A0A087XPA2_POEFO Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A087XPA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,132 aa.

						>A0A087XPA2_POEFO|A0A087XPA2
MPIVDKLKEALKPGRKETGDDGDLNKLLASSAKKVLLQKIEFEPASKGFSYQLDSLKNKYVILNPRSEGAAGQKAAEPAQIKRQASENVISSQGDGVPAPQKMLFPGNKLNLKWERVYRVGAGLHNLGNTCFLNSTVQCLTYTPPLANYLLSKEHSRACHQSGFCMICVMQNHIIQAFANTGNAIKPVSFIRDLKKIARHFRFGSQEDAHEFLRYTIDAMQKACLNGYPKLDRQTQATTLVHQIFGGYLRSRVKCSICKSVSDTYDPYLDIAVEIRQAANIVRALELFVKPDVLSGENAYMCAKCKKKVPATKRFTVHRTSNVLTLSLKRFANFSGGKITKDVGYPEFLNIRPYMSQSSGDPVMYGLYAVLVHSGYSCHAGHYYCYVKASNGQWYQMNDSMVHSSNIKVVLNQQAYVLFYLRIPESKKNADGQTTKQGMLHSAKNSASSEQIKRANLNGPLSSPQVAKKLEPAQLRKIQSMDGGLGLPVSRNGVNSQPQPRLSSWTSSSSSNGAPKVPGGPTVIEEPFKKVKKPSPQSQAQSRSTTPTPSSNGVTRTEGDKKQSGEGRGMAASTSFKSLSDSSSADTTDSKESVGPKSEPIRETPSTPRKGSSSLASPARSVERSQSTEEQKTAKLKPPALNNITSEATSIMSPPPAKKLALSAKKAYSQSLSNIDALRHSPKQLPTDPKHQNQLKSPAVASAHHTDRVSPFNPLKAQLSPFSHSCGPHKQPLFSTLQKPKASLSHKTNGLHSPNPTSPKSSSNLGPAAQEPDLNPLAQNVSPKKKKKKRKRRHTEVEDDQETFPSSAPSTQSSPSELAQKKNGKKKRKKKKKRKLEGDDGEKTEEREFVQSHLDVSNQEEDWCRSGLWSLTPHSDAEPSDQKPQEAESVRRKKKKKKKTIEQEASLQEINSRCPTSERDPETKTADICHDAEDLIKVNNKLTIKKKKKKLKEEQRGARKCSEDESAKEPASKKFSTEDRKVGKESTASVVVWDSQVRDGYKRSKAPAAEGSTPANTSNHVVPAGWDGKKSSGVVEELLKNSTNKAYGANVLGWDGEVSAVSRDAIEDVRSAMCDTVIDEWDEDFDRGKVKKVKNYKREKWRSSSSIFQKIQDRRNKWSVTPGAKRVFGVRR
					

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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	47.8	Very low	57	Low	160 Å²	160	94.1 Å²	94.1	79%	0.788	50%	0.498	S	S	*	.				0	134	0	-166	158.7	102.2	0	0	109.2	K6	M1-K6 HydrophobicContact CE-CG 3.77Å
2	P	62.8	Low	57.9	Low	80 Å²	80	97.5 Å²	97.5	52%	0.519	51%	0.505	S	S	.	.			trans	-63.5	147.7	-177	-22	33.9	0	0	0	113.6	V4 D5 K6	P2-V4 PolarHBondContact O-N 3.16Å; P2-D5 WeakPolarHBondContact CB-OD2 3.47Å; P2-D5 WeakPolarHBondContact CD-OD2 3.16Å; P2-D5 WeakPolarHBondContact CG-OD2 3.46Å; P2-D5 PolarHBondContact O-N 2.99Å; P2-D5 VanDerWaalsContact O-N 3.07Å; P2-K6 PolarHBondContact O-N 3.41Å
3	I	50.1	Low	57.2	Low	102 Å²	102	100.7 Å²	100.7	52%	0.523	54%	0.536	S	S	.	.	H	α-helix	trans	-55	-37.7	176.7	-71.5	169.7	0	0	0	111.8	D5 K6 L7 V35	I3-D5 PolarHBondContact O-N 3.35Å; I3-K6 PolarHBondContact O-N 3.01Å; I3-L7 HydrophobicContact CG2-CD1 3.92Å; I3-L7 PolarHBondContact O-N 3.31Å; I3-L7 VanDerWaalsContact O-N 3.08Å; I3-V35 HydrophobicContact CB-CG1 4.44Å; I3-V35 HydrophobicContact CD1-CG1 3.86Å; I3-V35 HydrophobicContact CG1-CG1 3.81Å; I3-V35 HydrophobicContact CG2-CG1 3.87Å
4	V	56.8	Low	56.9	Low	89 Å²	89	98.6 Å²	98.6	54%	0.539	55%	0.55	S	S	.	.	H	α-helix	trans	-57.5	-37	179	177.8	0	0	0	0	112	P2 L7 K8	P2-V4 PolarHBondContact O-N 3.16Å; V4-L7 PolarHBondContact O-N 2.9Å; V4-K8 WeakPolarHBondContact O-CG 3.21Å; V4-K8 PolarHBondContact O-N 3.19Å
5	D	60.7	Low	55.9	Low	58 Å²	58	108.3 Å²	108.3	31%	0.31	58%	0.575	S	S	.	*	H	α-helix	trans	-85.3	-33.1	-172.7	-56.1	-50.8	0	0	0	111.9	P2 I3 L7 K8 E9	P2-D5 WeakPolarHBondContact CB-OD2 3.47Å; P2-D5 WeakPolarHBondContact CD-OD2 3.16Å; P2-D5 WeakPolarHBondContact CG-OD2 3.46Å; P2-D5 PolarHBondContact O-N 2.99Å; P2-D5 VanDerWaalsContact O-N 3.07Å; I3-D5 PolarHBondContact O-N 3.35Å; D5-L7 VanDerWaalsContact C-N 3.31Å; D5-L7 PolarHBondContact O-N 3.09Å; D5-K8 PolarHBondContact O-N 3.39Å; D5-K8 IonicContact OD1-NZ 3.96Å; D5-K8 PolarHBondContact OD1-NZ 3.38Å; D5-E9 WeakPolarHBondContact O-CB 3.17Å; D5-E9 PolarHBondContact O-N 3.2Å
6	K	55.9	Low	55.4	Low	108 Å²	108	113.8 Å²	113.8	47%	0.47	59%	0.592	S	S	.	*	H	α-helix	trans	-60.8	-38.9	165.2	-75.9	-166.3	174.7	-172.3	0	112.2	M1 P2 I3 E9 A10	M1-K6 HydrophobicContact CE-CG 3.77Å; P2-K6 PolarHBondContact O-N 3.41Å; I3-K6 PolarHBondContact O-N 3.01Å; K6-E9 PolarHBondContact O-N 3Å; K6-A10 PolarHBondContact O-N 2.63Å; K6-A10 VanDerWaalsContact O-N 3.07Å
7	L	54.2	Low	54.4	Low	55 Å²	55	117.3 Å²	117.3	29%	0.288	61%	0.605	S	S	.	*	H	α-helix	trans	-69.2	-39.4	175.5	-82.4	166.2	0	0	0	112.8	I3 V4 D5 E9 L11	I3-L7 HydrophobicContact CG2-CD1 3.92Å; I3-L7 PolarHBondContact O-N 3.31Å; I3-L7 VanDerWaalsContact O-N 3.08Å; V4-L7 PolarHBondContact O-N 2.9Å; D5-L7 VanDerWaalsContact C-N 3.31Å; D5-L7 PolarHBondContact O-N 3.09Å; L7-E9 VanDerWaalsContact C-N 3.29Å; L7-E9 PolarHBondContact O-N 3.3Å; L7-L11 WeakPolarHBondContact O-CB 3.31Å; L7-L11 WeakPolarHBondContact O-CD1 3.47Å; L7-L11 VanDerWaalsContact O-CG 3.26Å; L7-L11 WeakPolarHBondContact O-CG 3.35Å; L7-L11 PolarHBondContact O-N 2.73Å
8	K	64.1	Low	54	Low	123 Å²	123	118.2 Å²	118.2	54%	0.535	62%	0.617	S	S	.	*	H	α-helix	trans	-61.9	-38.2	171.8	-74.5	171.6	-170.5	155.6	0	112.1	V4 D5 L11 K12	V4-K8 WeakPolarHBondContact O-CG 3.21Å; V4-K8 PolarHBondContact O-N 3.19Å; D5-K8 PolarHBondContact O-N 3.39Å; D5-K8 IonicContact OD1-NZ 3.96Å; D5-K8 PolarHBondContact OD1-NZ 3.38Å; K8-L11 PolarHBondContact O-N 3.26Å; K8-K12 PolarHBondContact O-N 3.28Å
9	E	62.9	Low	54	Low	104 Å²	104	116.3 Å²	116.3	49%	0.486	63%	0.629	S	S	.	*	H	α-helix	trans	-66.6	-45.9	179.7	-175.7	139.2	-103.3	0	0	112.2	D5 K6 L7 L11 K12	D5-E9 WeakPolarHBondContact O-CB 3.17Å; D5-E9 PolarHBondContact O-N 3.2Å; K6-E9 PolarHBondContact O-N 3Å; L7-E9 VanDerWaalsContact C-N 3.29Å; L7-E9 PolarHBondContact O-N 3.3Å; E9-L11 PolarHBondContact O-N 2.64Å; E9-L11 VanDerWaalsContact O-N 3.15Å; E9-K12 PolarHBondContact O-N 3.21Å; E9-K12 IonicContact OE1-NZ 3.58Å; E9-K12 PolarHBondContact OE1-NZ 2.94Å
10	A	55.3	Low	53.5	Low	67 Å²	67	117.4 Å²	117.4	55%	0.554	63%	0.634	S	S	*	*	H	α-helix	trans	-64.9	-12.1	174.2	0	0	0	0	0	114.3	K6	K6-A10 PolarHBondContact O-N 2.63Å; K6-A10 VanDerWaalsContact O-N 3.07Å
11	L	56.3	Low	53.4	Low	89 Å²	89	119.4 Å²	119.4	47%	0.466	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.5	15	-179	-66.2	172.2	0	0	0	113.4	L7 K8 E9 P13 L28	L7-L11 WeakPolarHBondContact O-CB 3.31Å; L7-L11 WeakPolarHBondContact O-CD1 3.47Å; L7-L11 VanDerWaalsContact O-CG 3.26Å; L7-L11 WeakPolarHBondContact O-CG 3.35Å; L7-L11 PolarHBondContact O-N 2.73Å; K8-L11 PolarHBondContact O-N 3.26Å; E9-L11 PolarHBondContact O-N 2.64Å; E9-L11 VanDerWaalsContact O-N 3.15Å; L11-P13 WeakPolarHBondContact O-CD 3.27Å; L11-L28 HydrophobicContact CD1-CD2 4.2Å; L11-L28 HydrophobicContact CD2-CD2 4.08Å
12	K	67.3	Low	53.7	Low	135 Å²	135	114.1 Å²	114.1	59%	0.587	63%	0.632	S	S	*	*			trans	-70.7	118	170.1	-71.6	169.5	180	167.5	0	109.5	K8 E9 G14	K8-K12 PolarHBondContact O-N 3.28Å; E9-K12 PolarHBondContact O-N 3.21Å; E9-K12 IonicContact OE1-NZ 3.58Å; E9-K12 PolarHBondContact OE1-NZ 2.94Å; K12-G14 PolarHBondContact O-N 3.18Å
13	P	49.5	Very low	53.5	Low	139 Å²	139	113.9 Å²	113.9	90%	0.903	63%	0.626	S	S	*	*			trans	-73.9	87	-180	30	-34.1	0	0	0	110.8	L11	L11-P13 WeakPolarHBondContact O-CD 3.27Å
14	G	53.1	Low	53.9	Low	71 Å²	71	113.9 Å²	113.9	73%	0.732	63%	0.626	S	S	*	*			trans	-115	5.3	-165.7	0	0	0	0	0	116.9	K12	K12-G14 PolarHBondContact O-N 3.18Å
15	R	41.6	Very low	54	Low	244 Å²	244	115.8 Å²	115.8	92%	0.921	63%	0.634	S	S	*	*			trans	-137.7	137.8	165.8	-78.6	-170.4	175.5	-174.9	-2.4	109.7
16	K	47.8	Very low	54.2	Low	197 Å²	197	119.7 Å²	119.7	86%	0.857	65%	0.648	S	S	*	*			trans	-87	128.4	156.1	-66.3	176.7	178.8	177.5	0	106.7
17	E	39.4	Very low	54.5	Low	173 Å²	173	119.4 Å²	119.4	81%	0.808	65%	0.651	S	S	*	*			trans	-153.5	166.3	135.1	-94.1	-40.4	135.1	0	0	108.3
18	T	47.3	Very low	54.8	Low	133 Å²	133	119.8 Å²	119.8	82%	0.816	65%	0.653	S	S	*	*			trans	-91.1	133.9	-163.2	55.9	0	0	0	0	115.3
19	G	52.8	Low	55	Low	82 Å²	82	116.9 Å²	116.9	85%	0.845	65%	0.652	S	S	*	*			trans	94.5	54.1	133.7	0	0	0	0	0	119.9
20	D	44.4	Very low	55.2	Low	138 Å²	138	115.4 Å²	115.4	74%	0.738	65%	0.653	S	S	*	*			trans	-150.2	132.7	144.8	-172.8	11.1	0	0	0	110.5	G22	D20-G22 PolarHBondContact OD1-N 3.24Å
21	D	52.2	Low	55.5	Low	160 Å²	160	114.2 Å²	114.2	86%	0.856	64%	0.64	S	S	*	*	S	Bend	trans	-90.6	-7.2	175.8	-106.8	-53.1	0	0	0	112.5
22	G	52.7	Low	55.8	Low	50 Å²	50	112 Å²	112	52%	0.515	64%	0.635	S	S	.	*	S	Bend	trans	-68.6	-36.6	-175.6	0	0	0	0	0	115.6	D20	D20-G22 PolarHBondContact OD1-N 3.24Å
23	D	58.5	Low	55.9	Low	74 Å²	74	112.4 Å²	112.4	40%	0.396	64%	0.637	S	S	.	*	S	Bend	trans	-90.4	-15.8	-158.3	-144.4	38.3	0	0	0	115.3	N25 K26 L27	D23-N25 VanDerWaalsContact C-N 3.29Å; D23-N25 PolarHBondContact O-N 2.95Å; D23-K26 WeakPolarHBondContact O-CB 3.47Å; D23-K26 PolarHBondContact O-N 3.39Å; D23-K26 WeakPolarHBondContact OD1-CD 3.19Å; D23-K26 IonicContact OD1-NZ 2.75Å; D23-L27 PolarHBondContact O-N 2.77Å
24	L	59.1	Low	56.5	Low	102 Å²	102	114.3 Å²	114.3	53%	0.534	63%	0.631	S	S	.	*	H	α-helix	trans	-59.9	-37.6	-179.1	-179	61.3	0	0	0	112.7	K26 L28	L24-K26 VanDerWaalsContact C-N 3.33Å; L24-L28 HydrophobicContact CG-CD1 4.35Å; L24-L28 WeakPolarHBondContact O-CB 3.39Å; L24-L28 WeakPolarHBondContact O-CG 3.45Å; L24-L28 PolarHBondContact O-N 3.02Å
25	N	58	Low	56.9	Low	129 Å²	129	112.8 Å²	112.8	69%	0.69	61%	0.607	S	S	*	*	H	α-helix	trans	-66.7	-35.7	176.6	-115.3	-21.5	0	0	0	111.9	D23 A29	D23-N25 VanDerWaalsContact C-N 3.29Å; D23-N25 PolarHBondContact O-N 2.95Å; N25-A29 WeakPolarHBondContact O-CB 3.38Å; N25-A29 PolarHBondContact O-N 2.97Å
26	K	66.5	Low	57.6	Low	141 Å²	141	108.1 Å²	108.1	61%	0.613	60%	0.6	S	S	*	*	H	α-helix	trans	-72.4	-40.3	-179.9	-156.4	-172.7	-170.1	179.6	0	111	D23 L24 S30	D23-K26 WeakPolarHBondContact O-CB 3.47Å; D23-K26 PolarHBondContact O-N 3.39Å; D23-K26 WeakPolarHBondContact OD1-CD 3.19Å; D23-K26 IonicContact OD1-NZ 2.75Å; L24-K26 VanDerWaalsContact C-N 3.33Å; K26-S30 VanDerWaalsContact O-CB 3.27Å; K26-S30 WeakPolarHBondContact O-CB 3.36Å; K26-S30 PolarHBondContact O-N 2.84Å; K26-S30 PolarHBondContact O-OG 3.39Å
27	L	61	Low	58.2	Low	101 Å²	101	104.9 Å²	104.9	53%	0.529	59%	0.591	S	S	.	*	H	α-helix	trans	-61.7	-44.9	170.9	-83	160.4	0	0	0	112.4	D23 S30 S31	D23-L27 PolarHBondContact O-N 2.77Å; L27-S30 PolarHBondContact O-N 3.43Å; L27-S31 VanDerWaalsContact O-CB 3.29Å; L27-S31 WeakPolarHBondContact O-CB 3.5Å; L27-S31 PolarHBondContact O-N 3.39Å; L27-S31 PolarHBondContact O-OG 3.31Å
28	L	60.9	Low	58.9	Low	64 Å²	64	102.6 Å²	102.6	34%	0.335	58%	0.581	S	S	.	*	H	α-helix	trans	-62.1	-48.8	175.4	-83.6	165.4	0	0	0	112.1	L11 L24 S30 S31 A32	L11-L28 HydrophobicContact CD1-CD2 4.2Å; L11-L28 HydrophobicContact CD2-CD2 4.08Å; L24-L28 HydrophobicContact CG-CD1 4.35Å; L24-L28 WeakPolarHBondContact O-CB 3.39Å; L24-L28 WeakPolarHBondContact O-CG 3.45Å; L24-L28 PolarHBondContact O-N 3.02Å; L28-S30 PolarHBondContact O-N 3.27Å; L28-S31 PolarHBondContact O-N 3.44Å; L28-A32 WeakPolarHBondContact O-CB 3.44Å; L28-A32 PolarHBondContact O-N 2.93Å
29	A	68.9	Low	58.9	Low	62 Å²	62	104.3 Å²	104.3	51%	0.512	58%	0.577	S	S	.	*	H	α-helix	trans	-61.2	-43.4	178	0	0	0	0	0	112.2	N25 K33	N25-A29 WeakPolarHBondContact O-CB 3.38Å; N25-A29 PolarHBondContact O-N 2.97Å; A29-K33 WeakPolarHBondContact O-CB 3.5Å; A29-K33 PolarHBondContact O-N 3.1Å
30	S	66	Low	58.9	Low	73 Å²	73	106.3 Å²	106.3	51%	0.51	57%	0.567	S	S	.	*	H	α-helix	trans	-64.5	-43.8	178.1	-59.1	0	0	0	0	111.8	K26 L27 L28 K33 K34	K26-S30 VanDerWaalsContact O-CB 3.27Å; K26-S30 WeakPolarHBondContact O-CB 3.36Å; K26-S30 PolarHBondContact O-N 2.84Å; K26-S30 PolarHBondContact O-OG 3.39Å; L27-S30 PolarHBondContact O-N 3.43Å; L28-S30 PolarHBondContact O-N 3.27Å; S30-K33 PolarHBondContact O-N 3.34Å; S30-K34 WeakPolarHBondContact O-CB 3.43Å; S30-K34 PolarHBondContact O-N 3.27Å
31	S	62.6	Low	58.7	Low	41 Å²	41	106.6 Å²	106.6	29%	0.287	56%	0.564	S	S	.	*	H	α-helix	trans	-64.8	-44.9	178.2	-59.5	0	0	0	0	111.8	L27 L28 K34 V35	L27-S31 VanDerWaalsContact O-CB 3.29Å; L27-S31 WeakPolarHBondContact O-CB 3.5Å; L27-S31 PolarHBondContact O-N 3.39Å; L27-S31 PolarHBondContact O-OG 3.31Å; L28-S31 PolarHBondContact O-N 3.44Å; S31-K34 PolarHBondContact O-N 3.35Å; S31-V35 WeakPolarHBondContact O-CG2 3.22Å; S31-V35 PolarHBondContact O-N 3.03Å; S31-V35 VanDerWaalsContact O-N 3.13Å
32	A	61.7	Low	58.1	Low	42 Å²	42	107.7 Å²	107.7	35%	0.347	56%	0.561	S	S	.	*	H	α-helix	trans	-62.1	-44.7	176.2	0	0	0	0	0	111.9	L28 K34 V35 L36	L28-A32 WeakPolarHBondContact O-CB 3.44Å; L28-A32 PolarHBondContact O-N 2.93Å; A32-K34 VanDerWaalsContact C-N 3.34Å; A32-K34 PolarHBondContact O-N 3.31Å; A32-V35 PolarHBondContact O-N 3.15Å; A32-L36 WeakPolarHBondContact O-CB 3.26Å; A32-L36 WeakPolarHBondContact O-CG 3.34Å; A32-L36 PolarHBondContact O-N 3.19Å
33	K	69.3	Low	57.5	Low	144 Å²	144	114.2 Å²	114.2	63%	0.626	58%	0.578	S	S	*	*	H	α-helix	trans	-62	-39.5	177.2	-169.5	174.9	-178.1	-177.9	0	112	A29 S30 V35 L36 L37	A29-K33 WeakPolarHBondContact O-CB 3.5Å; A29-K33 PolarHBondContact O-N 3.1Å; S30-K33 PolarHBondContact O-N 3.34Å; K33-V35 PolarHBondContact O-N 3.39Å; K33-L36 PolarHBondContact O-N 3.19Å; K33-L37 HydrophobicContact CG-CD1 3.85Å; K33-L37 WeakPolarHBondContact O-CB 3.47Å; K33-L37 WeakPolarHBondContact O-CG 3.34Å; K33-L37 PolarHBondContact O-N 2.89Å; K33-L37 VanDerWaalsContact O-N 3.15Å
34	K	62.6	Low	56.6	Low	179 Å²	179	116.6 Å²	116.6	78%	0.778	60%	0.598	S	S	*	*	H	α-helix	trans	-69.2	-30.2	178.9	-152.1	170.3	-170.6	176.2	0	113	S30 S31 A32	S30-K34 WeakPolarHBondContact O-CB 3.43Å; S30-K34 PolarHBondContact O-N 3.27Å; S31-K34 PolarHBondContact O-N 3.35Å; A32-K34 VanDerWaalsContact C-N 3.34Å; A32-K34 PolarHBondContact O-N 3.31Å
35	V	61.9	Low	55.8	Low	39 Å²	39	116.4 Å²	116.4	24%	0.236	61%	0.611	C	S	.	*	H	α-helix	trans	-76.6	-42.3	172.7	172.1	0	0	0	0	112	I3 S31 A32 K33 L37 Q38	I3-V35 HydrophobicContact CB-CG1 4.44Å; I3-V35 HydrophobicContact CD1-CG1 3.86Å; I3-V35 HydrophobicContact CG1-CG1 3.81Å; I3-V35 HydrophobicContact CG2-CG1 3.87Å; S31-V35 WeakPolarHBondContact O-CG2 3.22Å; S31-V35 PolarHBondContact O-N 3.03Å; S31-V35 VanDerWaalsContact O-N 3.13Å; A32-V35 PolarHBondContact O-N 3.15Å; K33-V35 PolarHBondContact O-N 3.39Å; V35-L37 VanDerWaalsContact C-N 3.29Å; V35-L37 PolarHBondContact O-N 2.8Å; V35-Q38 PolarHBondContact O-N 3.34Å
36	L	55.5	Low	55.2	Low	147 Å²	147	116 Å²	116	77%	0.77	62%	0.618	S	S	*	*	H	α-helix	trans	-70.8	-21.4	-177.7	-72.1	169.1	0	0	0	114	A32 K33	A32-L36 WeakPolarHBondContact O-CB 3.26Å; A32-L36 WeakPolarHBondContact O-CG 3.34Å; A32-L36 PolarHBondContact O-N 3.19Å; K33-L36 PolarHBondContact O-N 3.19Å
37	L	61.1	Low	54.1	Low	129 Å²	129	117.9 Å²	117.9	68%	0.675	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	3.2	177.1	-64	175.4	0	0	0	113.6	K33 V35 K39	K33-L37 HydrophobicContact CG-CD1 3.85Å; K33-L37 WeakPolarHBondContact O-CB 3.47Å; K33-L37 WeakPolarHBondContact O-CG 3.34Å; K33-L37 PolarHBondContact O-N 2.89Å; K33-L37 VanDerWaalsContact O-N 3.15Å; V35-L37 VanDerWaalsContact C-N 3.29Å; V35-L37 PolarHBondContact O-N 2.8Å; L37-K39 PolarHBondContact O-N 3.02Å
38	Q	54.3	Low	53	Low	125 Å²	125	116.7 Å²	116.7	58%	0.584	64%	0.638	S	S	*	*	S	Bend	trans	-75.4	107.7	176.2	-172.8	158.1	24.7	0	0	109.7	V35 I40	V35-Q38 PolarHBondContact O-N 3.34Å; Q38-I40 PolarHBondContact O-N 3.11Å
39	K	47.3	Very low	51.8	Low	169 Å²	169	123.6 Å²	123.6	74%	0.735	67%	0.666	S	S	*	*			trans	-53.1	120.3	177.5	-168	-169.9	-176.7	-160.4	0	109.7	L37 E41	L37-K39 PolarHBondContact O-N 3.02Å; K39-E41 HydrophobicContact CD-CG 4.43Å; K39-E41 WeakPolarHBondContact CE-OE1 3.48Å; K39-E41 IonicContact NZ-OE1 3.91Å; K39-E41 PolarHBondContact NZ-OE1 3.12Å
40	I	53.6	Low	50.8	Low	124 Å²	124	126 Å²	126	64%	0.636	68%	0.679	S	S	*	*			trans	-99.2	110.6	175.9	-53.1	179.2	0	0	0	107.7	Q38 F42	Q38-I40 PolarHBondContact O-N 3.11Å; I40-F42 HydrophobicContact CB-CE2 4.03Å; I40-F42 HydrophobicContact CG2-CD2 3.88Å; I40-F42 HydrophobicContact CG2-CE2 3.47Å; I40-F42 VanDerWaalsContact CG2-CE2 3.47Å; I40-F42 HydrophobicContact CG2-CZ 3.9Å
41	E	38.9	Very low	49.5	Very low	144 Å²	144	133.2 Å²	133.2	67%	0.673	70%	0.696	S	S	*	*			trans	-89	140	169.2	-71.6	170	172.9	0	0	108.9	K39	K39-E41 HydrophobicContact CD-CG 4.43Å; K39-E41 WeakPolarHBondContact CE-OE1 3.48Å; K39-E41 IonicContact NZ-OE1 3.91Å; K39-E41 PolarHBondContact NZ-OE1 3.12Å
42	F	40.1	Very low	48.4	Very low	183 Å²	183	139.1 Å²	139.1	80%	0.803	72%	0.72	S	S	*	*			trans	-120.1	111.6	-171.6	-83.4	-91.2	0	0	0	109.8	I40	I40-F42 HydrophobicContact CB-CE2 4.03Å; I40-F42 HydrophobicContact CG2-CD2 3.88Å; I40-F42 HydrophobicContact CG2-CE2 3.47Å; I40-F42 VanDerWaalsContact CG2-CE2 3.47Å; I40-F42 HydrophobicContact CG2-CZ 3.9Å
43	E	40.6	Very low	47.8	Very low	186 Å²	186	143.2 Å²	143.2	87%	0.869	74%	0.735	S	S	*	*			trans	-94	143.1	165.9	-65.3	-161.8	140.2	0	0	111.2	A45	E43-A45 PolarHBondContact O-N 3.33Å
44	P	39.2	Very low	46.7	Very low	125 Å²	125	141.8 Å²	141.8	81%	0.812	73%	0.734	S	S	*	*			trans	-67.8	120.7	174.1	-19.1	32.6	0	0	0	112	S46	P44-S46 PolarHBondContact O-N 3.41Å; P44-S46 VanDerWaalsContact O-N 3.16Å
45	A	42.5	Very low	46	Very low	98 Å²	98	137.8 Å²	137.8	81%	0.81	73%	0.729	S	S	*	*			trans	-67.5	112.7	176.6	0	0	0	0	0	111.3	E43 K47	E43-A45 PolarHBondContact O-N 3.33Å; A45-K47 PolarHBondContact O-N 3.46Å
46	S	45.8	Very low	45.3	Very low	119 Å²	119	139.9 Å²	139.9	83%	0.832	74%	0.738	S	S	*	*	S	Bend	trans	-80.3	-8	-167.8	55.7	0	0	0	0	116	P44	P44-S46 PolarHBondContact O-N 3.41Å; P44-S46 VanDerWaalsContact O-N 3.16Å
47	K	43.4	Very low	45	Very low	181 Å²	181	139.2 Å²	139.2	79%	0.787	73%	0.729	S	S	*	*	S	Bend	trans	-140.4	137.7	173.7	-66	-173.8	-179.8	177.3	0	111.4	A45	A45-K47 PolarHBondContact O-N 3.46Å
48	G	36.9	Very low	44.3	Very low	76 Å²	76	140.4 Å²	140.4	78%	0.784	74%	0.736	S	S	*	*			trans	-83.5	125.5	-173.6	0	0	0	0	0	114.2	S50	G48-S50 PolarHBondContact O-N 3.19Å
