	90.8	Very high	44 Å²	44	44 Å²	44	27%	0.267	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-12.7	176.6	-59.8	0	0	0	0	112.7	E266 L274 S300 M301 T305	E266-V303 HydrophobicContact CB-CB 4.42Å; E266-V303 WeakPolarHBondContact CB-O 3.21Å; L274-V303 HydrophobicContact CD1-CG2 4.14Å; S300-V303 WeakPolarHBondContact O-CG2 3.17Å; S300-V303 PolarHBondContact O-N 3.05Å; M301-V303 PolarHBondContact O-N 3.39Å; V303-T305 PolarHBondContact O-N 3.5Å
304	Y	93.2	Very high	90.7	Very high	11 Å²	11	44 Å²	44	4%	0.043	24%	0.239	C	C	.	.			trans	-69.2	123.1	178.1	-177.8	-104.8	0	0	0	111.4	S224 T276 N283 T285 M301 Q306 G307 L311	S224-Y304 WeakPolarHBondContact OG-CD2 3.45Å; T276-Y304 HydrophobicContact CG2-CE2 4.06Å; T276-Y304 WeakPolarHBondContact OG1-CD2 3.49Å; T276-Y304 VanDerWaalsContact OG1-CE2 3.24Å; T276-Y304 WeakPolarHBondContact OG1-CE2 3.35Å; N283-Y304 PolarHBondContact ND2-OH 2.8Å; T285-Y304 HydrophobicContact CG2-CE2 4.29Å; M301-Y304 WeakPolarHBondContact O-CB 3.24Å; M301-Y304 PolarHBondContact O-N 3.01Å; Y304-Q306 HydrophobicContact CE1-CB 3.74Å; Y304-Q306 HydrophobicContact CE2-CB 4.2Å; Y304-Q306 HydrophobicContact CE2-CG 4.4Å; Y304-Q306 WeakPolarHBondContact OH-CB 3.37Å; Y304-G307 WeakPolarHBondContact CE1-O 3.43Å; Y304-L311 HydrophobicContact CD1-CD1 3.75Å; Y304-L311 HydrophobicContact CD1-CG 4.1Å; Y304-L311 HydrophobicContact CD2-CD1 4.02Å; Y304-L311 HydrophobicContact CE1-CD1 3.72Å; Y304-L311 HydrophobicContact CE1-CD2 4.06Å; Y304-L311 HydrophobicContact CE1-CG 3.63Å; Y304-L311 HydrophobicContact CE2-CD1 3.99Å; Y304-L311 HydrophobicContact CE2-CD2 4.36Å; Y304-L311 HydrophobicContact CE2-CG 4.46Å; Y304-L311 HydrophobicContact CG-CD1 3.87Å; Y304-L311 WeakPolarHBondContact OH-CD2 3.38Å
305	T	92.4	Very high	90.6	Very high	63 Å²	63	44.5 Å²	44.5	39%	0.387	24%	0.241	S	C	.	.			trans	-96.8	-9.9	-169	57.2	0	0	0	0	114.8	Q192 E266 V303	Q192-T305 HydrophobicContact CG-CG2 4.28Å; E266-T305 HydrophobicContact CG-CG2 3.87Å; E266-T305 WeakPolarHBondContact OE1-CB 3.46Å; E266-T305 PolarHBondContact OE1-N 2.79Å; E266-T305 PolarHBondContact OE1-OG1 2.99Å; V303-T305 PolarHBondContact O-N 3.5Å
306	Q	92.9	Very high	90.4	Very high	63 Å²	63	48.3 Å²	48.3	29%	0.294	26%	0.256	S	S	.	.	S	Bend	trans	-96	9.8	-171.8	-54.3	-59.5	-66.3	0	0	114.8	T276 Y304 K310	T276-Q306 HydrophobicContact CG2-CG 3.9Å; Y304-Q306 HydrophobicContact CE1-CB 3.74Å; Y304-Q306 HydrophobicContact CE2-CB 4.2Å; Y304-Q306 HydrophobicContact CE2-CG 4.4Å; Y304-Q306 WeakPolarHBondContact OH-CB 3.37Å; Q306-K310 PolarHBondContact O-NZ 2.98Å
307	G	89.2	Confident	90.5	Very high	12 Å²	12	49.7 Å²	49.7	12%	0.124	27%	0.266	C	S	.	.			trans	102	95.7	-179.3	0	0	0	0	0	112.6	Y304 E309 K310	Y304-G307 WeakPolarHBondContact CE1-O 3.43Å; G307-E309 WeakPolarHBondContact CA-OE1 3.39Å; G307-E309 WeakPolarHBondContact CA-OE2 3.33Å; G307-E309 PolarHBondContact O-N 3.44Å; G307-K310 WeakPolarHBondContact O-CB 3.28Å; G307-K310 PolarHBondContact O-N 3.12Å
308	P	88.4	Confident	90.7	Very high	44 Å²	44	49.5 Å²	49.5	29%	0.286	26%	0.264	S	S	.	.	H	α-helix	trans	-59	-27.8	-178.7	25	-35.1	0	0	0	113.3	M301 K310 L311 R312	M301-P308 HydrophobicContact CG-CB 3.8Å; M301-P308 HydrophobicContact SD-CB 3.6Å; P308-K310 PolarHBondContact O-N 3.42Å; P308-L311 WeakPolarHBondContact O-CB 3.45Å; P308-L311 PolarHBondContact O-N 2.88Å; P308-L311 VanDerWaalsContact O-N 3.09Å; P308-R312 PolarHBondContact O-N 2.99Å
309	E	88.1	Confident	91.1	Very high	119 Å²	119	48.8 Å²	48.8	56%	0.556	26%	0.26	S	S	*	.	H	α-helix	trans	-57.7	-33.4	175	67.7	-70.7	164.4	0	0	112.9	G307 R312 A313	G307-E309 WeakPolarHBondContact CA-OE1 3.39Å; G307-E309 WeakPolarHBondContact CA-OE2 3.33Å; G307-E309 PolarHBondContact O-N 3.44Å; E309-R312 PolarHBondContact O-N 3.32Å; E309-A313 WeakPolarHBondContact O-CB 3.46Å; E309-A313 PolarHBondContact O-N 3.38Å
310	K	92.6	Very high	91.3	Very high	98 Å²	98	48.4 Å²	48.4	43%	0.426	26%	0.264	S	S	.	.	H	α-helix	trans	-67.9	-40.1	176.2	-63	179.4	-172.4	157.8	0	111.7	Q306 G307 P308 A313 A314	Q306-K310 PolarHBondContact O-NZ 2.98Å; G307-K310 WeakPolarHBondContact O-CB 3.28Å; G307-K310 PolarHBondContact O-N 3.12Å; P308-K310 PolarHBondContact O-N 3.42Å; K310-A313 PolarHBondContact O-N 2.98Å; K310-A314 WeakPolarHBondContact O-CB 3.02Å; K310-A314 PolarHBondContact O-N 3.41Å
311	L	94.4	Very high	91.6	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.5	-46.6	176.5	-60.7	-168.4	0	0	0	110.5	V226 T285 E286 L289 M301 Y304 P308 A313 A314 E315	V226-L311 HydrophobicContact CG1-CD1 4.17Å; T285-L311 HydrophobicContact CG2-CD1 4.04Å; T285-L311 HydrophobicContact CG2-CD2 3.67Å; E286-L311 HydrophobicContact CG-CD2 3.68Å; L289-L311 HydrophobicContact CD1-CB 3.52Å; L289-L311 HydrophobicContact CD1-CD2 3.66Å; L289-L311 HydrophobicContact CD1-CG 4.06Å; L289-L311 WeakPolarHBondContact CD1-O 3.38Å; M301-L311 HydrophobicContact CE-CB 4.48Å; M301-L311 HydrophobicContact CE-CD1 4.34Å; M301-L311 HydrophobicContact SD-CB 4.48Å; M301-L311 HydrophobicContact SD-CD1 3.95Å; Y304-L311 HydrophobicContact CD1-CD1 3.75Å; Y304-L311 HydrophobicContact CD1-CG 4.1Å; Y304-L311 HydrophobicContact CD2-CD1 4.02Å; Y304-L311 HydrophobicContact CE1-CD1 3.72Å; Y304-L311 HydrophobicContact CE1-CD2 4.06Å; Y304-L311 HydrophobicContact CE1-CG 3.63Å; Y304-L311 HydrophobicContact CE2-CD1 3.99Å; Y304-L311 HydrophobicContact CE2-CD2 4.36Å; Y304-L311 HydrophobicContact CE2-CG 4.46Å; Y304-L311 HydrophobicContact CG-CD1 3.87Å; Y304-L311 WeakPolarHBondContact OH-CD2 3.38Å; P308-L311 WeakPolarHBondContact O-CB 3.45Å; P308-L311 PolarHBondContact O-N 2.88Å; P308-L311 VanDerWaalsContact O-N 3.09Å; L311-A313 VanDerWaalsContact C-N 3.34Å; L311-A313 PolarHBondContact O-N 3.39Å; L311-A314 PolarHBondContact O-N 3.06Å; L311-E315 PolarHBondContact O-N 2.87Å
312	R	90.3	Very high	91.8	Very high	31 Å²	31	59.2 Å²	59.2	12%	0.117	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-41	176.2	-63.9	-58.7	-169.2	-175	-2.1	112.6	D298 P308 E309 E315 R316 D478	D298-R312 IonicContact OD1-CZ 3.65Å; D298-R312 IonicContact OD1-NH1 3.25Å; D298-R312 PolarHBondContact OD1-NH1 3.04Å; D298-R312 IonicContact OD1-NH2 2.74Å; D298-R312 PolarHBondContact OD1-NH2 3.05Å; P308-R312 PolarHBondContact O-N 2.99Å; E309-R312 PolarHBondContact O-N 3.32Å; R312-E315 PolarHBondContact O-N 3.12Å; R312-R316 VanDerWaalsContact O-CB 3.29Å; R312-R316 WeakPolarHBondContact O-CB 3.5Å; R312-R316 PolarHBondContact O-N 3.46Å; R312-D478 WeakPolarHBondContact CG-OD2 3.3Å; R312-D478 IonicContact CZ-OD1 3.56Å; R312-D478 IonicContact CZ-OD2 2.7Å; R312-D478 IonicContact NE-OD1 2.77Å; R312-D478 IonicContact NE-OD2 3.28Å; R312-D478 PolarHBondContact NE-OD2 3.46Å; R312-D478 IonicContact NH2-OD1 2.74Å; R312-D478 PolarHBondContact NH2-OD1 3.26Å; R312-D478 IonicContact NH2-OD2 2.94Å; R312-D478 PolarHBondContact NH2-OD2 3.41Å
313	A	91.3	Very high	92.3	Very high	55 Å²	55	55.7 Å²	55.7	46%	0.455	28%	0.276	S	S	.	.	H	α-helix	trans	-64	-41.7	175.9	0	0	0	0	0	112	E309 K310 L311 R316 S317	E309-A313 WeakPolarHBondContact O-CB 3.46Å; E309-A313 PolarHBondContact O-N 3.38Å; K310-A313 PolarHBondContact O-N 2.98Å; L311-A313 VanDerWaalsContact C-N 3.34Å; L311-A313 PolarHBondContact O-N 3.39Å; A313-R316 PolarHBondContact O-N 3.34Å; A313-S317 PolarHBondContact O-N 3.44Å
314	A	95.4	Very high	92.5	Very high	12 Å²	12	57.1 Å²	57.1	10%	0.099	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-45.9	176.8	0	0	0	0	0	112	L289 K290 K310 L311 S317 A318	L289-A314 HydrophobicContact CB-CB 3.72Å; L289-A314 HydrophobicContact CD1-CB 4.4Å; K290-A314 HydrophobicContact CB-CB 4.17Å; K310-A314 WeakPolarHBondContact O-CB 3.02Å; K310-A314 PolarHBondContact O-N 3.41Å; L311-A314 PolarHBondContact O-N 3.06Å; A314-S317 PolarHBondContact O-N 3.49Å; A314-A318 PolarHBondContact O-N 2.86Å; A314-A318 VanDerWaalsContact O-N 3.14Å
315	E	94.1	Very high	92.5	Very high	11 Å²	11	59 Å²	59	5%	0.051	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-44.4	175.2	-177.4	178.3	-113.5	0	0	111.8	L289 R295 C296 L311 R312 S317 A318 K319 W326	L289-E315 HydrophobicContact CD2-CB 4.32Å; R295-E315 VanDerWaalsContact CA-OE1 3.23Å; R295-E315 WeakPolarHBondContact CA-OE1 3.21Å; R295-E315 WeakPolarHBondContact CB-OE1 3.18Å; C296-E315 PolarHBondContact N-OE1 3.37Å; L311-E315 PolarHBondContact O-N 2.87Å; R312-E315 PolarHBondContact O-N 3.12Å; E315-S317 VanDerWaalsContact C-N 3.34Å; E315-S317 PolarHBondContact O-N 2.9Å; E315-A318 WeakPolarHBondContact O-CB 3.48Å; E315-A318 PolarHBondContact O-N 3.21Å; E315-A318 VanDerWaalsContact O-N 3.09Å; E315-K319 HydrophobicContact CG-CD 4.34Å; E315-K319 PolarHBondContact O-N 2.91Å; E315-W326 HydrophobicContact CG-CZ2 3.75Å; E315-W326 WeakPolarHBondContact OE1-CZ2 3.33Å
316	R	90.9	Very high	92.6	Very high	142 Å²	142	57.4 Å²	57.4	54%	0.536	27%	0.273	S	S	.	.	H	α-helix	trans	-57.9	-46.7	177.6	-174	-173.1	-58.6	169.5	1.2	111.3	R312 A313 A318 K319 E320	R312-R316 VanDerWaalsContact O-CB 3.29Å; R312-R316 WeakPolarHBondContact O-CB 3.5Å; R312-R316 PolarHBondContact O-N 3.46Å; A313-R316 PolarHBondContact O-N 3.34Å; R316-A318 VanDerWaalsContact C-N 3.26Å; R316-A318 PolarHBondContact O-N 3.25Å; R316-K319 WeakPolarHBondContact O-CB 3.4Å; R316-K319 PolarHBondContact O-N 3.05Å; R316-E320 HydrophobicContact CG-CG 4.48Å; R316-E320 WeakPolarHBondContact CG-OE1 3.41Å; R316-E320 WeakPolarHBondContact O-CG 3.49Å; R316-E320 PolarHBondContact O-N 3.22Å
317	S	94.1	Very high	92.6	Very high	38 Å²	38	60 Å²	60	27%	0.266	28%	0.284	S	S	.	.	H	α-helix	trans	-60.5	-35.6	176.4	-177.9	0	0	0	0	112.4	A313 A314 E315 R321	A313-S317 PolarHBondContact O-N 3.44Å; A314-S317 PolarHBondContact O-N 3.49Å; E315-S317 VanDerWaalsContact C-N 3.34Å; E315-S317 PolarHBondContact O-N 2.9Å; S317-R321 WeakPolarHBondContact O-CB 3.4Å; S317-R321 VanDerWaalsContact O-CG 3.31Å; S317-R321 WeakPolarHBondContact O-CG 3.38Å; S317-R321 PolarHBondContact O-N 3.45Å; S317-R321 PolarHBondContact O-NE 2.89Å
318	A	95.2	Very high	92.6	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-71.1	-40.3	176.2	0	0	0	0	0	112.6	L289 A314 E315 R316 R321 K322 V323	L289-A318 WeakPolarHBondContact O-CB 3.39Å; A314-A318 PolarHBondContact O-N 2.86Å; A314-A318 VanDerWaalsContact O-N 3.14Å; E315-A318 WeakPolarHBondContact O-CB 3.48Å; E315-A318 PolarHBondContact O-N 3.21Å; E315-A318 VanDerWaalsContact O-N 3.09Å; R316-A318 VanDerWaalsContact C-N 3.26Å; R316-A318 PolarHBondContact O-N 3.25Å; A318-R321 PolarHBondContact O-N 3.09Å; A318-K322 PolarHBondContact O-N 3.25Å; A318-V323 HydrophobicContact CB-CG2 3.69Å; A318-V323 WeakPolarHBondContact O-CG2 3.45Å; A318-V323 PolarHBondContact O-N 3.41Å; A318-V323 VanDerWaalsContact O-N 3.17Å
319	K	91.6	Very high	92.6	Very high	20 Å²	20	65.8 Å²	65.8	9%	0.087	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-47.8	173.8	-77.7	179.9	169.4	-168.1	0	112.2	E315 R316 R321 K322 W326 Y329 D471	E315-K319 HydrophobicContact CG-CD 4.34Å; E315-K319 PolarHBondContact O-N 2.91Å; R316-K319 WeakPolarHBondContact O-CB 3.4Å; R316-K319 PolarHBondContact O-N 3.05Å; K319-R321 VanDerWaalsContact C-N 3.31Å; K319-R321 PolarHBondContact O-N 3.47Å; K319-K322 PolarHBondContact O-N 3.35Å; K319-W326 HydrophobicContact CD-CD2 4.39Å; K319-W326 HydrophobicContact CD-CE3 4.25Å; K319-W326 HydrophobicContact CD-CH2 4.34Å; K319-W326 HydrophobicContact CD-CZ2 4.45Å; K319-W326 HydrophobicContact CD-CZ3 4.24Å; K319-W326 HydrophobicContact CG-CB 4.49Å; K319-W326 HydrophobicContact CG-CD2 3.46Å; K319-W326 VanDerWaalsContact CG-CD2 3.46Å; K319-W326 HydrophobicContact CG-CE3 3.67Å; K319-W326 HydrophobicContact CG-CG 3.85Å; K319-W326 HydrophobicContact CG-CH2 4.38Å; K319-W326 HydrophobicContact CG-CZ2 4.19Å; K319-W326 HydrophobicContact CG-CZ3 4.14Å; K319-Y329 HydrophobicContact CB-CD1 3.83Å; K319-Y329 HydrophobicContact CB-CE1 3.78Å; K319-Y329 HydrophobicContact CB-CG 4.38Å; K319-Y329 HydrophobicContact CD-CD2 4.4Å; K319-Y329 HydrophobicContact CD-CE1 4.26Å; K319-Y329 HydrophobicContact CD-CE2 3.98Å; K319-Y329 HydrophobicContact CG-CD1 4.23Å; K319-Y329 HydrophobicContact CG-CD2 4.4Å; K319-Y329 HydrophobicContact CG-CE1 4.24Å; K319-Y329 HydrophobicContact CG-CE2 4.41Å; K319-Y329 HydrophobicContact CG-CG 4.31Å; K319-D471 IonicContact NZ-OD1 2.78Å; K319-D471 PolarHBondContact NZ-OD1 3Å; K319-D471 IonicContact NZ-OD2 3.82Å; K319-D471 PolarHBondContact NZ-OD2 3.38Å; K319-D471 VanDerWaalsContact NZ-OD2 3.16Å
320	E	90.5	Very high	92.5	Very high	142 Å²	142	65 Å²	65	66%	0.664	31%	0.309	S	S	*	.	H	α-helix	trans	-61.3	-39	179.1	-74.1	170.5	-179	0	0	112.2	R316 K322	R316-E320 HydrophobicContact CG-CG 4.48Å; R316-E320 WeakPolarHBondContact CG-OE1 3.41Å; R316-E320 WeakPolarHBondContact O-CG 3.49Å; R316-E320 PolarHBondContact O-N 3.22Å; E320-K322 VanDerWaalsContact C-N 3.28Å; E320-K322 PolarHBondContact O-N 2.65Å
321	R	94.8	Very high	92.1	Very high	120 Å²	120	61.9 Å²	61.9	45%	0.453	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.9	176.1	-64.1	-174.2	-58	135.1	-3.7	113.9	K290 S317 A318 K319 V323	K290-R321 PolarHBondContact O-NH2 3.46Å; S317-R321 WeakPolarHBondContact O-CB 3.4Å; S317-R321 VanDerWaalsContact O-CG 3.31Å; S317-R321 WeakPolarHBondContact O-CG 3.38Å; S317-R321 PolarHBondContact O-N 3.45Å; S317-R321 PolarHBondContact O-NE 2.89Å; A318-R321 PolarHBondContact O-N 3.09Å; K319-R321 VanDerWaalsContact C-N 3.31Å; K319-R321 PolarHBondContact O-N 3.47Å; R321-V323 VanDerWaalsContact C-N 3.29Å; R321-V323 HydrophobicContact CB-CG1 3.92Å; R321-V323 PolarHBondContact O-N 2.82Å
322	K	94.4	Very high	91.6	Very high	118 Å²	118	64 Å²	64	51%	0.513	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	47.8	-176.4	-60.1	-171.5	177.1	-167.4	0	113.1	A318 K319 E320 W326 K327 Y329	A318-K322 PolarHBondContact O-N 3.25Å; K319-K322 PolarHBondContact O-N 3.35Å; E320-K322 VanDerWaalsContact C-N 3.28Å; E320-K322 PolarHBondContact O-N 2.65Å; K322-W326 WeakPolarHBondContact CA-O 3.41Å; K322-K327 WeakPolarHBondContact O-CA 3.33Å; K322-Y329 WeakPolarHBondContact CE-O 3.46Å; K322-Y329 PolarHBondContact NZ-O 3.17Å
323	V	94.6	Very high	91.2	Very high	27 Å²	27	63.1 Å²	63.1	16%	0.164	31%	0.313	C	S	.	.			trans	-89.9	134.5	-178.1	-67.5	0	0	0	0	111.8	A318 R321 I325 W326	A318-V323 HydrophobicContact CB-CG2 3.69Å; A318-V323 WeakPolarHBondContact O-CG2 3.45Å; A318-V323 PolarHBondContact O-N 3.41Å; A318-V323 VanDerWaalsContact O-N 3.17Å; R321-V323 VanDerWaalsContact C-N 3.29Å; R321-V323 HydrophobicContact CB-CG1 3.92Å; R321-V323 PolarHBondContact O-N 2.82Å; V323-I325 PolarHBondContact O-N 2.92Å; V323-I325 VanDerWaalsContact O-N 3.16Å; V323-W326 WeakPolarHBondContact O-CB 3.38Å; V323-W326 PolarHBondContact O-N 3.16Å
324	R	94.4	Very high	90.6	Very high	73 Å²	73	63.2 Å²	63.2	28%	0.275	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	55.3	-110.4	167.7	-56.8	-177.5	-178.1	83.2	-10.8	113.4	F244 E291 G292 F293 W326 K327	F244-R324 HydrophobicContact CD1-CB 4.04Å; F244-R324 HydrophobicContact CD1-CG 4.31Å; F244-R324 HydrophobicContact CD2-CB 4.36Å; F244-R324 HydrophobicContact CE1-CB 4.04Å; F244-R324 HydrophobicContact CE1-CG 4.24Å; F244-R324 HydrophobicContact CE2-CB 4.36Å; F244-R324 VanDerWaalsContact CE2-O 3.24Å; F244-R324 WeakPolarHBondContact CE2-O 3.23Å; F244-R324 HydrophobicContact CG-CB 4.19Å; F244-R324 HydrophobicContact CZ-CB 4.2Å; E291-R324 WeakPolarHBondContact O-CD 3.4Å; E291-R324 PolarHBondContact O-NH1 3.15Å; E291-R324 IonicContact OE2-CZ 2.95Å; E291-R324 IonicContact OE2-NH1 2.85Å; E291-R324 PolarHBondContact OE2-NH1 3.14Å; E291-R324 IonicContact OE2-NH2 2.92Å; E291-R324 PolarHBondContact OE2-NH2 3.16Å; G292-R324 VanDerWaalsContact O-CB 3.3Å; G292-R324 WeakPolarHBondContact O-CB 3.38Å; F293-R324 VanDerWaalsContact CZ-CD 3.45Å; R324-W326 PolarHBondContact O-N 3.13Å; R324-K327 WeakPolarHBondContact O-CB 3.38Å; R324-K327 WeakPolarHBondContact O-CG 3.48Å; R324-K327 PolarHBondContact O-N 3.02Å
325	I	94	Very high	90	Very high	52 Å²	52	70.3 Å²	70.3	27%	0.267	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-61.1	-17.8	179.9	74.1	-176.6	0	0	0	112.2	P229 F244 G292 A294 R295 V323	P229-I325 HydrophobicContact CG-CG2 3.78Å; F244-I325 HydrophobicContact CB-CG2 4.29Å; F244-I325 HydrophobicContact CD2-CG2 4Å; F244-I325 HydrophobicContact CG-CG2 4.48Å; G292-I325 VanDerWaalsContact O-CG1 3.28Å; G292-I325 WeakPolarHBondContact O-CG1 3.38Å; G292-I325 WeakPolarHBondContact O-CG2 3.41Å; G292-I325 PolarHBondContact O-N 3.25Å; A294-I325 VanDerWaalsContact C-CD1 3.47Å; A294-I325 VanDerWaalsContact O-CD1 3.31Å; A294-I325 WeakPolarHBondContact O-CD1 3.34Å; R295-I325 HydrophobicContact CB-CD1 4.18Å; V323-I325 PolarHBondContact O-N 2.92Å; V323-I325 VanDerWaalsContact O-N 3.16Å
326	W	93.9	Very high	89.5	Confident	28 Å²	28	72 Å²	72	11%	0.106	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-100.1	10.5	178.1	-53.2	112	0	0	0	114	R295 E315 K319 K322 V323 R324 D328 Y329	R295-W326 HydrophobicContact CB-CH2 4.16Å; R295-W326 HydrophobicContact CB-CZ2 3.79Å; E315-W326 HydrophobicContact CG-CZ2 3.75Å; E315-W326 WeakPolarHBondContact OE1-CZ2 3.33Å; K319-W326 HydrophobicContact CD-CD2 4.39Å; K319-W326 HydrophobicContact CD-CE3 4.25Å; K319-W326 HydrophobicContact CD-CH2 4.34Å; K319-W326 HydrophobicContact CD-CZ2 4.45Å; K319-W326 HydrophobicContact CD-CZ3 4.24Å; K319-W326 HydrophobicContact CG-CB 4.49Å; K319-W326 HydrophobicContact CG-CD2 3.46Å; K319-W326 VanDerWaalsContact CG-CD2 3.46Å; K319-W326 HydrophobicContact CG-CE3 3.67Å; K319-W326 HydrophobicContact CG-CG 3.85Å; K319-W326 HydrophobicContact CG-CH2 4.38Å; K319-W326 HydrophobicContact CG-CZ2 4.19Å; K319-W326 HydrophobicContact CG-CZ3 4.14Å; K322-W326 WeakPolarHBondContact CA-O 3.41Å; V323-W326 WeakPolarHBondContact O-CB 3.38Å; V323-W326 PolarHBondContact O-N 3.16Å; R324-W326 PolarHBondContact O-N 3.13Å; W326-D328 PolarHBondContact O-N 3.15Å; W326-Y329 HydrophobicContact CE3-CD2 4.09Å; W326-Y329 HydrophobicContact CE3-CG 4.33Å; W326-Y329 HydrophobicContact CZ3-CD2 4.41Å; W326-Y329 WeakPolarHBondContact O-CB 3.39Å; W326-Y329 PolarHBondContact O-N 2.85Å
327	K	93.1	Very high	89.2	Confident	119 Å²	119	69.9 Å²	69.9	52%	0.517	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-35.7	-178	68.8	177.8	-171.6	173.7	0	113.3	F244 K322 R324	F244-K327 HydrophobicContact CE2-CD 4.42Å; F244-K327 HydrophobicContact CZ-CD 4.3Å; K322-K327 WeakPolarHBondContact O-CA 3.33Å; R324-K327 WeakPolarHBondContact O-CB 3.38Å; R324-K327 WeakPolarHBondContact O-CG 3.48Å; R324-K327 PolarHBondContact O-N 3.02Å
328	D	89.6	Confident	88.7	Confident	130 Å²	130	76 Å²	76	70%	0.695	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	14.5	-178.7	-54	-45	0	0	0	112.1	W326 V330	W326-D328 PolarHBondContact O-N 3.15Å; D328-V330 PolarHBondContact O-N 3.24Å
329	Y	88.3	Confident	88.2	Confident	47 Å²	47	83 Å²	83	18%	0.184	41%	0.414	C	S	.	.			trans	-66.2	129.6	-178.7	174.4	-107.9	0	0	0	111.6	K319 K322 W326 A331 D471	K319-Y329 HydrophobicContact CB-CD1 3.83Å; K319-Y329 HydrophobicContact CB-CE1 3.78Å; K319-Y329 HydrophobicContact CB-CG 4.38Å; K319-Y329 HydrophobicContact CD-CD2 4.4Å; K319-Y329 HydrophobicContact CD-CE1 4.26Å; K319-Y329 HydrophobicContact CD-CE2 3.98Å; K319-Y329 HydrophobicContact CG-CD1 4.23Å; K319-Y329 HydrophobicContact CG-CD2 4.4Å; K319-Y329 HydrophobicContact CG-CE1 4.24Å; K319-Y329 HydrophobicContact CG-CE2 4.41Å; K319-Y329 HydrophobicContact CG-CG 4.31Å; K322-Y329 WeakPolarHBondContact CE-O 3.46Å; K322-Y329 PolarHBondContact NZ-O 3.17Å; W326-Y329 HydrophobicContact CE3-CD2 4.09Å; W326-Y329 HydrophobicContact CE3-CG 4.33Å; W326-Y329 HydrophobicContact CZ3-CD2 4.41Å; W326-Y329 WeakPolarHBondContact O-CB 3.39Å; W326-Y329 PolarHBondContact O-N 2.85Å; Y329-A331 HydrophobicContact CE1-CB 4.01Å; Y329-D471 WeakPolarHBondContact CE2-OD2 3.33Å
330	V	85.8	Confident	87.9	Confident	103 Å²	103	84.1 Å²	84.1	62%	0.624	42%	0.421	S	S	*	.			trans	-119.7	118.9	171.8	-177.4	0	0	0	0	107.7	D328 A334	D328-V330 PolarHBondContact O-N 3.24Å; V330-A334 HydrophobicContact CG1-CB 4.02Å
331	A	84.4	Confident	87.9	Confident	32 Å²	32	83 Å²	83	26%	0.264	41%	0.41	S	S	.	.			trans	-64.3	140.8	178.1	0	0	0	0	0	110.4	Y329 T333 A334	Y329-A331 HydrophobicContact CE1-CB 4.01Å; A331-T333 PolarHBondContact O-N 3.24Å; A331-A334 HydrophobicContact CB-CB 4.23Å; A331-A334 WeakPolarHBondContact O-CB 3.28Å; A331-A334 PolarHBondContact O-N 3.28Å
332	P	83.5	Confident	87.8	Confident	45 Å²	45	82.7 Å²	82.7	29%	0.292	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.7	177.2	-25.8	33.1	0	0	0	114.3	D471	P332-D471 HydrophobicContact CG-CB 4.23Å; P332-D471 WeakPolarHBondContact CG-O 3.49Å
333	T	82.2	Confident	87.8	Confident	11 Å²	11	78.6 Å²	78.6	7%	0.067	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	14.3	178.8	67.2	0	0	0	0	112.8	A331 N335 L336 R341 D421	A331-T333 PolarHBondContact O-N 3.24Å; T333-N335 PolarHBondContact O-N 2.96Å; T333-L336 HydrophobicContact CG2-CD1 4.12Å; T333-L336 PolarHBondContact O-N 2.95Å; T333-L336 VanDerWaalsContact O-N 3.08Å; T333-R341 PolarHBondContact OG1-NE 2.86Å; T333-D421 WeakPolarHBondContact CG2-O 3.38Å
334	A	78.2	Confident	87.9	Confident	57 Å²	57	80.1 Å²	80.1	47%	0.471	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.9	-172.4	0	0	0	0	0	113.3	V330 A331	V330-A334 HydrophobicContact CG1-CB 4.02Å; A331-A334 HydrophobicContact CB-CB 4.23Å; A331-A334 WeakPolarHBondContact O-CB 3.28Å; A331-A334 PolarHBondContact O-N 3.28Å
335	N	82.1	Confident	88	Confident	161 Å²	161	76.7 Å²	76.7	86%	0.861	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	4.5	-178.9	-59.8	-20.3	0	0	0	113.4	T333	T333-N335 PolarHBondContact O-N 2.96Å
336	L	83.8	Confident	88.2	Confident	48 Å²	48	77.6 Å²	77.6	25%	0.251	40%	0.395	S	S	.	.	S	Bend	trans	-96.6	131.3	179.8	-74.4	165.5	0	0	0	110.8	T333 D340 V420 I423	T333-L336 HydrophobicContact CG2-CD1 4.12Å; T333-L336 PolarHBondContact O-N 2.95Å; T333-L336 VanDerWaalsContact O-N 3.08Å; L336-D340 HydrophobicContact CD2-CB 4.29Å; L336-V420 HydrophobicContact CD1-CB 4.43Å; L336-V420 HydrophobicContact CD1-CG1 3.81Å; L336-I423 HydrophobicContact CD1-CD1 3.95Å; L336-I423 HydrophobicContact CD1-CG1 4.32Å; L336-I423 HydrophobicContact CD2-CD1 3.81Å; L336-I423 HydrophobicContact CG-CD1 4.26Å
337	D	85.2	Confident	88.4	Confident	96 Å²	96	76.3 Å²	76.3	51%	0.513	39%	0.39	S	S	.	.			trans	-60.6	151.1	169.2	-73.9	-18.7	0	0	0	111	K339 D340 R341	D337-K339 HydrophobicContact CB-CG 4Å; D337-K339 PolarHBondContact O-N 3.15Å; D337-K339 WeakPolarHBondContact OD2-CE 3.41Å; D337-K339 IonicContact OD2-NZ 3.44Å; D337-D340 PolarHBondContact O-N 3.48Å; D337-R341 PolarHBondContact O-N 2.92Å
338	Q	83.6	Confident	88.6	Confident	168 Å²	168	71.3 Å²	71.3	79%	0.785	37%	0.369	S	S	*	.	H	α-helix	trans	-57.3	-37.6	-179.1	-172.8	172.8	9	0	0	112.9	D340 R341 Q342	Q338-D340 VanDerWaalsContact C-N 3.27Å; Q338-D340 PolarHBondContact O-N 2.98Å; Q338-R341 PolarHBondContact O-N 3.29Å; Q338-Q342 PolarHBondContact O-N 3.34Å; Q338-Q342 VanDerWaalsContact O-N 3.15Å
339	K	85.4	Confident	89	Confident	145 Å²	145	68.2 Å²	68.2	63%	0.63	35%	0.35	S	S	*	.	H	α-helix	trans	-63.9	-29.1	176.7	70.2	-174.3	178.3	-176.7	0	113.3	D337	D337-K339 HydrophobicContact CB-CG 4Å; D337-K339 PolarHBondContact O-N 3.15Å; D337-K339 WeakPolarHBondContact OD2-CE 3.41Å; D337-K339 IonicContact OD2-NZ 3.44Å
340	D	84.3	Confident	89.4	Confident	44 Å²	44	66 Å²	66	24%	0.235	34%	0.342	C	S	.	.	H	α-helix	trans	-93.1	-19.9	179.6	-70.3	-63.7	0	0	0	111.6	L336 D337 Q338 F343 K366 V420	L336-D340 HydrophobicContact CD2-CB 4.29Å; D337-D340 PolarHBondContact O-N 3.48Å; Q338-D340 VanDerWaalsContact C-N 3.27Å; Q338-D340 PolarHBondContact O-N 2.98Å; D340-F343 WeakPolarHBondContact O-CE1 3.41Å; D340-K366 IonicContact OD1-NZ 2.74Å; D340-K366 PolarHBondContact OD1-NZ 3.16Å; D340-V420 VanDerWaalsContact O-CG2 3.28Å; D340-V420 WeakPolarHBondContact O-CG2 3.38Å
341	R	89.4	Confident	89.9	Confident	119 Å²	119	63.4 Å²	63.4	45%	0.449	33%	0.326	S	S	.	.	H	α-helix	trans	-76.1	-39.9	174.2	-169.5	178.4	-179.9	-172.5	-1.1	112.5	T333 D337 Q338 T419 V420	T333-R341 PolarHBondContact OG1-NE 2.86Å; D337-R341 PolarHBondContact O-N 2.92Å; Q338-R341 PolarHBondContact O-N 3.29Å; R341-T419 CarbonylContact O-C 3.58Å; R341-T419 WeakPolarHBondContact O-CA 3.41Å; R341-V420 PolarHBondContact O-N 3.28Å
342	Q	93.9	Very high	90.2	Very high	113 Å²	113	65.3 Å²	65.3	53%	0.528	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	125.4	179.9	-69.8	-176.9	-0.1	0	0	111.2	Q338 V418 T419	Q338-Q342 PolarHBondContact O-N 3.34Å; Q338-Q342 VanDerWaalsContact O-N 3.15Å; Q342-V418 WeakPolarHBondContact CA-O 3.22Å; Q342-T419 HydrophobicContact CG-CG2 3.94Å
343	F	95.2	Very high	90.7	Very high	33 Å²	33	63.2 Å²	63.2	15%	0.145	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	160.1	179.9	53.8	-93.3	0	0	0	112.1	D340 A345 V358 L360 I368 V418 V420	D340-F343 WeakPolarHBondContact O-CE1 3.41Å; F343-A345 HydrophobicContact CD2-CB 4.05Å; F343-A345 HydrophobicContact CE2-CB 4.14Å; F343-V358 HydrophobicContact CE2-CG2 4.41Å; F343-L360 HydrophobicContact CD2-CD2 3.38Å; F343-L360 HydrophobicContact CE2-CD2 3.53Å; F343-L360 HydrophobicContact CG-CD2 4.12Å; F343-L360 HydrophobicContact CZ-CD2 4.36Å; F343-I368 HydrophobicContact CZ-CD1 4.02Å; F343-V418 HydrophobicContact CD2-CB 4.02Å; F343-V418 HydrophobicContact CD2-CG2 4.3Å; F343-V418 HydrophobicContact CE1-CB 4.44Å; F343-V418 HydrophobicContact CE1-CG1 4.25Å; F343-V418 HydrophobicContact CE2-CB 3.64Å; F343-V418 HydrophobicContact CE2-CG1 3.92Å; F343-V418 HydrophobicContact CE2-CG2 3.83Å; F343-V418 HydrophobicContact CZ-CB 3.88Å; F343-V418 HydrophobicContact CZ-CG1 3.66Å; F343-V418 HydrophobicContact CZ-CG2 4.43Å; F343-V418 PolarHBondContact N-O 3.07Å; F343-V418 VanDerWaalsContact N-O 3.09Å; F343-V418 PolarHBondContact O-N 2.95Å; F343-V420 HydrophobicContact CE1-CG2 4.03Å
344	V	96.1	Very high	91.2	Very high	59 Å²	59	63.6 Å²	63.6	36%	0.358	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.5	171.3	-176.5	0	0	0	0	108.4	K415 V416 N417	V344-K415 HydrophobicContact CG1-CB 4.12Å; V344-V416 WeakPolarHBondContact CA-O 3.46Å; V344-N417 WeakPolarHBondContact CG2-OD1 3.27Å
345	A	96.7	Very high	92.1	Very high	1 Å²	1	61 Å²	61	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.3	-179.4	0	0	0	0	0	111.7	F343 V358 K359 L360 K415 V416	F343-A345 HydrophobicContact CD2-CB 4.05Å; F343-A345 HydrophobicContact CE2-CB 4.14Å; A345-V358 HydrophobicContact CB-CB 3.64Å; A345-V358 HydrophobicContact CB-CG1 4.44Å; A345-V358 HydrophobicContact CB-CG2 3.69Å; A345-K359 WeakPolarHBondContact CA-O 3.2Å; A345-L360 HydrophobicContact CB-CD2 3.95Å; A345-K415 CarbonylContact O-C 3.55Å; A345-K415 WeakPolarHBondContact O-CA 3.47Å; A345-V416 PolarHBondContact N-O 3.31Å; A345-V416 PolarHBondContact O-N 3.5Å
346	K	97.8	Very high	92.8	Very high	71 Å²	71	53.3 Å²	53.3	31%	0.309	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.5	174.8	-172.7	-178.8	179.4	-177.5	0	109.5	M348 V358 K359 G413 K414	K346-M348 HydrophobicContact CB-SD 4.19Å; K346-M348 HydrophobicContact CD-SD 3.87Å; K346-M348 HydrophobicContact CG-SD 3.86Å; K346-M348 PolarHBondContact O-N 3.09Å; K346-V358 CarbonylContact O-C 3.46Å; K346-V358 VanDerWaalsContact O-CA 3.24Å; K346-V358 WeakPolarHBondContact O-CA 3.21Å; K346-K359 PolarHBondContact N-O 3.09Å; K346-K359 PolarHBondContact O-N 3.43Å; K346-G413 WeakPolarHBondContact CE-O 3.22Å; K346-K414 WeakPolarHBondContact CA-O 3.27Å
347	V	97.9	Very high	93.5	Very high	1 Å²	1	52 Å²	52	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.1	177.2	-179.5	0	0	0	0	109.7	L356 V358 L411 G413 K414 V416	V347-L356 HydrophobicContact CG1-CD2 4.26Å; V347-V358 HydrophobicContact CG2-CG1 4.2Å; V347-L411 HydrophobicContact CB-CB 4.41Å; V347-L411 WeakPolarHBondContact CB-O 3.31Å; V347-L411 HydrophobicContact CG1-CB 4.21Å; V347-L411 HydrophobicContact CG2-CB 4.24Å; V347-G413 WeakPolarHBondContact O-CA 3.27Å; V347-G413 PolarHBondContact O-N 2.98Å; V347-K414 PolarHBondContact N-O 3.43Å; V347-V416 HydrophobicContact CG2-CB 4.38Å; V347-V416 HydrophobicContact CG2-CG1 3.69Å; V347-V416 HydrophobicContact CG2-CG2 3.7Å
348	M	97.1	Very high	94	Very high	13 Å²	13	47.5 Å²	47.5	6%	0.064	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-29.3	-176	-56.2	-51.7	-63.8	0	0	112.5	K346 V357 K359 Y365 I412 E588	K346-M348 HydrophobicContact CB-SD 4.19Å; K346-M348 HydrophobicContact CD-SD 3.87Å; K346-M348 HydrophobicContact CG-SD 3.86Å; K346-M348 PolarHBondContact O-N 3.09Å; M348-V357 PolarHBondContact N-O 3.41Å; M348-K359 HydrophobicContact CG-CB 3.56Å; M348-K359 HydrophobicContact SD-CB 3.91Å; M348-Y365 HydrophobicContact CB-CE1 4.19Å; M348-Y365 HydrophobicContact CG-CD1 4.35Å; M348-Y365 HydrophobicContact CG-CE1 3.85Å; M348-I412 WeakPolarHBondContact O-CD1 3.15Å; M348-E588 HydrophobicContact CE-CB 3.78Å; M348-E588 HydrophobicContact CE-CG 3.55Å
349	Q	97.6	Very high	94.6	Very high	66 Å²	66	41.9 Å²	41.9	31%	0.308	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	140.3	176.8	-170.4	-177.2	-4.2	0	0	110.2	V351 L356 V357 L591	Q349-V351 HydrophobicContact CG-CG2 4.26Å; Q349-L356 CarbonylContact O-C 3.56Å; Q349-L356 WeakPolarHBondContact O-CA 3.18Å; Q349-V357 HydrophobicContact CB-CB 3.91Å; Q349-V357 HydrophobicContact CB-CG2 4.04Å; Q349-V357 PolarHBondContact N-O 3.47Å; Q349-V357 PolarHBondContact O-N 3.11Å; Q349-L591 HydrophobicContact CB-CD2 4.16Å; Q349-L591 HydrophobicContact CG-CD2 4.12Å
350	V	97.8	Very high	95.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.9	164.4	179.3	0	0	0	0	108.3	N352 L356 R404 L407 Q592	V350-N352 WeakPolarHBondContact CG1-O 3.33Å; V350-L356 HydrophobicContact CB-CD2 4.29Å; V350-L356 HydrophobicContact CG1-CD2 4.26Å; V350-L356 HydrophobicContact CG2-CD2 3.85Å; V350-R404 HydrophobicContact CG1-CG 4.44Å; V350-L407 HydrophobicContact CB-CB 4.49Å; V350-L407 HydrophobicContact CG1-CB 3.59Å; V350-L407 HydrophobicContact CG1-CD1 3.77Å; V350-L407 HydrophobicContact CG1-CG 4.36Å; V350-L407 HydrophobicContact CG2-CB 4.08Å; V350-Q592 PolarHBondContact O-NE2 3.44Å
351	V	94.8	Very high	95.4	Very high	47 Å²	47	40.6 Å²	40.6	29%	0.285	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	105.2	179.2	-178.2	0	0	0	0	107.7	Q349 A353 A355 V357	Q349-V351 HydrophobicContact CG-CG2 4.26Å; V351-A353 PolarHBondContact O-N 3.5Å; V351-A355 HydrophobicContact CB-CB 3.89Å; V351-A355 HydrophobicContact CG1-CB 4.34Å; V351-A355 PolarHBondContact N-O 3.42Å; V351-A355 PolarHBondContact O-N 3.23Å; V351-V357 HydrophobicContact CG2-CG2 3.9Å
352	N	91.4	Very high	95.5	Very high	73 Å²	73	39.2 Å²	39.2	39%	0.39	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	-119	-174.2	-59.2	-36.1	0	0	0	111.8	V350 M400 R404	V350-N352 WeakPolarHBondContact CG1-O 3.33Å; N352-M400 HydrophobicContact CB-SD 3.86Å; N352-R404 WeakPolarHBondContact O-CA 3.43Å; N352-R404 VanDerWaalsContact O-CB 3.27Å; N352-R404 WeakPolarHBondContact O-CB 3.43Å; N352-R404 WeakPolarHBondContact O-CG 3.47Å
353	A	94	Very high	95.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-1.1	-171.1	0	0	0	0	0	114.5	V351 P375 M400 A403 L455	V351-A353 PolarHBondContact O-N 3.5Å; A353-P375 HydrophobicContact CB-CB 3.72Å; A353-M400 HydrophobicContact CB-CE 4.48Å; A353-M400 HydrophobicContact CB-SD 3.63Å; A353-A403 HydrophobicContact CB-CB 3.49Å; A353-A403 VanDerWaalsContact CB-CB 3.49Å; A353-L455 WeakPolarHBondContact O-CD1 3.4Å
354	D	93.6	Very high	95.1	Very high	19 Å²	19	38.5 Å²	38.5	10%	0.102	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136	-2.1	-176.3	68.5	-34.8	0	0	0	114.4	H369 L370 P375	D354-H369 CarbonylContact O-C 3.54Å; D354-H369 VanDerWaalsContact O-CA 3.25Å; D354-H369 WeakPolarHBondContact O-CA 3.16Å; D354-L370 PolarHBondContact O-N 3.45Å; D354-P375 HydrophobicContact CB-CB 4.02Å; D354-P375 HydrophobicContact CB-CG 4Å; D354-P375 WeakPolarHBondContact OD2-CD 3.46Å
355	A	95.8	Very high	94.9	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.017	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.2	-178.1	0	0	0	0	0	112.9	V351 I368	V351-A355 HydrophobicContact CB-CB 3.89Å; V351-A355 HydrophobicContact CG1-CB 4.34Å; V351-A355 PolarHBondContact N-O 3.42Å; V351-A355 PolarHBondContact O-N 3.23Å; A355-I368 CarbonylContact C-O 3.54Å; A355-I368 VanDerWaalsContact CA-O 3.3Å; A355-I368 WeakPolarHBondContact CA-O 3.5Å
356	L	97.5	Very high	94.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.7	-179.4	-57.1	175.5	0	0	0	109.2	V347 Q349 V350 V358 T367 I368 L411 V444	V347-L356 HydrophobicContact CG1-CD2 4.26Å; Q349-L356 CarbonylContact O-C 3.56Å; Q349-L356 WeakPolarHBondContact O-CA 3.18Å; V350-L356 HydrophobicContact CB-CD2 4.29Å; V350-L356 HydrophobicContact CG1-CD2 4.26Å; V350-L356 HydrophobicContact CG2-CD2 3.85Å; L356-V358 HydrophobicContact CB-CG1 4.17Å; L356-T367 CarbonylContact O-C 3.6Å; L356-T367 WeakPolarHBondContact O-CA 3.44Å; L356-I368 PolarHBondContact N-O 3.48Å; L356-I368 PolarHBondContact O-N 2.92Å; L356-L411 HydrophobicContact CD1-CD1 3.86Å; L356-L411 HydrophobicContact CD2-CD1 4Å; L356-V444 HydrophobicContact CD1-CG1 4.16Å; L356-V444 HydrophobicContact CD1-CG2 4.31Å
357	V	97.4	Very high	94.6	Very high	22 Å²	22	42.1 Å²	42.1	13%	0.133	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.9	163.6	-175.1	0	0	0	0	107.5	M348 Q349 V351 Y365 K366	M348-V357 PolarHBondContact N-O 3.41Å; Q349-V357 HydrophobicContact CB-CB 3.91Å; Q349-V357 HydrophobicContact CB-CG2 4.04Å; Q349-V357 PolarHBondContact N-O 3.47Å; Q349-V357 PolarHBondContact O-N 3.11Å; V351-V357 HydrophobicContact CG2-CG2 3.9Å; V357-Y365 HydrophobicContact CG1-CD1 4Å; V357-K366 WeakPolarHBondContact CA-O 3.16Å
358	V	97.1	Very high	94.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.2	-178.1	-56.2	0	0	0	0	110.9	F343 A345 K346 V347 L356 Y365 K366 I368	F343-V358 HydrophobicContact CE2-CG2 4.41Å; A345-V358 HydrophobicContact CB-CB 3.64Å; A345-V358 HydrophobicContact CB-CG1 4.44Å; A345-V358 HydrophobicContact CB-CG2 3.69Å; K346-V358 CarbonylContact O-C 3.46Å; K346-V358 VanDerWaalsContact O-CA 3.24Å; K346-V358 WeakPolarHBondContact O-CA 3.21Å; V347-V358 HydrophobicContact CG2-CG1 4.2Å; L356-V358 HydrophobicContact CB-CG1 4.17Å; V358-Y365 CarbonylContact O-C 3.47Å; V358-Y365 WeakPolarHBondContact O-CA 3.26Å; V358-K366 HydrophobicContact CG2-CB 4.34Å; V358-K366 PolarHBondContact N-O 2.85Å; V358-K366 PolarHBondContact O-N 3.42Å; V358-I368 HydrophobicContact CG2-CG1 3.97Å
359	K	96.4	Very high	94.5	Very high	50 Å²	50	42.8 Å²	42.8	22%	0.217	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.4	172.5	-177.2	174.5	-179.4	175.9	0	109.1	A345 K346 M348 E364 Y365 E588	A345-K359 WeakPolarHBondContact CA-O 3.2Å; K346-K359 PolarHBondContact N-O 3.09Å; K346-K359 PolarHBondContact O-N 3.43Å; M348-K359 HydrophobicContact CG-CB 3.56Å; M348-K359 HydrophobicContact SD-CB 3.91Å; K359-E364 WeakPolarHBondContact CA-O 3.29Å; K359-Y365 HydrophobicContact CB-CD1 4.41Å; K359-Y365 HydrophobicContact CB-CE1 4.21Å; K359-Y365 HydrophobicContact CD-CE1 4.47Å; K359-Y365 HydrophobicContact CD-CE2 4.39Å; K359-E588 IonicContact NZ-OE1 3.39Å; K359-E588 PolarHBondContact NZ-OE1 3.18Å; K359-E588 IonicContact NZ-OE2 3.81Å; K359-E588 PolarHBondContact NZ-OE2 3.14Å
360	L	94.7	Very high	94.5	Very high	23 Å²	23	40 Å²	40	12%	0.12	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	164.3	175.2	-60.7	-176.6	0	0	0	110.7	F343 A345 S362 G363 E364 K366	F343-L360 HydrophobicContact CD2-CD2 3.38Å; F343-L360 HydrophobicContact CE2-CD2 3.53Å; F343-L360 HydrophobicContact CG-CD2 4.12Å; F343-L360 HydrophobicContact CZ-CD2 4.36Å; A345-L360 HydrophobicContact CB-CD2 3.95Å; L360-S362 WeakPolarHBondContact CB-OG 3.35Å; L360-S362 PolarHBondContact O-N 3.4Å; L360-G363 PolarHBondContact O-N 2.84Å; L360-E364 HydrophobicContact CD1-CB 4.27Å; L360-E364 PolarHBondContact N-O 2.89Å; L360-K366 HydrophobicContact CD1-CD 3.89Å; L360-K366 HydrophobicContact CD1-CG 4.21Å
361	N	90.8	Very high	94.4	Very high	138 Å²	138	39.9 Å²	39.9	74%	0.738	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23	173.4	-68	-21.4	0	0	0	112.8	G363	N361-G363 PolarHBondContact O-N 3.17Å
362	S	91	Very high	94.4	Very high	91 Å²	91	37.7 Å²	37.7	64%	0.636	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.2	172.4	56.5	0	0	0	0	113.7	L360 E364	L360-S362 WeakPolarHBondContact CB-OG 3.35Å; L360-S362 PolarHBondContact O-N 3.4Å; S362-E364 VanDerWaalsContact C-N 3.33Å; S362-E364 WeakPolarHBondContact OG-CB 3.25Å; S362-E364 PolarHBondContact OG-N 3.12Å
363	G	89.5	Confident	94.7	Very high	32 Å²	32	34.5 Å²	34.5	33%	0.33	19%	0.188	S	C	.	.	S	Bend	trans	90	-9.5	-171.3	0	0	0	0	0	114.2	L360 N361	L360-G363 PolarHBondContact O-N 2.84Å; N361-G363 PolarHBondContact O-N 3.17Å
364	E	92.4	Very high	94.7	Very high	98 Å²	98	38.8 Å²	38.8	46%	0.458	21%	0.205	S	C	.	.			trans	-69.9	144.5	178.2	-170.2	-166.3	157.1	0	0	112	K359 L360 S362 K366	K359-E364 WeakPolarHBondContact CA-O 3.29Å; L360-E364 HydrophobicContact CD1-CB 4.27Å; L360-E364 PolarHBondContact N-O 2.89Å; S362-E364 VanDerWaalsContact C-N 3.33Å; S362-E364 WeakPolarHBondContact OG-CB 3.25Å; S362-E364 PolarHBondContact OG-N 3.12Å; E364-K366 WeakPolarHBondContact OE1-CE 3.43Å
365	Y	92.4	Very high	94.8	Very high	82 Å²	82	38.4 Å²	38.4	32%	0.322	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.6	175.6	-71.5	-97.1	0	0	0	110.8	M348 V357 V358 K359 L584 E588	M348-Y365 HydrophobicContact CB-CE1 4.19Å; M348-Y365 HydrophobicContact CG-CD1 4.35Å; M348-Y365 HydrophobicContact CG-CE1 3.85Å; V357-Y365 HydrophobicContact CG1-CD1 4Å; V358-Y365 CarbonylContact O-C 3.47Å; V358-Y365 WeakPolarHBondContact O-CA 3.26Å; K359-Y365 HydrophobicContact CB-CD1 4.41Å; K359-Y365 HydrophobicContact CB-CE1 4.21Å; K359-Y365 HydrophobicContact CD-CE1 4.47Å; K359-Y365 HydrophobicContact CD-CE2 4.39Å; Y365-L584 HydrophobicContact CE2-CD1 4.19Å; Y365-L584 WeakPolarHBondContact OH-CD1 3.48Å; Y365-E588 VanDerWaalsContact OH-CD 3.24Å; Y365-E588 WeakPolarHBondContact OH-CG 3.47Å; Y365-E588 PolarHBondContact OH-OE1 3.44Å
366	K	93.2	Very high	94.7	Very high	51 Å²	51	38.5 Å²	38.5	22%	0.222	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.5	174.1	-70.3	-167.9	-179.9	178.7	0	111.2	D340 V357 V358 L360 E364 I368	D340-K366 IonicContact OD1-NZ 2.74Å; D340-K366 PolarHBondContact OD1-NZ 3.16Å; V357-K366 WeakPolarHBondContact CA-O 3.16Å; V358-K366 HydrophobicContact CG2-CB 4.34Å; V358-K366 PolarHBondContact N-O 2.85Å; V358-K366 PolarHBondContact O-N 3.42Å; L360-K366 HydrophobicContact CD1-CD 3.89Å; L360-K366 HydrophobicContact CD1-CG 4.21Å; E364-K366 WeakPolarHBondContact OE1-CE 3.43Å; K366-I368 HydrophobicContact CB-CD1 4.49Å
367	T	95.3	Very high	94.2	Very high	74 Å²	74	44.6 Å²	44.6	45%	0.454	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.2	170.9	-59.2	0	0	0	0	109.7	L356	L356-T367 CarbonylContact O-C 3.6Å; L356-T367 WeakPolarHBondContact O-CA 3.44Å
368	I	95.7	Very high	93.2	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.9	-178.1	-57.2	-62.6	0	0	0	109.1	F343 A355 L356 V358 K366 V418 T440 A442 V444	F343-I368 HydrophobicContact CZ-CD1 4.02Å; A355-I368 CarbonylContact C-O 3.54Å; A355-I368 VanDerWaalsContact CA-O 3.3Å; A355-I368 WeakPolarHBondContact CA-O 3.5Å; L356-I368 PolarHBondContact N-O 3.48Å; L356-I368 PolarHBondContact O-N 2.92Å; V358-I368 HydrophobicContact CG2-CG1 3.97Å; K366-I368 HydrophobicContact CB-CD1 4.49Å; I368-V418 HydrophobicContact CG1-CG1 4.44Å; I368-V418 HydrophobicContact CG2-CG1 4.08Å; I368-T440 HydrophobicContact CD1-CG2 3.61Å; I368-A442 HydrophobicContact CG2-CB 3.5Å; I368-A442 VanDerWaalsContact CG2-CB 3.5Å; I368-V444 HydrophobicContact CG2-CG2 4.35Å
369	H	96.8	Very high	91.3	Very high	27 Å²	27	54.4 Å²	54.4	13%	0.125	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.8	173.5	-64.9	72.1	0	0	0	110.4	D354 S371 T440 C441 A442	D354-H369 CarbonylContact O-C 3.54Å; D354-H369 VanDerWaalsContact O-CA 3.25Å; D354-H369 WeakPolarHBondContact O-CA 3.16Å; H369-S371 PolarHBondContact O-N 3.32Å; H369-T440 PolarHBondContact N-O 3.3Å; H369-C441 CarbonylContact O-C 3.58Å; H369-C441 WeakPolarHBondContact O-CA 3.38Å; H369-A442 PolarHBondContact O-N 3.43Å
370	L	97.1	Very high	89.2	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	120.4	175.2	-63.1	179.4	0	0	0	109.6	D354 I373 V444 I451 A452 L455	D354-L370 PolarHBondContact O-N 3.45Å; L370-I373 HydrophobicContact CB-CD1 3.54Å; L370-I373 HydrophobicContact CB-CG1 3.75Å; L370-I373 HydrophobicContact CD1-CD1 3.71Å; L370-I373 HydrophobicContact CG-CD1 4.27Å; L370-V444 HydrophobicContact CD2-CB 3.86Å; L370-V444 HydrophobicContact CD2-CG2 3.69Å; L370-I451 HydrophobicContact CD1-CG2 3.92Å; L370-I451 HydrophobicContact CD2-CB 4.49Å; L370-I451 HydrophobicContact CD2-CG2 4.25Å; L370-A452 HydrophobicContact CB-CB 4.35Å; L370-L455 HydrophobicContact CD1-CD1 3.57Å
371	S	96	Very high	87	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	141.3	-176.5	58.7	0	0	0	0	112.6	H369 I373 D421 A442 T443 S474	H369-S371 PolarHBondContact O-N 3.32Å; S371-I373 PolarHBondContact O-N 3.09Å; S371-I373 VanDerWaalsContact O-N 3.1Å; S371-D421 VanDerWaalsContact CB-OD2 3.26Å; S371-D421 WeakPolarHBondContact CB-OD2 3.44Å; S371-D421 PolarHBondContact OG-OD2 2.89Å; S371-A442 PolarHBondContact N-O 3.39Å; S371-A442 PolarHBondContact OG-O 3.42Å; S371-T443 PolarHBondContact OG-OG1 3.37Å; S371-S474 WeakPolarHBondContact OG-CB 3.31Å; S371-S474 PolarHBondContact OG-OG 3Å
372	S	95.4	Very high	85	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	18	170.3	-60.3	0	0	0	0	117.5	Y422 I464 Y466 R473 S474	S372-Y422 PolarHBondContact N-OH 2.83Å; S372-I464 PolarHBondContact O-N 2.84Å; S372-Y466 WeakPolarHBondContact CA-OH 3.28Å; S372-Y466 VanDerWaalsContact OG-CE2 3.31Å; S372-Y466 WeakPolarHBondContact OG-CE2 3.26Å; S372-Y466 PolarHBondContact OG-OH 3.05Å; S372-R473 WeakPolarHBondContact OG-CA 3.32Å; S372-S474 PolarHBondContact OG-N 2.99Å
373	I	96.3	Very high	82.8	Confident	6 Å²	6	66.9 Å²	66.9	3%	0.031	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	158.6	170.6	68.1	169.7	0	0	0	111.1	L370 S371 A452 L455 V456 A461 T462 I464 L480	L370-I373 HydrophobicContact CB-CD1 3.54Å; L370-I373 HydrophobicContact CB-CG1 3.75Å; L370-I373 HydrophobicContact CD1-CD1 3.71Å; L370-I373 HydrophobicContact CG-CD1 4.27Å; S371-I373 PolarHBondContact O-N 3.09Å; S371-I373 VanDerWaalsContact O-N 3.1Å; I373-A452 HydrophobicContact CD1-CB 4.04Å; I373-A452 HydrophobicContact CG2-CB 3.96Å; I373-L455 HydrophobicContact CD1-CD1 3.89Å; I373-V456 HydrophobicContact CB-CG2 4.41Å; I373-V456 HydrophobicContact CG2-CG2 3.57Å; I373-A461 HydrophobicContact CB-CB 4.26Å; I373-A461 HydrophobicContact CD1-CB 3.97Å; I373-T462 CarbonylContact C-O 3.57Å; I373-T462 WeakPolarHBondContact CA-O 3.4Å; I373-I464 WeakPolarHBondContact O-CD1 3.4Å; I373-L480 HydrophobicContact CG2-CD1 4.12Å; I373-L480 HydrophobicContact CG2-CD2 4.43Å
374	R	94.5	Very high	80.7	Confident	91 Å²	91	71.6 Å²	71.6	34%	0.343	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.2	166.4	-60.1	-168.7	-179.1	99.1	-3.6	109.4	A461 T462 I464	R374-A461 VanDerWaalsContact O-CA 3.31Å; R374-A461 WeakPolarHBondContact O-CA 3.5Å; R374-A461 WeakPolarHBondContact O-CB 3.36Å; R374-T462 PolarHBondContact N-O 3.46Å; R374-T462 PolarHBondContact O-N 2.84Å; R374-I464 HydrophobicContact CG-CD1 4.06Å; R374-I464 HydrophobicContact CG-CG1 3.53Å
375	P	95	Very high	78.5	Confident	11 Å²	11	73.7 Å²	73.7	7%	0.071	36%	0.358	C	S	.	.			trans	-67	164.8	169.2	33.4	-35.8	0	0	0	109.4	A353 D354 M400	A353-P375 HydrophobicContact CB-CB 3.72Å; D354-P375 HydrophobicContact CB-CB 4.02Å; D354-P375 HydrophobicContact CB-CG 4Å; D354-P375 WeakPolarHBondContact OD2-CD 3.46Å; P375-M400 HydrophobicContact CB-CE 4.22Å
376	P	94	Very high	76.3	Confident	3 Å²	3	77.8 Å²	77.8	2%	0.019	39%	0.385	C	S	.	.			trans	-53.1	140.9	169.1	-22.7	33.6	0	0	0	111.4	I397 P398 M400 A403 L460 L494	P376-I397 HydrophobicContact CB-CG2 3.88Å; P376-P398 WeakPolarHBondContact CB-O 3.44Å; P376-M400 HydrophobicContact CB-CE 4.4Å; P376-M400 WeakPolarHBondContact O-CE 3.49Å; P376-A403 HydrophobicContact CG-CB 4.49Å; P376-L460 VanDerWaalsContact CD-O 3.31Å; P376-L460 WeakPolarHBondContact CD-O 3.49Å; P376-L460 WeakPolarHBondContact CG-O 3.37Å; P376-L494 HydrophobicContact CB-CD1 4.22Å; P376-L494 HydrophobicContact CB-CD2 4.19Å; P376-L494 HydrophobicContact CG-CD1 4.11Å
377	R	87.3	Confident	74.2	Confident	129 Å²	129	84.2 Å²	84.2	49%	0.487	41%	0.413	S	S	.	.			trans	-143.4	149.2	178.8	-65.8	179.4	-176.6	-167.4	-2.9	109.6	E379	R377-E379 HydrophobicContact CB-CG 4.46Å; R377-E379 PolarHBondContact O-N 2.98Å
378	N	76.9	Confident	72.1	Confident	58 Å²	58	86.7 Å²	86.7	31%	0.31	42%	0.424	S	S	.	.			trans	-83.6	91.5	165.9	-85.6	0.2	0	0	0	109.2	G380 P398	N378-G380 PolarHBondContact O-N 2.89Å; N378-P398 WeakPolarHBondContact OD1-CD 3.46Å
379	E	56.8	Low	70.2	Confident	171 Å²	171	97.5 Å²	97.5	80%	0.799	47%	0.471	S	S	*	.			trans	-83.3	105.5	169.7	-67.7	-172.9	173.8	0	0	108.7	R377	R377-E379 HydrophobicContact CB-CG 4.46Å; R377-E379 PolarHBondContact O-N 2.98Å
380	G	52.6	Low	69.1	Low	73 Å²	73	106.1 Å²	106.1	75%	0.753	50%	0.502	S	S	*	.	S	Bend	trans	144.6	-19.8	173.7	0	0	0	0	0	117.4	N378	N378-G380 PolarHBondContact O-N 2.89Å
381	E	49.2	Very low	68.5	Low	147 Å²	147	111.2 Å²	111.2	69%	0.687	52%	0.524	S	S	*	.			trans	-111.5	17.8	-175.2	-73.5	-168.1	154.3	0	0	114.5	K383 N384	E381-K383 PolarHBondContact O-N 3.07Å; E381-N384 PolarHBondContact O-N 2.92Å
382	E	47.8	Very low	68.1	Low	136 Å²	136	114.6 Å²	114.6	64%	0.636	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-66.1	-10.7	179	-66.6	-155.7	130.1	0	0	114	N384 K385	E382-N384 PolarHBondContact O-N 2.84Å; E382-K385 IonicContact OE1-NZ 2.71Å; E382-K385 PolarHBondContact OE1-NZ 3.3Å
383	K	44.4	Very low	67.9	Low	208 Å²	208	117.5 Å²	117.5	90%	0.904	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-80.4	-5.7	179.6	-72.6	-170.9	177	-177.7	0	115.4	E381	E381-K383 PolarHBondContact O-N 3.07Å
384	N	44.9	Very low	67.7	Low	130 Å²	130	118.3 Å²	118.3	70%	0.695	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-123.5	20.8	-179.1	-94.8	-15.4	0	0	0	114.1	E381 E382 D386 K387	E381-N384 PolarHBondContact O-N 2.92Å; E382-N384 PolarHBondContact O-N 2.84Å; N384-D386 PolarHBondContact O-N 3.01Å; N384-K387 PolarHBondContact O-N 3.33Å
385	K	47.8	Very low	67.6	Low	143 Å²	143	114.8 Å²	114.8	62%	0.622	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-21	-177	-83.7	179.4	177.8	167.9	0	114.8	E382	E382-K385 IonicContact OE1-NZ 2.71Å; E382-K385 PolarHBondContact OE1-NZ 3.3Å
386	D	45.6	Very low	67.3	Low	167 Å²	167	117.1 Å²	117.1	89%	0.893	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	2.5	-173.7	-76.6	-34.5	0	0	0	116	N384	N384-D386 PolarHBondContact O-N 3.01Å