49	F	35.2	Very low	43.8	Very low	210 Å²	210	142.3 Å²	142.3	92%	0.921	74%	0.742	S	S	*	*			trans	-75.1	88	176.8	-85.2	-88	0	0	0	112.7	Y51	F49-Y51 PolarHBondContact O-N 2.91Å
50	S	49.4	Very low	43.8	Very low	111 Å²	111	142.3 Å²	142.3	78%	0.776	74%	0.739	S	S	*	*			trans	-89.6	69.5	179.3	-178.6	0	0	0	0	113.5	G48	G48-S50 PolarHBondContact O-N 3.19Å
51	Y	38.4	Very low	43.6	Very low	225 Å²	225	142.4 Å²	142.4	88%	0.882	75%	0.745	S	S	*	*	S	Bend	trans	-162.7	69.5	153.9	-131.7	-88.6	0	0	0	114.8	F49	F49-Y51 PolarHBondContact O-N 2.91Å
52	Q	39.4	Very low	44	Very low	166 Å²	166	142.3 Å²	142.3	78%	0.776	75%	0.748	S	S	*	*	S	Bend	trans	-164.6	-13.3	164.2	-117.5	165.1	44.5	0	0	116.6	D54	Q52-D54 PolarHBondContact O-N 3.1Å
53	L	47.7	Very low	43.6	Very low	128 Å²	128	140.8 Å²	140.8	67%	0.67	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-33	-168.7	-80	166.2	0	0	0	115.5	S55 L56 K57	L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 2.71Å; L53-L56 PolarHBondContact O-N 3.45Å; L53-K57 PolarHBondContact O-N 2.82Å; L53-K57 VanDerWaalsContact O-N 3.1Å
54	D	47.9	Very low	43.4	Very low	113 Å²	113	138.5 Å²	138.5	60%	0.604	74%	0.741	S	S	*	*	H	α-helix	trans	-66.4	-31.4	-174.1	-73.4	-29.7	0	0	0	113.9	Q52 L56 K57	Q52-D54 PolarHBondContact O-N 3.1Å; D54-L56 PolarHBondContact O-N 3.31Å; D54-K57 VanDerWaalsContact OD1-CD 3.31Å; D54-K57 WeakPolarHBondContact OD1-CD 3.44Å; D54-K57 WeakPolarHBondContact OD1-CE 3.5Å; D54-K57 IonicContact OD1-NZ 2.63Å; D54-K57 PolarHBondContact OD1-NZ 2.75Å
55	S	47.2	Very low	43.5	Very low	95 Å²	95	138.5 Å²	138.5	66%	0.664	74%	0.741	S	S	*	*	H	α-helix	trans	-68.6	-18.8	174.8	-162.4	0	0	0	0	112.8	L53	L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 2.71Å
56	L	46.6	Very low	43	Very low	84 Å²	84	144.7 Å²	144.7	44%	0.44	74%	0.743	S	S	.	*	H	α-helix	trans	-99.8	-25.4	-179.2	-65.8	172.3	0	0	0	113.7	L53 D54 N58 K59 Y60	L53-L56 PolarHBondContact O-N 3.45Å; D54-L56 PolarHBondContact O-N 3.31Å; L56-N58 PolarHBondContact O-N 3.45Å; L56-K59 PolarHBondContact O-N 2.78Å; L56-Y60 HydrophobicContact CD2-CE2 4.4Å; L56-Y60 PolarHBondContact O-N 2.89Å
57	K	50.5	Low	42.6	Very low	132 Å²	132	144.6 Å²	144.6	57%	0.574	74%	0.742	S	S	*	*	H	α-helix	trans	-53	-35.9	174.2	-72.7	177	-173.3	167.4	0	112.5	L53 D54 K59	L53-K57 PolarHBondContact O-N 2.82Å; L53-K57 VanDerWaalsContact O-N 3.1Å; D54-K57 VanDerWaalsContact OD1-CD 3.31Å; D54-K57 WeakPolarHBondContact OD1-CD 3.44Å; D54-K57 WeakPolarHBondContact OD1-CE 3.5Å; D54-K57 IonicContact OD1-NZ 2.63Å; D54-K57 PolarHBondContact OD1-NZ 2.75Å; K57-K59 PolarHBondContact O-N 3.41Å
58	N	45	Very low	42.1	Very low	154 Å²	154	144.2 Å²	144.2	82%	0.824	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	0.1	178	-73.3	-25.3	0	0	0	115.2	L56	L56-N58 PolarHBondContact O-N 3.45Å
59	K	43.4	Very low	41.7	Very low	165 Å²	165	144.2 Å²	144.2	72%	0.717	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.6	-14.7	179.5	-74.4	176.7	-179.9	166.6	0	114.8	L56 K57	L56-K59 PolarHBondContact O-N 2.78Å; K57-K59 PolarHBondContact O-N 3.41Å
60	Y	48.7	Very low	41.5	Very low	169 Å²	169	139.1 Å²	139.1	66%	0.663	74%	0.74	S	S	*	*			trans	-136.7	128.3	-175.6	-62.2	-80.8	0	0	0	112	L56	L56-Y60 HydrophobicContact CD2-CE2 4.4Å; L56-Y60 PolarHBondContact O-N 2.89Å
61	V	48.5	Very low	40.6	Very low	126 Å²	126	139.1 Å²	139.1	76%	0.764	75%	0.747	S	S	*	*			trans	-88.4	123.2	173.6	178	0	0	0	0	109.1	L63	V61-L63 HydrophobicContact CG1-CD2 4.16Å; V61-L63 HydrophobicContact CG1-CG 4.48Å; V61-L63 PolarHBondContact O-N 2.97Å
62	I	47.5	Very low	40.2	Very low	142 Å²	142	131.8 Å²	131.8	73%	0.728	74%	0.739	S	S	*	*			trans	-75.9	111.5	176.5	-58.7	175.5	0	0	0	108.9	N64	I62-N64 PolarHBondContact O-N 2.81Å
63	L	32.7	Very low	39.8	Very low	151 Å²	151	132.9 Å²	132.9	79%	0.791	75%	0.745	S	S	*	*			trans	-97.8	59.3	-179.6	-68.6	174.9	0	0	0	111.9	V61	V61-L63 HydrophobicContact CG1-CD2 4.16Å; V61-L63 HydrophobicContact CG1-CG 4.48Å; V61-L63 PolarHBondContact O-N 2.97Å
64	N	35.5	Very low	38.8	Very low	139 Å²	139	136.5 Å²	136.5	74%	0.743	76%	0.755	S	S	*	*			trans	164.8	109	153	-88.5	-14.3	0	0	0	109.5	I62	I62-N64 PolarHBondContact O-N 2.81Å
65	P	40.5	Very low	37.9	Very low	124 Å²	124	135.7 Å²	135.7	81%	0.805	76%	0.764	S	S	*	*			trans	-74.7	126.1	157.7	31	-29.7	0	0	0	108.9
66	R	33.4	Very low	37	Very low	228 Å²	228	136.2 Å²	136.2	86%	0.86	77%	0.774	S	S	*	*			trans	-82.3	151.3	162.4	-84	-167	174.3	-160.9	1.5	109.4
67	S	37.1	Very low	36.2	Very low	117 Å²	117	140 Å²	140	82%	0.818	79%	0.789	S	S	*	*			trans	-127.2	95.6	-169.4	55.4	0	0	0	0	111.7
68	E	31.6	Very low	35.6	Very low	174 Å²	174	139.3 Å²	139.3	81%	0.813	80%	0.799	S	S	*	*			trans	-144.5	152.2	173.9	-68.2	167.2	-153.9	0	0	106.6
69	G	29.8	Very low	34.8	Very low	75 Å²	75	135.4 Å²	135.4	77%	0.773	79%	0.787	S	S	*	*			cis	173.9	56.1	0.5	0	0	0	0	0	115.4
70	A	31.4	Very low	34	Very low	104 Å²	104	136.4 Å²	136.4	86%	0.86	80%	0.795	S	S	*	*			trans	71.4	166.1	170.2	0	0	0	0	0	119.4
71	A	29.5	Very low	33.2	Very low	111 Å²	111	136.9 Å²	136.9	92%	0.917	81%	0.807	S	S	*	*			trans	62.7	139.8	-176.8	0	0	0	0	0	117.6
72	G	29.4	Very low	32.3	Very low	70 Å²	70	139.3 Å²	139.3	72%	0.722	81%	0.807	S	S	*	*			cis	178.4	143.7	-11.8	0	0	0	0	0	114.4
73	Q	31.6	Very low	31.5	Very low	190 Å²	190	144.3 Å²	144.3	89%	0.888	82%	0.817	S	S	*	*			trans	72.1	128.5	165.2	-51.8	-164.5	11.5	0	0	121.8
74	K	28	Very low	31.4	Very low	204 Å²	204	145.9 Å²	145.9	89%	0.887	82%	0.82	S	S	*	*			trans	21.6	146.9	135.3	-67.4	-178.9	178.9	-179.5	0	120.9
75	A	28.3	Very low	31	Very low	96 Å²	96	143.6 Å²	143.6	79%	0.793	82%	0.821	S	S	*	*			cis	-170.8	-173.6	-7.2	0	0	0	0	0	111.1
76	A	28.9	Very low	30.5	Very low	106 Å²	106	143.6 Å²	143.6	88%	0.876	82%	0.824	S	S	*	*			trans	106.8	128.2	166.9	0	0	0	0	0	118.4
77	E	28.1	Very low	30.3	Very low	162 Å²	162	140.7 Å²	140.7	76%	0.757	82%	0.82	S	S	*	*			trans	-85.9	169.1	168.1	-107.4	-92.3	133.5	0	0	108.8	A79	E77-A79 PolarHBondContact OE2-N 3.36Å
78	P	38.5	Very low	29.7	Very low	119 Å²	119	142.9 Å²	142.9	77%	0.773	82%	0.822	S	S	*	*			cis	-149.5	170.3	46.6	42.5	-21.3	0	0	0	121.8
79	A	28.1	Very low	29.7	Very low	71 Å²	71	139.8 Å²	139.8	59%	0.587	82%	0.815	S	S	*	*			trans	90	88	140	0	0	0	0	0	121.3	E77	E77-A79 PolarHBondContact OE2-N 3.36Å
80	Q	27.9	Very low	29.7	Very low	186 Å²	186	143.4 Å²	143.4	87%	0.869	82%	0.815	S	S	*	*				49	111.6	126.7	-57.5	-175.4	23.5	0	0	121.5
81	I	31	Very low	29.9	Very low	179 Å²	179	143.9 Å²	143.9	92%	0.918	81%	0.812	S	S	*	*				-131.8	135.4	121.1	-67.2	-169.6	0	0	0	110.2
82	K	29.5	Very low	30	Very low	177 Å²	177	143.5 Å²	143.5	77%	0.77	80%	0.803	S	S	*	*			trans	-76.5	119.8	-167	-176.3	179.6	-174.1	174.2	0	114.4
83	R	31.7	Very low	30.7	Very low	247 Å²	247	148.9 Å²	148.9	93%	0.932	81%	0.809	S	S	*	*			trans	-139.4	117.5	155.2	-84.7	-166.6	171.4	177.3	-0.3	111.8
84	Q	29.1	Very low	31.9	Very low	184 Å²	184	143.3 Å²	143.3	86%	0.86	80%	0.803	S	S	*	*			trans	-86.6	121.7	172.5	-71	170	-50.6	0	0	110.3
85	A	28.7	Very low	34.2	Very low	92 Å²	92	136.2 Å²	136.2	76%	0.76	77%	0.774	S	S	*	*			trans	-142.6	119.3	157.8	0	0	0	0	0	106.5	E87	A85-E87 PolarHBondContact O-N 3.25Å
86	S	28.8	Very low	36.5	Very low	124 Å²	124	133.6 Å²	133.6	87%	0.867	76%	0.757	S	S	*	*			trans	-70.9	116	-173.9	52.3	0	0	0	0	110.8
87	E	29.5	Very low	39	Very low	166 Å²	166	129 Å²	129	78%	0.776	72%	0.718	S	S	*	*			trans	-70.4	136.9	171	-68.8	-170.2	118.1	0	0	111.3	A85 V89	A85-E87 PolarHBondContact O-N 3.25Å; E87-V89 HydrophobicContact CB-CG2 4.33Å
88	N	25.4	Very low	41.5	Very low	163 Å²	163	125 Å²	125	87%	0.872	71%	0.706	S	S	*	*			trans	-143.7	76.4	160.9	-116.2	-30.5	0	0	0	106.6	I90	N88-I90 PolarHBondContact O-N 3.07Å
89	V	31.7	Very low	43.5	Very low	109 Å²	109	123.3 Å²	123.3	66%	0.661	70%	0.702	S	S	*	*			trans	-78.7	87.3	-172.1	-177.4	0	0	0	0	109.9	E87	E87-V89 HydrophobicContact CB-CG2 4.33Å
90	I	28.9	Very low	46.2	Very low	152 Å²	152	122 Å²	122	78%	0.779	69%	0.687	S	S	*	*			trans	-81.4	120.9	155.9	-61.9	178	0	0	0	106.9	N88 S92	N88-I90 PolarHBondContact O-N 3.07Å; I90-S92 PolarHBondContact O-N 3.08Å
91	S	34.6	Very low	48.7	Very low	113 Å²	113	121.3 Å²	121.3	79%	0.79	69%	0.685	S	S	*	*			trans	-67.5	69.6	-179.7	-62.3	0	0	0	0	112.9	Q93	S91-Q93 PolarHBondContact O-N 3.44Å
92	S	32.6	Very low	51.2	Low	104 Å²	104	117.7 Å²	117.7	73%	0.727	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-70.2	122	176	-170.5	0	0	0	0	110.4	I90 G94	I90-S92 PolarHBondContact O-N 3.08Å; S92-G94 PolarHBondContact O-N 2.75Å
93	Q	44.8	Very low	53.8	Low	182 Å²	182	114.3 Å²	114.3	85%	0.85	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-56.9	121.4	163.3	-66.7	176.9	-7	0	0	108.2	S91 D95	S91-Q93 PolarHBondContact O-N 3.44Å; Q93-D95 PolarHBondContact O-N 3.49Å
94	G	56.8	Low	56.2	Low	73 Å²	73	104.6 Å²	104.6	75%	0.753	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-54.8	130.8	179.7	0	0	0	0	0	111	S92 G96	S92-G94 PolarHBondContact O-N 2.75Å; G94-G96 PolarHBondContact O-N 3.28Å
95	D	75.4	Confident	58.9	Low	55 Å²	55	96.9 Å²	96.9	29%	0.294	58%	0.58	S	S	.	*			trans	-65.4	-9.7	-166.6	73.6	-5.9	0	0	0	114.9	Q93 V97 Y265 H318 R319	Q93-D95 PolarHBondContact O-N 3.49Å; D95-V97 PolarHBondContact OD1-N 3.01Å; D95-Y265 PolarHBondContact O-OH 2.81Å; D95-Y265 VanDerWaalsContact O-OH 3.07Å; D95-H318 PolarHBondContact O-CE1 3.31Å; D95-H318 VanDerWaalsContact O-CE1 3.25Å; D95-H318 PolarHBondContact O-NE2 2.86Å; D95-H318 IonicContact OD1-NE2 3.45Å; D95-H318 IonicContact OD2-NE2 2.78Å; D95-R319 IonicContact OD1-CZ 2.91Å; D95-R319 IonicContact OD1-NH2 2.89Å; D95-R319 PolarHBondContact OD1-NH2 3.48Å; D95-R319 IonicContact OD2-CZ 3.3Å; D95-R319 IonicContact OD2-NE 3.82Å; D95-R319 PolarHBondContact OD2-NE 3.26Å; D95-R319 IonicContact OD2-NH2 3.41Å; D95-R319 PolarHBondContact OD2-NH2 3.1Å
96	G	75.7	Confident	61.4	Low	42 Å²	42	94.5 Å²	94.5	43%	0.433	56%	0.557	S	S	.	*	S	Bend	trans	102.5	-8.4	178.3	0	0	0	0	0	113.3	G94 Y265	G94-G96 PolarHBondContact O-N 3.28Å; G96-Y265 VanDerWaalsContact O-CD2 3.26Å; G96-Y265 WeakPolarHBondContact O-CD2 3.41Å; G96-Y265 WeakPolarHBondContact O-CE2 3.38Å
97	V	82.4	Confident	63.7	Low	9 Å²	9	90.2 Å²	90.2	6%	0.055	53%	0.533	C	S	.	.	S	Bend	trans	-96.9	115.6	169.2	176.2	0	0	0	0	108.3	D95 Y248 Y265 R319	D95-V97 PolarHBondContact OD1-N 3.01Å; V97-Y248 HydrophobicContact CG1-CD1 4.27Å; V97-Y248 HydrophobicContact CG1-CE1 3.81Å; V97-Y248 HydrophobicContact CG2-CD1 4.09Å; V97-Y248 HydrophobicContact CG2-CE1 4.43Å; V97-Y248 HydrophobicContact CG2-CG 4.46Å; V97-Y265 HydrophobicContact CG2-CD1 3.92Å; V97-Y265 HydrophobicContact CG2-CD2 3.97Å; V97-Y265 HydrophobicContact CG2-CG 3.57Å; V97-R319 PolarHBondContact O-NH2 2.83Å
98	P	80.3	Confident	66.2	Low	78 Å²	78	89.3 Å²	89.3	51%	0.506	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-53	145.8	179.7	-27.9	34.6	0	0	0	112.9	Q234	P98-Q234 HydrophobicContact CB-CG 4.49Å; P98-Q234 WeakPolarHBondContact O-CG 3.44Å
99	A	81.8	Confident	69	Low	83 Å²	83	88 Å²	88	69%	0.686	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-61.4	141.9	173.1	0	0	0	0	0	110.6
100	P	84	Confident	71.7	Confident	43 Å²	43	83.8 Å²	83.8	28%	0.279	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-69.3	142.9	174.3	31.1	-35.3	0	0	0	110.5	K102 Q234 T238	P100-K102 VanDerWaalsContact C-N 3.33Å; P100-Q234 HydrophobicContact CB-CB 4.13Å; P100-T238 HydrophobicContact CB-CG2 3.67Å; P100-T238 HydrophobicContact CG-CG2 3.72Å
101	Q	81.1	Confident	74.6	Confident	173 Å²	173	79.7 Å²	79.7	81%	0.808	47%	0.473	S	S	*	.	S	Bend	trans	-71.3	-29.7	179.3	-64.2	-173.6	-20.3	0	0	112.6	T235	Q101-T235 PolarHBondContact N-OG1 2.76Å; Q101-T235 VanDerWaalsContact N-OG1 3.16Å
102	K	82.3	Confident	77.4	Confident	102 Å²	102	75.5 Å²	75.5	44%	0.443	44%	0.442	S	S	.	.	S	Bend	trans	-138.3	147.4	172.8	-175.1	179.8	-177.9	-176.8	0	109.3	P100 L104 Y228 T235 T238	P100-K102 VanDerWaalsContact C-N 3.33Å; K102-L104 HydrophobicContact CD-CD2 4.14Å; K102-L104 HydrophobicContact CG-CD2 4.47Å; K102-Y228 PolarHBondContact NZ-OH 2.58Å; K102-T235 HydrophobicContact CB-CG2 3.92Å; K102-T235 PolarHBondContact N-OG1 2.91Å; K102-T235 VanDerWaalsContact N-OG1 3.11Å; K102-T235 WeakPolarHBondContact O-CG2 3.48Å; K102-T235 PolarHBondContact O-OG1 2.74Å; K102-T238 PolarHBondContact O-OG1 3.43Å
103	M	83.8	Confident	80.3	Confident	107 Å²	107	77.3 Å²	77.3	53%	0.527	44%	0.437	S	S	.	.			trans	-99	117	168.7	-164.8	170.1	-71.6	0	0	108.8	P106 T238	M103-P106 HydrophobicContact CG-CB 4.42Å; M103-P106 HydrophobicContact SD-CB 3.8Å; M103-T238 HydrophobicContact CG-CG2 4.46Å
104	L	83.4	Confident	82.6	Confident	42 Å²	42	71 Å²	71	22%	0.22	41%	0.405	C	S	.	.	S	Bend	trans	-82.6	-41.1	-177.3	-63	178.3	0	0	0	112.2	K102 L225 Y228 L231 T235 T238 T239	K102-L104 HydrophobicContact CD-CD2 4.14Å; K102-L104 HydrophobicContact CG-CD2 4.47Å; L104-L225 HydrophobicContact CD1-CD2 3.69Å; L104-Y228 HydrophobicContact CD2-CD2 4.48Å; L104-Y228 HydrophobicContact CD2-CE1 4.46Å; L104-Y228 HydrophobicContact CD2-CE2 4.08Å; L104-L231 HydrophobicContact CD1-CD1 3.93Å; L104-L231 HydrophobicContact CD2-CD1 4.49Å; L104-T235 HydrophobicContact CD1-CG2 4.18Å; L104-T235 HydrophobicContact CD2-CG2 4.18Å; L104-T235 HydrophobicContact CG-CG2 3.94Å; L104-T238 PolarHBondContact N-OG1 3.07Å; L104-T239 HydrophobicContact CD1-CG2 3.76Å
105	F	84.3	Confident	84.2	Confident	22 Å²	22	72.3 Å²	72.3	10%	0.096	39%	0.392	C	S	.	.	S	Bend	trans	-131.9	120.1	170.4	-168.2	-86.5	0	0	0	108.9	K109 L110 Y149 T238 L240 Q243	F105-K109 HydrophobicContact CE1-CB 3.84Å; F105-K109 HydrophobicContact CZ-CB 3.68Å; F105-L110 HydrophobicContact CE1-CB 4.31Å; F105-Y149 HydrophobicContact CE2-CD2 4.08Å; F105-Y149 AromaticContact CE2-CE2 3.82Å; F105-Y149 HydrophobicContact CE2-CE2 3.82Å; F105-Y149 HydrophobicContact CZ-CD2 4.3Å; F105-Y149 HydrophobicContact CZ-CE2 4.49Å; F105-T238 WeakPolarHBondContact CA-O 3.27Å; F105-T238 WeakPolarHBondContact CB-O 3.47Å; F105-T238 PolarHBondContact N-O 2.86Å; F105-T238 VanDerWaalsContact O-O 3.09Å; F105-L240 HydrophobicContact CB-CB 4.45Å; F105-L240 HydrophobicContact CD1-CD1 4.22Å; F105-L240 HydrophobicContact CD2-CB 4.21Å; F105-L240 HydrophobicContact CD2-CD1 4.2Å; F105-L240 HydrophobicContact CE1-CD1 3.9Å; F105-L240 HydrophobicContact CE2-CD1 3.87Å; F105-L240 HydrophobicContact CG-CB 4.18Å; F105-L240 HydrophobicContact CG-CD1 4.36Å; F105-L240 HydrophobicContact CZ-CD1 3.71Å; F105-Q243 HydrophobicContact CB-CG 4.49Å; F105-Q243 HydrophobicContact CD1-CB 4.47Å; F105-Q243 HydrophobicContact CD1-CG 4.22Å; F105-Q243 PolarHBondContact O-NE2 2.98Å
106	P	82.4	Confident	84.9	Confident	42 Å²	42	76.2 Å²	76.2	27%	0.273	40%	0.402	S	S	.	.			trans	-81.9	132.4	-179.2	34.3	-35.1	0	0	0	111	M103 N108 K109	M103-P106 HydrophobicContact CG-CB 4.42Å; M103-P106 HydrophobicContact SD-CB 3.8Å; P106-N108 WeakPolarHBondContact CB-OD1 3.37Å; P106-N108 PolarHBondContact O-N 3.22Å; P106-N108 VanDerWaalsContact O-N 3.09Å; P106-K109 HydrophobicContact CG-CD 4.09Å; P106-K109 HydrophobicContact CG-CG 4.12Å; P106-K109 PolarHBondContact O-N 2.94Å; P106-K109 VanDerWaalsContact O-N 3.08Å
107	G	77.9	Confident	85.7	Confident	35 Å²	35	79.4 Å²	79.4	36%	0.361	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-62.7	-18.6	-173.1	0	0	0	0	0	115	K109 L110	G107-K109 PolarHBondContact O-N 2.75Å; G107-L110 WeakPolarHBondContact O-CB 3.35Å; G107-L110 PolarHBondContact O-N 2.94Å; G107-L110 VanDerWaalsContact O-N 3.16Å
108	N	80.7	Confident	86.2	Confident	146 Å²	146	80.5 Å²	80.5	78%	0.781	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-69.6	-16.3	175.1	67.1	-19	0	0	0	113.9	P106 L110	P106-N108 WeakPolarHBondContact CB-OD1 3.37Å; P106-N108 PolarHBondContact O-N 3.22Å; P106-N108 VanDerWaalsContact O-N 3.09Å; N108-L110 VanDerWaalsContact C-N 3.31Å
109	K	83.7	Confident	86.8	Confident	135 Å²	135	86.2 Å²	86.2	59%	0.587	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-83.5	-3.2	171.4	-71	-170.3	171.4	-158.3	0	113.8	F105 P106 G107	F105-K109 HydrophobicContact CE1-CB 3.84Å; F105-K109 HydrophobicContact CZ-CB 3.68Å; P106-K109 HydrophobicContact CG-CD 4.09Å; P106-K109 HydrophobicContact CG-CG 4.12Å; P106-K109 PolarHBondContact O-N 2.94Å; P106-K109 VanDerWaalsContact O-N 3.08Å; G107-K109 PolarHBondContact O-N 2.75Å
110	L	89.2	Confident	87.4	Confident	21 Å²	21	83.6 Å²	83.6	11%	0.11	40%	0.403	C	S	.	.			trans	-95.6	99.2	-172.8	-167.1	156.5	0	0	0	110.5	F105 G107 N108 L112 P145 Q243 I244	F105-L110 HydrophobicContact CE1-CB 4.31Å; G107-L110 WeakPolarHBondContact O-CB 3.35Å; G107-L110 PolarHBondContact O-N 2.94Å; G107-L110 VanDerWaalsContact O-N 3.16Å; N108-L110 VanDerWaalsContact C-N 3.31Å; L110-L112 HydrophobicContact CD2-CD2 3.41Å; L110-L112 VanDerWaalsContact CD2-CD2 3.41Å; L110-L112 HydrophobicContact CD2-CG 4.01Å; L110-L112 PolarHBondContact O-N 3.44Å; L110-P145 HydrophobicContact CD2-CB 3.47Å; L110-P145 VanDerWaalsContact CD2-CB 3.47Å; L110-P145 HydrophobicContact CD2-CG 4.17Å; L110-P145 HydrophobicContact CG-CB 3.88Å; L110-Q243 VanDerWaalsContact CD1-C 3.46Å; L110-Q243 HydrophobicContact CD1-CB 3.6Å; L110-Q243 VanDerWaalsContact CD1-O 3.29Å; L110-Q243 WeakPolarHBondContact CD1-O 3.44Å; L110-I244 HydrophobicContact CD1-CG1 3.68Å; L110-I244 HydrophobicContact CG-CG1 4.42Å
111	N	90.7	Very high	87.9	Confident	66 Å²	66	81.6 Å²	81.6	35%	0.353	39%	0.39	S	S	.	.			trans	-79.7	112.1	174.8	-171.3	-2.2	0	0	0	111.1	K113 E115 P145 N148	N111-K113 VanDerWaalsContact C-N 3.33Å; N111-K113 PolarHBondContact ND2-O 3.33Å; N111-K113 PolarHBondContact OD1-N 3.29Å; N111-K113 PolarHBondContact OD1-O 2.96Å; N111-E115 WeakPolarHBondContact ND2-CG 3.45Å; N111-P145 VanDerWaalsContact O-CA 3.32Å; N111-P145 WeakPolarHBondContact O-CA 3.39Å; N111-P145 WeakPolarHBondContact O-CB 3.06Å; N111-N148 PolarHBondContact O-ND2 3.17Å; N111-N148 VanDerWaalsContact O-ND2 3.13Å
112	L	92.6	Very high	88.7	Confident	26 Å²	26	73.3 Å²	73.3	14%	0.136	35%	0.352	C	S	.	.			trans	-72.3	-22	179	-65.2	173.2	0	0	0	113.8	L110 N322 L421 P424	L110-L112 HydrophobicContact CD2-CD2 3.41Å; L110-L112 VanDerWaalsContact CD2-CD2 3.41Å; L110-L112 HydrophobicContact CD2-CG 4.01Å; L110-L112 PolarHBondContact O-N 3.44Å; L112-N322 HydrophobicContact CD2-CB 3.75Å; L112-L421 HydrophobicContact CD2-CD1 4.25Å; L112-P424 HydrophobicContact CD1-CB 4.23Å; L112-P424 HydrophobicContact CD1-CG 4.37Å
113	K	92.7	Very high	89.4	Confident	142 Å²	142	68.5 Å²	68.5	62%	0.617	33%	0.331	S	S	*	.	S	Bend	trans	-99.4	154.1	179.6	-64.3	-178.3	-179.6	179.9	0	109.9	N111 E115 N148	N111-K113 VanDerWaalsContact C-N 3.33Å; N111-K113 PolarHBondContact ND2-O 3.33Å; N111-K113 PolarHBondContact OD1-N 3.29Å; N111-K113 PolarHBondContact OD1-O 2.96Å; K113-E115 PolarHBondContact O-N 3.49Å; K113-N148 PolarHBondContact O-ND2 3.07Å
114	W	93.5	Very high	90.1	Very high	49 Å²	49	63.4 Å²	63.4	19%	0.186	31%	0.306	C	S	.	.			trans	-59.2	128.5	168.9	-69.3	102.9	0	0	0	110.2	R116 Y118 Y142 P144 A147 F178 S390	W114-R116 VanDerWaalsContact C-N 3.29Å; W114-R116 PolarHBondContact O-N 3.43Å; W114-Y118 HydrophobicContact CE3-CD2 4.01Å; W114-Y118 HydrophobicContact CE3-CE2 4.04Å; W114-Y118 HydrophobicContact CZ3-CD2 4.15Å; W114-Y118 HydrophobicContact CZ3-CE2 4.26Å; W114-Y142 HydrophobicContact CH2-CD1 4.43Å; W114-Y142 HydrophobicContact CZ2-CD1 4.16Å; W114-P144 HydrophobicContact CD2-CB 4.03Å; W114-P144 HydrophobicContact CD2-CG 4.31Å; W114-P144 HydrophobicContact CG-CB 4.21Å; W114-P144 HydrophobicContact CG-CG 4.49Å; W114-P144 HydrophobicContact CZ2-CB 4.4Å; W114-P144 HydrophobicContact CZ2-CG 4.07Å; W114-A147 HydrophobicContact CE3-CB 4.46Å; W114-A147 HydrophobicContact CH2-CB 3.63Å; W114-A147 HydrophobicContact CZ3-CB 3.46Å; W114-A147 VanDerWaalsContact CZ3-CB 3.46Å; W114-F178 HydrophobicContact CH2-CE2 4.44Å; W114-F178 AromaticContact CH2-CZ 3.96Å; W114-F178 HydrophobicContact CH2-CZ 3.96Å; W114-F178 HydrophobicContact CZ3-CE2 4.46Å; W114-F178 HydrophobicContact CZ3-CZ 4.23Å; W114-S390 VanDerWaalsContact CD2-CB 3.44Å; W114-S390 VanDerWaalsContact CG-CB 3.43Å
115	E	89.9	Confident	90.8	Very high	101 Å²	101	64.6 Å²	64.6	47%	0.472	31%	0.31	S	S	.	.	S	Bend	trans	-69.6	-27.7	179.3	-75.3	169	-174.7	0	0	113.4	N111 K113 N148	N111-E115 WeakPolarHBondContact ND2-CG 3.45Å; K113-E115 PolarHBondContact O-N 3.49Å; E115-N148 HydrophobicContact CG-CB 4.37Å; E115-N148 PolarHBondContact N-OD1 3.13Å
116	R	91.6	Very high	91.3	Very high	136 Å²	136	66.4 Å²	66.4	51%	0.513	32%	0.321	S	S	.	.	S	Bend	trans	-152.9	157.7	179.1	67.8	-171.6	103.4	151.2	11.7	109.5	W114 Y118	W114-R116 VanDerWaalsContact C-N 3.29Å; W114-R116 PolarHBondContact O-N 3.43Å; R116-Y118 HydrophobicContact CG-CD1 4.45Å; R116-Y118 HydrophobicContact CG-CD2 4.11Å; R116-Y118 HydrophobicContact CG-CE1 3.9Å; R116-Y118 HydrophobicContact CG-CE2 3.52Å; R116-Y118 VanDerWaalsContact CZ-OH 3.25Å; R116-Y118 PolarHBondContact NE-OH 3Å; R116-Y118 VanDerWaalsContact NE-OH 3.09Å; R116-Y118 PolarHBondContact NH2-OH 3.43Å; R116-Y118 WeakPolarHBondContact O-CD2 3.32Å; R116-Y118 PolarHBondContact O-N 3.34Å
117	V	92.5	Very high	91.8	Very high	109 Å²	109	67 Å²	67	66%	0.661	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-81.5	116.9	174.2	-177	0	0	0	0	109.4	N391	V117-N391 HydrophobicContact CG1-CB 3.93Å
118	Y	91.7	Very high	92.3	Very high	32 Å²	32	67.1 Å²	67.1	13%	0.125	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-96	150	168.2	-57.7	-87.4	0	0	0	110.1	W114 R116 L151 F178 S390	W114-Y118 HydrophobicContact CE3-CD2 4.01Å; W114-Y118 HydrophobicContact CE3-CE2 4.04Å; W114-Y118 HydrophobicContact CZ3-CD2 4.15Å; W114-Y118 HydrophobicContact CZ3-CE2 4.26Å; R116-Y118 HydrophobicContact CG-CD1 4.45Å; R116-Y118 HydrophobicContact CG-CD2 4.11Å; R116-Y118 HydrophobicContact CG-CE1 3.9Å; R116-Y118 HydrophobicContact CG-CE2 3.52Å; R116-Y118 VanDerWaalsContact CZ-OH 3.25Å; R116-Y118 PolarHBondContact NE-OH 3Å; R116-Y118 VanDerWaalsContact NE-OH 3.09Å; R116-Y118 PolarHBondContact NH2-OH 3.43Å; R116-Y118 WeakPolarHBondContact O-CD2 3.32Å; R116-Y118 PolarHBondContact O-N 3.34Å; Y118-L151 HydrophobicContact CE1-CD1 4.06Å; Y118-L151 HydrophobicContact CE2-CD1 3.96Å; Y118-L151 WeakPolarHBondContact OH-CD1 3.33Å; Y118-F178 HydrophobicContact CG-CD1 4.33Å; Y118-S390 PolarHBondContact N-OG 3.5Å; Y118-S390 PolarHBondContact O-OG 3.38Å
119	R	93.3	Very high	92.9	Very high	199 Å²	199	63.1 Å²	63.1	75%	0.751	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-64.6	163.2	164	-65.5	-174.2	177.4	-165.9	-1.1	110.1	G121 F178 T181	R119-G121 PolarHBondContact O-N 2.97Å; R119-F178 WeakPolarHBondContact O-CD1 3.47Å; R119-T181 HydrophobicContact CB-CG2 3.56Å; R119-T181 HydrophobicContact CG-CG2 4.33Å
120	V	95.1	Very high	93.4	Very high	27 Å²	27	56.9 Å²	56.9	16%	0.164	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-64.4	121.4	176.3	66.5	0	0	0	0	110	Y142 T181 Y395 M397 V402	V120-Y142 WeakPolarHBondContact CG2-OH 3.41Å; V120-T181 WeakPolarHBondContact O-CA 3.48Å; V120-T181 WeakPolarHBondContact O-CG2 3.5Å; V120-T181 PolarHBondContact O-OG1 2.85Å; V120-Y395 HydrophobicContact CB-CD1 4.28Å; V120-Y395 HydrophobicContact CB-CD2 4.44Å; V120-Y395 HydrophobicContact CB-CE1 4.05Å; V120-Y395 HydrophobicContact CB-CE2 4.22Å; V120-Y395 HydrophobicContact CB-CG 4.47Å; V120-Y395 HydrophobicContact CG1-CD1 4.36Å; V120-Y395 HydrophobicContact CG1-CE1 3.97Å; V120-Y395 HydrophobicContact CG2-CD1 3.82Å; V120-Y395 HydrophobicContact CG2-CD2 3.98Å; V120-Y395 HydrophobicContact CG2-CE1 4.12Å; V120-Y395 HydrophobicContact CG2-CE2 4.26Å; V120-Y395 HydrophobicContact CG2-CG 3.75Å; V120-M397 HydrophobicContact CG2-CE 3.47Å; V120-M397 VanDerWaalsContact CG2-CE 3.47Å; V120-V402 HydrophobicContact CG1-CG1 4.42Å; V120-V402 HydrophobicContact CG2-CG1 3.69Å
121	G	94.6	Very high	93.7	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.01	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-68.8	167.2	-179.9	0	0	0	0	0	113.7	R119 Y142 A177	R119-G121 PolarHBondContact O-N 2.97Å; G121-Y142 PolarHBondContact N-OH 3.07Å; G121-A177 CarbonylContact C-O 3.55Å; G121-A177 WeakPolarHBondContact CA-O 3.35Å
122	A	97.2	Very high	93.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-54.1	150.5	-174.2	0	0	0	0	0	115.1	Q138 A177 N180 N183 I185	A122-Q138 PolarHBondContact O-NE2 3.47Å; A122-A177 PolarHBondContact N-O 3.47Å; A122-N180 HydrophobicContact CB-CB 4.07Å; A122-N180 WeakPolarHBondContact CB-O 3.3Å; A122-N183 CarbonylContact C-O 2.87Å; A122-N183 WeakPolarHBondContact CA-O 3.44Å; A122-N183 WeakPolarHBondContact CB-O 3.44Å; A122-I185 HydrophobicContact CB-CB 4.49Å; A122-I185 HydrophobicContact CB-CD1 4.27Å; A122-I185 HydrophobicContact CB-CG1 3.98Å; A122-I185 HydrophobicContact CB-CG2 3.96Å
123	G	97.6	Very high	94.1	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	164.8	161.1	0	0	0	0	0	111.7	N183 A184 I185 D399	G123-N183 PolarHBondContact N-O 3.46Å; G123-A184 CarbonylContact O-C 3.56Å; G123-A184 VanDerWaalsContact O-CA 3.24Å; G123-A184 WeakPolarHBondContact O-CA 3.43Å; G123-I185 PolarHBondContact O-N 3.03Å; G123-D399 CarbonylContact C-O 3.58Å; G123-D399 WeakPolarHBondContact CA-O 3.28Å
124	L	98	Very high	94.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.3	179.5	-53.1	-175.3	0	0	0	110.5	N126 N134 V137 Q138 I185 D399 S400	L124-N126 PolarHBondContact O-N 3.34Å; L124-N134 HydrophobicContact CB-CB 3.99Å; L124-N134 HydrophobicContact CD1-CB 4.04Å; L124-N134 PolarHBondContact O-ND2 3.47Å; L124-V137 HydrophobicContact CD1-CB 4.3Å; L124-V137 HydrophobicContact CD1-CG1 4.26Å; L124-Q138 HydrophobicContact CD1-CG 3.87Å; L124-Q138 HydrophobicContact CG-CG 4.21Å; L124-I185 WeakPolarHBondContact CA-O 3.29Å; L124-I185 HydrophobicContact CD2-CD1 4.06Å; L124-I185 HydrophobicContact CD2-CG1 3.6Å; L124-D399 PolarHBondContact N-O 3.49Å; L124-D399 CarbonylContact O-C 3.54Å; L124-D399 WeakPolarHBondContact O-CA 3.25Å; L124-D399 WeakPolarHBondContact O-CB 3.3Å; L124-S400 PolarHBondContact O-N 3.05Å
125	H	97	Very high	94.5	Very high	68 Å²	68	43.2 Å²	43.2	32%	0.315	21%	0.212	S	C	.	.			trans	-57.9	131.8	176.4	-75.8	-72.2	0	0	0	111.3	L127 A184 I185 K186	H125-L127 PolarHBondContact O-N 2.95Å; H125-A184 WeakPolarHBondContact NE2-CB 3.39Å; H125-I185 PolarHBondContact N-O 2.77Å; H125-K186 HydrophobicContact CB-CG 4Å
126	N	95.7	Very high	94.9	Very high	60 Å²	60	38.4 Å²	38.4	32%	0.321	19%	0.189	S	C	.	.			trans	-72.4	126.3	168.7	-158	-32.4	0	0	0	109.3	L124 G128 N129 T130 D399	L124-N126 PolarHBondContact O-N 3.34Å; N126-G128 PolarHBondContact OD1-N 2.88Å; N126-G128 VanDerWaalsContact OD1-N 3.16Å; N126-N129 PolarHBondContact OD1-N 2.98Å; N126-T130 WeakPolarHBondContact CA-OG1 3.4Å; N126-T130 PolarHBondContact OD1-N 3.01Å; N126-T130 PolarHBondContact OD1-OG1 2.91Å; N126-D399 HydrophobicContact CB-CB 4.19Å; N126-D399 WeakPolarHBondContact CB-OD2 3.28Å; N126-D399 PolarHBondContact ND2-OD2 3.46Å
127	L	92.9	Very high	95.2	Very high	55 Å²	55	31.9 Å²	31.9	29%	0.288	17%	0.165	S	C	.	.	S	Bend	trans	-109.6	28.7	-178.4	-63.8	169.3	0	0	0	111.5	H125 T130 K186 V188 I191 F203	H125-L127 PolarHBondContact O-N 2.95Å; L127-T130 HydrophobicContact CB-CG2 4.19Å; L127-T130 PolarHBondContact N-OG1 2.81Å; L127-K186 HydrophobicContact CD1-CB 4.18Å; L127-K186 HydrophobicContact CD2-CD 4.28Å; L127-K186 HydrophobicContact CD2-CG 4.32Å; L127-V188 HydrophobicContact CD1-CG2 4.46Å; L127-I191 HydrophobicContact CB-CD1 4.01Å; L127-I191 HydrophobicContact CD1-CD1 3.45Å; L127-I191 VanDerWaalsContact CD1-CD1 3.45Å; L127-I191 HydrophobicContact CG-CD1 4.32Å; L127-F203 HydrophobicContact CB-CE2 4.32Å; L127-F203 VanDerWaalsContact O-CE2 3.29Å; L127-F203 WeakPolarHBondContact O-CE2 3.36Å; L127-F203 WeakPolarHBondContact O-CZ 3.39Å
128	G	89.1	Confident	95.4	Very high	36 Å²	36	26.9 Å²	26.9	37%	0.371	13%	0.134	S	C	.	.	S	Bend	trans	100.2	100	-178	0	0	0	0	0	111.5	N126 T130	N126-G128 PolarHBondContact OD1-N 2.88Å; N126-G128 VanDerWaalsContact OD1-N 3.16Å; G128-T130 WeakPolarHBondContact O-CG2 3.44Å; G128-T130 PolarHBondContact O-N 2.78Å
129	N	91.6	Very high	95.7	Very high	62 Å²	62	25.3 Å²	25.3	33%	0.332	13%	0.128	S	C	.	.	S	Bend	trans	56.3	14	-178.7	-71.7	-42.8	0	0	0	116.1	N126 C131 F132 G204 Q206	N126-N129 PolarHBondContact OD1-N 2.98Å; N129-C131 VanDerWaalsContact C-N 3.26Å; N129-C131 PolarHBondContact O-N 3.04Å; N129-F132 WeakPolarHBondContact O-CD1 3.42Å; N129-F132 WeakPolarHBondContact O-CE1 3.47Å; N129-G204 PolarHBondContact ND2-O 2.83Å; N129-Q206 HydrophobicContact CB-CG 3.75Å; N129-Q206 VanDerWaalsContact CG-CG 3.43Å; N129-Q206 VanDerWaalsContact OD1-CG 3.28Å; N129-Q206 WeakPolarHBondContact OD1-CG 3.43Å; N129-Q206 PolarHBondContact OD1-NE2 3.01Å
130	T	94.9	Very high	96	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.031	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	5.9	-175.7	55.8	0	0	0	0	115.4	N126 L127 G128 F132 L133 N134 I191 F203	N126-T130 WeakPolarHBondContact CA-OG1 3.4Å; N126-T130 PolarHBondContact OD1-N 3.01Å; N126-T130 PolarHBondContact OD1-OG1 2.91Å; L127-T130 HydrophobicContact CB-CG2 4.19Å; L127-T130 PolarHBondContact N-OG1 2.81Å; G128-T130 WeakPolarHBondContact O-CG2 3.44Å; G128-T130 PolarHBondContact O-N 2.78Å; T130-F132 VanDerWaalsContact C-N 3.29Å; T130-F132 PolarHBondContact O-N 2.82Å; T130-L133 WeakPolarHBondContact O-CA 3.41Å; T130-L133 WeakPolarHBondContact O-CB 3.26Å; T130-L133 PolarHBondContact O-N 2.81Å; T130-N134 PolarHBondContact O-N 2.77Å; T130-I191 HydrophobicContact CG2-CD1 4.04Å; T130-I191 HydrophobicContact CG2-CG1 4.45Å; T130-F203 HydrophobicContact CG2-CD2 4.49Å; T130-F203 HydrophobicContact CG2-CE2 4.16Å
131	C	95.6	Very high	96.1	Very high	4 Å²	4	14.6 Å²	14.6	3%	0.027	8%	0.084	C	C	.	.	H	α-helix	trans	-63.1	-30.6	-174.8	56.6	0	0	0	0	113.9	N129 L133 N134 S135 H382 Y383	N129-C131 VanDerWaalsContact C-N 3.26Å; N129-C131 PolarHBondContact O-N 3.04Å; C131-L133 VanDerWaalsContact C-N 3.28Å; C131-L133 PolarHBondContact O-N 2.76Å; C131-N134 PolarHBondContact O-N 2.84Å; C131-S135 WeakPolarHBondContact O-CB 3.43Å; C131-S135 PolarHBondContact O-N 2.83Å; C131-S135 PolarHBondContact O-OG 2.97Å; C131-H382 WeakPolarHBondContact CB-CE1 3.18Å; C131-H382 WeakPolarHBondContact CB-ND1 3.4Å; C131-H382 PolarHBondContact SG-ND1 3.42Å; C131-Y383 WeakPolarHBondContact CB-O 3.5Å
132	F	95.1	Very high	96.2	Very high	5 Å²	5	14.5 Å²	14.5	2%	0.022	8%	0.084	C	C	.	.	H	α-helix	trans	-61.3	-37	172.8	73.5	-91.8	0	0	0	112.1	N129 T130 S135 T136 E207 A209 F212 Y383	N129-F132 WeakPolarHBondContact O-CD1 3.42Å; N129-F132 WeakPolarHBondContact O-CE1 3.47Å; T130-F132 VanDerWaalsContact C-N 3.29Å; T130-F132 PolarHBondContact O-N 2.82Å; F132-S135 PolarHBondContact O-OG 3.17Å; F132-T136 VanDerWaalsContact O-CB 3.29Å; F132-T136 WeakPolarHBondContact O-CB 3.36Å; F132-T136 PolarHBondContact O-N 2.85Å; F132-T136 PolarHBondContact O-OG1 2.85Å; F132-E207 WeakPolarHBondContact CB-O 3.36Å; F132-E207 HydrophobicContact CD1-CB 4.05Å; F132-E207 HydrophobicContact CD2-CB 4.01Å; F132-E207 HydrophobicContact CE1-CB 3.82Å; F132-E207 HydrophobicContact CE1-CG 3.9Å; F132-E207 HydrophobicContact CE2-CB 3.79Å; F132-E207 HydrophobicContact CE2-CG 4.25Å; F132-E207 HydrophobicContact CG-CB 4.15Å; F132-E207 HydrophobicContact CZ-CB 3.7Å; F132-E207 HydrophobicContact CZ-CG 3.73Å; F132-A209 HydrophobicContact CB-CB 4Å; F132-F212 HydrophobicContact CD2-CB 3.71Å; F132-F212 HydrophobicContact CD2-CD1 4.43Å; F132-F212 HydrophobicContact CD2-CD2 4.47Å; F132-F212 AromaticContact CD2-CG 3.95Å; F132-F212 HydrophobicContact CD2-CG 3.95Å; F132-F212 HydrophobicContact CE2-CB 3.86Å; F132-F212 AromaticContact CE2-CD2 3.88Å; F132-F212 HydrophobicContact CE2-CD2 3.88Å; F132-F212 AromaticContact CE2-CG 3.82Å; F132-F212 HydrophobicContact CE2-CG 3.82Å; F132-Y383 HydrophobicContact CB-CD2 3.54Å; F132-Y383 HydrophobicContact CB-CE2 3.76Å; F132-Y383 HydrophobicContact CB-CG 4.2Å
133	L	96	Very high	96.3	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-73.8	-48.2	175.1	176	163.4	0	0	0	109.6	T130 C131 S135 T136 V137 P187 F190 I191 F212	T130-L133 WeakPolarHBondContact O-CA 3.41Å; T130-L133 WeakPolarHBondContact O-CB 3.26Å; T130-L133 PolarHBondContact O-N 2.81Å; C131-L133 VanDerWaalsContact C-N 3.28Å; C131-L133 PolarHBondContact O-N 2.76Å; L133-S135 PolarHBondContact O-N 2.82Å; L133-T136 PolarHBondContact O-N 2.86Å; L133-V137 HydrophobicContact CD2-CG2 4.03Å; L133-V137 HydrophobicContact CG-CG2 4.38Å; L133-V137 WeakPolarHBondContact O-CB 3.47Å; L133-V137 VanDerWaalsContact O-CG2 3.3Å; L133-V137 WeakPolarHBondContact O-CG2 3.33Å; L133-V137 PolarHBondContact O-N 3.09Å; L133-P187 HydrophobicContact CD2-CB 4.16Å; L133-P187 HydrophobicContact CD2-CG 4.08Å; L133-F190 HydrophobicContact CD1-CB 3.89Å; L133-F190 HydrophobicContact CD2-CB 4.28Å; L133-F190 HydrophobicContact CG-CB 4.42Å; L133-I191 HydrophobicContact CD1-CG1 4.24Å; L133-F212 HydrophobicContact CB-CD1 4.32Å; L133-F212 HydrophobicContact CB-CE1 4.05Å; L133-F212 HydrophobicContact CB-CZ 4.19Å; L133-F212 HydrophobicContact CD1-CE2 4.12Å; L133-F212 HydrophobicContact CD1-CZ 3.95Å; L133-F212 HydrophobicContact CG-CE1 3.81Å; L133-F212 HydrophobicContact CG-CE2 4.2Å; L133-F212 HydrophobicContact CG-CZ 3.61Å
134	N	97.2	Very high	96.2	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.016	9%	0.085	C	C	.	.	H	α-helix	trans	-59.7	-51.3	-176.4	-68.8	-15	0	0	0	112.4	L124 T130 C131 T136 V137 Q138 P187 D399	L124-N134 HydrophobicContact CB-CB 3.99Å; L124-N134 HydrophobicContact CD1-CB 4.04Å; L124-N134 PolarHBondContact O-ND2 3.47Å; T130-N134 PolarHBondContact O-N 2.77Å; C131-N134 PolarHBondContact O-N 2.84Å; N134-T136 VanDerWaalsContact C-N 3.32Å; N134-T136 PolarHBondContact O-N 3.19Å; N134-V137 PolarHBondContact O-N 3.03Å; N134-Q138 WeakPolarHBondContact O-CB 3.36Å; N134-Q138 VanDerWaalsContact O-CG 3.31Å; N134-Q138 WeakPolarHBondContact O-CG 3.49Å; N134-Q138 PolarHBondContact O-N 3.16Å; N134-P187 WeakPolarHBondContact OD1-CG 3.1Å; N134-D399 WeakPolarHBondContact CB-OD1 3.18Å; N134-D399 PolarHBondContact ND2-OD1 2.99Å
135	S	97.7	Very high	96.1	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-60.7	-39.8	177.1	57.2	0	0	0	0	112.7	C131 F132 L133 C139 Y383 C385	C131-S135 WeakPolarHBondContact O-CB 3.43Å; C131-S135 PolarHBondContact O-N 2.83Å; C131-S135 PolarHBondContact O-OG 2.97Å; F132-S135 PolarHBondContact O-OG 3.17Å; L133-S135 PolarHBondContact O-N 2.82Å; S135-C139 PolarHBondContact O-N 3.39Å; S135-C139 VanDerWaalsContact O-N 3.12Å; S135-C139 PolarHBondContact O-SG 3.16Å; S135-Y383 WeakPolarHBondContact OG-CB 3.31Å; S135-C385 PolarHBondContact O-SG 2.85Å