387	K	48.6	Very low	67.3	Low	186 Å²	186	118 Å²	118	81%	0.809	56%	0.563	S	S	*	*	S	Bend	trans	-113.6	-16.2	-175.4	-77.1	-171.4	177.1	180	0	117.9	N384	N384-K387 PolarHBondContact O-N 3.33Å
388	D	51.4	Low	67.5	Low	127 Å²	127	113.6 Å²	113.6	68%	0.679	55%	0.552	S	S	*	*			trans	-125.6	99.9	-177.3	-115.7	-30.6	0	0	0	112.9	R390	D388-R390 PolarHBondContact O-N 2.92Å
389	K	56.3	Low	68.4	Low	229 Å²	229	112 Å²	112	100%	0.996	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	12	172.7	-78.1	-179	175.5	176.3	0	114.1
390	R	73.3	Confident	70.3	Confident	207 Å²	207	104.2 Å²	104.2	78%	0.781	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-7.5	-168.4	-137.8	175.8	-172.7	178	1.4	114.7	D388 R392	D388-R390 PolarHBondContact O-N 2.92Å; R390-R392 PolarHBondContact O-N 2.81Å
391	F	83.8	Confident	72.4	Confident	113 Å²	113	102.1 Å²	102.1	50%	0.496	48%	0.475	S	S	.	.			trans	-69.3	125.9	-178.7	-176.5	-105.6	0	0	0	112.3	P393 D396 I397	F391-P393 HydrophobicContact CD1-CG 4.23Å; F391-P393 HydrophobicContact CE1-CB 4.38Å; F391-P393 HydrophobicContact CE1-CG 3.82Å; F391-D396 WeakPolarHBondContact CA-OD2 3.45Å; F391-D396 HydrophobicContact CD2-CB 3.78Å; F391-D396 HydrophobicContact CE2-CB 3.62Å; F391-I397 HydrophobicContact CE2-CG1 4.5Å; F391-I397 HydrophobicContact CZ-CD1 4.27Å; F391-I397 HydrophobicContact CZ-CG1 3.8Å
392	R	88.3	Confident	74.7	Confident	71 Å²	71	97.2 Å²	97.2	27%	0.268	45%	0.452	S	S	.	.			trans	-126.4	102	-179.6	-66.2	177.5	-62.8	176	3.9	108.9	R390 L394 Y395 D396 V505	R390-R392 PolarHBondContact O-N 2.81Å; R392-L394 PolarHBondContact O-N 2.78Å; R392-Y395 HydrophobicContact CB-CD2 3.95Å; R392-Y395 PolarHBondContact O-N 3.41Å; R392-D396 PolarHBondContact N-OD2 2.68Å; R392-D396 WeakPolarHBondContact O-CB 3.07Å; R392-D396 PolarHBondContact O-N 3.49Å; R392-V505 VanDerWaalsContact CZ-O 3.26Å; R392-V505 PolarHBondContact NH1-O 2.8Å; R392-V505 PolarHBondContact NH2-O 2.97Å
393	P	90.5	Very high	77	Confident	61 Å²	61	90.8 Å²	90.8	40%	0.396	42%	0.422	S	S	.	.	H	α-helix	trans	-50.3	-38.6	-173.2	-30.4	33.6	0	0	0	115.2	F391 Y395 I397 M400	F391-P393 HydrophobicContact CD1-CG 4.23Å; F391-P393 HydrophobicContact CE1-CB 4.38Å; F391-P393 HydrophobicContact CE1-CG 3.82Å; P393-Y395 VanDerWaalsContact C-N 3.31Å; P393-Y395 PolarHBondContact O-N 2.88Å; P393-I397 HydrophobicContact CB-CD1 3.86Å; P393-I397 WeakPolarHBondContact O-CB 3.24Å; P393-I397 WeakPolarHBondContact O-CG1 3.26Å; P393-I397 PolarHBondContact O-N 2.86Å; P393-M400 WeakPolarHBondContact O-CG 3.49Å
394	L	92.2	Very high	79.5	Confident	24 Å²	24	81 Å²	81	13%	0.126	38%	0.38	C	S	.	.	H	α-helix	trans	-62.7	-34.6	-178.6	-179.4	59.3	0	0	0	113.3	R392 M400 F401 R404	R392-L394 PolarHBondContact O-N 2.78Å; L394-M400 HydrophobicContact CD1-CG 4.37Å; L394-F401 HydrophobicContact CG-CD2 4.44Å; L394-F401 WeakPolarHBondContact O-CB 3.03Å; L394-F401 PolarHBondContact O-N 2.83Å; L394-R404 HydrophobicContact CD1-CB 3.72Å; L394-R404 HydrophobicContact CD1-CG 3.72Å
395	Y	91.9	Very high	82	Confident	17 Å²	17	76 Å²	76	7%	0.067	35%	0.352	C	S	.	.	H	α-helix	trans	-106.6	-28.1	-172.6	-52.2	-63.5	0	0	0	113.1	R392 P393 F401 H503 V505 L551	R392-Y395 HydrophobicContact CB-CD2 3.95Å; R392-Y395 PolarHBondContact O-N 3.41Å; P393-Y395 VanDerWaalsContact C-N 3.31Å; P393-Y395 PolarHBondContact O-N 2.88Å; Y395-F401 AromaticContact CD1-CD2 3.99Å; Y395-F401 HydrophobicContact CD1-CD2 3.99Å; Y395-F401 AromaticContact CE1-CD2 3.94Å; Y395-F401 HydrophobicContact CE1-CD2 3.94Å; Y395-F401 HydrophobicContact CE1-CE2 4.1Å; Y395-H503 HydrophobicContact CD1-CB 4.49Å; Y395-V505 HydrophobicContact CD1-CB 4.27Å; Y395-V505 HydrophobicContact CD1-CG2 3.6Å; Y395-V505 HydrophobicContact CD2-CB 4.45Å; Y395-V505 HydrophobicContact CE1-CB 4.3Å; Y395-V505 HydrophobicContact CE1-CG1 4.45Å; Y395-V505 HydrophobicContact CE1-CG2 3.71Å; Y395-V505 HydrophobicContact CE2-CB 4.49Å; Y395-V505 HydrophobicContact CE2-CG1 4.48Å; Y395-V505 HydrophobicContact CG-CB 4.34Å; Y395-V505 HydrophobicContact CG-CG2 4.09Å; Y395-L551 HydrophobicContact CE2-CD1 4.05Å
396	D	90.3	Very high	84.4	Confident	59 Å²	59	71.1 Å²	71.1	32%	0.316	33%	0.331	S	S	.	.	H	α-helix	trans	-97.5	-19.6	-171.6	-59.3	-22.4	0	0	0	113.1	F391 R392	F391-D396 WeakPolarHBondContact CA-OD2 3.45Å; F391-D396 HydrophobicContact CD2-CB 3.78Å; F391-D396 HydrophobicContact CE2-CB 3.62Å; R392-D396 PolarHBondContact N-OD2 2.68Å; R392-D396 WeakPolarHBondContact O-CB 3.07Å; R392-D396 PolarHBondContact O-N 3.49Å
397	I	92.4	Very high	86.9	Confident	22 Å²	22	63.2 Å²	63.2	11%	0.113	29%	0.288	C	S	.	.	S	Bend	trans	-81.4	124.7	172.8	-62.6	174.2	0	0	0	108.7	P376 F391 P393 Y399 M400	P376-I397 HydrophobicContact CB-CG2 3.88Å; F391-I397 HydrophobicContact CE2-CG1 4.5Å; F391-I397 HydrophobicContact CZ-CD1 4.27Å; F391-I397 HydrophobicContact CZ-CG1 3.8Å; P393-I397 HydrophobicContact CB-CD1 3.86Å; P393-I397 WeakPolarHBondContact O-CB 3.24Å; P393-I397 WeakPolarHBondContact O-CG1 3.26Å; P393-I397 PolarHBondContact O-N 2.86Å; I397-Y399 PolarHBondContact O-N 3.06Å; I397-M400 HydrophobicContact CB-CB 3.77Å; I397-M400 HydrophobicContact CB-CE 4.49Å; I397-M400 HydrophobicContact CB-CG 4.46Å; I397-M400 HydrophobicContact CD1-CE 4.1Å; I397-M400 HydrophobicContact CG2-CB 4.01Å; I397-M400 HydrophobicContact CG2-CE 4.17Å; I397-M400 VanDerWaalsContact O-CB 3.28Å; I397-M400 WeakPolarHBondContact O-CB 3.14Å; I397-M400 PolarHBondContact O-N 2.86Å; I397-M400 VanDerWaalsContact O-N 3.09Å
398	P	93.3	Very high	89.2	Confident	37 Å²	37	54.6 Å²	54.6	24%	0.24	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	129.1	175.9	-32.6	39	0	0	0	112.8	P376 N378 M400 V500	P376-P398 WeakPolarHBondContact CB-O 3.44Å; N378-P398 WeakPolarHBondContact OD1-CD 3.46Å; P398-M400 PolarHBondContact O-N 3.11Å; P398-V500 HydrophobicContact CB-CG1 3.58Å; P398-V500 HydrophobicContact CG-CG1 3.94Å
399	Y	95.7	Very high	91.4	Very high	25 Å²	25	54.6 Å²	54.6	10%	0.098	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	3.7	177.8	-57.2	-78.8	0	0	0	116.4	I397 E402 A403 L460 G493 L494 V500 P501	I397-Y399 PolarHBondContact O-N 3.06Å; Y399-E402 WeakPolarHBondContact CA-OE2 3.47Å; Y399-A403 VanDerWaalsContact O-CB 3.32Å; Y399-A403 WeakPolarHBondContact O-CB 3.41Å; Y399-A403 PolarHBondContact O-N 3.13Å; Y399-L460 HydrophobicContact CD1-CD2 4.41Å; Y399-G493 VanDerWaalsContact CE2-C 3.49Å; Y399-G493 WeakPolarHBondContact CE2-O 3.33Å; Y399-G493 VanDerWaalsContact CZ-C 3.48Å; Y399-G493 PolarHBondContact OH-O 3.45Å; Y399-L494 HydrophobicContact CD2-CD2 3.81Å; Y399-L494 HydrophobicContact CD2-CG 4.23Å; Y399-V500 HydrophobicContact CE2-CG1 4.39Å; Y399-V500 HydrophobicContact CE2-CG2 4.49Å; Y399-P501 HydrophobicContact CD1-CG 4.48Å; Y399-P501 HydrophobicContact CE1-CG 3.93Å
400	M	96	Very high	93.3	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.03	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-43.9	178.9	179.9	62.1	70	0	0	111.7	N352 A353 P375 P376 P393 L394 I397 P398 E402 A403 R404	N352-M400 HydrophobicContact CB-SD 3.86Å; A353-M400 HydrophobicContact CB-CE 4.48Å; A353-M400 HydrophobicContact CB-SD 3.63Å; P375-M400 HydrophobicContact CB-CE 4.22Å; P376-M400 HydrophobicContact CB-CE 4.4Å; P376-M400 WeakPolarHBondContact O-CE 3.49Å; P393-M400 WeakPolarHBondContact O-CG 3.49Å; L394-M400 HydrophobicContact CD1-CG 4.37Å; I397-M400 HydrophobicContact CB-CB 3.77Å; I397-M400 HydrophobicContact CB-CE 4.49Å; I397-M400 HydrophobicContact CB-CG 4.46Å; I397-M400 HydrophobicContact CD1-CE 4.1Å; I397-M400 HydrophobicContact CG2-CB 4.01Å; I397-M400 HydrophobicContact CG2-CE 4.17Å; I397-M400 VanDerWaalsContact O-CB 3.28Å; I397-M400 WeakPolarHBondContact O-CB 3.14Å; I397-M400 PolarHBondContact O-N 2.86Å; I397-M400 VanDerWaalsContact O-N 3.09Å; P398-M400 PolarHBondContact O-N 3.11Å; M400-E402 VanDerWaalsContact C-N 3.35Å; M400-E402 PolarHBondContact O-N 2.91Å; M400-A403 PolarHBondContact O-N 3.21Å; M400-R404 WeakPolarHBondContact O-CB 3.49Å; M400-R404 PolarHBondContact O-N 2.86Å
401	F	96.1	Very high	94.5	Very high	29 Å²	29	36.6 Å²	36.6	13%	0.127	17%	0.172	C	C	.	.	H	α-helix	trans	-59	-47.4	177.3	-179.4	-100.5	0	0	0	110.9	L394 Y395 A403 R404 E405 H503 Y544	L394-F401 HydrophobicContact CG-CD2 4.44Å; L394-F401 WeakPolarHBondContact O-CB 3.03Å; L394-F401 PolarHBondContact O-N 2.83Å; Y395-F401 AromaticContact CD1-CD2 3.99Å; Y395-F401 HydrophobicContact CD1-CD2 3.99Å; Y395-F401 AromaticContact CE1-CD2 3.94Å; Y395-F401 HydrophobicContact CE1-CD2 3.94Å; Y395-F401 HydrophobicContact CE1-CE2 4.1Å; F401-A403 PolarHBondContact O-N 3.29Å; F401-R404 PolarHBondContact O-N 3.04Å; F401-E405 HydrophobicContact CD1-CG 4.26Å; F401-E405 HydrophobicContact CD2-CG 4.47Å; F401-E405 HydrophobicContact CE1-CG 3.86Å; F401-E405 HydrophobicContact CE2-CG 4.08Å; F401-E405 HydrophobicContact CZ-CG 3.76Å; F401-E405 WeakPolarHBondContact O-CB 3.33Å; F401-E405 WeakPolarHBondContact O-CG 3.46Å; F401-E405 PolarHBondContact O-N 3.35Å; F401-H503 AromaticContact CD1-CD2 3.45Å; F401-H503 VanDerWaalsContact CD1-CD2 3.45Å; F401-H503 WeakPolarHBondContact CD1-CD2 3.25Å; F401-H503 AromaticContact CD1-CE1 3.99Å; F401-H503 AromaticContact CD1-NE2 3.24Å; F401-H503 WeakPolarHBondContact CD1-NE2 3.24Å; F401-H503 AromaticContact CE1-CD2 3.95Å; F401-H503 AromaticContact CE1-NE2 3.97Å; F401-H503 AromaticContact CG-CD2 3.82Å; F401-H503 AromaticContact CG-NE2 3.86Å; F401-Y544 HydrophobicContact CE2-CE1 4.34Å; F401-Y544 HydrophobicContact CZ-CE1 4.14Å
402	E	97.1	Very high	95.1	Very high	45 Å²	45	32.4 Å²	32.4	21%	0.21	16%	0.155	C	C	.	.	H	α-helix	trans	-63.9	-39.8	179	-64.4	92.1	142.5	0	0	112.2	Y399 M400 F406 L460 P501 H503	Y399-E402 WeakPolarHBondContact CA-OE2 3.47Å; M400-E402 VanDerWaalsContact C-N 3.35Å; M400-E402 PolarHBondContact O-N 2.91Å; E402-F406 VanDerWaalsContact O-CB 3.24Å; E402-F406 WeakPolarHBondContact O-CB 3.37Å; E402-F406 PolarHBondContact O-N 3.13Å; E402-L460 HydrophobicContact CB-CD2 3.78Å; E402-P501 WeakPolarHBondContact OE1-CB 3.36Å; E402-P501 VanDerWaalsContact OE1-CG 3.28Å; E402-P501 WeakPolarHBondContact OE1-CG 3.37Å; E402-H503 VanDerWaalsContact CD-CE1 3.48Å; E402-H503 IonicContact OE1-CE1 3.94Å; E402-H503 PolarHBondContact OE1-CE1 3.33Å; E402-H503 IonicContact OE1-NE2 2.66Å; E402-H503 IonicContact OE2-CE1 3.01Å; E402-H503 PolarHBondContact OE2-CE1 2.99Å
403	A	97.6	Very high	95.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.9	-47.8	175.9	0	0	0	0	0	111.7	A353 P376 Y399 M400 F401 F406 L407 L455 L460	A353-A403 HydrophobicContact CB-CB 3.49Å; A353-A403 VanDerWaalsContact CB-CB 3.49Å; P376-A403 HydrophobicContact CG-CB 4.49Å; Y399-A403 VanDerWaalsContact O-CB 3.32Å; Y399-A403 WeakPolarHBondContact O-CB 3.41Å; Y399-A403 PolarHBondContact O-N 3.13Å; M400-A403 PolarHBondContact O-N 3.21Å; F401-A403 PolarHBondContact O-N 3.29Å; A403-F406 PolarHBondContact O-N 3.19Å; A403-L407 WeakPolarHBondContact O-CG 3.2Å; A403-L407 PolarHBondContact O-N 3.1Å; A403-L407 VanDerWaalsContact O-N 3.09Å; A403-L455 HydrophobicContact CB-CD2 4.26Å; A403-L460 HydrophobicContact CB-CB 3.91Å
404	R	97.4	Very high	95.7	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.015	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-42.6	177.2	-178.9	-87.7	-154.8	-102.4	10.5	111.7	V350 N352 L394 M400 F401 L407 R408 E533	V350-R404 HydrophobicContact CG1-CG 4.44Å; N352-R404 WeakPolarHBondContact O-CA 3.43Å; N352-R404 VanDerWaalsContact O-CB 3.27Å; N352-R404 WeakPolarHBondContact O-CB 3.43Å; N352-R404 WeakPolarHBondContact O-CG 3.47Å; L394-R404 HydrophobicContact CD1-CB 3.72Å; L394-R404 HydrophobicContact CD1-CG 3.72Å; M400-R404 WeakPolarHBondContact O-CB 3.49Å; M400-R404 PolarHBondContact O-N 2.86Å; F401-R404 PolarHBondContact O-N 3.04Å; R404-L407 PolarHBondContact O-N 3.37Å; R404-R408 VanDerWaalsContact NH1-CD 3.29Å; R404-R408 VanDerWaalsContact O-CB 3.26Å; R404-R408 WeakPolarHBondContact O-CB 3.33Å; R404-R408 PolarHBondContact O-N 2.85Å; R404-E533 IonicContact CZ-OE1 3.44Å; R404-E533 IonicContact CZ-OE2 2.74Å; R404-E533 IonicContact NE-OE1 3.31Å; R404-E533 IonicContact NE-OE2 3.71Å; R404-E533 IonicContact NH2-OE1 2.74Å; R404-E533 PolarHBondContact NH2-OE1 3.24Å; R404-E533 VanDerWaalsContact NH2-OE1 3.08Å; R404-E533 IonicContact NH2-OE2 3.64Å; R404-E533 PolarHBondContact NH2-OE2 3.1Å
405	E	96.9	Very high	96	Very high	24 Å²	24	37.5 Å²	37.5	11%	0.112	18%	0.178	C	C	.	.	H	α-helix	trans	-67.5	-39.2	177.5	-80.7	-59.5	95.1	0	0	112.5	F401 R408 K409	F401-E405 HydrophobicContact CD1-CG 4.26Å; F401-E405 HydrophobicContact CD2-CG 4.47Å; F401-E405 HydrophobicContact CE1-CG 3.86Å; F401-E405 HydrophobicContact CE2-CG 4.08Å; F401-E405 HydrophobicContact CZ-CG 3.76Å; F401-E405 WeakPolarHBondContact O-CB 3.33Å; F401-E405 WeakPolarHBondContact O-CG 3.46Å; F401-E405 PolarHBondContact O-N 3.35Å; E405-R408 PolarHBondContact O-N 2.9Å; E405-R408 WeakPolarHBondContact OE1-CD 3.32Å; E405-R408 IonicContact OE1-CZ 2.78Å; E405-R408 IonicContact OE1-NE 3.36Å; E405-R408 PolarHBondContact OE1-NE 3.45Å; E405-R408 IonicContact OE1-NH2 3.69Å; E405-R408 IonicContact OE2-CZ 2.71Å; E405-R408 IonicContact OE2-NE 3.66Å; E405-R408 PolarHBondContact OE2-NE 3.14Å; E405-R408 IonicContact OE2-NH2 2.97Å; E405-R408 PolarHBondContact OE2-NH2 3.45Å; E405-K409 WeakPolarHBondContact O-CB 3.5Å; E405-K409 WeakPolarHBondContact O-CG 3.45Å; E405-K409 PolarHBondContact O-N 3.06Å; E405-K409 WeakPolarHBondContact OE2-CE 3.44Å
406	F	97.7	Very high	96.2	Very high	41 Å²	41	36.8 Å²	36.8	18%	0.18	18%	0.175	C	C	.	.	H	α-helix	trans	-58.8	-48.5	173.8	170.4	-101.7	0	0	0	111.4	E402 A403 K410 A454 L455 K458 L460	E402-F406 VanDerWaalsContact O-CB 3.24Å; E402-F406 WeakPolarHBondContact O-CB 3.37Å; E402-F406 PolarHBondContact O-N 3.13Å; A403-F406 PolarHBondContact O-N 3.19Å; F406-K410 HydrophobicContact CE1-CD 4.42Å; F406-K410 HydrophobicContact CE2-CD 4.16Å; F406-K410 HydrophobicContact CZ-CD 3.79Å; F406-K410 WeakPolarHBondContact O-CB 3.27Å; F406-K410 PolarHBondContact O-N 2.94Å; F406-K410 VanDerWaalsContact O-N 3.17Å; F406-A454 HydrophobicContact CE1-CB 4.12Å; F406-A454 HydrophobicContact CZ-CB 3.78Å; F406-L455 HydrophobicContact CD1-CD2 3.56Å; F406-L455 HydrophobicContact CD1-CG 4.04Å; F406-L455 HydrophobicContact CE1-CD2 4.08Å; F406-L455 HydrophobicContact CE1-CG 4.06Å; F406-K458 HydrophobicContact CD2-CD 4.03Å; F406-K458 HydrophobicContact CE2-CD 3.91Å; F406-K458 VanDerWaalsContact CE2-CE 3.46Å; F406-K458 HydrophobicContact CZ-CD 4.29Å; F406-L460 HydrophobicContact CB-CD1 4Å; F406-L460 HydrophobicContact CG-CD1 4.27Å
407	L	97.9	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-47.8	176.8	-72	-178.1	0	0	0	111.6	V350 A403 R404 K410 L411 I451 L455	V350-L407 HydrophobicContact CB-CB 4.49Å; V350-L407 HydrophobicContact CG1-CB 3.59Å; V350-L407 HydrophobicContact CG1-CD1 3.77Å; V350-L407 HydrophobicContact CG1-CG 4.36Å; V350-L407 HydrophobicContact CG2-CB 4.08Å; A403-L407 WeakPolarHBondContact O-CG 3.2Å; A403-L407 PolarHBondContact O-N 3.1Å; A403-L407 VanDerWaalsContact O-N 3.09Å; R404-L407 PolarHBondContact O-N 3.37Å; L407-K410 PolarHBondContact O-N 2.95Å; L407-L411 HydrophobicContact CD2-CD1 3.92Å; L407-L411 WeakPolarHBondContact O-CB 3.4Å; L407-L411 WeakPolarHBondContact O-CG 3.23Å; L407-L411 PolarHBondContact O-N 3.26Å; L407-I451 HydrophobicContact CD2-CG2 3.31Å; L407-L455 HydrophobicContact CD1-CD1 4.18Å; L407-L455 HydrophobicContact CD2-CD1 3.87Å; L407-L455 HydrophobicContact CD2-CD2 4.37Å; L407-L455 HydrophobicContact CD2-CG 4.13Å; L407-L455 HydrophobicContact CG-CD1 4.2Å; L407-L455 HydrophobicContact CG-CD2 4.25Å
408	R	97.6	Very high	96.8	Very high	5 Å²	5	37 Å²	37	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-55.5	-58.2	-179	-175.3	-168.8	71	76.7	-3.9	110.9	R404 E405 K410 L411 I412 Q592 E594	R404-R408 VanDerWaalsContact NH1-CD 3.29Å; R404-R408 VanDerWaalsContact O-CB 3.26Å; R404-R408 WeakPolarHBondContact O-CB 3.33Å; R404-R408 PolarHBondContact O-N 2.85Å; E405-R408 PolarHBondContact O-N 2.9Å; E405-R408 WeakPolarHBondContact OE1-CD 3.32Å; E405-R408 IonicContact OE1-CZ 2.78Å; E405-R408 IonicContact OE1-NE 3.36Å; E405-R408 PolarHBondContact OE1-NE 3.45Å; E405-R408 IonicContact OE1-NH2 3.69Å; E405-R408 IonicContact OE2-CZ 2.71Å; E405-R408 IonicContact OE2-NE 3.66Å; E405-R408 PolarHBondContact OE2-NE 3.14Å; E405-R408 IonicContact OE2-NH2 2.97Å; E405-R408 PolarHBondContact OE2-NH2 3.45Å; R408-K410 PolarHBondContact O-N 2.83Å; R408-L411 PolarHBondContact O-N 3.33Å; R408-I412 HydrophobicContact CG-CB 4.34Å; R408-I412 HydrophobicContact CG-CG2 4.28Å; R408-I412 WeakPolarHBondContact O-CB 3.47Å; R408-I412 WeakPolarHBondContact O-CG2 3.13Å; R408-I412 PolarHBondContact O-N 3.4Å; R408-Q592 WeakPolarHBondContact CD-O 3.28Å; R408-Q592 HydrophobicContact CG-CB 4.03Å; R408-Q592 VanDerWaalsContact CG-O 3.26Å; R408-Q592 WeakPolarHBondContact CG-O 3.08Å; R408-Q592 PolarHBondContact NH1-O 3.39Å; R408-E594 IonicContact CZ-OE1 3.56Å; R408-E594 IonicContact NH1-OE1 3.82Å; R408-E594 IonicContact NH2-OE1 3.36Å; R408-E594 PolarHBondContact NH2-OE1 3.31Å
409	K	96.7	Very high	96.9	Very high	127 Å²	127	36.9 Å²	36.9	55%	0.552	18%	0.176	S	C	*	.	H	α-helix	trans	-60.4	-33.4	-178.8	-69.1	-178	177.6	-174.2	0	112.4	E405 E594	E405-K409 WeakPolarHBondContact O-CB 3.5Å; E405-K409 WeakPolarHBondContact O-CG 3.45Å; E405-K409 PolarHBondContact O-N 3.06Å; E405-K409 WeakPolarHBondContact OE2-CE 3.44Å; K409-E594 WeakPolarHBondContact CE-OE1 3.31Å
410	K	96.8	Very high	96.9	Very high	58 Å²	58	35.9 Å²	35.9	25%	0.252	17%	0.172	S	C	.	.	H	α-helix	trans	-79.9	-35.9	-178.8	-165.3	169.8	-178.6	71.4	0	112.8	F406 L407 R408 K414 I451	F406-K410 HydrophobicContact CE1-CD 4.42Å; F406-K410 HydrophobicContact CE2-CD 4.16Å; F406-K410 HydrophobicContact CZ-CD 3.79Å; F406-K410 WeakPolarHBondContact O-CB 3.27Å; F406-K410 PolarHBondContact O-N 2.94Å; F406-K410 VanDerWaalsContact O-N 3.17Å; L407-K410 PolarHBondContact O-N 2.95Å; R408-K410 PolarHBondContact O-N 2.83Å; K410-K414 VanDerWaalsContact O-CD 3.28Å; K410-K414 WeakPolarHBondContact O-CD 3.3Å; K410-K414 WeakPolarHBondContact O-CE 3.49Å; K410-K414 PolarHBondContact O-NZ 3.46Å; K410-I451 HydrophobicContact CD-CD1 3.89Å
411	L	97.6	Very high	96.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-118.5	-30.1	-162.4	-60.6	-177.9	0	0	0	116	V347 L356 L407 R408 G413 K414 V416 I446 I451	V347-L411 HydrophobicContact CB-CB 4.41Å; V347-L411 WeakPolarHBondContact CB-O 3.31Å; V347-L411 HydrophobicContact CG1-CB 4.21Å; V347-L411 HydrophobicContact CG2-CB 4.24Å; L356-L411 HydrophobicContact CD1-CD1 3.86Å; L356-L411 HydrophobicContact CD2-CD1 4Å; L407-L411 HydrophobicContact CD2-CD1 3.92Å; L407-L411 WeakPolarHBondContact O-CB 3.4Å; L407-L411 WeakPolarHBondContact O-CG 3.23Å; L407-L411 PolarHBondContact O-N 3.26Å; R408-L411 PolarHBondContact O-N 3.33Å; L411-G413 PolarHBondContact O-N 3.25Å; L411-K414 WeakPolarHBondContact O-CB 3.31Å; L411-K414 PolarHBondContact O-N 2.68Å; L411-V416 HydrophobicContact CD2-CG1 3.91Å; L411-I446 HydrophobicContact CD2-CD1 4.44Å; L411-I446 HydrophobicContact CD2-CG2 3.98Å; L411-I451 HydrophobicContact CD1-CD1 4.45Å; L411-I451 HydrophobicContact CD1-CG1 4.22Å; L411-I451 HydrophobicContact CD1-CG2 4.01Å; L411-I451 HydrophobicContact CD2-CD1 3.74Å; L411-I451 HydrophobicContact CD2-CG1 4.02Å; L411-I451 HydrophobicContact CG-CD1 4.42Å
412	I	97.3	Very high	96.6	Very high	26 Å²	26	35.1 Å²	35.1	13%	0.133	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	130.6	-169.1	-161.9	64.5	0	0	0	111.1	M348 R408 K414 Q592 R593	M348-I412 WeakPolarHBondContact O-CD1 3.15Å; R408-I412 HydrophobicContact CG-CB 4.34Å; R408-I412 HydrophobicContact CG-CG2 4.28Å; R408-I412 WeakPolarHBondContact O-CB 3.47Å; R408-I412 WeakPolarHBondContact O-CG2 3.13Å; R408-I412 PolarHBondContact O-N 3.4Å; I412-K414 PolarHBondContact O-N 3.09Å; I412-Q592 HydrophobicContact CD1-CB 3.98Å; I412-Q592 HydrophobicContact CG1-CB 4.05Å; I412-R593 HydrophobicContact CG1-CG 4.46Å; I412-R593 HydrophobicContact CG2-CG 4.47Å
413	G	94.8	Very high	96.3	Very high	23 Å²	23	35.2 Å²	35.2	24%	0.237	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	-6	-177.5	0	0	0	0	0	115.8	K346 V347 L411	K346-G413 WeakPolarHBondContact CE-O 3.22Å; V347-G413 WeakPolarHBondContact O-CA 3.27Å; V347-G413 PolarHBondContact O-N 2.98Å; L411-G413 PolarHBondContact O-N 3.25Å
414	K	96.9	Very high	95.7	Very high	97 Å²	97	40.2 Å²	40.2	42%	0.422	19%	0.19	S	C	.	.			trans	-90.7	154.4	-178.2	-56.8	-168.4	-169.8	162.4	0	112.3	K346 V347 K410 L411 I412 I446	K346-K414 WeakPolarHBondContact CA-O 3.27Å; V347-K414 PolarHBondContact N-O 3.43Å; K410-K414 VanDerWaalsContact O-CD 3.28Å; K410-K414 WeakPolarHBondContact O-CD 3.3Å; K410-K414 WeakPolarHBondContact O-CE 3.49Å; K410-K414 PolarHBondContact O-NZ 3.46Å; L411-K414 WeakPolarHBondContact O-CB 3.31Å; L411-K414 PolarHBondContact O-N 2.68Å; I412-K414 PolarHBondContact O-N 3.09Å; K414-I446 HydrophobicContact CB-CD1 3.77Å; K414-I446 HydrophobicContact CD-CD1 3.73Å; K414-I446 HydrophobicContact CG-CD1 4.4Å
415	K	97.2	Very high	94.9	Very high	143 Å²	143	43.2 Å²	43.2	62%	0.622	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.4	169.7	-66.7	-176.1	179.5	-177.6	0	109.8	V344 A345	V344-K415 HydrophobicContact CG1-CB 4.12Å; A345-K415 CarbonylContact O-C 3.55Å; A345-K415 WeakPolarHBondContact O-CA 3.47Å
416	V	97.9	Very high	93.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.5	178.8	-61.3	0	0	0	0	110.1	V344 A345 V347 L411 V418 V444 I446	V344-V416 WeakPolarHBondContact CA-O 3.46Å; A345-V416 PolarHBondContact N-O 3.31Å; A345-V416 PolarHBondContact O-N 3.5Å; V347-V416 HydrophobicContact CG2-CB 4.38Å; V347-V416 HydrophobicContact CG2-CG1 3.69Å; V347-V416 HydrophobicContact CG2-CG2 3.7Å; L411-V416 HydrophobicContact CD2-CG1 3.91Å; V416-V418 HydrophobicContact CG2-CG2 3.95Å; V416-V444 HydrophobicContact CB-CG1 3.8Å; V416-V444 HydrophobicContact CG1-CG1 4.2Å; V416-V444 HydrophobicContact CG2-CG1 3.84Å; V416-I446 HydrophobicContact CG1-CB 4.29Å; V416-I446 HydrophobicContact CG1-CD1 4.28Å
417	N	97.6	Very high	92.5	Very high	84 Å²	84	46.9 Å²	46.9	45%	0.449	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.5	171.2	-61.8	-22.1	0	0	0	108.2	V344 V444 T445	V344-N417 WeakPolarHBondContact CG2-OD1 3.27Å; N417-V444 WeakPolarHBondContact O-CA 3.28Å; N417-T445 WeakPolarHBondContact CB-OG1 3.39Å; N417-T445 PolarHBondContact N-O 2.93Å; N417-T445 PolarHBondContact O-N 2.83Å
418	V	97.1	Very high	90.8	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.4	-179.6	-174.8	0	0	0	0	108.7	Q342 F343 I368 V416 A442 V444	Q342-V418 WeakPolarHBondContact CA-O 3.22Å; F343-V418 HydrophobicContact CD2-CB 4.02Å; F343-V418 HydrophobicContact CD2-CG2 4.3Å; F343-V418 HydrophobicContact CE1-CB 4.44Å; F343-V418 HydrophobicContact CE1-CG1 4.25Å; F343-V418 HydrophobicContact CE2-CB 3.64Å; F343-V418 HydrophobicContact CE2-CG1 3.92Å; F343-V418 HydrophobicContact CE2-CG2 3.83Å; F343-V418 HydrophobicContact CZ-CB 3.88Å; F343-V418 HydrophobicContact CZ-CG1 3.66Å; F343-V418 HydrophobicContact CZ-CG2 4.43Å; F343-V418 PolarHBondContact N-O 3.07Å; F343-V418 VanDerWaalsContact N-O 3.09Å; F343-V418 PolarHBondContact O-N 2.95Å; I368-V418 HydrophobicContact CG1-CG1 4.44Å; I368-V418 HydrophobicContact CG2-CG1 4.08Å; V416-V418 HydrophobicContact CG2-CG2 3.95Å; V418-A442 HydrophobicContact CG1-CB 3.61Å; V418-V444 HydrophobicContact CG2-CG2 4.42Å
419	T	96.2	Very high	88.8	Confident	35 Å²	35	56.4 Å²	56.4	22%	0.215	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	110	170.7	-61.2	0	0	0	0	108.8	R341 Q342 D421 A442 T443	R341-T419 CarbonylContact O-C 3.58Å; R341-T419 WeakPolarHBondContact O-CA 3.41Å; Q342-T419 HydrophobicContact CG-CG2 3.94Å; T419-D421 PolarHBondContact O-N 3.27Å; T419-A442 CarbonylContact O-C 3.57Å; T419-A442 VanDerWaalsContact O-CA 3.24Å; T419-A442 WeakPolarHBondContact O-CA 3.47Å; T419-A442 VanDerWaalsContact O-CB 3.27Å; T419-A442 WeakPolarHBondContact O-CB 3.44Å; T419-T443 PolarHBondContact N-O 2.96Å; T419-T443 PolarHBondContact O-N 3.28Å
420	V	95.4	Very high	86.5	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.024	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	123	178.3	-178.4	0	0	0	0	109	L336 D340 R341 F343 I423 T440 A442	L336-V420 HydrophobicContact CD1-CB 4.43Å; L336-V420 HydrophobicContact CD1-CG1 3.81Å; D340-V420 VanDerWaalsContact O-CG2 3.28Å; D340-V420 WeakPolarHBondContact O-CG2 3.38Å; R341-V420 PolarHBondContact O-N 3.28Å; F343-V420 HydrophobicContact CE1-CG2 4.03Å; V420-I423 HydrophobicContact CG1-CG1 4.35Å; V420-T440 HydrophobicContact CB-CG2 4.49Å; V420-T440 HydrophobicContact CG1-CG2 3.85Å; V420-T440 HydrophobicContact CG2-CG2 3.81Å; V420-A442 HydrophobicContact CG2-CB 4.44Å
421	D	93.3	Very high	83.5	Confident	15 Å²	15	59.5 Å²	59.5	8%	0.08	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-40.8	-179.3	-70	-58.1	0	0	0	111.3	T333 S371 T419 C441 T443 S475	T333-D421 WeakPolarHBondContact CG2-O 3.38Å; S371-D421 VanDerWaalsContact CB-OD2 3.26Å; S371-D421 WeakPolarHBondContact CB-OD2 3.44Å; S371-D421 PolarHBondContact OG-OD2 2.89Å; T419-D421 PolarHBondContact O-N 3.27Å; D421-C441 PolarHBondContact N-O 3.27Å; D421-T443 WeakPolarHBondContact OD2-CB 3.14Å; D421-T443 PolarHBondContact OD2-N 3.5Å; D421-T443 PolarHBondContact OD2-OG1 3.16Å; D421-S475 WeakPolarHBondContact OD1-CB 3.43Å; D421-S475 PolarHBondContact OD1-N 2.97Å; D421-S475 PolarHBondContact OD1-OG 2.83Å
422	Y	92.4	Very high	81.3	Confident	3 Å²	3	63.4 Å²	63.4	1%	0.012	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	160.5	176.1	59.7	-85.9	0	0	0	111	S372 C441 Y466 Q472	S372-Y422 PolarHBondContact N-OH 2.83Å; Y422-C441 HydrophobicContact CD1-CB 4.16Å; Y422-C441 HydrophobicContact CD2-CB 3.85Å; Y422-C441 HydrophobicContact CE1-CB 3.76Å; Y422-C441 HydrophobicContact CE2-CB 3.42Å; Y422-C441 VanDerWaalsContact CE2-CB 3.42Å; Y422-C441 WeakPolarHBondContact CE2-SG 3.28Å; Y422-C441 HydrophobicContact CG-CB 4.19Å; Y422-C441 PolarHBondContact N-O 3.07Å; Y422-C441 WeakPolarHBondContact O-CB 3.39Å; Y422-C441 PolarHBondContact O-N 3.21Å; Y422-C441 VanDerWaalsContact O-O 3.11Å; Y422-Y466 PolarHBondContact OH-OH 2.98Å; Y422-Y466 VanDerWaalsContact OH-OH 3.14Å; Y422-Q472 HydrophobicContact CD1-CB 4.36Å; Y422-Q472 WeakPolarHBondContact CD1-O 3.46Å; Y422-Q472 HydrophobicContact CD2-CB 3.87Å; Y422-Q472 WeakPolarHBondContact CE1-O 3.43Å; Y422-Q472 HydrophobicContact CE2-CB 4.41Å; Y422-Q472 HydrophobicContact CG-CB 3.85Å; Y422-Q472 VanDerWaalsContact CZ-O 3.3Å
423	I	89.9	Confident	78.7	Confident	47 Å²	47	66.4 Å²	66.4	24%	0.241	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.4	170.4	-62.4	177.7	0	0	0	107.9	L336 V420 E438	L336-I423 HydrophobicContact CD1-CD1 3.95Å; L336-I423 HydrophobicContact CD1-CG1 4.32Å; L336-I423 HydrophobicContact CD2-CD1 3.81Å; L336-I423 HydrophobicContact CG-CD1 4.26Å; V420-I423 HydrophobicContact CG1-CG1 4.35Å; I423-E438 HydrophobicContact CG2-CG 3.45Å; I423-E438 VanDerWaalsContact CG2-CG 3.45Å
424	R	85.4	Confident	76.5	Confident	105 Å²	105	69.3 Å²	69.3	40%	0.396	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	115.6	170.7	-173	179.1	-67.6	175.9	0.5	108.1	E438 R439	R424-E438 WeakPolarHBondContact O-CA 3.48Å; R424-R439 HydrophobicContact CB-CB 4.34Å; R424-R439 PolarHBondContact N-O 2.96Å; R424-R439 PolarHBondContact O-N 2.94Å
425	A	80.4	Confident	74.6	Confident	68 Å²	68	67.5 Å²	67.5	56%	0.562	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-57.6	151.2	178.2	0	0	0	0	0	111.6	T427	A425-T427 PolarHBondContact O-N 2.9Å
426	A	75.7	Confident	73.1	Confident	63 Å²	63	65 Å²	65	52%	0.521	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-61.9	134.1	172.3	0	0	0	0	0	110	F436 E438	A426-F436 CarbonylContact C-O 3.55Å; A426-F436 WeakPolarHBondContact CA-O 3.49Å; A426-F436 WeakPolarHBondContact CB-O 3.43Å; A426-E438 HydrophobicContact CB-CB 4.47Å
427	T	68.6	Low	71.9	Confident	79 Å²	79	69.2 Å²	69.2	49%	0.485	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-102.6	128	172.1	35	0	0	0	0	109.5	A425 A435 F436	A425-T427 PolarHBondContact O-N 2.9Å; T427-A435 VanDerWaalsContact O-CA 3.29Å; T427-A435 WeakPolarHBondContact O-CA 3.39Å; T427-F436 PolarHBondContact N-O 2.87Å; T427-F436 VanDerWaalsContact N-O 3.1Å; T427-F436 PolarHBondContact O-N 2.95Å
428	S	61.7	Low	71.3	Confident	102 Å²	102	71 Å²	71	71%	0.713	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-59.1	148.8	169.2	-53.9	0	0	0	0	110.4	G430	S428-G430 PolarHBondContact O-N 2.94Å; S428-G430 VanDerWaalsContact O-N 3.12Å
429	P	55.3	Low	70.9	Confident	102 Å²	102	73.2 Å²	73.2	66%	0.662	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-60.7	119.1	174.5	21.4	-24.9	0	0	0	109.2	A435	P429-A435 HydrophobicContact CB-CB 3.94Å; P429-A435 HydrophobicContact CG-CB 4.08Å
430	G	50.1	Low	70.8	Confident	39 Å²	39	72.9 Å²	72.9	40%	0.402	45%	0.45	S	S	.	.	B	Isolated β-bridge	trans	-111.6	166	173.2	0	0	0	0	0	110.8	S428 G432 T433	S428-G430 PolarHBondContact O-N 2.94Å; S428-G430 VanDerWaalsContact O-N 3.12Å; G430-G432 PolarHBondContact O-N 2.8Å; G430-T433 PolarHBondContact N-O 3.39Å; G430-T433 PolarHBondContact O-N 2.92Å; G430-T433 VanDerWaalsContact O-N 3.11Å
431	E	33.6	Very low	70.8	Confident	211 Å²	211	73 Å²	73	99%	0.986	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	109.8	174.9	-78.6	-173.9	158.1	0	0	110.6	T433	E431-T433 PolarHBondContact O-N 2.91Å
432	G	49.7	Very low	70.9	Confident	82 Å²	82	72.3 Å²	72.3	85%	0.845	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-2.5	177.1	0	0	0	0	0	116.7	G430	G430-G432 PolarHBondContact O-N 2.8Å
433	T	44.3	Very low	71.2	Confident	89 Å²	89	72.2 Å²	72.2	55%	0.546	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-122.9	116.6	174	42.1	0	0	0	0	111.5	G430 E431	G430-T433 PolarHBondContact N-O 3.39Å; G430-T433 PolarHBondContact O-N 2.92Å; G430-T433 VanDerWaalsContact O-N 3.11Å; E431-T433 PolarHBondContact O-N 2.91Å
434	P	48.2	Very low	71.5	Confident	85 Å²	85	70 Å²	70	55%	0.552	44%	0.436	S	S	*	.			trans	-62.3	145.7	179.2	22.9	-30.5	0	0	0	111.2	F436	P434-F436 HydrophobicContact CG-CE1 4.42Å; P434-F436 HydrophobicContact CG-CE2 3.97Å; P434-F436 HydrophobicContact CG-CZ 3.69Å; P434-F436 WeakPolarHBondContact O-CD2 3.47Å; P434-F436 VanDerWaalsContact O-CE2 3.28Å; P434-F436 WeakPolarHBondContact O-CE2 3.22Å; P434-F436 PolarHBondContact O-N 3.06Å
435	A	57.1	Low	72.1	Confident	58 Å²	58	66.7 Å²	66.7	48%	0.479	43%	0.427	S	S	.	.			trans	-58.2	135	173.3	0	0	0	0	0	109.9	T427 P429	T427-A435 VanDerWaalsContact O-CA 3.29Å; T427-A435 WeakPolarHBondContact O-CA 3.39Å; P429-A435 HydrophobicContact CB-CB 3.94Å; P429-A435 HydrophobicContact CG-CB 4.08Å
436	F	64.7	Low	72.9	Confident	91 Å²	91	65 Å²	65	40%	0.399	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-120.8	134.7	174.6	-67.6	-71.2	0	0	0	109.3	A426 T427 P434	A426-F436 CarbonylContact C-O 3.55Å; A426-F436 WeakPolarHBondContact CA-O 3.49Å; A426-F436 WeakPolarHBondContact CB-O 3.43Å; T427-F436 PolarHBondContact N-O 2.87Å; T427-F436 VanDerWaalsContact N-O 3.1Å; T427-F436 PolarHBondContact O-N 2.95Å; P434-F436 HydrophobicContact CG-CE1 4.42Å; P434-F436 HydrophobicContact CG-CE2 3.97Å; P434-F436 HydrophobicContact CG-CZ 3.69Å; P434-F436 WeakPolarHBondContact O-CD2 3.47Å; P434-F436 VanDerWaalsContact O-CE2 3.28Å; P434-F436 WeakPolarHBondContact O-CE2 3.22Å; P434-F436 PolarHBondContact O-N 3.06Å
437	S	73.6	Confident	73.7	Confident	90 Å²	90	65.9 Å²	65.9	63%	0.629	42%	0.424	S	S	*	.			trans	-63.6	156.3	168.8	55.9	0	0	0	0	110.6	R439	S437-R439 WeakPolarHBondContact O-CG 3.22Å; S437-R439 PolarHBondContact O-N 3.11Å
438	E	84.3	Confident	74.8	Confident	121 Å²	121	65.9 Å²	65.9	57%	0.565	44%	0.44	S	S	*	.			trans	-51.9	134.6	171.3	-175.4	-177.8	98.8	0	0	110.2	I423 R424 A426	I423-E438 HydrophobicContact CG2-CG 3.45Å; I423-E438 VanDerWaalsContact CG2-CG 3.45Å; R424-E438 WeakPolarHBondContact O-CA 3.48Å; A426-E438 HydrophobicContact CB-CB 4.47Å
439	R	89.1	Confident	76.4	Confident	48 Å²	48	64.6 Å²	64.6	18%	0.181	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	110.6	179.5	-59.3	-169.2	-177.5	-155.9	-3.8	110.7	R424 S437 C441	R424-R439 HydrophobicContact CB-CB 4.34Å; R424-R439 PolarHBondContact N-O 2.96Å; R424-R439 PolarHBondContact O-N 2.94Å; S437-R439 WeakPolarHBondContact O-CG 3.22Å; S437-R439 PolarHBondContact O-N 3.11Å; R439-C441 PolarHBondContact O-N 2.79Å; R439-C441 PolarHBondContact O-SG 3.31Å
440	T	93.3	Very high	78.4	Confident	29 Å²	29	60.1 Å²	60.1	18%	0.178	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	112.2	164.9	-62.4	0	0	0	0	108.8	I368 H369 V420	I368-T440 HydrophobicContact CD1-CG2 3.61Å; H369-T440 PolarHBondContact N-O 3.3Å; V420-T440 HydrophobicContact CB-CG2 4.49Å; V420-T440 HydrophobicContact CG1-CG2 3.85Å; V420-T440 HydrophobicContact CG2-CG2 3.81Å
441	C	95.5	Very high	80.7	Confident	6 Å²	6	58.2 Å²	58.2	4%	0.041	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.4	-177.5	-61.9	0	0	0	0	109.5	H369 D421 Y422 R439	H369-C441 CarbonylContact O-C 3.58Å; H369-C441 WeakPolarHBondContact O-CA 3.38Å; D421-C441 PolarHBondContact N-O 3.27Å; Y422-C441 HydrophobicContact CD1-CB 4.16Å; Y422-C441 HydrophobicContact CD2-CB 3.85Å; Y422-C441 HydrophobicContact CE1-CB 3.76Å; Y422-C441 HydrophobicContact CE2-CB 3.42Å; Y422-C441 VanDerWaalsContact CE2-CB 3.42Å; Y422-C441 WeakPolarHBondContact CE2-SG 3.28Å; Y422-C441 HydrophobicContact CG-CB 4.19Å; Y422-C441 PolarHBondContact N-O 3.07Å; Y422-C441 WeakPolarHBondContact O-CB 3.39Å; Y422-C441 PolarHBondContact O-N 3.21Å; Y422-C441 VanDerWaalsContact O-O 3.11Å; R439-C441 PolarHBondContact O-N 2.79Å; R439-C441 PolarHBondContact O-SG 3.31Å
442	A	96.6	Very high	83.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	153.8	-169.2	0	0	0	0	0	112.7	I368 H369 S371 V418 T419 V420	I368-A442 HydrophobicContact CG2-CB 3.5Å; I368-A442 VanDerWaalsContact CG2-CB 3.5Å; H369-A442 PolarHBondContact O-N 3.43Å; S371-A442 PolarHBondContact N-O 3.39Å; S371-A442 PolarHBondContact OG-O 3.42Å; V418-A442 HydrophobicContact CG1-CB 3.61Å; T419-A442 CarbonylContact O-C 3.57Å; T419-A442 VanDerWaalsContact O-CA 3.24Å; T419-A442 WeakPolarHBondContact O-CA 3.47Å; T419-A442 VanDerWaalsContact O-CB 3.27Å; T419-A442 WeakPolarHBondContact O-CB 3.44Å; V420-A442 HydrophobicContact CG2-CB 4.44Å
443	T	97.3	Very high	86	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	124.6	163.6	-65.5	0	0	0	0	108.6	S371 T419 D421 T445 S474	S371-T443 PolarHBondContact OG-OG1 3.37Å; T419-T443 PolarHBondContact N-O 2.96Å; T419-T443 PolarHBondContact O-N 3.28Å; D421-T443 WeakPolarHBondContact OD2-CB 3.14Å; D421-T443 PolarHBondContact OD2-N 3.5Å; D421-T443 PolarHBondContact OD2-OG1 3.16Å; T443-T445 HydrophobicContact CG2-CG2 4.11Å; T443-S474 PolarHBondContact OG1-OG 3.24Å
444	V	97.8	Very high	88.5	Confident	1 Å²	1	43 Å²	43	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.2	178.8	-178.9	0	0	0	0	109	L356 I368 L370 V416 N417 V418 I451	L356-V444 HydrophobicContact CD1-CG1 4.16Å; L356-V444 HydrophobicContact CD1-CG2 4.31Å; I368-V444 HydrophobicContact CG2-CG2 4.35Å; L370-V444 HydrophobicContact CD2-CB 3.86Å; L370-V444 HydrophobicContact CD2-CG2 3.69Å; V416-V444 HydrophobicContact CB-CG1 3.8Å; V416-V444 HydrophobicContact CG1-CG1 4.2Å; V416-V444 HydrophobicContact CG2-CG1 3.84Å; N417-V444 WeakPolarHBondContact O-CA 3.28Å; V418-V444 HydrophobicContact CG2-CG2 4.42Å; V444-I451 HydrophobicContact CB-CB 4.47Å; V444-I451 HydrophobicContact CB-CG1 4.47Å; V444-I451 HydrophobicContact CG1-CG1 4.2Å; V444-I451 WeakPolarHBondContact O-CB 3.37Å; V444-I451 WeakPolarHBondContact O-CG1 3.42Å; V444-I451 PolarHBondContact O-N 2.96Å
445	T	97.7	Very high	90.9	Very high	34 Å²	34	39 Å²	39	21%	0.209	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.6	-179.9	62.1	0	0	0	0	112.5	N417 T443 I449 N450	N417-T445 WeakPolarHBondContact CB-OG1 3.39Å; N417-T445 PolarHBondContact N-O 2.93Å; N417-T445 PolarHBondContact O-N 2.83Å; T443-T445 HydrophobicContact CG2-CG2 4.11Å; T445-I449 VanDerWaalsContact CA-O 3.24Å; T445-I449 WeakPolarHBondContact CA-O 3.41Å; T445-N450 HydrophobicContact CG2-CB 4.41Å
446	I	96.4	Very high	92.9	Very high	33 Å²	33	36.2 Å²	36.2	17%	0.169	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	126.7	172.9	-170.1	172.2	0	0	0	109.8	L411 K414 V416 G448 I449 I451	L411-I446 HydrophobicContact CD2-CD1 4.44Å; L411-I446 HydrophobicContact CD2-CG2 3.98Å; K414-I446 HydrophobicContact CB-CD1 3.77Å; K414-I446 HydrophobicContact CD-CD1 3.73Å; K414-I446 HydrophobicContact CG-CD1 4.4Å; V416-I446 HydrophobicContact CG1-CB 4.29Å; V416-I446 HydrophobicContact CG1-CD1 4.28Å; I446-G448 PolarHBondContact O-N 3.28Å; I446-I449 PolarHBondContact N-O 2.71Å; I446-I449 VanDerWaalsContact N-O 3.08Å; I446-I449 WeakPolarHBondContact O-CB 3.45Å; I446-I449 PolarHBondContact O-N 3.17Å; I446-I451 HydrophobicContact CG2-CD1 3.79Å
447	G	92.8	Very high	94.4	Very high	82 Å²	82	33.2 Å²	33.2	85%	0.845	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	36.7	-177.6	0	0	0	0	0	113.6	I449	G447-I449 VanDerWaalsContact C-N 3.25Å; G447-I449 PolarHBondContact O-N 2.88Å
448	G	91.1	Very high	95.5	Very high	79 Å²	79	33.6 Å²	33.6	81%	0.814	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	-0.8	-176.7	0	0	0	0	0	115.6	I446	I446-G448 PolarHBondContact O-N 3.28Å
449	I	95.5	Very high	96.1	Very high	74 Å²	74	27.8 Å²	27.8	38%	0.379	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.2	-179.5	-58.5	170.1	0	0	0	109.9	T445 I446 G447 A454	T445-I449 VanDerWaalsContact CA-O 3.24Å; T445-I449 WeakPolarHBondContact CA-O 3.41Å; I446-I449 PolarHBondContact N-O 2.71Å; I446-I449 VanDerWaalsContact N-O 3.08Å; I446-I449 WeakPolarHBondContact O-CB 3.45Å; I446-I449 PolarHBondContact O-N 3.17Å; G447-I449 VanDerWaalsContact C-N 3.25Å; G447-I449 PolarHBondContact O-N 2.88Å; I449-A454 HydrophobicContact CG2-CB 4.16Å
450	N	97.7	Very high	96.5	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.043	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	120.2	168.3	-175.6	-26.2	0	0	0	110.6	T445 A452 E453 A454	T445-N450 HydrophobicContact CG2-CB 4.41Å; N450-A452 PolarHBondContact OD1-N 3.3Å; N450-E453 HydrophobicContact CB-CB 3.86Å; N450-E453 PolarHBondContact O-N 3.33Å; N450-E453 PolarHBondContact OD1-N 3.09Å; N450-A454 WeakPolarHBondContact O-CB 3.43Å; N450-A454 PolarHBondContact O-N 3.28Å
451	I	97.9	Very high	96.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-69.1	-39.1	-175	-64.7	-52.8	0	0	0	112.4	L370 L407 K410 L411 V444 I446 A454 L455	L370-I451 HydrophobicContact CD1-CG2 3.92Å; L370-I451 HydrophobicContact CD2-CB 4.49Å; L370-I451 HydrophobicContact CD2-CG2 4.25Å; L407-I451 HydrophobicContact CD2-CG2 3.31Å; K410-I451 HydrophobicContact CD-CD1 3.89Å; L411-I451 HydrophobicContact CD1-CD1 4.45Å; L411-I451 HydrophobicContact CD1-CG1 4.22Å; L411-I451 HydrophobicContact CD1-CG2 4.01Å; L411-I451 HydrophobicContact CD2-CD1 3.74Å; L411-I451 HydrophobicContact CD2-CG1 4.02Å; L411-I451 HydrophobicContact CG-CD1 4.42Å; V444-I451 HydrophobicContact CB-CB 4.47Å; V444-I451 HydrophobicContact CB-CG1 4.47Å; V444-I451 HydrophobicContact CG1-CG1 4.2Å; V444-I451 WeakPolarHBondContact O-CB 3.37Å; V444-I451 WeakPolarHBondContact O-CG1 3.42Å; V444-I451 PolarHBondContact O-N 2.96Å; I446-I451 HydrophobicContact CG2-CD1 3.79Å; I451-A454 PolarHBondContact O-N 2.71Å; I451-L455 PolarHBondContact O-N 3.18Å
452	A	97.9	Very high	96.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.2	-44.1	177.4	0	0	0	0	0	110.6	L370 I373 N450 A454 L455 V456 L480	L370-A452 HydrophobicContact CB-CB 4.35Å; I373-A452 HydrophobicContact CD1-CB 4.04Å; I373-A452 HydrophobicContact CG2-CB 3.96Å; N450-A452 PolarHBondContact OD1-N 3.3Å; A452-A454 VanDerWaalsContact C-N 3.33Å; A452-A454 PolarHBondContact O-N 3.5Å; A452-L455 PolarHBondContact O-N 2.92Å; A452-V456 VanDerWaalsContact O-CG2 3.26Å; A452-V456 WeakPolarHBondContact O-CG2 3.22Å; A452-V456 PolarHBondContact O-N 2.98Å; A452-L480 HydrophobicContact CB-CD2 3.82Å
453	E	97.4	Very high	96.7	Very high	49 Å²	49	26.6 Å²	26.6	23%	0.229	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-43.7	175.2	-166.4	-156.1	162.4	0	0	111.5	N450 L455 V456 S457 E479 L480 A483 R486	N450-E453 HydrophobicContact CB-CB 3.86Å; N450-E453 PolarHBondContact O-N 3.33Å; N450-E453 PolarHBondContact OD1-N 3.09Å; E453-L455 PolarHBondContact O-N 3.03Å; E453-V456 PolarHBondContact O-N 3.22Å; E453-S457 WeakPolarHBondContact O-CB 3.33Å; E453-S457 PolarHBondContact O-N 3.07Å; E453-S457 PolarHBondContact O-OG 3.31Å; E453-E479 HydrophobicContact CG-CB 4.49Å; E453-L480 HydrophobicContact CB-CD2 3.97Å; E453-L480 VanDerWaalsContact N-CD2 3.33Å; E453-A483 HydrophobicContact CG-CB 3.64Å; E453-R486 IonicContact OE1-CZ 2.84Å; E453-R486 IonicContact OE1-NH2 3.61Å; E453-R486 PolarHBondContact OE1-NH2 2.94Å
454	A	97.6	Very high	96.4	Very high	14 Å²	14	27.2 Å²	27.2	12%	0.116	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-41.7	-179.5	0	0	0	0	0	112.5	F406 I449 N450 I451 A452 S457 K458	F406-A454 HydrophobicContact CE1-CB 4.12Å; F406-A454 HydrophobicContact CZ-CB 3.78Å; I449-A454 HydrophobicContact CG2-CB 4.16Å; N450-A454 WeakPolarHBondContact O-CB 3.43Å; N450-A454 PolarHBondContact O-N 3.28Å; I451-A454 PolarHBondContact O-N 2.71Å; A452-A454 VanDerWaalsContact C-N 3.33Å; A452-A454 PolarHBondContact O-N 3.5Å; A454-S457 PolarHBondContact O-OG 2.94Å; A454-K458 WeakPolarHBondContact O-CG 3.3Å; A454-K458 PolarHBondContact O-N 2.95Å
455	L	97.7	Very high	96	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-51.5	172.9	-83.3	170.6	0	0	0	111.6	A353 L370 I373 A403 F406 L407 I451 A452 E453 S457 K458 G459 L460 A461	A353-L455 WeakPolarHBondContact O-CD1 3.4Å; L370-L455 HydrophobicContact CD1-CD1 3.57Å; I373-L455 HydrophobicContact CD1-CD1 3.89Å; A403-L455 HydrophobicContact CB-CD2 4.26Å; F406-L455 HydrophobicContact CD1-CD2 3.56Å; F406-L455 HydrophobicContact CD1-CG 4.04Å; F406-L455 HydrophobicContact CE1-CD2 4.08Å; F406-L455 HydrophobicContact CE1-CG 4.06Å; L407-L455 HydrophobicContact CD1-CD1 4.18Å; L407-L455 HydrophobicContact CD2-CD1 3.87Å; L407-L455 HydrophobicContact CD2-CD2 4.37Å; L407-L455 HydrophobicContact CD2-CG 4.13Å; L407-L455 HydrophobicContact CG-CD1 4.2Å; L407-L455 HydrophobicContact CG-CD2 4.25Å; I451-L455 PolarHBondContact O-N 3.18Å; A452-L455 PolarHBondContact O-N 2.92Å; E453-L455 PolarHBondContact O-N 3.03Å; L455-S457 VanDerWaalsContact C-N 3.34Å; L455-S457 PolarHBondContact O-N 3.27Å; L455-K458 PolarHBondContact O-N 3.04Å; L455-K458 VanDerWaalsContact O-N 3.13Å; L455-G459 PolarHBondContact O-N 2.89Å; L455-L460 HydrophobicContact CD2-CB 3.73Å; L455-L460 HydrophobicContact CD2-CD1 4.35Å; L455-L460 PolarHBondContact O-N 3.19Å; L455-A461 HydrophobicContact CB-CB 4.01Å
456	V	98.1	Very high	95.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-43.3	-178.3	172.4	0	0	0	0	110.8	I373 A452 E453 K458 G459 A461 V463 A483 E484 A487	I373-V456 HydrophobicContact CB-CG2 4.41Å; I373-V456 HydrophobicContact CG2-CG2 3.57Å; A452-V456 VanDerWaalsContact O-CG2 3.26Å; A452-V456 WeakPolarHBondContact O-CG2 3.22Å; A452-V456 PolarHBondContact O-N 2.98Å; E453-V456 PolarHBondContact O-N 3.22Å; V456-K458 PolarHBondContact O-N 3.08Å; V456-K458 VanDerWaalsContact O-N 3.08Å; V456-G459 PolarHBondContact O-N 2.82Å; V456-A461 HydrophobicContact CG2-CB 4.16Å; V456-V463 HydrophobicContact CB-CG2 4.46Å; V456-V463 HydrophobicContact CG1-CG2 3.66Å; V456-V463 HydrophobicContact CG2-CG2 3.95Å; V456-A483 HydrophobicContact CB-CB 4.2Å; V456-A483 HydrophobicContact CG1-CB 3.87Å; V456-E484 HydrophobicContact CG1-CB 3.62Å; V456-E484 HydrophobicContact CG1-CG 4.34Å; V456-E484 VanDerWaalsContact CG1-N 3.31Å; V456-A487 WeakPolarHBondContact O-CB 3.36Å
457	S	96.9	Very high	94.4	Very high	28 Å²	28	43 Å²	43	20%	0.196	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-20.2	179.2	77.6	0	0	0	0	114.3	E453 A454 L455 K492	E453-S457 WeakPolarHBondContact O-CB 3.33Å; E453-S457 PolarHBondContact O-N 3.07Å; E453-S457 PolarHBondContact O-OG 3.31Å; A454-S457 PolarHBondContact O-OG 2.94Å; L455-S457 VanDerWaalsContact C-N 3.34Å; L455-S457 PolarHBondContact O-N 3.27Å; S457-K492 WeakPolarHBondContact O-CD 3.49Å
458	K	97.3	Very high	93.1	Very high	97 Å²	97	43.5 Å²	43.5	42%	0.422	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-1.9	175.6	-69.3	173.8	177.2	-75.1	0	112.6	F406 A454 L455 V456 L460 K492 G493	F406-K458 HydrophobicContact CD2-CD 4.03Å; F406-K458 HydrophobicContact CE2-CD 3.91Å; F406-K458 VanDerWaalsContact CE2-CE 3.46Å; F406-K458 HydrophobicContact CZ-CD 4.29Å; A454-K458 WeakPolarHBondContact O-CG 3.3Å; A454-K458 PolarHBondContact O-N 2.95Å; L455-K458 PolarHBondContact O-N 3.04Å; L455-K458 VanDerWaalsContact O-N 3.13Å; V456-K458 PolarHBondContact O-N 3.08Å; V456-K458 VanDerWaalsContact O-N 3.08Å; K458-L460 HydrophobicContact CB-CD1 3.92Å; K458-L460 HydrophobicContact CB-CG 3.86Å; K458-L460 HydrophobicContact CD-CD1 4.14Å; K458-L460 PolarHBondContact O-N 3.13Å; K458-K492 WeakPolarHBondContact O-CB 3.4Å; K458-G493 PolarHBondContact O-N 3.45Å
459	G	96.6	Very high	92	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	24	-173.3	0	0	0	0	0	113.1	L455 V456 A461 G493 L494	L455-G459 PolarHBondContact O-N 2.89Å; V456-G459 PolarHBondContact O-N 2.82Å; G459-A461 VanDerWaalsContact C-N 3.34Å; G459-G493 WeakPolarHBondContact O-CA 3.5Å; G459-L494 WeakPolarHBondContact O-CB 3.39Å; G459-L494 WeakPolarHBondContact O-CG 3.14Å; G459-L494 PolarHBondContact O-N 3.09Å
460	L	97.3	Very high	91.1	Very high	15 Å²	15	44.5 Å²	44.5	8%	0.079	21%	0.205	C	C	.	.	S	Bend	trans	-92.3	-0.2	178.5	-63.6	177.5	0	0	0	112.4	P376 Y399 E402 A403 F406 L455 K458	P376-L460 VanDerWaalsContact CD-O 3.31Å; P376-L460 WeakPolarHBondContact CD-O 3.49Å; P376-L460 WeakPolarHBondContact CG-O 3.37Å; Y399-L460 HydrophobicContact CD1-CD2 4.41Å; E402-L460 HydrophobicContact CB-CD2 3.78Å; A403-L460 HydrophobicContact CB-CB 3.91Å; F406-L460 HydrophobicContact CB-CD1 4Å; F406-L460 HydrophobicContact CG-CD1 4.27Å; L455-L460 HydrophobicContact CD2-CB 3.73Å; L455-L460 HydrophobicContact CD2-CD1 4.35Å; L455-L460 PolarHBondContact O-N 3.19Å; K458-L460 HydrophobicContact CB-CD1 3.92Å; K458-L460 HydrophobicContact CB-CG 3.86Å; K458-L460 HydrophobicContact CD-CD1 4.14Å; K458-L460 PolarHBondContact O-N 3.13Å
461	A	97	Very high	90	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-156.2	158.7	172.3	0	0	0	0	0	108.4	I373 R374 L455 V456 G459	I373-A461 HydrophobicContact CB-CB 4.26Å; I373-A461 HydrophobicContact CD1-CB 3.97Å; R374-A461 VanDerWaalsContact O-CA 3.31Å; R374-A461 WeakPolarHBondContact O-CA 3.5Å; R374-A461 WeakPolarHBondContact O-CB 3.36Å; L455-A461 HydrophobicContact CB-CB 4.01Å; V456-A461 HydrophobicContact CG2-CB 4.16Å; G459-A461 VanDerWaalsContact C-N 3.34Å