136	T	97.8	Very high	96	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.7	-48.2	176.9	-64.6	0	0	0	0	112.3	F132 L133 N134 Q138 C139 L140 A209 F212 L213	F132-T136 VanDerWaalsContact O-CB 3.29Å; F132-T136 WeakPolarHBondContact O-CB 3.36Å; F132-T136 PolarHBondContact O-N 2.85Å; F132-T136 PolarHBondContact O-OG1 2.85Å; L133-T136 PolarHBondContact O-N 2.86Å; N134-T136 VanDerWaalsContact C-N 3.32Å; N134-T136 PolarHBondContact O-N 3.19Å; T136-Q138 VanDerWaalsContact C-N 3.32Å; T136-Q138 PolarHBondContact O-N 2.92Å; T136-C139 PolarHBondContact O-N 3.36Å; T136-L140 HydrophobicContact CG2-CD1 4.27Å; T136-L140 WeakPolarHBondContact O-CG 3.41Å; T136-L140 PolarHBondContact O-N 2.85Å; T136-L140 VanDerWaalsContact O-N 3.1Å; T136-A209 PolarHBondContact OG1-O 3.04Å; T136-F212 HydrophobicContact CG2-CD1 3.66Å; T136-F212 HydrophobicContact CG2-CE1 3.94Å; T136-L213 HydrophobicContact CG2-CB 3.63Å; T136-L213 HydrophobicContact CG2-CD1 3.82Å; T136-L213 HydrophobicContact CG2-CG 4.32Å
137	V	97.8	Very high	96	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.2	-39.4	-179.6	171.9	0	0	0	0	110.2	L124 L133 N134 L140 T141 M170 H173 F190 F212	L124-V137 HydrophobicContact CD1-CB 4.3Å; L124-V137 HydrophobicContact CD1-CG1 4.26Å; L133-V137 HydrophobicContact CD2-CG2 4.03Å; L133-V137 HydrophobicContact CG-CG2 4.38Å; L133-V137 WeakPolarHBondContact O-CB 3.47Å; L133-V137 VanDerWaalsContact O-CG2 3.3Å; L133-V137 WeakPolarHBondContact O-CG2 3.33Å; L133-V137 PolarHBondContact O-N 3.09Å; N134-V137 PolarHBondContact O-N 3.03Å; V137-L140 PolarHBondContact O-N 2.58Å; V137-T141 WeakPolarHBondContact O-CB 3.34Å; V137-T141 PolarHBondContact O-N 2.79Å; V137-T141 PolarHBondContact O-OG1 3.22Å; V137-T141 VanDerWaalsContact O-OG1 3.08Å; V137-M170 HydrophobicContact CG1-CE 4.28Å; V137-H173 WeakPolarHBondContact CG1-CD2 3.32Å; V137-H173 WeakPolarHBondContact CG1-NE2 3.2Å; V137-F190 HydrophobicContact CG1-CE1 4.44Å; V137-F190 HydrophobicContact CG1-CE2 3.98Å; V137-F190 HydrophobicContact CG1-CZ 3.75Å; V137-F190 HydrophobicContact CG2-CD1 4.03Å; V137-F190 HydrophobicContact CG2-CE1 3.72Å; V137-F190 HydrophobicContact CG2-CE2 4.25Å; V137-F190 HydrophobicContact CG2-CG 4.44Å; V137-F190 HydrophobicContact CG2-CZ 3.84Å; V137-F212 HydrophobicContact CG2-CE1 4.12Å
138	Q	98.1	Very high	96.2	Very high	3 Å²	3	6.5 Å²	6.5	1%	0.014	4%	0.044	C	C	.	.	H	α-helix	trans	-60.9	-48.1	173.4	-71.7	-73.4	21.5	0	0	112.4	A122 L124 N134 T136 L140 T141 Y142 C385 M397	A122-Q138 PolarHBondContact O-NE2 3.47Å; L124-Q138 HydrophobicContact CD1-CG 3.87Å; L124-Q138 HydrophobicContact CG-CG 4.21Å; N134-Q138 WeakPolarHBondContact O-CB 3.36Å; N134-Q138 VanDerWaalsContact O-CG 3.31Å; N134-Q138 WeakPolarHBondContact O-CG 3.49Å; N134-Q138 PolarHBondContact O-N 3.16Å; T136-Q138 VanDerWaalsContact C-N 3.32Å; T136-Q138 PolarHBondContact O-N 2.92Å; Q138-L140 PolarHBondContact O-N 3.34Å; Q138-T141 PolarHBondContact O-N 3.08Å; Q138-T141 VanDerWaalsContact O-N 3.11Å; Q138-Y142 WeakPolarHBondContact O-CD2 3.27Å; Q138-Y142 PolarHBondContact O-N 2.93Å; Q138-C385 VanDerWaalsContact CB-SG 3.6Å; Q138-M397 HydrophobicContact CB-CB 4.27Å; Q138-M397 HydrophobicContact CB-CG 4.34Å; Q138-M397 HydrophobicContact CG-CB 4.04Å; Q138-M397 HydrophobicContact CG-CG 4.24Å
139	C	98.3	Very high	96.4	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-56	-38.1	175.3	-70.4	0	0	0	0	112.8	S135 T136 T143 A369 C385 F419	S135-C139 PolarHBondContact O-N 3.39Å; S135-C139 VanDerWaalsContact O-N 3.12Å; S135-C139 PolarHBondContact O-SG 3.16Å; T136-C139 PolarHBondContact O-N 3.36Å; C139-T143 PolarHBondContact O-N 3.49Å; C139-T143 PolarHBondContact O-OG1 3.11Å; C139-A369 HydrophobicContact CB-CB 4.23Å; C139-C385 VanDerWaalsContact SG-CB 3.56Å; C139-F419 HydrophobicContact CB-CD2 4.04Å; C139-F419 HydrophobicContact CB-CE1 4.34Å; C139-F419 HydrophobicContact CB-CE2 3.55Å; C139-F419 HydrophobicContact CB-CZ 3.71Å
140	L	98	Very high	96.6	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-72.2	-40.5	175.2	-67.9	172.8	0	0	0	112.5	T136 V137 Q138 Y142 T143 L146 M170 L213 T216 I217 M220 F245	T136-L140 HydrophobicContact CG2-CD1 4.27Å; T136-L140 WeakPolarHBondContact O-CG 3.41Å; T136-L140 PolarHBondContact O-N 2.85Å; T136-L140 VanDerWaalsContact O-N 3.1Å; V137-L140 PolarHBondContact O-N 2.58Å; Q138-L140 PolarHBondContact O-N 3.34Å; L140-Y142 VanDerWaalsContact C-N 3.27Å; L140-Y142 PolarHBondContact O-N 3.47Å; L140-T143 VanDerWaalsContact O-CB 3.27Å; L140-T143 WeakPolarHBondContact O-CB 3.29Å; L140-T143 PolarHBondContact O-N 2.94Å; L140-T143 VanDerWaalsContact O-N 3.08Å; L140-T143 PolarHBondContact O-OG1 3.36Å; L140-L146 HydrophobicContact CB-CD2 4.33Å; L140-L146 HydrophobicContact CD2-CD2 4.32Å; L140-M170 HydrophobicContact CB-CE 3.54Å; L140-M170 HydrophobicContact CB-SD 4.43Å; L140-L213 HydrophobicContact CD1-CD1 4.11Å; L140-L213 HydrophobicContact CD2-CD1 3.93Å; L140-L213 HydrophobicContact CG-CD1 4.07Å; L140-T216 HydrophobicContact CD1-CG2 3.5Å; L140-I217 HydrophobicContact CD2-CD1 4.45Å; L140-I217 HydrophobicContact CD2-CG1 4.45Å; L140-M220 HydrophobicContact CD1-CE 4.48Å; L140-F245 HydrophobicContact CD2-CE1 4.27Å; L140-F245 HydrophobicContact CD2-CE2 4.47Å; L140-F245 HydrophobicContact CD2-CZ 3.69Å
141	T	97.6	Very high	96.6	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-60.2	-34.7	176.6	-70.6	0	0	0	0	112.4	V137 Q138 M170 H173 I174 A177 F178	V137-T141 WeakPolarHBondContact O-CB 3.34Å; V137-T141 PolarHBondContact O-N 2.79Å; V137-T141 PolarHBondContact O-OG1 3.22Å; V137-T141 VanDerWaalsContact O-OG1 3.08Å; Q138-T141 PolarHBondContact O-N 3.08Å; Q138-T141 VanDerWaalsContact O-N 3.11Å; T141-M170 VanDerWaalsContact OG1-CE 3.32Å; T141-M170 WeakPolarHBondContact OG1-CE 3.14Å; T141-H173 PolarHBondContact OG1-CD2 2.93Å; T141-H173 VanDerWaalsContact OG1-CD2 3.27Å; T141-H173 PolarHBondContact OG1-NE2 3.37Å; T141-I174 HydrophobicContact CG2-CG1 4.14Å; T141-A177 HydrophobicContact CG2-CB 4.25Å; T141-F178 HydrophobicContact CG2-CE2 4.03Å; T141-F178 HydrophobicContact CG2-CZ 4.26Å
142	Y	97.6	Very high	96.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	10.3	176.2	-73.6	-84.7	0	0	0	114.5	W114 V120 G121 Q138 L140 P144 F178 Y368 V387 A389 M397	W114-Y142 HydrophobicContact CH2-CD1 4.43Å; W114-Y142 HydrophobicContact CZ2-CD1 4.16Å; V120-Y142 WeakPolarHBondContact CG2-OH 3.41Å; G121-Y142 PolarHBondContact N-OH 3.07Å; Q138-Y142 WeakPolarHBondContact O-CD2 3.27Å; Q138-Y142 PolarHBondContact O-N 2.93Å; L140-Y142 VanDerWaalsContact C-N 3.27Å; L140-Y142 PolarHBondContact O-N 3.47Å; Y142-P144 VanDerWaalsContact O-CD 3.22Å; Y142-P144 WeakPolarHBondContact O-CD 3.29Å; Y142-F178 HydrophobicContact CD1-CZ 4.43Å; Y142-F178 HydrophobicContact CE1-CE1 4.01Å; Y142-F178 HydrophobicContact CE1-CZ 4.06Å; Y142-Y368 WeakPolarHBondContact O-CD2 3.35Å; Y142-Y368 WeakPolarHBondContact O-CE2 3.37Å; Y142-V387 HydrophobicContact CD1-CB 4.45Å; Y142-V387 HydrophobicContact CD1-CG2 4.23Å; Y142-V387 HydrophobicContact CD2-CB 3.93Å; Y142-V387 HydrophobicContact CD2-CG1 4.01Å; Y142-V387 HydrophobicContact CD2-CG2 3.62Å; Y142-V387 HydrophobicContact CE1-CG2 4.39Å; Y142-V387 HydrophobicContact CE2-CG2 3.81Å; Y142-V387 HydrophobicContact CG-CB 3.83Å; Y142-V387 HydrophobicContact CG-CG1 4.23Å; Y142-V387 HydrophobicContact CG-CG2 3.84Å; Y142-A389 HydrophobicContact CD1-CB 4.25Å; Y142-A389 HydrophobicContact CE1-CB 3.78Å; Y142-M397 HydrophobicContact CE2-CE 3.66Å; Y142-M397 WeakPolarHBondContact OH-CE 3.33Å
143	T	97.8	Very high	96.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.			trans	-79.8	106.3	172.8	-62.7	0	0	0	0	110	C139 L140 P145 L146 A147 I244 F245 V323 Y368	C139-T143 PolarHBondContact O-N 3.49Å; C139-T143 PolarHBondContact O-OG1 3.11Å; L140-T143 VanDerWaalsContact O-CB 3.27Å; L140-T143 WeakPolarHBondContact O-CB 3.29Å; L140-T143 PolarHBondContact O-N 2.94Å; L140-T143 VanDerWaalsContact O-N 3.08Å; L140-T143 PolarHBondContact O-OG1 3.36Å; T143-P145 HydrophobicContact CG2-CG 4.37Å; T143-L146 HydrophobicContact CG2-CB 3.96Å; T143-L146 WeakPolarHBondContact O-CB 3.39Å; T143-L146 PolarHBondContact O-N 3.29Å; T143-A147 PolarHBondContact O-N 2.98Å; T143-I244 HydrophobicContact CG2-CG2 4.25Å; T143-F245 HydrophobicContact CG2-CE1 4.31Å; T143-F245 HydrophobicContact CG2-CZ 4.02Å; T143-V323 HydrophobicContact CG2-CG2 3.86Å; T143-Y368 WeakPolarHBondContact CG2-OH 3.49Å; T143-Y368 PolarHBondContact OG1-OH 3.45Å
144	P	95.8	Very high	96	Very high	4 Å²	4	14.7 Å²	14.7	3%	0.026	7%	0.072	C	C	.	.	H	α-helix	trans	-59.5	-47.2	-163.6	-24.2	35.7	0	0	0	115.8	W114 Y142 L146 A147 N148 L421	W114-P144 HydrophobicContact CD2-CB 4.03Å; W114-P144 HydrophobicContact CD2-CG 4.31Å; W114-P144 HydrophobicContact CG-CB 4.21Å; W114-P144 HydrophobicContact CG-CG 4.49Å; W114-P144 HydrophobicContact CZ2-CB 4.4Å; W114-P144 HydrophobicContact CZ2-CG 4.07Å; Y142-P144 VanDerWaalsContact O-CD 3.22Å; Y142-P144 WeakPolarHBondContact O-CD 3.29Å; P144-L146 PolarHBondContact O-N 3.35Å; P144-A147 PolarHBondContact O-N 2.73Å; P144-N148 WeakPolarHBondContact O-CB 3.36Å; P144-N148 PolarHBondContact O-N 2.76Å; P144-N148 PolarHBondContact O-ND2 2.96Å; P144-L421 HydrophobicContact CG-CD2 3.84Å
145	P	95.9	Very high	95.6	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.026	8%	0.075	C	C	.	.	H	α-helix	trans	-68	-23.4	178.9	27	-35.5	0	0	0	113.7	L110 N111 T143 I244 V323 L421	L110-P145 HydrophobicContact CD2-CB 3.47Å; L110-P145 VanDerWaalsContact CD2-CB 3.47Å; L110-P145 HydrophobicContact CD2-CG 4.17Å; L110-P145 HydrophobicContact CG-CB 3.88Å; N111-P145 VanDerWaalsContact O-CA 3.32Å; N111-P145 WeakPolarHBondContact O-CA 3.39Å; N111-P145 WeakPolarHBondContact O-CB 3.06Å; T143-P145 HydrophobicContact CG2-CG 4.37Å; P145-I244 HydrophobicContact CB-CD1 4.48Å; P145-I244 HydrophobicContact CB-CG1 4.25Å; P145-I244 HydrophobicContact CG-CG1 4.29Å; P145-I244 HydrophobicContact CG-CG2 4.11Å; P145-V323 HydrophobicContact CG-CG2 4.15Å; P145-L421 HydrophobicContact CG-CD1 4.47Å
146	L	96.3	Very high	95.2	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-76.9	-45.7	172.6	-176.2	59.4	0	0	0	110.4	L140 T143 P144 Y149 L150 M220 I244 F245	L140-L146 HydrophobicContact CB-CD2 4.33Å; L140-L146 HydrophobicContact CD2-CD2 4.32Å; T143-L146 HydrophobicContact CG2-CB 3.96Å; T143-L146 WeakPolarHBondContact O-CB 3.39Å; T143-L146 PolarHBondContact O-N 3.29Å; P144-L146 PolarHBondContact O-N 3.35Å; L146-Y149 PolarHBondContact O-N 2.76Å; L146-L150 HydrophobicContact CD1-CD1 3.76Å; L146-L150 HydrophobicContact CD1-CG 4.21Å; L146-L150 HydrophobicContact CG-CD1 3.9Å; L146-L150 WeakPolarHBondContact O-CB 3.26Å; L146-L150 VanDerWaalsContact O-CG 3.27Å; L146-L150 WeakPolarHBondContact O-CG 3.03Å; L146-L150 PolarHBondContact O-N 2.86Å; L146-M220 HydrophobicContact CD2-CE 4.41Å; L146-I244 HydrophobicContact CB-CD1 4.01Å; L146-I244 HydrophobicContact CD1-CD1 4.14Å; L146-F245 HydrophobicContact CD2-CE2 4.39Å; L146-F245 HydrophobicContact CD2-CZ 4.35Å
147	A	96.1	Very high	94.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-46.6	-179.8	0	0	0	0	0	112.4	W114 T143 P144 Y149 L150 L151	W114-A147 HydrophobicContact CE3-CB 4.46Å; W114-A147 HydrophobicContact CH2-CB 3.63Å; W114-A147 HydrophobicContact CZ3-CB 3.46Å; W114-A147 VanDerWaalsContact CZ3-CB 3.46Å; T143-A147 PolarHBondContact O-N 2.98Å; P144-A147 PolarHBondContact O-N 2.73Å; A147-Y149 PolarHBondContact O-N 2.76Å; A147-L150 PolarHBondContact O-N 3.47Å; A147-L151 HydrophobicContact CB-CD1 4.45Å; A147-L151 VanDerWaalsContact O-CB 3.27Å; A147-L151 WeakPolarHBondContact O-CB 3.33Å; A147-L151 WeakPolarHBondContact O-CD1 3.36Å; A147-L151 VanDerWaalsContact O-CG 3.24Å; A147-L151 WeakPolarHBondContact O-CG 3.29Å; A147-L151 PolarHBondContact O-N 3.32Å
148	N	95.4	Very high	94.3	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-53.6	-54.3	175.4	-70.7	-26.9	0	0	0	111.3	N111 K113 E115 P144 L150 L151 S152	N111-N148 PolarHBondContact O-ND2 3.17Å; N111-N148 VanDerWaalsContact O-ND2 3.13Å; K113-N148 PolarHBondContact O-ND2 3.07Å; E115-N148 HydrophobicContact CG-CB 4.37Å; E115-N148 PolarHBondContact N-OD1 3.13Å; P144-N148 WeakPolarHBondContact O-CB 3.36Å; P144-N148 PolarHBondContact O-N 2.76Å; P144-N148 PolarHBondContact O-ND2 2.96Å; N148-L150 VanDerWaalsContact C-N 3.32Å; N148-L150 PolarHBondContact O-N 3.5Å; N148-L151 PolarHBondContact O-N 3.08Å; N148-S152 PolarHBondContact O-N 3.41Å
149	Y	94.8	Very high	93.9	Very high	39 Å²	39	31.9 Å²	31.9	15%	0.153	16%	0.164	C	C	.	.	H	α-helix	trans	-62.6	-35	-178.9	175.7	-98.3	0	0	0	113.4	F105 L146 A147 S152 E154 H155 L240	F105-Y149 HydrophobicContact CE2-CD2 4.08Å; F105-Y149 AromaticContact CE2-CE2 3.82Å; F105-Y149 HydrophobicContact CE2-CE2 3.82Å; F105-Y149 HydrophobicContact CZ-CD2 4.3Å; F105-Y149 HydrophobicContact CZ-CE2 4.49Å; L146-Y149 PolarHBondContact O-N 2.76Å; A147-Y149 PolarHBondContact O-N 2.76Å; Y149-S152 PolarHBondContact O-OG 3.34Å; Y149-E154 HydrophobicContact CD2-CB 4.46Å; Y149-E154 HydrophobicContact CE2-CB 3.82Å; Y149-H155 HydrophobicContact CE1-CB 3.79Å; Y149-L240 HydrophobicContact CD1-CD1 4.1Å; Y149-L240 HydrophobicContact CD1-CD2 3.31Å; Y149-L240 HydrophobicContact CD1-CG 4.35Å; Y149-L240 HydrophobicContact CD2-CD1 4.26Å; Y149-L240 HydrophobicContact CE1-CD2 3.38Å; Y149-L240 HydrophobicContact CG-CD1 3.95Å; Y149-L240 HydrophobicContact CG-CD2 4.04Å
150	L	95.1	Very high	93.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-78.2	-32.7	177.8	-67.2	179.2	0	0	0	112.3	L146 A147 N148 K153 I167 M170 Q171 I174	L146-L150 HydrophobicContact CD1-CD1 3.76Å; L146-L150 HydrophobicContact CD1-CG 4.21Å; L146-L150 HydrophobicContact CG-CD1 3.9Å; L146-L150 WeakPolarHBondContact O-CB 3.26Å; L146-L150 VanDerWaalsContact O-CG 3.27Å; L146-L150 WeakPolarHBondContact O-CG 3.03Å; L146-L150 PolarHBondContact O-N 2.86Å; A147-L150 PolarHBondContact O-N 3.47Å; N148-L150 VanDerWaalsContact C-N 3.32Å; N148-L150 PolarHBondContact O-N 3.5Å; L150-K153 PolarHBondContact O-N 2.69Å; L150-I167 HydrophobicContact CD2-CG2 3.52Å; L150-M170 HydrophobicContact CD1-CB 3.96Å; L150-M170 HydrophobicContact CD1-CG 3.62Å; L150-Q171 HydrophobicContact CB-CB 4.41Å; L150-Q171 HydrophobicContact CB-CG 3.94Å; L150-Q171 HydrophobicContact CD2-CB 3.95Å; L150-Q171 HydrophobicContact CD2-CG 3.96Å; L150-Q171 WeakPolarHBondContact O-CG 3.4Å; L150-I174 HydrophobicContact CB-CD1 4.26Å; L150-I174 HydrophobicContact CD1-CD1 3.63Å
151	L	94.3	Very high	92.5	Very high	28 Å²	28	42.8 Å²	42.8	15%	0.147	22%	0.215	C	C	.	.	H	α-helix	trans	-76.5	-21.1	176.5	-70.9	164.3	0	0	0	113.2	Y118 A147 N148 K153 I174 I175 F178	Y118-L151 HydrophobicContact CE1-CD1 4.06Å; Y118-L151 HydrophobicContact CE2-CD1 3.96Å; Y118-L151 WeakPolarHBondContact OH-CD1 3.33Å; A147-L151 HydrophobicContact CB-CD1 4.45Å; A147-L151 VanDerWaalsContact O-CB 3.27Å; A147-L151 WeakPolarHBondContact O-CB 3.33Å; A147-L151 WeakPolarHBondContact O-CD1 3.36Å; A147-L151 VanDerWaalsContact O-CG 3.24Å; A147-L151 WeakPolarHBondContact O-CG 3.29Å; A147-L151 PolarHBondContact O-N 3.32Å; N148-L151 PolarHBondContact O-N 3.08Å; L151-K153 PolarHBondContact O-N 3.44Å; L151-I174 HydrophobicContact CD1-CG2 3.92Å; L151-I174 HydrophobicContact CD2-CG2 3.91Å; L151-I174 HydrophobicContact CG-CG2 3.77Å; L151-I175 HydrophobicContact CD2-CG1 4.1Å; L151-F178 HydrophobicContact CD1-CD2 4Å; L151-F178 HydrophobicContact CD1-CE2 4.17Å
152	S	92.8	Very high	91.5	Very high	36 Å²	36	48.4 Å²	48.4	25%	0.252	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-16.9	168.4	81.6	0	0	0	0	113.4	N148 Y149 E154	N148-S152 PolarHBondContact O-N 3.41Å; Y149-S152 PolarHBondContact O-OG 3.34Å; S152-E154 PolarHBondContact O-N 3.03Å; S152-E154 WeakPolarHBondContact OG-CG 3.48Å; S152-E154 PolarHBondContact OG-N 2.99Å
153	K	92.1	Very high	91	Very high	95 Å²	95	52.3 Å²	52.3	41%	0.413	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	12.5	-176	-53.1	-175.9	-175.9	-178	0	114.9	L150 L151 H155 S156 R157 I175	L150-K153 PolarHBondContact O-N 2.69Å; L151-K153 PolarHBondContact O-N 3.44Å; K153-H155 VanDerWaalsContact C-N 3.26Å; K153-H155 PolarHBondContact O-N 3Å; K153-S156 PolarHBondContact O-N 3.39Å; K153-S156 PolarHBondContact O-OG 2.93Å; K153-R157 PolarHBondContact O-N 3.02Å; K153-I175 HydrophobicContact CD-CD1 4.35Å; K153-I175 HydrophobicContact CG-CD1 4.22Å
154	E	89	Confident	90.7	Very high	87 Å²	87	54.3 Å²	54.3	41%	0.407	30%	0.303	S	S	.	.	H	α-helix	trans	-50.9	-45.1	178.5	-87.3	-175.3	-154.1	0	0	112.3	Y149 S152 R157 A158	Y149-E154 HydrophobicContact CD2-CB 4.46Å; Y149-E154 HydrophobicContact CE2-CB 3.82Å; S152-E154 PolarHBondContact O-N 3.03Å; S152-E154 WeakPolarHBondContact OG-CG 3.48Å; S152-E154 PolarHBondContact OG-N 2.99Å; E154-R157 PolarHBondContact O-N 2.96Å; E154-A158 PolarHBondContact O-N 3.48Å
155	H	90.1	Very high	90.6	Very high	19 Å²	19	54.4 Å²	54.4	9%	0.088	30%	0.304	C	S	.	.	H	α-helix	trans	-60.3	-52.7	-179.3	-174.8	67.9	0	0	0	112	Y149 K153 R157 A158 C159 C165 I167 C168	Y149-H155 HydrophobicContact CE1-CB 3.79Å; K153-H155 VanDerWaalsContact C-N 3.26Å; K153-H155 PolarHBondContact O-N 3Å; H155-R157 PolarHBondContact O-N 3.47Å; H155-R157 VanDerWaalsContact O-N 3.12Å; H155-A158 CarbonylContact O-C 3.55Å; H155-A158 PolarHBondContact O-N 2.84Å; H155-C159 PolarHBondContact NE2-SG 3.28Å; H155-C159 WeakPolarHBondContact O-CB 3.3Å; H155-C159 PolarHBondContact O-N 3.01Å; H155-C165 PolarHBondContact NE2-SG 3.26Å; H155-I167 HydrophobicContact CB-CG2 3.97Å; H155-I167 WeakPolarHBondContact CD2-CG2 3.46Å; H155-I167 VanDerWaalsContact CG-CG2 3.44Å; H155-C168 VanDerWaalsContact CD2-SG 3.53Å
156	S	89.4	Confident	90.5	Very high	54 Å²	54	54.3 Å²	54.3	38%	0.378	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-24.8	-179.1	58.3	0	0	0	0	114.6	K153 Q171	K153-S156 PolarHBondContact O-N 3.39Å; K153-S156 PolarHBondContact O-OG 2.93Å; S156-Q171 VanDerWaalsContact CB-NE2 3.27Å; S156-Q171 PolarHBondContact OG-NE2 3.2Å; S156-Q171 PolarHBondContact OG-OE1 3.48Å
157	R	88.3	Confident	90.5	Very high	196 Å²	196	54.3 Å²	54.3	74%	0.74	30%	0.303	S	S	*	.	H	α-helix	trans	-77.8	-24.6	175	-68	170.8	171.5	159.5	-5.3	113.4	K153 E154 H155	K153-R157 PolarHBondContact O-N 3.02Å; E154-R157 PolarHBondContact O-N 2.96Å; H155-R157 PolarHBondContact O-N 3.47Å; H155-R157 VanDerWaalsContact O-N 3.12Å
158	A	86.9	Confident	90.4	Very high	67 Å²	67	55.7 Å²	55.7	55%	0.554	31%	0.313	S	S	*	.	H	α-helix	trans	-110.2	-2.1	-178.3	0	0	0	0	0	113.7	E154 H155 H160	E154-A158 PolarHBondContact O-N 3.48Å; H155-A158 CarbonylContact O-C 3.55Å; H155-A158 PolarHBondContact O-N 2.84Å; A158-H160 PolarHBondContact O-N 3.35Å; A158-H160 PolarHBondContact O-ND1 3.5Å
159	C	89.8	Confident	90.4	Very high	34 Å²	34	56.3 Å²	56.3	23%	0.23	32%	0.316	C	S	.	.			trans	-85.2	100.6	-174	-171.2	0	0	0	0	111.8	H155 Q161 C168	H155-C159 PolarHBondContact NE2-SG 3.28Å; H155-C159 WeakPolarHBondContact O-CB 3.3Å; H155-C159 PolarHBondContact O-N 3.01Å; C159-Q161 VanDerWaalsContact C-N 3.27Å; C159-Q161 PolarHBondContact O-N 3.29Å; C159-C168 VanDerWaalsContact SG-SG 3.64Å
160	H	84.4	Confident	90.5	Very high	177 Å²	177	54.5 Å²	54.5	82%	0.819	31%	0.309	S	S	*	.			trans	-91.3	20.3	175.7	-59.1	77	0	0	0	112.3	A158 S162	A158-H160 PolarHBondContact O-N 3.35Å; A158-H160 PolarHBondContact O-ND1 3.5Å; H160-S162 PolarHBondContact O-N 2.89Å
161	Q	82.4	Confident	90.6	Very high	52 Å²	52	54.6 Å²	54.6	24%	0.243	31%	0.31	C	S	.	.			trans	-85	104.4	-176.3	-173.4	161.9	33.3	0	0	111.1	C159 C165 N226	C159-Q161 VanDerWaalsContact C-N 3.27Å; C159-Q161 PolarHBondContact O-N 3.29Å; Q161-C165 HydrophobicContact CB-CB 4.23Å; Q161-C165 HydrophobicContact CG-CB 4.31Å; Q161-C165 VanDerWaalsContact OE1-CB 3.3Å; Q161-N226 WeakPolarHBondContact CB-ND2 3.27Å
162	S	77.7	Confident	90.7	Very high	118 Å²	118	57.4 Å²	57.4	83%	0.825	33%	0.325	S	S	*	.			trans	-63.5	138.5	170.3	49.8	0	0	0	0	111.4	H160	H160-S162 PolarHBondContact O-N 2.89Å
163	G	86.3	Confident	90.8	Very high	82 Å²	82	56 Å²	56	85%	0.845	31%	0.314	S	S	*	.	S	Bend	trans	81.4	-116.2	-179.5	0	0	0	0	0	113.9
164	F	91.1	Very high	91	Very high	42 Å²	42	51.4 Å²	51.4	18%	0.184	29%	0.294	C	S	.	.			trans	-100.2	114	-169.8	172.9	-105.5	0	0	0	112.5	M166 V169 D193 K196 I197	F164-M166 HydrophobicContact CE1-CB 4.3Å; F164-M166 HydrophobicContact CE2-SD 4.15Å; F164-M166 HydrophobicContact CZ-CB 3.94Å; F164-M166 HydrophobicContact CZ-CG 4.39Å; F164-M166 HydrophobicContact CZ-SD 3.71Å; F164-V169 HydrophobicContact CD2-CG2 4.47Å; F164-V169 HydrophobicContact CE2-CG2 4.16Å; F164-D193 HydrophobicContact CD2-CB 3.69Å; F164-D193 HydrophobicContact CE2-CB 3.56Å; F164-K196 HydrophobicContact CB-CD 3.69Å; F164-K196 HydrophobicContact CD1-CB 3.87Å; F164-K196 HydrophobicContact CD1-CD 4.26Å; F164-K196 HydrophobicContact CD2-CB 4.48Å; F164-K196 HydrophobicContact CD2-CD 4.09Å; F164-K196 HydrophobicContact CE1-CB 3.94Å; F164-K196 HydrophobicContact CG-CB 4.15Å; F164-K196 HydrophobicContact CG-CD 3.75Å; F164-K196 HydrophobicContact CZ-CB 4.29Å; F164-I197 HydrophobicContact CZ-CG1 3.85Å
165	C	93.8	Very high	91.4	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.047	29%	0.286	C	S	.	.			trans	-118.8	117.1	165.3	177.2	0	0	0	0	110.3	H155 Q161 I167 C168 V169 A223	H155-C165 PolarHBondContact NE2-SG 3.26Å; Q161-C165 HydrophobicContact CB-CB 4.23Å; Q161-C165 HydrophobicContact CG-CB 4.31Å; Q161-C165 VanDerWaalsContact OE1-CB 3.3Å; C165-I167 VanDerWaalsContact C-N 3.27Å; C165-I167 PolarHBondContact O-N 3.49Å; C165-C168 HydrophobicContact CB-CB 4.05Å; C165-C168 PolarHBondContact O-N 2.84Å; C165-V169 PolarHBondContact O-N 2.6Å; C165-V169 VanDerWaalsContact O-N 3.13Å; C165-A223 VanDerWaalsContact SG-CB 3.59Å
166	M	95	Very high	91.6	Very high	1 Å²	1	53 Å²	53	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-31.6	-179.6	-169.6	60.2	177	0	0	112.8	F164 V169 M170 F190 I197 T216 A219 M220	F164-M166 HydrophobicContact CE1-CB 4.3Å; F164-M166 HydrophobicContact CE2-SD 4.15Å; F164-M166 HydrophobicContact CZ-CB 3.94Å; F164-M166 HydrophobicContact CZ-CG 4.39Å; F164-M166 HydrophobicContact CZ-SD 3.71Å; M166-V169 PolarHBondContact O-N 3.32Å; M166-V169 HydrophobicContact SD-CB 4.43Å; M166-M170 PolarHBondContact O-N 3.21Å; M166-F190 HydrophobicContact CE-CD1 3.77Å; M166-F190 HydrophobicContact CE-CE1 3.69Å; M166-I197 HydrophobicContact CE-CD1 3.55Å; M166-I197 HydrophobicContact CE-CG1 4Å; M166-I197 HydrophobicContact SD-CD1 3.81Å; M166-I197 HydrophobicContact SD-CG1 3.81Å; M166-T216 HydrophobicContact CE-CG2 3.55Å; M166-A219 HydrophobicContact CB-CB 3.89Å; M166-A219 HydrophobicContact CG-CB 3.86Å; M166-M220 HydrophobicContact CB-CG 4.13Å; M166-M220 HydrophobicContact CG-CG 3.73Å
167	I	95.3	Very high	92	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-68.4	-40.8	177.8	-55.2	171.1	0	0	0	109.8	L150 H155 C165 V169 M170 Q171 M220 A223 C224	L150-I167 HydrophobicContact CD2-CG2 3.52Å; H155-I167 HydrophobicContact CB-CG2 3.97Å; H155-I167 WeakPolarHBondContact CD2-CG2 3.46Å; H155-I167 VanDerWaalsContact CG-CG2 3.44Å; C165-I167 VanDerWaalsContact C-N 3.27Å; C165-I167 PolarHBondContact O-N 3.49Å; I167-V169 PolarHBondContact O-N 3.26Å; I167-M170 PolarHBondContact O-N 3.1Å; I167-Q171 WeakPolarHBondContact O-CB 3.39Å; I167-Q171 PolarHBondContact O-N 3.12Å; I167-M220 HydrophobicContact CG1-CB 3.98Å; I167-M220 HydrophobicContact CG1-CG 4.07Å; I167-A223 HydrophobicContact CD1-CB 3.64Å; I167-A223 HydrophobicContact CG1-CB 3.78Å; I167-C224 VanDerWaalsContact CD1-SG 3.52Å
168	C	95	Very high	92.3	Very high	30 Å²	30	42 Å²	42	20%	0.203	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-39.3	173.1	-65.7	0	0	0	0	112.6	H155 C159 C165 Q171 N172	H155-C168 VanDerWaalsContact CD2-SG 3.53Å; C159-C168 VanDerWaalsContact SG-SG 3.64Å; C165-C168 HydrophobicContact CB-CB 4.05Å; C165-C168 PolarHBondContact O-N 2.84Å; C168-Q171 PolarHBondContact O-N 3.48Å; C168-N172 WeakPolarHBondContact O-CB 3.22Å; C168-N172 PolarHBondContact O-N 3.37Å
169	V	95.8	Very high	92.7	Very high	17 Å²	17	42.5 Å²	42.5	10%	0.103	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-47.8	174.4	173.2	0	0	0	0	110.7	F164 C165 M166 I167 Q171 H173 F190	F164-V169 HydrophobicContact CD2-CG2 4.47Å; F164-V169 HydrophobicContact CE2-CG2 4.16Å; C165-V169 PolarHBondContact O-N 2.6Å; C165-V169 VanDerWaalsContact O-N 3.13Å; M166-V169 PolarHBondContact O-N 3.32Å; M166-V169 HydrophobicContact SD-CB 4.43Å; I167-V169 PolarHBondContact O-N 3.26Å; V169-Q171 PolarHBondContact O-N 3.48Å; V169-H173 WeakPolarHBondContact O-CB 3.39Å; V169-H173 PolarHBondContact O-N 3.13Å; V169-F190 HydrophobicContact CG1-CD1 4.09Å; V169-F190 HydrophobicContact CG1-CD2 4.25Å; V169-F190 HydrophobicContact CG1-CE1 4.02Å; V169-F190 HydrophobicContact CG1-CE2 4.2Å; V169-F190 HydrophobicContact CG1-CG 4.19Å; V169-F190 HydrophobicContact CG1-CZ 4.08Å
170	M	96.9	Very high	92.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-38.9	175.8	-163.5	70.7	-161.2	0	0	112	V137 L140 T141 L150 M166 I167 H173 I174 F190 M220	V137-M170 HydrophobicContact CG1-CE 4.28Å; L140-M170 HydrophobicContact CB-CE 3.54Å; L140-M170 HydrophobicContact CB-SD 4.43Å; T141-M170 VanDerWaalsContact OG1-CE 3.32Å; T141-M170 WeakPolarHBondContact OG1-CE 3.14Å; L150-M170 HydrophobicContact CD1-CB 3.96Å; L150-M170 HydrophobicContact CD1-CG 3.62Å; M166-M170 PolarHBondContact O-N 3.21Å; I167-M170 PolarHBondContact O-N 3.1Å; M170-H173 PolarHBondContact O-N 2.73Å; M170-I174 HydrophobicContact CE-CD1 3.85Å; M170-I174 HydrophobicContact CE-CG1 3.84Å; M170-I174 HydrophobicContact CG-CD1 4.2Å; M170-I174 HydrophobicContact CG-CG1 4.42Å; M170-I174 WeakPolarHBondContact O-CG1 3.22Å; M170-I174 PolarHBondContact O-N 3.18Å; M170-F190 HydrophobicContact SD-CE1 4.21Å; M170-F190 HydrophobicContact SD-CZ 3.88Å; M170-M220 HydrophobicContact CB-SD 4.39Å; M170-M220 HydrophobicContact CG-SD 4.41Å
171	Q	96.6	Very high	93.3	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.014	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-51.7	178.7	-155.1	-163.5	-91	0	0	111.3	L150 S156 I167 C168 V169 H173 I174 I175	L150-Q171 HydrophobicContact CB-CB 4.41Å; L150-Q171 HydrophobicContact CB-CG 3.94Å; L150-Q171 HydrophobicContact CD2-CB 3.95Å; L150-Q171 HydrophobicContact CD2-CG 3.96Å; L150-Q171 WeakPolarHBondContact O-CG 3.4Å; S156-Q171 VanDerWaalsContact CB-NE2 3.27Å; S156-Q171 PolarHBondContact OG-NE2 3.2Å; S156-Q171 PolarHBondContact OG-OE1 3.48Å; I167-Q171 WeakPolarHBondContact O-CB 3.39Å; I167-Q171 PolarHBondContact O-N 3.12Å; C168-Q171 PolarHBondContact O-N 3.48Å; V169-Q171 PolarHBondContact O-N 3.48Å; Q171-H173 VanDerWaalsContact C-N 3.28Å; Q171-H173 PolarHBondContact O-N 3.25Å; Q171-I174 PolarHBondContact O-N 3.03Å; Q171-I175 HydrophobicContact CG-CD1 4.19Å; Q171-I175 WeakPolarHBondContact O-CD1 3.31Å; Q171-I175 VanDerWaalsContact O-CG1 3.24Å; Q171-I175 WeakPolarHBondContact O-CG1 3.42Å; Q171-I175 PolarHBondContact O-N 2.8Å; Q171-I175 VanDerWaalsContact O-N 3.08Å
172	N	95.5	Very high	93.6	Very high	86 Å²	86	38.3 Å²	38.3	46%	0.46	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-37.8	178.9	-69.7	-11.3	0	0	0	111.2	C168 Q176	C168-N172 WeakPolarHBondContact O-CB 3.22Å; C168-N172 PolarHBondContact O-N 3.37Å; N172-Q176 WeakPolarHBondContact O-CB 3.22Å; N172-Q176 VanDerWaalsContact O-CG 3.28Å; N172-Q176 WeakPolarHBondContact O-CG 3.26Å; N172-Q176 PolarHBondContact O-N 3.15Å
173	H	96.6	Very high	94.4	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.028	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-51.3	175	176.6	65.4	0	0	0	113	V137 T141 V169 M170 Q171 I175 Q176 A177 F190	V137-H173 WeakPolarHBondContact CG1-CD2 3.32Å; V137-H173 WeakPolarHBondContact CG1-NE2 3.2Å; T141-H173 PolarHBondContact OG1-CD2 2.93Å; T141-H173 VanDerWaalsContact OG1-CD2 3.27Å; T141-H173 PolarHBondContact OG1-NE2 3.37Å; V169-H173 WeakPolarHBondContact O-CB 3.39Å; V169-H173 PolarHBondContact O-N 3.13Å; M170-H173 PolarHBondContact O-N 2.73Å; Q171-H173 VanDerWaalsContact C-N 3.28Å; Q171-H173 PolarHBondContact O-N 3.25Å; H173-I175 VanDerWaalsContact C-N 3.3Å; H173-I175 PolarHBondContact O-N 2.83Å; H173-Q176 PolarHBondContact O-N 2.88Å; H173-Q176 VanDerWaalsContact O-N 3.13Å; H173-A177 WeakPolarHBondContact O-CB 3.3Å; H173-A177 PolarHBondContact O-N 2.86Å; H173-F190 HydrophobicContact CB-CE2 3.65Å; H173-F190 HydrophobicContact CB-CZ 3.91Å; H173-F190 AromaticContact CG-CE2 3.56Å; H173-F190 AromaticContact CG-CZ 3.95Å; H173-F190 AromaticContact ND1-CE2 3.85Å
174	I	96.4	Very high	94.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-40.1	-179.2	-68.5	-175.4	0	0	0	110.9	T141 L150 L151 M170 Q171 A177 F178	T141-I174 HydrophobicContact CG2-CG1 4.14Å; L150-I174 HydrophobicContact CB-CD1 4.26Å; L150-I174 HydrophobicContact CD1-CD1 3.63Å; L151-I174 HydrophobicContact CD1-CG2 3.92Å; L151-I174 HydrophobicContact CD2-CG2 3.91Å; L151-I174 HydrophobicContact CG-CG2 3.77Å; M170-I174 HydrophobicContact CE-CD1 3.85Å; M170-I174 HydrophobicContact CE-CG1 3.84Å; M170-I174 HydrophobicContact CG-CD1 4.2Å; M170-I174 HydrophobicContact CG-CG1 4.42Å; M170-I174 WeakPolarHBondContact O-CG1 3.22Å; M170-I174 PolarHBondContact O-N 3.18Å; Q171-I174 PolarHBondContact O-N 3.03Å; I174-A177 PolarHBondContact O-N 3.06Å; I174-F178 HydrophobicContact CG2-CD2 3.74Å; I174-F178 HydrophobicContact CG2-CE2 3.79Å; I174-F178 WeakPolarHBondContact O-CD2 3.32Å; I174-F178 PolarHBondContact O-N 3.3Å; I174-F178 VanDerWaalsContact O-N 3.13Å
175	I	95.6	Very high	95.1	Very high	46 Å²	46	34 Å²	34	24%	0.236	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-47.6	174.1	-67.3	161.7	0	0	0	110.6	L151 K153 Q171 H173 A179	L151-I175 HydrophobicContact CD2-CG1 4.1Å; K153-I175 HydrophobicContact CD-CD1 4.35Å; K153-I175 HydrophobicContact CG-CD1 4.22Å; Q171-I175 HydrophobicContact CG-CD1 4.19Å; Q171-I175 WeakPolarHBondContact O-CD1 3.31Å; Q171-I175 VanDerWaalsContact O-CG1 3.24Å; Q171-I175 WeakPolarHBondContact O-CG1 3.42Å; Q171-I175 PolarHBondContact O-N 2.8Å; Q171-I175 VanDerWaalsContact O-N 3.08Å; H173-I175 VanDerWaalsContact C-N 3.3Å; H173-I175 PolarHBondContact O-N 2.83Å; I175-A179 WeakPolarHBondContact O-CB 3.29Å; I175-A179 PolarHBondContact O-N 2.85Å
176	Q	95.8	Very high	95.2	Very high	92 Å²	92	39.9 Å²	39.9	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-65	-40.9	178	-74.8	173.6	-8	0	0	112.6	N172 H173 A179 N180 I185	N172-Q176 WeakPolarHBondContact O-CB 3.22Å; N172-Q176 VanDerWaalsContact O-CG 3.28Å; N172-Q176 WeakPolarHBondContact O-CG 3.26Å; N172-Q176 PolarHBondContact O-N 3.15Å; H173-Q176 PolarHBondContact O-N 2.88Å; H173-Q176 VanDerWaalsContact O-N 3.13Å; Q176-A179 PolarHBondContact O-N 3.16Å; Q176-N180 WeakPolarHBondContact O-CB 3.49Å; Q176-N180 PolarHBondContact O-N 3.48Å; Q176-N180 PolarHBondContact O-ND2 2.96Å; Q176-I185 HydrophobicContact CB-CD1 4.04Å
177	A	96.4	Very high	95.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-49.8	-178.9	0	0	0	0	0	111.6	G121 A122 T141 H173 I174 N180 I185	G121-A177 CarbonylContact C-O 3.55Å; G121-A177 WeakPolarHBondContact CA-O 3.35Å; A122-A177 PolarHBondContact N-O 3.47Å; T141-A177 HydrophobicContact CG2-CB 4.25Å; H173-A177 WeakPolarHBondContact O-CB 3.3Å; H173-A177 PolarHBondContact O-N 2.86Å; I174-A177 PolarHBondContact O-N 3.06Å; A177-N180 PolarHBondContact O-N 2.76Å; A177-I185 HydrophobicContact CB-CD1 4.24Å
178	F	95.6	Very high	95	Very high	19 Å²	19	43.8 Å²	43.8	8%	0.083	26%	0.262	C	S	.	.	H	α-helix	trans	-72.8	-32.7	178.5	-72.1	-62.7	0	0	0	113.1	W114 Y118 R119 T141 Y142 L151 I174 N180 T181	W114-F178 HydrophobicContact CH2-CE2 4.44Å; W114-F178 AromaticContact CH2-CZ 3.96Å; W114-F178 HydrophobicContact CH2-CZ 3.96Å; W114-F178 HydrophobicContact CZ3-CE2 4.46Å; W114-F178 HydrophobicContact CZ3-CZ 4.23Å; Y118-F178 HydrophobicContact CG-CD1 4.33Å; R119-F178 WeakPolarHBondContact O-CD1 3.47Å; T141-F178 HydrophobicContact CG2-CE2 4.03Å; T141-F178 HydrophobicContact CG2-CZ 4.26Å; Y142-F178 HydrophobicContact CD1-CZ 4.43Å; Y142-F178 HydrophobicContact CE1-CE1 4.01Å; Y142-F178 HydrophobicContact CE1-CZ 4.06Å; L151-F178 HydrophobicContact CD1-CD2 4Å; L151-F178 HydrophobicContact CD1-CE2 4.17Å; I174-F178 HydrophobicContact CG2-CD2 3.74Å; I174-F178 HydrophobicContact CG2-CE2 3.79Å; I174-F178 WeakPolarHBondContact O-CD2 3.32Å; I174-F178 PolarHBondContact O-N 3.3Å; I174-F178 VanDerWaalsContact O-N 3.13Å; F178-N180 VanDerWaalsContact C-N 3.34Å; F178-N180 PolarHBondContact O-N 3.39Å; F178-T181 PolarHBondContact O-OG1 2.97Å
179	A	95	Very high	94.9	Very high	78 Å²	78	44.5 Å²	44.5	65%	0.645	27%	0.267	S	S	*	.	H	α-helix	trans	-65.2	-34.9	174.4	0	0	0	0	0	113.2	I175 Q176 T181	I175-A179 WeakPolarHBondContact O-CB 3.29Å; I175-A179 PolarHBondContact O-N 2.85Å; Q176-A179 PolarHBondContact O-N 3.16Å; A179-T181 VanDerWaalsContact C-N 3.33Å; A179-T181 PolarHBondContact O-N 2.86Å
180	N	94.8	Very high	94.7	Very high	60 Å²	60	43.7 Å²	43.7	32%	0.321	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	38	-178.7	-67.6	-88.2	0	0	0	112.5	A122 Q176 A177 F178 G182 N183 I185	A122-N180 HydrophobicContact CB-CB 4.07Å; A122-N180 WeakPolarHBondContact CB-O 3.3Å; Q176-N180 WeakPolarHBondContact O-CB 3.49Å; Q176-N180 PolarHBondContact O-N 3.48Å; Q176-N180 PolarHBondContact O-ND2 2.96Å; A177-N180 PolarHBondContact O-N 2.76Å; F178-N180 VanDerWaalsContact C-N 3.34Å; F178-N180 PolarHBondContact O-N 3.39Å; N180-G182 PolarHBondContact O-N 3.5Å; N180-N183 HydrophobicContact CB-CB 4.37Å; N180-N183 PolarHBondContact O-N 2.98Å; N180-I185 HydrophobicContact CB-CG2 3.68Å
181	T	91.4	Very high	94.4	Very high	47 Å²	47	45 Å²	45	29%	0.288	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.5	127.8	173.1	-73.3	0	0	0	0	111.6	R119 V120 F178 A179 N183	R119-T181 HydrophobicContact CB-CG2 3.56Å; R119-T181 HydrophobicContact CG-CG2 4.33Å; V120-T181 WeakPolarHBondContact O-CA 3.48Å; V120-T181 WeakPolarHBondContact O-CG2 3.5Å; V120-T181 PolarHBondContact O-OG1 2.85Å; F178-T181 PolarHBondContact O-OG1 2.97Å; A179-T181 VanDerWaalsContact C-N 3.33Å; A179-T181 PolarHBondContact O-N 2.86Å; T181-N183 PolarHBondContact O-N 3.18Å
182	G	89.3	Confident	94.1	Very high	68 Å²	68	53.4 Å²	53.4	70%	0.701	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-14.7	177.9	0	0	0	0	0	116.1	N180	N180-G182 PolarHBondContact O-N 3.5Å
183	N	94	Very high	93.8	Very high	103 Å²	103	49.6 Å²	49.6	55%	0.551	28%	0.28	S	S	*	.	S	Bend	trans	-92.6	179.7	173.3	-67.1	-27.2	0	0	0	111.1	A122 G123 N180 T181	A122-N183 CarbonylContact C-O 2.87Å; A122-N183 WeakPolarHBondContact CA-O 3.44Å; A122-N183 WeakPolarHBondContact CB-O 3.44Å; G123-N183 PolarHBondContact N-O 3.46Å; N180-N183 HydrophobicContact CB-CB 4.37Å; N180-N183 PolarHBondContact O-N 2.98Å; T181-N183 PolarHBondContact O-N 3.18Å