462	T	96.1	Very high	89.4	Confident	38 Å²	38	49.8 Å²	49.8	23%	0.233	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	154.8	174.3	54.5	0	0	0	0	110.8	I373 R374 L494	I373-T462 CarbonylContact C-O 3.57Å; I373-T462 WeakPolarHBondContact CA-O 3.4Å; R374-T462 PolarHBondContact N-O 3.46Å; R374-T462 PolarHBondContact O-N 2.84Å; T462-L494 HydrophobicContact CG2-CD1 3.93Å
463	V	95.6	Very high	89	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.1	-178.3	-176.7	0	0	0	0	109.9	V456 R465 Y477 L480 L481 E484	V456-V463 HydrophobicContact CB-CG2 4.46Å; V456-V463 HydrophobicContact CG1-CG2 3.66Å; V456-V463 HydrophobicContact CG2-CG2 3.95Å; V463-R465 PolarHBondContact O-N 3.42Å; V463-Y477 HydrophobicContact CG1-CD2 4.21Å; V463-Y477 HydrophobicContact CG1-CE2 3.59Å; V463-L480 HydrophobicContact CG1-CB 4.18Å; V463-L480 HydrophobicContact CG2-CB 3.9Å; V463-L480 WeakPolarHBondContact CG2-O 3.34Å; V463-L481 HydrophobicContact CB-CD2 4.41Å; V463-L481 HydrophobicContact CG1-CD2 3.89Å; V463-L481 HydrophobicContact CG1-CG 4.44Å; V463-E484 HydrophobicContact CG2-CB 3.8Å; V463-E484 HydrophobicContact CG2-CG 4.28Å; V463-E484 PolarHBondContact N-OE1 3.46Å
464	I	92.9	Very high	88.7	Confident	15 Å²	15	49.2 Å²	49.2	8%	0.077	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-66.7	126.2	174	-65.7	176.3	0	0	0	108.5	S372 I373 R374 Y466 Y477	S372-I464 PolarHBondContact O-N 2.84Å; I373-I464 WeakPolarHBondContact O-CD1 3.4Å; R374-I464 HydrophobicContact CG-CD1 4.06Å; R374-I464 HydrophobicContact CG-CG1 3.53Å; I464-Y466 HydrophobicContact CB-CD2 4.47Å; I464-Y466 HydrophobicContact CB-CE2 3.78Å; I464-Y466 HydrophobicContact CG2-CD1 4.33Å; I464-Y466 HydrophobicContact CG2-CD2 4.05Å; I464-Y466 HydrophobicContact CG2-CE1 3.95Å; I464-Y466 HydrophobicContact CG2-CE2 3.62Å; I464-Y466 HydrophobicContact CG2-CG 4.4Å; I464-Y466 VanDerWaalsContact O-CD2 3.28Å; I464-Y466 WeakPolarHBondContact O-CD2 3.24Å; I464-Y466 WeakPolarHBondContact O-CE2 3.18Å; I464-Y477 VanDerWaalsContact O-CE2 3.24Å; I464-Y477 WeakPolarHBondContact O-CE2 3.48Å; I464-Y477 PolarHBondContact O-OH 2.85Å; I464-Y477 VanDerWaalsContact O-OH 3.07Å
465	R	87.7	Confident	88.2	Confident	153 Å²	153	51.4 Å²	51.4	58%	0.577	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-88	125.7	170.5	-55.7	-52.2	-176.9	129.6	-4.6	109.7	V463 L481 E484	V463-R465 PolarHBondContact O-N 3.42Å; R465-L481 VanDerWaalsContact CZ-CD2 3.45Å; R465-E484 IonicContact CZ-OE2 2.81Å; R465-E484 IonicContact NE-OE2 3.18Å; R465-E484 IonicContact NH2-OE2 3.19Å; R465-E484 PolarHBondContact NH2-OE2 3.44Å
466	Y	83.7	Confident	87.8	Confident	31 Å²	31	54.6 Å²	54.6	12%	0.122	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-101.4	155.2	-178.2	-68.3	-86.9	0	0	0	111.5	S372 Y422 I464 D470 Q472 R473 Y477	S372-Y466 WeakPolarHBondContact CA-OH 3.28Å; S372-Y466 VanDerWaalsContact OG-CE2 3.31Å; S372-Y466 WeakPolarHBondContact OG-CE2 3.26Å; S372-Y466 PolarHBondContact OG-OH 3.05Å; Y422-Y466 PolarHBondContact OH-OH 2.98Å; Y422-Y466 VanDerWaalsContact OH-OH 3.14Å; I464-Y466 HydrophobicContact CB-CD2 4.47Å; I464-Y466 HydrophobicContact CB-CE2 3.78Å; I464-Y466 HydrophobicContact CG2-CD1 4.33Å; I464-Y466 HydrophobicContact CG2-CD2 4.05Å; I464-Y466 HydrophobicContact CG2-CE1 3.95Å; I464-Y466 HydrophobicContact CG2-CE2 3.62Å; I464-Y466 HydrophobicContact CG2-CG 4.4Å; I464-Y466 VanDerWaalsContact O-CD2 3.28Å; I464-Y466 WeakPolarHBondContact O-CD2 3.24Å; I464-Y466 WeakPolarHBondContact O-CE2 3.18Å; Y466-D470 HydrophobicContact CD1-CB 4.17Å; Y466-D470 WeakPolarHBondContact CD1-OD2 3.47Å; Y466-Q472 WeakPolarHBondContact CE1-O 3.26Å; Y466-Q472 PolarHBondContact OH-O 3.05Å; Y466-R473 HydrophobicContact CD1-CB 4.43Å; Y466-R473 HydrophobicContact CD2-CB 3.91Å; Y466-R473 HydrophobicContact CE1-CB 4.15Å; Y466-R473 HydrophobicContact CE2-CB 3.61Å; Y466-R473 HydrophobicContact CG-CB 4.3Å; Y466-Y477 HydrophobicContact CD2-CD2 4.37Å; Y466-Y477 AromaticContact CD2-CE2 3.65Å; Y466-Y477 HydrophobicContact CD2-CE2 3.65Å; Y466-Y477 AromaticContact CD2-CZ 3.82Å; Y466-Y477 HydrophobicContact CE2-CD2 4.24Å; Y466-Y477 AromaticContact CE2-CE2 3.78Å; Y466-Y477 HydrophobicContact CE2-CE2 3.78Å
467	R	77.9	Confident	87.4	Confident	216 Å²	216	55.1 Å²	55.1	82%	0.815	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-69.5	155.7	164.9	-66.2	-177.4	179.8	176.2	0.8	108.8	D469 D470	R467-D469 PolarHBondContact O-N 3.32Å; R467-D470 PolarHBondContact O-N 2.87Å; R467-D470 VanDerWaalsContact O-N 3.08Å
468	Q	65	Low	86.9	Confident	93 Å²	93	56 Å²	56	44%	0.435	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.8	-174.9	-70.2	176.7	5.2	0	0	114
469	D	67.9	Low	86.5	Confident	117 Å²	117	55.4 Å²	55.4	63%	0.626	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	5.2	-175.6	-46.7	-36	0	0	0	112.5	R295 R467 D471	R295-D469 IonicContact CZ-OD1 3.21Å; R295-D469 IonicContact NH1-OD1 2.88Å; R295-D469 PolarHBondContact NH1-OD1 3.04Å; R295-D469 IonicContact NH2-OD1 2.73Å; R295-D469 PolarHBondContact NH2-OD1 2.94Å; R467-D469 PolarHBondContact O-N 3.32Å; D469-D471 PolarHBondContact O-N 3.29Å
470	D	77.1	Confident	86.4	Confident	57 Å²	57	55.4 Å²	55.4	31%	0.305	26%	0.259	S	S	.	.			trans	-93.2	102.4	-179.8	-168.9	-11.2	0	0	0	110.5	Y466 R467 Q472	Y466-D470 HydrophobicContact CD1-CB 4.17Å; Y466-D470 WeakPolarHBondContact CD1-OD2 3.47Å; R467-D470 PolarHBondContact O-N 2.87Å; R467-D470 VanDerWaalsContact O-N 3.08Å; D470-Q472 VanDerWaalsContact C-N 3.32Å; D470-Q472 VanDerWaalsContact OD1-CB 3.3Å; D470-Q472 WeakPolarHBondContact OD1-CB 3.19Å; D470-Q472 PolarHBondContact OD1-N 2.99Å
471	D	75.3	Confident	86.1	Confident	38 Å²	38	56 Å²	56	20%	0.203	26%	0.262	C	S	.	.			trans	-84.5	-1.8	177.8	-78.8	-37.3	0	0	0	113.1	K319 Y329 P332 D469 R473	K319-D471 IonicContact NZ-OD1 2.78Å; K319-D471 PolarHBondContact NZ-OD1 3Å; K319-D471 IonicContact NZ-OD2 3.82Å; K319-D471 PolarHBondContact NZ-OD2 3.38Å; K319-D471 VanDerWaalsContact NZ-OD2 3.16Å; Y329-D471 WeakPolarHBondContact CE2-OD2 3.33Å; P332-D471 HydrophobicContact CG-CB 4.23Å; P332-D471 WeakPolarHBondContact CG-O 3.49Å; D469-D471 PolarHBondContact O-N 3.29Å; D471-R473 PolarHBondContact O-N 3.46Å
472	Q	85.3	Confident	85.8	Confident	81 Å²	81	58 Å²	58	38%	0.379	28%	0.279	S	S	.	.			trans	-79.3	62.4	176.4	-60.5	-169.3	-19.4	0	0	112	Y422 Y466 D470	Y422-Q472 HydrophobicContact CD1-CB 4.36Å; Y422-Q472 WeakPolarHBondContact CD1-O 3.46Å; Y422-Q472 HydrophobicContact CD2-CB 3.87Å; Y422-Q472 WeakPolarHBondContact CE1-O 3.43Å; Y422-Q472 HydrophobicContact CE2-CB 4.41Å; Y422-Q472 HydrophobicContact CG-CB 3.85Å; Y422-Q472 VanDerWaalsContact CZ-O 3.3Å; Y466-Q472 WeakPolarHBondContact CE1-O 3.26Å; Y466-Q472 PolarHBondContact OH-O 3.05Å; D470-Q472 VanDerWaalsContact C-N 3.32Å; D470-Q472 VanDerWaalsContact OD1-CB 3.3Å; D470-Q472 WeakPolarHBondContact OD1-CB 3.19Å; D470-Q472 PolarHBondContact OD1-N 2.99Å
473	R	89.4	Confident	85.8	Confident	31 Å²	31	56.2 Å²	56.2	12%	0.117	27%	0.268	C	S	.	.	S	Bend	trans	-133.3	165.5	-178.9	61.2	-179.8	167.1	-178.7	-7.6	112.1	D298 S372 Y466 D471	D298-R473 IonicContact OD1-NH1 3.97Å; D298-R473 PolarHBondContact OD1-NH1 3.04Å; D298-R473 IonicContact OD2-NH1 3.61Å; D298-R473 PolarHBondContact OD2-NH1 3.38Å; S372-R473 WeakPolarHBondContact OG-CA 3.32Å; Y466-R473 HydrophobicContact CD1-CB 4.43Å; Y466-R473 HydrophobicContact CD2-CB 3.91Å; Y466-R473 HydrophobicContact CE1-CB 4.15Å; Y466-R473 HydrophobicContact CE2-CB 3.61Å; Y466-R473 HydrophobicContact CG-CB 4.3Å; D471-R473 PolarHBondContact O-N 3.46Å
474	S	90.7	Very high	85.7	Confident	5 Å²	5	56.6 Å²	56.6	4%	0.035	27%	0.27	C	S	.	.			trans	-57.6	140.5	176.5	-177.7	0	0	0	0	110.9	S371 S372 T443 H476 Y477	S371-S474 WeakPolarHBondContact OG-CB 3.31Å; S371-S474 PolarHBondContact OG-OG 3Å; S372-S474 PolarHBondContact OG-N 2.99Å; T443-S474 PolarHBondContact OG1-OG 3.24Å; S474-H476 PolarHBondContact O-N 3.2Å; S474-H476 VanDerWaalsContact O-N 3.16Å; S474-H476 PolarHBondContact OG-N 2.81Å; S474-H476 VanDerWaalsContact OG-N 3.13Å; S474-Y477 WeakPolarHBondContact O-CB 3.39Å; S474-Y477 PolarHBondContact O-N 3.31Å
475	S	86.1	Confident	85.7	Confident	61 Å²	61	58.7 Å²	58.7	43%	0.427	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.2	167.9	47.2	0	0	0	0	113.9	D421	D421-S475 WeakPolarHBondContact OD1-CB 3.43Å; D421-S475 PolarHBondContact OD1-N 2.97Å; D421-S475 PolarHBondContact OD1-OG 2.83Å
476	H	89.9	Confident	86	Confident	66 Å²	66	56.5 Å²	56.5	31%	0.306	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	27.2	-179.2	-59.2	75.9	0	0	0	112.2	S474 D478 E479 L480	S474-H476 PolarHBondContact O-N 3.2Å; S474-H476 VanDerWaalsContact O-N 3.16Å; S474-H476 PolarHBondContact OG-N 2.81Å; S474-H476 VanDerWaalsContact OG-N 3.13Å; H476-D478 VanDerWaalsContact C-N 3.31Å; H476-D478 PolarHBondContact O-N 2.82Å; H476-E479 IonicContact CD2-OE1 2.75Å; H476-E479 IonicContact CD2-OE2 2.77Å; H476-E479 PolarHBondContact CD2-OE2 3.24Å; H476-E479 IonicContact CG-OE2 3.49Å; H476-E479 WeakPolarHBondContact O-CB 3.4Å; H476-E479 PolarHBondContact O-N 3.25Å; H476-E479 VanDerWaalsContact O-N 3.1Å; H476-L480 PolarHBondContact O-N 2.81Å
477	Y	90.4	Very high	86.6	Confident	12 Å²	12	55 Å²	55	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-56.1	-37.6	-172.6	-175.3	-115.7	0	0	0	114.7	V463 I464 Y466 S474 E479 L480 L481	V463-Y477 HydrophobicContact CG1-CD2 4.21Å; V463-Y477 HydrophobicContact CG1-CE2 3.59Å; I464-Y477 VanDerWaalsContact O-CE2 3.24Å; I464-Y477 WeakPolarHBondContact O-CE2 3.48Å; I464-Y477 PolarHBondContact O-OH 2.85Å; I464-Y477 VanDerWaalsContact O-OH 3.07Å; Y466-Y477 HydrophobicContact CD2-CD2 4.37Å; Y466-Y477 AromaticContact CD2-CE2 3.65Å; Y466-Y477 HydrophobicContact CD2-CE2 3.65Å; Y466-Y477 AromaticContact CD2-CZ 3.82Å; Y466-Y477 HydrophobicContact CE2-CD2 4.24Å; Y466-Y477 AromaticContact CE2-CE2 3.78Å; Y466-Y477 HydrophobicContact CE2-CE2 3.78Å; S474-Y477 WeakPolarHBondContact O-CB 3.39Å; S474-Y477 PolarHBondContact O-N 3.31Å; Y477-E479 PolarHBondContact O-N 2.85Å; Y477-L480 WeakPolarHBondContact O-CB 3.44Å; Y477-L480 PolarHBondContact O-N 3.31Å; Y477-L481 HydrophobicContact CD1-CD1 4.03Å; Y477-L481 HydrophobicContact CD1-CG 4.49Å; Y477-L481 HydrophobicContact CE1-CD1 3.63Å; Y477-L481 HydrophobicContact CE1-CG 4.16Å; Y477-L481 PolarHBondContact O-N 2.85Å
478	D	85	Confident	87.4	Confident	45 Å²	45	49.1 Å²	49.1	24%	0.241	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-36.7	178.5	-67.2	-37.6	0	0	0	112.4	R312 H476 L480 L481 A482	R312-D478 WeakPolarHBondContact CG-OD2 3.3Å; R312-D478 IonicContact CZ-OD1 3.56Å; R312-D478 IonicContact CZ-OD2 2.7Å; R312-D478 IonicContact NE-OD1 2.77Å; R312-D478 IonicContact NE-OD2 3.28Å; R312-D478 PolarHBondContact NE-OD2 3.46Å; R312-D478 IonicContact NH2-OD1 2.74Å; R312-D478 PolarHBondContact NH2-OD1 3.26Å; R312-D478 IonicContact NH2-OD2 2.94Å; R312-D478 PolarHBondContact NH2-OD2 3.41Å; H476-D478 VanDerWaalsContact C-N 3.31Å; H476-D478 PolarHBondContact O-N 2.82Å; D478-L480 VanDerWaalsContact C-N 3.31Å; D478-L480 PolarHBondContact O-N 3.43Å; D478-L481 PolarHBondContact O-N 2.9Å; D478-A482 WeakPolarHBondContact O-CB 3.31Å; D478-A482 PolarHBondContact O-N 3.17Å
479	E	90.2	Very high	88.8	Confident	85 Å²	85	53.3 Å²	53.3	40%	0.397	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-39.3	175.1	-62.6	173	-174	0	0	110.8	E453 H476 Y477 A482 A483	E453-E479 HydrophobicContact CG-CB 4.49Å; H476-E479 IonicContact CD2-OE1 2.75Å; H476-E479 IonicContact CD2-OE2 2.77Å; H476-E479 PolarHBondContact CD2-OE2 3.24Å; H476-E479 IonicContact CG-OE2 3.49Å; H476-E479 WeakPolarHBondContact O-CB 3.4Å; H476-E479 PolarHBondContact O-N 3.25Å; H476-E479 VanDerWaalsContact O-N 3.1Å; Y477-E479 PolarHBondContact O-N 2.85Å; E479-A482 PolarHBondContact O-N 3.03Å; E479-A483 WeakPolarHBondContact O-CB 3.35Å; E479-A483 PolarHBondContact O-N 3.41Å
480	L	94.5	Very high	90.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-46.4	174.8	-57.9	-179.4	0	0	0	111.3	I373 A452 E453 V463 H476 Y477 D478 A482 A483 E484	I373-L480 HydrophobicContact CG2-CD1 4.12Å; I373-L480 HydrophobicContact CG2-CD2 4.43Å; A452-L480 HydrophobicContact CB-CD2 3.82Å; E453-L480 HydrophobicContact CB-CD2 3.97Å; E453-L480 VanDerWaalsContact N-CD2 3.33Å; V463-L480 HydrophobicContact CG1-CB 4.18Å; V463-L480 HydrophobicContact CG2-CB 3.9Å; V463-L480 WeakPolarHBondContact CG2-O 3.34Å; H476-L480 PolarHBondContact O-N 2.81Å; Y477-L480 WeakPolarHBondContact O-CB 3.44Å; Y477-L480 PolarHBondContact O-N 3.31Å; D478-L480 VanDerWaalsContact C-N 3.31Å; D478-L480 PolarHBondContact O-N 3.43Å; L480-A482 VanDerWaalsContact C-N 3.34Å; L480-A482 PolarHBondContact O-N 2.72Å; L480-A483 WeakPolarHBondContact O-CB 3.31Å; L480-A483 PolarHBondContact O-N 3.34Å; L480-E484 PolarHBondContact O-N 3.46Å
481	L	91.3	Very high	91	Very high	28 Å²	28	51 Å²	51	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-42.5	176.5	-71.3	177.3	0	0	0	112	D298 V463 R465 Y477 D478 A483 E484 A485	D298-L481 HydrophobicContact CB-CD1 4.49Å; V463-L481 HydrophobicContact CB-CD2 4.41Å; V463-L481 HydrophobicContact CG1-CD2 3.89Å; V463-L481 HydrophobicContact CG1-CG 4.44Å; R465-L481 VanDerWaalsContact CZ-CD2 3.45Å; Y477-L481 HydrophobicContact CD1-CD1 4.03Å; Y477-L481 HydrophobicContact CD1-CG 4.49Å; Y477-L481 HydrophobicContact CE1-CD1 3.63Å; Y477-L481 HydrophobicContact CE1-CG 4.16Å; Y477-L481 PolarHBondContact O-N 2.85Å; D478-L481 PolarHBondContact O-N 2.9Å; L481-A483 VanDerWaalsContact C-N 3.33Å; L481-E484 PolarHBondContact O-N 2.94Å; L481-A485 PolarHBondContact O-N 2.89Å
482	A	89.6	Confident	91.9	Very high	43 Å²	43	53.6 Å²	53.6	36%	0.355	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-40.6	175.6	0	0	0	0	0	111.5	D478 E479 L480 A485 R486	D478-A482 WeakPolarHBondContact O-CB 3.31Å; D478-A482 PolarHBondContact O-N 3.17Å; E479-A482 PolarHBondContact O-N 3.03Å; L480-A482 VanDerWaalsContact C-N 3.34Å; L480-A482 PolarHBondContact O-N 2.72Å; A482-A485 PolarHBondContact O-N 3.28Å; A482-R486 WeakPolarHBondContact O-CG 3.44Å; A482-R486 PolarHBondContact O-N 2.93Å
483	A	95.2	Very high	92.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-40.9	174.8	0	0	0	0	0	112.3	E453 V456 E479 L480 L481 R486 A487	E453-A483 HydrophobicContact CG-CB 3.64Å; V456-A483 HydrophobicContact CB-CB 4.2Å; V456-A483 HydrophobicContact CG1-CB 3.87Å; E479-A483 WeakPolarHBondContact O-CB 3.35Å; E479-A483 PolarHBondContact O-N 3.41Å; L480-A483 WeakPolarHBondContact O-CB 3.31Å; L480-A483 PolarHBondContact O-N 3.34Å; L481-A483 VanDerWaalsContact C-N 3.33Å; A483-R486 WeakPolarHBondContact O-CB 3.46Å; A483-R486 PolarHBondContact O-N 3.13Å; A483-A487 PolarHBondContact O-N 3.23Å
484	E	95.3	Very high	92.6	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.056	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-44.5	177.9	-168.2	174.8	-124	0	0	110.8	V456 V463 R465 L480 L481 R486 A487 I488	V456-E484 HydrophobicContact CG1-CB 3.62Å; V456-E484 HydrophobicContact CG1-CG 4.34Å; V456-E484 VanDerWaalsContact CG1-N 3.31Å; V463-E484 HydrophobicContact CG2-CB 3.8Å; V463-E484 HydrophobicContact CG2-CG 4.28Å; V463-E484 PolarHBondContact N-OE1 3.46Å; R465-E484 IonicContact CZ-OE2 2.81Å; R465-E484 IonicContact NE-OE2 3.18Å; R465-E484 IonicContact NH2-OE2 3.19Å; R465-E484 PolarHBondContact NH2-OE2 3.44Å; L480-E484 PolarHBondContact O-N 3.46Å; L481-E484 PolarHBondContact O-N 2.94Å; E484-R486 VanDerWaalsContact C-N 3.27Å; E484-R486 PolarHBondContact O-N 3.27Å; E484-A487 PolarHBondContact O-N 3.43Å; E484-I488 HydrophobicContact CG-CD1 4Å; E484-I488 HydrophobicContact CG-CG1 4.49Å; E484-I488 WeakPolarHBondContact O-CG1 3.41Å; E484-I488 PolarHBondContact O-N 2.69Å
485	A	91.9	Very high	92.8	Very high	58 Å²	58	53.8 Å²	53.8	48%	0.479	29%	0.286	S	S	.	.	H	α-helix	trans	-57.9	-40.2	174.6	0	0	0	0	0	112	L481 A482 K489	L481-A485 PolarHBondContact O-N 2.89Å; A482-A485 PolarHBondContact O-N 3.28Å; A485-K489 VanDerWaalsContact O-CB 3.26Å; A485-K489 WeakPolarHBondContact O-CB 3.31Å; A485-K489 PolarHBondContact O-N 3.21Å
486	R	93.3	Very high	93.2	Very high	107 Å²	107	52.2 Å²	52.2	40%	0.404	28%	0.275	S	S	.	.	H	α-helix	trans	-65.5	-39.2	173.6	-68.8	-173.4	-55.6	-98.9	11.5	112.2	E453 A482 A483 E484 N490	E453-R486 IonicContact OE1-CZ 2.84Å; E453-R486 IonicContact OE1-NH2 3.61Å; E453-R486 PolarHBondContact OE1-NH2 2.94Å; A482-R486 WeakPolarHBondContact O-CG 3.44Å; A482-R486 PolarHBondContact O-N 2.93Å; A483-R486 WeakPolarHBondContact O-CB 3.46Å; A483-R486 PolarHBondContact O-N 3.13Å; E484-R486 VanDerWaalsContact C-N 3.27Å; E484-R486 PolarHBondContact O-N 3.27Å; R486-N490 WeakPolarHBondContact O-CB 3.3Å; R486-N490 VanDerWaalsContact O-CG 3.28Å; R486-N490 PolarHBondContact O-N 3.09Å; R486-N490 VanDerWaalsContact O-N 3.11Å; R486-N490 PolarHBondContact O-ND2 2.66Å
487	A	96.1	Very high	93.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-68.7	-41.5	179	0	0	0	0	0	111.9	V456 A483 E484 N490 G491 K492	V456-A487 WeakPolarHBondContact O-CB 3.36Å; A483-A487 PolarHBondContact O-N 3.23Å; E484-A487 PolarHBondContact O-N 3.43Å; A487-N490 PolarHBondContact O-N 2.84Å; A487-G491 PolarHBondContact O-N 3.49Å; A487-K492 PolarHBondContact O-N 2.8Å
488	I	95.2	Very high	93.4	Very high	93 Å²	93	67 Å²	67	48%	0.477	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-52.9	173.6	-67	166.5	0	0	0	110.5	E484 N490 G491 H495	E484-I488 HydrophobicContact CG-CD1 4Å; E484-I488 HydrophobicContact CG-CG1 4.49Å; E484-I488 WeakPolarHBondContact O-CG1 3.41Å; E484-I488 PolarHBondContact O-N 2.69Å; I488-N490 PolarHBondContact O-N 3.44Å; I488-G491 PolarHBondContact O-N 3.07Å; I488-H495 HydrophobicContact CG1-CB 4.25Å
489	K	94.4	Very high	93.6	Very high	181 Å²	181	73.2 Å²	73.2	79%	0.787	37%	0.366	S	S	*	.	H	α-helix	trans	-56.8	-38.9	-179	-177.6	178.5	179.5	179.9	0	112.3	A485	A485-K489 VanDerWaalsContact O-CB 3.26Å; A485-K489 WeakPolarHBondContact O-CB 3.31Å; A485-K489 PolarHBondContact O-N 3.21Å
490	N	95.9	Very high	93.6	Very high	96 Å²	96	72.1 Å²	72.1	51%	0.513	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	2	-178.4	-63.3	-45	0	0	0	113.6	R486 A487 I488 K492	R486-N490 WeakPolarHBondContact O-CB 3.3Å; R486-N490 VanDerWaalsContact O-CG 3.28Å; R486-N490 PolarHBondContact O-N 3.09Å; R486-N490 VanDerWaalsContact O-N 3.11Å; R486-N490 PolarHBondContact O-ND2 2.66Å; A487-N490 PolarHBondContact O-N 2.84Å; I488-N490 PolarHBondContact O-N 3.44Å; N490-K492 HydrophobicContact CB-CD 4.26Å; N490-K492 HydrophobicContact CB-CG 4Å; N490-K492 PolarHBondContact O-N 2.73Å
491	G	95.4	Very high	93.4	Very high	29 Å²	29	74.6 Å²	74.6	30%	0.299	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	52.1	-178.9	0	0	0	0	0	113.7	A487 I488 H495 S496	A487-G491 PolarHBondContact O-N 3.49Å; I488-G491 PolarHBondContact O-N 3.07Å; G491-H495 WeakPolarHBondContact CA-O 3.33Å; G491-S496 WeakPolarHBondContact O-CA 3.45Å; G491-S496 VanDerWaalsContact O-CB 3.24Å; G491-S496 WeakPolarHBondContact O-CB 3.22Å
492	K	95.7	Very high	93.3	Very high	92 Å²	92	79 Å²	79	40%	0.4	40%	0.404	S	S	.	.			trans	-99.2	144.9	-177.7	-64.4	-176.9	178.2	178.8	0	112.2	S457 K458 A487 N490 L494 H495	S457-K492 WeakPolarHBondContact O-CD 3.49Å; K458-K492 WeakPolarHBondContact O-CB 3.4Å; A487-K492 PolarHBondContact O-N 2.8Å; N490-K492 HydrophobicContact CB-CD 4.26Å; N490-K492 HydrophobicContact CB-CG 4Å; N490-K492 PolarHBondContact O-N 2.73Å; K492-L494 PolarHBondContact O-N 2.98Å; K492-H495 WeakPolarHBondContact O-CB 3.31Å; K492-H495 PolarHBondContact O-N 2.92Å
493	G	94.5	Very high	93.4	Very high	12 Å²	12	78.9 Å²	78.9	12%	0.124	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	52.5	-125.1	173.6	0	0	0	0	0	112.2	Y399 K458 G459 H495 S496	Y399-G493 VanDerWaalsContact CE2-C 3.49Å; Y399-G493 WeakPolarHBondContact CE2-O 3.33Å; Y399-G493 VanDerWaalsContact CZ-C 3.48Å; Y399-G493 PolarHBondContact OH-O 3.45Å; K458-G493 PolarHBondContact O-N 3.45Å; G459-G493 WeakPolarHBondContact O-CA 3.5Å; G493-H495 PolarHBondContact O-N 3.43Å; G493-S496 WeakPolarHBondContact O-CB 3.44Å; G493-S496 PolarHBondContact O-N 3.5Å
494	L	93.4	Very high	93.2	Very high	59 Å²	59	89 Å²	89	31%	0.309	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-57.2	-19.7	176.4	-67.3	169.5	0	0	0	114.7	P376 Y399 G459 T462 K492	P376-L494 HydrophobicContact CB-CD1 4.22Å; P376-L494 HydrophobicContact CB-CD2 4.19Å; P376-L494 HydrophobicContact CG-CD1 4.11Å; Y399-L494 HydrophobicContact CD2-CD2 3.81Å; Y399-L494 HydrophobicContact CD2-CG 4.23Å; G459-L494 WeakPolarHBondContact O-CB 3.39Å; G459-L494 WeakPolarHBondContact O-CG 3.14Å; G459-L494 PolarHBondContact O-N 3.09Å; T462-L494 HydrophobicContact CG2-CD1 3.93Å; K492-L494 PolarHBondContact O-N 2.98Å
495	H	94.8	Very high	93	Very high	50 Å²	50	88.8 Å²	88.8	23%	0.231	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-97.6	0.2	176.3	-53.2	-61.5	0	0	0	113.3	I488 G491 K492 G493	I488-H495 HydrophobicContact CG1-CB 4.25Å; G491-H495 WeakPolarHBondContact CA-O 3.33Å; K492-H495 WeakPolarHBondContact O-CB 3.31Å; K492-H495 PolarHBondContact O-N 2.92Å; G493-H495 PolarHBondContact O-N 3.43Å
496	S	94.5	Very high	92.9	Very high	29 Å²	29	88.2 Å²	88.2	20%	0.203	43%	0.429	C	S	.	.			trans	-69	140.5	173.5	-177	0	0	0	0	110.5	G491 G493 K498	G491-S496 WeakPolarHBondContact O-CA 3.45Å; G491-S496 VanDerWaalsContact O-CB 3.24Å; G491-S496 WeakPolarHBondContact O-CB 3.22Å; G493-S496 WeakPolarHBondContact O-CB 3.44Å; G493-S496 PolarHBondContact O-N 3.5Å; S496-K498 VanDerWaalsContact C-N 3.34Å; S496-K498 VanDerWaalsContact OG-CB 3.32Å; S496-K498 WeakPolarHBondContact OG-CB 3.44Å; S496-K498 PolarHBondContact OG-N 2.82Å
497	K	92.6	Very high	92.8	Very high	217 Å²	217	85.4 Å²	85.4	94%	0.943	42%	0.422	S	S	*	.			trans	-91.3	0.8	168.1	-61.9	-174.9	179.3	-177.6	0	112.7
498	K	93.1	Very high	92.6	Very high	171 Å²	171	85.6 Å²	85.6	74%	0.743	42%	0.423	S	S	*	.	S	Bend	trans	-74.7	162.5	175.7	-59	-177.6	178.7	-176.9	0	110.2	S496 V500	S496-K498 VanDerWaalsContact C-N 3.34Å; S496-K498 VanDerWaalsContact OG-CB 3.32Å; S496-K498 WeakPolarHBondContact OG-CB 3.44Å; S496-K498 PolarHBondContact OG-N 2.82Å; K498-V500 PolarHBondContact O-N 3.2Å
499	E	88.1	Confident	92.1	Very high	175 Å²	175	82.5 Å²	82.5	82%	0.818	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-54.6	137.5	174.4	-165.8	172.9	-176	0	0	111.1
500	V	90.3	Very high	91.2	Very high	63 Å²	63	75.9 Å²	75.9	38%	0.382	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-71.9	131.8	-177.7	176.2	0	0	0	0	109.3	P398 Y399 K498 I502	P398-V500 HydrophobicContact CB-CG1 3.58Å; P398-V500 HydrophobicContact CG-CG1 3.94Å; Y399-V500 HydrophobicContact CE2-CG1 4.39Å; Y399-V500 HydrophobicContact CE2-CG2 4.49Å; K498-V500 PolarHBondContact O-N 3.2Å; V500-I502 PolarHBondContact O-N 3.21Å
501	P	90.6	Very high	90.8	Very high	51 Å²	51	75.2 Å²	75.2	33%	0.331	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-60.5	128.3	175.6	-25.5	36.5	0	0	0	112.4	Y399 E402	Y399-P501 HydrophobicContact CD1-CG 4.48Å; Y399-P501 HydrophobicContact CE1-CG 3.93Å; E402-P501 WeakPolarHBondContact OE1-CB 3.36Å; E402-P501 VanDerWaalsContact OE1-CG 3.28Å; E402-P501 WeakPolarHBondContact OE1-CG 3.37Å
502	I	89.6	Confident	90.4	Very high	122 Å²	122	75.9 Å²	75.9	63%	0.626	39%	0.385	S	S	*	.			trans	-105.2	124.3	178.5	-58	177.2	0	0	0	109.4	V500 R504	V500-I502 PolarHBondContact O-N 3.21Å; I502-R504 HydrophobicContact CG2-CG 4.14Å
503	H	91.5	Very high	90.1	Very high	40 Å²	40	78 Å²	78	19%	0.185	40%	0.396	C	S	.	.			trans	-104.6	98.4	-179.5	-61.6	86.2	0	0	0	111.1	Y395 F401 E402 V505	Y395-H503 HydrophobicContact CD1-CB 4.49Å; F401-H503 AromaticContact CD1-CD2 3.45Å; F401-H503 VanDerWaalsContact CD1-CD2 3.45Å; F401-H503 WeakPolarHBondContact CD1-CD2 3.25Å; F401-H503 AromaticContact CD1-CE1 3.99Å; F401-H503 AromaticContact CD1-NE2 3.24Å; F401-H503 WeakPolarHBondContact CD1-NE2 3.24Å; F401-H503 AromaticContact CE1-CD2 3.95Å; F401-H503 AromaticContact CE1-NE2 3.97Å; F401-H503 AromaticContact CG-CD2 3.82Å; F401-H503 AromaticContact CG-NE2 3.86Å; E402-H503 VanDerWaalsContact CD-CE1 3.48Å; E402-H503 IonicContact OE1-CE1 3.94Å; E402-H503 PolarHBondContact OE1-CE1 3.33Å; E402-H503 IonicContact OE1-NE2 2.66Å; E402-H503 IonicContact OE2-CE1 3.01Å; E402-H503 PolarHBondContact OE2-CE1 2.99Å; H503-V505 PolarHBondContact O-N 3.24Å
504	R	90.6	Very high	89.9	Confident	211 Å²	211	81.2 Å²	81.2	80%	0.796	41%	0.407	S	S	*	.			trans	-88.1	89.1	176.6	-62.3	-174.7	-174.9	-134.2	0.6	110.2	I502	I502-R504 HydrophobicContact CG2-CG 4.14Å
505	V	91.6	Very high	89.7	Confident	8 Å²	8	78.4 Å²	78.4	5%	0.048	39%	0.392	C	S	.	.			trans	-100.1	119	178.1	-178.2	0	0	0	0	110.5	R392 Y395 H503 Y544 T549 L551	R392-V505 VanDerWaalsContact CZ-O 3.26Å; R392-V505 PolarHBondContact NH1-O 2.8Å; R392-V505 PolarHBondContact NH2-O 2.97Å; Y395-V505 HydrophobicContact CD1-CB 4.27Å; Y395-V505 HydrophobicContact CD1-CG2 3.6Å; Y395-V505 HydrophobicContact CD2-CB 4.45Å; Y395-V505 HydrophobicContact CE1-CB 4.3Å; Y395-V505 HydrophobicContact CE1-CG1 4.45Å; Y395-V505 HydrophobicContact CE1-CG2 3.71Å; Y395-V505 HydrophobicContact CE2-CB 4.49Å; Y395-V505 HydrophobicContact CE2-CG1 4.48Å; Y395-V505 HydrophobicContact CG-CB 4.34Å; Y395-V505 HydrophobicContact CG-CG2 4.09Å; H503-V505 PolarHBondContact O-N 3.24Å; V505-Y544 HydrophobicContact CG1-CD2 4.03Å; V505-Y544 HydrophobicContact CG1-CE2 3.84Å; V505-Y544 HydrophobicContact CG2-CE2 3.97Å; V505-T549 WeakPolarHBondContact CA-O 3.24Å; V505-L551 HydrophobicContact CG1-CD1 4.04Å; V505-L551 HydrophobicContact CG1-CG 3.89Å
506	A	90.6	Very high	89.5	Confident	46 Å²	46	81.5 Å²	81.5	38%	0.38	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	139.5	172.3	0	0	0	0	0	110.1	T549 C550 L551	A506-T549 PolarHBondContact N-O 2.95Å; A506-C550 HydrophobicContact CB-CB 4.09Å; A506-C550 CarbonylContact O-C 3.51Å; A506-C550 WeakPolarHBondContact O-CA 3.4Å; A506-L551 PolarHBondContact O-N 3.36Å
507	D	90.3	Very high	89.4	Confident	49 Å²	49	86.1 Å²	86.1	26%	0.262	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.1	169.1	-160	-19.8	0	0	0	108.2	S509 K542 L551	D507-S509 WeakPolarHBondContact OD1-CB 3.43Å; D507-S509 PolarHBondContact OD1-N 2.89Å; D507-S509 VanDerWaalsContact OD1-N 3.09Å; D507-S509 PolarHBondContact OD1-OG 2.99Å; D507-K542 IonicContact OD1-NZ 3.47Å; D507-K542 IonicContact OD2-NZ 3.64Å; D507-K542 PolarHBondContact OD2-NZ 3.5Å; D507-L551 HydrophobicContact CB-CB 4.44Å; D507-L551 HydrophobicContact CB-CD1 4.38Å
508	I	91.1	Very high	89.3	Confident	3 Å²	3	78.6 Å²	78.6	2%	0.015	39%	0.39	C	S	.	.			trans	-115.6	8.2	177.3	67.3	170.8	0	0	0	111.5	G510 E511 K514 F518 L551 I552 F608	I508-G510 PolarHBondContact O-N 3.47Å; I508-E511 PolarHBondContact O-N 3.08Å; I508-K514 HydrophobicContact CB-CB 4.13Å; I508-K514 HydrophobicContact CG2-CB 3.91Å; I508-K514 HydrophobicContact CG2-CD 3.76Å; I508-F518 HydrophobicContact CD1-CB 4Å; I508-F518 HydrophobicContact CD1-CD1 4.1Å; I508-F518 HydrophobicContact CD1-CD2 4.05Å; I508-F518 HydrophobicContact CD1-CG 3.78Å; I508-L551 WeakPolarHBondContact CG1-O 3.4Å; I508-L551 PolarHBondContact N-O 3.17Å; I508-I552 HydrophobicContact CD1-CG2 3.71Å; I508-I552 HydrophobicContact CG1-CG2 3.71Å; I508-F608 HydrophobicContact CD1-CE2 3.94Å; I508-F608 HydrophobicContact CD1-CZ 4.17Å
509	S	85	Confident	89.3	Confident	28 Å²	28	71.8 Å²	71.8	20%	0.196	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	117.8	176.7	-78.2	0	0	0	0	111.6	D507 E511 K542 L551 I552 T553	D507-S509 WeakPolarHBondContact OD1-CB 3.43Å; D507-S509 PolarHBondContact OD1-N 2.89Å; D507-S509 VanDerWaalsContact OD1-N 3.09Å; D507-S509 PolarHBondContact OD1-OG 2.99Å; S509-E511 VanDerWaalsContact C-N 3.25Å; S509-E511 PolarHBondContact O-N 2.81Å; S509-K542 WeakPolarHBondContact OG-CE 3.42Å; S509-L551 PolarHBondContact N-O 2.78Å; S509-I552 VanDerWaalsContact OG-C 3.26Å; S509-T553 VanDerWaalsContact CA-OG1 3.32Å; S509-T553 WeakPolarHBondContact CA-OG1 3.42Å; S509-T553 WeakPolarHBondContact CB-OG1 3.24Å; S509-T553 PolarHBondContact OG-N 3.41Å; S509-T553 PolarHBondContact OG-OG1 3.4Å
510	G	76.9	Confident	89.5	Confident	42 Å²	42	65.6 Å²	65.6	43%	0.433	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	7.4	176.5	0	0	0	0	0	114.7	I508 A605	I508-G510 PolarHBondContact O-N 3.47Å; G510-A605 CarbonylContact C-O 3.56Å; G510-A605 WeakPolarHBondContact CA-O 3.43Å
511	E	85.9	Confident	89.5	Confident	82 Å²	82	69 Å²	69	38%	0.383	35%	0.347	S	S	.	.			trans	-100.7	90.2	178.1	-70.5	-163.6	-149	0	0	111.1	I508 S509 Q513 K514 A515	I508-E511 PolarHBondContact O-N 3.08Å; S509-E511 VanDerWaalsContact C-N 3.25Å; S509-E511 PolarHBondContact O-N 2.81Å; E511-Q513 VanDerWaalsContact C-N 3.28Å; E511-Q513 PolarHBondContact O-N 2.85Å; E511-Q513 VanDerWaalsContact O-N 3.13Å; E511-K514 HydrophobicContact CB-CB 4.24Å; E511-K514 HydrophobicContact CB-CG 4.5Å; E511-K514 PolarHBondContact O-N 2.63Å; E511-K514 VanDerWaalsContact O-N 3.15Å; E511-K514 IonicContact OE1-NZ 2.84Å; E511-K514 PolarHBondContact OE1-NZ 3.45Å; E511-K514 WeakPolarHBondContact OE2-CD 3.26Å; E511-K514 WeakPolarHBondContact OE2-CE 3.41Å; E511-K514 WeakPolarHBondContact OE2-CG 3.45Å; E511-K514 IonicContact OE2-NZ 3.69Å; E511-K514 PolarHBondContact OE2-NZ 2.86Å; E511-A515 WeakPolarHBondContact O-CB 3.37Å; E511-A515 PolarHBondContact O-N 3.22Å
512	T	87.9	Confident	89.6	Confident	44 Å²	44	66.7 Å²	66.7	27%	0.27	33%	0.332	S	S	.	.	H	α-helix	trans	-53.1	-39.2	-173.2	-50.3	0	0	0	0	114.1	K516 M602 K604	T512-K516 WeakPolarHBondContact O-CG 3.27Å; T512-K516 PolarHBondContact O-N 3.43Å; T512-K516 VanDerWaalsContact O-N 3.08Å; T512-M602 HydrophobicContact CG2-CE 4.27Å; T512-K604 WeakPolarHBondContact CG2-O 3.33Å; T512-K604 PolarHBondContact OG1-O 2.65Å
513	Q	89.1	Confident	89.7	Confident	136 Å²	136	65 Å²	65	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-68	-45.3	-179.3	-67.7	-65.3	-10.1	0	0	112.3	E511 Q517	E511-Q513 VanDerWaalsContact C-N 3.28Å; E511-Q513 PolarHBondContact O-N 2.85Å; E511-Q513 VanDerWaalsContact O-N 3.13Å; Q513-Q517 PolarHBondContact O-N 3.32Å
514	K	89.4	Confident	89.8	Confident	80 Å²	80	71.1 Å²	71.1	35%	0.348	34%	0.343	S	S	.	.	H	α-helix	trans	-68.4	-41.6	176	-67.8	-170.5	-170.6	144.1	0	111.2	I508 E511 K516 Q517 F518	I508-K514 HydrophobicContact CB-CB 4.13Å; I508-K514 HydrophobicContact CG2-CB 3.91Å; I508-K514 HydrophobicContact CG2-CD 3.76Å; E511-K514 HydrophobicContact CB-CB 4.24Å; E511-K514 HydrophobicContact CB-CG 4.5Å; E511-K514 PolarHBondContact O-N 2.63Å; E511-K514 VanDerWaalsContact O-N 3.15Å; E511-K514 IonicContact OE1-NZ 2.84Å; E511-K514 PolarHBondContact OE1-NZ 3.45Å; E511-K514 WeakPolarHBondContact OE2-CD 3.26Å; E511-K514 WeakPolarHBondContact OE2-CE 3.41Å; E511-K514 WeakPolarHBondContact OE2-CG 3.45Å; E511-K514 IonicContact OE2-NZ 3.69Å; E511-K514 PolarHBondContact OE2-NZ 2.86Å; K514-K516 VanDerWaalsContact C-N 3.29Å; K514-K516 PolarHBondContact O-N 3.36Å; K514-Q517 WeakPolarHBondContact O-CB 3.45Å; K514-Q517 PolarHBondContact O-N 3.04Å; K514-F518 WeakPolarHBondContact O-CD2 3.25Å; K514-F518 PolarHBondContact O-N 2.8Å; K514-F518 VanDerWaalsContact O-N 3.12Å
515	A	89.6	Confident	89.8	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.5	-40.2	178.2	0	0	0	0	0	112.2	E511 Q517 F518 L519 M602 F608	E511-A515 WeakPolarHBondContact O-CB 3.37Å; E511-A515 PolarHBondContact O-N 3.22Å; A515-Q517 VanDerWaalsContact C-N 3.31Å; A515-Q517 PolarHBondContact O-N 2.85Å; A515-F518 PolarHBondContact O-N 2.97Å; A515-L519 WeakPolarHBondContact O-CB 3.3Å; A515-L519 PolarHBondContact O-N 2.91Å; A515-M602 HydrophobicContact CB-CE 3.45Å; A515-M602 VanDerWaalsContact CB-CE 3.45Å; A515-M602 HydrophobicContact CB-SD 4.37Å; A515-F608 HydrophobicContact CB-CE1 4.37Å; A515-F608 HydrophobicContact CB-CE2 4.07Å; A515-F608 HydrophobicContact CB-CZ 3.76Å; A515-F608 WeakPolarHBondContact O-CZ 3.36Å
516	K	91.5	Very high	89.8	Confident	114 Å²	114	64.7 Å²	64.7	50%	0.496	34%	0.338	S	S	.	.	H	α-helix	trans	-60.4	-36.5	173	-78.3	177.8	179.6	179.7	0	113.6	T512 K514 P520 M602	T512-K516 WeakPolarHBondContact O-CG 3.27Å; T512-K516 PolarHBondContact O-N 3.43Å; T512-K516 VanDerWaalsContact O-N 3.08Å; K514-K516 VanDerWaalsContact C-N 3.29Å; K514-K516 PolarHBondContact O-N 3.36Å; K516-P520 WeakPolarHBondContact O-CD 3.44Å; K516-M602 HydrophobicContact CB-SD 4.36Å; K516-M602 HydrophobicContact CG-CE 4.05Å; K516-M602 HydrophobicContact CG-SD 3.67Å
517	Q	92.1	Very high	89.9	Confident	126 Å²	126	68.1 Å²	68.1	59%	0.589	34%	0.342	S	S	*	.	H	α-helix	trans	-68.9	-37.3	177.8	-66.9	173.4	0.1	0	0	111.6	Q513 K514 A515 F521	Q513-Q517 PolarHBondContact O-N 3.32Å; K514-Q517 WeakPolarHBondContact O-CB 3.45Å; K514-Q517 PolarHBondContact O-N 3.04Å; A515-Q517 VanDerWaalsContact C-N 3.31Å; A515-Q517 PolarHBondContact O-N 2.85Å; Q517-F521 VanDerWaalsContact O-CD2 3.23Å; Q517-F521 WeakPolarHBondContact O-CD2 3.46Å; Q517-F521 VanDerWaalsContact O-CE2 3.25Å; Q517-F521 WeakPolarHBondContact O-CE2 3.49Å
518	F	90.8	Very high	90.2	Very high	60 Å²	60	66 Å²	66	26%	0.263	33%	0.33	S	S	.	.	H	α-helix	trans	-83.1	-26.4	-178.2	-81.8	-106.4	0	0	0	113.6	I508 K514 A515 F521 L522 F608	I508-F518 HydrophobicContact CD1-CB 4Å; I508-F518 HydrophobicContact CD1-CD1 4.1Å; I508-F518 HydrophobicContact CD1-CD2 4.05Å; I508-F518 HydrophobicContact CD1-CG 3.78Å; K514-F518 WeakPolarHBondContact O-CD2 3.25Å; K514-F518 PolarHBondContact O-N 2.8Å; K514-F518 VanDerWaalsContact O-N 3.12Å; A515-F518 PolarHBondContact O-N 2.97Å; F518-F521 WeakPolarHBondContact O-CB 3.22Å; F518-F521 PolarHBondContact O-N 2.8Å; F518-L522 HydrophobicContact CB-CD1 4.31Å; F518-L522 PolarHBondContact O-N 3.29Å; F518-L522 VanDerWaalsContact O-N 3.08Å; F518-F608 HydrophobicContact CB-CZ 4.14Å
519	L	92.1	Very high	90.4	Very high	28 Å²	28	71 Å²	71	15%	0.147	35%	0.354	C	S	.	.	H	α-helix	trans	-49.9	-50.1	-174.9	178.4	68.4	0	0	0	114	A515 F521 L522 Q523 V599 M602 F608	A515-L519 WeakPolarHBondContact O-CB 3.3Å; A515-L519 PolarHBondContact O-N 2.91Å; L519-F521 PolarHBondContact O-N 2.82Å; L519-L522 PolarHBondContact O-N 2.8Å; L519-Q523 HydrophobicContact CD1-CG 3.99Å; L519-Q523 HydrophobicContact CG-CG 4.3Å; L519-Q523 WeakPolarHBondContact O-CB 3.37Å; L519-Q523 WeakPolarHBondContact O-CG 3.42Å; L519-Q523 PolarHBondContact O-N 2.85Å; L519-V599 HydrophobicContact CD1-CG1 3.73Å; L519-M602 HydrophobicContact CB-SD 4.37Å; L519-M602 HydrophobicContact CD1-CB 4.42Å; L519-M602 HydrophobicContact CD2-CG 3.89Å; L519-M602 HydrophobicContact CD2-SD 3.97Å; L519-F608 HydrophobicContact CB-CE1 4.01Å; L519-F608 HydrophobicContact CD1-CD1 3.91Å; L519-F608 HydrophobicContact CD1-CE1 4.04Å
520	P	93	Very high	91	Very high	45 Å²	45	69.8 Å²	69.8	29%	0.292	35%	0.345	S	S	.	.	H	α-helix	trans	-64.6	-30.1	-177.5	-20.4	33.5	0	0	0	112.9	K516 R524	K516-P520 WeakPolarHBondContact O-CD 3.44Å; P520-R524 VanDerWaalsContact CB-NH1 3.3Å; P520-R524 WeakPolarHBondContact O-CB 3.42Å; P520-R524 WeakPolarHBondContact O-CG 3.28Å; P520-R524 PolarHBondContact O-N 3.06Å; P520-R524 PolarHBondContact O-NE 3.09Å; P520-R524 PolarHBondContact O-NH1 3.25Å
521	F	91.3	Very high	92	Very high	134 Å²	134	68 Å²	68	59%	0.588	33%	0.326	S	S	*	.	H	α-helix	trans	-72.8	-45.7	178.3	-60.9	-86.4	0	0	0	110.9	Q517 F518 L519 Q523 R524 A525	Q517-F521 VanDerWaalsContact O-CD2 3.23Å; Q517-F521 WeakPolarHBondContact O-CD2 3.46Å; Q517-F521 VanDerWaalsContact O-CE2 3.25Å; Q517-F521 WeakPolarHBondContact O-CE2 3.49Å; F518-F521 WeakPolarHBondContact O-CB 3.22Å; F518-F521 PolarHBondContact O-N 2.8Å; L519-F521 PolarHBondContact O-N 2.82Å; F521-Q523 PolarHBondContact O-N 2.66Å; F521-R524 PolarHBondContact O-N 2.77Å; F521-A525 WeakPolarHBondContact O-CB 3.46Å; F521-A525 PolarHBondContact O-N 3.4Å
522	L	91.9	Very high	92.6	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-66.6	-36.3	178.8	-63.8	176.2	0	0	0	112.2	F518 L519 A525 M545 V599 F608	F518-L522 HydrophobicContact CB-CD1 4.31Å; F518-L522 PolarHBondContact O-N 3.29Å; F518-L522 VanDerWaalsContact O-N 3.08Å; L519-L522 PolarHBondContact O-N 2.8Å; L522-A525 PolarHBondContact O-N 3.3Å; L522-M545 HydrophobicContact CD2-CE 4.39Å; L522-V599 HydrophobicContact CB-CB 3.92Å; L522-V599 HydrophobicContact CB-CG1 4.15Å; L522-V599 HydrophobicContact CB-CG2 3.92Å; L522-V599 HydrophobicContact CD1-CG2 4.32Å; L522-F608 HydrophobicContact CD1-CD1 4.14Å; L522-F608 HydrophobicContact CD1-CD2 4.45Å; L522-F608 HydrophobicContact CD1-CE1 3.76Å; L522-F608 HydrophobicContact CD1-CE2 4.09Å; L522-F608 HydrophobicContact CD1-CG 4.45Å; L522-F608 HydrophobicContact CD1-CZ 3.71Å
523	Q	92.5	Very high	93	Very high	88 Å²	88	63.3 Å²	63.3	41%	0.411	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-45.6	172.9	-74.7	173.9	-42.9	0	0	111.9	L519 F521 A525 G526 V599 E600	L519-Q523 HydrophobicContact CD1-CG 3.99Å; L519-Q523 HydrophobicContact CG-CG 4.3Å; L519-Q523 WeakPolarHBondContact O-CB 3.37Å; L519-Q523 WeakPolarHBondContact O-CG 3.42Å; L519-Q523 PolarHBondContact O-N 2.85Å; F521-Q523 PolarHBondContact O-N 2.66Å; Q523-A525 VanDerWaalsContact C-N 3.33Å; Q523-A525 PolarHBondContact O-N 3.15Å; Q523-G526 PolarHBondContact O-N 3.35Å; Q523-V599 WeakPolarHBondContact CG-O 3.45Å; Q523-E600 PolarHBondContact NE2-O 2.77Å
524	R	92.8	Very high	93.3	Very high	168 Å²	168	62.3 Å²	62.3	63%	0.634	29%	0.292	S	S	*	.	H	α-helix	trans	-71.5	-26.8	-179.8	-74.3	-172.1	-59.5	-90.5	-0.5	113.5	P520 F521 G526	P520-R524 VanDerWaalsContact CB-NH1 3.3Å; P520-R524 WeakPolarHBondContact O-CB 3.42Å; P520-R524 WeakPolarHBondContact O-CG 3.28Å; P520-R524 PolarHBondContact O-N 3.06Å; P520-R524 PolarHBondContact O-NE 3.09Å; P520-R524 PolarHBondContact O-NH1 3.25Å; F521-R524 PolarHBondContact O-N 2.77Å; R524-G526 PolarHBondContact O-N 3.46Å
525	A	91.1	Very high	93.7	Very high	51 Å²	51	58.6 Å²	58.6	42%	0.421	28%	0.276	S	S	.	.	H	α-helix	trans	-66.4	-20.4	177.1	0	0	0	0	0	112.6	F521 L522 Q523 R527 S528	F521-A525 WeakPolarHBondContact O-CB 3.46Å; F521-A525 PolarHBondContact O-N 3.4Å; L522-A525 PolarHBondContact O-N 3.3Å; Q523-A525 VanDerWaalsContact C-N 3.33Å; Q523-A525 PolarHBondContact O-N 3.15Å; A525-R527 PolarHBondContact O-N 2.98Å; A525-S528 WeakPolarHBondContact CB-OG 3.48Å
526	G	91.5	Very high	93.8	Very high	32 Å²	32	62.7 Å²	62.7	33%	0.33	29%	0.294	S	S	.	.			trans	64.4	-125.2	-175.4	0	0	0	0	0	110.6	Q523 R524 S528	Q523-G526 PolarHBondContact O-N 3.35Å; R524-G526 PolarHBondContact O-N 3.46Å; G526-S528 PolarHBondContact O-N 2.99Å
527	R	92.8	Very high	93.9	Very high	119 Å²	119	58.3 Å²	58.3	45%	0.449	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	111.8	175.8	-74.3	-172.8	176.8	-150.3	-0.8	111.2	A525 E596 E598 H613	A525-R527 PolarHBondContact O-N 2.98Å; R527-E596 WeakPolarHBondContact CD-OE2 3.45Å; R527-E596 IonicContact CZ-OE2 2.99Å; R527-E596 IonicContact NH1-OE2 3.86Å; R527-E596 PolarHBondContact NH1-OE2 2.73Å; R527-E598 HydrophobicContact CB-CG 4.5Å; R527-E598 HydrophobicContact CG-CG 3.55Å; R527-E598 VanDerWaalsContact CG-OE1 3.25Å; R527-E598 WeakPolarHBondContact CG-OE1 3.43Å; R527-E598 IonicContact CZ-OE1 2.68Å; R527-E598 IonicContact NE-OE1 3.18Å; R527-E598 PolarHBondContact NE-OE1 3.28Å; R527-E598 IonicContact NH2-OE1 3.34Å; R527-E598 PolarHBondContact NH2-OE1 2.94Å; R527-H613 PolarHBondContact NH2-NE2 3.3Å
528	S	95.4	Very high	93.9	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.028	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.4	178.4	-58	0	0	0	0	110.4	A525 G526 M545 E596 V597	A525-S528 WeakPolarHBondContact CB-OG 3.48Å; G526-S528 PolarHBondContact O-N 2.99Å; S528-M545 VanDerWaalsContact CB-CE 3.41Å; S528-E596 CarbonylContact O-C 3.58Å; S528-E596 WeakPolarHBondContact O-CA 3.46Å; S528-V597 PolarHBondContact N-O 3.13Å; S528-V597 PolarHBondContact O-N 3.45Å
529	E	96.4	Very high	94	Very high	108 Å²	108	50.5 Å²	50.5	51%	0.505	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	136.9	174.5	-67.7	171.7	171.8	0	0	110.2	P546	E529-P546 VanDerWaalsContact O-CD 3.26Å; E529-P546 WeakPolarHBondContact O-CD 3.5Å
530	A	97.4	Very high	94.2	Very high	2 Å²	2	53 Å²	53	2%	0.017	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	160	178	0	0	0	0	0	111.6	L543 Y544 M545 E594 V595 V597	A530-L543 HydrophobicContact CB-CB 4.22Å; A530-L543 HydrophobicContact CB-CD1 4.37Å; A530-Y544 CarbonylContact C-O 3.57Å; A530-Y544 VanDerWaalsContact CA-O 3.26Å; A530-Y544 WeakPolarHBondContact CA-O 3.45Å; A530-M545 HydrophobicContact CB-CE 4.39Å; A530-M545 HydrophobicContact CB-SD 3.57Å; A530-M545 VanDerWaalsContact CB-SD 3.57Å; A530-E594 WeakPolarHBondContact O-CA 3.39Å; A530-V595 HydrophobicContact CB-CG2 3.99Å; A530-V595 PolarHBondContact N-O 3.28Å; A530-V595 PolarHBondContact O-N 3.5Å; A530-V597 HydrophobicContact CB-CG2 4.14Å
531	V	98	Very high	94.4	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.03	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.1	169.6	-180	0	0	0	0	108.6	E533 L543 Y544 R593 E594	V531-E533 PolarHBondContact O-N 3.5Å; V531-E533 VanDerWaalsContact O-N 3.12Å; V531-L543 CarbonylContact O-C 3.47Å; V531-L543 WeakPolarHBondContact O-CA 3.37Å; V531-Y544 PolarHBondContact N-O 3.36Å; V531-Y544 PolarHBondContact O-N 3.09Å; V531-R593 WeakPolarHBondContact CA-O 3.28Å; V531-E594 HydrophobicContact CG2-CG 4.09Å
532	V	98.1	Very high	94.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	104.7	176.4	-176.6	0	0	0	0	109.8	V535 L541 L543 V590 Q592 R593 V595 L612	V532-V535 HydrophobicContact CG1-CG2 3.93Å; V532-L541 HydrophobicContact CG1-CD2 3.82Å; V532-L541 HydrophobicContact CG2-CD2 4.29Å; V532-L543 HydrophobicContact CB-CD2 4.21Å; V532-L543 HydrophobicContact CG1-CD2 4.38Å; V532-L543 HydrophobicContact CG2-CD2 3.73Å; V532-V590 VanDerWaalsContact CB-O 3.25Å; V532-V590 WeakPolarHBondContact CB-O 3.16Å; V532-V590 HydrophobicContact CG1-CG2 4.34Å; V532-V590 HydrophobicContact CG2-CB 4Å; V532-V590 HydrophobicContact CG2-CG2 4.11Å; V532-V590 WeakPolarHBondContact CG2-O 3.12Å; V532-Q592 WeakPolarHBondContact O-CA 3.46Å; V532-Q592 PolarHBondContact O-N 3.39Å; V532-R593 PolarHBondContact N-O 3.39Å; V532-V595 HydrophobicContact CG2-CG1 3.89Å; V532-V595 HydrophobicContact CG2-CG2 3.88Å; V532-L612 HydrophobicContact CG2-CD1 4.42Å
533	E	96.2	Very high	95	Very high	27 Å²	27	46.5 Å²	46.5	13%	0.126	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-34.5	178.6	-77.2	-60.7	147.4	0	0	112.3	R404 V531 K542 L551	R404-E533 IonicContact CZ-OE1 3.44Å; R404-E533 IonicContact CZ-OE2 2.74Å; R404-E533 IonicContact NE-OE1 3.31Å; R404-E533 IonicContact NE-OE2 3.71Å; R404-E533 IonicContact NH2-OE1 2.74Å; R404-E533 PolarHBondContact NH2-OE1 3.24Å; R404-E533 VanDerWaalsContact NH2-OE1 3.08Å; R404-E533 IonicContact NH2-OE2 3.64Å; R404-E533 PolarHBondContact NH2-OE2 3.1Å; V531-E533 PolarHBondContact O-N 3.5Å; V531-E533 VanDerWaalsContact O-N 3.12Å; E533-K542 PolarHBondContact N-O 3.29Å; E533-L551 HydrophobicContact CG-CD2 3.98Å
534	Y	95.9	Very high	95.2	Very high	116 Å²	116	43.3 Å²	43.3	46%	0.455	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	152.1	-177.2	-162.9	-100.1	0	0	0	112.4	F536 L541 K542	Y534-F536 AromaticContact CD1-CD1 3.52Å; Y534-F536 HydrophobicContact CD1-CD1 3.52Å; Y534-F536 HydrophobicContact CD1-CD2 4.2Å; Y534-F536 AromaticContact CD1-CE1 3.55Å; Y534-F536 HydrophobicContact CD1-CE1 3.55Å; Y534-F536 HydrophobicContact CD1-CE2 4.25Å; Y534-F536 AromaticContact CD1-CG 3.85Å; Y534-F536 HydrophobicContact CD1-CG 3.85Å; Y534-F536 AromaticContact CD1-CZ 3.94Å; Y534-F536 HydrophobicContact CD1-CZ 3.94Å; Y534-F536 AromaticContact CE1-CD1 3.5Å; Y534-F536 HydrophobicContact CE1-CD1 3.5Å; Y534-F536 VanDerWaalsContact CE1-CD1 3.5Å; Y534-F536 AromaticContact CE1-CE1 3.81Å; Y534-F536 HydrophobicContact CE1-CE1 3.81Å; Y534-F536 HydrophobicContact CE1-CG 4.07Å; Y534-L541 CarbonylContact O-C 3.46Å; Y534-L541 WeakPolarHBondContact O-CA 3.22Å; Y534-K542 PolarHBondContact N-O 2.82Å; Y534-K542 PolarHBondContact O-N 3.41Å
535	V	96.4	Very high	95.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111.4	174.9	179.5	0	0	0	0	108	V532 S537 L541 M583 T586 K587 L591	V532-V535 HydrophobicContact CG1-CG2 3.93Å; V535-S537 WeakPolarHBondContact CG1-O 3.45Å; V535-L541 HydrophobicContact CG2-CD2 4.2Å; V535-M583 HydrophobicContact CG1-CG 4.33Å; V535-T586 HydrophobicContact CG1-CG2 3.73Å; V535-T586 HydrophobicContact CG2-CG2 4.28Å; V535-K587 HydrophobicContact CB-CG 3.63Å; V535-K587 HydrophobicContact CG1-CG 3.87Å; V535-K587 HydrophobicContact CG2-CG 3.97Å; V535-K587 WeakPolarHBondContact O-CE 3.46Å; V535-L591 HydrophobicContact CG2-CB 4.48Å; V535-L591 HydrophobicContact CG2-CD1 4.28Å
536	F	92.7	Very high	95.5	Very high	86 Å²	86	35.4 Å²	35.4	38%	0.377	17%	0.169	S	C	.	.	S	Bend	trans	-83.1	-34.9	-179.6	-59.4	-80	0	0	0	112.4	Y534 R540 K542 T553	Y534-F536 AromaticContact CD1-CD1 3.52Å; Y534-F536 HydrophobicContact CD1-CD1 3.52Å; Y534-F536 HydrophobicContact CD1-CD2 4.2Å; Y534-F536 AromaticContact CD1-CE1 3.55Å; Y534-F536 HydrophobicContact CD1-CE1 3.55Å; Y534-F536 HydrophobicContact CD1-CE2 4.25Å; Y534-F536 AromaticContact CD1-CG 3.85Å; Y534-F536 HydrophobicContact CD1-CG 3.85Å; Y534-F536 AromaticContact CD1-CZ 3.94Å; Y534-F536 HydrophobicContact CD1-CZ 3.94Å; Y534-F536 AromaticContact CE1-CD1 3.5Å; Y534-F536 HydrophobicContact CE1-CD1 3.5Å; Y534-F536 VanDerWaalsContact CE1-CD1 3.5Å; Y534-F536 AromaticContact CE1-CE1 3.81Å; Y534-F536 HydrophobicContact CE1-CE1 3.81Å; Y534-F536 HydrophobicContact CE1-CG 4.07Å; F536-R540 HydrophobicContact CB-CB 4.19Å; F536-R540 HydrophobicContact CB-CG 4.28Å; F536-R540 WeakPolarHBondContact CB-O 3.42Å; F536-R540 HydrophobicContact CD2-CG 4Å; F536-R540 PolarHBondContact N-O 3.48Å; F536-K542 HydrophobicContact CE2-CB 3.72Å; F536-K542 HydrophobicContact CZ-CB 4.03Å; F536-K542 HydrophobicContact CZ-CD 4.43Å; F536-T553 HydrophobicContact CE2-CG2 4.07Å
537	S	92.9	Very high	95.5	Very high	23 Å²	23	40.4 Å²	40.4	16%	0.161	18%	0.182	C	C	.	.	S	Bend	trans	-156.9	-178.1	177	66.6	0	0	0	0	109.2	V535 S539 R540	V535-S537 WeakPolarHBondContact CG1-O 3.45Å; S537-S539 PolarHBondContact O-N 3.26Å; S537-S539 PolarHBondContact OG-N 3.5Å; S537-R540 PolarHBondContact N-O 2.96Å; S537-R540 WeakPolarHBondContact OG-CB 3.36Å; S537-R540 PolarHBondContact OG-N 3.11Å
538	G	91.8	Very high	95.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-56.5	-29.6	176	0	0	0	0	0	114.3	A582 T586 L623	G538-A582 WeakPolarHBondContact CA-O 3.41Å; G538-T586 WeakPolarHBondContact CA-OG1 3.24Å; G538-T586 PolarHBondContact O-OG1 3.2Å; G538-L623 WeakPolarHBondContact O-CD1 3.21Å