184	A	96.3	Very high	93.6	Very high	31 Å²	31	49.7 Å²	49.7	26%	0.256	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.5	165.7	0	0	0	0	0	111.2	G123 H125	G123-A184 CarbonylContact O-C 3.56Å; G123-A184 VanDerWaalsContact O-CA 3.24Å; G123-A184 WeakPolarHBondContact O-CA 3.43Å; H125-A184 WeakPolarHBondContact NE2-CB 3.39Å
185	I	97	Very high	93.2	Very high	19 Å²	19	57.4 Å²	57.4	10%	0.097	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	158.3	179.7	62.5	173.8	0	0	0	111.4	A122 G123 L124 H125 Q176 A177 N180	A122-I185 HydrophobicContact CB-CB 4.49Å; A122-I185 HydrophobicContact CB-CD1 4.27Å; A122-I185 HydrophobicContact CB-CG1 3.98Å; A122-I185 HydrophobicContact CB-CG2 3.96Å; G123-I185 PolarHBondContact O-N 3.03Å; L124-I185 WeakPolarHBondContact CA-O 3.29Å; L124-I185 HydrophobicContact CD2-CD1 4.06Å; L124-I185 HydrophobicContact CD2-CG1 3.6Å; H125-I185 PolarHBondContact N-O 2.77Å; Q176-I185 HydrophobicContact CB-CD1 4.04Å; A177-I185 HydrophobicContact CB-CD1 4.24Å; N180-I185 HydrophobicContact CB-CG2 3.68Å
186	K	95.6	Very high	92.9	Very high	130 Å²	130	61.1 Å²	61.1	57%	0.565	33%	0.329	S	S	*	.			trans	-100	116.7	179.8	-68.9	179.8	179.7	177.9	0	109.6	H125 L127 V188	H125-K186 HydrophobicContact CB-CG 4Å; L127-K186 HydrophobicContact CD1-CB 4.18Å; L127-K186 HydrophobicContact CD2-CD 4.28Å; L127-K186 HydrophobicContact CD2-CG 4.32Å; K186-V188 HydrophobicContact CB-CG2 3.81Å; K186-V188 PolarHBondContact O-N 3.41Å
187	P	93.6	Very high	92.7	Very high	5 Å²	5	57 Å²	57	3%	0.032	31%	0.309	C	S	.	.			trans	-78	43.5	-175.8	32	-35.9	0	0	0	113.7	L133 N134 S189 F190 I191	L133-P187 HydrophobicContact CD2-CB 4.16Å; L133-P187 HydrophobicContact CD2-CG 4.08Å; N134-P187 WeakPolarHBondContact OD1-CG 3.1Å; P187-S189 PolarHBondContact O-N 3.02Å; P187-S189 VanDerWaalsContact O-N 3.12Å; P187-F190 HydrophobicContact CB-CD2 3.98Å; P187-F190 PolarHBondContact O-N 2.71Å; P187-I191 PolarHBondContact O-N 2.85Å
188	V	92.4	Very high	92.3	Very high	79 Å²	79	57.1 Å²	57.1	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-55.4	-35.8	-171.1	-174.1	0	0	0	0	112.6	L127 K186 F190 I191 R192	L127-V188 HydrophobicContact CD1-CG2 4.46Å; K186-V188 HydrophobicContact CB-CG2 3.81Å; K186-V188 PolarHBondContact O-N 3.41Å; V188-F190 VanDerWaalsContact C-N 3.31Å; V188-F190 PolarHBondContact O-N 3.03Å; V188-I191 PolarHBondContact O-N 2.94Å; V188-I191 VanDerWaalsContact O-N 3.15Å; V188-R192 WeakPolarHBondContact O-CB 3.33Å; V188-R192 PolarHBondContact O-N 3.16Å
189	S	91.9	Very high	92	Very high	45 Å²	45	67.4 Å²	67.4	32%	0.315	35%	0.349	S	S	.	.	H	α-helix	trans	-58.7	-37.8	177.7	-54.1	0	0	0	0	113.4	P187 D193	P187-S189 PolarHBondContact O-N 3.02Å; P187-S189 VanDerWaalsContact O-N 3.12Å; S189-D193 PolarHBondContact O-N 2.89Å
190	F	92.3	Very high	91.6	Very high	1 Å²	1	67.2 Å²	67.2	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-72.5	-36.4	176.7	-66	-94	0	0	0	111.7	L133 V137 M166 V169 M170 H173 P187 V188 D193 L194 I197 F212	L133-F190 HydrophobicContact CD1-CB 3.89Å; L133-F190 HydrophobicContact CD2-CB 4.28Å; L133-F190 HydrophobicContact CG-CB 4.42Å; V137-F190 HydrophobicContact CG1-CE1 4.44Å; V137-F190 HydrophobicContact CG1-CE2 3.98Å; V137-F190 HydrophobicContact CG1-CZ 3.75Å; V137-F190 HydrophobicContact CG2-CD1 4.03Å; V137-F190 HydrophobicContact CG2-CE1 3.72Å; V137-F190 HydrophobicContact CG2-CE2 4.25Å; V137-F190 HydrophobicContact CG2-CG 4.44Å; V137-F190 HydrophobicContact CG2-CZ 3.84Å; M166-F190 HydrophobicContact CE-CD1 3.77Å; M166-F190 HydrophobicContact CE-CE1 3.69Å; V169-F190 HydrophobicContact CG1-CD1 4.09Å; V169-F190 HydrophobicContact CG1-CD2 4.25Å; V169-F190 HydrophobicContact CG1-CE1 4.02Å; V169-F190 HydrophobicContact CG1-CE2 4.2Å; V169-F190 HydrophobicContact CG1-CG 4.19Å; V169-F190 HydrophobicContact CG1-CZ 4.08Å; M170-F190 HydrophobicContact SD-CE1 4.21Å; M170-F190 HydrophobicContact SD-CZ 3.88Å; H173-F190 HydrophobicContact CB-CE2 3.65Å; H173-F190 HydrophobicContact CB-CZ 3.91Å; H173-F190 AromaticContact CG-CE2 3.56Å; H173-F190 AromaticContact CG-CZ 3.95Å; H173-F190 AromaticContact ND1-CE2 3.85Å; P187-F190 HydrophobicContact CB-CD2 3.98Å; P187-F190 PolarHBondContact O-N 2.71Å; V188-F190 VanDerWaalsContact C-N 3.31Å; V188-F190 PolarHBondContact O-N 3.03Å; F190-D193 CarbonylContact O-C 3.57Å; F190-L194 VanDerWaalsContact O-CA 3.28Å; F190-L194 WeakPolarHBondContact O-CA 3.49Å; F190-L194 WeakPolarHBondContact O-CB 3.48Å; F190-L194 PolarHBondContact O-N 3.43Å; F190-I197 HydrophobicContact CD1-CD1 4.42Å; F190-F212 HydrophobicContact CD1-CZ 4.46Å
191	I	90.4	Very high	91.4	Very high	28 Å²	28	64.5 Å²	64.5	14%	0.144	32%	0.32	C	S	.	.	H	α-helix	trans	-71.8	-47.6	-178	-67.4	163.4	0	0	0	110.8	L127 T130 L133 P187 V188 D193 L194 F203	L127-I191 HydrophobicContact CB-CD1 4.01Å; L127-I191 HydrophobicContact CD1-CD1 3.45Å; L127-I191 VanDerWaalsContact CD1-CD1 3.45Å; L127-I191 HydrophobicContact CG-CD1 4.32Å; T130-I191 HydrophobicContact CG2-CD1 4.04Å; T130-I191 HydrophobicContact CG2-CG1 4.45Å; L133-I191 HydrophobicContact CD1-CG1 4.24Å; P187-I191 PolarHBondContact O-N 2.85Å; V188-I191 PolarHBondContact O-N 2.94Å; V188-I191 VanDerWaalsContact O-N 3.15Å; I191-D193 PolarHBondContact O-N 2.96Å; I191-L194 WeakPolarHBondContact O-CB 3.34Å; I191-L194 PolarHBondContact O-N 3.03Å; I191-L194 VanDerWaalsContact O-N 3.16Å; I191-F203 HydrophobicContact CD1-CE2 4.19Å; I191-F203 HydrophobicContact CG1-CD2 4.5Å; I191-F203 HydrophobicContact CG2-CD2 3.42Å; I191-F203 VanDerWaalsContact CG2-CD2 3.42Å; I191-F203 HydrophobicContact CG2-CE2 3.69Å; I191-F203 HydrophobicContact CG2-CG 4.02Å; I191-F203 HydrophobicContact CG2-CZ 4.48Å
192	R	90.4	Very high	91.2	Very high	178 Å²	178	70.8 Å²	70.8	67%	0.672	34%	0.338	S	S	*	.	H	α-helix	trans	-56.6	-40.3	176.4	-176.5	-168.8	66.1	-169.3	-3.3	111.8	V188	V188-R192 WeakPolarHBondContact O-CB 3.33Å; V188-R192 PolarHBondContact O-N 3.16Å
193	D	89.4	Confident	91.1	Very high	6 Å²	6	73.3 Å²	73.3	3%	0.032	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	10.5	-178	-66.3	-75.5	0	0	0	113.3	F164 S189 F190 I191 K195 K196 I197	F164-D193 HydrophobicContact CD2-CB 3.69Å; F164-D193 HydrophobicContact CE2-CB 3.56Å; S189-D193 PolarHBondContact O-N 2.89Å; F190-D193 CarbonylContact O-C 3.57Å; I191-D193 PolarHBondContact O-N 2.96Å; D193-K195 VanDerWaalsContact C-N 3.34Å; D193-K195 PolarHBondContact O-N 2.98Å; D193-K196 HydrophobicContact CB-CD 4.3Å; D193-K196 WeakPolarHBondContact O-CA 3.38Å; D193-K196 VanDerWaalsContact O-CB 3.27Å; D193-K196 WeakPolarHBondContact O-CB 2.98Å; D193-K196 PolarHBondContact O-N 3.03Å; D193-K196 WeakPolarHBondContact OD1-CD 3.44Å; D193-K196 VanDerWaalsContact OD1-CE 3.25Å; D193-K196 WeakPolarHBondContact OD1-CE 3.26Å; D193-K196 IonicContact OD1-NZ 3.92Å; D193-K196 PolarHBondContact OD1-NZ 3.4Å; D193-I197 PolarHBondContact O-N 3.31Å
194	L	90.9	Very high	90.7	Very high	8 Å²	8	70.1 Å²	70.1	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-55.7	-45	-175.3	-176.1	62.4	0	0	0	112.5	F190 I191 K196 I197 A198 F201 F212	F190-L194 VanDerWaalsContact O-CA 3.28Å; F190-L194 WeakPolarHBondContact O-CA 3.49Å; F190-L194 WeakPolarHBondContact O-CB 3.48Å; F190-L194 PolarHBondContact O-N 3.43Å; I191-L194 WeakPolarHBondContact O-CB 3.34Å; I191-L194 PolarHBondContact O-N 3.03Å; I191-L194 VanDerWaalsContact O-N 3.16Å; L194-K196 PolarHBondContact O-N 3.47Å; L194-K196 VanDerWaalsContact O-N 3.13Å; L194-I197 WeakPolarHBondContact O-CB 3.44Å; L194-I197 PolarHBondContact O-N 3.29Å; L194-A198 PolarHBondContact O-N 3.3Å; L194-A198 VanDerWaalsContact O-O 3.07Å; L194-F201 HydrophobicContact CD1-CB 4.12Å; L194-F201 HydrophobicContact CD1-CD2 3.87Å; L194-F201 HydrophobicContact CD1-CG 4.43Å; L194-F201 HydrophobicContact CD2-CB 4.08Å; L194-F201 HydrophobicContact CG-CB 3.92Å; L194-F212 HydrophobicContact CD1-CD2 4.15Å; L194-F212 HydrophobicContact CD1-CE2 3.82Å
195	K	89.2	Confident	90.4	Very high	162 Å²	162	70.9 Å²	70.9	70%	0.704	33%	0.325	S	S	*	.	H	α-helix	trans	-61.9	-18.8	176.5	-67.4	-178.2	179.1	177.6	0	113.7	D193 A198	D193-K195 VanDerWaalsContact C-N 3.34Å; D193-K195 PolarHBondContact O-N 2.98Å; K195-A198 CarbonylContact C-O 3.56Å; K195-A198 WeakPolarHBondContact CA-O 3.3Å
196	K	90	Very high	90	Very high	124 Å²	124	73.4 Å²	73.4	54%	0.539	34%	0.336	S	S	.	.	H	α-helix	trans	-89.1	-29.8	175.4	-52.2	179.6	-171.8	164.8	0	111.8	F164 D193 L194	F164-K196 HydrophobicContact CB-CD 3.69Å; F164-K196 HydrophobicContact CD1-CB 3.87Å; F164-K196 HydrophobicContact CD1-CD 4.26Å; F164-K196 HydrophobicContact CD2-CB 4.48Å; F164-K196 HydrophobicContact CD2-CD 4.09Å; F164-K196 HydrophobicContact CE1-CB 3.94Å; F164-K196 HydrophobicContact CG-CB 4.15Å; F164-K196 HydrophobicContact CG-CD 3.75Å; F164-K196 HydrophobicContact CZ-CB 4.29Å; D193-K196 HydrophobicContact CB-CD 4.3Å; D193-K196 WeakPolarHBondContact O-CA 3.38Å; D193-K196 VanDerWaalsContact O-CB 3.27Å; D193-K196 WeakPolarHBondContact O-CB 2.98Å; D193-K196 PolarHBondContact O-N 3.03Å; D193-K196 WeakPolarHBondContact OD1-CD 3.44Å; D193-K196 VanDerWaalsContact OD1-CE 3.25Å; D193-K196 WeakPolarHBondContact OD1-CE 3.26Å; D193-K196 IonicContact OD1-NZ 3.92Å; D193-K196 PolarHBondContact OD1-NZ 3.4Å; L194-K196 PolarHBondContact O-N 3.47Å; L194-K196 VanDerWaalsContact O-N 3.13Å
197	I	89.7	Confident	89.8	Confident	5 Å²	5	69 Å²	69	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-68.1	-55.8	170.4	-60.8	167.5	0	0	0	109.2	F164 M166 F190 D193 L194 F212 Y215	F164-I197 HydrophobicContact CZ-CG1 3.85Å; M166-I197 HydrophobicContact CE-CD1 3.55Å; M166-I197 HydrophobicContact CE-CG1 4Å; M166-I197 HydrophobicContact SD-CD1 3.81Å; M166-I197 HydrophobicContact SD-CG1 3.81Å; F190-I197 HydrophobicContact CD1-CD1 4.42Å; D193-I197 PolarHBondContact O-N 3.31Å; L194-I197 WeakPolarHBondContact O-CB 3.44Å; L194-I197 PolarHBondContact O-N 3.29Å; I197-F212 HydrophobicContact CD1-CE2 4.19Å; I197-F212 HydrophobicContact CD1-CZ 4.48Å; I197-F212 HydrophobicContact CG2-CE2 4.24Å; I197-Y215 VanDerWaalsContact O-CD1 3.31Å; I197-Y215 WeakPolarHBondContact O-CD1 3.3Å
198	A	89.2	Confident	89.7	Confident	3 Å²	3	71 Å²	71	3%	0.025	33%	0.329	C	S	.	.			trans	-143.4	137	171.5	0	0	0	0	0	111.3	L194 K195 H200 F201 Y215	L194-A198 PolarHBondContact O-N 3.3Å; L194-A198 VanDerWaalsContact O-O 3.07Å; K195-A198 CarbonylContact C-O 3.56Å; K195-A198 WeakPolarHBondContact CA-O 3.3Å; A198-H200 PolarHBondContact O-N 2.87Å; A198-F201 HydrophobicContact CB-CD2 3.43Å; A198-F201 VanDerWaalsContact CB-CD2 3.43Å; A198-F201 HydrophobicContact CB-CE2 3.53Å; A198-F201 HydrophobicContact CB-CG 4.06Å; A198-F201 HydrophobicContact CB-CZ 4.29Å; A198-Y215 HydrophobicContact CB-CD1 3.42Å; A198-Y215 VanDerWaalsContact CB-CD1 3.42Å; A198-Y215 HydrophobicContact CB-CD2 3.96Å; A198-Y215 HydrophobicContact CB-CE1 3.51Å; A198-Y215 HydrophobicContact CB-CE2 4.08Å; A198-Y215 HydrophobicContact CB-CG 3.61Å
199	R	88.8	Confident	89.8	Confident	235 Å²	235	67.3 Å²	67.3	89%	0.887	31%	0.306	S	S	*	.	S	Bend	trans	-74.7	-20.1	-172.3	-70.4	-174.8	176.3	-170.2	-2.6	114.9
200	H	87.5	Confident	89.9	Confident	74 Å²	74	66.6 Å²	66.6	34%	0.343	30%	0.297	S	S	.	.	S	Bend	trans	-95.1	-24.6	-174	65.3	-64.9	0	0	0	113.4	A198 R202 E211 Y215	A198-H200 PolarHBondContact O-N 2.87Å; H200-R202 PolarHBondContact O-N 3.15Å; H200-E211 IonicContact CD2-OE2 3.39Å; H200-E211 IonicContact CE1-OE2 3.8Å; H200-E211 IonicContact NE2-OE2 2.67Å; H200-E211 PolarHBondContact NE2-OE2 2.77Å; H200-Y215 AromaticContact CE1-CE2 3.51Å; H200-Y215 AromaticContact CE1-CZ 3.58Å; H200-Y215 PolarHBondContact CE1-OH 3.29Å; H200-Y215 PolarHBondContact ND1-OH 3.23Å
201	F	89.8	Confident	89.9	Confident	3 Å²	3	67.7 Å²	67.7	1%	0.013	30%	0.302	C	S	.	.			trans	-59.4	132.6	178.6	-68.7	-30.5	0	0	0	111.8	L194 A198 E207 E211 F212 Y215	L194-F201 HydrophobicContact CD1-CB 4.12Å; L194-F201 HydrophobicContact CD1-CD2 3.87Å; L194-F201 HydrophobicContact CD1-CG 4.43Å; L194-F201 HydrophobicContact CD2-CB 4.08Å; L194-F201 HydrophobicContact CG-CB 3.92Å; A198-F201 HydrophobicContact CB-CD2 3.43Å; A198-F201 VanDerWaalsContact CB-CD2 3.43Å; A198-F201 HydrophobicContact CB-CE2 3.53Å; A198-F201 HydrophobicContact CB-CG 4.06Å; A198-F201 HydrophobicContact CB-CZ 4.29Å; F201-E207 VanDerWaalsContact CA-OE1 3.31Å; F201-E207 WeakPolarHBondContact CA-OE1 3.28Å; F201-E207 HydrophobicContact CD1-CB 3.97Å; F201-E207 VanDerWaalsContact CD1-CD 3.45Å; F201-E207 HydrophobicContact CD1-CG 3.72Å; F201-E207 WeakPolarHBondContact CD1-OE2 3.27Å; F201-E207 HydrophobicContact CE1-CB 3.99Å; F201-E207 HydrophobicContact CE1-CG 4.27Å; F201-E207 HydrophobicContact CG-CG 4.36Å; F201-E211 HydrophobicContact CE1-CG 4.38Å; F201-E211 WeakPolarHBondContact CE1-OE2 3.48Å; F201-E211 HydrophobicContact CZ-CB 4.28Å; F201-E211 HydrophobicContact CZ-CG 4.11Å; F201-F212 HydrophobicContact CD2-CD2 4.06Å; F201-F212 HydrophobicContact CE2-CB 3.92Å; F201-F212 AromaticContact CE2-CD2 3.67Å; F201-F212 HydrophobicContact CE2-CD2 3.67Å; F201-F212 HydrophobicContact CE2-CG 4.28Å; F201-F212 HydrophobicContact CZ-CB 3.92Å; F201-F212 HydrophobicContact CZ-CD2 4.49Å; F201-Y215 HydrophobicContact CE2-CD2 4.33Å; F201-Y215 HydrophobicContact CZ-CD2 4.18Å
202	R	86.6	Confident	90.2	Very high	180 Å²	180	66.3 Å²	66.3	68%	0.679	30%	0.296	S	S	*	.			trans	-110.4	130.3	178.5	-65.4	-177.5	-179.7	-155.4	-0.7	110	H200 G204 S205 E207	H200-R202 PolarHBondContact O-N 3.15Å; R202-G204 PolarHBondContact O-N 2.88Å; R202-S205 WeakPolarHBondContact CB-OG 3.17Å; R202-S205 WeakPolarHBondContact O-CB 3.08Å; R202-S205 PolarHBondContact O-N 3.48Å; R202-E207 PolarHBondContact N-OE1 3.17Å
203	F	88.3	Confident	90.5	Very high	121 Å²	121	58 Å²	58	53%	0.531	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	137.6	171	174.8	-113.1	0	0	0	109.8	L127 T130 I191 S205	L127-F203 HydrophobicContact CB-CE2 4.32Å; L127-F203 VanDerWaalsContact O-CE2 3.29Å; L127-F203 WeakPolarHBondContact O-CE2 3.36Å; L127-F203 WeakPolarHBondContact O-CZ 3.39Å; T130-F203 HydrophobicContact CG2-CD2 4.49Å; T130-F203 HydrophobicContact CG2-CE2 4.16Å; I191-F203 HydrophobicContact CD1-CE2 4.19Å; I191-F203 HydrophobicContact CG1-CD2 4.5Å; I191-F203 HydrophobicContact CG2-CD2 3.42Å; I191-F203 VanDerWaalsContact CG2-CD2 3.42Å; I191-F203 HydrophobicContact CG2-CE2 3.69Å; I191-F203 HydrophobicContact CG2-CG 4.02Å; I191-F203 HydrophobicContact CG2-CZ 4.48Å; F203-S205 VanDerWaalsContact C-N 3.29Å; F203-S205 PolarHBondContact O-N 3.45Å
204	G	86.1	Confident	90.7	Very high	36 Å²	36	59.8 Å²	59.8	37%	0.371	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-11.5	-173.7	0	0	0	0	0	115.3	N129 R202	N129-G204 PolarHBondContact ND2-O 2.83Å; R202-G204 PolarHBondContact O-N 2.88Å
205	S	88.4	Confident	91	Very high	47 Å²	47	60.8 Å²	60.8	33%	0.329	27%	0.274	S	S	.	.	S	Bend	trans	-88.8	151.7	174.2	-59.9	0	0	0	0	112	R202 F203	R202-S205 WeakPolarHBondContact CB-OG 3.17Å; R202-S205 WeakPolarHBondContact O-CB 3.08Å; R202-S205 PolarHBondContact O-N 3.48Å; F203-S205 VanDerWaalsContact C-N 3.29Å; F203-S205 PolarHBondContact O-N 3.45Å
206	Q	88.5	Confident	91.3	Very high	71 Å²	71	53.1 Å²	53.1	33%	0.332	24%	0.241	S	C	.	.			trans	-79.5	135.2	165.7	-64.8	-162.9	-1.2	0	0	109.2	N129 G381	N129-Q206 HydrophobicContact CB-CG 3.75Å; N129-Q206 VanDerWaalsContact CG-CG 3.43Å; N129-Q206 VanDerWaalsContact OD1-CG 3.28Å; N129-Q206 WeakPolarHBondContact OD1-CG 3.43Å; N129-Q206 PolarHBondContact OD1-NE2 3.01Å; Q206-G381 PolarHBondContact NE2-O 2.83Å; Q206-G381 PolarHBondContact OE1-O 3.16Å
207	E	91.4	Very high	91.6	Very high	39 Å²	39	47.5 Å²	47.5	18%	0.182	22%	0.216	C	C	.	.			trans	-135.6	166.4	-175.9	-55.4	-77.3	-170.7	0	0	109.7	F132 F201 R202 Y383	F132-E207 WeakPolarHBondContact CB-O 3.36Å; F132-E207 HydrophobicContact CD1-CB 4.05Å; F132-E207 HydrophobicContact CD2-CB 4.01Å; F132-E207 HydrophobicContact CE1-CB 3.82Å; F132-E207 HydrophobicContact CE1-CG 3.9Å; F132-E207 HydrophobicContact CE2-CB 3.79Å; F132-E207 HydrophobicContact CE2-CG 4.25Å; F132-E207 HydrophobicContact CG-CB 4.15Å; F132-E207 HydrophobicContact CZ-CB 3.7Å; F132-E207 HydrophobicContact CZ-CG 3.73Å; F201-E207 VanDerWaalsContact CA-OE1 3.31Å; F201-E207 WeakPolarHBondContact CA-OE1 3.28Å; F201-E207 HydrophobicContact CD1-CB 3.97Å; F201-E207 VanDerWaalsContact CD1-CD 3.45Å; F201-E207 HydrophobicContact CD1-CG 3.72Å; F201-E207 WeakPolarHBondContact CD1-OE2 3.27Å; F201-E207 HydrophobicContact CE1-CB 3.99Å; F201-E207 HydrophobicContact CE1-CG 4.27Å; F201-E207 HydrophobicContact CG-CG 4.36Å; R202-E207 PolarHBondContact N-OE1 3.17Å; E207-Y383 WeakPolarHBondContact O-CE2 3.29Å
208	D	92	Very high	91.8	Very high	47 Å²	47	48.7 Å²	48.7	25%	0.251	22%	0.223	S	C	.	.			trans	-77.4	124	179.1	-174.6	-39	0	0	0	111.5	H210 E211 F212 Y416	D208-H210 PolarHBondContact O-N 3.02Å; D208-H210 WeakPolarHBondContact OD1-CA 3.44Å; D208-H210 WeakPolarHBondContact OD1-CB 3.44Å; D208-H210 PolarHBondContact OD1-N 2.87Å; D208-E211 HydrophobicContact CB-CB 3.84Å; D208-E211 PolarHBondContact O-N 2.83Å; D208-E211 PolarHBondContact OD1-N 2.98Å; D208-E211 VanDerWaalsContact OD1-N 3.14Å; D208-F212 PolarHBondContact O-N 2.64Å; D208-Y416 PolarHBondContact OD1-OH 2.99Å; D208-Y416 PolarHBondContact OD2-OH 3.13Å; D208-Y416 VanDerWaalsContact OD2-OH 3.05Å
209	A	94.4	Very high	92	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.9	-34	179.2	0	0	0	0	0	113.7	F132 T136 L213 L371 Y383	F132-A209 HydrophobicContact CB-CB 4Å; T136-A209 PolarHBondContact OG1-O 3.04Å; A209-L213 WeakPolarHBondContact O-CB 3.04Å; A209-L213 PolarHBondContact O-N 2.77Å; A209-L371 HydrophobicContact CB-CD1 4.23Å; A209-L371 HydrophobicContact CB-CD2 3.92Å; A209-Y383 HydrophobicContact CB-CD1 3.63Å; A209-Y383 HydrophobicContact CB-CD2 4.49Å; A209-Y383 HydrophobicContact CB-CE1 3.51Å; A209-Y383 HydrophobicContact CB-CE2 4.4Å; A209-Y383 HydrophobicContact CB-CG 4.12Å
210	H	94.3	Very high	92.3	Very high	30 Å²	30	37.8 Å²	37.8	14%	0.139	18%	0.183	C	C	.	.	H	α-helix	trans	-70.9	-36.8	173.9	177.2	-127	0	0	0	111	D208 R214 D270 S327 Y416 V417	D208-H210 PolarHBondContact O-N 3.02Å; D208-H210 WeakPolarHBondContact OD1-CA 3.44Å; D208-H210 WeakPolarHBondContact OD1-CB 3.44Å; D208-H210 PolarHBondContact OD1-N 2.87Å; H210-R214 VanDerWaalsContact O-CB 3.29Å; H210-R214 WeakPolarHBondContact O-CB 3.22Å; H210-R214 PolarHBondContact O-N 2.78Å; H210-D270 IonicContact CE1-OD2 3.82Å; H210-D270 PolarHBondContact CE1-OD2 3.47Å; H210-D270 VanDerWaalsContact CE1-OD2 3.3Å; H210-D270 IonicContact NE2-OD2 2.71Å; H210-D270 PolarHBondContact NE2-OD2 3Å; H210-S327 PolarHBondContact CE1-OG 3.26Å; H210-S327 PolarHBondContact ND1-OG 2.82Å; H210-S327 WeakPolarHBondContact NE2-CB 3.4Å; H210-Y416 HydrophobicContact CB-CE1 3.84Å; H210-Y416 WeakPolarHBondContact CB-OH 3.36Å; H210-V417 HydrophobicContact CB-CG2 4.07Å
211	E	93.6	Very high	92.5	Very high	24 Å²	24	35 Å²	35	11%	0.112	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-49.3	172.2	-162.3	174.7	-112.7	0	0	110.3	H200 F201 D208 L213 R214 Y215 S1106	H200-E211 IonicContact CD2-OE2 3.39Å; H200-E211 IonicContact CE1-OE2 3.8Å; H200-E211 IonicContact NE2-OE2 2.67Å; H200-E211 PolarHBondContact NE2-OE2 2.77Å; F201-E211 HydrophobicContact CE1-CG 4.38Å; F201-E211 WeakPolarHBondContact CE1-OE2 3.48Å; F201-E211 HydrophobicContact CZ-CB 4.28Å; F201-E211 HydrophobicContact CZ-CG 4.11Å; D208-E211 HydrophobicContact CB-CB 3.84Å; D208-E211 PolarHBondContact O-N 2.83Å; D208-E211 PolarHBondContact OD1-N 2.98Å; D208-E211 VanDerWaalsContact OD1-N 3.14Å; E211-L213 PolarHBondContact O-N 3.29Å; E211-R214 PolarHBondContact O-N 3.48Å; E211-R214 VanDerWaalsContact O-N 3.15Å; E211-Y215 HydrophobicContact CG-CD2 3.81Å; E211-Y215 HydrophobicContact CG-CE2 3.66Å; E211-Y215 WeakPolarHBondContact O-CD2 3.4Å; E211-Y215 PolarHBondContact O-N 3.03Å; E211-S1106 PolarHBondContact OE1-OG 3.35Å
212	F	95.8	Very high	92.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-41	177.9	177.2	-96.2	0	0	0	113.4	F132 L133 T136 V137 F190 L194 I197 F201 D208 R214 Y215 T216	F132-F212 HydrophobicContact CD2-CB 3.71Å; F132-F212 HydrophobicContact CD2-CD1 4.43Å; F132-F212 HydrophobicContact CD2-CD2 4.47Å; F132-F212 AromaticContact CD2-CG 3.95Å; F132-F212 HydrophobicContact CD2-CG 3.95Å; F132-F212 HydrophobicContact CE2-CB 3.86Å; F132-F212 AromaticContact CE2-CD2 3.88Å; F132-F212 HydrophobicContact CE2-CD2 3.88Å; F132-F212 AromaticContact CE2-CG 3.82Å; F132-F212 HydrophobicContact CE2-CG 3.82Å; L133-F212 HydrophobicContact CB-CD1 4.32Å; L133-F212 HydrophobicContact CB-CE1 4.05Å; L133-F212 HydrophobicContact CB-CZ 4.19Å; L133-F212 HydrophobicContact CD1-CE2 4.12Å; L133-F212 HydrophobicContact CD1-CZ 3.95Å; L133-F212 HydrophobicContact CG-CE1 3.81Å; L133-F212 HydrophobicContact CG-CE2 4.2Å; L133-F212 HydrophobicContact CG-CZ 3.61Å; T136-F212 HydrophobicContact CG2-CD1 3.66Å; T136-F212 HydrophobicContact CG2-CE1 3.94Å; V137-F212 HydrophobicContact CG2-CE1 4.12Å; F190-F212 HydrophobicContact CD1-CZ 4.46Å; L194-F212 HydrophobicContact CD1-CD2 4.15Å; L194-F212 HydrophobicContact CD1-CE2 3.82Å; I197-F212 HydrophobicContact CD1-CE2 4.19Å; I197-F212 HydrophobicContact CD1-CZ 4.48Å; I197-F212 HydrophobicContact CG2-CE2 4.24Å; F201-F212 HydrophobicContact CD2-CD2 4.06Å; F201-F212 HydrophobicContact CE2-CB 3.92Å; F201-F212 AromaticContact CE2-CD2 3.67Å; F201-F212 HydrophobicContact CE2-CD2 3.67Å; F201-F212 HydrophobicContact CE2-CG 4.28Å; F201-F212 HydrophobicContact CZ-CB 3.92Å; F201-F212 HydrophobicContact CZ-CD2 4.49Å; D208-F212 PolarHBondContact O-N 2.64Å; F212-R214 VanDerWaalsContact C-N 3.33Å; F212-R214 PolarHBondContact O-N 3.2Å; F212-Y215 PolarHBondContact O-N 2.94Å; F212-T216 WeakPolarHBondContact CZ-OG1 3.25Å; F212-T216 VanDerWaalsContact O-CB 3.24Å; F212-T216 WeakPolarHBondContact O-CB 3.48Å; F212-T216 PolarHBondContact O-N 2.98Å; F212-T216 PolarHBondContact O-OG1 2.65Å
213	L	96.3	Very high	92.8	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-55.4	-49.4	171	173	65.9	0	0	0	110.9	T136 L140 A209 E211 T216 I217 T325 V417 F419	T136-L213 HydrophobicContact CG2-CB 3.63Å; T136-L213 HydrophobicContact CG2-CD1 3.82Å; T136-L213 HydrophobicContact CG2-CG 4.32Å; L140-L213 HydrophobicContact CD1-CD1 4.11Å; L140-L213 HydrophobicContact CD2-CD1 3.93Å; L140-L213 HydrophobicContact CG-CD1 4.07Å; A209-L213 WeakPolarHBondContact O-CB 3.04Å; A209-L213 PolarHBondContact O-N 2.77Å; E211-L213 PolarHBondContact O-N 3.29Å; L213-T216 WeakPolarHBondContact O-CB 3.09Å; L213-T216 PolarHBondContact O-N 2.96Å; L213-I217 HydrophobicContact CD1-CD1 3.8Å; L213-I217 HydrophobicContact CD1-CG1 4.3Å; L213-I217 HydrophobicContact CG-CD1 4.15Å; L213-I217 WeakPolarHBondContact O-CG1 3.47Å; L213-I217 PolarHBondContact O-N 3.43Å; L213-T325 HydrophobicContact CD2-CG2 4Å; L213-V417 HydrophobicContact CD2-CG1 4.08Å; L213-F419 HydrophobicContact CD1-CE1 4.1Å; L213-F419 HydrophobicContact CD1-CZ 4.04Å; L213-F419 HydrophobicContact CD2-CE1 4.01Å; L213-F419 HydrophobicContact CD2-CZ 3.64Å
214	R	94.7	Very high	92.8	Very high	44 Å²	44	28.4 Å²	28.4	17%	0.166	15%	0.151	C	C	.	.	H	α-helix	trans	-67.1	-42.1	-176.8	-175.6	166.1	171.8	63.7	45.7	112.2	H210 E211 F212 T216 I217 D218 D270	H210-R214 VanDerWaalsContact O-CB 3.29Å; H210-R214 WeakPolarHBondContact O-CB 3.22Å; H210-R214 PolarHBondContact O-N 2.78Å; E211-R214 PolarHBondContact O-N 3.48Å; E211-R214 VanDerWaalsContact O-N 3.15Å; F212-R214 VanDerWaalsContact C-N 3.33Å; F212-R214 PolarHBondContact O-N 3.2Å; R214-T216 VanDerWaalsContact C-N 3.34Å; R214-I217 PolarHBondContact O-N 2.9Å; R214-D218 IonicContact CZ-OD1 2.74Å; R214-D218 IonicContact CZ-OD2 3.74Å; R214-D218 IonicContact NE-OD2 2.98Å; R214-D218 IonicContact NH2-OD1 3.14Å; R214-D218 PolarHBondContact NH2-OD1 3.06Å; R214-D218 IonicContact NH2-OD2 3.15Å; R214-D218 PolarHBondContact NH2-OD2 3.34Å; R214-D218 WeakPolarHBondContact O-CB 3.23Å; R214-D218 PolarHBondContact O-N 2.82Å; R214-D270 IonicContact CZ-OD1 3.84Å; R214-D270 IonicContact NH1-OD1 2.8Å; R214-D270 PolarHBondContact NH1-OD1 3.24Å
215	Y	96	Very high	92.9	Very high	29 Å²	29	28.3 Å²	28.3	11%	0.114	14%	0.142	C	C	.	.	H	α-helix	trans	-65.7	-35.8	173.5	-86.1	-86.7	0	0	0	112.5	I197 A198 H200 F201 E211 F212 A219 F1108	I197-Y215 VanDerWaalsContact O-CD1 3.31Å; I197-Y215 WeakPolarHBondContact O-CD1 3.3Å; A198-Y215 HydrophobicContact CB-CD1 3.42Å; A198-Y215 VanDerWaalsContact CB-CD1 3.42Å; A198-Y215 HydrophobicContact CB-CD2 3.96Å; A198-Y215 HydrophobicContact CB-CE1 3.51Å; A198-Y215 HydrophobicContact CB-CE2 4.08Å; A198-Y215 HydrophobicContact CB-CG 3.61Å; H200-Y215 AromaticContact CE1-CE2 3.51Å; H200-Y215 AromaticContact CE1-CZ 3.58Å; H200-Y215 PolarHBondContact CE1-OH 3.29Å; H200-Y215 PolarHBondContact ND1-OH 3.23Å; F201-Y215 HydrophobicContact CE2-CD2 4.33Å; F201-Y215 HydrophobicContact CZ-CD2 4.18Å; E211-Y215 HydrophobicContact CG-CD2 3.81Å; E211-Y215 HydrophobicContact CG-CE2 3.66Å; E211-Y215 WeakPolarHBondContact O-CD2 3.4Å; E211-Y215 PolarHBondContact O-N 3.03Å; F212-Y215 PolarHBondContact O-N 2.94Å; Y215-A219 WeakPolarHBondContact O-CB 3.36Å; Y215-A219 PolarHBondContact O-N 2.76Å; Y215-F1108 AromaticContact CE1-CE2 3.95Å; Y215-F1108 HydrophobicContact CE1-CE2 3.95Å; Y215-F1108 HydrophobicContact CE1-CZ 4.08Å; Y215-F1108 HydrophobicContact CE2-CD1 4.45Å; Y215-F1108 AromaticContact CE2-CD2 3.78Å; Y215-F1108 HydrophobicContact CE2-CD2 3.78Å; Y215-F1108 HydrophobicContact CE2-CE1 4.38Å; Y215-F1108 AromaticContact CE2-CE2 3.75Å; Y215-F1108 HydrophobicContact CE2-CE2 3.75Å; Y215-F1108 HydrophobicContact CE2-CG 4.17Å; Y215-F1108 HydrophobicContact CE2-CZ 4.05Å; Y215-F1108 AromaticContact CZ-CD2 3.7Å; Y215-F1108 AromaticContact CZ-CE2 3.29Å; Y215-F1108 AromaticContact CZ-CZ 3.76Å; Y215-F1108 VanDerWaalsContact OH-CD2 3.3Å; Y215-F1108 WeakPolarHBondContact OH-CD2 3.35Å; Y215-F1108 WeakPolarHBondContact OH-CE2 3.4Å
216	T	96.2	Very high	92.7	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-47.7	174.7	-72.9	0	0	0	0	111.7	L140 M166 F212 L213 R214 A219 M220	L140-T216 HydrophobicContact CD1-CG2 3.5Å; M166-T216 HydrophobicContact CE-CG2 3.55Å; F212-T216 WeakPolarHBondContact CZ-OG1 3.25Å; F212-T216 VanDerWaalsContact O-CB 3.24Å; F212-T216 WeakPolarHBondContact O-CB 3.48Å; F212-T216 PolarHBondContact O-N 2.98Å; F212-T216 PolarHBondContact O-OG1 2.65Å; L213-T216 WeakPolarHBondContact O-CB 3.09Å; L213-T216 PolarHBondContact O-N 2.96Å; R214-T216 VanDerWaalsContact C-N 3.34Å; T216-A219 PolarHBondContact O-N 3.07Å; T216-M220 HydrophobicContact CG2-CE 4.13Å; T216-M220 PolarHBondContact O-N 3.24Å
217	I	95.7	Very high	92	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-44.8	176.3	-65.9	176.3	0	0	0	110.6	L140 L213 R214 A219 M220 Q221 V241 F245 L269	L140-I217 HydrophobicContact CD2-CD1 4.45Å; L140-I217 HydrophobicContact CD2-CG1 4.45Å; L213-I217 HydrophobicContact CD1-CD1 3.8Å; L213-I217 HydrophobicContact CD1-CG1 4.3Å; L213-I217 HydrophobicContact CG-CD1 4.15Å; L213-I217 WeakPolarHBondContact O-CG1 3.47Å; L213-I217 PolarHBondContact O-N 3.43Å; R214-I217 PolarHBondContact O-N 2.9Å; I217-A219 PolarHBondContact O-N 2.92Å; I217-M220 HydrophobicContact CG1-CE 4.07Å; I217-M220 PolarHBondContact O-N 2.87Å; I217-Q221 WeakPolarHBondContact O-CB 3.2Å; I217-Q221 PolarHBondContact O-N 3.19Å; I217-V241 HydrophobicContact CG2-CG1 3.52Å; I217-F245 HydrophobicContact CD1-CD1 4.26Å; I217-F245 HydrophobicContact CD1-CD2 4.36Å; I217-F245 HydrophobicContact CD1-CE1 4.34Å; I217-F245 HydrophobicContact CD1-CE2 4.45Å; I217-F245 HydrophobicContact CD1-CG 4.26Å; I217-F245 HydrophobicContact CD1-CZ 4.44Å; I217-F245 HydrophobicContact CG2-CD2 4.48Å; I217-L269 HydrophobicContact CG2-CB 4.5Å; I217-L269 HydrophobicContact CG2-CD1 3.97Å; I217-L269 HydrophobicContact CG2-CD2 4.3Å; I217-L269 HydrophobicContact CG2-CG 4.5Å
218	D	93.5	Very high	91.4	Very high	31 Å²	31	32.7 Å²	32.7	17%	0.166	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-25.3	175.9	-78	-16.9	0	0	0	112.1	R214 K222	R214-D218 IonicContact CZ-OD1 2.74Å; R214-D218 IonicContact CZ-OD2 3.74Å; R214-D218 IonicContact NE-OD2 2.98Å; R214-D218 IonicContact NH2-OD1 3.14Å; R214-D218 PolarHBondContact NH2-OD1 3.06Å; R214-D218 IonicContact NH2-OD2 3.15Å; R214-D218 PolarHBondContact NH2-OD2 3.34Å; R214-D218 WeakPolarHBondContact O-CB 3.23Å; R214-D218 PolarHBondContact O-N 2.82Å; D218-K222 VanDerWaalsContact O-CD 3.31Å; D218-K222 WeakPolarHBondContact O-CD 3.36Å; D218-K222 WeakPolarHBondContact O-CE 3.43Å; D218-K222 VanDerWaalsContact O-CG 3.23Å; D218-K222 WeakPolarHBondContact O-CG 3.39Å; D218-K222 PolarHBondContact O-N 3.39Å
219	A	94.3	Very high	90.4	Very high	7 Å²	7	36.7 Å²	36.7	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-78.8	-40.3	173.4	0	0	0	0	0	112.7	M166 Y215 T216 I217 Q221 K222 A223	M166-A219 HydrophobicContact CB-CB 3.89Å; M166-A219 HydrophobicContact CG-CB 3.86Å; Y215-A219 WeakPolarHBondContact O-CB 3.36Å; Y215-A219 PolarHBondContact O-N 2.76Å; T216-A219 PolarHBondContact O-N 3.07Å; I217-A219 PolarHBondContact O-N 2.92Å; A219-Q221 VanDerWaalsContact C-N 3.31Å; A219-K222 PolarHBondContact O-N 3.33Å; A219-A223 PolarHBondContact O-N 3.48Å; A219-A223 VanDerWaalsContact O-N 3.14Å
220	M	94.6	Very high	89.6	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-39.2	169.4	-68.7	-171.6	-68.7	0	0	111.3	L140 L146 M166 I167 M170 T216 I217 K222 A223 C224 V241	L140-M220 HydrophobicContact CD1-CE 4.48Å; L146-M220 HydrophobicContact CD2-CE 4.41Å; M166-M220 HydrophobicContact CB-CG 4.13Å; M166-M220 HydrophobicContact CG-CG 3.73Å; I167-M220 HydrophobicContact CG1-CB 3.98Å; I167-M220 HydrophobicContact CG1-CG 4.07Å; M170-M220 HydrophobicContact CB-SD 4.39Å; M170-M220 HydrophobicContact CG-SD 4.41Å; T216-M220 HydrophobicContact CG2-CE 4.13Å; T216-M220 PolarHBondContact O-N 3.24Å; I217-M220 HydrophobicContact CG1-CE 4.07Å; I217-M220 PolarHBondContact O-N 2.87Å; M220-K222 PolarHBondContact O-N 3.47Å; M220-A223 WeakPolarHBondContact O-CB 3.39Å; M220-A223 PolarHBondContact O-N 3.5Å; M220-C224 PolarHBondContact O-N 3.24Å; M220-C224 PolarHBondContact O-SG 3.02Å; M220-V241 HydrophobicContact CB-CG2 3.71Å
221	Q	92.6	Very high	89	Confident	16 Å²	16	46.5 Å²	46.5	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-43.8	174.6	174	62.5	10.3	0	0	112	I217 A219 A223 C224 L225 Q236 T239 V241 H242	I217-Q221 WeakPolarHBondContact O-CB 3.2Å; I217-Q221 PolarHBondContact O-N 3.19Å; A219-Q221 VanDerWaalsContact C-N 3.31Å; Q221-A223 VanDerWaalsContact C-N 3.33Å; Q221-A223 PolarHBondContact O-N 2.98Å; Q221-C224 WeakPolarHBondContact O-CB 3.33Å; Q221-C224 PolarHBondContact O-N 3.34Å; Q221-L225 HydrophobicContact CG-CD1 4.38Å; Q221-L225 WeakPolarHBondContact O-CG 3.42Å; Q221-L225 PolarHBondContact O-N 2.94Å; Q221-Q236 PolarHBondContact NE2-O 2.88Å; Q221-T239 PolarHBondContact OE1-OG1 3.31Å; Q221-V241 HydrophobicContact CB-CG1 4.27Å; Q221-H242 VanDerWaalsContact CD-ND1 3.27Å; Q221-H242 PolarHBondContact NE2-CE1 2.93Å; Q221-H242 VanDerWaalsContact NE2-CE1 3.32Å; Q221-H242 PolarHBondContact NE2-ND1 2.89Å; Q221-H242 PolarHBondContact OE1-ND1 2.89Å
222	K	90.8	Very high	88.6	Confident	125 Å²	125	47.2 Å²	47.2	54%	0.543	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-39.5	176.7	-70.6	158.7	-162.1	156.5	0	111.9	D218 A219 M220 L225 N226	D218-K222 VanDerWaalsContact O-CD 3.31Å; D218-K222 WeakPolarHBondContact O-CD 3.36Å; D218-K222 WeakPolarHBondContact O-CE 3.43Å; D218-K222 VanDerWaalsContact O-CG 3.23Å; D218-K222 WeakPolarHBondContact O-CG 3.39Å; D218-K222 PolarHBondContact O-N 3.39Å; A219-K222 PolarHBondContact O-N 3.33Å; M220-K222 PolarHBondContact O-N 3.47Å; K222-L225 CarbonylContact O-C 3.55Å; K222-L225 PolarHBondContact O-N 3.18Å; K222-L225 VanDerWaalsContact O-N 3.14Å; K222-N226 PolarHBondContact O-N 3.32Å; K222-N226 VanDerWaalsContact O-N 3.13Å
223	A	91.3	Very high	88	Confident	11 Å²	11	52.6 Å²	52.6	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-39.2	174.5	0	0	0	0	0	112.5	C165 I167 A219 M220 Q221 L225 N226	C165-A223 VanDerWaalsContact SG-CB 3.59Å; I167-A223 HydrophobicContact CD1-CB 3.64Å; I167-A223 HydrophobicContact CG1-CB 3.78Å; A219-A223 PolarHBondContact O-N 3.48Å; A219-A223 VanDerWaalsContact O-N 3.14Å; M220-A223 WeakPolarHBondContact O-CB 3.39Å; M220-A223 PolarHBondContact O-N 3.5Å; Q221-A223 VanDerWaalsContact C-N 3.33Å; Q221-A223 PolarHBondContact O-N 2.98Å; A223-L225 PolarHBondContact O-N 3.32Å; A223-N226 PolarHBondContact O-N 3.32Å
224	C	89.4	Confident	87.3	Confident	29 Å²	29	54.1 Å²	54.1	20%	0.196	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-22.1	171.9	-67.9	0	0	0	0	114.3	I167 M220 Q221 T239	I167-C224 VanDerWaalsContact CD1-SG 3.52Å; M220-C224 PolarHBondContact O-N 3.24Å; M220-C224 PolarHBondContact O-SG 3.02Å; Q221-C224 WeakPolarHBondContact O-CB 3.33Å; Q221-C224 PolarHBondContact O-N 3.34Å; C224-T239 HydrophobicContact CB-CG2 3.55Å
225	L	87.6	Confident	86.9	Confident	34 Å²	34	52.1 Å²	52.1	18%	0.178	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-0.1	-179.8	-63.2	178.6	0	0	0	113.2	L104 Q221 K222 A223 G227 Y228 L231 Q236 T239	L104-L225 HydrophobicContact CD1-CD2 3.69Å; Q221-L225 HydrophobicContact CG-CD1 4.38Å; Q221-L225 WeakPolarHBondContact O-CG 3.42Å; Q221-L225 PolarHBondContact O-N 2.94Å; K222-L225 CarbonylContact O-C 3.55Å; K222-L225 PolarHBondContact O-N 3.18Å; K222-L225 VanDerWaalsContact O-N 3.14Å; A223-L225 PolarHBondContact O-N 3.32Å; L225-G227 PolarHBondContact O-N 2.97Å; L225-Y228 PolarHBondContact O-N 2.93Å; L225-Y228 VanDerWaalsContact O-N 3.09Å; L225-L231 HydrophobicContact CD2-CD1 3.94Å; L225-Q236 HydrophobicContact CD1-CB 4.37Å; L225-Q236 HydrophobicContact CD1-CG 4.07Å; L225-Q236 HydrophobicContact CD2-CB 4.34Å; L225-Q236 HydrophobicContact CD2-CG 4.1Å; L225-T239 HydrophobicContact CD2-CG2 3.55Å; L225-T239 HydrophobicContact CG-CG2 4.1Å
226	N	83.6	Confident	86.3	Confident	82 Å²	82	54.2 Å²	54.2	44%	0.439	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	139.5	179.7	-169.8	43.9	0	0	0	110.9	Q161 K222 A223 Y228	Q161-N226 WeakPolarHBondContact CB-ND2 3.27Å; K222-N226 PolarHBondContact O-N 3.32Å; K222-N226 VanDerWaalsContact O-N 3.13Å; A223-N226 PolarHBondContact O-N 3.32Å; N226-Y228 VanDerWaalsContact C-N 3.31Å
227	G	74.8	Confident	85.7	Confident	65 Å²	65	54.8 Å²	54.8	67%	0.67	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-6	-171.5	0	0	0	0	0	115.6	L225 P229	L225-G227 PolarHBondContact O-N 2.97Å; G227-P229 WeakPolarHBondContact O-CD 3.05Å