539	S	94.8	Very high	95.2	Very high	21 Å²	21	40.8 Å²	40.8	15%	0.147	19%	0.193	C	C	.	.	S	Bend	trans	-117	0.9	-177.9	62.8	0	0	0	0	115.8	S537 L555 L556 C561	S537-S539 PolarHBondContact O-N 3.26Å; S537-S539 PolarHBondContact OG-N 3.5Å; S539-L555 WeakPolarHBondContact O-CA 3.18Å; S539-L556 PolarHBondContact O-N 2.93Å; S539-C561 WeakPolarHBondContact OG-CB 3.43Å
540	R	95.6	Very high	95	Very high	82 Å²	82	35.7 Å²	35.7	31%	0.309	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.9	-177.1	-166.5	179.3	-178.3	-170	-0.7	111.9	F536 S537 T553 F554 L555 N607	F536-R540 HydrophobicContact CB-CB 4.19Å; F536-R540 HydrophobicContact CB-CG 4.28Å; F536-R540 WeakPolarHBondContact CB-O 3.42Å; F536-R540 HydrophobicContact CD2-CG 4Å; F536-R540 PolarHBondContact N-O 3.48Å; S537-R540 PolarHBondContact N-O 2.96Å; S537-R540 WeakPolarHBondContact OG-CB 3.36Å; S537-R540 PolarHBondContact OG-N 3.11Å; R540-T553 HydrophobicContact CG-CG2 4.09Å; R540-F554 WeakPolarHBondContact CA-O 3.14Å; R540-L555 HydrophobicContact CB-CD2 3.67Å; R540-L555 HydrophobicContact CG-CD2 3.67Å; R540-L555 HydrophobicContact CG-CG 4.34Å; R540-N607 PolarHBondContact NH2-ND2 3.47Å; R540-N607 PolarHBondContact NH2-OD1 3.23Å
541	L	97.1	Very high	94.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.5	-172.2	-53.6	93.6	0	0	0	111.6	V532 Y534 V535 L543 T553 F554 L556 T586 V590 L612 L619	V532-L541 HydrophobicContact CG1-CD2 3.82Å; V532-L541 HydrophobicContact CG2-CD2 4.29Å; Y534-L541 CarbonylContact O-C 3.46Å; Y534-L541 WeakPolarHBondContact O-CA 3.22Å; V535-L541 HydrophobicContact CG2-CD2 4.2Å; L541-L543 HydrophobicContact CB-CD2 4.02Å; L541-T553 WeakPolarHBondContact O-CA 3.44Å; L541-F554 PolarHBondContact N-O 3.38Å; L541-F554 PolarHBondContact O-N 2.91Å; L541-L556 HydrophobicContact CD1-CD2 4.13Å; L541-L556 HydrophobicContact CD1-CG 4.16Å; L541-T586 HydrophobicContact CD2-CG2 4.04Å; L541-V590 HydrophobicContact CD2-CG2 3.61Å; L541-L612 HydrophobicContact CD2-CD1 4.02Å; L541-L619 HydrophobicContact CD2-CD2 4.39Å
542	K	97.6	Very high	94.8	Very high	43 Å²	43	35.6 Å²	35.6	19%	0.187	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.4	163.9	-165.5	167.3	-176.7	167.1	0	108.4	D507 S509 E533 Y534 F536 I552	D507-K542 IonicContact OD1-NZ 3.47Å; D507-K542 IonicContact OD2-NZ 3.64Å; D507-K542 PolarHBondContact OD2-NZ 3.5Å; S509-K542 WeakPolarHBondContact OG-CE 3.42Å; E533-K542 PolarHBondContact N-O 3.29Å; Y534-K542 PolarHBondContact N-O 2.82Å; Y534-K542 PolarHBondContact O-N 3.41Å; F536-K542 HydrophobicContact CE2-CB 3.72Å; F536-K542 HydrophobicContact CZ-CB 4.03Å; F536-K542 HydrophobicContact CZ-CD 4.43Å; K542-I552 WeakPolarHBondContact CA-O 3.46Å
543	L	97.6	Very high	94.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.4	-176.3	-52.6	-178	0	0	0	110	A530 V531 V532 L541 M545 L551 I552 F554 V597 L612	A530-L543 HydrophobicContact CB-CB 4.22Å; A530-L543 HydrophobicContact CB-CD1 4.37Å; V531-L543 CarbonylContact O-C 3.47Å; V531-L543 WeakPolarHBondContact O-CA 3.37Å; V532-L543 HydrophobicContact CB-CD2 4.21Å; V532-L543 HydrophobicContact CG1-CD2 4.38Å; V532-L543 HydrophobicContact CG2-CD2 3.73Å; L541-L543 HydrophobicContact CB-CD2 4.02Å; L543-M545 HydrophobicContact CB-SD 4.46Å; L543-L551 CarbonylContact O-C 3.57Å; L543-L551 VanDerWaalsContact O-CA 3.28Å; L543-L551 WeakPolarHBondContact O-CA 3.28Å; L543-I552 HydrophobicContact CB-CG1 3.87Å; L543-I552 HydrophobicContact CD1-CD1 4.39Å; L543-I552 HydrophobicContact CD1-CG1 4.46Å; L543-I552 HydrophobicContact CG-CG1 4.49Å; L543-I552 PolarHBondContact N-O 3.29Å; L543-I552 PolarHBondContact O-N 2.88Å; L543-F554 HydrophobicContact CD1-CB 3.49Å; L543-F554 VanDerWaalsContact CD1-CB 3.49Å; L543-F554 HydrophobicContact CD1-CD1 4.2Å; L543-F554 HydrophobicContact CD1-CD2 3.91Å; L543-F554 HydrophobicContact CD1-CG 3.62Å; L543-F554 HydrophobicContact CG-CB 3.87Å; L543-V597 HydrophobicContact CD1-CB 4.4Å; L543-V597 HydrophobicContact CD1-CG1 3.61Å; L543-V597 HydrophobicContact CD1-CG2 4.24Å; L543-L612 HydrophobicContact CD2-CD1 4.34Å
544	Y	97.3	Very high	94.8	Very high	22 Å²	22	34.5 Å²	34.5	9%	0.086	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.1	164.5	173.2	-119.8	0	0	0	109	F401 V505 A530 V531 P546 L551	F401-Y544 HydrophobicContact CE2-CE1 4.34Å; F401-Y544 HydrophobicContact CZ-CE1 4.14Å; V505-Y544 HydrophobicContact CG1-CD2 4.03Å; V505-Y544 HydrophobicContact CG1-CE2 3.84Å; V505-Y544 HydrophobicContact CG2-CE2 3.97Å; A530-Y544 CarbonylContact C-O 3.57Å; A530-Y544 VanDerWaalsContact CA-O 3.26Å; A530-Y544 WeakPolarHBondContact CA-O 3.45Å; V531-Y544 PolarHBondContact N-O 3.36Å; V531-Y544 PolarHBondContact O-N 3.09Å; Y544-P546 HydrophobicContact CD1-CG 4.12Å; Y544-P546 HydrophobicContact CE1-CB 4.11Å; Y544-P546 HydrophobicContact CE1-CG 3.99Å; Y544-P546 WeakPolarHBondContact O-CD 3.26Å; Y544-L551 HydrophobicContact CD2-CD2 4.21Å; Y544-L551 HydrophobicContact CG-CD2 4.45Å
545	M	95.5	Very high	94.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	103.7	177.9	-54.7	-60.2	-64.5	0	0	108.3	L522 S528 A530 L543 K547 E548 T549 C550 I552 V597	L522-M545 HydrophobicContact CD2-CE 4.39Å; S528-M545 VanDerWaalsContact CB-CE 3.41Å; A530-M545 HydrophobicContact CB-CE 4.39Å; A530-M545 HydrophobicContact CB-SD 3.57Å; A530-M545 VanDerWaalsContact CB-SD 3.57Å; L543-M545 HydrophobicContact CB-SD 4.46Å; M545-K547 PolarHBondContact O-N 3.05Å; M545-E548 HydrophobicContact CB-CB 4.29Å; M545-E548 WeakPolarHBondContact CB-OE2 3.34Å; M545-T549 WeakPolarHBondContact O-CA 3.31Å; M545-T549 PolarHBondContact O-N 2.92Å; M545-C550 PolarHBondContact N-O 2.93Å; M545-C550 PolarHBondContact O-N 2.9Å; M545-I552 HydrophobicContact CG-CD1 4.1Å; M545-I552 HydrophobicContact CG-CG1 4.19Å; M545-I552 HydrophobicContact CG-CG2 4.19Å; M545-I552 HydrophobicContact SD-CD1 3.82Å; M545-I552 HydrophobicContact SD-CG1 4.26Å; M545-V597 HydrophobicContact CE-CG2 3.96Å; M545-V597 HydrophobicContact SD-CG2 4.13Å
546	P	93.7	Very high	94.8	Very high	52 Å²	52	31.2 Å²	31.2	34%	0.338	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-36.1	-172.6	-23.4	35.7	0	0	0	113.4	E529 Y544 T549	E529-P546 VanDerWaalsContact O-CD 3.26Å; E529-P546 WeakPolarHBondContact O-CD 3.5Å; Y544-P546 HydrophobicContact CD1-CG 4.12Å; Y544-P546 HydrophobicContact CE1-CB 4.11Å; Y544-P546 HydrophobicContact CE1-CG 3.99Å; Y544-P546 WeakPolarHBondContact O-CD 3.26Å; P546-T549 WeakPolarHBondContact O-CG2 3.21Å; P546-T549 PolarHBondContact O-N 3.21Å
547	K	92	Very high	94.8	Very high	137 Å²	137	27.3 Å²	27.3	60%	0.596	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-42.8	-178.9	-69.1	179.5	-177.1	174.6	0	111.7	M545	M545-K547 PolarHBondContact O-N 3.05Å
548	E	89.6	Confident	94.4	Very high	64 Å²	64	26.3 Å²	26.3	30%	0.299	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.6	179.8	-63.3	67.5	-143.9	0	0	112.6	M545 C550	M545-E548 HydrophobicContact CB-CB 4.29Å; M545-E548 WeakPolarHBondContact CB-OE2 3.34Å; E548-C550 VanDerWaalsContact C-N 3.26Å; E548-C550 PolarHBondContact O-N 2.86Å
549	T	92	Very high	94.4	Very high	68 Å²	68	27 Å²	27	42%	0.417	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	42.8	-176	59	0	0	0	0	113.1	V505 A506 M545 P546	V505-T549 WeakPolarHBondContact CA-O 3.24Å; A506-T549 PolarHBondContact N-O 2.95Å; M545-T549 WeakPolarHBondContact O-CA 3.31Å; M545-T549 PolarHBondContact O-N 2.92Å; P546-T549 WeakPolarHBondContact O-CG2 3.21Å; P546-T549 PolarHBondContact O-N 3.21Å
550	C	92.9	Very high	94.1	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.9	-176.1	75.2	0	0	0	0	113.7	A506 M545 E548	A506-C550 HydrophobicContact CB-CB 4.09Å; A506-C550 CarbonylContact O-C 3.51Å; A506-C550 WeakPolarHBondContact O-CA 3.4Å; M545-C550 PolarHBondContact N-O 2.93Å; M545-C550 PolarHBondContact O-N 2.9Å; E548-C550 VanDerWaalsContact C-N 3.26Å; E548-C550 PolarHBondContact O-N 2.86Å
551	L	95.5	Very high	93.8	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.031	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.1	171.8	-68.4	162.2	0	0	0	109.6	Y395 V505 A506 D507 I508 S509 E533 L543 Y544	Y395-L551 HydrophobicContact CE2-CD1 4.05Å; V505-L551 HydrophobicContact CG1-CD1 4.04Å; V505-L551 HydrophobicContact CG1-CG 3.89Å; A506-L551 PolarHBondContact O-N 3.36Å; D507-L551 HydrophobicContact CB-CB 4.44Å; D507-L551 HydrophobicContact CB-CD1 4.38Å; I508-L551 WeakPolarHBondContact CG1-O 3.4Å; I508-L551 PolarHBondContact N-O 3.17Å; S509-L551 PolarHBondContact N-O 2.78Å; E533-L551 HydrophobicContact CG-CD2 3.98Å; L543-L551 CarbonylContact O-C 3.57Å; L543-L551 VanDerWaalsContact O-CA 3.28Å; L543-L551 WeakPolarHBondContact O-CA 3.28Å; Y544-L551 HydrophobicContact CD2-CD2 4.21Å; Y544-L551 HydrophobicContact CG-CD2 4.45Å
552	I	95.7	Very high	93.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.2	178.7	71.2	171.2	0	0	0	110.9	I508 S509 K542 L543 M545 F554 F608	I508-I552 HydrophobicContact CD1-CG2 3.71Å; I508-I552 HydrophobicContact CG1-CG2 3.71Å; S509-I552 VanDerWaalsContact OG-C 3.26Å; K542-I552 WeakPolarHBondContact CA-O 3.46Å; L543-I552 HydrophobicContact CB-CG1 3.87Å; L543-I552 HydrophobicContact CD1-CD1 4.39Å; L543-I552 HydrophobicContact CD1-CG1 4.46Å; L543-I552 HydrophobicContact CG-CG1 4.49Å; L543-I552 PolarHBondContact N-O 3.29Å; L543-I552 PolarHBondContact O-N 2.88Å; M545-I552 HydrophobicContact CG-CD1 4.1Å; M545-I552 HydrophobicContact CG-CG1 4.19Å; M545-I552 HydrophobicContact CG-CG2 4.19Å; M545-I552 HydrophobicContact SD-CD1 3.82Å; M545-I552 HydrophobicContact SD-CG1 4.26Å; I552-F554 HydrophobicContact CD1-CD2 4.37Å; I552-F608 HydrophobicContact CB-CD2 3.82Å; I552-F608 HydrophobicContact CB-CE2 3.97Å; I552-F608 HydrophobicContact CD1-CD2 4.06Å; I552-F608 HydrophobicContact CG1-CD2 4.44Å; I552-F608 HydrophobicContact CG2-CD2 4.22Å; I552-F608 HydrophobicContact CG2-CE2 3.9Å
553	T	96.6	Very high	92.6	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.025	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.4	165.4	-45.5	0	0	0	0	108.9	S509 F536 R540 L541 N607 F608	S509-T553 VanDerWaalsContact CA-OG1 3.32Å; S509-T553 WeakPolarHBondContact CA-OG1 3.42Å; S509-T553 WeakPolarHBondContact CB-OG1 3.24Å; S509-T553 PolarHBondContact OG-N 3.41Å; S509-T553 PolarHBondContact OG-OG1 3.4Å; F536-T553 HydrophobicContact CE2-CG2 4.07Å; R540-T553 HydrophobicContact CG-CG2 4.09Å; L541-T553 WeakPolarHBondContact O-CA 3.44Å; T553-N607 WeakPolarHBondContact CB-OD1 3.42Å; T553-N607 HydrophobicContact CG2-CB 4.38Å; T553-N607 WeakPolarHBondContact CG2-OD1 3.49Å; T553-N607 WeakPolarHBondContact O-CA 3.43Å; T553-F608 PolarHBondContact O-N 3.4Å
554	F	97.1	Very high	91.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.8	-173.3	-166.1	-94.8	0	0	0	110.9	R540 L541 L543 I552 L556 V597 V599 F608 G610 L612	R540-F554 WeakPolarHBondContact CA-O 3.14Å; L541-F554 PolarHBondContact N-O 3.38Å; L541-F554 PolarHBondContact O-N 2.91Å; L543-F554 HydrophobicContact CD1-CB 3.49Å; L543-F554 VanDerWaalsContact CD1-CB 3.49Å; L543-F554 HydrophobicContact CD1-CD1 4.2Å; L543-F554 HydrophobicContact CD1-CD2 3.91Å; L543-F554 HydrophobicContact CD1-CG 3.62Å; L543-F554 HydrophobicContact CG-CB 3.87Å; I552-F554 HydrophobicContact CD1-CD2 4.37Å; F554-L556 HydrophobicContact CD1-CD2 4.3Å; F554-L556 HydrophobicContact CE1-CD2 4.03Å; F554-V597 HydrophobicContact CE1-CG1 4.35Å; F554-V597 HydrophobicContact CE2-CB 3.94Å; F554-V597 HydrophobicContact CE2-CG1 4.32Å; F554-V597 HydrophobicContact CZ-CB 3.96Å; F554-V597 HydrophobicContact CZ-CG1 4.1Å; F554-V599 HydrophobicContact CE2-CG2 3.99Å; F554-F608 CarbonylContact C-O 3.09Å; F554-F608 WeakPolarHBondContact CA-O 3.33Å; F554-F608 HydrophobicContact CD2-CB 4.18Å; F554-G610 WeakPolarHBondContact CE1-O 3.01Å; F554-G610 VanDerWaalsContact CZ-CA 3.48Å; F554-L612 HydrophobicContact CE1-CB 4.09Å
555	L	96.4	Very high	90.7	Very high	37 Å²	37	37.2 Å²	37.2	19%	0.194	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.9	175.1	-78.7	171.1	0	0	0	109.3	S539 R540 A557 N607 F608 I609 G610	S539-L555 WeakPolarHBondContact O-CA 3.18Å; R540-L555 HydrophobicContact CB-CD2 3.67Å; R540-L555 HydrophobicContact CG-CD2 3.67Å; R540-L555 HydrophobicContact CG-CG 4.34Å; L555-A557 PolarHBondContact O-N 3.46Å; L555-N607 HydrophobicContact CD1-CB 3.73Å; L555-N607 HydrophobicContact CG-CB 4.03Å; L555-F608 PolarHBondContact N-O 3.27Å; L555-I609 HydrophobicContact CB-CG1 4.14Å; L555-I609 HydrophobicContact CD1-CG1 4.42Å; L555-I609 WeakPolarHBondContact O-CA 3.23Å; L555-G610 PolarHBondContact O-N 2.74Å
556	L	96.3	Very high	89.4	Confident	10 Å²	10	44.9 Å²	44.9	5%	0.052	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.7	176.9	-61.2	-177.1	0	0	0	111.2	S539 L541 F554 I559 G610 L612 L619 L623	S539-L556 PolarHBondContact O-N 2.93Å; L541-L556 HydrophobicContact CD1-CD2 4.13Å; L541-L556 HydrophobicContact CD1-CG 4.16Å; F554-L556 HydrophobicContact CD1-CD2 4.3Å; F554-L556 HydrophobicContact CE1-CD2 4.03Å; L556-I559 HydrophobicContact CB-CD1 4.03Å; L556-I559 HydrophobicContact CB-CG1 4.17Å; L556-I559 HydrophobicContact CD1-CD1 4.12Å; L556-G610 CarbonylContact C-O 3.54Å; L556-G610 WeakPolarHBondContact CA-O 3.24Å; L556-L612 HydrophobicContact CD2-CB 3.81Å; L556-L619 HydrophobicContact CD1-CB 4.35Å; L556-L619 HydrophobicContact CD1-CD2 3.71Å; L556-L619 HydrophobicContact CD1-CG 3.69Å; L556-L619 HydrophobicContact CD2-CB 4.46Å; L556-L619 HydrophobicContact CD2-CD2 4.03Å; L556-L619 HydrophobicContact CD2-CG 4.44Å; L556-L619 HydrophobicContact CG-CD2 4.45Å; L556-L623 HydrophobicContact CD1-CD1 3.48Å; L556-L623 VanDerWaalsContact CD1-CD1 3.48Å
557	A	92.5	Very high	87.4	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.033	24%	0.238	C	C	.	.	S	Bend	trans	-78.6	155.9	177.1	0	0	0	0	0	111.9	L555 I559 I609 G610 W611 S620	L555-A557 PolarHBondContact O-N 3.46Å; A557-I559 VanDerWaalsContact C-N 3.28Å; A557-I559 PolarHBondContact O-N 3.48Å; A557-I609 HydrophobicContact CB-CG2 3.96Å; A557-G610 WeakPolarHBondContact CB-O 3.4Å; A557-G610 PolarHBondContact N-O 2.68Å; A557-W611 HydrophobicContact CB-CD2 4Å; A557-W611 HydrophobicContact CB-CE3 4.29Å; A557-W611 HydrophobicContact CB-CH2 4.14Å; A557-W611 HydrophobicContact CB-CZ2 3.77Å; A557-W611 HydrophobicContact CB-CZ3 4.37Å; A557-W611 VanDerWaalsContact O-CZ3 3.26Å; A557-W611 WeakPolarHBondContact O-CZ3 3.36Å; A557-S620 PolarHBondContact O-OG 3.37Å
558	G	85.6	Confident	85.5	Confident	2 Å²	2	44.9 Å²	44.9	2%	0.021	23%	0.225	C	C	.	.	S	Bend	trans	74.7	4.7	169.1	0	0	0	0	0	116.7	H632	G558-H632 PolarHBondContact O-N 3.1Å
559	I	91.4	Very high	83.2	Confident	16 Å²	16	45.5 Å²	45.5	8%	0.082	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.3	-177	60.1	162.3	0	0	0	113.4	L556 A557 L623 V624 K630 L644	L556-I559 HydrophobicContact CB-CD1 4.03Å; L556-I559 HydrophobicContact CB-CG1 4.17Å; L556-I559 HydrophobicContact CD1-CD1 4.12Å; A557-I559 VanDerWaalsContact C-N 3.28Å; A557-I559 PolarHBondContact O-N 3.48Å; I559-L623 HydrophobicContact CD1-CB 4.34Å; I559-L623 HydrophobicContact CD1-CD1 3.73Å; I559-V624 HydrophobicContact CG2-CG2 3.62Å; I559-K630 CarbonylContact C-O 3.56Å; I559-K630 WeakPolarHBondContact CA-O 3.29Å; I559-K630 WeakPolarHBondContact CB-O 3.4Å; I559-L644 HydrophobicContact CG2-CD2 3.85Å
560	E	87.3	Confident	81.1	Confident	105 Å²	105	45.8 Å²	45.8	49%	0.491	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.5	163.3	-79.5	-176	159.2	0	0	109.5	S629 K630 H632	E560-S629 WeakPolarHBondContact O-CA 3.34Å; E560-K630 PolarHBondContact N-O 3.29Å; E560-K630 PolarHBondContact O-N 3.15Å; E560-H632 HydrophobicContact CG-CB 4.17Å; E560-H632 IonicContact OE1-CD2 3.25Å; E560-H632 PolarHBondContact OE1-CD2 2.93Å; E560-H632 IonicContact OE1-NE2 3.85Å
561	C	89.6	Confident	79	Confident	15 Å²	15	47.7 Å²	47.7	10%	0.101	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-97	139.8	178	-176.6	0	0	0	0	110.3	S539 R563 S629	S539-C561 WeakPolarHBondContact OG-CB 3.43Å; C561-R563 PolarHBondContact O-N 3.33Å; C561-S629 WeakPolarHBondContact CA-OG 3.41Å; C561-S629 WeakPolarHBondContact CB-OG 3.37Å
562	P	87.4	Confident	77	Confident	14 Å²	14	53.3 Å²	53.3	9%	0.091	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-56.2	134.3	178.9	-23.9	32.4	0	0	0	112.4	E576 P577 S579 L628 I658	P562-E576 WeakPolarHBondContact CA-OE2 3.27Å; P562-E576 HydrophobicContact CB-CB 3.93Å; P562-P577 WeakPolarHBondContact CB-O 3.43Å; P562-S579 WeakPolarHBondContact O-CB 3.36Å; P562-L628 WeakPolarHBondContact CD-O 3.48Å; P562-I658 HydrophobicContact CG-CG2 4.17Å
563	R	82.9	Confident	75.4	Confident	153 Å²	153	57.7 Å²	57.7	58%	0.577	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-83.8	128.1	-175.9	-59.9	178.4	-169.9	177.2	7.8	111	C561 E576 S579	C561-R563 PolarHBondContact O-N 3.33Å; R563-E576 HydrophobicContact CB-CG 4.38Å; R563-E576 PolarHBondContact N-OE2 3.49Å; R563-E576 PolarHBondContact O-N 3.26Å; R563-S579 WeakPolarHBondContact O-CB 3.42Å
564	S	79	Confident	74.2	Confident	33 Å²	33	65.3 Å²	65.3	23%	0.231	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-65.3	161.1	169.2	-54.8	0	0	0	0	111	R566	S564-R566 PolarHBondContact O-N 3.25Å
565	S	74.9	Confident	73.3	Confident	61 Å²	61	67.3 Å²	67.3	43%	0.427	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-56.5	138.6	178	57.1	0	0	0	0	111.2	Q573	S565-Q573 VanDerWaalsContact CA-O 3.27Å; S565-Q573 WeakPolarHBondContact CA-O 3.42Å
566	R	68.5	Low	72.7	Confident	161 Å²	161	69.4 Å²	69.4	61%	0.608	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135	125.2	-179.6	-165.5	174.9	-176.8	178	-0.3	109.3	S564 T568 Q573	S564-R566 PolarHBondContact O-N 3.25Å; R566-T568 HydrophobicContact CB-CG2 4.4Å; R566-T568 HydrophobicContact CG-CG2 4.27Å; R566-T568 PolarHBondContact O-N 2.88Å; R566-Q573 PolarHBondContact N-O 3.22Å; R566-Q573 VanDerWaalsContact N-O 3.13Å; R566-Q573 PolarHBondContact O-N 2.89Å
567	N	53.2	Low	72	Confident	136 Å²	136	73.4 Å²	73.4	73%	0.727	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	107.1	164.6	-96.6	6.9	0	0	0	108
568	T	50.3	Low	71.8	Confident	53 Å²	53	76.9 Å²	76.9	33%	0.325	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	155.1	170	65.1	0	0	0	0	108.8	R566 G570 G571 Q573	R566-T568 HydrophobicContact CB-CG2 4.4Å; R566-T568 HydrophobicContact CG-CG2 4.27Å; R566-T568 PolarHBondContact O-N 2.88Å; T568-G570 PolarHBondContact O-N 3.37Å; T568-G571 PolarHBondContact N-O 2.84Å; T568-G571 CarbonylContact O-C 3.56Å; T568-G571 PolarHBondContact O-N 3.44Å; T568-G571 PolarHBondContact OG1-O 3.41Å; T568-Q573 HydrophobicContact CG2-CB 4.35Å
569	P	42.4	Very low	71.9	Confident	77 Å²	77	76.9 Å²	76.9	50%	0.5	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-14.5	179	-24.8	34.7	0	0	0	114.9	R788	P569-R788 HydrophobicContact CG-CG 4.3Å
570	G	47.9	Very low	71.8	Confident	75 Å²	75	81 Å²	81	77%	0.773	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	17.7	174.3	0	0	0	0	0	114.7	T568	T568-G570 PolarHBondContact O-N 3.37Å
571	G	48.8	Very low	72	Confident	40 Å²	40	79.7 Å²	79.7	41%	0.412	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	116.9	175.8	-178.9	0	0	0	0	0	114	T568 Q573	T568-G571 PolarHBondContact N-O 2.84Å; T568-G571 CarbonylContact O-C 3.56Å; T568-G571 PolarHBondContact O-N 3.44Å; T568-G571 PolarHBondContact OG1-O 3.41Å; G571-Q573 PolarHBondContact O-N 3.44Å
572	M	52.6	Low	72.1	Confident	124 Å²	124	79 Å²	79	61%	0.611	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	108.1	176.9	-171.4	165.3	179.8	0	0	108.9	M574	M572-M574 PolarHBondContact O-N 3.1Å; M572-M574 VanDerWaalsContact O-N 3.13Å
573	Q	63	Low	72.4	Confident	91 Å²	91	80.2 Å²	80.2	43%	0.425	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	114.2	168.3	-169.8	166.4	24.1	0	0	107	S565 R566 T568 G571	S565-Q573 VanDerWaalsContact CA-O 3.27Å; S565-Q573 WeakPolarHBondContact CA-O 3.42Å; R566-Q573 PolarHBondContact N-O 3.22Å; R566-Q573 VanDerWaalsContact N-O 3.13Å; R566-Q573 PolarHBondContact O-N 2.89Å; T568-Q573 HydrophobicContact CG2-CB 4.35Å; G571-Q573 PolarHBondContact O-N 3.44Å
574	M	70.7	Confident	72.9	Confident	164 Å²	164	76.2 Å²	76.2	81%	0.808	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-61.4	144.5	-179.9	-69.4	-165.8	74.4	0	0	110.1	M572 E576	M572-M574 PolarHBondContact O-N 3.1Å; M572-M574 VanDerWaalsContact O-N 3.13Å; M574-E576 PolarHBondContact O-N 3.18Å
575	A	79.1	Confident	73.7	Confident	43 Å²	43	76.9 Å²	76.9	36%	0.355	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-60.2	132.3	176.4	0	0	0	0	0	109.6
576	E	82.4	Confident	74.8	Confident	80 Å²	80	74 Å²	74	37%	0.374	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-65	146.2	170.2	-69.6	172.7	177.7	0	0	109	P562 R563 M574 F578 S579	P562-E576 WeakPolarHBondContact CA-OE2 3.27Å; P562-E576 HydrophobicContact CB-CB 3.93Å; R563-E576 HydrophobicContact CB-CG 4.38Å; R563-E576 PolarHBondContact N-OE2 3.49Å; R563-E576 PolarHBondContact O-N 3.26Å; M574-E576 PolarHBondContact O-N 3.18Å; E576-F578 PolarHBondContact O-N 3.03Å; E576-S579 VanDerWaalsContact O-CB 3.31Å; E576-S579 WeakPolarHBondContact O-CB 3.35Å; E576-S579 PolarHBondContact O-N 2.82Å; E576-S579 PolarHBondContact O-OG 3.4Å
577	P	83.4	Confident	76	Confident	95 Å²	95	69.3 Å²	69.3	62%	0.617	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	138.1	178.6	-28.7	35.3	0	0	0	112.1	P562 S579	P562-P577 WeakPolarHBondContact CB-O 3.43Å; P577-S579 PolarHBondContact O-N 3.21Å
578	F	87.6	Confident	78	Confident	76 Å²	76	65 Å²	65	33%	0.333	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	9.5	178.6	-49.7	-82.2	0	0	0	116.3	E576 D580 E581 A582 L628 K657 I658	E576-F578 PolarHBondContact O-N 3.03Å; F578-D580 PolarHBondContact O-N 2.78Å; F578-E581 WeakPolarHBondContact CD1-OE2 3.33Å; F578-E581 PolarHBondContact O-N 3.16Å; F578-A582 WeakPolarHBondContact O-CB 3.36Å; F578-A582 PolarHBondContact O-N 2.96Å; F578-L628 HydrophobicContact CB-CD2 4.24Å; F578-K657 HydrophobicContact CD1-CB 4Å; F578-K657 HydrophobicContact CD1-CG 4.37Å; F578-K657 HydrophobicContact CD2-CB 4.37Å; F578-K657 HydrophobicContact CE1-CB 3.88Å; F578-K657 HydrophobicContact CE1-CG 4.19Å; F578-K657 HydrophobicContact CE2-CB 4.27Å; F578-K657 VanDerWaalsContact CE2-O 3.24Å; F578-K657 WeakPolarHBondContact CE2-O 3.33Å; F578-K657 HydrophobicContact CG-CB 4.24Å; F578-K657 HydrophobicContact CZ-CB 4.03Å; F578-I658 HydrophobicContact CB-CG2 4.11Å; F578-I658 HydrophobicContact CD2-CG2 3.77Å; F578-I658 HydrophobicContact CG-CG2 4.23Å
579	S	87.2	Confident	80.1	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-61.5	-40.9	176.9	54.5	0	0	0	0	114.2	P562 R563 E576 P577 A582 M583	P562-S579 WeakPolarHBondContact O-CB 3.36Å; R563-S579 WeakPolarHBondContact O-CB 3.42Å; E576-S579 VanDerWaalsContact O-CB 3.31Å; E576-S579 WeakPolarHBondContact O-CB 3.35Å; E576-S579 PolarHBondContact O-N 2.82Å; E576-S579 PolarHBondContact O-OG 3.4Å; P577-S579 PolarHBondContact O-N 3.21Å; S579-A582 PolarHBondContact O-N 3.41Å; S579-M583 PolarHBondContact O-N 3.1Å
580	D	88.9	Confident	82.8	Confident	101 Å²	101	60.9 Å²	60.9	54%	0.54	34%	0.339	S	S	.	.	H	α-helix	trans	-68.2	-36.6	175.4	-72.1	-27	0	0	0	112.1	F578 M583 L584	F578-D580 PolarHBondContact O-N 2.78Å; D580-M583 PolarHBondContact O-N 2.99Å; D580-L584 VanDerWaalsContact O-CB 3.3Å; D580-L584 WeakPolarHBondContact O-CB 3.44Å; D580-L584 PolarHBondContact O-N 3.35Å
581	E	91.6	Very high	85.1	Confident	78 Å²	78	58 Å²	58	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-67.2	-40.1	175.7	-163.5	-176.3	152.8	0	0	111.2	F578 L584 F585 L628 K657	F578-E581 WeakPolarHBondContact CD1-OE2 3.33Å; F578-E581 PolarHBondContact O-N 3.16Å; E581-L584 PolarHBondContact O-N 2.81Å; E581-F585 VanDerWaalsContact O-CB 3.3Å; E581-F585 WeakPolarHBondContact O-CB 3.21Å; E581-F585 PolarHBondContact O-N 2.84Å; E581-L628 HydrophobicContact CB-CD2 3.97Å; E581-L628 HydrophobicContact CG-CD2 3.92Å; E581-K657 WeakPolarHBondContact OE1-CD 3.18Å; E581-K657 WeakPolarHBondContact OE1-CE 3.43Å; E581-K657 IonicContact OE1-NZ 3.5Å; E581-K657 PolarHBondContact OE1-NZ 2.73Å
582	A	92.4	Very high	87.5	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-42.6	174.3	0	0	0	0	0	112.2	G538 F578 S579 T586 L623 L628	G538-A582 WeakPolarHBondContact CA-O 3.41Å; F578-A582 WeakPolarHBondContact O-CB 3.36Å; F578-A582 PolarHBondContact O-N 2.96Å; S579-A582 PolarHBondContact O-N 3.41Å; A582-T586 WeakPolarHBondContact O-CB 3.27Å; A582-T586 PolarHBondContact O-N 3.25Å; A582-T586 VanDerWaalsContact O-N 3.09Å; A582-T586 PolarHBondContact O-OG1 3.5Å; A582-L623 HydrophobicContact CB-CD2 4.48Å; A582-L628 HydrophobicContact CB-CB 4.06Å; A582-L628 HydrophobicContact CB-CD2 4.44Å
583	M	94.1	Very high	89.6	Confident	40 Å²	40	52.3 Å²	52.3	20%	0.197	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-44.8	173.6	-178.9	-176.3	54.6	0	0	111.2	V535 S579 D580 T586 K587	V535-M583 HydrophobicContact CG1-CG 4.33Å; S579-M583 PolarHBondContact O-N 3.1Å; D580-M583 PolarHBondContact O-N 2.99Å; M583-T586 PolarHBondContact O-N 3.07Å; M583-K587 HydrophobicContact CG-CD 4.29Å; M583-K587 WeakPolarHBondContact O-CG 3.38Å; M583-K587 PolarHBondContact O-N 3.39Å
584	L	93.3	Very high	91.2	Very high	69 Å²	69	53.2 Å²	53.2	36%	0.361	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-48	179.9	-170.6	65.9	0	0	0	110.8	Y365 D580 E581 T586 K587 E588	Y365-L584 HydrophobicContact CE2-CD1 4.19Å; Y365-L584 WeakPolarHBondContact OH-CD1 3.48Å; D580-L584 VanDerWaalsContact O-CB 3.3Å; D580-L584 WeakPolarHBondContact O-CB 3.44Å; D580-L584 PolarHBondContact O-N 3.35Å; E581-L584 PolarHBondContact O-N 2.81Å; L584-T586 VanDerWaalsContact C-N 3.29Å; L584-T586 PolarHBondContact O-N 2.87Å; L584-K587 WeakPolarHBondContact O-CB 3.38Å; L584-K587 PolarHBondContact O-N 2.91Å; L584-K587 VanDerWaalsContact O-N 3.12Å; L584-E588 HydrophobicContact CG-CG 4.37Å; L584-E588 WeakPolarHBondContact O-CG 3.45Å; L584-E588 PolarHBondContact O-N 3.1Å
585	F	95.6	Very high	92.5	Very high	47 Å²	47	45.7 Å²	45.7	21%	0.206	23%	0.233	C	C	.	.	H	α-helix	trans	-52.5	-48.2	175	177	-94.9	0	0	0	111.6	E581 E588 L589 L619 A622 L623 N626 L628	E581-F585 VanDerWaalsContact O-CB 3.3Å; E581-F585 WeakPolarHBondContact O-CB 3.21Å; E581-F585 PolarHBondContact O-N 2.84Å; F585-E588 PolarHBondContact O-N 3.17Å; F585-L589 HydrophobicContact CE1-CD2 3.88Å; F585-L589 HydrophobicContact CZ-CD2 3.95Å; F585-L589 VanDerWaalsContact O-CB 3.29Å; F585-L589 WeakPolarHBondContact O-CB 3.3Å; F585-L589 PolarHBondContact O-N 3.12Å; F585-L619 HydrophobicContact CE1-CD1 4.46Å; F585-A622 HydrophobicContact CE1-CB 4.17Å; F585-A622 HydrophobicContact CZ-CB 4.13Å; F585-L623 HydrophobicContact CD1-CD2 3.63Å; F585-L623 HydrophobicContact CD1-CG 4.27Å; F585-L623 HydrophobicContact CE1-CD2 4.1Å; F585-L623 HydrophobicContact CE1-CG 4.28Å; F585-N626 HydrophobicContact CE2-CB 4.16Å; F585-N626 HydrophobicContact CZ-CB 4.32Å; F585-N626 WeakPolarHBondContact CZ-ND2 3.32Å; F585-L628 HydrophobicContact CB-CD1 3.53Å; F585-L628 HydrophobicContact CD1-CD1 4.14Å; F585-L628 HydrophobicContact CD2-CD1 4Å; F585-L628 HydrophobicContact CG-CD1 3.63Å
586	T	96.8	Very high	93.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.9	-43.9	178.2	-58.1	0	0	0	0	111.8	V535 G538 L541 A582 M583 L584 E588 L589 V590 L619	V535-T586 HydrophobicContact CG1-CG2 3.73Å; V535-T586 HydrophobicContact CG2-CG2 4.28Å; G538-T586 WeakPolarHBondContact CA-OG1 3.24Å; G538-T586 PolarHBondContact O-OG1 3.2Å; L541-T586 HydrophobicContact CD2-CG2 4.04Å; A582-T586 WeakPolarHBondContact O-CB 3.27Å; A582-T586 PolarHBondContact O-N 3.25Å; A582-T586 VanDerWaalsContact O-N 3.09Å; A582-T586 PolarHBondContact O-OG1 3.5Å; M583-T586 PolarHBondContact O-N 3.07Å; L584-T586 VanDerWaalsContact C-N 3.29Å; L584-T586 PolarHBondContact O-N 2.87Å; T586-E588 PolarHBondContact O-N 3.14Å; T586-L589 PolarHBondContact O-N 2.91Å; T586-V590 HydrophobicContact CG2-CG2 3.81Å; T586-V590 WeakPolarHBondContact O-CG2 3.49Å; T586-V590 PolarHBondContact O-N 3.04Å; T586-L619 HydrophobicContact CG2-CD2 4.02Å
587	K	95.3	Very high	94.1	Very high	64 Å²	64	43.7 Å²	43.7	28%	0.278	22%	0.216	S	C	.	.	H	α-helix	trans	-59	-47.5	174.1	-78.9	178.7	178	173.8	0	111.5	V535 M583 L584 L589 L591	V535-K587 HydrophobicContact CB-CG 3.63Å; V535-K587 HydrophobicContact CG1-CG 3.87Å; V535-K587 HydrophobicContact CG2-CG 3.97Å; V535-K587 WeakPolarHBondContact O-CE 3.46Å; M583-K587 HydrophobicContact CG-CD 4.29Å; M583-K587 WeakPolarHBondContact O-CG 3.38Å; M583-K587 PolarHBondContact O-N 3.39Å; L584-K587 WeakPolarHBondContact O-CB 3.38Å; L584-K587 PolarHBondContact O-N 2.91Å; L584-K587 VanDerWaalsContact O-N 3.12Å; K587-L589 PolarHBondContact O-N 3.16Å; K587-L591 HydrophobicContact CG-CD2 4.48Å; K587-L591 WeakPolarHBondContact O-CB 3.42Å; K587-L591 PolarHBondContact O-N 2.88Å; K587-L591 VanDerWaalsContact O-N 3.17Å
588	E	94.1	Very high	94.7	Very high	45 Å²	45	41 Å²	41	21%	0.21	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-29.3	-179.4	-66	-160.3	-163.8	0	0	112.9	M348 K359 Y365 L584 F585 T586 R593	M348-E588 HydrophobicContact CE-CB 3.78Å; M348-E588 HydrophobicContact CE-CG 3.55Å; K359-E588 IonicContact NZ-OE1 3.39Å; K359-E588 PolarHBondContact NZ-OE1 3.18Å; K359-E588 IonicContact NZ-OE2 3.81Å; K359-E588 PolarHBondContact NZ-OE2 3.14Å; Y365-E588 VanDerWaalsContact OH-CD 3.24Å; Y365-E588 WeakPolarHBondContact OH-CG 3.47Å; Y365-E588 PolarHBondContact OH-OE1 3.44Å; L584-E588 HydrophobicContact CG-CG 4.37Å; L584-E588 WeakPolarHBondContact O-CG 3.45Å; L584-E588 PolarHBondContact O-N 3.1Å; F585-E588 PolarHBondContact O-N 3.17Å; T586-E588 PolarHBondContact O-N 3.14Å; E588-R593 VanDerWaalsContact O-CZ 3.27Å; E588-R593 PolarHBondContact O-NH1 3.17Å; E588-R593 PolarHBondContact O-NH2 2.74Å
589	L	95.4	Very high	95.1	Very high	43 Å²	43	37.9 Å²	37.9	23%	0.225	18%	0.182	C	C	.	.	H	α-helix	trans	-92.8	-31	-175.3	-171.6	59.2	0	0	0	114.3	F585 T586 K587 R593 I614 L619 A622	F585-L589 HydrophobicContact CE1-CD2 3.88Å; F585-L589 HydrophobicContact CZ-CD2 3.95Å; F585-L589 VanDerWaalsContact O-CB 3.29Å; F585-L589 WeakPolarHBondContact O-CB 3.3Å; F585-L589 PolarHBondContact O-N 3.12Å; T586-L589 PolarHBondContact O-N 2.91Å; K587-L589 PolarHBondContact O-N 3.16Å; L589-R593 VanDerWaalsContact C-NH1 3.28Å; L589-R593 WeakPolarHBondContact O-CD 3.04Å; L589-R593 VanDerWaalsContact O-CZ 3.26Å; L589-R593 PolarHBondContact O-NE 2.83Å; L589-R593 PolarHBondContact O-NH1 3.26Å; L589-I614 HydrophobicContact CG-CG2 4.25Å; L589-L619 HydrophobicContact CD2-CD1 3.8Å; L589-A622 HydrophobicContact CD2-CB 4.31Å
590	V	97.6	Very high	95.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-133.3	-13.8	-172.7	-58.5	0	0	0	0	116	V532 L541 T586 Q592 R593 V595 L612 I614 L619	V532-V590 VanDerWaalsContact CB-O 3.25Å; V532-V590 WeakPolarHBondContact CB-O 3.16Å; V532-V590 HydrophobicContact CG1-CG2 4.34Å; V532-V590 HydrophobicContact CG2-CB 4Å; V532-V590 HydrophobicContact CG2-CG2 4.11Å; V532-V590 WeakPolarHBondContact CG2-O 3.12Å; L541-V590 HydrophobicContact CD2-CG2 3.61Å; T586-V590 HydrophobicContact CG2-CG2 3.81Å; T586-V590 WeakPolarHBondContact O-CG2 3.49Å; T586-V590 PolarHBondContact O-N 3.04Å; V590-Q592 PolarHBondContact O-N 3.09Å; V590-Q592 VanDerWaalsContact O-N 3.16Å; V590-R593 WeakPolarHBondContact O-CB 3.37Å; V590-R593 PolarHBondContact O-N 3.5Å; V590-V595 HydrophobicContact CB-CG1 4.35Å; V590-V595 HydrophobicContact CG1-CG1 4.42Å; V590-L612 HydrophobicContact CG1-CD2 3.93Å; V590-I614 HydrophobicContact CG1-CB 4.17Å; V590-I614 HydrophobicContact CG1-CG2 3.87Å; V590-L619 HydrophobicContact CG1-CD1 4.35Å; V590-L619 HydrophobicContact CG1-CD2 4.16Å; V590-L619 HydrophobicContact CG2-CD2 4.07Å
591	L	98	Very high	95.4	Very high	14 Å²	14	39.3 Å²	39.3	7%	0.073	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	124.5	-177	-177.9	60.9	0	0	0	111.4	Q349 V535 K587 R593	Q349-L591 HydrophobicContact CB-CD2 4.16Å; Q349-L591 HydrophobicContact CG-CD2 4.12Å; V535-L591 HydrophobicContact CG2-CB 4.48Å; V535-L591 HydrophobicContact CG2-CD1 4.28Å; K587-L591 HydrophobicContact CG-CD2 4.48Å; K587-L591 WeakPolarHBondContact O-CB 3.42Å; K587-L591 PolarHBondContact O-N 2.88Å; K587-L591 VanDerWaalsContact O-N 3.17Å; L591-R593 PolarHBondContact O-N 2.9Å; L591-R593 VanDerWaalsContact O-N 3.15Å
592	Q	97.6	Very high	95.3	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.028	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	18.5	-178.1	-56.2	-176.4	-14.6	0	0	115.6	V350 R408 I412 V532 V590	V350-Q592 PolarHBondContact O-NE2 3.44Å; R408-Q592 WeakPolarHBondContact CD-O 3.28Å; R408-Q592 HydrophobicContact CG-CB 4.03Å; R408-Q592 VanDerWaalsContact CG-O 3.26Å; R408-Q592 WeakPolarHBondContact CG-O 3.08Å; R408-Q592 PolarHBondContact NH1-O 3.39Å; I412-Q592 HydrophobicContact CD1-CB 3.98Å; I412-Q592 HydrophobicContact CG1-CB 4.05Å; V532-Q592 WeakPolarHBondContact O-CA 3.46Å; V532-Q592 PolarHBondContact O-N 3.39Å; V590-Q592 PolarHBondContact O-N 3.09Å; V590-Q592 VanDerWaalsContact O-N 3.16Å
593	R	96.9	Very high	94.9	Very high	39 Å²	39	39.4 Å²	39.4	15%	0.147	19%	0.193	C	C	.	.			trans	-90.2	154.8	171.5	-65.9	176.1	-169.9	177.2	3.3	110.5	I412 V531 V532 E588 L589 V590 L591 I614	I412-R593 HydrophobicContact CG1-CG 4.46Å; I412-R593 HydrophobicContact CG2-CG 4.47Å; V531-R593 WeakPolarHBondContact CA-O 3.28Å; V532-R593 PolarHBondContact N-O 3.39Å; E588-R593 VanDerWaalsContact O-CZ 3.27Å; E588-R593 PolarHBondContact O-NH1 3.17Å; E588-R593 PolarHBondContact O-NH2 2.74Å; L589-R593 VanDerWaalsContact C-NH1 3.28Å; L589-R593 WeakPolarHBondContact O-CD 3.04Å; L589-R593 VanDerWaalsContact O-CZ 3.26Å; L589-R593 PolarHBondContact O-NE 2.83Å; L589-R593 PolarHBondContact O-NH1 3.26Å; V590-R593 WeakPolarHBondContact O-CB 3.37Å; V590-R593 PolarHBondContact O-N 3.5Å; L591-R593 PolarHBondContact O-N 2.9Å; L591-R593 VanDerWaalsContact O-N 3.15Å; R593-I614 HydrophobicContact CB-CD1 3.92Å
594	E	97.1	Very high	94.2	Very high	111 Å²	111	43.8 Å²	43.8	52%	0.519	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127.3	167.1	-77.2	163.5	-173.6	0	0	107.8	R408 K409 A530 V531 I614	R408-E594 IonicContact CZ-OE1 3.56Å; R408-E594 IonicContact NH1-OE1 3.82Å; R408-E594 IonicContact NH2-OE1 3.36Å; R408-E594 PolarHBondContact NH2-OE1 3.31Å; K409-E594 WeakPolarHBondContact CE-OE1 3.31Å; A530-E594 WeakPolarHBondContact O-CA 3.39Å; V531-E594 HydrophobicContact CG2-CG 4.09Å; E594-I614 WeakPolarHBondContact O-CD1 3.28Å
595	V	97.8	Very high	93.6	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	159.9	-175.6	-60.3	0	0	0	0	109.1	A530 V532 V590 V597 L612 H613 I614	A530-V595 HydrophobicContact CB-CG2 3.99Å; A530-V595 PolarHBondContact N-O 3.28Å; A530-V595 PolarHBondContact O-N 3.5Å; V532-V595 HydrophobicContact CG2-CG1 3.89Å; V532-V595 HydrophobicContact CG2-CG2 3.88Å; V590-V595 HydrophobicContact CB-CG1 4.35Å; V590-V595 HydrophobicContact CG1-CG1 4.42Å; V595-V597 HydrophobicContact CG2-CG1 4.23Å; V595-L612 HydrophobicContact CB-CD2 3.98Å; V595-L612 HydrophobicContact CB-CG 4.1Å; V595-L612 HydrophobicContact CG1-CD2 3.9Å; V595-L612 HydrophobicContact CG1-CG 4.45Å; V595-L612 HydrophobicContact CG2-CD1 4.1Å; V595-L612 HydrophobicContact CG2-CD2 4.46Å; V595-L612 HydrophobicContact CG2-CG 4.12Å; V595-H613 CarbonylContact C-O 3.56Å; V595-H613 WeakPolarHBondContact CA-O 3.48Å; V595-H613 WeakPolarHBondContact CB-O 3.46Å; V595-I614 HydrophobicContact CG1-CB 4.24Å; V595-I614 HydrophobicContact CG1-CD1 4.08Å
596	E	97.8	Very high	93	Very high	81 Å²	81	40.6 Å²	40.6	38%	0.379	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.1	170.1	-59.4	175.6	165.2	0	0	108.8	R527 S528 L612 H613	R527-E596 WeakPolarHBondContact CD-OE2 3.45Å; R527-E596 IonicContact CZ-OE2 2.99Å; R527-E596 IonicContact NH1-OE2 3.86Å; R527-E596 PolarHBondContact NH1-OE2 2.73Å; S528-E596 CarbonylContact O-C 3.58Å; S528-E596 WeakPolarHBondContact O-CA 3.46Å; E596-L612 CarbonylContact O-C 3.59Å; E596-L612 WeakPolarHBondContact O-CA 3.15Å; E596-H613 HydrophobicContact CB-CB 4.29Å; E596-H613 PolarHBondContact N-O 3.16Å; E596-H613 PolarHBondContact O-N 2.91Å
597	V	97.4	Very high	92.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.4	177.9	-64.2	0	0	0	0	112.3	S528 A530 L543 M545 F554 V595 W611 L612	S528-V597 PolarHBondContact N-O 3.13Å; S528-V597 PolarHBondContact O-N 3.45Å; A530-V597 HydrophobicContact CB-CG2 4.14Å; L543-V597 HydrophobicContact CD1-CB 4.4Å; L543-V597 HydrophobicContact CD1-CG1 3.61Å; L543-V597 HydrophobicContact CD1-CG2 4.24Å; M545-V597 HydrophobicContact CE-CG2 3.96Å; M545-V597 HydrophobicContact SD-CG2 4.13Å; F554-V597 HydrophobicContact CE1-CG1 4.35Å; F554-V597 HydrophobicContact CE2-CB 3.94Å; F554-V597 HydrophobicContact CE2-CG1 4.32Å; F554-V597 HydrophobicContact CZ-CB 3.96Å; F554-V597 HydrophobicContact CZ-CG1 4.1Å; V595-V597 HydrophobicContact CG2-CG1 4.23Å; V597-W611 CarbonylContact C-O 3.59Å; V597-W611 VanDerWaalsContact CA-O 3.27Å; V597-W611 WeakPolarHBondContact CA-O 3.4Å; V597-L612 HydrophobicContact CG1-CB 4.07Å; V597-L612 HydrophobicContact CG1-CD1 4.08Å; V597-L612 HydrophobicContact CG1-CG 3.88Å
598	E	96	Very high	92.7	Very high	39 Å²	39	37.8 Å²	37.8	18%	0.182	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.6	173.5	-65.3	170.2	-163.7	0	0	107.8	R527 G610 W611 H613 Y640	R527-E598 HydrophobicContact CB-CG 4.5Å; R527-E598 HydrophobicContact CG-CG 3.55Å; R527-E598 VanDerWaalsContact CG-OE1 3.25Å; R527-E598 WeakPolarHBondContact CG-OE1 3.43Å; R527-E598 IonicContact CZ-OE1 2.68Å; R527-E598 IonicContact NE-OE1 3.18Å; R527-E598 PolarHBondContact NE-OE1 3.28Å; R527-E598 IonicContact NH2-OE1 3.34Å; R527-E598 PolarHBondContact NH2-OE1 2.94Å; E598-G610 CarbonylContact O-C 3.53Å; E598-G610 WeakPolarHBondContact O-CA 3.35Å; E598-W611 HydrophobicContact CB-CB 4.34Å; E598-W611 PolarHBondContact N-O 2.65Å; E598-W611 PolarHBondContact O-N 3.47Å; E598-H613 IonicContact OE1-CE1 3.09Å; E598-H613 PolarHBondContact OE1-CE1 3.15Å; E598-H613 IonicContact OE1-ND1 3.86Å; E598-Y640 PolarHBondContact OE1-OH 2.87Å; E598-Y640 PolarHBondContact OE2-OH 2.88Å; E598-Y640 VanDerWaalsContact OE2-OH 3.07Å
599	V	95.6	Very high	92.8	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.055	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.7	179.7	174.8	0	0	0	0	109.6	L519 L522 Q523 F554 F608	L519-V599 HydrophobicContact CD1-CG1 3.73Å; L522-V599 HydrophobicContact CB-CB 3.92Å; L522-V599 HydrophobicContact CB-CG1 4.15Å; L522-V599 HydrophobicContact CB-CG2 3.92Å; L522-V599 HydrophobicContact CD1-CG2 4.32Å; Q523-V599 WeakPolarHBondContact CG-O 3.45Å; F554-V599 HydrophobicContact CE2-CG2 3.99Å; V599-F608 HydrophobicContact CG1-CB 4.11Å; V599-F608 HydrophobicContact CG1-CD1 3.68Å; V599-F608 HydrophobicContact CG1-CG 4.26Å; V599-F608 HydrophobicContact CG2-CB 4.35Å
600	E	91.9	Very high	92.8	Very high	87 Å²	87	35.7 Å²	35.7	41%	0.407	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-42.9	177.9	-67.8	-165.9	149.3	0	0	112.6	Q523 I609 W611	Q523-E600 PolarHBondContact NE2-O 2.77Å; E600-I609 PolarHBondContact N-O 2.65Å; E600-W611 PolarHBondContact OE1-NE1 3.19Å
601	S	91.3	Very high	92.7	Very high	47 Å²	47	35.7 Å²	35.7	33%	0.329	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	-167.7	-174.9	65.8	0	0	0	0	111.5	F608 I609	S601-F608 WeakPolarHBondContact O-CA 3.44Å; S601-I609 PolarHBondContact N-O 3.47Å; S601-I609 VanDerWaalsContact N-O 3.11Å; S601-I609 PolarHBondContact O-N 2.96Å
602	M	89.1	Confident	92.8	Very high	35 Å²	35	35 Å²	35	17%	0.172	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	153.3	173.1	68.2	178.8	-66.3	0	0	111	T512 A515 K516 L519 N607 F608	T512-M602 HydrophobicContact CG2-CE 4.27Å; A515-M602 HydrophobicContact CB-CE 3.45Å; A515-M602 VanDerWaalsContact CB-CE 3.45Å; A515-M602 HydrophobicContact CB-SD 4.37Å; K516-M602 HydrophobicContact CB-SD 4.36Å; K516-M602 HydrophobicContact CG-CE 4.05Å; K516-M602 HydrophobicContact CG-SD 3.67Å; L519-M602 HydrophobicContact CB-SD 4.37Å; L519-M602 HydrophobicContact CD1-CB 4.42Å; L519-M602 HydrophobicContact CD2-CG 3.89Å; L519-M602 HydrophobicContact CD2-SD 3.97Å; M602-N607 CarbonylContact C-O 3.56Å; M602-N607 WeakPolarHBondContact CA-O 3.39Å; M602-N607 WeakPolarHBondContact CB-O 3.47Å; M602-F608 HydrophobicContact CB-CD1 4.3Å
603	D	84.2	Confident	92.8	Very high	45 Å²	45	35.2 Å²	35.2	24%	0.241	18%	0.178	C	C	.	.			trans	-86.3	175	172.1	76.4	8.8	0	0	0	113	A605 G606 N607 I609	D603-A605 PolarHBondContact O-N 2.98Å; D603-A605 VanDerWaalsContact OD1-C 3.28Å; D603-A605 VanDerWaalsContact OD1-CA 3.3Å; D603-A605 WeakPolarHBondContact OD1-CA 3.48Å; D603-A605 WeakPolarHBondContact OD1-CB 3.2Å; D603-A605 PolarHBondContact OD1-N 2.81Å; D603-G606 PolarHBondContact O-N 2.83Å; D603-G606 PolarHBondContact OD1-N 3.19Å; D603-N607 PolarHBondContact N-O 2.84Å; D603-N607 PolarHBondContact OD1-N 3.42Å; D603-N607 PolarHBondContact OD1-ND2 3.19Å; D603-N607 PolarHBondContact OD2-ND2 3.36Å; D603-I609 HydrophobicContact CB-CD1 4.23Å
604	K	79.8	Confident	92.7	Very high	132 Å²	132	33.8 Å²	33.8	57%	0.574	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.2	178	-68	-174	178.2	-179.5	0	113	T512 G606 D735	T512-K604 WeakPolarHBondContact CG2-O 3.33Å; T512-K604 PolarHBondContact OG1-O 2.65Å; K604-G606 VanDerWaalsContact C-N 3.3Å; K604-D735 IonicContact NZ-OD1 3.81Å; K604-D735 PolarHBondContact NZ-OD1 3.39Å
605	A	79.5	Confident	92.4	Very high	50 Å²	50	37.3 Å²	37.3	41%	0.413	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	4.6	-178.7	0	0	0	0	0	113	G510 D603	G510-A605 CarbonylContact C-O 3.56Å; G510-A605 WeakPolarHBondContact CA-O 3.43Å; D603-A605 PolarHBondContact O-N 2.98Å; D603-A605 VanDerWaalsContact OD1-C 3.28Å; D603-A605 VanDerWaalsContact OD1-CA 3.3Å; D603-A605 WeakPolarHBondContact OD1-CA 3.48Å; D603-A605 WeakPolarHBondContact OD1-CB 3.2Å; D603-A605 PolarHBondContact OD1-N 2.81Å
606	G	83.9	Confident	92	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	80.3	15.7	179.2	0	0	0	0	0	114.1	D603 K604	D603-G606 PolarHBondContact O-N 2.83Å; D603-G606 PolarHBondContact OD1-N 3.19Å; K604-G606 VanDerWaalsContact C-N 3.3Å
607	N	90.6	Very high	91.8	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	23%	0.225	C	C	.	.			trans	-85	127.7	171.3	-50	-62.9	0	0	0	108.8	R540 T553 L555 M602 D603	R540-N607 PolarHBondContact NH2-ND2 3.47Å; R540-N607 PolarHBondContact NH2-OD1 3.23Å; T553-N607 WeakPolarHBondContact CB-OD1 3.42Å; T553-N607 HydrophobicContact CG2-CB 4.38Å; T553-N607 WeakPolarHBondContact CG2-OD1 3.49Å; T553-N607 WeakPolarHBondContact O-CA 3.43Å; L555-N607 HydrophobicContact CD1-CB 3.73Å; L555-N607 HydrophobicContact CG-CB 4.03Å; M602-N607 CarbonylContact C-O 3.56Å; M602-N607 WeakPolarHBondContact CA-O 3.39Å; M602-N607 WeakPolarHBondContact CB-O 3.47Å; D603-N607 PolarHBondContact N-O 2.84Å; D603-N607 PolarHBondContact OD1-N 3.42Å; D603-N607 PolarHBondContact OD1-ND2 3.19Å; D603-N607 PolarHBondContact OD2-ND2 3.36Å
608	F	95.4	Very high	91.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	141.7	172	-65.5	-79	0	0	0	109.7	I508 A515 F518 L519 L522 I552 T553 F554 L555 V599 S601 M602	I508-F608 HydrophobicContact CD1-CE2 3.94Å; I508-F608 HydrophobicContact CD1-CZ 4.17Å; A515-F608 HydrophobicContact CB-CE1 4.37Å; A515-F608 HydrophobicContact CB-CE2 4.07Å; A515-F608 HydrophobicContact CB-CZ 3.76Å; A515-F608 WeakPolarHBondContact O-CZ 3.36Å; F518-F608 HydrophobicContact CB-CZ 4.14Å; L519-F608 HydrophobicContact CB-CE1 4.01Å; L519-F608 HydrophobicContact CD1-CD1 3.91Å; L519-F608 HydrophobicContact CD1-CE1 4.04Å; L522-F608 HydrophobicContact CD1-CD1 4.14Å; L522-F608 HydrophobicContact CD1-CD2 4.45Å; L522-F608 HydrophobicContact CD1-CE1 3.76Å; L522-F608 HydrophobicContact CD1-CE2 4.09Å; L522-F608 HydrophobicContact CD1-CG 4.45Å; L522-F608 HydrophobicContact CD1-CZ 3.71Å; I552-F608 HydrophobicContact CB-CD2 3.82Å; I552-F608 HydrophobicContact CB-CE2 3.97Å; I552-F608 HydrophobicContact CD1-CD2 4.06Å; I552-F608 HydrophobicContact CG1-CD2 4.44Å; I552-F608 HydrophobicContact CG2-CD2 4.22Å; I552-F608 HydrophobicContact CG2-CE2 3.9Å; T553-F608 PolarHBondContact O-N 3.4Å; F554-F608 CarbonylContact C-O 3.09Å; F554-F608 WeakPolarHBondContact CA-O 3.33Å; F554-F608 HydrophobicContact CD2-CB 4.18Å; L555-F608 PolarHBondContact N-O 3.27Å; V599-F608 HydrophobicContact CG1-CB 4.11Å; V599-F608 HydrophobicContact CG1-CD1 3.68Å; V599-F608 HydrophobicContact CG1-CG 4.26Å; V599-F608 HydrophobicContact CG2-CB 4.35Å; S601-F608 WeakPolarHBondContact O-CA 3.44Å; M602-F608 HydrophobicContact CB-CD1 4.3Å
609	I	94.9	Very high	91.8	Very high	44 Å²	44	38.5 Å²	38.5	23%	0.226	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.5	179.8	-58.2	168.7	0	0	0	107.8	L555 A557 E600 S601 D603	L555-I609 HydrophobicContact CB-CG1 4.14Å; L555-I609 HydrophobicContact CD1-CG1 4.42Å; L555-I609 WeakPolarHBondContact O-CA 3.23Å; A557-I609 HydrophobicContact CB-CG2 3.96Å; E600-I609 PolarHBondContact N-O 2.65Å; S601-I609 PolarHBondContact N-O 3.47Å; S601-I609 VanDerWaalsContact N-O 3.11Å; S601-I609 PolarHBondContact O-N 2.96Å; D603-I609 HydrophobicContact CB-CD1 4.23Å
610	G	95.6	Very high	91.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179	-167.6	-177.3	0	0	0	0	0	115.3	F554 L555 L556 A557 E598	F554-G610 WeakPolarHBondContact CE1-O 3.01Å; F554-G610 VanDerWaalsContact CZ-CA 3.48Å; L555-G610 PolarHBondContact O-N 2.74Å; L556-G610 CarbonylContact C-O 3.54Å; L556-G610 WeakPolarHBondContact CA-O 3.24Å; A557-G610 WeakPolarHBondContact CB-O 3.4Å; A557-G610 PolarHBondContact N-O 2.68Å; E598-G610 CarbonylContact O-C 3.53Å; E598-G610 WeakPolarHBondContact O-CA 3.35Å
611	W	97.2	Very high	92.1	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.4	-178.2	-51.3	97.8	0	0	0	110.9	A557 V597 E598 E600 S638 Y640 L644	A557-W611 HydrophobicContact CB-CD2 4Å; A557-W611 HydrophobicContact CB-CE3 4.29Å; A557-W611 HydrophobicContact CB-CH2 4.14Å; A557-W611 HydrophobicContact CB-CZ2 3.77Å; A557-W611 HydrophobicContact CB-CZ3 4.37Å; A557-W611 VanDerWaalsContact O-CZ3 3.26Å; A557-W611 WeakPolarHBondContact O-CZ3 3.36Å; V597-W611 CarbonylContact C-O 3.59Å; V597-W611 VanDerWaalsContact CA-O 3.27Å; V597-W611 WeakPolarHBondContact CA-O 3.4Å; E598-W611 HydrophobicContact CB-CB 4.34Å; E598-W611 PolarHBondContact N-O 2.65Å; E598-W611 PolarHBondContact O-N 3.47Å; E600-W611 PolarHBondContact OE1-NE1 3.19Å; W611-S638 VanDerWaalsContact CZ2-CB 3.49Å; W611-S638 WeakPolarHBondContact CZ2-OG 3.39Å; W611-Y640 HydrophobicContact CB-CE2 4.05Å; W611-Y640 AromaticContact CD1-CE2 3.64Å; W611-Y640 AromaticContact CD2-CD2 3.37Å; W611-Y640 HydrophobicContact CD2-CD2 3.37Å; W611-Y640 AromaticContact CD2-CE2 3.63Å; W611-Y640 HydrophobicContact CD2-CE2 3.63Å; W611-Y640 HydrophobicContact CD2-CG 4.43Å; W611-Y640 AromaticContact CE2-CD2 3.51Å; W611-Y640 AromaticContact CE2-CE2 3.93Å; W611-Y640 AromaticContact CE3-CD2 3.65Å; W611-Y640 HydrophobicContact CE3-CD2 3.65Å; W611-Y640 HydrophobicContact CE3-CE2 4.24Å; W611-Y640 HydrophobicContact CE3-CG 4.32Å; W611-Y640 AromaticContact CG-CD2 3.8Å; W611-Y640 HydrophobicContact CG-CD2 3.8Å; W611-Y640 AromaticContact CG-CE2 3.49Å; W611-Y640 HydrophobicContact CG-CE2 3.49Å; W611-Y640 VanDerWaalsContact CG-CE2 3.49Å; W611-Y640 HydrophobicContact CH2-CD2 4.13Å; W611-Y640 AromaticContact CZ2-CD2 3.94Å; W611-Y640 HydrophobicContact CZ2-CD2 3.94Å; W611-Y640 AromaticContact CZ3-CD2 4Å; W611-Y640 HydrophobicContact CZ3-CD2 4Å; W611-Y640 HydrophobicContact CZ3-CG 4.42Å; W611-Y640 AromaticContact NE1-CD2 3.9Å; W611-Y640 AromaticContact NE1-CE2 3.88Å; W611-L644 HydrophobicContact CH2-CD1 3.88Å; W611-L644 HydrophobicContact CZ3-CD1 3.93Å
612	L	98.3	Very high	92.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.2	176.3	-175	158	0	0	0	109.5	V532 L541 L543 F554 L556 V590 V595 E596 V597 L619	V532-L612 HydrophobicContact CG2-CD1 4.42Å; L541-L612 HydrophobicContact CD2-CD1 4.02Å; L543-L612 HydrophobicContact CD2-CD1 4.34Å; F554-L612 HydrophobicContact CE1-CB 4.09Å; L556-L612 HydrophobicContact CD2-CB 3.81Å; V590-L612 HydrophobicContact CG1-CD2 3.93Å; V595-L612 HydrophobicContact CB-CD2 3.98Å; V595-L612 HydrophobicContact CB-CG 4.1Å; V595-L612 HydrophobicContact CG1-CD2 3.9Å; V595-L612 HydrophobicContact CG1-CG 4.45Å; V595-L612 HydrophobicContact CG2-CD1 4.1Å; V595-L612 HydrophobicContact CG2-CD2 4.46Å; V595-L612 HydrophobicContact CG2-CG 4.12Å; E596-L612 CarbonylContact O-C 3.59Å; E596-L612 WeakPolarHBondContact O-CA 3.15Å; V597-L612 HydrophobicContact CG1-CB 4.07Å; V597-L612 HydrophobicContact CG1-CD1 4.08Å; V597-L612 HydrophobicContact CG1-CG 3.88Å; L612-L619 HydrophobicContact CB-CB 4.33Å; L612-L619 HydrophobicContact CD1-CD2 4.32Å; L612-L619 HydrophobicContact CD2-CB 3.92Å; L612-L619 HydrophobicContact CD2-CD2 3.92Å; L612-L619 PolarHBondContact O-N 3.22Å
613	H	97.4	Very high	92.6	Very high	9 Å²	9	31 Å²	31	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.5	179.5	-56.6	89.4	0	0	0	111	R527 V595 E596 E598 V617 N618 Y640	R527-H613 PolarHBondContact NH2-NE2 3.3Å; V595-H613 CarbonylContact C-O 3.56Å; V595-H613 WeakPolarHBondContact CA-O 3.48Å; V595-H613 WeakPolarHBondContact CB-O 3.46Å; E596-H613 HydrophobicContact CB-CB 4.29Å; E596-H613 PolarHBondContact N-O 3.16Å; E596-H613 PolarHBondContact O-N 2.91Å; E598-H613 IonicContact OE1-CE1 3.09Å; E598-H613 PolarHBondContact OE1-CE1 3.15Å; E598-H613 IonicContact OE1-ND1 3.86Å; H613-V617 CarbonylContact C-O 3.55Å; H613-V617 VanDerWaalsContact CA-O 3.27Å; H613-V617 WeakPolarHBondContact CA-O 3.08Å; H613-N618 PolarHBondContact NE2-ND2 2.79Å; H613-Y640 AromaticContact CE1-CZ 3.89Å; H613-Y640 PolarHBondContact CE1-OH 2.84Å; H613-Y640 VanDerWaalsContact CE1-OH 3.31Å; H613-Y640 AromaticContact NE2-CE1 3.82Å; H613-Y640 AromaticContact NE2-CZ 3.58Å; H613-Y640 PolarHBondContact NE2-OH 2.89Å
614	I	95.2	Very high	93.1	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.051	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	118.7	173.1	178.5	62.2	0	0	0	108.1	L589 V590 R593 E594 V595 G616 V617	L589-I614 HydrophobicContact CG-CG2 4.25Å; V590-I614 HydrophobicContact CG1-CB 4.17Å; V590-I614 HydrophobicContact CG1-CG2 3.87Å; R593-I614 HydrophobicContact CB-CD1 3.92Å; E594-I614 WeakPolarHBondContact O-CD1 3.28Å; V595-I614 HydrophobicContact CG1-CB 4.24Å; V595-I614 HydrophobicContact CG1-CD1 4.08Å; I614-G616 PolarHBondContact O-N 2.88Å; I614-G616 VanDerWaalsContact O-N 3.1Å; I614-V617 HydrophobicContact CG2-CB 4.39Å; I614-V617 PolarHBondContact N-O 3.48Å; I614-V617 WeakPolarHBondContact O-CB 3.09Å; I614-V617 PolarHBondContact O-N 2.88Å
615	E	91.2	Very high	93.7	Very high	185 Å²	185	27.6 Å²	27.6	86%	0.864	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	39.1	177.8	-60	178.8	171.8	0	0	113.5	V617	E615-V617 VanDerWaalsContact C-N 3.28Å; E615-V617 PolarHBondContact O-N 2.86Å
616	G	88.6	Confident	94.4	Very high	74 Å²	74	28.1 Å²	28.1	76%	0.763	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	-5.2	-178.4	0	0	0	0	0	115.4	I614	I614-G616 PolarHBondContact O-N 2.88Å; I614-G616 VanDerWaalsContact O-N 3.1Å
617	V	93.9	Very high	94.7	Very high	64 Å²	64	28.1 Å²	28.1	39%	0.388	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.8	176.4	-177.8	0	0	0	0	110.1	H613 I614 E615 A622	H613-V617 CarbonylContact C-O 3.55Å; H613-V617 VanDerWaalsContact CA-O 3.27Å; H613-V617 WeakPolarHBondContact CA-O 3.08Å; I614-V617 HydrophobicContact CG2-CB 4.39Å; I614-V617 PolarHBondContact N-O 3.48Å; I614-V617 WeakPolarHBondContact O-CB 3.09Å; I614-V617 PolarHBondContact O-N 2.88Å; E615-V617 VanDerWaalsContact C-N 3.28Å; E615-V617 PolarHBondContact O-N 2.86Å; V617-A622 HydrophobicContact CG1-CB 3.92Å
618	N	96.8	Very high	94.8	Very high	13 Å²	13	28 Å²	28	7%	0.07	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.7	171.7	-176.4	-55.8	0	0	0	109.8	H613 S620 V621 A622	H613-N618 PolarHBondContact NE2-ND2 2.79Å; N618-S620 VanDerWaalsContact C-N 3.35Å; N618-S620 PolarHBondContact O-N 3.15Å; N618-S620 WeakPolarHBondContact OD1-CB 3.41Å; N618-S620 PolarHBondContact OD1-N 2.91Å; N618-V621 HydrophobicContact CB-CB 4.2Å; N618-V621 HydrophobicContact CB-CG2 3.94Å; N618-V621 PolarHBondContact O-N 3.02Å; N618-V621 PolarHBondContact OD1-N 3.3Å; N618-A622 PolarHBondContact O-N 2.88Å
619	L	97.4	Very high	94.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-34	-173.9	-178.7	61.3	0	0	0	113.1	L541 L556 F585 T586 L589 V590 L612 V621 A622 L623	L541-L619 HydrophobicContact CD2-CD2 4.39Å; L556-L619 HydrophobicContact CD1-CB 4.35Å; L556-L619 HydrophobicContact CD1-CD2 3.71Å; L556-L619 HydrophobicContact CD1-CG 3.69Å; L556-L619 HydrophobicContact CD2-CB 4.46Å; L556-L619 HydrophobicContact CD2-CD2 4.03Å; L556-L619 HydrophobicContact CD2-CG 4.44Å; L556-L619 HydrophobicContact CG-CD2 4.45Å; F585-L619 HydrophobicContact CE1-CD1 4.46Å; T586-L619 HydrophobicContact CG2-CD2 4.02Å; L589-L619 HydrophobicContact CD2-CD1 3.8Å; V590-L619 HydrophobicContact CG1-CD1 4.35Å; V590-L619 HydrophobicContact CG1-CD2 4.16Å; V590-L619 HydrophobicContact CG2-CD2 4.07Å; L612-L619 HydrophobicContact CB-CB 4.33Å; L612-L619 HydrophobicContact CD1-CD2 4.32Å; L612-L619 HydrophobicContact CD2-CB 3.92Å; L612-L619 HydrophobicContact CD2-CD2 3.92Å; L612-L619 PolarHBondContact O-N 3.22Å; L619-V621 VanDerWaalsContact C-N 3.34Å; L619-A622 PolarHBondContact O-N 2.66Å; L619-L623 HydrophobicContact CD1-CG 4.49Å; L619-L623 HydrophobicContact CG-CD1 4.35Å; L619-L623 WeakPolarHBondContact O-CG 3.4Å; L619-L623 PolarHBondContact O-N 3.26Å
620	S	96.5	Very high	94.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-44	174.9	-63	0	0	0	0	110.8	A557 N618 L623 V624	A557-S620 PolarHBondContact O-OG 3.37Å; N618-S620 VanDerWaalsContact C-N 3.35Å; N618-S620 PolarHBondContact O-N 3.15Å; N618-S620 WeakPolarHBondContact OD1-CB 3.41Å; N618-S620 PolarHBondContact OD1-N 2.91Å; S620-L623 PolarHBondContact O-N 2.92Å; S620-V624 WeakPolarHBondContact O-CG2 3.25Å; S620-V624 PolarHBondContact O-N 2.87Å
621	V	96.1	Very high	93.8	Very high	14 Å²	14	31.5 Å²	31.5	9%	0.085	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-47.4	176.4	179.6	0	0	0	0	110.5	N618 L619 L623 V624 E625 A643 L644	N618-V621 HydrophobicContact CB-CB 4.2Å; N618-V621 HydrophobicContact CB-CG2 3.94Å; N618-V621 PolarHBondContact O-N 3.02Å; N618-V621 PolarHBondContact OD1-N 3.3Å; L619-V621 VanDerWaalsContact C-N 3.34Å; V621-L623 VanDerWaalsContact C-N 3.3Å; V621-L623 PolarHBondContact O-N 3.47Å; V621-V624 PolarHBondContact O-N 3Å; V621-E625 HydrophobicContact CG1-CG 4.04Å; V621-E625 WeakPolarHBondContact O-CG 3.34Å; V621-E625 PolarHBondContact O-N 3.34Å; V621-A643 HydrophobicContact CG1-CB 4.47Å; V621-A643 HydrophobicContact CG2-CB 4.27Å; V621-L644 HydrophobicContact CB-CD2 4.48Å; V621-L644 HydrophobicContact CG2-CD2 3.93Å; V621-L644 HydrophobicContact CG2-CG 4.05Å
622	A	96.1	Very high	93.3	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.041	19%	0.185	C	C	.	.	H	α-helix	trans	-59.9	-37.2	-179.5	0	0	0	0	0	113.1	F585 L589 V617 N618 L619 N626	F585-A622 HydrophobicContact CE1-CB 4.17Å; F585-A622 HydrophobicContact CZ-CB 4.13Å; L589-A622 HydrophobicContact CD2-CB 4.31Å; V617-A622 HydrophobicContact CG1-CB 3.92Å; N618-A622 PolarHBondContact O-N 2.88Å; L619-A622 PolarHBondContact O-N 2.66Å; A622-N626 WeakPolarHBondContact O-CB 3.28Å; A622-N626 PolarHBondContact O-N 3.07Å; A622-N626 VanDerWaalsContact O-N 3.15Å; A622-N626 PolarHBondContact O-ND2 3.01Å
623	L	95.4	Very high	92.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.9	-40.1	174.8	-79.5	164.9	0	0	0	112.2	G538 L556 I559 A582 F585 L619 S620 V621 L628 S629	G538-L623 WeakPolarHBondContact O-CD1 3.21Å; L556-L623 HydrophobicContact CD1-CD1 3.48Å; L556-L623 VanDerWaalsContact CD1-CD1 3.48Å; I559-L623 HydrophobicContact CD1-CB 4.34Å; I559-L623 HydrophobicContact CD1-CD1 3.73Å; A582-L623 HydrophobicContact CB-CD2 4.48Å; F585-L623 HydrophobicContact CD1-CD2 3.63Å; F585-L623 HydrophobicContact CD1-CG 4.27Å; F585-L623 HydrophobicContact CE1-CD2 4.1Å; F585-L623 HydrophobicContact CE1-CG 4.28Å; L619-L623 HydrophobicContact CD1-CG 4.49Å; L619-L623 HydrophobicContact CG-CD1 4.35Å; L619-L623 WeakPolarHBondContact O-CG 3.4Å; L619-L623 PolarHBondContact O-N 3.26Å; S620-L623 PolarHBondContact O-N 2.92Å; V621-L623 VanDerWaalsContact C-N 3.3Å; V621-L623 PolarHBondContact O-N 3.47Å; L623-L628 HydrophobicContact CD2-CB 3.99Å; L623-L628 WeakPolarHBondContact O-CA 3.28Å; L623-L628 WeakPolarHBondContact O-CB 3.48Å; L623-L628 PolarHBondContact O-N 2.47Å; L623-S629 PolarHBondContact O-N 3.06Å
624	V	94.1	Very high	91.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68	-46.8	176	176.5	0	0	0	0	110.7	I559 S620 V621 N626 A627 V631 L644 A647 E648 C651	I559-V624 HydrophobicContact CG2-CG2 3.62Å; S620-V624 WeakPolarHBondContact O-CG2 3.25Å; S620-V624 PolarHBondContact O-N 2.87Å; V621-V624 PolarHBondContact O-N 3Å; V624-N626 PolarHBondContact O-N 3.48Å; V624-N626 VanDerWaalsContact O-N 3.16Å; V624-A627 PolarHBondContact O-N 2.89Å; V624-V631 HydrophobicContact CG1-CG2 4.21Å; V624-V631 HydrophobicContact CG2-CG2 4.37Å; V624-L644 HydrophobicContact CB-CD2 4.43Å; V624-L644 HydrophobicContact CG2-CD2 3.87Å; V624-A647 HydrophobicContact CB-CB 4.31Å; V624-A647 HydrophobicContact CG1-CB 3.81Å; V624-E648 HydrophobicContact CG1-CB 3.7Å; V624-E648 HydrophobicContact CG1-CG 4.32Å; V624-C651 PolarHBondContact O-SG 3.19Å
625	E	94.1	Very high	90.8	Very high	106 Å²	106	42.2 Å²	42.2	50%	0.495	23%	0.229	S	C	.	.	H	α-helix	trans	-58.6	-27.3	178	-74.3	179.5	161	0	0	113.7	V621 A627 A647 C651	V621-E625 HydrophobicContact CG1-CG 4.04Å; V621-E625 WeakPolarHBondContact O-CG 3.34Å; V621-E625 PolarHBondContact O-N 3.34Å; E625-A627 VanDerWaalsContact C-N 3.34Å; E625-A647 HydrophobicContact CB-CB 4.34Å; E625-A647 HydrophobicContact CG-CB 3.39Å; E625-C651 PolarHBondContact O-SG 2.92Å
626	N	93.2	Very high	90.3	Very high	61 Å²	61	39.1 Å²	39.1	33%	0.326	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	10.2	177.4	-77.3	-91.2	0	0	0	113.2	F585 A622 V624 L628 K657	F585-N626 HydrophobicContact CE2-CB 4.16Å; F585-N626 HydrophobicContact CZ-CB 4.32Å; F585-N626 WeakPolarHBondContact CZ-ND2 3.32Å; A622-N626 WeakPolarHBondContact O-CB 3.28Å; A622-N626 PolarHBondContact O-N 3.07Å; A622-N626 VanDerWaalsContact O-N 3.15Å; A622-N626 PolarHBondContact O-ND2 3.01Å; V624-N626 PolarHBondContact O-N 3.48Å; V624-N626 VanDerWaalsContact O-N 3.16Å; N626-L628 VanDerWaalsContact C-N 3.25Å; N626-L628 HydrophobicContact CB-CD1 3.99Å; N626-L628 HydrophobicContact CB-CG 4.24Å; N626-L628 WeakPolarHBondContact O-CG 3.37Å; N626-L628 PolarHBondContact O-N 3.09Å; N626-K657 WeakPolarHBondContact O-CD 3.45Å; N626-K657 WeakPolarHBondContact O-CE 3.26Å; N626-K657 PolarHBondContact O-NZ 3.16Å; N626-K657 VanDerWaalsContact O-NZ 3.09Å
627	A	91.1	Very high	89.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	37.8	-176.2	0	0	0	0	0	113.2	V624 E625 C651 E656 K657 I658	V624-A627 PolarHBondContact O-N 2.89Å; E625-A627 VanDerWaalsContact C-N 3.34Å; A627-C651 HydrophobicContact CB-CB 4.11Å; A627-E656 HydrophobicContact CB-CB 4.34Å; A627-E656 WeakPolarHBondContact CB-O 3.3Å; A627-K657 HydrophobicContact CB-CB 3.96Å; A627-K657 HydrophobicContact CB-CD 4.43Å; A627-K657 HydrophobicContact CB-CG 4.4Å; A627-K657 WeakPolarHBondContact O-CB 3.36Å; A627-I658 HydrophobicContact CB-CG1 4.42Å; A627-I658 VanDerWaalsContact O-CG1 3.28Å; A627-I658 WeakPolarHBondContact O-CG1 3.39Å; A627-I658 WeakPolarHBondContact O-CG2 3.46Å; A627-I658 PolarHBondContact O-N 3.01Å
628	L	91.4	Very high	89.6	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.208	C	C	.	.	S	Bend	trans	-112.6	-0.5	-179.5	-66.5	171.8	0	0	0	112.7	P562 F578 E581 A582 F585 L623 N626 K657	P562-L628 WeakPolarHBondContact CD-O 3.48Å; F578-L628 HydrophobicContact CB-CD2 4.24Å; E581-L628 HydrophobicContact CB-CD2 3.97Å; E581-L628 HydrophobicContact CG-CD2 3.92Å; A582-L628 HydrophobicContact CB-CB 4.06Å; A582-L628 HydrophobicContact CB-CD2 4.44Å; F585-L628 HydrophobicContact CB-CD1 3.53Å; F585-L628 HydrophobicContact CD1-CD1 4.14Å; F585-L628 HydrophobicContact CD2-CD1 4Å; F585-L628 HydrophobicContact CG-CD1 3.63Å; L623-L628 HydrophobicContact CD2-CB 3.99Å; L623-L628 WeakPolarHBondContact O-CA 3.28Å; L623-L628 WeakPolarHBondContact O-CB 3.48Å; L623-L628 PolarHBondContact O-N 2.47Å; N626-L628 VanDerWaalsContact C-N 3.25Å; N626-L628 HydrophobicContact CB-CD1 3.99Å; N626-L628 HydrophobicContact CB-CG 4.24Å; N626-L628 WeakPolarHBondContact O-CG 3.37Å; N626-L628 PolarHBondContact O-N 3.09Å; L628-K657 HydrophobicContact CD2-CD 3.81Å; L628-K657 HydrophobicContact CG-CD 4.33Å
629	S	91.1	Very high	89.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.243	C	C	.	.			trans	-156	161.5	172.6	-68	0	0	0	0	111	E560 C561 L623 I658	E560-S629 WeakPolarHBondContact O-CA 3.34Å; C561-S629 WeakPolarHBondContact CA-OG 3.41Å; C561-S629 WeakPolarHBondContact CB-OG 3.37Å; L623-S629 PolarHBondContact O-N 3.06Å; S629-I658 VanDerWaalsContact C-CD1 3.49Å; S629-I658 VanDerWaalsContact O-CD1 3.31Å; S629-I658 WeakPolarHBondContact O-CD1 3.34Å
630	K	87.9	Confident	89	Confident	90 Å²	90	50.9 Å²	50.9	39%	0.391	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	155.9	175.2	-58.1	-176	-179.7	174.7	0	110.8	I559 E560 E648 I658 W659	I559-K630 CarbonylContact C-O 3.56Å; I559-K630 WeakPolarHBondContact CA-O 3.29Å; I559-K630 WeakPolarHBondContact CB-O 3.4Å; E560-K630 PolarHBondContact N-O 3.29Å; E560-K630 PolarHBondContact O-N 3.15Å; K630-E648 WeakPolarHBondContact CA-OE1 3.41Å; K630-I658 HydrophobicContact CG-CD1 3.79Å; K630-W659 HydrophobicContact CB-CZ2 4.43Å; K630-W659 HydrophobicContact CD-CH2 4.14Å; K630-W659 HydrophobicContact CD-CZ2 4.39Å; K630-W659 HydrophobicContact CG-CH2 4.05Å; K630-W659 HydrophobicContact CG-CZ2 3.83Å
631	V	86.5	Confident	88.7	Confident	28 Å²	28	55.3 Å²	55.3	17%	0.17	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.5	174	-176.1	0	0	0	0	109.1	V624 A635 L644 E648	V624-V631 HydrophobicContact CG1-CG2 4.21Å; V624-V631 HydrophobicContact CG2-CG2 4.37Å; V631-A635 HydrophobicContact CG1-CB 3.94Å; V631-L644 HydrophobicContact CG1-CB 4.28Å; V631-L644 HydrophobicContact CG2-CB 3.89Å; V631-L644 WeakPolarHBondContact CG2-O 3.49Å; V631-E648 HydrophobicContact CG2-CB 3.78Å; V631-E648 HydrophobicContact CG2-CG 4.22Å; V631-E648 PolarHBondContact N-OE1 3.42Å
632	H	86.5	Confident	88.5	Confident	40 Å²	40	63.1 Å²	63.1	19%	0.185	30%	0.302	C	S	.	.			trans	-100.5	148.2	175.8	-174.8	-102.7	0	0	0	110	G558 E560 T634 A635	G558-H632 PolarHBondContact O-N 3.1Å; E560-H632 HydrophobicContact CG-CB 4.17Å; E560-H632 IonicContact OE1-CD2 3.25Å; E560-H632 PolarHBondContact OE1-CD2 2.93Å; E560-H632 IonicContact OE1-NE2 3.85Å; H632-T634 VanDerWaalsContact CE1-CG2 3.44Å; H632-T634 WeakPolarHBondContact CE1-CG2 3.35Å; H632-T634 VanDerWaalsContact ND1-CG2 3.34Å; H632-T634 WeakPolarHBondContact ND1-CG2 3.15Å; H632-T634 PolarHBondContact ND1-N 3.02Å; H632-T634 PolarHBondContact ND1-OG1 2.97Å; H632-T634 PolarHBondContact O-N 3.39Å; H632-A635 VanDerWaalsContact O-CB 3.25Å; H632-A635 WeakPolarHBondContact O-CB 3.5Å; H632-A635 PolarHBondContact O-N 3.5Å
633	F	78.4	Confident	88.3	Confident	139 Å²	139	65.2 Å²	65.2	61%	0.61	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-57	-22.4	-177.4	71	-94.4	0	0	0	113.7	A635 E636	F633-A635 PolarHBondContact O-N 3.32Å; F633-A635 VanDerWaalsContact O-N 3.16Å; F633-E636 WeakPolarHBondContact O-CB 3.33Å; F633-E636 WeakPolarHBondContact O-CG 3.41Å; F633-E636 PolarHBondContact O-N 3.31Å
634	T	79.1	Confident	88.1	Confident	67 Å²	67	65.2 Å²	65.2	41%	0.411	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-63.6	-18.3	174.7	54.8	0	0	0	0	113.2	H632 E636	H632-T634 VanDerWaalsContact CE1-CG2 3.44Å; H632-T634 WeakPolarHBondContact CE1-CG2 3.35Å; H632-T634 VanDerWaalsContact ND1-CG2 3.34Å; H632-T634 WeakPolarHBondContact ND1-CG2 3.15Å; H632-T634 PolarHBondContact ND1-N 3.02Å; H632-T634 PolarHBondContact ND1-OG1 2.97Å; H632-T634 PolarHBondContact O-N 3.39Å; T634-E636 VanDerWaalsContact C-N 3.32Å; T634-E636 PolarHBondContact O-N 3.08Å
635	A	81.4	Confident	87.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-70.1	-23.3	175.7	0	0	0	0	0	113.5	V631 H632 F633 R637 S638 Y641 L644	V631-A635 HydrophobicContact CG1-CB 3.94Å; H632-A635 VanDerWaalsContact O-CB 3.25Å; H632-A635 WeakPolarHBondContact O-CB 3.5Å; H632-A635 PolarHBondContact O-N 3.5Å; F633-A635 PolarHBondContact O-N 3.32Å; F633-A635 VanDerWaalsContact O-N 3.16Å; A635-R637 PolarHBondContact O-N 3.26Å; A635-S638 VanDerWaalsContact O-CB 3.23Å; A635-S638 WeakPolarHBondContact O-CB 3.29Å; A635-S638 PolarHBondContact O-N 3.1Å; A635-Y641 HydrophobicContact CB-CD2 3.97Å; A635-Y641 WeakPolarHBondContact O-CB 3.38Å; A635-L644 HydrophobicContact CB-CD1 3.71Å
636	E	81.5	Confident	87.7	Confident	120 Å²	120	66 Å²	66	56%	0.561	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-55.9	-31.6	-171.2	-71.7	173.2	-165.6	0	0	114.2	F633 T634 Y641	F633-E636 WeakPolarHBondContact O-CB 3.33Å; F633-E636 WeakPolarHBondContact O-CG 3.41Å; F633-E636 PolarHBondContact O-N 3.31Å; T634-E636 VanDerWaalsContact C-N 3.32Å; T634-E636 PolarHBondContact O-N 3.08Å; E636-Y641 HydrophobicContact CB-CE2 4.37Å; E636-Y641 HydrophobicContact CG-CD2 4.4Å; E636-Y641 HydrophobicContact CG-CE2 3.78Å
637	R	79.3	Confident	87.6	Confident	233 Å²	233	63.4 Å²	63.4	88%	0.879	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-93.4	1.1	-179.8	-67.3	-175.5	-76.8	-161.2	-5.4	113.6	A635	A635-R637 PolarHBondContact O-N 3.26Å
638	S	87.8	Confident	87.4	Confident	19 Å²	19	64.5 Å²	64.5	13%	0.133	33%	0.327	C	S	.	.	S	Bend	trans	-90.7	149.1	-178.3	177.4	0	0	0	0	112	W611 A635 Y640 Y641	W611-S638 VanDerWaalsContact CZ2-CB 3.49Å; W611-S638 WeakPolarHBondContact CZ2-OG 3.39Å; A635-S638 VanDerWaalsContact O-CB 3.23Å; A635-S638 WeakPolarHBondContact O-CB 3.29Å; A635-S638 PolarHBondContact O-N 3.1Å; S638-Y640 PolarHBondContact O-N 3.03Å; S638-Y640 VanDerWaalsContact O-N 3.15Å; S638-Y640 VanDerWaalsContact OG-CD2 3.3Å; S638-Y640 WeakPolarHBondContact OG-CD2 3.44Å; S638-Y640 PolarHBondContact OG-N 3.45Å; S638-Y640 VanDerWaalsContact OG-N 3.13Å; S638-Y641 WeakPolarHBondContact O-CB 3.28Å; S638-Y641 PolarHBondContact O-N 3.49Å
639	A	89.8	Confident	87.2	Confident	99 Å²	99	69.9 Å²	69.9	82%	0.818	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.1	169.7	0	0	0	0	0	112.9
640	Y	92.5	Very high	87	Confident	46 Å²	46	71.9 Å²	71.9	18%	0.18	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-2.3	-179.2	-51.3	-66.5	0	0	0	113.8	E598 W611 H613 S638 K642 A643 L644	E598-Y640 PolarHBondContact OE1-OH 2.87Å; E598-Y640 PolarHBondContact OE2-OH 2.88Å; E598-Y640 VanDerWaalsContact OE2-OH 3.07Å; W611-Y640 HydrophobicContact CB-CE2 4.05Å; W611-Y640 AromaticContact CD1-CE2 3.64Å; W611-Y640 AromaticContact CD2-CD2 3.37Å; W611-Y640 HydrophobicContact CD2-CD2 3.37Å; W611-Y640 AromaticContact CD2-CE2 3.63Å; W611-Y640 HydrophobicContact CD2-CE2 3.63Å; W611-Y640 HydrophobicContact CD2-CG 4.43Å; W611-Y640 AromaticContact CE2-CD2 3.51Å; W611-Y640 AromaticContact CE2-CE2 3.93Å; W611-Y640 AromaticContact CE3-CD2 3.65Å; W611-Y640 HydrophobicContact CE3-CD2 3.65Å; W611-Y640 HydrophobicContact CE3-CE2 4.24Å; W611-Y640 HydrophobicContact CE3-CG 4.32Å; W611-Y640 AromaticContact CG-CD2 3.8Å; W611-Y640 HydrophobicContact CG-CD2 3.8Å; W611-Y640 AromaticContact CG-CE2 3.49Å; W611-Y640 HydrophobicContact CG-CE2 3.49Å; W611-Y640 VanDerWaalsContact CG-CE2 3.49Å; W611-Y640 HydrophobicContact CH2-CD2 4.13Å; W611-Y640 AromaticContact CZ2-CD2 3.94Å; W611-Y640 HydrophobicContact CZ2-CD2 3.94Å; W611-Y640 AromaticContact CZ3-CD2 4Å; W611-Y640 HydrophobicContact CZ3-CD2 4Å; W611-Y640 HydrophobicContact CZ3-CG 4.42Å; W611-Y640 AromaticContact NE1-CD2 3.9Å; W611-Y640 AromaticContact NE1-CE2 3.88Å; H613-Y640 AromaticContact CE1-CZ 3.89Å; H613-Y640 PolarHBondContact CE1-OH 2.84Å; H613-Y640 VanDerWaalsContact CE1-OH 3.31Å; H613-Y640 AromaticContact NE2-CE1 3.82Å; H613-Y640 AromaticContact NE2-CZ 3.58Å; H613-Y640 PolarHBondContact NE2-OH 2.89Å; S638-Y640 PolarHBondContact O-N 3.03Å; S638-Y640 VanDerWaalsContact O-N 3.15Å; S638-Y640 VanDerWaalsContact OG-CD2 3.3Å; S638-Y640 WeakPolarHBondContact OG-CD2 3.44Å; S638-Y640 PolarHBondContact OG-N 3.45Å; S638-Y640 VanDerWaalsContact OG-N 3.13Å; Y640-K642 PolarHBondContact O-N 3.05Å; Y640-A643 PolarHBondContact O-N 3.2Å; Y640-L644 PolarHBondContact O-N 3.23Å
641	Y	89.7	Confident	86.9	Confident	93 Å²	93	67.8 Å²	67.8	37%	0.365	35%	0.351	S	S	.	.	H	α-helix	trans	-54.2	-48.4	-175.9	-175.6	-123.7	0	0	0	113.2	A635 E636 S638 A643 L644 V645	A635-Y641 HydrophobicContact CB-CD2 3.97Å; A635-Y641 WeakPolarHBondContact O-CB 3.38Å; E636-Y641 HydrophobicContact CB-CE2 4.37Å; E636-Y641 HydrophobicContact CG-CD2 4.4Å; E636-Y641 HydrophobicContact CG-CE2 3.78Å; S638-Y641 WeakPolarHBondContact O-CB 3.28Å; S638-Y641 PolarHBondContact O-N 3.49Å; Y641-A643 VanDerWaalsContact C-N 3.31Å; Y641-A643 PolarHBondContact O-N 2.96Å; Y641-L644 PolarHBondContact O-N 2.87Å; Y641-V645 HydrophobicContact CD1-CG2 4.45Å; Y641-V645 HydrophobicContact CD2-CG2 3.84Å; Y641-V645 HydrophobicContact CE1-CG2 4.07Å; Y641-V645 HydrophobicContact CE2-CG2 3.4Å; Y641-V645 HydrophobicContact CG-CG2 4.34Å; Y641-V645 WeakPolarHBondContact O-CG2 3.44Å; Y641-V645 PolarHBondContact O-N 2.95Å
642	K	91.1	Very high	86.5	Confident	179 Å²	179	70 Å²	70	78%	0.778	36%	0.357	S	S	*	.	H	α-helix	trans	-60.1	-40.7	-178.6	-176.7	177	179.8	-179.5	0	112.3	Y640 S646	Y640-K642 PolarHBondContact O-N 3.05Å; K642-S646 VanDerWaalsContact O-CB 3.25Å; K642-S646 WeakPolarHBondContact O-CB 3.48Å; K642-S646 PolarHBondContact O-N 3.08Å; K642-S646 VanDerWaalsContact O-N 3.09Å
643	A	92.4	Very high	86.3	Confident	48 Å²	48	75.4 Å²	75.4	40%	0.397	38%	0.382	S	S	.	.	H	α-helix	trans	-68.8	-43	178.1	0	0	0	0	0	111.3	V621 Y640 Y641 S646 A647	V621-A643 HydrophobicContact CG1-CB 4.47Å; V621-A643 HydrophobicContact CG2-CB 4.27Å; Y640-A643 PolarHBondContact O-N 3.2Å; Y641-A643 VanDerWaalsContact C-N 3.31Å; Y641-A643 PolarHBondContact O-N 2.96Å; A643-S646 PolarHBondContact O-N 2.94Å; A643-A647 VanDerWaalsContact O-CB 3.31Å; A643-A647 WeakPolarHBondContact O-CB 3.25Å; A643-A647 PolarHBondContact O-N 2.8Å
644	L	91.1	Very high	86.5	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-61.4	-48.6	177.5	-76.7	167.2	0	0	0	112.5	I559 W611 V621 V624 V631 A635 Y640 Y641 A647 E648	I559-L644 HydrophobicContact CG2-CD2 3.85Å; W611-L644 HydrophobicContact CH2-CD1 3.88Å; W611-L644 HydrophobicContact CZ3-CD1 3.93Å; V621-L644 HydrophobicContact CB-CD2 4.48Å; V621-L644 HydrophobicContact CG2-CD2 3.93Å; V621-L644 HydrophobicContact CG2-CG 4.05Å; V624-L644 HydrophobicContact CB-CD2 4.43Å; V624-L644 HydrophobicContact CG2-CD2 3.87Å; V631-L644 HydrophobicContact CG1-CB 4.28Å; V631-L644 HydrophobicContact CG2-CB 3.89Å; V631-L644 WeakPolarHBondContact CG2-O 3.49Å; A635-L644 HydrophobicContact CB-CD1 3.71Å; Y640-L644 PolarHBondContact O-N 3.23Å; Y641-L644 PolarHBondContact O-N 2.87Å; L644-A647 PolarHBondContact O-N 2.74Å; L644-E648 WeakPolarHBondContact O-CB 3.46Å; L644-E648 PolarHBondContact O-N 3.09Å
645	V	89.4	Confident	86.5	Confident	48 Å²	48	78.1 Å²	78.1	29%	0.291	39%	0.388	S	S	.	.	H	α-helix	trans	-64.5	-44.5	178.9	174.3	0	0	0	0	110.8	Y641 A647 E648 E649	Y641-V645 HydrophobicContact CD1-CG2 4.45Å; Y641-V645 HydrophobicContact CD2-CG2 3.84Å; Y641-V645 HydrophobicContact CE1-CG2 4.07Å; Y641-V645 HydrophobicContact CE2-CG2 3.4Å; Y641-V645 HydrophobicContact CG-CG2 4.34Å; Y641-V645 WeakPolarHBondContact O-CG2 3.44Å; Y641-V645 PolarHBondContact O-N 2.95Å; V645-A647 VanDerWaalsContact C-N 3.3Å; V645-A647 PolarHBondContact O-N 3.3Å; V645-E648 PolarHBondContact O-N 2.87Å; V645-E649 WeakPolarHBondContact O-CB 3.36Å; V645-E649 PolarHBondContact O-N 3.43Å
646	S	91.2	Very high	86.2	Confident	76 Å²	76	82.5 Å²	82.5	53%	0.531	41%	0.408	S	S	.	.	H	α-helix	trans	-60.7	-39.5	177.2	-176.2	0	0	0	0	112.4	K642 A643 A650	K642-S646 VanDerWaalsContact O-CB 3.25Å; K642-S646 WeakPolarHBondContact O-CB 3.48Å; K642-S646 PolarHBondContact O-N 3.08Å; K642-S646 VanDerWaalsContact O-N 3.09Å; A643-S646 PolarHBondContact O-N 2.94Å; S646-A650 WeakPolarHBondContact O-CB 3.45Å; S646-A650 PolarHBondContact O-N 2.83Å
647	A	90.9	Very high	86.2	Confident	6 Å²	6	79.4 Å²	79.4	5%	0.05	39%	0.393	C	S	.	.	H	α-helix	trans	-66.1	-44.9	175.5	0	0	0	0	0	111.6	V624 E625 A643 L644 V645 A650 C651	V624-A647 HydrophobicContact CB-CB 4.31Å; V624-A647 HydrophobicContact CG1-CB 3.81Å; E625-A647 HydrophobicContact CB-CB 4.34Å; E625-A647 HydrophobicContact CG-CB 3.39Å; A643-A647 VanDerWaalsContact O-CB 3.31Å; A643-A647 WeakPolarHBondContact O-CB 3.25Å; A643-A647 PolarHBondContact O-N 2.8Å; L644-A647 PolarHBondContact O-N 2.74Å; V645-A647 VanDerWaalsContact C-N 3.3Å; V645-A647 PolarHBondContact O-N 3.3Å; A647-A650 PolarHBondContact O-N 3.5Å; A647-C651 PolarHBondContact O-N 3Å; A647-C651 VanDerWaalsContact O-N 3.09Å; A647-C651 PolarHBondContact O-SG 3.41Å; A647-C651 VanDerWaalsContact O-SG 3.35Å
648	E	86.8	Confident	86.1	Confident	23 Å²	23	69.8 Å²	69.8	11%	0.107	36%	0.358	C	S	.	.	H	α-helix	trans	-63.8	-44	-179.5	-165.7	-179.1	-111.8	0	0	111.9	V624 K630 V631 L644 V645 A650 C651 R652 W659	V624-E648 HydrophobicContact CG1-CB 3.7Å; V624-E648 HydrophobicContact CG1-CG 4.32Å; K630-E648 WeakPolarHBondContact CA-OE1 3.41Å; V631-E648 HydrophobicContact CG2-CB 3.78Å; V631-E648 HydrophobicContact CG2-CG 4.22Å; V631-E648 PolarHBondContact N-OE1 3.42Å; L644-E648 WeakPolarHBondContact O-CB 3.46Å; L644-E648 PolarHBondContact O-N 3.09Å; V645-E648 PolarHBondContact O-N 2.87Å; E648-A650 VanDerWaalsContact C-N 3.34Å; E648-A650 PolarHBondContact O-N 2.94Å; E648-C651 PolarHBondContact O-N 3.41Å; E648-R652 VanDerWaalsContact O-CB 3.28Å; E648-R652 WeakPolarHBondContact O-CB 3.39Å; E648-R652 PolarHBondContact O-N 2.96Å; E648-R652 IonicContact OE2-CZ 3.61Å; E648-R652 IonicContact OE2-NH2 3.3Å; E648-R652 PolarHBondContact OE2-NH2 3.42Å; E648-W659 HydrophobicContact CG-CH2 3.87Å; E648-W659 HydrophobicContact CG-CZ2 3.36Å; E648-W659 WeakPolarHBondContact OE1-CZ2 3.23Å
649	E	86.4	Confident	85.5	Confident	113 Å²	113	69.1 Å²	69.1	53%	0.528	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-41.3	-180	-160.6	169.7	-151.5	0	0	111.2	V645 R652 Q653	V645-E649 WeakPolarHBondContact O-CB 3.36Å; V645-E649 PolarHBondContact O-N 3.43Å; E649-R652 PolarHBondContact O-N 2.91Å; E649-Q653 WeakPolarHBondContact O-CG 3.46Å; E649-Q653 PolarHBondContact O-N 3.16Å
650	A	87.9	Confident	84.7	Confident	42 Å²	42	66.6 Å²	66.6	35%	0.347	33%	0.332	S	S	.	.	H	α-helix	trans	-63.2	-42	174.6	0	0	0	0	0	112.6	S646 A647 E648 K654	S646-A650 WeakPolarHBondContact O-CB 3.45Å; S646-A650 PolarHBondContact O-N 2.83Å; A647-A650 PolarHBondContact O-N 3.5Å; E648-A650 VanDerWaalsContact C-N 3.34Å; E648-A650 PolarHBondContact O-N 2.94Å; A650-K654 WeakPolarHBondContact O-CG 3.27Å; A650-K654 PolarHBondContact O-N 3.21Å
651	C	84.8	Confident	83.2	Confident	5 Å²	5	71.7 Å²	71.7	3%	0.034	36%	0.362	C	S	.	.	H	α-helix	trans	-69	-37.9	176.9	-69	0	0	0	0	112.6	V624 E625 A627 A647 E648 K654 K655	V624-C651 PolarHBondContact O-SG 3.19Å; E625-C651 PolarHBondContact O-SG 2.92Å; A627-C651 HydrophobicContact CB-CB 4.11Å; A647-C651 PolarHBondContact O-N 3Å; A647-C651 VanDerWaalsContact O-N 3.09Å; A647-C651 PolarHBondContact O-SG 3.41Å; A647-C651 VanDerWaalsContact O-SG 3.35Å; E648-C651 PolarHBondContact O-N 3.41Å; C651-K654 PolarHBondContact O-N 2.97Å; C651-K655 PolarHBondContact O-N 3.47Å; C651-K655 VanDerWaalsContact O-N 3.16Å
652	R	78.9	Confident	81.3	Confident	75 Å²	75	70.6 Å²	70.6	28%	0.283	36%	0.358	S	S	.	.	H	α-helix	trans	-63.5	-42.4	176.9	-170.7	-174.9	-69.3	-175.5	8.2	111.5	E648 E649 K654 K655 W659 Y662	E648-R652 VanDerWaalsContact O-CB 3.28Å; E648-R652 WeakPolarHBondContact O-CB 3.39Å; E648-R652 PolarHBondContact O-N 2.96Å; E648-R652 IonicContact OE2-CZ 3.61Å; E648-R652 IonicContact OE2-NH2 3.3Å; E648-R652 PolarHBondContact OE2-NH2 3.42Å; E649-R652 PolarHBondContact O-N 2.91Å; R652-K654 VanDerWaalsContact C-N 3.31Å; R652-K654 PolarHBondContact O-N 2.84Å; R652-K655 PolarHBondContact O-N 3.49Å; R652-W659 HydrophobicContact CB-CD2 4.31Å; R652-W659 HydrophobicContact CB-CE3 4.31Å; R652-W659 HydrophobicContact CG-CE3 4.07Å; R652-W659 HydrophobicContact CG-CZ3 4.44Å; R652-Y662 HydrophobicContact CG-CD1 3.5Å; R652-Y662 HydrophobicContact CG-CE1 3.48Å; R652-Y662 VanDerWaalsContact CG-CE1 3.48Å; R652-Y662 HydrophobicContact CG-CG 4.28Å; R652-Y662 PolarHBondContact NH1-OH 3.2Å
653	Q	80.8	Confident	79.1	Confident	152 Å²	152	67 Å²	67	71%	0.71	35%	0.351	S	S	*	.	H	α-helix	trans	-61.7	-37.6	174.9	-74	176	15.4	0	0	112.6	E649 K655	E649-Q653 WeakPolarHBondContact O-CG 3.46Å; E649-Q653 PolarHBondContact O-N 3.16Å; Q653-K655 VanDerWaalsContact C-N 3.32Å; Q653-K655 PolarHBondContact O-N 3.43Å
654	K	82.8	Confident	76.8	Confident	136 Å²	136	71.8 Å²	71.8	59%	0.591	37%	0.365	S	S	*	.	H	α-helix	trans	-77.4	-14.1	179.3	-67.2	175.8	-177.2	178.8	0	114	A650 C651 R652 E656	A650-K654 WeakPolarHBondContact O-CG 3.27Å; A650-K654 PolarHBondContact O-N 3.21Å; C651-K654 PolarHBondContact O-N 2.97Å; R652-K654 VanDerWaalsContact C-N 3.31Å; R652-K654 PolarHBondContact O-N 2.84Å; K654-E656 VanDerWaalsContact C-N 3.29Å; K654-E656 HydrophobicContact CB-CG 3.88Å; K654-E656 PolarHBondContact O-N 3.47Å
655	K	79.9	Confident	74	Confident	128 Å²	128	78.7 Å²	78.7	56%	0.557	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	50.2	-174.5	-62.8	-173.6	175.3	-175.8	0	112.1	C651 R652 Q653 W659 A660	C651-K655 PolarHBondContact O-N 3.47Å; C651-K655 VanDerWaalsContact O-N 3.16Å; R652-K655 PolarHBondContact O-N 3.49Å; Q653-K655 VanDerWaalsContact C-N 3.32Å; Q653-K655 PolarHBondContact O-N 3.43Å; K655-W659 WeakPolarHBondContact CA-O 3.49Å; K655-A660 VanDerWaalsContact O-CA 3.25Å; K655-A660 WeakPolarHBondContact O-CA 3.48Å
656	E	74.4	Confident	71.7	Confident	92 Å²	92	81.9 Å²	81.9	43%	0.43	42%	0.417	S	S	.	.			trans	-100	142.9	179.6	-72.9	175.8	-173.1	0	0	111.4	A627 K654 I658 W659	A627-E656 HydrophobicContact CB-CB 4.34Å; A627-E656 WeakPolarHBondContact CB-O 3.3Å; K654-E656 VanDerWaalsContact C-N 3.29Å; K654-E656 HydrophobicContact CB-CG 3.88Å; K654-E656 PolarHBondContact O-N 3.47Å; E656-I658 PolarHBondContact O-N 2.71Å; E656-W659 WeakPolarHBondContact O-CA 3.49Å; E656-W659 WeakPolarHBondContact O-CB 3.3Å; E656-W659 PolarHBondContact O-N 2.83Å
657	K	81.4	Confident	69	Low	54 Å²	54	83.9 Å²	83.9	24%	0.235	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	49.5	-112	172.6	-52.9	-174.6	-163.4	177.5	0	114.5	F578 E581 N626 A627 L628 W659 A660	F578-K657 HydrophobicContact CD1-CB 4Å; F578-K657 HydrophobicContact CD1-CG 4.37Å; F578-K657 HydrophobicContact CD2-CB 4.37Å; F578-K657 HydrophobicContact CE1-CB 3.88Å; F578-K657 HydrophobicContact CE1-CG 4.19Å; F578-K657 HydrophobicContact CE2-CB 4.27Å; F578-K657 VanDerWaalsContact CE2-O 3.24Å; F578-K657 WeakPolarHBondContact CE2-O 3.33Å; F578-K657 HydrophobicContact CG-CB 4.24Å; F578-K657 HydrophobicContact CZ-CB 4.03Å; E581-K657 WeakPolarHBondContact OE1-CD 3.18Å; E581-K657 WeakPolarHBondContact OE1-CE 3.43Å; E581-K657 IonicContact OE1-NZ 3.5Å; E581-K657 PolarHBondContact OE1-NZ 2.73Å; N626-K657 WeakPolarHBondContact O-CD 3.45Å; N626-K657 WeakPolarHBondContact O-CE 3.26Å; N626-K657 PolarHBondContact O-NZ 3.16Å; N626-K657 VanDerWaalsContact O-NZ 3.09Å; A627-K657 HydrophobicContact CB-CB 3.96Å; A627-K657 HydrophobicContact CB-CD 4.43Å; A627-K657 HydrophobicContact CB-CG 4.4Å; A627-K657 WeakPolarHBondContact O-CB 3.36Å; L628-K657 HydrophobicContact CD2-CD 3.81Å; L628-K657 HydrophobicContact CG-CD 4.33Å; K657-W659 PolarHBondContact O-N 2.89Å; K657-A660 WeakPolarHBondContact O-CB 3.33Å; K657-A660 PolarHBondContact O-N 2.88Å
658	I	77.4	Confident	66.1	Low	31 Å²	31	90.9 Å²	90.9	16%	0.159	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-61.1	-15.9	179.4	70.9	-178.3	0	0	0	112.6	P562 F578 A627 S629 K630 E656	P562-I658 HydrophobicContact CG-CG2 4.17Å; F578-I658 HydrophobicContact CB-CG2 4.11Å; F578-I658 HydrophobicContact CD2-CG2 3.77Å; F578-I658 HydrophobicContact CG-CG2 4.23Å; A627-I658 HydrophobicContact CB-CG1 4.42Å; A627-I658 VanDerWaalsContact O-CG1 3.28Å; A627-I658 WeakPolarHBondContact O-CG1 3.39Å; A627-I658 WeakPolarHBondContact O-CG2 3.46Å; A627-I658 PolarHBondContact O-N 3.01Å; S629-I658 VanDerWaalsContact C-CD1 3.49Å; S629-I658 VanDerWaalsContact O-CD1 3.31Å; S629-I658 WeakPolarHBondContact O-CD1 3.34Å; K630-I658 HydrophobicContact CG-CD1 3.79Å; E656-I658 PolarHBondContact O-N 2.71Å
659	W	76.9	Confident	63.5	Low	5 Å²	5	95.9 Å²	95.9	2%	0.019	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-101.6	0.8	175.9	-53.5	105.3	0	0	0	113.7	K630 E648 R652 K655 E656 K657 N661 Y662	K630-W659 HydrophobicContact CB-CZ2 4.43Å; K630-W659 HydrophobicContact CD-CH2 4.14Å; K630-W659 HydrophobicContact CD-CZ2 4.39Å; K630-W659 HydrophobicContact CG-CH2 4.05Å; K630-W659 HydrophobicContact CG-CZ2 3.83Å; E648-W659 HydrophobicContact CG-CH2 3.87Å; E648-W659 HydrophobicContact CG-CZ2 3.36Å; E648-W659 WeakPolarHBondContact OE1-CZ2 3.23Å; R652-W659 HydrophobicContact CB-CD2 4.31Å; R652-W659 HydrophobicContact CB-CE3 4.31Å; R652-W659 HydrophobicContact CG-CE3 4.07Å; R652-W659 HydrophobicContact CG-CZ3 4.44Å; K655-W659 WeakPolarHBondContact CA-O 3.49Å; E656-W659 WeakPolarHBondContact O-CA 3.49Å; E656-W659 WeakPolarHBondContact O-CB 3.3Å; E656-W659 PolarHBondContact O-N 2.83Å; K657-W659 PolarHBondContact O-N 2.89Å; W659-N661 PolarHBondContact O-N 3.17Å; W659-Y662 HydrophobicContact CE3-CD1 4.28Å; W659-Y662 AromaticContact CE3-CD2 3.49Å; W659-Y662 HydrophobicContact CE3-CD2 3.49Å; W659-Y662 VanDerWaalsContact CE3-CD2 3.49Å; W659-Y662 HydrophobicContact CE3-CE2 4.03Å; W659-Y662 AromaticContact CE3-CG 3.62Å; W659-Y662 HydrophobicContact CE3-CG 3.62Å; W659-Y662 AromaticContact CZ3-CD2 3.54Å; W659-Y662 HydrophobicContact CZ3-CD2 3.54Å; W659-Y662 AromaticContact CZ3-CE2 3.61Å; W659-Y662 HydrophobicContact CZ3-CE2 3.61Å; W659-Y662 HydrophobicContact CZ3-CG 4.09Å; W659-Y662 VanDerWaalsContact O-CB 3.26Å; W659-Y662 WeakPolarHBondContact O-CB 3.16Å; W659-Y662 PolarHBondContact O-N 2.91Å
660	A	71.3	Confident	60.9	Low	46 Å²	46	96.4 Å²	96.4	38%	0.38	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34	-176.8	0	0	0	0	0	113.7	K655 K657	K655-A660 VanDerWaalsContact O-CA 3.25Å; K655-A660 WeakPolarHBondContact O-CA 3.48Å; K657-A660 WeakPolarHBondContact O-CB 3.33Å; K657-A660 PolarHBondContact O-N 2.88Å
661	N	61.5	Low	58.4	Low	153 Å²	153	100.3 Å²	100.3	82%	0.818	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	19.9	177.5	-59.2	-29.2	0	0	0	112.2	W659 V663	W659-N661 PolarHBondContact O-N 3.17Å; N661-V663 PolarHBondContact O-N 3.08Å
662	Y	50	Low	55.7	Low	71 Å²	71	109.2 Å²	109.2	28%	0.278	55%	0.551	S	S	.	*			trans	-73.9	113.7	-179.8	-174.3	-98.3	0	0	0	110.3	R652 W659 E664	R652-Y662 HydrophobicContact CG-CD1 3.5Å; R652-Y662 HydrophobicContact CG-CE1 3.48Å; R652-Y662 VanDerWaalsContact CG-CE1 3.48Å; R652-Y662 HydrophobicContact CG-CG 4.28Å; R652-Y662 PolarHBondContact NH1-OH 3.2Å; W659-Y662 HydrophobicContact CE3-CD1 4.28Å; W659-Y662 AromaticContact CE3-CD2 3.49Å; W659-Y662 HydrophobicContact CE3-CD2 3.49Å; W659-Y662 VanDerWaalsContact CE3-CD2 3.49Å; W659-Y662 HydrophobicContact CE3-CE2 4.03Å; W659-Y662 AromaticContact CE3-CG 3.62Å; W659-Y662 HydrophobicContact CE3-CG 3.62Å; W659-Y662 AromaticContact CZ3-CD2 3.54Å; W659-Y662 HydrophobicContact CZ3-CD2 3.54Å; W659-Y662 AromaticContact CZ3-CE2 3.61Å; W659-Y662 HydrophobicContact CZ3-CE2 3.61Å; W659-Y662 HydrophobicContact CZ3-CG 4.09Å; W659-Y662 VanDerWaalsContact O-CB 3.26Å; W659-Y662 WeakPolarHBondContact O-CB 3.16Å; W659-Y662 PolarHBondContact O-N 2.91Å; Y662-E664 HydrophobicContact CE1-CG 4.08Å
663	V	45	Very low	53.5	Low	102 Å²	102	111.7 Å²	111.7	62%	0.618	57%	0.574	S	S	*	*			trans	-108.7	120.3	171.2	-176.9	0	0	0	0	106.5	N661 K665	N661-V663 PolarHBondContact O-N 3.08Å; V663-K665 PolarHBondContact O-N 2.99Å; V663-K665 VanDerWaalsContact O-N 3.09Å
664	E	43.7	Very low	51.2	Low	149 Å²	149	109.5 Å²	109.5	70%	0.696	58%	0.576	S	S	*	*			trans	-58.6	111.8	165.1	-102.7	175.3	178.9	0	0	107.4	Y662 P666	Y662-E664 HydrophobicContact CE1-CG 4.08Å; E664-P666 WeakPolarHBondContact O-CD 3.49Å
665	K	33.2	Very low	49	Very low	145 Å²	145	112.3 Å²	112.3	63%	0.63	59%	0.591	S	S	*	*			trans	-96.8	120.3	177.7	-76	-165.2	175.2	-152.9	0	110.6	V663 E668	V663-K665 PolarHBondContact O-N 2.99Å; V663-K665 VanDerWaalsContact O-N 3.09Å; K665-E668 WeakPolarHBondContact CE-O 3.33Å; K665-E668 PolarHBondContact NZ-O 3.19Å
666	P	39.8	Very low	47.5	Very low	115 Å²	115	113.6 Å²	113.6	75%	0.747	60%	0.599	S	S	*	*	S	Bend		-94.9	116.2	121.5	26.5	-12.6	0	0	0	108.5	E664	E664-P666 WeakPolarHBondContact O-CD 3.49Å
667	V	34.4	Very low	46.4	Very low	118 Å²	118	117.8 Å²	117.8	72%	0.715	62%	0.616	S	S	*	*	S	Bend	trans	56.2	135.7	162	-168.7	0	0	0	0	118.2
668	E	30.4	Very low	45.6	Very low	154 Å²	154	123.1 Å²	123.1	72%	0.72	64%	0.642	S	S	*	*			trans	77.2	167.2	164.9	-80.6	165.6	-150.1	0	0	120.5	K665	K665-E668 WeakPolarHBondContact CE-O 3.33Å; K665-E668 PolarHBondContact NZ-O 3.19Å
669	E	32.5	Very low	45.7	Very low	127 Å²	127	125.5 Å²	125.5	59%	0.593	65%	0.649	S	S	*	*			trans	-62.1	170.1	-150.8	-57.3	-176.7	131.5	0	0	115.1
670	V	32	Very low	45.7	Very low	124 Å²	124	130.9 Å²	130.9	75%	0.752	68%	0.682	S	S	*	*			cis	-163.7	141.7	48	-179.3	0	0	0	0	109.3
671	V	34.7	Very low	46.1	Very low	124 Å²	124	131.1 Å²	131.1	75%	0.752	68%	0.683	S	S	*	*			trans	-88.4	126.4	170.7	-179.4	0	0	0	0	108.9	V673	V671-V673 HydrophobicContact CG1-CG2 4.1Å
672	H	29.4	Very low	47.5	Very low	193 Å²	193	129.6 Å²	129.6	89%	0.894	68%	0.675	S	S	*	*			trans	-78.2	127.1	169.1	-101.1	-23.5	0	0	0	110.4
673	V	33	Very low	49.5	Very low	126 Å²	126	129.1 Å²	129.1	76%	0.764	67%	0.673	S	S	*	*			trans	-127.8	133.2	170.8	-173.7	0	0	0	0	109.7	V671	V671-V673 HydrophobicContact CG1-CG2 4.1Å
674	S	31.7	Very low	51.9	Low	106 Å²	106	128.4 Å²	128.4	74%	0.741	66%	0.66	S	S	*	*			trans	-77.9	144	-179.7	49.9	0	0	0	0	114.1
675	E	37.4	Very low	54.4	Low	195 Å²	195	123.3 Å²	123.3	91%	0.911	64%	0.639	S	S	*	*			trans	46.1	133.5	157.6	-66.7	-171.7	169.6	0	0	122
676	E	46.9	Very low	57.5	Low	156 Å²	156	116.5 Å²	116.5	73%	0.729	61%	0.61	S	S	*	*			trans	-79.6	127.5	-157.3	-62.2	174.3	146.1	0	0	113.8	K870	E676-K870 IonicContact OE1-NZ 3.72Å; E676-K870 PolarHBondContact OE1-NZ 2.86Å
677	K	51.1	Low	60.2	Low	180 Å²	180	115.1 Å²	115.1	78%	0.783	59%	0.59	S	S	*	*			trans	-129.5	140.3	157.6	-73.4	-175.6	179.2	178.6	0	108.9
678	E	64.8	Low	63.2	Low	166 Å²	166	109.5 Å²	109.5	78%	0.776	56%	0.556	S	S	*	*			trans	-57.6	154.6	170.6	-68.4	-171.3	137.1	0	0	111.1	V680	E678-V680 PolarHBondContact O-N 2.79Å; E678-V680 VanDerWaalsContact O-N 3.14Å
679	R	80.9	Confident	66.3	Low	81 Å²	81	102.7 Å²	102.7	31%	0.306	53%	0.525	S	S	.	.			trans	-56.6	118.8	176.6	176.7	-178.9	179.7	-120.4	4.2	109.6	E832 H871 M875	R679-E832 IonicContact CZ-OE1 3.39Å; R679-E832 IonicContact CZ-OE2 3.14Å; R679-E832 IonicContact NE-OE1 3.71Å; R679-E832 PolarHBondContact NE-OE1 3.21Å; R679-E832 IonicContact NE-OE2 3.03Å; R679-E832 PolarHBondContact NE-OE2 3.03Å; R679-E832 VanDerWaalsContact NE-OE2 3.09Å; R679-E832 IonicContact NH2-OE1 2.76Å; R679-E832 PolarHBondContact NH2-OE1 2.8Å; R679-E832 IonicContact NH2-OE2 2.6Å; R679-H871 WeakPolarHBondContact CB-O 3.44Å; R679-M875 VanDerWaalsContact CZ-SD 3.55Å; R679-M875 PolarHBondContact NH1-SD 3.35Å
680	V	75.3	Confident	69.4	Low	118 Å²	118	99.3 Å²	99.3	72%	0.715	51%	0.51	S	S	*	.			trans	-103.6	107.1	170.8	-177.3	0	0	0	0	107.4	E678 N682	E678-V680 PolarHBondContact O-N 2.79Å; E678-V680 VanDerWaalsContact O-N 3.14Å; V680-N682 PolarHBondContact O-N 3.46Å
681	A	81	Confident	72.5	Confident	50 Å²	50	93.9 Å²	93.9	41%	0.413	48%	0.476	S	S	.	.			trans	-76.5	121.4	173.3	0	0	0	0	0	109.3	Y683	A681-Y683 HydrophobicContact CB-CD2 4.3Å; A681-Y683 HydrophobicContact CB-CE2 4.04Å
682	N	89.6	Confident	75.3	Confident	121 Å²	121	89.1 Å²	89.1	65%	0.647	45%	0.447	S	S	*	.			trans	-126.6	76.6	176.1	-172.9	26	0	0	0	109.5	V680 R684 N830	V680-N682 PolarHBondContact O-N 3.46Å; N682-R684 PolarHBondContact O-N 2.93Å; N682-N830 PolarHBondContact N-OD1 3.42Å; N682-N830 PolarHBondContact O-OD1 2.88Å
683	Y	93.3	Very high	78.2	Confident	61 Å²	61	86.1 Å²	86.1	24%	0.239	44%	0.438	C	S	.	.			trans	-69.8	125.2	176.7	-74	-74.7	0	0	0	110.7	A681 L828 L829 N830 Q844	A681-Y683 HydrophobicContact CB-CD2 4.3Å; A681-Y683 HydrophobicContact CB-CE2 4.04Å; Y683-L828 HydrophobicContact CD1-CB 4.11Å; Y683-L828 HydrophobicContact CG-CB 4.44Å; Y683-L829 WeakPolarHBondContact CA-O 3.43Å; Y683-N830 HydrophobicContact CD1-CB 3.5Å; Y683-N830 VanDerWaalsContact CD1-CB 3.5Å; Y683-N830 HydrophobicContact CD2-CB 4.42Å; Y683-N830 HydrophobicContact CE1-CB 3.4Å; Y683-N830 VanDerWaalsContact CE1-CB 3.4Å; Y683-N830 HydrophobicContact CE2-CB 4.38Å; Y683-N830 HydrophobicContact CG-CB 4.02Å; Y683-Q844 HydrophobicContact CD1-CG 4.34Å; Y683-Q844 HydrophobicContact CE1-CG 3.68Å; Y683-Q844 PolarHBondContact OH-NE2 2.84Å
684	R	95.1	Very high	81	Confident	88 Å²	88	83.8 Å²	83.8	33%	0.332	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.5	172.7	60.8	170.4	176.5	171.8	-5.3	111.5	N682 V686 D701 Y797 L828 L829	N682-R684 PolarHBondContact O-N 2.93Å; R684-V686 HydrophobicContact CG-CG1 4.28Å; R684-V686 PolarHBondContact O-N 3.06Å; R684-D701 IonicContact CZ-OD2 3.34Å; R684-D701 IonicContact NH1-OD2 2.71Å; R684-D701 PolarHBondContact NH1-OD2 2.86Å; R684-Y797 PolarHBondContact NH2-OH 3.35Å; R684-L828 WeakPolarHBondContact O-CA 3.43Å; R684-L829 PolarHBondContact N-O 3.42Å; R684-L829 PolarHBondContact O-N 3.16Å
685	P	95.9	Very high	83.9	Confident	41 Å²	41	78.8 Å²	78.8	27%	0.266	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.8	176.5	29.8	-34	0	0	0	110.7	V702 C827 L828	P685-V702 HydrophobicContact CB-CB 4.1Å; P685-V702 HydrophobicContact CB-CG2 4.03Å; P685-V702 HydrophobicContact CG-CB 4.25Å; P685-V702 PolarHBondContact O-N 3.38Å; P685-C827 WeakPolarHBondContact CA-O 3.48Å; P685-L828 HydrophobicContact CB-CD2 4.32Å
686	V	97.4	Very high	86.6	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.012	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.6	174.9	-60.8	0	0	0	0	109.9	R684 A699 Q700 Q826 C827 L829	R684-V686 HydrophobicContact CG-CG1 4.28Å; R684-V686 PolarHBondContact O-N 3.06Å; V686-A699 HydrophobicContact CB-CB 4.04Å; V686-A699 HydrophobicContact CG2-CB 4.11Å; V686-Q700 CarbonylContact C-O 3.54Å; V686-Q700 VanDerWaalsContact CA-O 3.23Å; V686-Q700 WeakPolarHBondContact CA-O 3.22Å; V686-Q700 WeakPolarHBondContact CB-O 3.31Å; V686-Q826 CarbonylContact O-C 3.59Å; V686-Q826 WeakPolarHBondContact O-CA 3.31Å; V686-C827 HydrophobicContact CG2-CB 4.47Å; V686-C827 PolarHBondContact N-O 3Å; V686-C827 PolarHBondContact O-N 3Å; V686-L829 HydrophobicContact CB-CB 4.43Å; V686-L829 HydrophobicContact CG1-CB 3.98Å; V686-L829 HydrophobicContact CG1-CD1 4.43Å; V686-L829 HydrophobicContact CG2-CB 3.55Å; V686-L829 HydrophobicContact CG2-CD1 4.03Å; V686-L829 HydrophobicContact CG2-CG 4.45Å
687	Y	97.3	Very high	89	Confident	87 Å²	87	63.7 Å²	63.7	34%	0.341	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.2	172.8	-166.9	-97.4	0	0	0	109.1	T689 A699 Q700 N824 Q826	Y687-T689 HydrophobicContact CD1-CG2 3.93Å; Y687-T689 HydrophobicContact CE1-CG2 4.41Å; Y687-T689 PolarHBondContact O-N 3.03Å; Y687-A699 CarbonylContact O-C 3.5Å; Y687-A699 VanDerWaalsContact O-CA 3.23Å; Y687-A699 WeakPolarHBondContact O-CA 3.33Å; Y687-Q700 PolarHBondContact N-O 3.3Å; Y687-Q700 PolarHBondContact O-N 3.16Å; Y687-N824 PolarHBondContact OH-O 2.81Å; Y687-Q826 HydrophobicContact CD2-CB 4.32Å
688	V	97.6	Very high	91.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.2	-176.5	179.2	0	0	0	0	109	I691 F697 A699 I822 N824 S825 C827 I843	V688-I691 HydrophobicContact CG1-CD1 3.64Å; V688-F697 HydrophobicContact CG1-CD2 4.27Å; V688-A699 HydrophobicContact CG2-CB 4.38Å; V688-I822 WeakPolarHBondContact CB-O 3.48Å; V688-I822 HydrophobicContact CG1-CD1 4.32Å; V688-I822 HydrophobicContact CG1-CG1 4.5Å; V688-I822 HydrophobicContact CG2-CD1 4.43Å; V688-N824 VanDerWaalsContact O-CA 3.24Å; V688-N824 WeakPolarHBondContact O-CA 3.35Å; V688-N824 PolarHBondContact O-N 3.13Å; V688-S825 PolarHBondContact N-O 2.88Å; V688-C827 HydrophobicContact CG2-CB 4.35Å; V688-I843 HydrophobicContact CG2-CD1 3.71Å
689	T	96.6	Very high	92.8	Very high	11 Å²	11	47.6 Å²	47.6	7%	0.067	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-36.9	-171.6	42.6	0	0	0	0	113.5	Y687 Y698 Q700 Y767 Q823	Y687-T689 HydrophobicContact CD1-CG2 3.93Å; Y687-T689 HydrophobicContact CE1-CG2 4.41Å; Y687-T689 PolarHBondContact O-N 3.03Å; T689-Y698 PolarHBondContact N-O 2.91Å; T689-Y698 PolarHBondContact OG1-O 2.97Å; T689-Y698 VanDerWaalsContact OG1-O 3.08Å; T689-Q700 HydrophobicContact CG2-CG 3.91Å; T689-Y767 VanDerWaalsContact CB-O 3.32Å; T689-Y767 WeakPolarHBondContact CB-O 3.33Å; T689-Y767 HydrophobicContact CG2-CD1 4.22Å; T689-Y767 PolarHBondContact OG1-O 3.18Å; T689-Q823 PolarHBondContact O-NE2 3.47Å
690	E	96.7	Very high	93.5	Very high	56 Å²	56	44.7 Å²	44.7	26%	0.262	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	135.8	-173.4	-174.5	70.4	169	0	0	110.9	F697 Y698 N769 Q823	E690-F697 CarbonylContact O-C 3.58Å; E690-F697 WeakPolarHBondContact O-CA 3.42Å; E690-F697 WeakPolarHBondContact O-CB 3.45Å; E690-Y698 HydrophobicContact CB-CD2 4.24Å; E690-Y698 HydrophobicContact CG-CD2 4.49Å; E690-Y698 PolarHBondContact N-O 2.6Å; E690-Y698 PolarHBondContact O-N 2.99Å; E690-N769 HydrophobicContact CG-CB 4.19Å; E690-Q823 PolarHBondContact OE2-NE2 3.21Å; E690-Q823 VanDerWaalsContact OE2-NE2 3.13Å
691	I	96.6	Very high	94.4	Very high	10 Å²	10	40.8 Å²	40.8	5%	0.051	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.6	168.2	-48.1	-58.4	0	0	0	107.7	V688 F697 V815 V818 V819 I822 Q823	V688-I691 HydrophobicContact CG1-CD1 3.64Å; I691-F697 HydrophobicContact CD1-CB 3.46Å; I691-F697 VanDerWaalsContact CD1-CB 3.46Å; I691-F697 HydrophobicContact CD1-CG 4.37Å; I691-V815 HydrophobicContact CG2-CG1 4.23Å; I691-V818 HydrophobicContact CD1-CG1 3.81Å; I691-V818 HydrophobicContact CG1-CG1 4.12Å; I691-V818 HydrophobicContact CG2-CB 4.48Å; I691-V818 HydrophobicContact CG2-CG1 4.05Å; I691-V819 HydrophobicContact CB-CG2 3.74Å; I691-V819 HydrophobicContact CG1-CG2 3.93Å; I691-V819 HydrophobicContact CG2-CG2 4.16Å; I691-I822 HydrophobicContact CD1-CD1 4.21Å; I691-I822 HydrophobicContact CD1-CG1 4.23Å; I691-Q823 HydrophobicContact CG1-CB 3.99Å; I691-Q823 HydrophobicContact CG1-CG 4.21Å
692	T	94.3	Very high	95	Very high	23 Å²	23	41 Å²	41	14%	0.141	21%	0.207	C	C	.	.			trans	-100.5	157.3	-179.4	67.1	0	0	0	0	111.5	T694 L695 H696 Y698	T692-T694 PolarHBondContact O-N 3.12Å; T692-T694 PolarHBondContact OG1-OG1 3.48Å; T692-L695 PolarHBondContact O-N 3.27Å; T692-H696 WeakPolarHBondContact CB-O 3.37Å; T692-H696 HydrophobicContact CG2-CB 4.42Å; T692-H696 PolarHBondContact N-O 2.78Å; T692-H696 WeakPolarHBondContact OG1-CA 3.3Å; T692-H696 WeakPolarHBondContact OG1-CB 3.31Å; T692-H696 PolarHBondContact OG1-N 3.14Å; T692-H696 PolarHBondContact OG1-O 2.81Å; T692-Y698 HydrophobicContact CG2-CD2 4.35Å; T692-Y698 HydrophobicContact CG2-CE2 3.96Å
693	D	90.9	Very high	95.1	Very high	131 Å²	131	42.8 Å²	42.8	70%	0.701	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.5	176.9	-51.6	-22.9	0	0	0	114.1	R811	D693-R811 VanDerWaalsContact O-CD 3.31Å; D693-R811 WeakPolarHBondContact O-CD 3.49Å; D693-R811 PolarHBondContact O-NE 2.94Å; D693-R811 VanDerWaalsContact O-NE 3.08Å
694	T	90.6	Very high	95	Very high	77 Å²	77	41.6 Å²	41.6	47%	0.472	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	15.3	176.5	59.1	0	0	0	0	112.9	T692 H696	T692-T694 PolarHBondContact O-N 3.12Å; T692-T694 PolarHBondContact OG1-OG1 3.48Å; T694-H696 PolarHBondContact O-N 2.87Å
695	L	92.3	Very high	94.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.203	C	C	.	.	S	Bend	trans	62.6	17.7	-180	-148.3	72.2	0	0	0	114.9	T692 F799 I802 V804 V814 V815 V818	T692-L695 PolarHBondContact O-N 3.27Å; L695-F799 HydrophobicContact CD2-CD2 4.45Å; L695-F799 HydrophobicContact CG-CD2 4.25Å; L695-F799 HydrophobicContact CG-CE2 4.39Å; L695-I802 HydrophobicContact CD2-CD1 3.97Å; L695-V804 HydrophobicContact CB-CG1 4.27Å; L695-V804 HydrophobicContact CB-CG2 4.26Å; L695-V804 HydrophobicContact CD2-CG2 4.46Å; L695-V814 HydrophobicContact CD1-CB 4.26Å; L695-V814 HydrophobicContact CD1-CG1 3.56Å; L695-V814 HydrophobicContact CD2-CG1 3.84Å; L695-V814 HydrophobicContact CG-CG1 4.37Å; L695-V815 HydrophobicContact CD1-CB 4.5Å; L695-V815 HydrophobicContact CD1-CG2 3.68Å; L695-V818 HydrophobicContact CD1-CG2 4.2Å
696	H	95.1	Very high	94.6	Very high	33 Å²	33	38.6 Å²	38.6	15%	0.153	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	159	161.1	-66.4	-170	0	0	0	109.4	T692 T694 E796 Y797 T798	T692-H696 WeakPolarHBondContact CB-O 3.37Å; T692-H696 HydrophobicContact CG2-CB 4.42Å; T692-H696 PolarHBondContact N-O 2.78Å; T692-H696 WeakPolarHBondContact OG1-CA 3.3Å; T692-H696 WeakPolarHBondContact OG1-CB 3.31Å; T692-H696 PolarHBondContact OG1-N 3.14Å; T692-H696 PolarHBondContact OG1-O 2.81Å; T694-H696 PolarHBondContact O-N 2.87Å; H696-E796 HydrophobicContact CB-CG 4.34Å; H696-E796 IonicContact CE1-OE1 2.65Å; H696-E796 IonicContact CG-OE1 3.46Å; H696-E796 IonicContact ND1-OE1 2.66Å; H696-E796 PolarHBondContact ND1-OE1 2.84Å; H696-Y797 WeakPolarHBondContact CA-O 3.49Å; H696-Y797 WeakPolarHBondContact CB-O 3.37Å; H696-T798 PolarHBondContact CD2-OG1 3.03Å
697	F	96.9	Very high	94.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.2	175.1	62.7	-86.9	0	0	0	111.9	V688 E690 I691 E796 Y797 F799 L829 V841 I843	V688-F697 HydrophobicContact CG1-CD2 4.27Å; E690-F697 CarbonylContact O-C 3.58Å; E690-F697 WeakPolarHBondContact O-CA 3.42Å; E690-F697 WeakPolarHBondContact O-CB 3.45Å; I691-F697 HydrophobicContact CD1-CB 3.46Å; I691-F697 VanDerWaalsContact CD1-CB 3.46Å; I691-F697 HydrophobicContact CD1-CG 4.37Å; F697-E796 CarbonylContact O-C 3.5Å; F697-E796 WeakPolarHBondContact O-CA 3.45Å; F697-Y797 HydrophobicContact CE2-CD2 4.13Å; F697-Y797 HydrophobicContact CE2-CG 4.34Å; F697-Y797 HydrophobicContact CZ-CG 4.5Å; F697-Y797 PolarHBondContact N-O 2.93Å; F697-Y797 PolarHBondContact O-N 3.08Å; F697-F799 HydrophobicContact CD1-CD2 4.23Å; F697-F799 AromaticContact CD1-CE2 3.84Å; F697-F799 HydrophobicContact CD1-CE2 3.84Å; F697-F799 HydrophobicContact CD1-CZ 4.32Å; F697-F799 HydrophobicContact CE1-CD2 4.06Å; F697-F799 AromaticContact CE1-CE2 3.9Å; F697-F799 HydrophobicContact CE1-CE2 3.9Å; F697-F799 HydrophobicContact CE1-CG 4.43Å; F697-F799 HydrophobicContact CE1-CZ 4.14Å; F697-L829 HydrophobicContact CE2-CD1 4.03Å; F697-L829 HydrophobicContact CZ-CD1 4.29Å; F697-V841 HydrophobicContact CE1-CG2 4.04Å; F697-V841 HydrophobicContact CE2-CG2 4.46Å; F697-V841 HydrophobicContact CZ-CG2 3.45Å; F697-V841 VanDerWaalsContact CZ-CG2 3.45Å; F697-I843 HydrophobicContact CE2-CD1 3.98Å; F697-I843 HydrophobicContact CZ-CD1 4.11Å
698	Y	97.8	Very high	94.3	Very high	6 Å²	6	40 Å²	40	2%	0.024	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.5	173.4	-67.5	-92.3	0	0	0	110	T689 E690 T692 F763 G768 R770 A794 T795 E796	T689-Y698 PolarHBondContact N-O 2.91Å; T689-Y698 PolarHBondContact OG1-O 2.97Å; T689-Y698 VanDerWaalsContact OG1-O 3.08Å; E690-Y698 HydrophobicContact CB-CD2 4.24Å; E690-Y698 HydrophobicContact CG-CD2 4.49Å; E690-Y698 PolarHBondContact N-O 2.6Å; E690-Y698 PolarHBondContact O-N 2.99Å; T692-Y698 HydrophobicContact CG2-CD2 4.35Å; T692-Y698 HydrophobicContact CG2-CE2 3.96Å; Y698-F763 HydrophobicContact CD1-CE2 4.43Å; Y698-F763 HydrophobicContact CD1-CZ 4.24Å; Y698-F763 AromaticContact CE1-CE2 3.71Å; Y698-F763 HydrophobicContact CE1-CE2 3.71Å; Y698-F763 AromaticContact CE1-CZ 3.61Å; Y698-F763 HydrophobicContact CE1-CZ 3.61Å; Y698-F763 HydrophobicContact CE2-CE2 4.34Å; Y698-F763 AromaticContact CZ-CE2 3.67Å; Y698-G768 WeakPolarHBondContact CE2-O 3.24Å; Y698-G768 VanDerWaalsContact CG-CA 3.46Å; Y698-R770 PolarHBondContact OH-NH1 2.63Å; Y698-R770 PolarHBondContact OH-NH2 3.28Å; Y698-A794 HydrophobicContact CD1-CB 4.14Å; Y698-T795 WeakPolarHBondContact CA-O 3.07Å; Y698-E796 HydrophobicContact CD1-CB 3.9Å; Y698-E796 HydrophobicContact CD1-CG 4.38Å; Y698-E796 HydrophobicContact CE1-CB 3.45Å; Y698-E796 VanDerWaalsContact CE1-CB 3.45Å; Y698-E796 HydrophobicContact CE1-CG 3.8Å; Y698-E796 HydrophobicContact CE2-CG 4.24Å; Y698-E796 PolarHBondContact OH-OE2 3.32Å
699	A	97	Very high	94.2	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151	175.3	0	0	0	0	0	112.1	V686 Y687 V688 T795 Y797	V686-A699 HydrophobicContact CB-CB 4.04Å; V686-A699 HydrophobicContact CG2-CB 4.11Å; Y687-A699 CarbonylContact O-C 3.5Å; Y687-A699 VanDerWaalsContact O-CA 3.23Å; Y687-A699 WeakPolarHBondContact O-CA 3.33Å; V688-A699 HydrophobicContact CG2-CB 4.38Å; A699-T795 PolarHBondContact N-O 3.49Å; A699-T795 PolarHBondContact O-N 3.45Å; A699-Y797 HydrophobicContact CB-CD2 4.35Å; A699-Y797 HydrophobicContact CB-CE2 4.35Å
700	Q	97	Very high	94.1	Very high	20 Å²	20	51 Å²	51	9%	0.093	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	147.8	174.5	-63.5	173.9	-10.6	0	0	110.7	V686 Y687 T689 D766 Q793	V686-Q700 CarbonylContact C-O 3.54Å; V686-Q700 VanDerWaalsContact CA-O 3.23Å; V686-Q700 WeakPolarHBondContact CA-O 3.22Å; V686-Q700 WeakPolarHBondContact CB-O 3.31Å; Y687-Q700 PolarHBondContact N-O 3.3Å; Y687-Q700 PolarHBondContact O-N 3.16Å; T689-Q700 HydrophobicContact CG2-CG 3.91Å; Q700-D766 WeakPolarHBondContact CG-O 3.28Å; Q700-D766 PolarHBondContact NE2-O 2.85Å; Q700-Q793 WeakPolarHBondContact CA-O 3.5Å
701	D	93.3	Very high	94.1	Very high	37 Å²	37	49.1 Å²	49.1	20%	0.198	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	119.9	172.3	-163.2	-41.8	0	0	0	110.3	R684 E703 T704 G705	R684-D701 IonicContact CZ-OD2 3.34Å; R684-D701 IonicContact NH1-OD2 2.71Å; R684-D701 PolarHBondContact NH1-OD2 2.86Å; D701-E703 PolarHBondContact O-N 3.28Å; D701-E703 WeakPolarHBondContact OD1-CB 3.18Å; D701-E703 PolarHBondContact OD1-N 3.43Å; D701-T704 PolarHBondContact O-N 2.95Å; D701-T704 PolarHBondContact O-OG1 3.33Å; D701-G705 PolarHBondContact O-N 2.88Å
702	V	92.9	Very high	94	Very high	53 Å²	53	48.9 Å²	48.9	32%	0.321	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-59.8	-31.7	-176.7	173.5	0	0	0	0	111.4	P685 T704 G705 Q826	P685-V702 HydrophobicContact CB-CB 4.1Å; P685-V702 HydrophobicContact CB-CG2 4.03Å; P685-V702 HydrophobicContact CG-CB 4.25Å; P685-V702 PolarHBondContact O-N 3.38Å; V702-T704 PolarHBondContact O-N 3.14Å; V702-G705 PolarHBondContact O-N 3.43Å; V702-Q826 HydrophobicContact CG2-CG 4.05Å
703	E	92.3	Very high	94.1	Very high	160 Å²	160	54.6 Å²	54.6	75%	0.748	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-63.9	-28.7	178.9	-64	-172	172.6	0	0	112.7	D701	D701-E703 PolarHBondContact O-N 3.28Å; D701-E703 WeakPolarHBondContact OD1-CB 3.18Å; D701-E703 PolarHBondContact OD1-N 3.43Å
704	T	91.1	Very high	94.3	Very high	36 Å²	36	51.5 Å²	51.5	22%	0.221	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-98.2	-2	-179.2	58.9	0	0	0	0	113.6	D701 V702 G706 Q707 L708 Q793	D701-T704 PolarHBondContact O-N 2.95Å; D701-T704 PolarHBondContact O-OG1 3.33Å; V702-T704 PolarHBondContact O-N 3.14Å; T704-G706 PolarHBondContact O-N 3.09Å; T704-Q707 WeakPolarHBondContact O-CB 3.45Å; T704-Q707 PolarHBondContact O-N 3.23Å; T704-L708 PolarHBondContact O-N 3.42Å; T704-Q793 VanDerWaalsContact CB-NE2 3.33Å; T704-Q793 PolarHBondContact OG1-NE2 2.88Å
705	G	90.4	Very high	94.5	Very high	17 Å²	17	47.9 Å²	47.9	18%	0.175	26%	0.257	C	S	.	.	H	α-helix	trans	-55	-47.6	-177.8	0	0	0	0	0	113.2	D701 V702 Q707 L708 E709	D701-G705 PolarHBondContact O-N 2.88Å; V702-G705 PolarHBondContact O-N 3.43Å; G705-Q707 PolarHBondContact O-N 3.37Å; G705-L708 WeakPolarHBondContact O-CB 3.45Å; G705-L708 PolarHBondContact O-N 2.91Å; G705-L708 VanDerWaalsContact O-N 3.07Å; G705-E709 PolarHBondContact O-N 3.21Å
706	G	92.3	Very high	94.7	Very high	49 Å²	49	51.1 Å²	51.1	51%	0.505	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-26.1	178.6	0	0	0	0	0	114.3	T704 N710	T704-G706 PolarHBondContact O-N 3.09Å; G706-N710 WeakPolarHBondContact O-CB 3.49Å; G706-N710 PolarHBondContact O-N 3.39Å; G706-N710 VanDerWaalsContact O-N 3.17Å
707	Q	93.6	Very high	94.6	Very high	112 Å²	112	52.4 Å²	52.4	52%	0.523	29%	0.286	S	S	.	.	H	α-helix	trans	-74	-39.1	174.1	-58.7	179.5	18.5	0	0	111.1	T704 G705 L711 L790	T704-Q707 WeakPolarHBondContact O-CB 3.45Å; T704-Q707 PolarHBondContact O-N 3.23Å; G705-Q707 PolarHBondContact O-N 3.37Å; Q707-L711 WeakPolarHBondContact O-CB 3.28Å; Q707-L711 PolarHBondContact O-N 2.54Å; Q707-L790 HydrophobicContact CB-CD1 3.9Å
708	L	95.3	Very high	94.4	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-44	174.4	178.7	58.3	0	0	0	111.1	T704 G705 L711 M712 D766 L790 Q793	T704-L708 PolarHBondContact O-N 3.42Å; G705-L708 WeakPolarHBondContact O-CB 3.45Å; G705-L708 PolarHBondContact O-N 2.91Å; G705-L708 VanDerWaalsContact O-N 3.07Å; L708-L711 PolarHBondContact O-N 3.32Å; L708-M712 HydrophobicContact CD1-CE 3.47Å; L708-M712 VanDerWaalsContact CD1-CE 3.47Å; L708-M712 HydrophobicContact CD1-CG 3.96Å; L708-M712 HydrophobicContact CG-CG 4.37Å; L708-M712 WeakPolarHBondContact O-CB 3.5Å; L708-M712 VanDerWaalsContact O-CG 3.26Å; L708-M712 WeakPolarHBondContact O-CG 3.33Å; L708-M712 PolarHBondContact O-N 3.19Å; L708-D766 HydrophobicContact CD1-CB 3.96Å; L708-D766 HydrophobicContact CD2-CB 4.19Å; L708-L790 HydrophobicContact CB-CD2 4.22Å; L708-L790 HydrophobicContact CD1-CD2 4.23Å; L708-Q793 HydrophobicContact CB-CG 4.23Å; L708-Q793 HydrophobicContact CD1-CG 3.98Å; L708-Q793 HydrophobicContact CD2-CB 3.96Å; L708-Q793 HydrophobicContact CD2-CG 4.05Å; L708-Q793 HydrophobicContact CG-CG 4.3Å
709	E	94.4	Very high	94	Very high	143 Å²	143	56.8 Å²	56.8	67%	0.668	31%	0.307	S	S	*	.	H	α-helix	trans	-57.5	-50.5	176.1	-73	174.6	179.8	0	0	111.6	G705 L711 M712 E713	G705-E709 PolarHBondContact O-N 3.21Å; E709-L711 PolarHBondContact O-N 2.76Å; E709-M712 PolarHBondContact O-N 2.81Å; E709-E713 WeakPolarHBondContact O-CB 3.46Å; E709-E713 PolarHBondContact O-N 3.24Å
710	N	95	Very high	93.8	Very high	99 Å²	99	60.3 Å²	60.3	53%	0.529	34%	0.336	S	S	.	.	H	α-helix	trans	-61.9	-42.4	177.9	-173.3	-31.2	0	0	0	112	G706 M712 E713 T714	G706-N710 WeakPolarHBondContact O-CB 3.49Å; G706-N710 PolarHBondContact O-N 3.39Å; G706-N710 VanDerWaalsContact O-N 3.17Å; N710-M712 PolarHBondContact O-N 3.14Å; N710-E713 PolarHBondContact O-N 2.79Å; N710-T714 WeakPolarHBondContact O-CB 3.42Å; N710-T714 PolarHBondContact O-N 2.84Å; N710-T714 PolarHBondContact O-OG1 3.26Å; N710-T714 PolarHBondContact OD1-OG1 3.42Å
711	L	96.2	Very high	93.5	Very high	18 Å²	18	62.6 Å²	62.6	9%	0.094	36%	0.359	C	S	.	.	H	α-helix	trans	-60.2	-46.8	175.5	-172.1	81.8	0	0	0	111	Q707 L708 E709 M715 F785 L790	Q707-L711 WeakPolarHBondContact O-CB 3.28Å; Q707-L711 PolarHBondContact O-N 2.54Å; L708-L711 PolarHBondContact O-N 3.32Å; E709-L711 PolarHBondContact O-N 2.76Å; L711-M715 WeakPolarHBondContact O-CB 3.44Å; L711-M715 PolarHBondContact O-N 2.85Å; L711-F785 HydrophobicContact CD1-CD1 3.82Å; L711-F785 HydrophobicContact CG-CD1 4.34Å; L711-L790 HydrophobicContact CB-CD2 4.16Å; L711-L790 HydrophobicContact CD2-CB 3.96Å; L711-L790 HydrophobicContact CD2-CD2 3.72Å; L711-L790 HydrophobicContact CD2-CG 4.47Å; L711-L790 HydrophobicContact CG-CD2 4.48Å
712	M	95.9	Very high	93.3	Very high	5 Å²	5	67.6 Å²	67.6	3%	0.025	38%	0.381	C	S	.	.	H	α-helix	trans	-65.2	-42.7	-179.6	-71.1	-64.6	165.7	0	0	111.4	L708 E709 N710 M715 R716 Y747 R748 D766 Y767	L708-M712 HydrophobicContact CD1-CE 3.47Å; L708-M712 VanDerWaalsContact CD1-CE 3.47Å; L708-M712 HydrophobicContact CD1-CG 3.96Å; L708-M712 HydrophobicContact CG-CG 4.37Å; L708-M712 WeakPolarHBondContact O-CB 3.5Å; L708-M712 VanDerWaalsContact O-CG 3.26Å; L708-M712 WeakPolarHBondContact O-CG 3.33Å; L708-M712 PolarHBondContact O-N 3.19Å; E709-M712 PolarHBondContact O-N 2.81Å; N710-M712 PolarHBondContact O-N 3.14Å; M712-M715 PolarHBondContact O-N 3.21Å; M712-M715 HydrophobicContact SD-CE 3.48Å; M712-M715 WeakPolarHBondContact SD-CE 3.3Å; M712-R716 VanDerWaalsContact O-CB 3.27Å; M712-R716 WeakPolarHBondContact O-CB 3.42Å; M712-R716 VanDerWaalsContact O-CD 3.31Å; M712-R716 WeakPolarHBondContact O-CD 3.04Å; M712-R716 WeakPolarHBondContact O-CG 3.09Å; M712-R716 PolarHBondContact O-N 2.9Å; M712-Y747 HydrophobicContact CE-CD1 4.38Å; M712-Y747 HydrophobicContact SD-CD1 4.19Å; M712-R748 HydrophobicContact CE-CG 4.24Å; M712-D766 HydrophobicContact CE-CB 4.19Å; M712-D766 WeakPolarHBondContact CE-OD2 3.35Å; M712-Y767 HydrophobicContact CE-CE2 4.22Å
713	E	95	Very high	93	Very high	142 Å²	142	69.8 Å²	69.8	66%	0.664	40%	0.396	S	S	*	.	H	α-helix	trans	-60.7	-51.2	175.9	-174	177.8	-167.4	0	0	111.4	E709 N710 M715 R716 A717	E709-E713 WeakPolarHBondContact O-CB 3.46Å; E709-E713 PolarHBondContact O-N 3.24Å; N710-E713 PolarHBondContact O-N 2.79Å; E713-M715 PolarHBondContact O-N 3.24Å; E713-R716 PolarHBondContact O-N 3.05Å; E713-A717 WeakPolarHBondContact O-CB 3.4Å; E713-A717 PolarHBondContact O-N 3.4Å
714	T	95	Very high	92.6	Very high	67 Å²	67	64.3 Å²	64.3	41%	0.411	37%	0.374	S	S	.	.	H	α-helix	trans	-62.8	-43.3	179.4	-56.5	0	0	0	0	111.5	N710 A717 E718 F785	N710-T714 WeakPolarHBondContact O-CB 3.42Å; N710-T714 PolarHBondContact O-N 2.84Å; N710-T714 PolarHBondContact O-OG1 3.26Å; N710-T714 PolarHBondContact OD1-OG1 3.42Å; T714-A717 PolarHBondContact O-N 3.17Å; T714-E718 PolarHBondContact O-N 3.06Å; T714-F785 HydrophobicContact CG2-CE1 3.96Å; T714-F785 HydrophobicContact CG2-CZ 4.31Å
715	M	96.1	Very high	92.4	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-63.4	-46.6	178.8	-179	-174.9	76	0	0	111.6	L711 M712 E713 E718 I719 L738 W746 R748 F785	L711-M715 WeakPolarHBondContact O-CB 3.44Å; L711-M715 PolarHBondContact O-N 2.85Å; M712-M715 PolarHBondContact O-N 3.21Å; M712-M715 HydrophobicContact SD-CE 3.48Å; M712-M715 WeakPolarHBondContact SD-CE 3.3Å; E713-M715 PolarHBondContact O-N 3.24Å; M715-E718 PolarHBondContact O-N 3.47Å; M715-I719 HydrophobicContact CG-CD1 3.87Å; M715-I719 WeakPolarHBondContact O-CD1 3.19Å; M715-I719 VanDerWaalsContact O-CG1 3.22Å; M715-I719 WeakPolarHBondContact O-CG1 3.28Å; M715-I719 PolarHBondContact O-N 3.18Å; M715-L738 HydrophobicContact CE-CD2 4.43Å; M715-L738 HydrophobicContact CG-CD1 4.38Å; M715-L738 HydrophobicContact SD-CD1 4.26Å; M715-L738 HydrophobicContact SD-CD2 3.45Å; M715-L738 WeakPolarHBondContact SD-CD2 3.27Å; M715-L738 HydrophobicContact SD-CG 4.49Å; M715-W746 HydrophobicContact CE-CB 4.43Å; M715-W746 WeakPolarHBondContact CE-O 3.42Å; M715-R748 HydrophobicContact SD-CG 3.91Å; M715-F785 HydrophobicContact CB-CD1 3.74Å; M715-F785 HydrophobicContact CB-CD2 4.2Å; M715-F785 HydrophobicContact CB-CE1 3.8Å; M715-F785 HydrophobicContact CB-CE2 4.25Å; M715-F785 HydrophobicContact CB-CG 3.96Å; M715-F785 HydrophobicContact CB-CZ 4.05Å; M715-F785 HydrophobicContact CG-CB 4.43Å; M715-F785 HydrophobicContact CG-CD1 4.2Å; M715-F785 HydrophobicContact CG-CD2 3.85Å; M715-F785 HydrophobicContact CG-CE1 4.49Å; M715-F785 HydrophobicContact CG-CE2 4.16Å; M715-F785 HydrophobicContact CG-CG 3.88Å; M715-F785 HydrophobicContact CG-CZ 4.47Å; M715-F785 HydrophobicContact SD-CB 4.32Å; M715-F785 HydrophobicContact SD-CG 4.4Å
716	R	95.2	Very high	91.9	Very high	69 Å²	69	74 Å²	74	26%	0.26	42%	0.419	S	S	.	.	H	α-helix	trans	-65.7	-39.3	178.9	-70.7	165.2	-173.8	-179.5	-2.4	111.4	M712 E713 I719 A720 E745 W746 Y747	M712-R716 VanDerWaalsContact O-CB 3.27Å; M712-R716 WeakPolarHBondContact O-CB 3.42Å; M712-R716 VanDerWaalsContact O-CD 3.31Å; M712-R716 WeakPolarHBondContact O-CD 3.04Å; M712-R716 WeakPolarHBondContact O-CG 3.09Å; M712-R716 PolarHBondContact O-N 2.9Å; E713-R716 PolarHBondContact O-N 3.05Å; R716-I719 PolarHBondContact O-N 2.73Å; R716-A720 WeakPolarHBondContact O-CB 3.49Å; R716-A720 PolarHBondContact O-N 2.77Å; R716-E745 WeakPolarHBondContact CD-OE2 3.26Å; R716-E745 IonicContact NE-OE2 2.69Å; R716-W746 PolarHBondContact NE-O 2.94Å; R716-Y747 PolarHBondContact NH2-OH 2.74Å
717	A	93.5	Very high	91	Very high	61 Å²	61	73.6 Å²	73.6	50%	0.504	42%	0.415	S	S	.	.	H	α-helix	trans	-61.9	-42.6	173.8	0	0	0	0	0	112.3	E713 T714 A720 A721	E713-A717 WeakPolarHBondContact O-CB 3.4Å; E713-A717 PolarHBondContact O-N 3.4Å; T714-A717 PolarHBondContact O-N 3.17Å; A717-A720 PolarHBondContact O-N 3.33Å; A717-A721 WeakPolarHBondContact O-CB 3.47Å; A717-A721 PolarHBondContact O-N 2.78Å
718	E	92.4	Very high	90.3	Very high	79 Å²	79	72 Å²	72	37%	0.369	42%	0.417	S	S	.	.	H	α-helix	trans	-65.1	-42	177.3	-172.4	174.6	140.2	0	0	111.9	T714 M715 A721 H722 F785	T714-E718 PolarHBondContact O-N 3.06Å; M715-E718 PolarHBondContact O-N 3.47Å; E718-A721 PolarHBondContact O-N 2.86Å; E718-H722 PolarHBondContact O-N 3.39Å; E718-H722 PolarHBondContact O-ND1 3.49Å; E718-F785 HydrophobicContact CB-CE2 4.17Å; E718-F785 HydrophobicContact CB-CZ 4.03Å; E718-F785 HydrophobicContact CG-CE2 4.35Å; E718-F785 HydrophobicContact CG-CZ 4.5Å; E718-F785 VanDerWaalsContact OE2-CE2 3.25Å; E718-F785 WeakPolarHBondContact OE2-CE2 3.47Å; E718-F785 WeakPolarHBondContact OE2-CZ 3.29Å
719	I	91.1	Very high	89.8	Confident	18 Å²	18	73.3 Å²	73.3	9%	0.092	42%	0.421	C	S	.	.	H	α-helix	trans	-66.7	-38.1	176.7	-66.7	164.3	0	0	0	111.5	M715 R716 A721 H722 P723 L738 W746	M715-I719 HydrophobicContact CG-CD1 3.87Å; M715-I719 WeakPolarHBondContact O-CD1 3.19Å; M715-I719 VanDerWaalsContact O-CG1 3.22Å; M715-I719 WeakPolarHBondContact O-CG1 3.28Å; M715-I719 PolarHBondContact O-N 3.18Å; R716-I719 PolarHBondContact O-N 2.73Å; I719-A721 VanDerWaalsContact C-N 3.35Å; I719-H722 CarbonylContact O-C 3.59Å; I719-H722 PolarHBondContact O-N 2.92Å; I719-P723 VanDerWaalsContact O-CA 3.26Å; I719-P723 WeakPolarHBondContact O-CA 3.33Å; I719-P723 VanDerWaalsContact O-N 3.08Å; I719-L738 HydrophobicContact CD1-CD1 3.54Å; I719-L738 HydrophobicContact CG1-CD1 4.14Å; I719-W746 HydrophobicContact CD1-CB 3.58Å; I719-W746 HydrophobicContact CD1-CD2 4.33Å; I719-W746 HydrophobicContact CD1-CG 3.76Å; I719-W746 HydrophobicContact CG2-CD2 4.4Å; I719-W746 HydrophobicContact CG2-CG 4.11Å
720	A	90.9	Very high	89.3	Confident	77 Å²	77	70.8 Å²	70.8	64%	0.636	42%	0.42	S	S	*	.	H	α-helix	trans	-65.7	-39.2	175.9	0	0	0	0	0	111.7	R716 A717	R716-A720 WeakPolarHBondContact O-CB 3.49Å; R716-A720 PolarHBondContact O-N 2.77Å; A717-A720 PolarHBondContact O-N 3.33Å
721	A	91.8	Very high	88.8	Confident	68 Å²	68	67 Å²	67	56%	0.562	40%	0.402	S	S	*	.	H	α-helix	trans	-70.5	-32.7	174.9	0	0	0	0	0	112.8	A717 E718 I719	A717-A721 WeakPolarHBondContact O-CB 3.47Å; A717-A721 PolarHBondContact O-N 2.78Å; E718-A721 PolarHBondContact O-N 2.86Å; I719-A721 VanDerWaalsContact C-N 3.35Å
722	H	88.1	Confident	88.2	Confident	142 Å²	142	73.7 Å²	73.7	66%	0.657	43%	0.426	S	S	*	.	S	Bend	trans	-132.2	77.2	-178.8	-52.8	92.6	0	0	0	111.3	E718 I719	E718-H722 PolarHBondContact O-N 3.39Å; E718-H722 PolarHBondContact O-ND1 3.49Å; I719-H722 CarbonylContact O-C 3.59Å; I719-H722 PolarHBondContact O-N 2.92Å
723	P	87.3	Confident	87.8	Confident	98 Å²	98	82.9 Å²	82.9	64%	0.636	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-60.2	133.5	-176.4	-25.6	35.2	0	0	0	112.2	I719	I719-P723 VanDerWaalsContact O-CA 3.26Å; I719-P723 WeakPolarHBondContact O-CA 3.33Å; I719-P723 VanDerWaalsContact O-N 3.08Å
724	P	85.1	Confident	87.2	Confident	45 Å²	45	77.4 Å²	77.4	29%	0.292	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-66.1	140.2	177.4	26.6	-34.1	0	0	0	110.6	E726 W746 A779	P724-E726 PolarHBondContact O-N 3.12Å; P724-W746 HydrophobicContact CG-CH2 3.83Å; P724-W746 HydrophobicContact CG-CZ2 3.63Å; P724-A779 HydrophobicContact CB-CB 3.54Å; P724-A779 HydrophobicContact CG-CB 3.8Å
725	V	84.9	Confident	86.8	Confident	106 Å²	106	76 Å²	76	64%	0.642	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-70.6	117	175.9	-179.5	0	0	0	0	109.1	G727 S728	V725-G727 PolarHBondContact O-N 3.26Å; V725-S728 VanDerWaalsContact O-CB 3.29Å; V725-S728 WeakPolarHBondContact O-CB 3.1Å; V725-S728 PolarHBondContact O-N 2.98Å; V725-S728 VanDerWaalsContact O-N 3.14Å; V725-S728 PolarHBondContact O-OG 2.85Å
726	E	81.5	Confident	86.7	Confident	151 Å²	151	80.7 Å²	80.7	71%	0.706	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	132.7	-178.2	-64.4	-172.4	169.9	0	0	111.8	P724 S728 T776	P724-E726 PolarHBondContact O-N 3.12Å; E726-S728 PolarHBondContact O-N 3Å; E726-S728 VanDerWaalsContact O-N 3.16Å; E726-T776 HydrophobicContact CB-CG2 4.44Å
727	G	72.6	Confident	86.7	Confident	41 Å²	41	77.4 Å²	77.4	42%	0.423	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	-4.7	178.3	0	0	0	0	0	115.5	V725 Y729	V725-G727 PolarHBondContact O-N 3.26Å; G727-Y729 VanDerWaalsContact C-N 3.3Å; G727-Y729 PolarHBondContact O-N 3.03Å
728	S	78.9	Confident	86.8	Confident	79 Å²	79	74.6 Å²	74.6	55%	0.552	41%	0.414	S	S	*	.			trans	-72.3	-23.4	176.2	69.4	0	0	0	0	113.3	V725 E726 S730	V725-S728 VanDerWaalsContact O-CB 3.29Å; V725-S728 WeakPolarHBondContact O-CB 3.1Å; V725-S728 PolarHBondContact O-N 2.98Å; V725-S728 VanDerWaalsContact O-N 3.14Å; V725-S728 PolarHBondContact O-OG 2.85Å; E726-S728 PolarHBondContact O-N 3Å; E726-S728 VanDerWaalsContact O-N 3.16Å; S728-S730 PolarHBondContact O-N 3.39Å
729	Y	85.6	Confident	87	Confident	31 Å²	31	70.8 Å²	70.8	12%	0.122	40%	0.397	C	S	.	.			trans	-83.8	112.3	179.1	-179.6	-110.9	0	0	0	111.8	G727 A731 D735 C737 L778 A780	G727-Y729 VanDerWaalsContact C-N 3.3Å; G727-Y729 PolarHBondContact O-N 3.03Å; Y729-A731 HydrophobicContact CD1-CB 4.13Å; Y729-A731 HydrophobicContact CE1-CB 3.68Å; Y729-A731 PolarHBondContact O-N 3.49Å; Y729-D735 WeakPolarHBondContact OH-CB 3.36Å; Y729-C737 HydrophobicContact CE1-CB 3.69Å; Y729-C737 WeakPolarHBondContact OH-CB 3.36Å; Y729-L778 HydrophobicContact CD1-CB 3.52Å; Y729-L778 HydrophobicContact CD1-CD1 4.4Å; Y729-L778 HydrophobicContact CE1-CB 4.02Å; Y729-L778 HydrophobicContact CE1-CD1 4.36Å; Y729-A780 HydrophobicContact CD2-CB 3.96Å; Y729-A780 HydrophobicContact CE2-CB 4.19Å
730	S	84.3	Confident	87.2	Confident	91 Å²	91	73.4 Å²	73.4	64%	0.636	41%	0.407	S	S	*	.			trans	-88.2	87.3	174.8	-63.6	0	0	0	0	111.3	S728	S728-S730 PolarHBondContact O-N 3.39Å
731	A	83.7	Confident	87.3	Confident	18 Å²	18	72.7 Å²	72.7	15%	0.149	39%	0.39	C	S	.	.			trans	-59.4	137.4	179.4	0	0	0	0	0	112.7	Y729 V751 V754 V760 L778	Y729-A731 HydrophobicContact CD1-CB 4.13Å; Y729-A731 HydrophobicContact CE1-CB 3.68Å; Y729-A731 PolarHBondContact O-N 3.49Å; A731-V751 HydrophobicContact CB-CG2 4.12Å; A731-V754 HydrophobicContact CB-CG2 4.3Å; A731-V760 HydrophobicContact CB-CG1 4.24Å; A731-L778 HydrophobicContact CB-CD1 3.83Å
732	R	84.4	Confident	87.2	Confident	160 Å²	160	73.1 Å²	73.1	60%	0.604	39%	0.393	S	S	*	.			trans	-129.6	150.3	168.3	-50.2	-177.5	-160.8	-132.9	-2.7	110.5	G734 D735 V751	R732-G734 PolarHBondContact O-N 2.86Å; R732-D735 WeakPolarHBondContact CB-OD2 3.2Å; R732-D735 PolarHBondContact N-OD2 2.86Å; R732-D735 VanDerWaalsContact N-OD2 3.16Å; R732-D735 VanDerWaalsContact O-CB 3.29Å; R732-D735 WeakPolarHBondContact O-CB 3.38Å; R732-D735 VanDerWaalsContact O-CG 3.28Å; R732-D735 PolarHBondContact O-N 2.89Å; R732-V751 WeakPolarHBondContact O-CB 3.32Å
733	R	85.9	Confident	87.4	Confident	197 Å²	197	70.2 Å²	70.2	74%	0.743	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	128.3	173.4	-179.3	167.8	-170.1	-155.8	-0.9	111.1	E752	R733-E752 VanDerWaalsContact CD-O 3.28Å; R733-E752 WeakPolarHBondContact CD-O 3.29Å; R733-E752 VanDerWaalsContact CG-O 3.24Å; R733-E752 WeakPolarHBondContact CG-O 3.32Å; R733-E752 PolarHBondContact NE-O 2.92Å
734	G	82.3	Confident	87.5	Confident	27 Å²	27	67 Å²	67	28%	0.278	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-6.2	-179.2	0	0	0	0	0	115.6	R732 V751	R732-G734 PolarHBondContact O-N 2.86Å; G734-V751 WeakPolarHBondContact CA-O 3.45Å; G734-V751 PolarHBondContact N-O 2.91Å
735	D	87.8	Confident	87.9	Confident	38 Å²	38	68.7 Å²	68.7	20%	0.203	37%	0.371	C	S	.	.			trans	-71.4	139.3	178.6	-67.3	-8.9	0	0	0	110.8	K604 Y729 R732 R750 V751	K604-D735 IonicContact NZ-OD1 3.81Å; K604-D735 PolarHBondContact NZ-OD1 3.39Å; Y729-D735 WeakPolarHBondContact OH-CB 3.36Å; R732-D735 WeakPolarHBondContact CB-OD2 3.2Å; R732-D735 PolarHBondContact N-OD2 2.86Å; R732-D735 VanDerWaalsContact N-OD2 3.16Å; R732-D735 VanDerWaalsContact O-CB 3.29Å; R732-D735 WeakPolarHBondContact O-CB 3.38Å; R732-D735 VanDerWaalsContact O-CG 3.28Å; R732-D735 PolarHBondContact O-N 2.89Å; D735-R750 WeakPolarHBondContact O-CA 3.46Å; D735-V751 PolarHBondContact O-N 2.81Å
736	Y	94.1	Very high	88.4	Confident	98 Å²	98	65 Å²	65	38%	0.384	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.6	165.9	-70.6	-81.9	0	0	0	108.7	A749 R750 I765 T787	Y736-A749 WeakPolarHBondContact CA-O 3.34Å; Y736-R750 HydrophobicContact CD1-CB 4.22Å; Y736-R750 HydrophobicContact CE1-CB 4.26Å; Y736-R750 HydrophobicContact CE1-CG 4.48Å; Y736-I765 HydrophobicContact CD1-CD1 4.16Å; Y736-I765 HydrophobicContact CD1-CG2 4.34Å; Y736-I765 HydrophobicContact CE1-CD1 4.23Å; Y736-I765 HydrophobicContact CE1-CG2 4.03Å; Y736-T787 HydrophobicContact CD1-CG2 4Å; Y736-T787 HydrophobicContact CE1-CG2 3.78Å
737	C	94.6	Very high	89.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	173	-175.8	64.6	0	0	0	0	110.7	Y729 A749 A779 M781	Y729-C737 HydrophobicContact CE1-CB 3.69Å; Y729-C737 WeakPolarHBondContact OH-CB 3.36Å; C737-A749 PolarHBondContact N-O 2.92Å; C737-A749 PolarHBondContact O-N 3.37Å; C737-A749 VanDerWaalsContact O-O 3.09Å; C737-A779 WeakPolarHBondContact CA-O 3.3Å; C737-A779 WeakPolarHBondContact CB-O 3.3Å; C737-M781 WeakPolarHBondContact O-CE 3.15Å
738	L	95.9	Very high	90.3	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.1	161.8	-54	-178.8	0	0	0	107.9	M715 I719 W746 Y747 R748 L778 A779 M781	M715-L738 HydrophobicContact CE-CD2 4.43Å; M715-L738 HydrophobicContact CG-CD1 4.38Å; M715-L738 HydrophobicContact SD-CD1 4.26Å; M715-L738 HydrophobicContact SD-CD2 3.45Å; M715-L738 WeakPolarHBondContact SD-CD2 3.27Å; M715-L738 HydrophobicContact SD-CG 4.49Å; I719-L738 HydrophobicContact CD1-CD1 3.54Å; I719-L738 HydrophobicContact CG1-CD1 4.14Å; L738-W746 HydrophobicContact CB-CE3 3.82Å; L738-W746 HydrophobicContact CB-CZ3 4.27Å; L738-Y747 CarbonylContact C-O 3.53Å; L738-Y747 VanDerWaalsContact CA-O 3.27Å; L738-Y747 WeakPolarHBondContact CA-O 3.46Å; L738-R748 HydrophobicContact CD2-CG 4.13Å; L738-L778 CarbonylContact O-C 3.54Å; L738-L778 VanDerWaalsContact O-CA 3.32Å; L738-L778 WeakPolarHBondContact O-CA 3.36Å; L738-A779 HydrophobicContact CB-CB 4.29Å; L738-A779 PolarHBondContact N-O 3.34Å; L738-A779 PolarHBondContact O-N 3.17Å; L738-M781 HydrophobicContact CD2-CB 4.27Å; L738-M781 HydrophobicContact CD2-CE 4.19Å; L738-M781 HydrophobicContact CD2-CG 3.94Å; L738-M781 HydrophobicContact CG-CB 4.28Å; L738-M781 HydrophobicContact CG-CG 4.43Å
739	A	96.1	Very high	91.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.2	176.4	0	0	0	0	0	109.5	Y747 A749 V762 Y764 R777 L778	A739-Y747 PolarHBondContact N-O 2.82Å; A739-Y747 PolarHBondContact O-N 3.46Å; A739-A749 HydrophobicContact CB-CB 3.69Å; A739-V762 HydrophobicContact CB-CG2 4.24Å; A739-Y764 HydrophobicContact CB-CE1 3.72Å; A739-R777 WeakPolarHBondContact CA-O 3.37Å; A739-L778 HydrophobicContact CB-CD2 3.59Å
740	K	95.1	Very high	91.7	Very high	73 Å²	73	57.4 Å²	57.4	32%	0.317	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	116	176.1	-160.7	176.1	-169.9	177.2	0	108.8	G744 E745 W746 R777	K740-G744 WeakPolarHBondContact CE-O 3.36Å; K740-E745 CarbonylContact C-O 3.55Å; K740-E745 VanDerWaalsContact CA-O 3.31Å; K740-E745 WeakPolarHBondContact CA-O 3.17Å; K740-W746 HydrophobicContact CB-CD2 3.96Å; K740-W746 HydrophobicContact CB-CE3 3.98Å; K740-W746 HydrophobicContact CB-CH2 4.14Å; K740-W746 HydrophobicContact CB-CZ2 4.11Å; K740-W746 HydrophobicContact CB-CZ3 4.07Å; K740-W746 HydrophobicContact CD-CZ2 4.09Å; K740-W746 HydrophobicContact CG-CD2 4.26Å; K740-W746 HydrophobicContact CG-CZ2 4.45Å; K740-R777 VanDerWaalsContact C-NH2 3.31Å; K740-R777 HydrophobicContact CB-CB 4.15Å; K740-R777 PolarHBondContact N-O 2.93Å; K740-R777 VanDerWaalsContact O-CZ 3.29Å; K740-R777 PolarHBondContact O-NE 3.29Å; K740-R777 PolarHBondContact O-NH2 3.16Å
741	F	94.4	Very high	92	Very high	62 Å²	62	53 Å²	53	27%	0.272	26%	0.255	S	S	.	.			trans	-83.1	168.4	-178.7	-174.8	-119.4	0	0	0	111.7	D743 G744 E745 Y747 Y764 N769 E771 R777	F741-D743 WeakPolarHBondContact CB-OD1 3.28Å; F741-D743 HydrophobicContact CD1-CB 4.24Å; F741-D743 PolarHBondContact O-N 2.95Å; F741-D743 VanDerWaalsContact O-N 3.13Å; F741-G744 PolarHBondContact O-N 3.49Å; F741-E745 PolarHBondContact N-O 2.7Å; F741-Y747 HydrophobicContact CB-CD2 3.52Å; F741-Y747 HydrophobicContact CB-CE2 3.55Å; F741-Y747 HydrophobicContact CD1-CE2 4.28Å; F741-Y747 HydrophobicContact CG-CD2 4.49Å; F741-Y747 HydrophobicContact CG-CE2 4.29Å; F741-Y764 WeakPolarHBondContact CA-OH 3.39Å; F741-Y764 HydrophobicContact CB-CE1 4.23Å; F741-Y764 HydrophobicContact CD2-CD2 4.44Å; F741-Y764 AromaticContact CD2-CE2 3.59Å; F741-Y764 HydrophobicContact CD2-CE2 3.59Å; F741-Y764 AromaticContact CD2-CZ 3.68Å; F741-Y764 HydrophobicContact CE2-CE2 4.18Å; F741-Y764 HydrophobicContact CG-CE2 4.46Å; F741-N769 WeakPolarHBondContact CE2-ND2 3.43Å; F741-E771 VanDerWaalsContact CD2-OE2 3.26Å; F741-E771 WeakPolarHBondContact CD2-OE2 3.48Å; F741-R777 PolarHBondContact O-NH2 2.99Å
742	A	89.8	Confident	92.3	Very high	76 Å²	76	55.3 Å²	55.3	63%	0.628	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-26	-174.8	0	0	0	0	0	114.1	G744	A742-G744 PolarHBondContact O-N 2.75Å
743	D	90.8	Very high	92.6	Very high	82 Å²	82	52.3 Å²	52.3	44%	0.439	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-10.3	172.3	64.1	-0.2	0	0	0	114.1	F741 E745 Y747	F741-D743 WeakPolarHBondContact CB-OD1 3.28Å; F741-D743 HydrophobicContact CD1-CB 4.24Å; F741-D743 PolarHBondContact O-N 2.95Å; F741-D743 VanDerWaalsContact O-N 3.13Å; D743-E745 PolarHBondContact OD1-N 3.42Å; D743-Y747 WeakPolarHBondContact OD2-CE2 3.16Å; D743-Y747 PolarHBondContact OD2-OH 3.22Å
744	G	89.5	Confident	92.8	Very high	30 Å²	30	45.8 Å²	45.8	31%	0.309	24%	0.236	S	C	.	.	S	Bend	trans	88.9	0.5	-177.9	0	0	0	0	0	114.2	K740 F741 A742	K740-G744 WeakPolarHBondContact CE-O 3.36Å; F741-G744 PolarHBondContact O-N 3.49Å; A742-G744 PolarHBondContact O-N 2.75Å
745	E	94.3	Very high	93.1	Very high	80 Å²	80	49.2 Å²	49.2	37%	0.374	25%	0.245	S	C	.	.			trans	-94.9	157.1	-179.8	-66.4	-59.3	148.6	0	0	112.2	R716 K740 F741 D743 Y747	R716-E745 WeakPolarHBondContact CD-OE2 3.26Å; R716-E745 IonicContact NE-OE2 2.69Å; K740-E745 CarbonylContact C-O 3.55Å; K740-E745 VanDerWaalsContact CA-O 3.31Å; K740-E745 WeakPolarHBondContact CA-O 3.17Å; F741-E745 PolarHBondContact N-O 2.7Å; D743-E745 PolarHBondContact OD1-N 3.42Å; E745-Y747 HydrophobicContact CB-CE2 3.7Å; E745-Y747 WeakPolarHBondContact O-CD2 3.42Å
746	W	95.3	Very high	93.1	Very high	28 Å²	28	49.4 Å²	49.4	11%	0.106	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.7	177.7	-70.1	92.2	0	0	0	111.4	M715 R716 I719 P724 L738 K740 R777 A779	M715-W746 HydrophobicContact CE-CB 4.43Å; M715-W746 WeakPolarHBondContact CE-O 3.42Å; R716-W746 PolarHBondContact NE-O 2.94Å; I719-W746 HydrophobicContact CD1-CB 3.58Å; I719-W746 HydrophobicContact CD1-CD2 4.33Å; I719-W746 HydrophobicContact CD1-CG 3.76Å; I719-W746 HydrophobicContact CG2-CD2 4.4Å; I719-W746 HydrophobicContact CG2-CG 4.11Å; P724-W746 HydrophobicContact CG-CH2 3.83Å; P724-W746 HydrophobicContact CG-CZ2 3.63Å; L738-W746 HydrophobicContact CB-CE3 3.82Å; L738-W746 HydrophobicContact CB-CZ3 4.27Å; K740-W746 HydrophobicContact CB-CD2 3.96Å; K740-W746 HydrophobicContact CB-CE3 3.98Å; K740-W746 HydrophobicContact CB-CH2 4.14Å; K740-W746 HydrophobicContact CB-CZ2 4.11Å; K740-W746 HydrophobicContact CB-CZ3 4.07Å; K740-W746 HydrophobicContact CD-CZ2 4.09Å; K740-W746 HydrophobicContact CG-CD2 4.26Å; K740-W746 HydrophobicContact CG-CZ2 4.45Å; W746-R777 VanDerWaalsContact CZ3-O 3.28Å; W746-R777 WeakPolarHBondContact CZ3-O 3.38Å; W746-A779 HydrophobicContact CH2-CB 4.08Å; W746-A779 HydrophobicContact CZ3-CB 3.87Å
747	Y	97.1	Very high	92.7	Very high	28 Å²	28	49.3 Å²	49.3	11%	0.11	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	157	-178.9	-65.3	-88	0	0	0	111	M712 R716 L738 A739 F741 D743 E745 Y764 Y767	M712-Y747 HydrophobicContact CE-CD1 4.38Å; M712-Y747 HydrophobicContact SD-CD1 4.19Å; R716-Y747 PolarHBondContact NH2-OH 2.74Å; L738-Y747 CarbonylContact C-O 3.53Å; L738-Y747 VanDerWaalsContact CA-O 3.27Å; L738-Y747 WeakPolarHBondContact CA-O 3.46Å; A739-Y747 PolarHBondContact N-O 2.82Å; A739-Y747 PolarHBondContact O-N 3.46Å; F741-Y747 HydrophobicContact CB-CD2 3.52Å; F741-Y747 HydrophobicContact CB-CE2 3.55Å; F741-Y747 HydrophobicContact CD1-CE2 4.28Å; F741-Y747 HydrophobicContact CG-CD2 4.49Å; F741-Y747 HydrophobicContact CG-CE2 4.29Å; D743-Y747 WeakPolarHBondContact OD2-CE2 3.16Å; D743-Y747 PolarHBondContact OD2-OH 3.22Å; E745-Y747 HydrophobicContact CB-CE2 3.7Å; E745-Y747 WeakPolarHBondContact O-CD2 3.42Å; Y747-Y764 HydrophobicContact CD2-CE1 4.38Å; Y747-Y764 HydrophobicContact CG-CD1 4.25Å; Y747-Y764 HydrophobicContact CG-CE1 4.37Å; Y747-Y767 AromaticContact CD1-CD2 3.98Å; Y747-Y767 HydrophobicContact CD1-CD2 3.98Å; Y747-Y767 AromaticContact CD1-CE2 3.44Å; Y747-Y767 HydrophobicContact CD1-CE2 3.44Å; Y747-Y767 VanDerWaalsContact CD1-CE2 3.44Å; Y747-Y767 HydrophobicContact CE1-CD2 4.32Å; Y747-Y767 AromaticContact CE1-CE2 3.63Å; Y747-Y767 HydrophobicContact CE1-CE2 3.63Å; Y747-Y767 AromaticContact CE1-CZ 3.82Å
748	R	97.3	Very high	92.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	132.6	170.5	-53.3	-168	-59.7	172.7	0.8	109.7	M712 M715 L738 I765 D766 M781 F785 S786 L790 P791	M712-R748 HydrophobicContact CE-CG 4.24Å; M715-R748 HydrophobicContact SD-CG 3.91Å; L738-R748 HydrophobicContact CD2-CG 4.13Å; R748-I765 HydrophobicContact CB-CD1 3.74Å; R748-I765 HydrophobicContact CB-CG1 3.69Å; R748-I765 WeakPolarHBondContact O-CG1 3.01Å; R748-I765 PolarHBondContact O-N 3.19Å; R748-I765 VanDerWaalsContact O-N 3.16Å; R748-D766 WeakPolarHBondContact CB-OD2 3.34Å; R748-D766 IonicContact CZ-OD1 3.93Å; R748-D766 IonicContact CZ-OD2 3.4Å; R748-D766 IonicContact NE-OD1 2.85Å; R748-D766 IonicContact NE-OD2 3.96Å; R748-D766 PolarHBondContact NE-OD2 3.45Å; R748-D766 IonicContact NH2-OD1 2.8Å; R748-D766 PolarHBondContact NH2-OD1 3.48Å; R748-D766 IonicContact NH2-OD2 2.73Å; R748-D766 PolarHBondContact NH2-OD2 3.43Å; R748-M781 HydrophobicContact CB-CE 3.81Å; R748-M781 HydrophobicContact CG-CE 4.15Å; R748-F785 WeakPolarHBondContact CD-O 3.38Å; R748-F785 PolarHBondContact NH1-O 2.92Å; R748-F785 VanDerWaalsContact NH1-O 3.1Å; R748-S786 PolarHBondContact NH1-O 2.99Å; R748-L790 PolarHBondContact NH1-O 2.66Å; R748-L790 PolarHBondContact NH2-O 3.44Å; R748-P791 PolarHBondContact NH2-O 3.2Å
749	A	96.8	Very high	92.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	166.3	-177.8	0	0	0	0	0	111.9	Y736 C737 A739 V762 F763 Y764	Y736-A749 WeakPolarHBondContact CA-O 3.34Å; C737-A749 PolarHBondContact N-O 2.92Å; C737-A749 PolarHBondContact O-N 3.37Å; C737-A749 VanDerWaalsContact O-O 3.09Å; A739-A749 HydrophobicContact CB-CB 3.69Å; A749-V762 HydrophobicContact CB-CB 4.19Å; A749-F763 CarbonylContact C-O 3.51Å; A749-F763 WeakPolarHBondContact CA-O 3.47Å; A749-Y764 HydrophobicContact CB-CD1 4.13Å; A749-Y764 HydrophobicContact CB-CE1 4.4Å
750	R	96.5	Very high	92.1	Very high	115 Å²	115	57.4 Å²	57.4	43%	0.434	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.7	170.4	-178.5	-177.7	177.8	-163.5	-2.9	109	D735 Y736 E752 V762 F763 I765	D735-R750 WeakPolarHBondContact O-CA 3.46Å; Y736-R750 HydrophobicContact CD1-CB 4.22Å; Y736-R750 HydrophobicContact CE1-CB 4.26Å; Y736-R750 HydrophobicContact CE1-CG 4.48Å; R750-E752 PolarHBondContact O-N 2.88Å; R750-V762 WeakPolarHBondContact O-CA 3.32Å; R750-F763 PolarHBondContact N-O 2.77Å; R750-F763 PolarHBondContact O-N 2.74Å; R750-I765 HydrophobicContact CB-CG2 3.71Å
751	V	91.5	Very high	92.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	117.1	176	-179.3	0	0	0	0	109.5	A731 R732 G734 D735 V754 V760	A731-V751 HydrophobicContact CB-CG2 4.12Å; R732-V751 WeakPolarHBondContact O-CB 3.32Å; G734-V751 WeakPolarHBondContact CA-O 3.45Å; G734-V751 PolarHBondContact N-O 2.91Å; D735-V751 PolarHBondContact O-N 2.81Å; V751-V754 HydrophobicContact CG1-CG2 3.61Å; V751-V760 HydrophobicContact CG1-CG1 3.72Å; V751-V760 HydrophobicContact CG2-CG1 4.37Å
752	E	89.3	Confident	92.2	Very high	66 Å²	66	53.5 Å²	53.5	31%	0.308	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-37	178.6	-68.1	-166.8	140.2	0	0	112.4	R733 R750 H761 F763 R770	R733-E752 VanDerWaalsContact CD-O 3.28Å; R733-E752 WeakPolarHBondContact CD-O 3.29Å; R733-E752 VanDerWaalsContact CG-O 3.24Å; R733-E752 WeakPolarHBondContact CG-O 3.32Å; R733-E752 PolarHBondContact NE-O 2.92Å; R750-E752 PolarHBondContact O-N 2.88Å; E752-H761 HydrophobicContact CB-CB 4.45Å; E752-H761 PolarHBondContact N-O 3.25Å; E752-F763 HydrophobicContact CG-CB 3.78Å; E752-R770 IonicContact OE1-CZ 3.51Å; E752-R770 IonicContact OE1-NE 2.83Å; E752-R770 PolarHBondContact OE1-NE 3.07Å; E752-R770 IonicContact OE1-NH2 3.44Å; E752-R770 WeakPolarHBondContact OE2-CD 3.41Å; E752-R770 IonicContact OE2-NE 3.92Å; E752-R770 PolarHBondContact OE2-NE 2.9Å
753	K	89.7	Confident	92.6	Very high	96 Å²	96	51.2 Å²	51.2	42%	0.417	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	140.8	-179.6	180	-172.6	171.5	-148.2	0	110.1	E755 H761	K753-E755 IonicContact NZ-OE2 3.97Å; K753-E755 PolarHBondContact NZ-OE2 3.22Å; K753-H761 HydrophobicContact CB-CB 4Å; K753-H761 PolarHBondContact N-O 2.61Å; K753-H761 PolarHBondContact O-N 3.03Å
754	V	90.1	Very high	92.9	Very high	61 Å²	61	47.4 Å²	47.4	37%	0.37	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	105.7	171.1	-177.8	0	0	0	0	107	A731 V751 V760	A731-V754 HydrophobicContact CB-CG2 4.3Å; V751-V754 HydrophobicContact CG1-CG2 3.61Å; V754-V760 HydrophobicContact CG1-CG2 4.39Å; V754-V760 HydrophobicContact CG2-CG1 4.19Å
755	E	89.4	Confident	93.2	Very high	98 Å²	98	46.1 Å²	46.1	46%	0.458	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-42.6	178.1	-177.7	171.5	127	0	0	110.9	K753 K759 H761	K753-E755 IonicContact NZ-OE2 3.97Å; K753-E755 PolarHBondContact NZ-OE2 3.22Å; E755-K759 HydrophobicContact CB-CB 4.12Å; E755-K759 WeakPolarHBondContact CB-O 3.43Å; E755-K759 PolarHBondContact N-O 3.41Å; E755-K759 WeakPolarHBondContact OE1-CD 3.45Å; E755-K759 IonicContact OE1-NZ 3.65Å; E755-H761 IonicContact OE2-NE2 3.96Å
756	S	87.7	Confident	93.3	Very high	42 Å²	42	42.3 Å²	42.3	29%	0.294	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	170.2	171.2	66.5	0	0	0	0	109.1	A758 K759	S756-A758 PolarHBondContact O-N 3.27Å; S756-A758 VanDerWaalsContact O-N 3.14Å; S756-A758 PolarHBondContact OG-N 2.69Å; S756-K759 PolarHBondContact N-O 2.92Å; S756-K759 CarbonylContact O-C 3.26Å; S756-K759 VanDerWaalsContact O-C 3.26Å; S756-K759 PolarHBondContact O-N 2.88Å; S756-K759 PolarHBondContact OG-N 3.35Å
757	P	85.2	Confident	93.3	Very high	96 Å²	96	43.9 Å²	43.9	62%	0.623	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.1	172	-27	36.1	0	0	0	113.5	S775	P757-S775 WeakPolarHBondContact O-CB 3.15Å; P757-S775 PolarHBondContact O-N 3.43Å; P757-S775 PolarHBondContact O-OG 3.02Å
758	A	89.5	Confident	93.2	Very high	67 Å²	67	42.6 Å²	42.6	55%	0.554	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-15.1	176.8	0	0	0	0	0	114	S756	S756-A758 PolarHBondContact O-N 3.27Å; S756-A758 VanDerWaalsContact O-N 3.14Å; S756-A758 PolarHBondContact OG-N 2.69Å
759	K	93.1	Very high	93.1	Very high	104 Å²	104	43.7 Å²	43.7	45%	0.452	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	93.2	-174.7	-65.6	-174.4	-179.1	-176.3	0	111.2	E755 S756 V772	E755-K759 HydrophobicContact CB-CB 4.12Å; E755-K759 WeakPolarHBondContact CB-O 3.43Å; E755-K759 PolarHBondContact N-O 3.41Å; E755-K759 WeakPolarHBondContact OE1-CD 3.45Å; E755-K759 IonicContact OE1-NZ 3.65Å; S756-K759 PolarHBondContact N-O 2.92Å; S756-K759 CarbonylContact O-C 3.26Å; S756-K759 VanDerWaalsContact O-C 3.26Å; S756-K759 PolarHBondContact O-N 2.88Å; S756-K759 PolarHBondContact OG-N 3.35Å; K759-V772 HydrophobicContact CB-CG1 3.85Å; K759-V772 HydrophobicContact CG-CG1 4.16Å
760	V	92.4	Very high	93	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.5	175.4	-173.3	0	0	0	0	108.7	A731 V751 V754 V762 V772 V773 L778	A731-V760 HydrophobicContact CB-CG1 4.24Å; V751-V760 HydrophobicContact CG1-CG1 3.72Å; V751-V760 HydrophobicContact CG2-CG1 4.37Å; V754-V760 HydrophobicContact CG1-CG2 4.39Å; V754-V760 HydrophobicContact CG2-CG1 4.19Å; V760-V762 HydrophobicContact CG1-CG1 4.21Å; V760-V772 WeakPolarHBondContact O-CA 3.4Å; V760-V773 WeakPolarHBondContact CA-O 3.18Å; V760-V773 WeakPolarHBondContact CB-O 3.34Å; V760-V773 PolarHBondContact N-O 3.09Å; V760-V773 PolarHBondContact O-N 3.4Å; V760-L778 HydrophobicContact CB-CD1 3.89Å; V760-L778 HydrophobicContact CG1-CD1 3.68Å; V760-L778 HydrophobicContact CG2-CD1 4.02Å
761	H	95.8	Very high	92.9	Very high	53 Å²	53	46.1 Å²	46.1	25%	0.245	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	121.4	175.1	-61.2	-109.8	0	0	0	108.9	E752 K753 E755 E771	E752-H761 HydrophobicContact CB-CB 4.45Å; E752-H761 PolarHBondContact N-O 3.25Å; K753-H761 HydrophobicContact CB-CB 4Å; K753-H761 PolarHBondContact N-O 2.61Å; K753-H761 PolarHBondContact O-N 3.03Å; E755-H761 IonicContact OE2-NE2 3.96Å; H761-E771 WeakPolarHBondContact CA-O 3.2Å
762	V	95.6	Very high	93.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	146	178.1	-65.4	0	0	0	0	110.9	A739 A749 R750 V760 Y764 R770 E771 V773 L778	A739-V762 HydrophobicContact CB-CG2 4.24Å; A749-V762 HydrophobicContact CB-CB 4.19Å; R750-V762 WeakPolarHBondContact O-CA 3.32Å; V760-V762 HydrophobicContact CG1-CG1 4.21Å; V762-Y764 HydrophobicContact CG2-CE2 4.14Å; V762-R770 VanDerWaalsContact O-CA 3.3Å; V762-R770 WeakPolarHBondContact O-CA 3.11Å; V762-E771 HydrophobicContact CG2-CB 4.23Å; V762-E771 WeakPolarHBondContact CG2-O 3.48Å; V762-E771 PolarHBondContact N-O 2.91Å; V762-E771 PolarHBondContact O-N 3.48Å; V762-V773 HydrophobicContact CG1-CG2 4.02Å; V762-V773 HydrophobicContact CG2-CG1 4.34Å; V762-V773 HydrophobicContact CG2-CG2 3.96Å; V762-L778 HydrophobicContact CG1-CD2 3.88Å
763	F	97.1	Very high	93.4	Very high	28 Å²	28	46.8 Å²	46.8	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.8	170.7	170.1	-102.5	0	0	0	108.5	Y698 A749 R750 E752 I765 G768 R770	Y698-F763 HydrophobicContact CD1-CE2 4.43Å; Y698-F763 HydrophobicContact CD1-CZ 4.24Å; Y698-F763 AromaticContact CE1-CE2 3.71Å; Y698-F763 HydrophobicContact CE1-CE2 3.71Å; Y698-F763 AromaticContact CE1-CZ 3.61Å; Y698-F763 HydrophobicContact CE1-CZ 3.61Å; Y698-F763 HydrophobicContact CE2-CE2 4.34Å; Y698-F763 AromaticContact CZ-CE2 3.67Å; A749-F763 CarbonylContact C-O 3.51Å; A749-F763 WeakPolarHBondContact CA-O 3.47Å; R750-F763 PolarHBondContact N-O 2.77Å; R750-F763 PolarHBondContact O-N 2.74Å; E752-F763 HydrophobicContact CG-CB 3.78Å; F763-I765 HydrophobicContact CD1-CG2 3.81Å; F763-I765 HydrophobicContact CE1-CB 4.45Å; F763-I765 HydrophobicContact CE1-CG2 4.08Å; F763-I765 PolarHBondContact O-N 2.68Å; F763-G768 WeakPolarHBondContact CE2-O 3.21Å; F763-R770 HydrophobicContact CB-CG 4.38Å; F763-R770 HydrophobicContact CD2-CG 3.95Å
764	Y	97.3	Very high	93.5	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	102.8	179.2	-69.7	-77.4	0	0	0	109.4	A739 F741 Y747 A749 V762 D766 Y767 G768 N769 E771	A739-Y764 HydrophobicContact CB-CE1 3.72Å; F741-Y764 WeakPolarHBondContact CA-OH 3.39Å; F741-Y764 HydrophobicContact CB-CE1 4.23Å; F741-Y764 HydrophobicContact CD2-CD2 4.44Å; F741-Y764 AromaticContact CD2-CE2 3.59Å; F741-Y764 HydrophobicContact CD2-CE2 3.59Å; F741-Y764 AromaticContact CD2-CZ 3.68Å; F741-Y764 HydrophobicContact CE2-CE2 4.18Å; F741-Y764 HydrophobicContact CG-CE2 4.46Å; Y747-Y764 HydrophobicContact CD2-CE1 4.38Å; Y747-Y764 HydrophobicContact CG-CD1 4.25Å; Y747-Y764 HydrophobicContact CG-CE1 4.37Å; A749-Y764 HydrophobicContact CB-CD1 4.13Å; A749-Y764 HydrophobicContact CB-CE1 4.4Å; V762-Y764 HydrophobicContact CG2-CE2 4.14Å; Y764-D766 PolarHBondContact O-N 3.38Å; Y764-Y767 PolarHBondContact O-N 3.23Å; Y764-G768 PolarHBondContact O-N 2.67Å; Y764-N769 WeakPolarHBondContact CB-OD1 3.09Å; Y764-N769 WeakPolarHBondContact CD2-ND2 3.44Å; Y764-N769 WeakPolarHBondContact CD2-O 3.16Å; Y764-N769 PolarHBondContact N-O 3.11Å; Y764-E771 HydrophobicContact CE2-CB 3.79Å; Y764-E771 PolarHBondContact OH-OE2 3.07Å
765	I	96.6	Very high	93.5	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.3	-165.7	55.5	155	0	0	0	114.1	Y736 R748 R750 F763 T787 V792 Q793 A794	Y736-I765 HydrophobicContact CD1-CD1 4.16Å; Y736-I765 HydrophobicContact CD1-CG2 4.34Å; Y736-I765 HydrophobicContact CE1-CD1 4.23Å; Y736-I765 HydrophobicContact CE1-CG2 4.03Å; R748-I765 HydrophobicContact CB-CD1 3.74Å; R748-I765 HydrophobicContact CB-CG1 3.69Å; R748-I765 WeakPolarHBondContact O-CG1 3.01Å; R748-I765 PolarHBondContact O-N 3.19Å; R748-I765 VanDerWaalsContact O-N 3.16Å; R750-I765 HydrophobicContact CB-CG2 3.71Å; F763-I765 HydrophobicContact CD1-CG2 3.81Å; F763-I765 HydrophobicContact CE1-CB 4.45Å; F763-I765 HydrophobicContact CE1-CG2 4.08Å; F763-I765 PolarHBondContact O-N 2.68Å; I765-T787 HydrophobicContact CD1-CG2 3.79Å; I765-V792 HydrophobicContact CB-CB 4.33Å; I765-V792 HydrophobicContact CB-CG1 4.02Å; I765-V792 HydrophobicContact CD1-CG1 3.84Å; I765-Q793 PolarHBondContact O-N 3.15Å; I765-A794 PolarHBondContact O-N 2.85Å; I765-A794 VanDerWaalsContact O-N 3.16Å
766	D	96.7	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-15.3	179.5	-62.4	-40.6	0	0	0	112.8	Q700 L708 M712 R748 Y764 Q793 A794	Q700-D766 WeakPolarHBondContact CG-O 3.28Å; Q700-D766 PolarHBondContact NE2-O 2.85Å; L708-D766 HydrophobicContact CD1-CB 3.96Å; L708-D766 HydrophobicContact CD2-CB 4.19Å; M712-D766 HydrophobicContact CE-CB 4.19Å; M712-D766 WeakPolarHBondContact CE-OD2 3.35Å; R748-D766 WeakPolarHBondContact CB-OD2 3.34Å; R748-D766 IonicContact CZ-OD1 3.93Å; R748-D766 IonicContact CZ-OD2 3.4Å; R748-D766 IonicContact NE-OD1 2.85Å; R748-D766 IonicContact NE-OD2 3.96Å; R748-D766 PolarHBondContact NE-OD2 3.45Å; R748-D766 IonicContact NH2-OD1 2.8Å; R748-D766 PolarHBondContact NH2-OD1 3.48Å; R748-D766 IonicContact NH2-OD2 2.73Å; R748-D766 PolarHBondContact NH2-OD2 3.43Å; Y764-D766 PolarHBondContact O-N 3.38Å; D766-Q793 HydrophobicContact CB-CB 3.99Å; D766-Q793 WeakPolarHBondContact OD1-CB 3.3Å; D766-Q793 WeakPolarHBondContact OD1-CG 3.24Å; D766-Q793 PolarHBondContact OD1-N 3.21Å; D766-Q793 VanDerWaalsContact OD1-N 3.07Å; D766-A794 VanDerWaalsContact C-CB 3.46Å; D766-A794 PolarHBondContact O-N 2.76Å
767	Y	95.2	Very high	93.9	Very high	62 Å²	62	41.6 Å²	41.6	24%	0.243	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-18.3	-173.3	-63.8	-92.5	0	0	0	114.3	T689 M712 Y747 Y764 N769	T689-Y767 VanDerWaalsContact CB-O 3.32Å; T689-Y767 WeakPolarHBondContact CB-O 3.33Å; T689-Y767 HydrophobicContact CG2-CD1 4.22Å; T689-Y767 PolarHBondContact OG1-O 3.18Å; M712-Y767 HydrophobicContact CE-CE2 4.22Å; Y747-Y767 AromaticContact CD1-CD2 3.98Å; Y747-Y767 HydrophobicContact CD1-CD2 3.98Å; Y747-Y767 AromaticContact CD1-CE2 3.44Å; Y747-Y767 HydrophobicContact CD1-CE2 3.44Å; Y747-Y767 VanDerWaalsContact CD1-CE2 3.44Å; Y747-Y767 HydrophobicContact CE1-CD2 4.32Å; Y747-Y767 AromaticContact CE1-CE2 3.63Å; Y747-Y767 HydrophobicContact CE1-CE2 3.63Å; Y747-Y767 AromaticContact CE1-CZ 3.82Å; Y764-Y767 PolarHBondContact O-N 3.23Å; Y767-N769 VanDerWaalsContact C-N 3.29Å; Y767-N769 WeakPolarHBondContact CB-OD1 3.24Å; Y767-N769 PolarHBondContact O-N 3.13Å
768	G	94.3	Very high	94.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.			trans	86.8	-15.9	174.2	0	0	0	0	0	115.7	Y698 F763 Y764	Y698-G768 WeakPolarHBondContact CE2-O 3.24Å; Y698-G768 VanDerWaalsContact CG-CA 3.46Å; F763-G768 WeakPolarHBondContact CE2-O 3.21Å; Y764-G768 PolarHBondContact O-N 2.67Å
769	N	95.1	Very high	94.5	Very high	24 Å²	24	34.3 Å²	34.3	13%	0.128	17%	0.165	C	C	.	.			trans	-73.1	157.3	176.8	68.3	-55.6	0	0	0	112.2	E690 F741 Y764 Y767	E690-N769 HydrophobicContact CG-CB 4.19Å; F741-N769 WeakPolarHBondContact CE2-ND2 3.43Å; Y764-N769 WeakPolarHBondContact CB-OD1 3.09Å; Y764-N769 WeakPolarHBondContact CD2-ND2 3.44Å; Y764-N769 WeakPolarHBondContact CD2-O 3.16Å; Y764-N769 PolarHBondContact N-O 3.11Å; Y767-N769 VanDerWaalsContact C-N 3.29Å; Y767-N769 WeakPolarHBondContact CB-OD1 3.24Å; Y767-N769 PolarHBondContact O-N 3.13Å
770	R	94.4	Very high	94.4	Very high	118 Å²	118	32.5 Å²	32.5	45%	0.445	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	148.5	179.9	-68.1	175.3	178.6	78.3	2.3	110.7	Y698 E752 V762 F763	Y698-R770 PolarHBondContact OH-NH1 2.63Å; Y698-R770 PolarHBondContact OH-NH2 3.28Å; E752-R770 IonicContact OE1-CZ 3.51Å; E752-R770 IonicContact OE1-NE 2.83Å; E752-R770 PolarHBondContact OE1-NE 3.07Å; E752-R770 IonicContact OE1-NH2 3.44Å; E752-R770 WeakPolarHBondContact OE2-CD 3.41Å; E752-R770 IonicContact OE2-NE 3.92Å; E752-R770 PolarHBondContact OE2-NE 2.9Å; V762-R770 VanDerWaalsContact O-CA 3.3Å; V762-R770 WeakPolarHBondContact O-CA 3.11Å; F763-R770 HydrophobicContact CB-CG 4.38Å; F763-R770 HydrophobicContact CD2-CG 3.95Å
771	E	95	Very high	94.4	Very high	47 Å²	47	33.8 Å²	33.8	22%	0.22	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.6	176.8	-167.6	-176.6	-167.6	0	0	110.8	F741 H761 V762 Y764 V773	F741-E771 VanDerWaalsContact CD2-OE2 3.26Å; F741-E771 WeakPolarHBondContact CD2-OE2 3.48Å; H761-E771 WeakPolarHBondContact CA-O 3.2Å; V762-E771 HydrophobicContact CG2-CB 4.23Å; V762-E771 WeakPolarHBondContact CG2-O 3.48Å; V762-E771 PolarHBondContact N-O 2.91Å; V762-E771 PolarHBondContact O-N 3.48Å; Y764-E771 HydrophobicContact CE2-CB 3.79Å; Y764-E771 PolarHBondContact OH-OE2 3.07Å; E771-V773 HydrophobicContact CB-CG1 4.21Å; E771-V773 VanDerWaalsContact CD-CG1 3.4Å; E771-V773 HydrophobicContact CG-CG1 3.72Å; E771-V773 VanDerWaalsContact OE2-CG1 3.27Å; E771-V773 WeakPolarHBondContact OE2-CG1 3.36Å
772	V	95.9	Very high	94.1	Very high	75 Å²	75	32.9 Å²	32.9	46%	0.455	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	110.7	168.1	-175.8	0	0	0	0	108.6	K759 V760	K759-V772 HydrophobicContact CB-CG1 3.85Å; K759-V772 HydrophobicContact CG-CG1 4.16Å; V760-V772 WeakPolarHBondContact O-CA 3.4Å
773	V	94.5	Very high	93.6	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	155.9	-177.1	-60.3	0	0	0	0	111.9	V760 V762 E771 R777 L778	V760-V773 WeakPolarHBondContact CA-O 3.18Å; V760-V773 WeakPolarHBondContact CB-O 3.34Å; V760-V773 PolarHBondContact N-O 3.09Å; V760-V773 PolarHBondContact O-N 3.4Å; V762-V773 HydrophobicContact CG1-CG2 4.02Å; V762-V773 HydrophobicContact CG2-CG1 4.34Å; V762-V773 HydrophobicContact CG2-CG2 3.96Å; E771-V773 HydrophobicContact CB-CG1 4.21Å; E771-V773 VanDerWaalsContact CD-CG1 3.4Å; E771-V773 HydrophobicContact CG-CG1 3.72Å; E771-V773 VanDerWaalsContact OE2-CG1 3.27Å; E771-V773 WeakPolarHBondContact OE2-CG1 3.36Å; V773-R777 HydrophobicContact CB-CB 4.28Å; V773-L778 HydrophobicContact CG2-CD1 4.44Å; V773-L778 HydrophobicContact CG2-CD2 3.59Å; V773-L778 HydrophobicContact CG2-CG 4.03Å
774	S	93.1	Very high	93.2	Very high	34 Å²	34	39.5 Å²	39.5	24%	0.238	23%	0.225	C	C	.	.			trans	-71.1	150	168	169.8	0	0	0	0	110.8	T776 R777	S774-T776 WeakPolarHBondContact CB-OG1 3.41Å; S774-T776 PolarHBondContact O-N 3.26Å; S774-T776 VanDerWaalsContact O-N 3.1Å; S774-T776 PolarHBondContact OG-N 3.45Å; S774-T776 PolarHBondContact OG-OG1 2.92Å; S774-R777 WeakPolarHBondContact O-CB 3.44Å; S774-R777 PolarHBondContact O-N 3.39Å
775	S	89.4	Confident	92.9	Very high	20 Å²	20	39.7 Å²	39.7	14%	0.14	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-59.3	-20.4	173.6	65	0	0	0	0	113.3	P757 R777 L778	P757-S775 WeakPolarHBondContact O-CB 3.15Å; P757-S775 PolarHBondContact O-N 3.43Å; P757-S775 PolarHBondContact O-OG 3.02Å; S775-R777 PolarHBondContact O-N 3.37Å; S775-L778 PolarHBondContact O-N 2.94Å
776	T	91.2	Very high	92.6	Very high	58 Å²	58	40.8 Å²	40.8	36%	0.356	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-67.2	-21.2	172	56	0	0	0	0	113.1	E726 S774 L778	E726-T776 HydrophobicContact CB-CG2 4.44Å; S774-T776 WeakPolarHBondContact CB-OG1 3.41Å; S774-T776 PolarHBondContact O-N 3.26Å; S774-T776 VanDerWaalsContact O-N 3.1Å; S774-T776 PolarHBondContact OG-N 3.45Å; S774-T776 PolarHBondContact OG-OG1 2.92Å; T776-L778 VanDerWaalsContact C-N 3.34Å
777	R	94.4	Very high	92.2	Very high	76 Å²	76	42.3 Å²	42.3	29%	0.287	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-96.1	13.9	176.6	-60.4	-179.8	64.5	93.4	-2.1	112.6	A739 K740 F741 W746 V773 S774 S775	A739-R777 WeakPolarHBondContact CA-O 3.37Å; K740-R777 VanDerWaalsContact C-NH2 3.31Å; K740-R777 HydrophobicContact CB-CB 4.15Å; K740-R777 PolarHBondContact N-O 2.93Å; K740-R777 VanDerWaalsContact O-CZ 3.29Å; K740-R777 PolarHBondContact O-NE 3.29Å; K740-R777 PolarHBondContact O-NH2 3.16Å; F741-R777 PolarHBondContact O-NH2 2.99Å; W746-R777 VanDerWaalsContact CZ3-O 3.28Å; W746-R777 WeakPolarHBondContact CZ3-O 3.38Å; V773-R777 HydrophobicContact CB-CB 4.28Å; S774-R777 WeakPolarHBondContact O-CB 3.44Å; S774-R777 PolarHBondContact O-N 3.39Å; S775-R777 PolarHBondContact O-N 3.37Å
778	L	93.8	Very high	91.7	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.2	-179.4	-60.2	-178.9	0	0	0	110.9	Y729 A731 L738 A739 V760 V762 V773 S775 T776	Y729-L778 HydrophobicContact CD1-CB 3.52Å; Y729-L778 HydrophobicContact CD1-CD1 4.4Å; Y729-L778 HydrophobicContact CE1-CB 4.02Å; Y729-L778 HydrophobicContact CE1-CD1 4.36Å; A731-L778 HydrophobicContact CB-CD1 3.83Å; L738-L778 CarbonylContact O-C 3.54Å; L738-L778 VanDerWaalsContact O-CA 3.32Å; L738-L778 WeakPolarHBondContact O-CA 3.36Å; A739-L778 HydrophobicContact CB-CD2 3.59Å; V760-L778 HydrophobicContact CB-CD1 3.89Å; V760-L778 HydrophobicContact CG1-CD1 3.68Å; V760-L778 HydrophobicContact CG2-CD1 4.02Å; V762-L778 HydrophobicContact CG1-CD2 3.88Å; V773-L778 HydrophobicContact CG2-CD1 4.44Å; V773-L778 HydrophobicContact CG2-CD2 3.59Å; V773-L778 HydrophobicContact CG2-CG 4.03Å; S775-L778 PolarHBondContact O-N 2.94Å; T776-L778 VanDerWaalsContact C-N 3.34Å
779	A	92.9	Very high	91.3	Very high	8 Å²	8	53 Å²	53	7%	0.066	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.5	175	0	0	0	0	0	111.4	P724 C737 L738 W746	P724-A779 HydrophobicContact CB-CB 3.54Å; P724-A779 HydrophobicContact CG-CB 3.8Å; C737-A779 WeakPolarHBondContact CA-O 3.3Å; C737-A779 WeakPolarHBondContact CB-O 3.3Å; L738-A779 HydrophobicContact CB-CB 4.29Å; L738-A779 PolarHBondContact N-O 3.34Å; L738-A779 PolarHBondContact O-N 3.17Å; W746-A779 HydrophobicContact CH2-CB 4.08Å; W746-A779 HydrophobicContact CZ3-CB 3.87Å
780	A	90.9	Very high	91.1	Very high	65 Å²	65	52.2 Å²	52.2	54%	0.537	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	137.8	171.3	0	0	0	0	0	109.7	Y729 P782	Y729-A780 HydrophobicContact CD2-CB 3.96Å; Y729-A780 HydrophobicContact CE2-CB 4.19Å; A780-P782 VanDerWaalsContact O-CD 3.28Å; A780-P782 WeakPolarHBondContact O-CD 3.28Å
781	M	92.3	Very high	91	Very high	29 Å²	29	49 Å²	49	14%	0.143	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-80	118.8	176.7	-173.2	-177.6	-62.5	0	0	110.3	C737 L738 R748 F785	C737-M781 WeakPolarHBondContact O-CE 3.15Å; L738-M781 HydrophobicContact CD2-CB 4.27Å; L738-M781 HydrophobicContact CD2-CE 4.19Å; L738-M781 HydrophobicContact CD2-CG 3.94Å; L738-M781 HydrophobicContact CG-CB 4.28Å; L738-M781 HydrophobicContact CG-CG 4.43Å; R748-M781 HydrophobicContact CB-CE 3.81Å; R748-M781 HydrophobicContact CG-CE 4.15Å; M781-F785 HydrophobicContact CG-CB 4.49Å
782	P	89.6	Confident	90.9	Very high	34 Å²	34	49.9 Å²	49.9	22%	0.221	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-59.4	145.2	172.8	-23.6	33.7	0	0	0	111.6	A780 A784 F785 S786	A780-P782 VanDerWaalsContact O-CD 3.28Å; A780-P782 WeakPolarHBondContact O-CD 3.28Å; P782-A784 PolarHBondContact O-N 2.96Å; P782-A784 VanDerWaalsContact O-N 3.11Å; P782-F785 HydrophobicContact CB-CD2 3.78Å; P782-F785 HydrophobicContact CB-CE2 4.08Å; P782-F785 HydrophobicContact CG-CD2 3.8Å; P782-F785 HydrophobicContact CG-CE2 4.03Å; P782-F785 PolarHBondContact O-N 3.24Å; P782-S786 PolarHBondContact O-N 2.84Å
783	P	85.8	Confident	90.9	Very high	112 Å²	112	46.9 Å²	46.9	73%	0.727	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-55.5	-31.2	179.6	-27.5	35.3	0	0	0	114.1	F785 S786	P783-F785 PolarHBondContact O-N 2.66Å; P783-S786 VanDerWaalsContact O-CB 3.31Å; P783-S786 WeakPolarHBondContact O-CB 3.16Å; P783-S786 PolarHBondContact O-N 3.22Å; P783-S786 PolarHBondContact O-OG 2.99Å
784	A	89.6	Confident	90.9	Very high	54 Å²	54	47.1 Å²	47.1	45%	0.446	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-60.1	-30.9	178.4	0	0	0	0	0	112.7	P782 T789	P782-A784 PolarHBondContact O-N 2.96Å; P782-A784 VanDerWaalsContact O-N 3.11Å; A784-T789 WeakPolarHBondContact O-CB 3.21Å; A784-T789 VanDerWaalsContact O-CG2 3.28Å; A784-T789 WeakPolarHBondContact O-CG2 3.26Å; A784-T789 PolarHBondContact O-OG1 3.37Å
785	F	91.4	Very high	91.1	Very high	7 Å²	7	48.3 Å²	48.3	3%	0.031	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-103.3	7.1	-179.1	-48.3	-60.8	0	0	0	113.4	L711 T714 M715 E718 R748 M781 P782 P783	L711-F785 HydrophobicContact CD1-CD1 3.82Å; L711-F785 HydrophobicContact CG-CD1 4.34Å; T714-F785 HydrophobicContact CG2-CE1 3.96Å; T714-F785 HydrophobicContact CG2-CZ 4.31Å; M715-F785 HydrophobicContact CB-CD1 3.74Å; M715-F785 HydrophobicContact CB-CD2 4.2Å; M715-F785 HydrophobicContact CB-CE1 3.8Å; M715-F785 HydrophobicContact CB-CE2 4.25Å; M715-F785 HydrophobicContact CB-CG 3.96Å; M715-F785 HydrophobicContact CB-CZ 4.05Å; M715-F785 HydrophobicContact CG-CB 4.43Å; M715-F785 HydrophobicContact CG-CD1 4.2Å; M715-F785 HydrophobicContact CG-CD2 3.85Å; M715-F785 HydrophobicContact CG-CE1 4.49Å; M715-F785 HydrophobicContact CG-CE2 4.16Å; M715-F785 HydrophobicContact CG-CG 3.88Å; M715-F785 HydrophobicContact CG-CZ 4.47Å; M715-F785 HydrophobicContact SD-CB 4.32Å; M715-F785 HydrophobicContact SD-CG 4.4Å; E718-F785 HydrophobicContact CB-CE2 4.17Å; E718-F785 HydrophobicContact CB-CZ 4.03Å; E718-F785 HydrophobicContact CG-CE2 4.35Å; E718-F785 HydrophobicContact CG-CZ 4.5Å; E718-F785 VanDerWaalsContact OE2-CE2 3.25Å; E718-F785 WeakPolarHBondContact OE2-CE2 3.47Å; E718-F785 WeakPolarHBondContact OE2-CZ 3.29Å; R748-F785 WeakPolarHBondContact CD-O 3.38Å; R748-F785 PolarHBondContact NH1-O 2.92Å; R748-F785 VanDerWaalsContact NH1-O 3.1Å; M781-F785 HydrophobicContact CG-CB 4.49Å; P782-F785 HydrophobicContact CB-CD2 3.78Å; P782-F785 HydrophobicContact CB-CE2 4.08Å; P782-F785 HydrophobicContact CG-CD2 3.8Å; P782-F785 HydrophobicContact CG-CE2 4.03Å; P782-F785 PolarHBondContact O-N 3.24Å; P783-F785 PolarHBondContact O-N 2.66Å
786	S	89.3	Confident	91.4	Very high	25 Å²	25	50.2 Å²	50.2	18%	0.175	29%	0.287	C	S	.	.	S	Bend	trans	-64	164.2	-177.2	73.5	0	0	0	0	112.8	R748 P782 P783 R788 T789 L790	R748-S786 PolarHBondContact NH1-O 2.99Å; P782-S786 PolarHBondContact O-N 2.84Å; P783-S786 VanDerWaalsContact O-CB 3.31Å; P783-S786 WeakPolarHBondContact O-CB 3.16Å; P783-S786 PolarHBondContact O-N 3.22Å; P783-S786 PolarHBondContact O-OG 2.99Å; S786-R788 PolarHBondContact O-N 3.15Å; S786-R788 PolarHBondContact OG-N 3.07Å; S786-T789 PolarHBondContact O-N 3.27Å; S786-L790 PolarHBondContact O-N 3.26Å
787	T	88.5	Confident	91.6	Very high	32 Å²	32	48 Å²	48	20%	0.196	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-4.3	174.8	55.7	0	0	0	0	114.3	Y736 I765 L790 V792	Y736-T787 HydrophobicContact CD1-CG2 4Å; Y736-T787 HydrophobicContact CE1-CG2 3.78Å; I765-T787 HydrophobicContact CD1-CG2 3.79Å; T787-L790 CarbonylContact C-O 3.48Å; T787-L790 VanDerWaalsContact CA-O 3.3Å; T787-L790 WeakPolarHBondContact CA-O 3.46Å; T787-V792 HydrophobicContact CG2-CG1 3.86Å
788	R	84.4	Confident	91.7	Very high	201 Å²	201	44.8 Å²	44.8	76%	0.758	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-27.9	170.5	-64.5	178.7	179.1	-106.1	3.3	112.9	P569 S786	P569-R788 HydrophobicContact CG-CG 4.3Å; S786-R788 PolarHBondContact O-N 3.15Å; S786-R788 PolarHBondContact OG-N 3.07Å
789	T	85.9	Confident	91.8	Very high	86 Å²	86	44.8 Å²	44.8	53%	0.528	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-51	179.2	-51.1	0	0	0	0	110.3	A784 S786	A784-T789 WeakPolarHBondContact O-CB 3.21Å; A784-T789 VanDerWaalsContact O-CG2 3.28Å; A784-T789 WeakPolarHBondContact O-CG2 3.26Å; A784-T789 PolarHBondContact O-OG1 3.37Å; S786-T789 PolarHBondContact O-N 3.27Å
790	L	90.2	Very high	91.9	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.042	26%	0.258	C	S	.	.	S	Bend	trans	-129.7	126.6	171	-173	68	0	0	0	107.8	Q707 L708 L711 R748 S786 T787 Q793	Q707-L790 HydrophobicContact CB-CD1 3.9Å; L708-L790 HydrophobicContact CB-CD2 4.22Å; L708-L790 HydrophobicContact CD1-CD2 4.23Å; L711-L790 HydrophobicContact CB-CD2 4.16Å; L711-L790 HydrophobicContact CD2-CB 3.96Å; L711-L790 HydrophobicContact CD2-CD2 3.72Å; L711-L790 HydrophobicContact CD2-CG 4.47Å; L711-L790 HydrophobicContact CG-CD2 4.48Å; R748-L790 PolarHBondContact NH1-O 2.66Å; R748-L790 PolarHBondContact NH2-O 3.44Å; S786-L790 PolarHBondContact O-N 3.26Å; T787-L790 CarbonylContact C-O 3.48Å; T787-L790 VanDerWaalsContact CA-O 3.3Å; T787-L790 WeakPolarHBondContact CA-O 3.46Å; L790-Q793 HydrophobicContact CD2-CG 4.02Å; L790-Q793 HydrophobicContact CG-CG 4.4Å
791	P	92.4	Very high	92.1	Very high	51 Å²	51	41.3 Å²	41.3	33%	0.331	23%	0.233	S	C	.	.			trans	-54.5	169.2	174	-26.9	37.1	0	0	0	113.1	R748 Q793	R748-P791 PolarHBondContact NH2-O 3.2Å; P791-Q793 PolarHBondContact O-N 3.28Å; P791-Q793 PolarHBondContact O-OE1 3Å
792	V	93.3	Very high	92.2	Very high	65 Å²	65	40.5 Å²	40.5	39%	0.394	23%	0.229	S	C	.	.			trans	-64.2	132.5	171.3	-58.9	0	0	0	0	108.6	I765 T787	I765-V792 HydrophobicContact CB-CB 4.33Å; I765-V792 HydrophobicContact CB-CG1 4.02Å; I765-V792 HydrophobicContact CD1-CG1 3.84Å; T787-V792 HydrophobicContact CG2-CG1 3.86Å
793	Q	96.3	Very high	92.3	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.056	24%	0.236	C	C	.	.			trans	-94.6	-22.1	-171.2	-63.9	-65.5	114.6	0	0	113.9	Q700 T704 L708 I765 D766 L790 P791	Q700-Q793 WeakPolarHBondContact CA-O 3.5Å; T704-Q793 VanDerWaalsContact CB-NE2 3.33Å; T704-Q793 PolarHBondContact OG1-NE2 2.88Å; L708-Q793 HydrophobicContact CB-CG 4.23Å; L708-Q793 HydrophobicContact CD1-CG 3.98Å; L708-Q793 HydrophobicContact CD2-CB 3.96Å; L708-Q793 HydrophobicContact CD2-CG 4.05Å; L708-Q793 HydrophobicContact CG-CG 4.3Å; I765-Q793 PolarHBondContact O-N 3.15Å; D766-Q793 HydrophobicContact CB-CB 3.99Å; D766-Q793 WeakPolarHBondContact OD1-CB 3.3Å; D766-Q793 WeakPolarHBondContact OD1-CG 3.24Å; D766-Q793 PolarHBondContact OD1-N 3.21Å; D766-Q793 VanDerWaalsContact OD1-N 3.07Å; L790-Q793 HydrophobicContact CD2-CG 4.02Å; L790-Q793 HydrophobicContact CG-CG 4.4Å; P791-Q793 PolarHBondContact O-N 3.28Å; P791-Q793 PolarHBondContact O-OE1 3Å
794	A	95.1	Very high	92.4	Very high	9 Å²	9	39.7 Å²	39.7	7%	0.074	22%	0.215	C	C	.	.			trans	-88.2	125.2	175	0	0	0	0	0	111.3	Y698 I765 D766	Y698-A794 HydrophobicContact CD1-CB 4.14Å; I765-A794 PolarHBondContact O-N 2.85Å; I765-A794 VanDerWaalsContact O-N 3.16Å; D766-A794 VanDerWaalsContact C-CB 3.46Å; D766-A794 PolarHBondContact O-N 2.76Å
795	T	95.8	Very high	92.4	Very high	60 Å²	60	38 Å²	38	37%	0.368	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.8	172.2	-52.9	0	0	0	0	110	Y698 A699 Y797	Y698-T795 WeakPolarHBondContact CA-O 3.07Å; A699-T795 PolarHBondContact N-O 3.49Å; A699-T795 PolarHBondContact O-N 3.45Å; T795-Y797 HydrophobicContact CG2-CD2 4.45Å; T795-Y797 HydrophobicContact CG2-CE1 4.01Å; T795-Y797 HydrophobicContact CG2-CE2 3.71Å; T795-Y797 VanDerWaalsContact CG2-CZ 3.45Å; T795-Y797 WeakPolarHBondContact CG2-OH 3.34Å; T795-Y797 WeakPolarHBondContact O-CD2 3.48Å
796	E	96.4	Very high	92.1	Very high	60 Å²	60	45.9 Å²	45.9	28%	0.28	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	138.2	175.9	-163.3	172.2	160.9	0	0	111	H696 F697 Y698 C838	H696-E796 HydrophobicContact CB-CG 4.34Å; H696-E796 IonicContact CE1-OE1 2.65Å; H696-E796 IonicContact CG-OE1 3.46Å; H696-E796 IonicContact ND1-OE1 2.66Å; H696-E796 PolarHBondContact ND1-OE1 2.84Å; F697-E796 CarbonylContact O-C 3.5Å; F697-E796 WeakPolarHBondContact O-CA 3.45Å; Y698-E796 HydrophobicContact CD1-CB 3.9Å; Y698-E796 HydrophobicContact CD1-CG 4.38Å; Y698-E796 HydrophobicContact CE1-CB 3.45Å; Y698-E796 VanDerWaalsContact CE1-CB 3.45Å; Y698-E796 HydrophobicContact CE1-CG 3.8Å; Y698-E796 HydrophobicContact CE2-CG 4.24Å; Y698-E796 PolarHBondContact OH-OE2 3.32Å; E796-C838 HydrophobicContact CB-CB 4.18Å; E796-C838 HydrophobicContact CG-CB 4.18Å; E796-C838 WeakPolarHBondContact O-CB 3.5Å
797	Y	96.3	Very high	92	Very high	10 Å²	10	49.3 Å²	49.3	4%	0.039	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	163.6	176.5	-63.7	-71.7	0	0	0	111	R684 H696 F697 A699 T795 L829 V831 P839 V841	R684-Y797 PolarHBondContact NH2-OH 3.35Å; H696-Y797 WeakPolarHBondContact CA-O 3.49Å; H696-Y797 WeakPolarHBondContact CB-O 3.37Å; F697-Y797 HydrophobicContact CE2-CD2 4.13Å; F697-Y797 HydrophobicContact CE2-CG 4.34Å; F697-Y797 HydrophobicContact CZ-CG 4.5Å; F697-Y797 PolarHBondContact N-O 2.93Å; F697-Y797 PolarHBondContact O-N 3.08Å; A699-Y797 HydrophobicContact CB-CD2 4.35Å; A699-Y797 HydrophobicContact CB-CE2 4.35Å; T795-Y797 HydrophobicContact CG2-CD2 4.45Å; T795-Y797 HydrophobicContact CG2-CE1 4.01Å; T795-Y797 HydrophobicContact CG2-CE2 3.71Å; T795-Y797 VanDerWaalsContact CG2-CZ 3.45Å; T795-Y797 WeakPolarHBondContact CG2-OH 3.34Å; T795-Y797 WeakPolarHBondContact O-CD2 3.48Å; Y797-L829 HydrophobicContact CD1-CD1 4.43Å; Y797-L829 HydrophobicContact CD2-CD1 3.73Å; Y797-L829 HydrophobicContact CE1-CD2 4.43Å; Y797-L829 HydrophobicContact CE2-CD1 3.83Å; Y797-L829 HydrophobicContact CG-CD1 4.04Å; Y797-V831 HydrophobicContact CE1-CG2 4.38Å; Y797-P839 HydrophobicContact CD1-CB 3.95Å; Y797-P839 HydrophobicContact CD1-CG 4.08Å; Y797-P839 HydrophobicContact CE1-CB 4.1Å; Y797-P839 HydrophobicContact CE1-CG 3.98Å; Y797-V841 HydrophobicContact CD1-CG1 3.39Å; Y797-V841 HydrophobicContact CE1-CG1 4Å; Y797-V841 HydrophobicContact CG-CG1 4.01Å; Y797-V841 HydrophobicContact CG-CG2 4.45Å
798	T	95.9	Very high	91.9	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	159.2	169.4	-169.9	0	0	0	0	110.1	H696 P839 H840 V841	H696-T798 PolarHBondContact CD2-OG1 3.03Å; T798-P839 PolarHBondContact N-O 3.31Å; T798-P839 VanDerWaalsContact N-O 3.14Å; T798-H840 HydrophobicContact CG2-CB 4.34Å; T798-H840 VanDerWaalsContact CG2-CE1 3.5Å; T798-H840 WeakPolarHBondContact CG2-CE1 3.37Å; T798-H840 CarbonylContact O-C 3.42Å; T798-H840 VanDerWaalsContact O-CA 3.31Å; T798-H840 WeakPolarHBondContact O-CA 3.41Å; T798-V841 PolarHBondContact O-N 3.42Å
799	F	95.9	Very high	92.1	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.013	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.3	-178.7	-70.2	-92.1	0	0	0	111.6	L695 F697 I802 V818 I822 H840 I843 V852	L695-F799 HydrophobicContact CD2-CD2 4.45Å; L695-F799 HydrophobicContact CG-CD2 4.25Å; L695-F799 HydrophobicContact CG-CE2 4.39Å; F697-F799 HydrophobicContact CD1-CD2 4.23Å; F697-F799 AromaticContact CD1-CE2 3.84Å; F697-F799 HydrophobicContact CD1-CE2 3.84Å; F697-F799 HydrophobicContact CD1-CZ 4.32Å; F697-F799 HydrophobicContact CE1-CD2 4.06Å; F697-F799 AromaticContact CE1-CE2 3.9Å; F697-F799 HydrophobicContact CE1-CE2 3.9Å; F697-F799 HydrophobicContact CE1-CG 4.43Å; F697-F799 HydrophobicContact CE1-CZ 4.14Å; F799-I802 HydrophobicContact CB-CD1 3.37Å; F799-I802 HydrophobicContact CB-CG1 3.54Å; F799-I802 HydrophobicContact CD1-CD1 4.37Å; F799-I802 HydrophobicContact CD2-CD1 4.2Å; F799-I802 HydrophobicContact CG-CD1 3.76Å; F799-I802 HydrophobicContact CG-CG1 4.46Å; F799-V818 HydrophobicContact CE2-CG1 4.04Å; F799-V818 HydrophobicContact CE2-CG2 4.3Å; F799-V818 HydrophobicContact CZ-CG1 3.81Å; F799-V818 HydrophobicContact CZ-CG2 4.14Å; F799-I822 HydrophobicContact CZ-CD1 4.06Å; F799-H840 PolarHBondContact O-ND1 2.82Å; F799-I843 HydrophobicContact CD1-CG2 4.05Å; F799-I843 HydrophobicContact CE1-CG2 3.37Å; F799-I843 HydrophobicContact CZ-CG2 4.17Å; F799-V852 HydrophobicContact CE1-CB 4.29Å; F799-V852 HydrophobicContact CE1-CG1 4.06Å; F799-V852 HydrophobicContact CZ-CG1 4.42Å
800	A	94.3	Very high	92.1	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	25%	0.25	C	S	.	.	S	Bend	trans	-79	149.1	170.8	0	0	0	0	0	110.9	I802 E832 Y833 H840 V841 T842	A800-I802 PolarHBondContact O-N 3.17Å; A800-I802 VanDerWaalsContact O-N 3.1Å; A800-E832 HydrophobicContact CB-CB 4.09Å; A800-E832 HydrophobicContact CB-CG 3.87Å; A800-Y833 HydrophobicContact CB-CE1 3.9Å; A800-H840 HydrophobicContact CB-CB 4.09Å; A800-V841 PolarHBondContact N-O 2.92Å; A800-T842 HydrophobicContact CB-CG2 4.39Å
801	F	94.9	Very high	92.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	65.8	9.1	169.3	-40.1	-61.5	0	0	0	115.9	E832 Y833 T842 V864 D865 R867 L872 M875 V876 Y879	F801-E832 HydrophobicContact CE2-CG 3.87Å; F801-E832 HydrophobicContact CZ-CB 4.18Å; F801-E832 HydrophobicContact CZ-CG 3.94Å; F801-Y833 HydrophobicContact CD1-CE1 4.2Å; F801-Y833 AromaticContact CE1-CE1 3.7Å; F801-Y833 HydrophobicContact CE1-CE1 3.7Å; F801-Y833 HydrophobicContact CZ-CE1 4.13Å; F801-Y833 PolarHBondContact N-OH 3.17Å; F801-T842 HydrophobicContact CD2-CG2 4.09Å; F801-T842 HydrophobicContact CE2-CG2 3.78Å; F801-V864 CarbonylContact O-C 3.5Å; F801-V864 VanDerWaalsContact O-CA 3.27Å; F801-V864 WeakPolarHBondContact O-CA 3.45Å; F801-V864 WeakPolarHBondContact O-CG1 3.33Å; F801-D865 PolarHBondContact O-N 2.78Å; F801-R867 HydrophobicContact CD1-CG 3.77Å; F801-R867 HydrophobicContact CE1-CB 4.5Å; F801-R867 HydrophobicContact CE1-CG 3.94Å; F801-L872 HydrophobicContact CE1-CB 4.08Å; F801-L872 HydrophobicContact CE1-CD1 3.99Å; F801-L872 HydrophobicContact CE1-CD2 4.48Å; F801-L872 HydrophobicContact CE1-CG 4.39Å; F801-L872 HydrophobicContact CZ-CB 4.41Å; F801-L872 HydrophobicContact CZ-CD1 4.39Å; F801-L872 HydrophobicContact CZ-CD2 4.13Å; F801-M875 HydrophobicContact CE2-CB 4.03Å; F801-M875 HydrophobicContact CE2-CE 4.39Å; F801-M875 HydrophobicContact CE2-CG 4.43Å; F801-M875 HydrophobicContact CZ-CB 4.09Å; F801-V876 HydrophobicContact CD1-CG2 4.03Å; F801-V876 HydrophobicContact CE1-CG2 4.21Å; F801-Y879 HydrophobicContact CB-CD1 3.6Å; F801-Y879 HydrophobicContact CB-CE1 3.7Å; F801-Y879 HydrophobicContact CB-CG 4.05Å; F801-Y879 HydrophobicContact CD2-CD2 4.47Å; F801-Y879 HydrophobicContact CD2-CE1 4.31Å; F801-Y879 HydrophobicContact CD2-CE2 4.06Å; F801-Y879 AromaticContact CD2-CZ 3.96Å
802	I	94.6	Very high	92.2	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.062	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.5	173	71.2	175.3	0	0	0	110.5	L695 F799 A800 L856 V857 V862 M863 Y879	L695-I802 HydrophobicContact CD2-CD1 3.97Å; F799-I802 HydrophobicContact CB-CD1 3.37Å; F799-I802 HydrophobicContact CB-CG1 3.54Å; F799-I802 HydrophobicContact CD1-CD1 4.37Å; F799-I802 HydrophobicContact CD2-CD1 4.2Å; F799-I802 HydrophobicContact CG-CD1 3.76Å; F799-I802 HydrophobicContact CG-CG1 4.46Å; A800-I802 PolarHBondContact O-N 3.17Å; A800-I802 VanDerWaalsContact O-N 3.1Å; I802-L856 HydrophobicContact CD1-CD1 4.03Å; I802-V857 HydrophobicContact CG2-CG2 3.71Å; I802-V862 HydrophobicContact CB-CB 4.39Å; I802-V862 HydrophobicContact CB-CG2 3.85Å; I802-V862 HydrophobicContact CD1-CG2 4.27Å; I802-V862 HydrophobicContact CG2-CG2 3.85Å; I802-M863 CarbonylContact C-O 3.5Å; I802-M863 VanDerWaalsContact CA-O 3.3Å; I802-M863 WeakPolarHBondContact CA-O 3.26Å; I802-Y879 HydrophobicContact CG2-CD1 4.28Å; I802-Y879 HydrophobicContact CG2-CE1 3.87Å
803	Q	91.5	Very high	92.1	Very high	81 Å²	81	49.8 Å²	49.8	38%	0.379	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.2	172.3	-65.3	-175.2	-18.7	0	0	109.5	P805 M863 D865	Q803-P805 WeakPolarHBondContact O-CD 3.49Å; Q803-M863 HydrophobicContact CB-CB 4.3Å; Q803-M863 PolarHBondContact N-O 3.48Å; Q803-D865 HydrophobicContact CG-CB 3.75Å
804	V	89.6	Confident	92	Very high	47 Å²	47	49.2 Å²	49.2	29%	0.285	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-66.5	125.7	172.2	-177.4	0	0	0	0	108.5	L695 Q806 R811	L695-V804 HydrophobicContact CB-CG1 4.27Å; L695-V804 HydrophobicContact CB-CG2 4.26Å; L695-V804 HydrophobicContact CD2-CG2 4.46Å; V804-Q806 PolarHBondContact O-N 2.96Å; V804-R811 HydrophobicContact CG1-CG 4.21Å
805	P	89.3	Confident	92	Very high	19 Å²	19	49.3 Å²	49.3	12%	0.123	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-58.1	132.4	176.6	-23.2	32.4	0	0	0	111.8	Q803 A810 R811 V814 V862	Q803-P805 WeakPolarHBondContact O-CD 3.49Å; P805-A810 HydrophobicContact CB-CB 3.98Å; P805-R811 HydrophobicContact CB-CB 4.15Å; P805-R811 PolarHBondContact O-NH1 3.05Å; P805-V814 HydrophobicContact CG-CG2 3.99Å; P805-V862 HydrophobicContact CG-CG1 4.18Å
806	Q	85	Confident	91.9	Very high	173 Å²	173	51.5 Å²	51.5	81%	0.808	27%	0.274	S	S	*	.	S	Bend	trans	-77.7	-30.6	176.3	-61.6	-61.7	-29.5	0	0	111.7	V804 R811	V804-Q806 PolarHBondContact O-N 2.96Å; Q806-R811 PolarHBondContact O-NH1 2.81Å
807	D	87.1	Confident	91.8	Very high	96 Å²	96	49.1 Å²	49.1	51%	0.513	26%	0.263	S	S	.	.	S	Bend	trans	-69.1	130.7	172.9	-179.5	-100.2	0	0	0	110.3	D809 A810 R811	D807-D809 PolarHBondContact OD1-N 3.15Å; D807-A810 HydrophobicContact CB-CB 4.01Å; D807-A810 WeakPolarHBondContact OD1-CB 3.24Å; D807-A810 PolarHBondContact OD1-N 2.8Å; D807-R811 VanDerWaalsContact O-CB 3.31Å; D807-R811 WeakPolarHBondContact O-CB 3.27Å; D807-R811 PolarHBondContact O-N 3.34Å
808	D	86.8	Confident	91.8	Very high	105 Å²	105	48.7 Å²	48.7	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-69.5	-38.1	-172	-71.5	-19.3	0	0	0	112.2	R811 A812	D808-R811 PolarHBondContact O-N 3.46Å; D808-R811 IonicContact OD1-CZ 3.38Å; D808-R811 VanDerWaalsContact OD1-CZ 3.25Å; D808-R811 IonicContact OD1-NH1 3.27Å; D808-R811 PolarHBondContact OD1-NH1 3.47Å; D808-R811 IonicContact OD1-NH2 2.69Å; D808-R811 PolarHBondContact OD1-NH2 3.09Å; D808-A812 WeakPolarHBondContact O-CB 3.5Å; D808-A812 PolarHBondContact O-N 2.78Å
809	D	87.3	Confident	91.7	Very high	126 Å²	126	50.5 Å²	50.5	67%	0.674	27%	0.273	S	S	*	.	H	α-helix	trans	-70.4	-45.1	179	-68.8	-18.4	0	0	0	110.3	D807 R811 A812 D813	D807-D809 PolarHBondContact OD1-N 3.15Å; D809-R811 VanDerWaalsContact C-N 3.3Å; D809-R811 PolarHBondContact O-N 3.05Å; D809-A812 PolarHBondContact O-N 2.89Å; D809-D813 PolarHBondContact O-N 2.83Å
810	A	87.4	Confident	91.7	Very high	23 Å²	23	58.9 Å²	58.9	19%	0.19	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-37.2	174.9	0	0	0	0	0	112.1	P805 D807 V814	P805-A810 HydrophobicContact CB-CB 3.98Å; D807-A810 HydrophobicContact CB-CB 4.01Å; D807-A810 WeakPolarHBondContact OD1-CB 3.24Å; D807-A810 PolarHBondContact OD1-N 2.8Å; A810-V814 VanDerWaalsContact O-CG2 3.23Å; A810-V814 WeakPolarHBondContact O-CG2 3.44Å; A810-V814 PolarHBondContact O-N 3.35Å
811	R	93	Very high	91.6	Very high	53 Å²	53	61.3 Å²	61.3	20%	0.2	32%	0.317	C	S	.	.	H	α-helix	trans	-67.5	-41.7	175.6	-171.6	170.2	65.7	-107.1	-3	111.3	D693 V804 P805 Q806 D807 D808 D809 V814 V815	D693-R811 VanDerWaalsContact O-CD 3.31Å; D693-R811 WeakPolarHBondContact O-CD 3.49Å; D693-R811 PolarHBondContact O-NE 2.94Å; D693-R811 VanDerWaalsContact O-NE 3.08Å; V804-R811 HydrophobicContact CG1-CG 4.21Å; P805-R811 HydrophobicContact CB-CB 4.15Å; P805-R811 PolarHBondContact O-NH1 3.05Å; Q806-R811 PolarHBondContact O-NH1 2.81Å; D807-R811 VanDerWaalsContact O-CB 3.31Å; D807-R811 WeakPolarHBondContact O-CB 3.27Å; D807-R811 PolarHBondContact O-N 3.34Å; D808-R811 PolarHBondContact O-N 3.46Å; D808-R811 IonicContact OD1-CZ 3.38Å; D808-R811 VanDerWaalsContact OD1-CZ 3.25Å; D808-R811 IonicContact OD1-NH1 3.27Å; D808-R811 PolarHBondContact OD1-NH1 3.47Å; D808-R811 IonicContact OD1-NH2 2.69Å; D808-R811 PolarHBondContact OD1-NH2 3.09Å; D809-R811 VanDerWaalsContact C-N 3.3Å; D809-R811 PolarHBondContact O-N 3.05Å; R811-V814 PolarHBondContact O-N 2.78Å; R811-V815 HydrophobicContact CG-CG2 4.48Å; R811-V815 VanDerWaalsContact O-CG2 3.29Å; R811-V815 WeakPolarHBondContact O-CG2 3.28Å; R811-V815 PolarHBondContact O-N 3.47Å
812	A	91.3	Very high	91.7	Very high	46 Å²	46	61.3 Å²	61.3	38%	0.38	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-45.4	176.5	0	0	0	0	0	111.8	D808 D809 V814 V815 D816	D808-A812 WeakPolarHBondContact O-CB 3.5Å; D808-A812 PolarHBondContact O-N 2.78Å; D809-A812 PolarHBondContact O-N 2.89Å; A812-V814 VanDerWaalsContact C-N 3.31Å; A812-V814 PolarHBondContact O-N 2.84Å; A812-V815 PolarHBondContact O-N 2.77Å; A812-V815 VanDerWaalsContact O-N 3.15Å; A812-D816 PolarHBondContact O-N 2.84Å
813	D	91.6	Very high	91.8	Very high	100 Å²	100	63 Å²	63	54%	0.535	33%	0.325	S	S	.	.	H	α-helix	trans	-58.5	-41.3	176.7	-77.3	-13.4	0	0	0	112.2	D809 C817	D809-D813 PolarHBondContact O-N 2.83Å; D813-C817 PolarHBondContact O-N 3.37Å; D813-C817 VanDerWaalsContact O-N 3.08Å
814	V	94.2	Very high	91.9	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-67.4	-44.6	176.2	-179	0	0	0	0	110.9	L695 P805 A810 R811 A812 D816 C817 V818 L856 L861 V862	L695-V814 HydrophobicContact CD1-CB 4.26Å; L695-V814 HydrophobicContact CD1-CG1 3.56Å; L695-V814 HydrophobicContact CD2-CG1 3.84Å; L695-V814 HydrophobicContact CG-CG1 4.37Å; P805-V814 HydrophobicContact CG-CG2 3.99Å; A810-V814 VanDerWaalsContact O-CG2 3.23Å; A810-V814 WeakPolarHBondContact O-CG2 3.44Å; A810-V814 PolarHBondContact O-N 3.35Å; R811-V814 PolarHBondContact O-N 2.78Å; A812-V814 VanDerWaalsContact C-N 3.31Å; A812-V814 PolarHBondContact O-N 2.84Å; V814-D816 VanDerWaalsContact C-N 3.33Å; V814-D816 PolarHBondContact O-N 2.88Å; V814-C817 WeakPolarHBondContact O-CB 2.95Å; V814-C817 PolarHBondContact O-N 3.35Å; V814-V818 HydrophobicContact CG1-CG2 4.44Å; V814-V818 WeakPolarHBondContact O-CG2 3.28Å; V814-V818 PolarHBondContact O-N 3.33Å; V814-L856 HydrophobicContact CG1-CD1 3.94Å; V814-L856 HydrophobicContact CG1-CD2 4.24Å; V814-L861 HydrophobicContact CG2-CB 3.88Å; V814-V862 HydrophobicContact CB-CG1 4.39Å; V814-V862 HydrophobicContact CG1-CG1 3.77Å; V814-V862 HydrophobicContact CG2-CG1 3.65Å
815	V	95	Very high	92.2	Very high	11 Å²	11	63.5 Å²	63.5	7%	0.067	33%	0.331	C	S	.	.	H	α-helix	trans	-59.6	-45.5	177.8	168.4	0	0	0	0	110.3	I691 L695 R811 A812 C817 V818 V819	I691-V815 HydrophobicContact CG2-CG1 4.23Å; L695-V815 HydrophobicContact CD1-CB 4.5Å; L695-V815 HydrophobicContact CD1-CG2 3.68Å; R811-V815 HydrophobicContact CG-CG2 4.48Å; R811-V815 VanDerWaalsContact O-CG2 3.29Å; R811-V815 WeakPolarHBondContact O-CG2 3.28Å; R811-V815 PolarHBondContact O-N 3.47Å; A812-V815 PolarHBondContact O-N 2.77Å; A812-V815 VanDerWaalsContact O-N 3.15Å; V815-C817 VanDerWaalsContact C-N 3.3Å; V815-C817 PolarHBondContact O-N 2.85Å; V815-V818 PolarHBondContact O-N 3Å; V815-V819 HydrophobicContact CG1-CG2 4.15Å; V815-V819 WeakPolarHBondContact O-CB 3.34Å; V815-V819 VanDerWaalsContact O-CG2 3.28Å; V815-V819 WeakPolarHBondContact O-CG2 3.31Å; V815-V819 PolarHBondContact O-N 2.6Å
816	D	93.3	Very high	92.5	Very high	106 Å²	106	67.7 Å²	67.7	57%	0.567	35%	0.349	S	S	*	.	H	α-helix	trans	-61.5	-38.6	177.3	-79.1	-13.1	0	0	0	112	A812 V814 R820	A812-D816 PolarHBondContact O-N 2.84Å; V814-D816 VanDerWaalsContact C-N 3.33Å; V814-D816 PolarHBondContact O-N 2.88Å; D816-R820 WeakPolarHBondContact O-CB 3.49Å; D816-R820 PolarHBondContact O-N 3.1Å
817	C	93.7	Very high	93.1	Very high	10 Å²	10	59.4 Å²	59.4	7%	0.068	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-51.6	173.2	-163.9	0	0	0	0	111	D813 V814 V815 V819 R820 D821 L856 L861	D813-C817 PolarHBondContact O-N 3.37Å; D813-C817 VanDerWaalsContact O-N 3.08Å; V814-C817 WeakPolarHBondContact O-CB 2.95Å; V814-C817 PolarHBondContact O-N 3.35Å; V815-C817 VanDerWaalsContact C-N 3.3Å; V815-C817 PolarHBondContact O-N 2.85Å; C817-V819 VanDerWaalsContact C-N 3.34Å; C817-V819 PolarHBondContact O-N 2.94Å; C817-R820 PolarHBondContact O-N 2.94Å; C817-R820 PolarHBondContact SG-NH2 3.48Å; C817-D821 VanDerWaalsContact O-CB 3.3Å; C817-D821 WeakPolarHBondContact O-CB 3.24Å; C817-D821 PolarHBondContact O-N 3.33Å; C817-D821 PolarHBondContact SG-OD2 2.98Å; C817-L856 HydrophobicContact CB-CD2 4.24Å; C817-L861 HydrophobicContact CB-CD1 4.31Å
818	V	95.6	Very high	93.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.5	-38.7	-179.1	175.8	0	0	0	0	111.7	I691 L695 F799 V814 V815 D821 I822 L856	I691-V818 HydrophobicContact CD1-CG1 3.81Å; I691-V818 HydrophobicContact CG1-CG1 4.12Å; I691-V818 HydrophobicContact CG2-CB 4.48Å; I691-V818 HydrophobicContact CG2-CG1 4.05Å; L695-V818 HydrophobicContact CD1-CG2 4.2Å; F799-V818 HydrophobicContact CE2-CG1 4.04Å; F799-V818 HydrophobicContact CE2-CG2 4.3Å; F799-V818 HydrophobicContact CZ-CG1 3.81Å; F799-V818 HydrophobicContact CZ-CG2 4.14Å; V814-V818 HydrophobicContact CG1-CG2 4.44Å; V814-V818 WeakPolarHBondContact O-CG2 3.28Å; V814-V818 PolarHBondContact O-N 3.33Å; V815-V818 PolarHBondContact O-N 3Å; V818-D821 PolarHBondContact O-N 2.85Å; V818-I822 HydrophobicContact CG1-CD1 3.68Å; V818-I822 HydrophobicContact CG1-CG1 3.62Å; V818-I822 WeakPolarHBondContact O-CG1 3.35Å; V818-I822 PolarHBondContact O-N 3.38Å; V818-L856 HydrophobicContact CG2-CD1 3.77Å; V818-L856 HydrophobicContact CG2-CD2 4.19Å
819	V	95.2	Very high	94.1	Very high	47 Å²	47	51.5 Å²	51.5	29%	0.285	27%	0.268	S	S	.	.	H	α-helix	trans	-58.7	-50.6	174.5	161.2	0	0	0	0	110.6	I691 V815 C817 D821 Q823	I691-V819 HydrophobicContact CB-CG2 3.74Å; I691-V819 HydrophobicContact CG1-CG2 3.93Å; I691-V819 HydrophobicContact CG2-CG2 4.16Å; V815-V819 HydrophobicContact CG1-CG2 4.15Å; V815-V819 WeakPolarHBondContact O-CB 3.34Å; V815-V819 VanDerWaalsContact O-CG2 3.28Å; V815-V819 WeakPolarHBondContact O-CG2 3.31Å; V815-V819 PolarHBondContact O-N 2.6Å; C817-V819 VanDerWaalsContact C-N 3.34Å; C817-V819 PolarHBondContact O-N 2.94Å; V819-D821 VanDerWaalsContact C-N 3.27Å; V819-D821 PolarHBondContact O-N 3Å; V819-Q823 HydrophobicContact CG1-CB 4.48Å; V819-Q823 VanDerWaalsContact CG1-OE1 3.3Å; V819-Q823 VanDerWaalsContact O-CB 3.24Å; V819-Q823 WeakPolarHBondContact O-CB 3.43Å; V819-Q823 PolarHBondContact O-N 3.29Å
820	R	94.6	Very high	94.5	Very high	180 Å²	180	45.8 Å²	45.8	68%	0.679	24%	0.237	S	C	*	.	H	α-helix	trans	-61.4	-38	178.9	-178.4	-176	64.7	-166.4	-7.6	112.2	D816 C817	D816-R820 WeakPolarHBondContact O-CB 3.49Å; D816-R820 PolarHBondContact O-N 3.1Å; C817-R820 PolarHBondContact O-N 2.94Å; C817-R820 PolarHBondContact SG-NH2 3.48Å
821	D	93.6	Very high	94.8	Very high	51 Å²	51	47.7 Å²	47.7	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-87	-38.8	-168.3	-65	-8.4	0	0	0	112.5	C817 V818 V819 F845	C817-D821 VanDerWaalsContact O-CB 3.3Å; C817-D821 WeakPolarHBondContact O-CB 3.24Å; C817-D821 PolarHBondContact O-N 3.33Å; C817-D821 PolarHBondContact SG-OD2 2.98Å; V818-D821 PolarHBondContact O-N 2.85Å; V819-D821 VanDerWaalsContact C-N 3.27Å; V819-D821 PolarHBondContact O-N 3Å; D821-F845 HydrophobicContact CB-CE1 3.93Å; D821-F845 HydrophobicContact CB-CZ 4.06Å
822	I	95.8	Very high	94.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-130.1	-12.3	-171.8	65.2	162	0	0	0	116.4	V688 I691 F799 V818 N824 S825 I843 F845 V852	V688-I822 WeakPolarHBondContact CB-O 3.48Å; V688-I822 HydrophobicContact CG1-CD1 4.32Å; V688-I822 HydrophobicContact CG1-CG1 4.5Å; V688-I822 HydrophobicContact CG2-CD1 4.43Å; I691-I822 HydrophobicContact CD1-CD1 4.21Å; I691-I822 HydrophobicContact CD1-CG1 4.23Å; F799-I822 HydrophobicContact CZ-CD1 4.06Å; V818-I822 HydrophobicContact CG1-CD1 3.68Å; V818-I822 HydrophobicContact CG1-CG1 3.62Å; V818-I822 WeakPolarHBondContact O-CG1 3.35Å; V818-I822 PolarHBondContact O-N 3.38Å; I822-N824 PolarHBondContact O-N 3.04Å; I822-S825 WeakPolarHBondContact CA-OG 3.36Å; I822-S825 PolarHBondContact O-N 3.35Å; I822-S825 PolarHBondContact O-OG 2.86Å; I822-I843 HydrophobicContact CD1-CD1 3.95Å; I822-I843 HydrophobicContact CD1-CG2 4.47Å; I822-F845 HydrophobicContact CG2-CD1 4.2Å; I822-F845 HydrophobicContact CG2-CE1 3.78Å; I822-V852 HydrophobicContact CG2-CG1 4.19Å; I822-V852 HydrophobicContact CG2-CG2 3.85Å
823	Q	96.3	Very high	94.4	Very high	49 Å²	49	45 Å²	45	23%	0.229	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	136.5	179.4	-164.1	177.5	11.2	0	0	111.1	T689 E690 I691 V819 S825	T689-Q823 PolarHBondContact O-NE2 3.47Å; E690-Q823 PolarHBondContact OE2-NE2 3.21Å; E690-Q823 VanDerWaalsContact OE2-NE2 3.13Å; I691-Q823 HydrophobicContact CG1-CB 3.99Å; I691-Q823 HydrophobicContact CG1-CG 4.21Å; V819-Q823 HydrophobicContact CG1-CB 4.48Å; V819-Q823 VanDerWaalsContact CG1-OE1 3.3Å; V819-Q823 VanDerWaalsContact O-CB 3.24Å; V819-Q823 WeakPolarHBondContact O-CB 3.43Å; V819-Q823 PolarHBondContact O-N 3.29Å; Q823-S825 PolarHBondContact O-N 3.34Å
824	N	95.2	Very high	94.1	Very high	99 Å²	99	45.5 Å²	45.5	53%	0.529	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	29.6	-176.4	-56.7	-56.2	0	0	0	114.1	Y687 V688 I822	Y687-N824 PolarHBondContact OH-O 2.81Å; V688-N824 VanDerWaalsContact O-CA 3.24Å; V688-N824 WeakPolarHBondContact O-CA 3.35Å; V688-N824 PolarHBondContact O-N 3.13Å; I822-N824 PolarHBondContact O-N 3.04Å
825	S	95.3	Very high	93.2	Very high	39 Å²	39	46.8 Å²	46.8	27%	0.273	25%	0.252	S	S	.	.	S	Bend	trans	-124.9	160.6	174.4	82.1	0	0	0	0	112	V688 I822 Q823	V688-S825 PolarHBondContact N-O 2.88Å; I822-S825 WeakPolarHBondContact CA-OG 3.36Å; I822-S825 PolarHBondContact O-N 3.35Å; I822-S825 PolarHBondContact O-OG 2.86Å; Q823-S825 PolarHBondContact O-N 3.34Å
826	Q	96.4	Very high	92.3	Very high	106 Å²	106	51.6 Å²	51.6	50%	0.495	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.3	173.8	-171.3	-177.9	-62.8	0	0	109.6	V686 Y687 V702	V686-Q826 CarbonylContact O-C 3.59Å; V686-Q826 WeakPolarHBondContact O-CA 3.31Å; Y687-Q826 HydrophobicContact CD2-CB 4.32Å; V702-Q826 HydrophobicContact CG2-CG 4.05Å
827	C	97	Very high	91.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	169.8	179.4	-57.4	0	0	0	0	111	P685 V686 V688 I843 Q844	P685-C827 WeakPolarHBondContact CA-O 3.48Å; V686-C827 HydrophobicContact CG2-CB 4.47Å; V686-C827 PolarHBondContact N-O 3Å; V686-C827 PolarHBondContact O-N 3Å; V688-C827 HydrophobicContact CG2-CB 4.35Å; C827-I843 HydrophobicContact CB-CD1 3.62Å; C827-I843 HydrophobicContact CB-CG1 3.55Å; C827-Q844 WeakPolarHBondContact CA-O 3.49Å; C827-Q844 WeakPolarHBondContact CB-O 3.33Å
828	L	97.2	Very high	91	Very high	34 Å²	34	51.8 Å²	51.8	18%	0.178	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.4	170.7	-66.8	176.9	0	0	0	109.1	Y683 R684 P685 I843 Q844 K849	Y683-L828 HydrophobicContact CD1-CB 4.11Å; Y683-L828 HydrophobicContact CG-CB 4.44Å; R684-L828 WeakPolarHBondContact O-CA 3.43Å; P685-L828 HydrophobicContact CB-CD2 4.32Å; L828-I843 CarbonylContact O-C 3.6Å; L828-I843 WeakPolarHBondContact O-CA 3.29Å; L828-Q844 HydrophobicContact CB-CB 4.17Å; L828-Q844 PolarHBondContact N-O 3.33Å; L828-Q844 PolarHBondContact O-N 3.02Å; L828-K849 HydrophobicContact CD1-CG 4.38Å
829	L	97.3	Very high	90.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.7	-175.6	179.2	156.3	0	0	0	110.8	Y683 R684 V686 F697 Y797 V831 V841	Y683-L829 WeakPolarHBondContact CA-O 3.43Å; R684-L829 PolarHBondContact N-O 3.42Å; R684-L829 PolarHBondContact O-N 3.16Å; V686-L829 HydrophobicContact CB-CB 4.43Å; V686-L829 HydrophobicContact CG1-CB 3.98Å; V686-L829 HydrophobicContact CG1-CD1 4.43Å; V686-L829 HydrophobicContact CG2-CB 3.55Å; V686-L829 HydrophobicContact CG2-CD1 4.03Å; V686-L829 HydrophobicContact CG2-CG 4.45Å; F697-L829 HydrophobicContact CE2-CD1 4.03Å; F697-L829 HydrophobicContact CZ-CD1 4.29Å; Y797-L829 HydrophobicContact CD1-CD1 4.43Å; Y797-L829 HydrophobicContact CD2-CD1 3.73Å; Y797-L829 HydrophobicContact CE1-CD2 4.43Å; Y797-L829 HydrophobicContact CE2-CD1 3.83Å; Y797-L829 HydrophobicContact CG-CD1 4.04Å; L829-V831 HydrophobicContact CD2-CG2 3.92Å; L829-V841 HydrophobicContact CD1-CB 4.35Å; L829-V841 HydrophobicContact CD1-CG1 4.36Å; L829-V841 HydrophobicContact CD1-CG2 3.95Å; L829-V841 HydrophobicContact CD2-CB 4.22Å; L829-V841 HydrophobicContact CD2-CG1 4.01Å; L829-V841 HydrophobicContact CG-CB 4.01Å; L829-V841 HydrophobicContact CG-CG1 4.24Å; L829-V841 HydrophobicContact CG-CG2 4.03Å
830	N	95	Very high	90.8	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.032	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.5	170.6	175.5	67.7	0	0	0	110.2	N682 Y683 E832 V841 T842	N682-N830 PolarHBondContact N-OD1 3.42Å; N682-N830 PolarHBondContact O-OD1 2.88Å; Y683-N830 HydrophobicContact CD1-CB 3.5Å; Y683-N830 VanDerWaalsContact CD1-CB 3.5Å; Y683-N830 HydrophobicContact CD2-CB 4.42Å; Y683-N830 HydrophobicContact CE1-CB 3.4Å; Y683-N830 VanDerWaalsContact CE1-CB 3.4Å; Y683-N830 HydrophobicContact CE2-CB 4.38Å; Y683-N830 HydrophobicContact CG-CB 4.02Å; N830-E832 PolarHBondContact ND2-OE1 2.86Å; N830-E832 PolarHBondContact O-N 3.41Å; N830-V841 CarbonylContact O-C 3.45Å; N830-V841 VanDerWaalsContact O-CA 3.22Å; N830-V841 WeakPolarHBondContact O-CA 3.41Å; N830-V841 VanDerWaalsContact O-CB 3.27Å; N830-V841 WeakPolarHBondContact O-CB 3.3Å; N830-T842 PolarHBondContact N-O 2.87Å; N830-T842 PolarHBondContact O-N 2.87Å
831	V	93.6	Very high	90.9	Very high	63 Å²	63	44.6 Å²	44.6	38%	0.382	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.8	175.6	-178.4	0	0	0	0	109.2	Y797 L829 P839 V841	Y797-V831 HydrophobicContact CE1-CG2 4.38Å; L829-V831 HydrophobicContact CD2-CG2 3.92Å; V831-P839 HydrophobicContact CG1-CB 3.9Å; V831-V841 HydrophobicContact CB-CG1 4.46Å; V831-V841 HydrophobicContact CG2-CG1 4.06Å
832	E	90	Very high	91	Very high	21 Å²	21	42.2 Å²	42.2	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-49	-179.4	-61.3	-67.8	167.6	0	0	111.2	R679 A800 F801 N830 H840 T842	R679-E832 IonicContact CZ-OE1 3.39Å; R679-E832 IonicContact CZ-OE2 3.14Å; R679-E832 IonicContact NE-OE1 3.71Å; R679-E832 PolarHBondContact NE-OE1 3.21Å; R679-E832 IonicContact NE-OE2 3.03Å; R679-E832 PolarHBondContact NE-OE2 3.03Å; R679-E832 VanDerWaalsContact NE-OE2 3.09Å; R679-E832 IonicContact NH2-OE1 2.76Å; R679-E832 PolarHBondContact NH2-OE1 2.8Å; R679-E832 IonicContact NH2-OE2 2.6Å; A800-E832 HydrophobicContact CB-CB 4.09Å; A800-E832 HydrophobicContact CB-CG 3.87Å; F801-E832 HydrophobicContact CE2-CG 3.87Å; F801-E832 HydrophobicContact CZ-CB 4.18Å; F801-E832 HydrophobicContact CZ-CG 3.94Å; N830-E832 PolarHBondContact ND2-OE1 2.86Å; N830-E832 PolarHBondContact O-N 3.41Å; E832-H840 PolarHBondContact N-O 3.24Å; E832-T842 HydrophobicContact CG-CG2 3.83Å; E832-T842 VanDerWaalsContact OE1-CG2 3.31Å; E832-T842 WeakPolarHBondContact OE1-CG2 3.46Å; E832-T842 PolarHBondContact OE1-OG1 3.15Å
833	Y	87.5	Confident	91.1	Very high	23 Å²	23	42.2 Å²	42.2	9%	0.09	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	160.4	179.6	48.1	-88.4	0	0	0	112.2	A800 F801 H840 R867 L872	A800-Y833 HydrophobicContact CB-CE1 3.9Å; F801-Y833 HydrophobicContact CD1-CE1 4.2Å; F801-Y833 AromaticContact CE1-CE1 3.7Å; F801-Y833 HydrophobicContact CE1-CE1 3.7Å; F801-Y833 HydrophobicContact CZ-CE1 4.13Å; F801-Y833 PolarHBondContact N-OH 3.17Å; Y833-H840 HydrophobicContact CD2-CB 3.66Å; Y833-H840 AromaticContact CD2-CG 3.88Å; Y833-H840 HydrophobicContact CE1-CB 4.22Å; Y833-H840 HydrophobicContact CE2-CB 3.31Å; Y833-H840 AromaticContact CE2-CD2 3.83Å; Y833-H840 AromaticContact CE2-CG 3.29Å; Y833-H840 AromaticContact CE2-ND1 3.57Å; Y833-H840 HydrophobicContact CG-CB 4.25Å; Y833-H840 AromaticContact CZ-CG 3.89Å; Y833-H840 AromaticContact CZ-ND1 3.95Å; Y833-H840 PolarHBondContact N-O 2.86Å; Y833-H840 PolarHBondContact O-N 2.79Å; Y833-R867 HydrophobicContact CE1-CG 4.15Å; Y833-L872 HydrophobicContact CD1-CD1 3.6Å; Y833-L872 HydrophobicContact CE1-CD1 3.99Å
834	S	85.1	Confident	91.1	Very high	110 Å²	110	41.5 Å²	41.5	77%	0.769	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.8	176.1	-60.5	0	0	0	0	110.6
835	G	75.7	Confident	91.1	Very high	27 Å²	27	39.2 Å²	39.2	28%	0.278	24%	0.242	S	C	.	.			trans	-92.5	176.8	170.8	0	0	0	0	0	112.7	T837 C838	G835-T837 VanDerWaalsContact C-N 3.31Å; G835-C838 WeakPolarHBondContact CA-O 3.4Å; G835-C838 PolarHBondContact N-O 2.84Å; G835-C838 VanDerWaalsContact N-O 3.11Å
836	A	74.3	Confident	90.8	Very high	113 Å²	113	39.4 Å²	39.4	93%	0.934	25%	0.25	S	S	*	.	S	Bend	trans	-69.4	-28.8	177.9	0	0	0	0	0	113.1
837	T	75.3	Confident	90.4	Very high	110 Å²	110	40.6 Å²	40.6	68%	0.675	26%	0.26	S	S	*	.	S	Bend	trans	-110.6	-51.5	-175.8	46.6	0	0	0	0	111.9	G835	G835-T837 VanDerWaalsContact C-N 3.31Å
838	C	86.3	Confident	90.2	Very high	9 Å²	9	44 Å²	44	6%	0.061	28%	0.281	C	S	.	.	S	Bend	trans	-144.7	165.4	179.6	59.3	0	0	0	0	110.8	E796 G835	E796-C838 HydrophobicContact CB-CB 4.18Å; E796-C838 HydrophobicContact CG-CB 4.18Å; E796-C838 WeakPolarHBondContact O-CB 3.5Å; G835-C838 WeakPolarHBondContact CA-O 3.4Å; G835-C838 PolarHBondContact N-O 2.84Å; G835-C838 VanDerWaalsContact N-O 3.11Å
839	P	92.4	Very high	90	Very high	38 Å²	38	48.6 Å²	48.6	25%	0.247	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	142	176.4	-17.1	31.3	0	0	0	111.9	Y797 T798 V831 V841	Y797-P839 HydrophobicContact CD1-CB 3.95Å; Y797-P839 HydrophobicContact CD1-CG 4.08Å; Y797-P839 HydrophobicContact CE1-CB 4.1Å; Y797-P839 HydrophobicContact CE1-CG 3.98Å; T798-P839 PolarHBondContact N-O 3.31Å; T798-P839 VanDerWaalsContact N-O 3.14Å; V831-P839 HydrophobicContact CG1-CB 3.9Å; P839-V841 HydrophobicContact CB-CG1 4.42Å
840	H	94.1	Very high	89.9	Confident	39 Å²	39	53.2 Å²	53.2	18%	0.181	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.2	172	-72.3	-118.9	0	0	0	109.7	T798 F799 A800 E832 Y833	T798-H840 HydrophobicContact CG2-CB 4.34Å; T798-H840 VanDerWaalsContact CG2-CE1 3.5Å; T798-H840 WeakPolarHBondContact CG2-CE1 3.37Å; T798-H840 CarbonylContact O-C 3.42Å; T798-H840 VanDerWaalsContact O-CA 3.31Å; T798-H840 WeakPolarHBondContact O-CA 3.41Å; F799-H840 PolarHBondContact O-ND1 2.82Å; A800-H840 HydrophobicContact CB-CB 4.09Å; E832-H840 PolarHBondContact N-O 3.24Å; Y833-H840 HydrophobicContact CD2-CB 3.66Å; Y833-H840 AromaticContact CD2-CG 3.88Å; Y833-H840 HydrophobicContact CE1-CB 4.22Å; Y833-H840 HydrophobicContact CE2-CB 3.31Å; Y833-H840 AromaticContact CE2-CD2 3.83Å; Y833-H840 AromaticContact CE2-CG 3.29Å; Y833-H840 AromaticContact CE2-ND1 3.57Å; Y833-H840 HydrophobicContact CG-CB 4.25Å; Y833-H840 AromaticContact CZ-CG 3.89Å; Y833-H840 AromaticContact CZ-ND1 3.95Å; Y833-H840 PolarHBondContact N-O 2.86Å; Y833-H840 PolarHBondContact O-N 2.79Å
841	V	96.1	Very high	90	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.8	-168	-49.4	0	0	0	0	112	F697 Y797 T798 A800 L829 N830 V831 P839	F697-V841 HydrophobicContact CE1-CG2 4.04Å; F697-V841 HydrophobicContact CE2-CG2 4.46Å; F697-V841 HydrophobicContact CZ-CG2 3.45Å; F697-V841 VanDerWaalsContact CZ-CG2 3.45Å; Y797-V841 HydrophobicContact CD1-CG1 3.39Å; Y797-V841 HydrophobicContact CE1-CG1 4Å; Y797-V841 HydrophobicContact CG-CG1 4.01Å; Y797-V841 HydrophobicContact CG-CG2 4.45Å; T798-V841 PolarHBondContact O-N 3.42Å; A800-V841 PolarHBondContact N-O 2.92Å; L829-V841 HydrophobicContact CD1-CB 4.35Å; L829-V841 HydrophobicContact CD1-CG1 4.36Å; L829-V841 HydrophobicContact CD1-CG2 3.95Å; L829-V841 HydrophobicContact CD2-CB 4.22Å; L829-V841 HydrophobicContact CD2-CG1 4.01Å; L829-V841 HydrophobicContact CG-CB 4.01Å; L829-V841 HydrophobicContact CG-CG1 4.24Å; L829-V841 HydrophobicContact CG-CG2 4.03Å; N830-V841 CarbonylContact O-C 3.45Å; N830-V841 VanDerWaalsContact O-CA 3.22Å; N830-V841 WeakPolarHBondContact O-CA 3.41Å; N830-V841 VanDerWaalsContact O-CB 3.27Å; N830-V841 WeakPolarHBondContact O-CB 3.3Å; V831-V841 HydrophobicContact CB-CG1 4.46Å; V831-V841 HydrophobicContact CG2-CG1 4.06Å; P839-V841 HydrophobicContact CB-CG1 4.42Å
842	T	95.9	Very high	90.1	Very high	1 Å²	1	51 Å²	51	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.1	159.6	46.8	0	0	0	0	108.3	A800 F801 N830 E832 M875	A800-T842 HydrophobicContact CB-CG2 4.39Å; F801-T842 HydrophobicContact CD2-CG2 4.09Å; F801-T842 HydrophobicContact CE2-CG2 3.78Å; N830-T842 PolarHBondContact N-O 2.87Å; N830-T842 PolarHBondContact O-N 2.87Å; E832-T842 HydrophobicContact CG-CG2 3.83Å; E832-T842 VanDerWaalsContact OE1-CG2 3.31Å; E832-T842 WeakPolarHBondContact OE1-CG2 3.46Å; E832-T842 PolarHBondContact OE1-OG1 3.15Å; T842-M875 HydrophobicContact CG2-CE 4.49Å
843	I	96.9	Very high	90.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.7	-179.6	-169.7	167.1	0	0	0	108.9	V688 F697 F799 I822 C827 L828 V852	V688-I843 HydrophobicContact CG2-CD1 3.71Å; F697-I843 HydrophobicContact CE2-CD1 3.98Å; F697-I843 HydrophobicContact CZ-CD1 4.11Å; F799-I843 HydrophobicContact CD1-CG2 4.05Å; F799-I843 HydrophobicContact CE1-CG2 3.37Å; F799-I843 HydrophobicContact CZ-CG2 4.17Å; I822-I843 HydrophobicContact CD1-CD1 3.95Å; I822-I843 HydrophobicContact CD1-CG2 4.47Å; C827-I843 HydrophobicContact CB-CD1 3.62Å; C827-I843 HydrophobicContact CB-CG1 3.55Å; L828-I843 CarbonylContact O-C 3.6Å; L828-I843 WeakPolarHBondContact O-CA 3.29Å; I843-V852 HydrophobicContact CG2-CB 3.74Å; I843-V852 HydrophobicContact CG2-CG1 4.41Å; I843-V852 HydrophobicContact CG2-CG2 3.92Å; I843-V852 WeakPolarHBondContact O-CG2 3.42Å; I843-V852 PolarHBondContact O-N 3.24Å
844	Q	97	Very high	90.8	Very high	33 Å²	33	49.3 Å²	49.3	15%	0.154	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	145.2	-178.6	-65.2	-178.4	-29.2	0	0	110.7	Y683 C827 L828 K849 D850	Y683-Q844 HydrophobicContact CD1-CG 4.34Å; Y683-Q844 HydrophobicContact CE1-CG 3.68Å; Y683-Q844 PolarHBondContact OH-NE2 2.84Å; C827-Q844 WeakPolarHBondContact CA-O 3.49Å; C827-Q844 WeakPolarHBondContact CB-O 3.33Å; L828-Q844 HydrophobicContact CB-CB 4.17Å; L828-Q844 PolarHBondContact N-O 3.33Å; L828-Q844 PolarHBondContact O-N 3.02Å; Q844-K849 VanDerWaalsContact CD-O 3.22Å; Q844-K849 WeakPolarHBondContact CG-O 3.44Å; Q844-K849 PolarHBondContact NE2-O 3.37Å; Q844-D850 WeakPolarHBondContact CA-O 3.25Å
845	F	95.1	Very high	91.3	Very high	52 Å²	52	45.2 Å²	45.2	23%	0.228	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	140	169.5	-65.5	-72.4	0	0	0	110.7	D821 I822 D847 K849 D850 V852	D821-F845 HydrophobicContact CB-CE1 3.93Å; D821-F845 HydrophobicContact CB-CZ 4.06Å; I822-F845 HydrophobicContact CG2-CD1 4.2Å; I822-F845 HydrophobicContact CG2-CE1 3.78Å; F845-D847 PolarHBondContact O-N 3.48Å; F845-K849 VanDerWaalsContact O-CA 3.22Å; F845-K849 WeakPolarHBondContact O-CA 3.46Å; F845-K849 PolarHBondContact O-N 2.95Å; F845-K849 VanDerWaalsContact O-N 3.07Å; F845-D850 HydrophobicContact CD2-CB 4.05Å; F845-D850 WeakPolarHBondContact CD2-O 3.48Å; F845-D850 PolarHBondContact N-O 2.95Å; F845-D850 VanDerWaalsContact N-O 3.11Å; F845-V852 HydrophobicContact CD1-CG2 4.28Å; F845-V852 HydrophobicContact CD2-CG2 4Å; F845-V852 HydrophobicContact CE1-CG2 4.04Å; F845-V852 HydrophobicContact CE2-CG2 3.76Å; F845-V852 HydrophobicContact CG-CG2 4.27Å; F845-V852 HydrophobicContact CZ-CG1 4.46Å; F845-V852 HydrophobicContact CZ-CG2 3.79Å
846	G	88.1	Confident	92.2	Very high	43 Å²	43	44.1 Å²	44.1	44%	0.443	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.8	-175.9	0	0	0	0	0	114
847	D	89	Confident	93.3	Very high	130 Å²	130	38.7 Å²	38.7	70%	0.695	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-58.7	-176.7	59.6	-21.5	0	0	0	112.9	F845	F845-D847 PolarHBondContact O-N 3.48Å
848	T	93	Very high	94.2	Very high	73 Å²	73	38.9 Å²	38.9	45%	0.448	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-22.8	-176.2	73.7	0	0	0	0	112.8	D850	T848-D850 VanDerWaalsContact CB-OD2 3.22Å; T848-D850 WeakPolarHBondContact CB-OD2 3.42Å; T848-D850 PolarHBondContact O-N 2.86Å; T848-D850 WeakPolarHBondContact OG1-CB 3.4Å; T848-D850 VanDerWaalsContact OG1-CG 3.29Å; T848-D850 PolarHBondContact OG1-N 2.89Å; T848-D850 PolarHBondContact OG1-OD2 2.56Å
849	K	93.1	Very high	94.5	Very high	129 Å²	129	42.8 Å²	42.8	56%	0.561	23%	0.23	S	C	*	.			trans	61.2	17.1	-171.9	-52.4	-177.2	179.6	-179.6	0	114.3	L828 Q844 F845	L828-K849 HydrophobicContact CD1-CG 4.38Å; Q844-K849 VanDerWaalsContact CD-O 3.22Å; Q844-K849 WeakPolarHBondContact CG-O 3.44Å; Q844-K849 PolarHBondContact NE2-O 3.37Å; F845-K849 VanDerWaalsContact O-CA 3.22Å; F845-K849 WeakPolarHBondContact O-CA 3.46Å; F845-K849 PolarHBondContact O-N 2.95Å; F845-K849 VanDerWaalsContact O-N 3.07Å
850	D	94.7	Very high	94.5	Very high	97 Å²	97	41 Å²	41	52%	0.519	22%	0.219	S	C	.	.			trans	-69.8	140.7	173.9	-62.2	-46.9	0	0	0	110.2	Q844 F845 T848 V852	Q844-D850 WeakPolarHBondContact CA-O 3.25Å; F845-D850 HydrophobicContact CD2-CB 4.05Å; F845-D850 WeakPolarHBondContact CD2-O 3.48Å; F845-D850 PolarHBondContact N-O 2.95Å; F845-D850 VanDerWaalsContact N-O 3.11Å; T848-D850 VanDerWaalsContact CB-OD2 3.22Å; T848-D850 WeakPolarHBondContact CB-OD2 3.42Å; T848-D850 PolarHBondContact O-N 2.86Å; T848-D850 WeakPolarHBondContact OG1-CB 3.4Å; T848-D850 VanDerWaalsContact OG1-CG 3.29Å; T848-D850 PolarHBondContact OG1-N 2.89Å; T848-D850 PolarHBondContact OG1-OD2 2.56Å; D850-V852 PolarHBondContact O-N 2.95Å
851	D	96.3	Very high	94.4	Very high	20 Å²	20	40 Å²	40	11%	0.107	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-73.1	117.3	176.9	-178.8	-23.8	0	0	0	110	G853 L854 G855 Y879	D851-G853 PolarHBondContact OD1-N 3.19Å; D851-L854 HydrophobicContact CB-CB 3.79Å; D851-L854 PolarHBondContact O-N 3.22Å; D851-L854 PolarHBondContact OD1-N 3.19Å; D851-L854 VanDerWaalsContact OD1-N 3.09Å; D851-G855 PolarHBondContact O-N 2.63Å; D851-Y879 PolarHBondContact OD1-OH 3.26Å; D851-Y879 PolarHBondContact OD2-OH 2.9Å
852	V	96.3	Very high	94.3	Very high	4 Å²	4	40 Å²	40	2%	0.024	22%	0.215	C	C	.	.	H	α-helix	trans	-65.6	-43.5	-176.9	-178.9	0	0	0	0	110.7	F799 I822 I843 F845 D850 L854 G855 L856	F799-V852 HydrophobicContact CE1-CB 4.29Å; F799-V852 HydrophobicContact CE1-CG1 4.06Å; F799-V852 HydrophobicContact CZ-CG1 4.42Å; I822-V852 HydrophobicContact CG2-CG1 4.19Å; I822-V852 HydrophobicContact CG2-CG2 3.85Å; I843-V852 HydrophobicContact CG2-CB 3.74Å; I843-V852 HydrophobicContact CG2-CG1 4.41Å; I843-V852 HydrophobicContact CG2-CG2 3.92Å; I843-V852 WeakPolarHBondContact O-CG2 3.42Å; I843-V852 PolarHBondContact O-N 3.24Å; F845-V852 HydrophobicContact CD1-CG2 4.28Å; F845-V852 HydrophobicContact CD2-CG2 4Å; F845-V852 HydrophobicContact CE1-CG2 4.04Å; F845-V852 HydrophobicContact CE2-CG2 3.76Å; F845-V852 HydrophobicContact CG-CG2 4.27Å; F845-V852 HydrophobicContact CZ-CG1 4.46Å; F845-V852 HydrophobicContact CZ-CG2 3.79Å; D850-V852 PolarHBondContact O-N 2.95Å; V852-L854 VanDerWaalsContact C-N 3.33Å; V852-L854 PolarHBondContact O-N 3.45Å; V852-G855 WeakPolarHBondContact O-CA 3.39Å; V852-G855 PolarHBondContact O-N 2.97Å; V852-G855 VanDerWaalsContact O-N 3.12Å; V852-L856 WeakPolarHBondContact O-CG 3.27Å; V852-L856 PolarHBondContact O-N 3.47Å; V852-L856 VanDerWaalsContact O-N 3.12Å
853	G	95.4	Very high	94.2	Very high	1 Å²	1	42 Å²	42	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-39.7	179.3	0	0	0	0	0	111.7	D851 G855 L856 V857	D851-G853 PolarHBondContact OD1-N 3.19Å; G853-G855 VanDerWaalsContact C-N 3.32Å; G853-G855 PolarHBondContact O-N 2.96Å; G853-L856 PolarHBondContact O-N 3.1Å; G853-V857 PolarHBondContact O-N 2.86Å
854	L	96.2	Very high	94.1	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-35.4	173	-175.5	59.4	0	0	0	112.2	D851 V852 V857 K858 E878 Y879 S882	D851-L854 HydrophobicContact CB-CB 3.79Å; D851-L854 PolarHBondContact O-N 3.22Å; D851-L854 PolarHBondContact OD1-N 3.19Å; D851-L854 VanDerWaalsContact OD1-N 3.09Å; V852-L854 VanDerWaalsContact C-N 3.33Å; V852-L854 PolarHBondContact O-N 3.45Å; L854-V857 PolarHBondContact O-N 3Å; L854-K858 HydrophobicContact CG-CD 4.49Å; L854-K858 WeakPolarHBondContact O-CG 3.46Å; L854-K858 PolarHBondContact O-N 2.97Å; L854-E878 HydrophobicContact CD2-CG 4.09Å; L854-Y879 HydrophobicContact CB-CE1 4.29Å; L854-Y879 HydrophobicContact CB-CE2 3.88Å; L854-Y879 HydrophobicContact CD1-CD1 4.28Å; L854-Y879 HydrophobicContact CD1-CD2 3.7Å; L854-Y879 HydrophobicContact CD1-CE1 4.47Å; L854-Y879 HydrophobicContact CD1-CE2 3.92Å; L854-Y879 HydrophobicContact CD1-CG 3.89Å; L854-Y879 HydrophobicContact CG-CE2 4.32Å; L854-Y879 PolarHBondContact N-OH 3.1Å; L854-S882 WeakPolarHBondContact CD1-OG 3.38Å
855	G	95.2	Very high	93.8	Very high	24 Å²	24	42.7 Å²	42.7	25%	0.247	23%	0.23	C	C	.	.	H	α-helix	trans	-56.8	-48.7	173.2	0	0	0	0	0	112.1	D851 V852 G853 V857 K858 E859	D851-G855 PolarHBondContact O-N 2.63Å; V852-G855 WeakPolarHBondContact O-CA 3.39Å; V852-G855 PolarHBondContact O-N 2.97Å; V852-G855 VanDerWaalsContact O-N 3.12Å; G853-G855 VanDerWaalsContact C-N 3.32Å; G853-G855 PolarHBondContact O-N 2.96Å; G855-V857 VanDerWaalsContact C-N 3.26Å; G855-V857 PolarHBondContact O-N 3.48Å; G855-K858 WeakPolarHBondContact O-CB 3.48Å; G855-K858 PolarHBondContact O-N 2.89Å; G855-E859 PolarHBondContact O-N 2.99Å
856	L	96	Very high	93.5	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-37.8	176.8	-60.6	173.5	0	0	0	112.4	I802 V814 C817 V818 V852 G853 G860 L861 V862	I802-L856 HydrophobicContact CD1-CD1 4.03Å; V814-L856 HydrophobicContact CG1-CD1 3.94Å; V814-L856 HydrophobicContact CG1-CD2 4.24Å; C817-L856 HydrophobicContact CB-CD2 4.24Å; V818-L856 HydrophobicContact CG2-CD1 3.77Å; V818-L856 HydrophobicContact CG2-CD2 4.19Å; V852-L856 WeakPolarHBondContact O-CG 3.27Å; V852-L856 PolarHBondContact O-N 3.47Å; V852-L856 VanDerWaalsContact O-N 3.12Å; G853-L856 PolarHBondContact O-N 3.1Å; L856-G860 PolarHBondContact O-N 3.47Å; L856-L861 HydrophobicContact CD2-CD1 4Å; L856-L861 PolarHBondContact O-N 2.79Å; L856-V862 HydrophobicContact CB-CG1 4.47Å; L856-V862 HydrophobicContact CB-CG2 3.67Å
857	V	96.3	Very high	93.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.1	-42.9	175.3	175.6	0	0	0	0	111.3	I802 G853 L854 G855 E859 G860 V862 V864 Y879 Q883 A886	I802-V857 HydrophobicContact CG2-CG2 3.71Å; G853-V857 PolarHBondContact O-N 2.86Å; L854-V857 PolarHBondContact O-N 3Å; G855-V857 VanDerWaalsContact C-N 3.26Å; G855-V857 PolarHBondContact O-N 3.48Å; V857-E859 VanDerWaalsContact C-N 3.28Å; V857-E859 PolarHBondContact O-N 2.92Å; V857-G860 PolarHBondContact O-N 2.85Å; V857-V862 HydrophobicContact CG2-CG2 3.73Å; V857-V864 HydrophobicContact CG1-CG2 3.72Å; V857-V864 HydrophobicContact CG2-CG2 4.06Å; V857-Y879 WeakPolarHBondContact CG1-O 3.31Å; V857-Y879 HydrophobicContact CG2-CD1 3.94Å; V857-Y879 HydrophobicContact CG2-CE1 4.31Å; V857-Q883 HydrophobicContact CG1-CB 3.81Å; V857-A886 WeakPolarHBondContact O-CB 3.04Å
858	K	94.3	Very high	93.3	Very high	113 Å²	113	46.3 Å²	46.3	49%	0.491	23%	0.232	S	C	.	.	H	α-helix	trans	-62.5	-35.7	178.1	-76.1	174.2	178.5	169.3	0	112.4	L854 G855 G860 L891	L854-K858 HydrophobicContact CG-CD 4.49Å; L854-K858 WeakPolarHBondContact O-CG 3.46Å; L854-K858 PolarHBondContact O-N 2.97Å; G855-K858 WeakPolarHBondContact O-CB 3.48Å; G855-K858 PolarHBondContact O-N 2.89Å; K858-G860 PolarHBondContact O-N 2.87Å; K858-L891 WeakPolarHBondContact O-CD1 3.44Å
859	E	93.9	Very high	92.8	Very high	91 Å²	91	45.9 Å²	45.9	43%	0.425	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.4	174.9	-66.2	-173.4	-175.1	0	0	112.6	G855 V857 L861 L891 N892	G855-E859 PolarHBondContact O-N 2.99Å; V857-E859 VanDerWaalsContact C-N 3.28Å; V857-E859 PolarHBondContact O-N 2.92Å; E859-L861 VanDerWaalsContact C-N 3.27Å; E859-L861 HydrophobicContact CB-CD1 4.05Å; E859-L861 HydrophobicContact CB-CG 4Å; E859-L861 PolarHBondContact O-N 2.88Å; E859-L861 WeakPolarHBondContact OE2-CD1 3.37Å; E859-L891 WeakPolarHBondContact O-CB 3.31Å; E859-N892 PolarHBondContact O-ND2 3.03Å
860	G	92.4	Very high	92.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	24.8	-178.3	0	0	0	0	0	113.3	L856 V857 K858 N892 I893	L856-G860 PolarHBondContact O-N 3.47Å; V857-G860 PolarHBondContact O-N 2.85Å; K858-G860 PolarHBondContact O-N 2.87Å; G860-N892 WeakPolarHBondContact O-CB 3.48Å; G860-I893 WeakPolarHBondContact O-CG1 3.32Å; G860-I893 PolarHBondContact O-N 3.12Å; G860-I893 VanDerWaalsContact O-N 3.07Å
861	L	91.9	Very high	91.7	Very high	18 Å²	18	46.7 Å²	46.7	9%	0.094	23%	0.225	C	C	.	.	S	Bend	trans	-83.2	-28.3	178.7	-67	171.2	0	0	0	112.1	V814 C817 L856 E859 N892	V814-L861 HydrophobicContact CG2-CB 3.88Å; C817-L861 HydrophobicContact CB-CD1 4.31Å; L856-L861 HydrophobicContact CD2-CD1 4Å; L856-L861 PolarHBondContact O-N 2.79Å; E859-L861 VanDerWaalsContact C-N 3.27Å; E859-L861 HydrophobicContact CB-CD1 4.05Å; E859-L861 HydrophobicContact CB-CG 4Å; E859-L861 PolarHBondContact O-N 2.88Å; E859-L861 WeakPolarHBondContact OE2-CD1 3.37Å; L861-N892 HydrophobicContact CD2-CB 4.04Å; L861-N892 WeakPolarHBondContact CD2-ND2 3.4Å
862	V	94	Very high	91.3	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	22%	0.22	C	C	.	.	S	Bend	trans	-133.6	158.5	179.8	-60.9	0	0	0	0	111.8	I802 P805 V814 L856 V857	I802-V862 HydrophobicContact CB-CB 4.39Å; I802-V862 HydrophobicContact CB-CG2 3.85Å; I802-V862 HydrophobicContact CD1-CG2 4.27Å; I802-V862 HydrophobicContact CG2-CG2 3.85Å; P805-V862 HydrophobicContact CG-CG1 4.18Å; V814-V862 HydrophobicContact CB-CG1 4.39Å; V814-V862 HydrophobicContact CG1-CG1 3.77Å; V814-V862 HydrophobicContact CG2-CG1 3.65Å; L856-V862 HydrophobicContact CB-CG1 4.47Å; L856-V862 HydrophobicContact CB-CG2 3.67Å; V857-V862 HydrophobicContact CG2-CG2 3.73Å
863	M	92.6	Very high	90.9	Very high	42 Å²	42	49 Å²	49	21%	0.207	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	159.9	169.5	-66.8	-171.6	-73.1	0	0	111.1	I802 Q803 I893 W894 F899 R900	I802-M863 CarbonylContact C-O 3.5Å; I802-M863 VanDerWaalsContact CA-O 3.3Å; I802-M863 WeakPolarHBondContact CA-O 3.26Å; Q803-M863 HydrophobicContact CB-CB 4.3Å; Q803-M863 PolarHBondContact N-O 3.48Å; M863-I893 HydrophobicContact CG-CD1 3.8Å; M863-W894 HydrophobicContact CG-CH2 4.28Å; M863-W894 HydrophobicContact CG-CZ2 4.08Å; M863-W894 HydrophobicContact SD-CH2 4.37Å; M863-F899 HydrophobicContact CE-CE2 4.21Å; M863-F899 HydrophobicContact CE-CZ 4.02Å; M863-F899 HydrophobicContact CG-CZ 4.4Å; M863-F899 HydrophobicContact SD-CE2 4.1Å; M863-F899 HydrophobicContact SD-CZ 3.58Å; M863-F899 VanDerWaalsContact SD-CZ 3.58Å; M863-R900 HydrophobicContact SD-CG 4.44Å
864	V	94.4	Very high	90.6	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130	176.5	178.1	0	0	0	0	110.2	F801 V857 Y879 L880 Q883	F801-V864 CarbonylContact O-C 3.5Å; F801-V864 VanDerWaalsContact O-CA 3.27Å; F801-V864 WeakPolarHBondContact O-CA 3.45Å; F801-V864 WeakPolarHBondContact O-CG1 3.33Å; V857-V864 HydrophobicContact CG1-CG2 3.72Å; V857-V864 HydrophobicContact CG2-CG2 4.06Å; V864-Y879 WeakPolarHBondContact CG2-O 3.41Å; V864-L880 HydrophobicContact CB-CD2 4.11Å; V864-L880 HydrophobicContact CG1-CD2 4.02Å; V864-L880 HydrophobicContact CG1-CG 4.16Å; V864-Q883 HydrophobicContact CG2-CB 3.81Å; V864-Q883 HydrophobicContact CG2-CG 4.34Å
865	D	92.1	Very high	90.4	Very high	42 Å²	42	58 Å²	58	23%	0.225	27%	0.274	C	S	.	.			trans	-87.6	110.4	168.3	-174	34.5	0	0	0	110.3	F801 Q803 R867	F801-D865 PolarHBondContact O-N 2.78Å; Q803-D865 HydrophobicContact CG-CB 3.75Å; D865-R867 PolarHBondContact O-N 3.4Å
866	V	89.3	Confident	90.2	Very high	82 Å²	82	56.9 Å²	56.9	50%	0.497	26%	0.263	S	S	.	.			trans	-80.5	118.4	-171.6	-178.9	0	0	0	0	110.6	V876 L880	V866-V876 HydrophobicContact CG1-CG1 4.06Å; V866-L880 HydrophobicContact CG2-CD1 4.49Å; V866-L880 HydrophobicContact CG2-CD2 4.09Å
867	R	87.4	Confident	90.1	Very high	49 Å²	49	60.1 Å²	60.1	19%	0.185	28%	0.282	C	S	.	.			trans	-95.1	142.1	176.3	-60.3	-53.2	-59.2	-169	-2.6	111	F801 Y833 D865 E869 L872 Q873 V876	F801-R867 HydrophobicContact CD1-CG 3.77Å; F801-R867 HydrophobicContact CE1-CB 4.5Å; F801-R867 HydrophobicContact CE1-CG 3.94Å; Y833-R867 HydrophobicContact CE1-CG 4.15Å; D865-R867 PolarHBondContact O-N 3.4Å; R867-E869 VanDerWaalsContact CB-OE2 3.31Å; R867-E869 WeakPolarHBondContact CB-OE2 3.43Å; R867-E869 IonicContact CZ-OE1 2.87Å; R867-E869 IonicContact CZ-OE2 3.72Å; R867-E869 IonicContact NE-OE1 3.66Å; R867-E869 IonicContact NE-OE2 3.72Å; R867-E869 PolarHBondContact NE-OE2 2.81Å; R867-E869 IonicContact NH2-OE1 3.02Å; R867-E869 PolarHBondContact NH2-OE1 3.33Å; R867-E869 IonicContact NH2-OE2 2.77Å; R867-L872 HydrophobicContact CB-CD1 4.3Å; R867-L872 HydrophobicContact CG-CD1 4.49Å; R867-Q873 PolarHBondContact O-NE2 3.3Å; R867-V876 HydrophobicContact CB-CG2 3.85Å; R867-V876 HydrophobicContact CG-CG2 4.45Å
868	K	84.3	Confident	89.9	Confident	170 Å²	170	64.4 Å²	64.4	74%	0.739	30%	0.303	S	S	*	.			trans	-95.1	-12.1	-177.7	-66.7	175	-175.3	160.4	0	112.7	K870	K868-K870 PolarHBondContact O-N 2.86Å
869	E	82.6	Confident	90.1	Very high	63 Å²	63	59.1 Å²	59.1	29%	0.294	28%	0.279	S	S	.	.			trans	-66.2	126.3	-176.9	-63.3	88.2	156.5	0	0	110.8	R867 H871 L872 Q873	R867-E869 VanDerWaalsContact CB-OE2 3.31Å; R867-E869 WeakPolarHBondContact CB-OE2 3.43Å; R867-E869 IonicContact CZ-OE1 2.87Å; R867-E869 IonicContact CZ-OE2 3.72Å; R867-E869 IonicContact NE-OE1 3.66Å; R867-E869 IonicContact NE-OE2 3.72Å; R867-E869 PolarHBondContact NE-OE2 2.81Å; R867-E869 IonicContact NH2-OE1 3.02Å; R867-E869 PolarHBondContact NH2-OE1 3.33Å; R867-E869 IonicContact NH2-OE2 2.77Å; E869-H871 VanDerWaalsContact C-N 3.3Å; E869-H871 PolarHBondContact O-N 2.91Å; E869-L872 HydrophobicContact CB-CD1 4.13Å; E869-L872 HydrophobicContact CB-CG 4.26Å; E869-L872 PolarHBondContact O-N 3.34Å; E869-L872 VanDerWaalsContact O-N 3.09Å; E869-Q873 PolarHBondContact O-N 2.87Å; E869-Q873 PolarHBondContact O-NE2 3.46Å
870	K	81.3	Confident	90.1	Very high	160 Å²	160	57.4 Å²	57.4	70%	0.696	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-55.3	-41.2	-174.8	-71.6	-174.4	-171.1	167.4	0	113.5	E676 K868 L872 Q873	E676-K870 IonicContact OE1-NZ 3.72Å; E676-K870 PolarHBondContact OE1-NZ 2.86Å; K868-K870 PolarHBondContact O-N 2.86Å; K870-L872 PolarHBondContact O-N 3.45Å; K870-Q873 WeakPolarHBondContact O-CG 3.39Å; K870-Q873 PolarHBondContact O-N 3.48Å
871	H	82.9	Confident	90.2	Very high	84 Å²	84	62.1 Å²	62.1	39%	0.389	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-69	-18.6	-176.7	63.5	-84.1	0	0	0	113.2	R679 E869	R679-H871 WeakPolarHBondContact CB-O 3.44Å; E869-H871 VanDerWaalsContact C-N 3.3Å; E869-H871 PolarHBondContact O-N 2.91Å
872	L	88.6	Confident	90.3	Very high	1 Å²	1	62 Å²	62	1%	0.005	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-97	-9	179.1	-55.1	178.8	0	0	0	113.1	F801 Y833 R867 E869 K870 K874 M875 V876	F801-L872 HydrophobicContact CE1-CB 4.08Å; F801-L872 HydrophobicContact CE1-CD1 3.99Å; F801-L872 HydrophobicContact CE1-CD2 4.48Å; F801-L872 HydrophobicContact CE1-CG 4.39Å; F801-L872 HydrophobicContact CZ-CB 4.41Å; F801-L872 HydrophobicContact CZ-CD1 4.39Å; F801-L872 HydrophobicContact CZ-CD2 4.13Å; Y833-L872 HydrophobicContact CD1-CD1 3.6Å; Y833-L872 HydrophobicContact CE1-CD1 3.99Å; R867-L872 HydrophobicContact CB-CD1 4.3Å; R867-L872 HydrophobicContact CG-CD1 4.49Å; E869-L872 HydrophobicContact CB-CD1 4.13Å; E869-L872 HydrophobicContact CB-CG 4.26Å; E869-L872 PolarHBondContact O-N 3.34Å; E869-L872 VanDerWaalsContact O-N 3.09Å; K870-L872 PolarHBondContact O-N 3.45Å; L872-K874 VanDerWaalsContact C-N 3.26Å; L872-K874 PolarHBondContact O-N 3.12Å; L872-K874 VanDerWaalsContact O-N 3.15Å; L872-M875 WeakPolarHBondContact O-CB 3.32Å; L872-M875 PolarHBondContact O-N 2.98Å; L872-V876 HydrophobicContact CB-CG2 4.5Å; L872-V876 WeakPolarHBondContact O-CG2 3.36Å; L872-V876 PolarHBondContact O-N 3.43Å
873	Q	88.3	Confident	90.3	Very high	72 Å²	72	62.1 Å²	62.1	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-58.6	-33.8	-172.2	-67.6	-55.8	-56.6	0	0	113.9	R867 E869 K870 V876 T877	R867-Q873 PolarHBondContact O-NE2 3.3Å; E869-Q873 PolarHBondContact O-N 2.87Å; E869-Q873 PolarHBondContact O-NE2 3.46Å; K870-Q873 WeakPolarHBondContact O-CG 3.39Å; K870-Q873 PolarHBondContact O-N 3.48Å; Q873-V876 PolarHBondContact O-N 3.44Å; Q873-T877 WeakPolarHBondContact O-CB 3.46Å; Q873-T877 PolarHBondContact O-N 3.34Å; Q873-T877 PolarHBondContact O-OG1 3.07Å
874	K	89.1	Confident	90.3	Very high	179 Å²	179	64.2 Å²	64.2	78%	0.778	31%	0.309	S	S	*	.	H	α-helix	trans	-61.5	-46.2	175.1	-70.8	-177.7	179.4	174.6	0	111.5	L872 T877 E878	L872-K874 VanDerWaalsContact C-N 3.26Å; L872-K874 PolarHBondContact O-N 3.12Å; L872-K874 VanDerWaalsContact O-N 3.15Å; K874-T877 PolarHBondContact O-N 3.48Å; K874-E878 PolarHBondContact O-N 2.72Å
875	M	90.8	Very high	90.2	Very high	16 Å²	16	67.7 Å²	67.7	8%	0.079	33%	0.333	C	S	.	.	H	α-helix	trans	-66.1	-46.3	177.4	-71	-61	-56.7	0	0	111.4	R679 F801 T842 L872 T877 E878 Y879	R679-M875 VanDerWaalsContact CZ-SD 3.55Å; R679-M875 PolarHBondContact NH1-SD 3.35Å; F801-M875 HydrophobicContact CE2-CB 4.03Å; F801-M875 HydrophobicContact CE2-CE 4.39Å; F801-M875 HydrophobicContact CE2-CG 4.43Å; F801-M875 HydrophobicContact CZ-CB 4.09Å; T842-M875 HydrophobicContact CG2-CE 4.49Å; L872-M875 WeakPolarHBondContact O-CB 3.32Å; L872-M875 PolarHBondContact O-N 2.98Å; M875-T877 VanDerWaalsContact C-N 3.26Å; M875-T877 PolarHBondContact O-N 3.41Å; M875-E878 WeakPolarHBondContact O-CB 3.46Å; M875-E878 PolarHBondContact O-N 2.91Å; M875-E878 VanDerWaalsContact O-N 3.1Å; M875-Y879 HydrophobicContact CE-CD2 4.28Å; M875-Y879 HydrophobicContact CE-CE2 3.68Å; M875-Y879 WeakPolarHBondContact O-CD2 3.28Å; M875-Y879 PolarHBondContact O-N 3.19Å
876	V	92.3	Very high	90.2	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.012	32%	0.323	C	S	.	.	H	α-helix	trans	-58.9	-40.1	178.4	175.3	0	0	0	0	111.1	F801 V866 R867 L872 Q873 E878 Y879 L880	F801-V876 HydrophobicContact CD1-CG2 4.03Å; F801-V876 HydrophobicContact CE1-CG2 4.21Å; V866-V876 HydrophobicContact CG1-CG1 4.06Å; R867-V876 HydrophobicContact CB-CG2 3.85Å; R867-V876 HydrophobicContact CG-CG2 4.45Å; L872-V876 HydrophobicContact CB-CG2 4.5Å; L872-V876 WeakPolarHBondContact O-CG2 3.36Å; L872-V876 PolarHBondContact O-N 3.43Å; Q873-V876 PolarHBondContact O-N 3.44Å; V876-E878 PolarHBondContact O-N 3.18Å; V876-Y879 PolarHBondContact O-N 3.01Å; V876-L880 HydrophobicContact CG1-CD1 3.9Å; V876-L880 HydrophobicContact CG1-CG 4.31Å; V876-L880 WeakPolarHBondContact O-CB 3.19Å; V876-L880 VanDerWaalsContact O-CG 3.3Å; V876-L880 WeakPolarHBondContact O-CG 3.09Å; V876-L880 PolarHBondContact O-N 2.85Å
877	T	92.5	Very high	90.3	Very high	70 Å²	70	64.6 Å²	64.6	43%	0.429	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-41.4	176.7	-56.5	0	0	0	0	111.6	Q873 K874 M875 L880 N881	Q873-T877 WeakPolarHBondContact O-CB 3.46Å; Q873-T877 PolarHBondContact O-N 3.34Å; Q873-T877 PolarHBondContact O-OG1 3.07Å; K874-T877 PolarHBondContact O-N 3.48Å; M875-T877 VanDerWaalsContact C-N 3.26Å; M875-T877 PolarHBondContact O-N 3.41Å; T877-L880 PolarHBondContact O-N 3.25Å; T877-N881 WeakPolarHBondContact O-CB 3.33Å; T877-N881 PolarHBondContact O-N 3.46Å; T877-N881 PolarHBondContact O-ND2 3.04Å
878	E	93.9	Very high	90.4	Very high	91 Å²	91	67 Å²	67	43%	0.425	34%	0.335	S	S	.	.	H	α-helix	trans	-63.7	-43.8	176.5	-179.5	174.3	-165.8	0	0	112.5	L854 K874 M875 V876 N881 S882	L854-E878 HydrophobicContact CD2-CG 4.09Å; K874-E878 PolarHBondContact O-N 2.72Å; M875-E878 WeakPolarHBondContact O-CB 3.46Å; M875-E878 PolarHBondContact O-N 2.91Å; M875-E878 VanDerWaalsContact O-N 3.1Å; V876-E878 PolarHBondContact O-N 3.18Å; E878-N881 PolarHBondContact O-N 3.19Å; E878-S882 PolarHBondContact O-N 3.12Å; E878-S882 VanDerWaalsContact O-N 3.09Å; E878-S882 PolarHBondContact O-OG 2.87Å; E878-S882 VanDerWaalsContact O-OG 3.07Å
879	Y	96.8	Very high	90.7	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-46.9	175.1	-87.4	-116.2	0	0	0	111.2	F801 I802 D851 L854 V857 V864 M875 V876 N881 S882 Q883	F801-Y879 HydrophobicContact CB-CD1 3.6Å; F801-Y879 HydrophobicContact CB-CE1 3.7Å; F801-Y879 HydrophobicContact CB-CG 4.05Å; F801-Y879 HydrophobicContact CD2-CD2 4.47Å; F801-Y879 HydrophobicContact CD2-CE1 4.31Å; F801-Y879 HydrophobicContact CD2-CE2 4.06Å; F801-Y879 AromaticContact CD2-CZ 3.96Å; I802-Y879 HydrophobicContact CG2-CD1 4.28Å; I802-Y879 HydrophobicContact CG2-CE1 3.87Å; D851-Y879 PolarHBondContact OD1-OH 3.26Å; D851-Y879 PolarHBondContact OD2-OH 2.9Å; L854-Y879 HydrophobicContact CB-CE1 4.29Å; L854-Y879 HydrophobicContact CB-CE2 3.88Å; L854-Y879 HydrophobicContact CD1-CD1 4.28Å; L854-Y879 HydrophobicContact CD1-CD2 3.7Å; L854-Y879 HydrophobicContact CD1-CE1 4.47Å; L854-Y879 HydrophobicContact CD1-CE2 3.92Å; L854-Y879 HydrophobicContact CD1-CG 3.89Å; L854-Y879 HydrophobicContact CG-CE2 4.32Å; L854-Y879 PolarHBondContact N-OH 3.1Å; V857-Y879 WeakPolarHBondContact CG1-O 3.31Å; V857-Y879 HydrophobicContact CG2-CD1 3.94Å; V857-Y879 HydrophobicContact CG2-CE1 4.31Å; V864-Y879 WeakPolarHBondContact CG2-O 3.41Å; M875-Y879 HydrophobicContact CE-CD2 4.28Å; M875-Y879 HydrophobicContact CE-CE2 3.68Å; M875-Y879 WeakPolarHBondContact O-CD2 3.28Å; M875-Y879 PolarHBondContact O-N 3.19Å; V876-Y879 PolarHBondContact O-N 3.01Å; Y879-N881 PolarHBondContact O-N 3.09Å; Y879-S882 WeakPolarHBondContact O-CB 3.46Å; Y879-S882 PolarHBondContact O-N 3.29Å; Y879-Q883 PolarHBondContact O-N 3.39Å
880	L	95	Very high	91.1	Very high	55 Å²	55	67 Å²	67	29%	0.288	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-41.5	177.5	-75.2	172.9	0	0	0	112.7	V864 V866 V876 T877 S882 Q883 E884	V864-L880 HydrophobicContact CB-CD2 4.11Å; V864-L880 HydrophobicContact CG1-CD2 4.02Å; V864-L880 HydrophobicContact CG1-CG 4.16Å; V866-L880 HydrophobicContact CG2-CD1 4.49Å; V866-L880 HydrophobicContact CG2-CD2 4.09Å; V876-L880 HydrophobicContact CG1-CD1 3.9Å; V876-L880 HydrophobicContact CG1-CG 4.31Å; V876-L880 WeakPolarHBondContact O-CB 3.19Å; V876-L880 VanDerWaalsContact O-CG 3.3Å; V876-L880 WeakPolarHBondContact O-CG 3.09Å; V876-L880 PolarHBondContact O-N 2.85Å; T877-L880 PolarHBondContact O-N 3.25Å; L880-S882 VanDerWaalsContact C-N 3.3Å; L880-S882 PolarHBondContact O-N 3.12Å; L880-Q883 WeakPolarHBondContact O-CB 3.37Å; L880-Q883 PolarHBondContact O-N 2.99Å; L880-E884 PolarHBondContact O-N 2.84Å
881	N	93.8	Very high	91.5	Very high	99 Å²	99	62.7 Å²	62.7	53%	0.529	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-38.5	175.9	-72.1	-19.7	0	0	0	112	T877 E878 Y879 S885	T877-N881 WeakPolarHBondContact O-CB 3.33Å; T877-N881 PolarHBondContact O-N 3.46Å; T877-N881 PolarHBondContact O-ND2 3.04Å; E878-N881 PolarHBondContact O-N 3.19Å; Y879-N881 PolarHBondContact O-N 3.09Å; N881-S885 PolarHBondContact O-N 3.18Å; N881-S885 VanDerWaalsContact O-N 3.13Å; N881-S885 PolarHBondContact O-OG 2.8Å
882	S	94.6	Very high	91.7	Very high	15 Å²	15	62.6 Å²	62.6	11%	0.105	33%	0.328	C	S	.	.	H	α-helix	trans	-67.5	-40	175.6	-62.5	0	0	0	0	111.5	L854 E878 Y879 L880 S885 A886	L854-S882 WeakPolarHBondContact CD1-OG 3.38Å; E878-S882 PolarHBondContact O-N 3.12Å; E878-S882 VanDerWaalsContact O-N 3.09Å; E878-S882 PolarHBondContact O-OG 2.87Å; E878-S882 VanDerWaalsContact O-OG 3.07Å; Y879-S882 WeakPolarHBondContact O-CB 3.46Å; Y879-S882 PolarHBondContact O-N 3.29Å; L880-S882 VanDerWaalsContact C-N 3.3Å; L880-S882 PolarHBondContact O-N 3.12Å; S882-S885 WeakPolarHBondContact O-CB 3.11Å; S882-S885 PolarHBondContact O-N 2.58Å; S882-A886 PolarHBondContact O-N 2.79Å
883	Q	94.3	Very high	91.7	Very high	5 Å²	5	64.8 Å²	64.8	2%	0.023	34%	0.339	C	S	.	.	H	α-helix	trans	-62.7	-45.1	174.9	-172.2	-176.2	-94.2	0	0	112.2	V857 V864 Y879 L880 S885 A886 K887 W894	V857-Q883 HydrophobicContact CG1-CB 3.81Å; V864-Q883 HydrophobicContact CG2-CB 3.81Å; V864-Q883 HydrophobicContact CG2-CG 4.34Å; Y879-Q883 PolarHBondContact O-N 3.39Å; L880-Q883 WeakPolarHBondContact O-CB 3.37Å; L880-Q883 PolarHBondContact O-N 2.99Å; Q883-S885 PolarHBondContact O-N 2.95Å; Q883-A886 PolarHBondContact O-N 3.02Å; Q883-K887 VanDerWaalsContact O-CB 3.28Å; Q883-K887 WeakPolarHBondContact O-CB 2.95Å; Q883-K887 PolarHBondContact O-N 3.07Å; Q883-W894 HydrophobicContact CG-CZ2 3.7Å
884	E	92.1	Very high	91.6	Very high	86 Å²	86	61.4 Å²	61.4	40%	0.402	32%	0.323	S	S	.	.	H	α-helix	trans	-63.6	-32.8	177.2	-75.1	-59.9	146.7	0	0	112.1	L880 K887 S888	L880-E884 PolarHBondContact O-N 2.84Å; E884-K887 IonicContact OE1-NZ 3.16Å; E884-K887 IonicContact OE2-NZ 3.95Å; E884-S888 WeakPolarHBondContact O-CB 3.43Å; E884-S888 PolarHBondContact O-N 2.84Å; E884-S888 PolarHBondContact O-OG 3.16Å
885	S	92.6	Very high	91.4	Very high	79 Å²	79	60.4 Å²	60.4	55%	0.552	32%	0.315	S	S	*	.	H	α-helix	trans	-66.9	-47.3	173.3	-58.8	0	0	0	0	111.7	N881 S882 Q883 K887 S888 A889	N881-S885 PolarHBondContact O-N 3.18Å; N881-S885 VanDerWaalsContact O-N 3.13Å; N881-S885 PolarHBondContact O-OG 2.8Å; S882-S885 WeakPolarHBondContact O-CB 3.11Å; S882-S885 PolarHBondContact O-N 2.58Å; Q883-S885 PolarHBondContact O-N 2.95Å; S885-K887 VanDerWaalsContact C-N 3.32Å; S885-K887 PolarHBondContact O-N 3Å; S885-S888 PolarHBondContact O-N 2.89Å; S885-A889 WeakPolarHBondContact O-CB 3.45Å; S885-A889 PolarHBondContact O-N 3.26Å
886	A	92.6	Very high	90.9	Very high	1 Å²	1	68.9 Å²	68.9	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-62.2	-40	176.3	0	0	0	0	0	112.1	V857 S882 Q883 A889 R890 L891	V857-A886 WeakPolarHBondContact O-CB 3.04Å; S882-A886 PolarHBondContact O-N 2.79Å; Q883-A886 PolarHBondContact O-N 3.02Å; A886-A889 CarbonylContact O-C 3.58Å; A886-A889 PolarHBondContact O-N 2.63Å; A886-R890 PolarHBondContact O-N 2.57Å; A886-L891 HydrophobicContact CB-CD1 4.31Å; A886-L891 PolarHBondContact O-N 3.07Å
887	K	89.8	Confident	90.1	Very high	58 Å²	58	70.2 Å²	70.2	25%	0.252	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-46.9	174.8	177.6	178.4	160.8	-175.2	0	112.1	Q883 E884 S885 A889 R890 W894 D898	Q883-K887 VanDerWaalsContact O-CB 3.28Å; Q883-K887 WeakPolarHBondContact O-CB 2.95Å; Q883-K887 PolarHBondContact O-N 3.07Å; E884-K887 IonicContact OE1-NZ 3.16Å; E884-K887 IonicContact OE2-NZ 3.95Å; S885-K887 VanDerWaalsContact C-N 3.32Å; S885-K887 PolarHBondContact O-N 3Å; K887-A889 VanDerWaalsContact C-N 3.28Å; K887-A889 PolarHBondContact O-N 2.83Å; K887-R890 PolarHBondContact O-N 3.24Å; K887-R890 VanDerWaalsContact O-N 3.09Å; K887-W894 HydrophobicContact CB-CD2 3.88Å; K887-W894 HydrophobicContact CB-CE3 4.17Å; K887-W894 HydrophobicContact CB-CG 4.07Å; K887-W894 HydrophobicContact CD-CE3 4.17Å; K887-W894 HydrophobicContact CD-CZ3 4.17Å; K887-W894 HydrophobicContact CG-CD2 4.12Å; K887-W894 HydrophobicContact CG-CE3 3.9Å; K887-W894 HydrophobicContact CG-CZ3 4.4Å; K887-D898 VanDerWaalsContact CE-OD2 3.23Å; K887-D898 WeakPolarHBondContact CE-OD2 3.24Å; K887-D898 IonicContact NZ-OD2 3.47Å; K887-D898 PolarHBondContact NZ-OD2 2.92Å
888	S	89.9	Confident	89.5	Confident	99 Å²	99	68.9 Å²	68.9	69%	0.692	35%	0.351	S	S	*	.	H	α-helix	trans	-63.3	-35.7	177.4	-61.7	0	0	0	0	112.2	E884 S885 R890	E884-S888 WeakPolarHBondContact O-CB 3.43Å; E884-S888 PolarHBondContact O-N 2.84Å; E884-S888 PolarHBondContact O-OG 3.16Å; S885-S888 PolarHBondContact O-N 2.89Å; S888-R890 VanDerWaalsContact C-N 3.29Å; S888-R890 PolarHBondContact O-N 2.94Å
889	A	92	Very high	88.4	Confident	62 Å²	62	69.2 Å²	69.2	51%	0.512	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.3	176	0	0	0	0	0	114.1	S885 A886 K887 L891	S885-A889 WeakPolarHBondContact O-CB 3.45Å; S885-A889 PolarHBondContact O-N 3.26Å; A886-A889 CarbonylContact O-C 3.58Å; A886-A889 PolarHBondContact O-N 2.63Å; K887-A889 VanDerWaalsContact C-N 3.28Å; K887-A889 PolarHBondContact O-N 2.83Å; A889-L891 VanDerWaalsContact C-N 3.31Å; A889-L891 HydrophobicContact CB-CD1 4.24Å; A889-L891 HydrophobicContact CB-CD2 4.26Å; A889-L891 HydrophobicContact CB-CG 3.86Å; A889-L891 PolarHBondContact O-N 3.41Å
890	R	89.3	Confident	87.1	Confident	172 Å²	172	74.1 Å²	74.1	65%	0.649	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	42.4	-178.5	-60	-171.8	177.5	-165.3	-1.9	113.6	A886 K887 S888 R895	A886-R890 PolarHBondContact O-N 2.57Å; K887-R890 PolarHBondContact O-N 3.24Å; K887-R890 VanDerWaalsContact O-N 3.09Å; S888-R890 VanDerWaalsContact C-N 3.29Å; S888-R890 PolarHBondContact O-N 2.94Å; R890-R895 WeakPolarHBondContact O-CA 2.84Å
891	L	89.9	Confident	85.3	Confident	70 Å²	70	74.7 Å²	74.7	37%	0.366	38%	0.383	S	S	.	.			trans	-80	139.3	179.4	-57.1	179.1	0	0	0	111.5	K858 E859 A886 A889 I893 W894	K858-L891 WeakPolarHBondContact O-CD1 3.44Å; E859-L891 WeakPolarHBondContact O-CB 3.31Å; A886-L891 HydrophobicContact CB-CD1 4.31Å; A886-L891 PolarHBondContact O-N 3.07Å; A889-L891 VanDerWaalsContact C-N 3.31Å; A889-L891 HydrophobicContact CB-CD1 4.24Å; A889-L891 HydrophobicContact CB-CD2 4.26Å; A889-L891 HydrophobicContact CB-CG 3.86Å; A889-L891 PolarHBondContact O-N 3.41Å; L891-I893 PolarHBondContact O-N 3.24Å; L891-I893 VanDerWaalsContact O-N 3.12Å; L891-W894 WeakPolarHBondContact O-CB 3.41Å; L891-W894 VanDerWaalsContact O-CD1 3.29Å; L891-W894 PolarHBondContact O-N 3.28Å
892	N	88.4	Confident	83.1	Confident	82 Å²	82	76.5 Å²	76.5	44%	0.439	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	43.2	-109.4	171.2	-70.6	-46.1	0	0	0	114.6	E859 G860 L861 W894 R895	E859-N892 PolarHBondContact O-ND2 3.03Å; G860-N892 WeakPolarHBondContact O-CB 3.48Å; L861-N892 HydrophobicContact CD2-CB 4.04Å; L861-N892 WeakPolarHBondContact CD2-ND2 3.4Å; N892-W894 PolarHBondContact O-N 3.36Å; N892-R895 VanDerWaalsContact O-CB 3.29Å; N892-R895 WeakPolarHBondContact O-CB 3.06Å; N892-R895 VanDerWaalsContact O-CG 3.24Å; N892-R895 WeakPolarHBondContact O-CG 3.33Å; N892-R895 PolarHBondContact O-N 3.26Å
893	I	87.1	Confident	80.9	Confident	47 Å²	47	83.5 Å²	83.5	24%	0.241	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-61.3	-17.3	-176.7	74.3	-169.2	0	0	0	112.8	G860 M863 L891 F899	G860-I893 WeakPolarHBondContact O-CG1 3.32Å; G860-I893 PolarHBondContact O-N 3.12Å; G860-I893 VanDerWaalsContact O-N 3.07Å; M863-I893 HydrophobicContact CG-CD1 3.8Å; L891-I893 PolarHBondContact O-N 3.24Å; L891-I893 VanDerWaalsContact O-N 3.12Å; I893-F899 HydrophobicContact CB-CE1 4.34Å; I893-F899 HydrophobicContact CD1-CE1 4.5Å; I893-F899 HydrophobicContact CG1-CE1 4.18Å
894	W	87.4	Confident	78.6	Confident	1 Å²	1	86.6 Å²	86.6	0%	0.004	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-94.6	1.9	178.9	-50.1	105.2	0	0	0	114.2	M863 Q883 K887 L891 N892 Y896 G897 F899	M863-W894 HydrophobicContact CG-CH2 4.28Å; M863-W894 HydrophobicContact CG-CZ2 4.08Å; M863-W894 HydrophobicContact SD-CH2 4.37Å; Q883-W894 HydrophobicContact CG-CZ2 3.7Å; K887-W894 HydrophobicContact CB-CD2 3.88Å; K887-W894 HydrophobicContact CB-CE3 4.17Å; K887-W894 HydrophobicContact CB-CG 4.07Å; K887-W894 HydrophobicContact CD-CE3 4.17Å; K887-W894 HydrophobicContact CD-CZ3 4.17Å; K887-W894 HydrophobicContact CG-CD2 4.12Å; K887-W894 HydrophobicContact CG-CE3 3.9Å; K887-W894 HydrophobicContact CG-CZ3 4.4Å; L891-W894 WeakPolarHBondContact O-CB 3.41Å; L891-W894 VanDerWaalsContact O-CD1 3.29Å; L891-W894 PolarHBondContact O-N 3.28Å; N892-W894 PolarHBondContact O-N 3.36Å; W894-Y896 PolarHBondContact O-N 3.02Å; W894-Y896 VanDerWaalsContact O-N 3.1Å; W894-G897 PolarHBondContact O-N 2.88Å; W894-F899 HydrophobicContact CE3-CD1 4.48Å; W894-F899 HydrophobicContact CE3-CE1 4.19Å; W894-F899 HydrophobicContact CH2-CE1 4.31Å; W894-F899 HydrophobicContact CZ3-CD1 4.38Å; W894-F899 AromaticContact CZ3-CE1 3.95Å; W894-F899 HydrophobicContact CZ3-CE1 3.95Å
895	R	84.8	Confident	76.2	Confident	157 Å²	157	90.3 Å²	90.3	59%	0.592	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.4	-174	70.1	-172	177.2	179.5	-2.1	114.4	R890 N892	R890-R895 WeakPolarHBondContact O-CA 2.84Å; N892-R895 VanDerWaalsContact O-CB 3.29Å; N892-R895 WeakPolarHBondContact O-CB 3.06Å; N892-R895 VanDerWaalsContact O-CG 3.24Å; N892-R895 WeakPolarHBondContact O-CG 3.33Å; N892-R895 PolarHBondContact O-N 3.26Å
896	Y	80.9	Confident	73.8	Confident	195 Å²	195	94.5 Å²	94.5	77%	0.765	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	5.5	179.8	-59.3	-57.9	0	0	0	114.1	W894	W894-Y896 PolarHBondContact O-N 3.02Å; W894-Y896 VanDerWaalsContact O-N 3.1Å
897	G	74.9	Confident	71.6	Confident	29 Å²	29	103.4 Å²	103.4	30%	0.299	53%	0.528	S	S	.	.			trans	107.5	-171.8	-175.5	0	0	0	0	0	113.3	W894 F899	W894-G897 PolarHBondContact O-N 2.88Å; G897-F899 PolarHBondContact O-N 3.38Å
898	D	78.9	Confident	69.6	Low	43 Å²	43	104.6 Å²	104.6	23%	0.23	56%	0.556	C	S	.	*			trans	-82.9	95.9	178.2	-164.4	-17.3	0	0	0	110.3	K887 R900 A901	K887-D898 VanDerWaalsContact CE-OD2 3.23Å; K887-D898 WeakPolarHBondContact CE-OD2 3.24Å; K887-D898 IonicContact NZ-OD2 3.47Å; K887-D898 PolarHBondContact NZ-OD2 2.92Å; D898-R900 PolarHBondContact O-N 3.32Å; D898-R900 VanDerWaalsContact O-N 3.16Å; D898-R900 VanDerWaalsContact OD1-CB 3.31Å; D898-R900 WeakPolarHBondContact OD1-CB 3.38Å; D898-R900 IonicContact OD1-CZ 2.68Å; D898-R900 PolarHBondContact OD1-N 3.33Å; D898-R900 VanDerWaalsContact OD1-N 3.14Å; D898-R900 IonicContact OD1-NE 3.91Å; D898-R900 PolarHBondContact OD1-NE 3.38Å; D898-R900 IonicContact OD1-NH2 3.52Å; D898-R900 PolarHBondContact OD1-NH2 2.82Å; D898-R900 IonicContact OD2-CZ 3.19Å; D898-R900 IonicContact OD2-NE 3.34Å; D898-R900 IonicContact OD2-NH2 2.88Å; D898-R900 PolarHBondContact OD2-NH2 3.27Å; D898-A901 WeakPolarHBondContact O-CB 3.33Å; D898-A901 PolarHBondContact O-N 3.37Å
899	F	71.9	Confident	67	Low	98 Å²	98	111 Å²	111	43%	0.43	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.1	-10.8	179.7	61.6	-89.7	0	0	0	113.8	M863 I893 W894 G897 A901	M863-F899 HydrophobicContact CE-CE2 4.21Å; M863-F899 HydrophobicContact CE-CZ 4.02Å; M863-F899 HydrophobicContact CG-CZ 4.4Å; M863-F899 HydrophobicContact SD-CE2 4.1Å; M863-F899 HydrophobicContact SD-CZ 3.58Å; M863-F899 VanDerWaalsContact SD-CZ 3.58Å; I893-F899 HydrophobicContact CB-CE1 4.34Å; I893-F899 HydrophobicContact CD1-CE1 4.5Å; I893-F899 HydrophobicContact CG1-CE1 4.18Å; W894-F899 HydrophobicContact CE3-CD1 4.48Å; W894-F899 HydrophobicContact CE3-CE1 4.19Å; W894-F899 HydrophobicContact CH2-CE1 4.31Å; W894-F899 HydrophobicContact CZ3-CD1 4.38Å; W894-F899 AromaticContact CZ3-CE1 3.95Å; W894-F899 HydrophobicContact CZ3-CE1 3.95Å; G897-F899 PolarHBondContact O-N 3.38Å; F899-A901 VanDerWaalsContact C-N 3.28Å
900	R	69.4	Low	64.5	Low	103 Å²	103	119.7 Å²	119.7	39%	0.389	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.8	-11.9	175.7	-54.5	170.1	-63.3	178.9	5	112.7	M863 D898	M863-R900 HydrophobicContact SD-CG 4.44Å; D898-R900 PolarHBondContact O-N 3.32Å; D898-R900 VanDerWaalsContact O-N 3.16Å; D898-R900 VanDerWaalsContact OD1-CB 3.31Å; D898-R900 WeakPolarHBondContact OD1-CB 3.38Å; D898-R900 IonicContact OD1-CZ 2.68Å; D898-R900 PolarHBondContact OD1-N 3.33Å; D898-R900 VanDerWaalsContact OD1-N 3.14Å; D898-R900 IonicContact OD1-NE 3.91Å; D898-R900 PolarHBondContact OD1-NE 3.38Å; D898-R900 IonicContact OD1-NH2 3.52Å; D898-R900 PolarHBondContact OD1-NH2 2.82Å; D898-R900 IonicContact OD2-CZ 3.19Å; D898-R900 IonicContact OD2-NE 3.34Å; D898-R900 IonicContact OD2-NH2 2.88Å; D898-R900 PolarHBondContact OD2-NH2 3.27Å
901	A	56	Low	62.1	Low	67 Å²	67	127 Å²	127	55%	0.554	61%	0.614	S	S	*	*	S	Bend	trans	-81	-20.8	-178.5	0	0	0	0	0	113.4	D898 F899	D898-A901 WeakPolarHBondContact O-CB 3.33Å; D898-A901 PolarHBondContact O-N 3.37Å; F899-A901 VanDerWaalsContact C-N 3.28Å
902	D	48.5	Very low	60.7	Low	137 Å²	137	129.9 Å²	129.9	73%	0.733	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-16.2	-171.6	-83.5	-13.7	0	0	0	115	A904	D902-A904 VanDerWaalsContact C-N 3.32Å; D902-A904 PolarHBondContact O-N 3.4Å
903	D	48.6	Very low	59.3	Low	162 Å²	162	132.4 Å²	132.4	87%	0.866	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	4.6	-179.7	-84.9	-23.3	0	0	0	114.2
904	A	45.5	Very low	57.7	Low	70 Å²	70	137.2 Å²	137.2	58%	0.579	66%	0.658	S	S	*	*	S	Bend	trans	-99.3	-20.4	-168	0	0	0	0	0	116.8	D902	D902-A904 VanDerWaalsContact C-N 3.32Å; D902-A904 PolarHBondContact O-N 3.4Å
905	D	42.1	Very low	56	Low	165 Å²	165	145.2 Å²	145.2	88%	0.882	70%	0.697	S	S	*	*	S	Bend	trans	-154.2	-1.3	-174.9	-96.1	-37.1	0	0	0	120.2
906	E	42.9	Very low	54.2	Low	166 Å²	166	144.4 Å²	144.4	78%	0.776	70%	0.703	S	S	*	*	S	Bend	trans	-100.3	-8.7	-169.6	-121.8	179.6	-174.9	0	0	118.3
907	F	45.2	Very low	52.4	Low	189 Å²	189	141.1 Å²	141.1	83%	0.829	70%	0.699	S	S	*	*	S	Bend	trans	-134	31.7	-179.3	-79.5	-80	0	0	0	117.3	Y909	F907-Y909 VanDerWaalsContact C-N 3.29Å; F907-Y909 PolarHBondContact O-N 3.3Å
908	G	48.3	Very low	50.8	Low	83 Å²	83	149.1 Å²	149.1	86%	0.856	73%	0.728	S	S	*	*			trans	58.6	16.3	146.5	0	0	0	0	0	119.9
909	Y	34.7	Very low	48.6	Very low	232 Å²	232	157.2 Å²	157.2	91%	0.91	77%	0.766	S	S	*	*			trans	-102.5	105.2	172.1	-95.6	-85.9	0	0	0	110.8	F907	F907-Y909 VanDerWaalsContact C-N 3.29Å; F907-Y909 PolarHBondContact O-N 3.3Å
910	R	38.9	Very low	46.7	Very low	246 Å²	246	162.2 Å²	162.2	93%	0.928	79%	0.794	S	S	*	*			trans	-82.3	132.9	165	-68.2	-178.9	-177.3	173.5	0.8	109
911	R	40.2	Very low	44.6	Very low	326 Å²	326	167.5 Å²	167.5	100%	1.23	83%	0.831	S	S	*	*			trans	-87	0	158.7	-93.5	-173.5	176.1	174.9	1.3	110.3

Retrieved 911 of 911 residues in 2764.2 ms (Link to these results)

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