228	Y	79	Confident	85.4	Confident	102 Å²	102	55 Å²	55	40%	0.4	29%	0.288	S	S	.	.			trans	-116.6	84.6	179.7	-66.7	-76.5	0	0	0	112.7	K102 L104 L225 N226 K230 L231	K102-Y228 PolarHBondContact NZ-OH 2.58Å; L104-Y228 HydrophobicContact CD2-CD2 4.48Å; L104-Y228 HydrophobicContact CD2-CE1 4.46Å; L104-Y228 HydrophobicContact CD2-CE2 4.08Å; L225-Y228 PolarHBondContact O-N 2.93Å; L225-Y228 VanDerWaalsContact O-N 3.09Å; N226-Y228 VanDerWaalsContact C-N 3.31Å; Y228-K230 VanDerWaalsContact C-N 3.34Å; Y228-K230 PolarHBondContact O-N 3.33Å; Y228-L231 VanDerWaalsContact CB-CD1 3.43Å; Y228-L231 HydrophobicContact CD1-CD1 4.36Å; Y228-L231 HydrophobicContact CD1-CD2 4.18Å; Y228-L231 HydrophobicContact CG-CD1 3.9Å; Y228-L231 HydrophobicContact CG-CG 4.42Å
229	P	70	Confident	85.3	Confident	130 Å²	130	53.6 Å²	53.6	84%	0.844	28%	0.281	S	S	*	.	S	Bend	trans	-73.7	-18	-170	29.2	-36.6	0	0	0	115	G227	G227-P229 WeakPolarHBondContact O-CD 3.05Å
230	K	78.2	Confident	85.3	Confident	194 Å²	194	53.6 Å²	53.6	84%	0.843	28%	0.28	S	S	*	.	S	Bend	trans	-142.4	105	178.8	-66.9	179.3	-175.7	170.5	0	109.6	Y228	Y228-K230 VanDerWaalsContact C-N 3.34Å; Y228-K230 PolarHBondContact O-N 3.33Å
231	L	81.8	Confident	85.3	Confident	42 Å²	42	53.7 Å²	53.7	22%	0.22	28%	0.28	C	S	.	.			trans	-132.6	146.6	173	-66.5	175.6	0	0	0	109.4	L104 L225 Y228 T235 Q236	L104-L231 HydrophobicContact CD1-CD1 3.93Å; L104-L231 HydrophobicContact CD2-CD1 4.49Å; L225-L231 HydrophobicContact CD2-CD1 3.94Å; Y228-L231 VanDerWaalsContact CB-CD1 3.43Å; Y228-L231 HydrophobicContact CD1-CD1 4.36Å; Y228-L231 HydrophobicContact CD1-CD2 4.18Å; Y228-L231 HydrophobicContact CG-CD1 3.9Å; Y228-L231 HydrophobicContact CG-CG 4.42Å; L231-T235 HydrophobicContact CB-CG2 4.4Å; L231-T235 HydrophobicContact CD1-CG2 4.12Å; L231-T235 HydrophobicContact CD2-CG2 3.88Å; L231-T235 HydrophobicContact CG-CG2 4.36Å; L231-Q236 HydrophobicContact CB-CG 3.79Å; L231-Q236 HydrophobicContact CD1-CG 4.42Å; L231-Q236 PolarHBondContact O-NE2 2.88Å
232	D	84.8	Confident	85.3	Confident	40 Å²	40	54.2 Å²	54.2	21%	0.214	28%	0.283	C	S	.	.			trans	-66.8	160.1	170.8	66.9	-78.8	0	0	0	111.9	Q234 T235 Q236	D232-Q234 PolarHBondContact O-N 3.09Å; D232-Q234 VanDerWaalsContact O-N 3.16Å; D232-Q234 WeakPolarHBondContact OD2-CA 3.36Å; D232-Q234 VanDerWaalsContact OD2-CB 3.29Å; D232-Q234 WeakPolarHBondContact OD2-CB 3.2Å; D232-Q234 PolarHBondContact OD2-N 3.27Å; D232-T235 PolarHBondContact O-N 2.98Å; D232-T235 WeakPolarHBondContact OD1-CB 3.49Å; D232-T235 PolarHBondContact OD1-OG1 3.12Å; D232-T235 PolarHBondContact OD2-N 3.32Å; D232-T235 PolarHBondContact OD2-OG1 3.12Å; D232-Q236 WeakPolarHBondContact O-CG 3.23Å; D232-Q236 PolarHBondContact O-N 3.35Å
233	R	82.5	Confident	85.4	Confident	113 Å²	113	50.1 Å²	50.1	43%	0.426	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.9	-175.1	-167.9	-178.3	71.4	147.3	7	112.5	A237 Y265 D266	R233-A237 PolarHBondContact O-N 3.03Å; R233-Y265 PolarHBondContact NH1-O 2.97Å; R233-Y265 PolarHBondContact NH2-O 2.76Å; R233-D266 IonicContact NH1-OD1 2.76Å
234	Q	82.7	Confident	85.6	Confident	35 Å²	35	49.7 Å²	49.7	16%	0.164	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-46.5	-177	-67.8	82.6	-35.2	0	0	110.2	P98 P100 D232 Q236 A237 T238	P98-Q234 HydrophobicContact CB-CG 4.49Å; P98-Q234 WeakPolarHBondContact O-CG 3.44Å; P100-Q234 HydrophobicContact CB-CB 4.13Å; D232-Q234 PolarHBondContact O-N 3.09Å; D232-Q234 VanDerWaalsContact O-N 3.16Å; D232-Q234 WeakPolarHBondContact OD2-CA 3.36Å; D232-Q234 VanDerWaalsContact OD2-CB 3.29Å; D232-Q234 WeakPolarHBondContact OD2-CB 3.2Å; D232-Q234 PolarHBondContact OD2-N 3.27Å; Q234-Q236 VanDerWaalsContact C-N 3.31Å; Q234-Q236 PolarHBondContact O-N 3.5Å; Q234-A237 CarbonylContact O-C 3.48Å; Q234-A237 WeakPolarHBondContact O-CA 3.47Å; Q234-A237 WeakPolarHBondContact O-CB 3.33Å; Q234-A237 PolarHBondContact O-N 3.17Å; Q234-T238 PolarHBondContact O-N 2.79Å
235	T	85.3	Confident	86	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-58	-41.7	169.9	-62.4	0	0	0	0	111.5	Q101 K102 L104 L231 D232 A237 T238	Q101-T235 PolarHBondContact N-OG1 2.76Å; Q101-T235 VanDerWaalsContact N-OG1 3.16Å; K102-T235 HydrophobicContact CB-CG2 3.92Å; K102-T235 PolarHBondContact N-OG1 2.91Å; K102-T235 VanDerWaalsContact N-OG1 3.11Å; K102-T235 WeakPolarHBondContact O-CG2 3.48Å; K102-T235 PolarHBondContact O-OG1 2.74Å; L104-T235 HydrophobicContact CD1-CG2 4.18Å; L104-T235 HydrophobicContact CD2-CG2 4.18Å; L104-T235 HydrophobicContact CG-CG2 3.94Å; L231-T235 HydrophobicContact CB-CG2 4.4Å; L231-T235 HydrophobicContact CD1-CG2 4.12Å; L231-T235 HydrophobicContact CD2-CG2 3.88Å; L231-T235 HydrophobicContact CG-CG2 4.36Å; D232-T235 PolarHBondContact O-N 2.98Å; D232-T235 WeakPolarHBondContact OD1-CB 3.49Å; D232-T235 PolarHBondContact OD1-OG1 3.12Å; D232-T235 PolarHBondContact OD2-N 3.32Å; D232-T235 PolarHBondContact OD2-OG1 3.12Å; T235-A237 PolarHBondContact O-N 3.19Å; T235-T238 PolarHBondContact O-N 3.46Å; T235-T238 PolarHBondContact O-OG1 3.04Å
236	Q	84.3	Confident	86.3	Confident	73 Å²	73	47.3 Å²	47.3	34%	0.341	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-59.4	-26.4	173.8	-71.7	-178.3	38.5	0	0	113.6	Q221 L225 L231 D232 Q234 T238 T239	Q221-Q236 PolarHBondContact NE2-O 2.88Å; L225-Q236 HydrophobicContact CD1-CB 4.37Å; L225-Q236 HydrophobicContact CD1-CG 4.07Å; L225-Q236 HydrophobicContact CD2-CB 4.34Å; L225-Q236 HydrophobicContact CD2-CG 4.1Å; L231-Q236 HydrophobicContact CB-CG 3.79Å; L231-Q236 HydrophobicContact CD1-CG 4.42Å; L231-Q236 PolarHBondContact O-NE2 2.88Å; D232-Q236 WeakPolarHBondContact O-CG 3.23Å; D232-Q236 PolarHBondContact O-N 3.35Å; Q234-Q236 VanDerWaalsContact C-N 3.31Å; Q234-Q236 PolarHBondContact O-N 3.5Å; Q236-T238 VanDerWaalsContact C-N 3.31Å; Q236-T239 WeakPolarHBondContact O-CG2 3.36Å
237	A	83.9	Confident	86.8	Confident	13 Å²	13	43.6 Å²	43.6	11%	0.107	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-88.7	12.2	175.8	0	0	0	0	0	113.7	R233 Q234 T235 H242 Y248	R233-A237 PolarHBondContact O-N 3.03Å; Q234-A237 CarbonylContact O-C 3.48Å; Q234-A237 WeakPolarHBondContact O-CA 3.47Å; Q234-A237 WeakPolarHBondContact O-CB 3.33Å; Q234-A237 PolarHBondContact O-N 3.17Å; T235-A237 PolarHBondContact O-N 3.19Å; A237-H242 HydrophobicContact CB-CB 4.5Å; A237-H242 WeakPolarHBondContact O-CB 3.5Å; A237-Y248 VanDerWaalsContact CB-OH 3.3Å; A237-Y248 WeakPolarHBondContact CB-OH 3.23Å
238	T	87.8	Confident	87.7	Confident	9 Å²	9	41.4 Å²	41.4	6%	0.055	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-106.3	9.7	172.4	68.5	0	0	0	0	113.7	P100 K102 M103 L104 F105 Q234 T235 Q236	P100-T238 HydrophobicContact CB-CG2 3.67Å; P100-T238 HydrophobicContact CG-CG2 3.72Å; K102-T238 PolarHBondContact O-OG1 3.43Å; M103-T238 HydrophobicContact CG-CG2 4.46Å; L104-T238 PolarHBondContact N-OG1 3.07Å; F105-T238 WeakPolarHBondContact CA-O 3.27Å; F105-T238 WeakPolarHBondContact CB-O 3.47Å; F105-T238 PolarHBondContact N-O 2.86Å; F105-T238 VanDerWaalsContact O-O 3.09Å; Q234-T238 PolarHBondContact O-N 2.79Å; T235-T238 PolarHBondContact O-N 3.46Å; T235-T238 PolarHBondContact O-OG1 3.04Å; Q236-T238 VanDerWaalsContact C-N 3.31Å
239	T	92.4	Very high	88.5	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.012	19%	0.19	C	C	.	.	S	Bend	trans	-67.6	159.8	173.8	56.3	0	0	0	0	111.8	L104 Q221 C224 L225 Q236 V241 H242 Q243	L104-T239 HydrophobicContact CD1-CG2 3.76Å; Q221-T239 PolarHBondContact OE1-OG1 3.31Å; C224-T239 HydrophobicContact CB-CG2 3.55Å; L225-T239 HydrophobicContact CD2-CG2 3.55Å; L225-T239 HydrophobicContact CG-CG2 4.1Å; Q236-T239 WeakPolarHBondContact O-CG2 3.36Å; T239-V241 PolarHBondContact O-N 2.86Å; T239-H242 PolarHBondContact O-N 2.78Å; T239-H242 PolarHBondContact OG1-N 2.88Å; T239-H242 PolarHBondContact OG1-ND1 2.9Å; T239-Q243 WeakPolarHBondContact O-CG 3.46Å; T239-Q243 PolarHBondContact O-N 2.97Å
240	L	93.2	Very high	89.7	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.042	16%	0.158	C	C	.	.	H	α-helix	trans	-44.6	-48.7	170.7	176.1	78.5	0	0	0	112.3	F105 Y149 H242 Q243 I244	F105-L240 HydrophobicContact CB-CB 4.45Å; F105-L240 HydrophobicContact CD1-CD1 4.22Å; F105-L240 HydrophobicContact CD2-CB 4.21Å; F105-L240 HydrophobicContact CD2-CD1 4.2Å; F105-L240 HydrophobicContact CE1-CD1 3.9Å; F105-L240 HydrophobicContact CE2-CD1 3.87Å; F105-L240 HydrophobicContact CG-CB 4.18Å; F105-L240 HydrophobicContact CG-CD1 4.36Å; F105-L240 HydrophobicContact CZ-CD1 3.71Å; Y149-L240 HydrophobicContact CD1-CD1 4.1Å; Y149-L240 HydrophobicContact CD1-CD2 3.31Å; Y149-L240 HydrophobicContact CD1-CG 4.35Å; Y149-L240 HydrophobicContact CD2-CD1 4.26Å; Y149-L240 HydrophobicContact CE1-CD2 3.38Å; Y149-L240 HydrophobicContact CG-CD1 3.95Å; Y149-L240 HydrophobicContact CG-CD2 4.04Å; L240-H242 VanDerWaalsContact C-N 3.33Å; L240-H242 PolarHBondContact O-N 3.12Å; L240-Q243 PolarHBondContact O-N 2.78Å; L240-Q243 VanDerWaalsContact O-N 3.16Å; L240-I244 HydrophobicContact CD1-CD1 3.99Å; L240-I244 HydrophobicContact CG-CD1 3.92Å; L240-I244 WeakPolarHBondContact O-CG1 3.5Å; L240-I244 PolarHBondContact O-N 3.47Å
241	V	94.7	Very high	90.5	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.018	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-39.3	-178.1	173.8	0	0	0	0	112	I217 M220 Q221 T239 F245 L269	I217-V241 HydrophobicContact CG2-CG1 3.52Å; M220-V241 HydrophobicContact CB-CG2 3.71Å; Q221-V241 HydrophobicContact CB-CG1 4.27Å; T239-V241 PolarHBondContact O-N 2.86Å; V241-F245 HydrophobicContact CG1-CD2 4.36Å; V241-F245 PolarHBondContact O-N 3.08Å; V241-L269 HydrophobicContact CG1-CD2 4.24Å
242	H	93	Very high	91.2	Very high	27 Å²	27	27.6 Å²	27.6	13%	0.125	13%	0.128	C	C	.	.	H	α-helix	trans	-77.8	-28.2	174.7	-79.2	76.1	0	0	0	113.3	Q221 A237 T239 L240 I244 G246	Q221-H242 VanDerWaalsContact CD-ND1 3.27Å; Q221-H242 PolarHBondContact NE2-CE1 2.93Å; Q221-H242 VanDerWaalsContact NE2-CE1 3.32Å; Q221-H242 PolarHBondContact NE2-ND1 2.89Å; Q221-H242 PolarHBondContact OE1-ND1 2.89Å; A237-H242 HydrophobicContact CB-CB 4.5Å; A237-H242 WeakPolarHBondContact O-CB 3.5Å; T239-H242 PolarHBondContact O-N 2.78Å; T239-H242 PolarHBondContact OG1-N 2.88Å; T239-H242 PolarHBondContact OG1-ND1 2.9Å; L240-H242 VanDerWaalsContact C-N 3.33Å; L240-H242 PolarHBondContact O-N 3.12Å; H242-I244 VanDerWaalsContact C-N 3.27Å; H242-I244 PolarHBondContact O-N 2.88Å; H242-G246 CarbonylContact O-C 3.54Å; H242-G246 WeakPolarHBondContact O-CA 3.38Å; H242-G246 PolarHBondContact O-N 3.43Å
243	Q	93.4	Very high	91.7	Very high	40 Å²	40	26.2 Å²	26.2	19%	0.187	12%	0.12	C	C	.	.	H	α-helix	trans	-69.8	-26.7	171.9	-62.1	-72.4	10.2	0	0	112	F105 L110 T239 L240 N322	F105-Q243 HydrophobicContact CB-CG 4.49Å; F105-Q243 HydrophobicContact CD1-CB 4.47Å; F105-Q243 HydrophobicContact CD1-CG 4.22Å; F105-Q243 PolarHBondContact O-NE2 2.98Å; L110-Q243 VanDerWaalsContact CD1-C 3.46Å; L110-Q243 HydrophobicContact CD1-CB 3.6Å; L110-Q243 VanDerWaalsContact CD1-O 3.29Å; L110-Q243 WeakPolarHBondContact CD1-O 3.44Å; T239-Q243 WeakPolarHBondContact O-CG 3.46Å; T239-Q243 PolarHBondContact O-N 2.97Å; L240-Q243 PolarHBondContact O-N 2.78Å; L240-Q243 VanDerWaalsContact O-N 3.16Å; Q243-N322 PolarHBondContact O-ND2 3.34Å
244	I	95.8	Very high	92.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-84.3	-71	173.1	-62	169.8	0	0	0	110.5	L110 T143 P145 L146 L240 H242 N322 V323	L110-I244 HydrophobicContact CD1-CG1 3.68Å; L110-I244 HydrophobicContact CG-CG1 4.42Å; T143-I244 HydrophobicContact CG2-CG2 4.25Å; P145-I244 HydrophobicContact CB-CD1 4.48Å; P145-I244 HydrophobicContact CB-CG1 4.25Å; P145-I244 HydrophobicContact CG-CG1 4.29Å; P145-I244 HydrophobicContact CG-CG2 4.11Å; L146-I244 HydrophobicContact CB-CD1 4.01Å; L146-I244 HydrophobicContact CD1-CD1 4.14Å; L240-I244 HydrophobicContact CD1-CD1 3.99Å; L240-I244 HydrophobicContact CG-CD1 3.92Å; L240-I244 WeakPolarHBondContact O-CG1 3.5Å; L240-I244 PolarHBondContact O-N 3.47Å; H242-I244 VanDerWaalsContact C-N 3.27Å; H242-I244 PolarHBondContact O-N 2.88Å; I244-N322 PolarHBondContact O-N 3.4Å; I244-N322 VanDerWaalsContact O-N 3.15Å; I244-V323 HydrophobicContact CG2-CB 3.97Å; I244-V323 HydrophobicContact CG2-CG2 3.61Å; I244-V323 PolarHBondContact O-N 3Å
245	F	96.6	Very high	93	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-94.2	-13.3	-169.5	-57.6	-81.2	0	0	0	113.9	L140 T143 L146 I217 V241 L269 S321 V323	L140-F245 HydrophobicContact CD2-CE1 4.27Å; L140-F245 HydrophobicContact CD2-CE2 4.47Å; L140-F245 HydrophobicContact CD2-CZ 3.69Å; T143-F245 HydrophobicContact CG2-CE1 4.31Å; T143-F245 HydrophobicContact CG2-CZ 4.02Å; L146-F245 HydrophobicContact CD2-CE2 4.39Å; L146-F245 HydrophobicContact CD2-CZ 4.35Å; I217-F245 HydrophobicContact CD1-CD1 4.26Å; I217-F245 HydrophobicContact CD1-CD2 4.36Å; I217-F245 HydrophobicContact CD1-CE1 4.34Å; I217-F245 HydrophobicContact CD1-CE2 4.45Å; I217-F245 HydrophobicContact CD1-CG 4.26Å; I217-F245 HydrophobicContact CD1-CZ 4.44Å; I217-F245 HydrophobicContact CG2-CD2 4.48Å; V241-F245 HydrophobicContact CG1-CD2 4.36Å; V241-F245 PolarHBondContact O-N 3.08Å; F245-L269 HydrophobicContact CB-CD2 4.13Å; F245-S321 WeakPolarHBondContact O-CB 3.16Å; F245-V323 HydrophobicContact CD1-CB 3.92Å; F245-V323 HydrophobicContact CD1-CG1 3.65Å; F245-V323 HydrophobicContact CE1-CB 4.14Å; F245-V323 HydrophobicContact CE1-CG1 3.62Å
246	G	93.9	Very high	93.5	Very high	13 Å²	13	26.2 Å²	26.2	13%	0.134	13%	0.129	C	C	.	.			trans	-79.9	136.8	-171.1	0	0	0	0	0	113.6	H242 Y268 S321	H242-G246 CarbonylContact O-C 3.54Å; H242-G246 WeakPolarHBondContact O-CA 3.38Å; H242-G246 PolarHBondContact O-N 3.43Å; G246-Y268 WeakPolarHBondContact CA-O 3.43Å; G246-S321 WeakPolarHBondContact O-CA 3.3Å; G246-S321 WeakPolarHBondContact O-CB 3.42Å
247	G	93.9	Very high	94	Very high	3 Å²	3	27.1 Å²	27.1	3%	0.031	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	-173.8	168.4	0	0	0	0	0	111.1	P267 Y268 R319	G247-P267 CarbonylContact O-C 3.53Å; G247-P267 VanDerWaalsContact O-CA 3.26Å; G247-P267 WeakPolarHBondContact O-CA 3.41Å; G247-Y268 VanDerWaalsContact CA-CE1 3.42Å; G247-Y268 PolarHBondContact N-O 2.74Å; G247-Y268 WeakPolarHBondContact O-CD1 3.41Å; G247-Y268 PolarHBondContact O-N 2.8Å; G247-R319 CarbonylContact C-O 3.54Å; G247-R319 WeakPolarHBondContact CA-O 3.39Å
248	Y	94.1	Very high	94.5	Very high	20 Å²	20	29 Å²	29	8%	0.078	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.5	177.4	-72.6	-101.1	0	0	0	110.9	V97 A237 P267 H318 R319	V97-Y248 HydrophobicContact CG1-CD1 4.27Å; V97-Y248 HydrophobicContact CG1-CE1 3.81Å; V97-Y248 HydrophobicContact CG2-CD1 4.09Å; V97-Y248 HydrophobicContact CG2-CE1 4.43Å; V97-Y248 HydrophobicContact CG2-CG 4.46Å; A237-Y248 VanDerWaalsContact CB-OH 3.3Å; A237-Y248 WeakPolarHBondContact CB-OH 3.23Å; Y248-P267 HydrophobicContact CD1-CB 4.32Å; Y248-P267 HydrophobicContact CE1-CB 4.13Å; Y248-H318 WeakPolarHBondContact O-CA 3.41Å; Y248-H318 WeakPolarHBondContact O-CB 3.17Å; Y248-H318 PolarHBondContact O-N 3.11Å; Y248-R319 HydrophobicContact CD2-CB 4.08Å; Y248-R319 HydrophobicContact CD2-CG 4.36Å; Y248-R319 PolarHBondContact N-O 3.12Å; Y248-R319 PolarHBondContact O-N 3.31Å
249	L	95.4	Very high	94.9	Very high	27 Å²	27	34.9 Å²	34.9	14%	0.141	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	146.3	164.2	-62.2	177.8	0	0	0	109.7	Y265 D266 Y268 I271 F288 T316 V317	L249-Y265 WeakPolarHBondContact O-CA 3.45Å; L249-D266 PolarHBondContact N-O 3.21Å; L249-D266 PolarHBondContact O-N 3.3Å; L249-Y268 HydrophobicContact CD2-CD1 4.02Å; L249-Y268 HydrophobicContact CD2-CE1 4.25Å; L249-Y268 HydrophobicContact CG-CD1 3.8Å; L249-Y268 HydrophobicContact CG-CE1 4.49Å; L249-Y268 HydrophobicContact CG-CG 4.42Å; L249-I271 HydrophobicContact CD2-CD1 4.24Å; L249-F288 HydrophobicContact CD1-CZ 3.93Å; L249-F288 HydrophobicContact CD2-CE1 4.03Å; L249-F288 HydrophobicContact CD2-CZ 3.94Å; L249-T316 WeakPolarHBondContact CA-O 3.44Å; L249-V317 HydrophobicContact CD2-CG2 4.16Å
250	R	95.6	Very high	95	Very high	41 Å²	41	35.7 Å²	35.7	16%	0.155	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114	165.5	178.2	-173.4	-158.5	137.1	13.6	109.1	D263 T264 Y265 F315 T316 H318 S356	R250-D263 IonicContact CZ-OD1 3.31Å; R250-D263 IonicContact CZ-OD2 3.8Å; R250-D263 IonicContact NE-OD1 3.57Å; R250-D263 PolarHBondContact NE-OD1 3.4Å; R250-D263 IonicContact NE-OD2 2.75Å; R250-D263 PolarHBondContact NE-OD2 3.17Å; R250-D263 IonicContact NH2-OD1 2.67Å; R250-D263 IonicContact NH2-OD2 3.53Å; R250-D263 PolarHBondContact NH2-OD2 3.05Å; R250-T264 CarbonylContact C-O 3.42Å; R250-T264 WeakPolarHBondContact CA-O 3.43Å; R250-Y265 HydrophobicContact CB-CD1 3.92Å; R250-Y265 HydrophobicContact CB-CE1 3.78Å; R250-Y265 HydrophobicContact CG-CD1 4.14Å; R250-Y265 HydrophobicContact CG-CE1 3.65Å; R250-Y265 PolarHBondContact NH1-OH 3.41Å; R250-Y265 PolarHBondContact NH2-OH 3.24Å; R250-Y265 VanDerWaalsContact NH2-OH 3.08Å; R250-F315 WeakPolarHBondContact O-CA 3.45Å; R250-T316 PolarHBondContact N-O 3.35Å; R250-T316 PolarHBondContact O-N 3.03Å; R250-H318 HydrophobicContact CB-CB 3.97Å; R250-S356 WeakPolarHBondContact CB-OG 3.31Å; R250-S356 WeakPolarHBondContact CD-OG 3.43Å
251	S	95.8	Very high	95	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	107.5	167.3	150.4	0	0	0	0	108.4	D263 T264 K313	S251-D263 WeakPolarHBondContact O-CA 3.44Å; S251-T264 VanDerWaalsContact CB-OG1 3.3Å; S251-T264 WeakPolarHBondContact CB-OG1 3.38Å; S251-T264 PolarHBondContact N-O 2.85Å; S251-T264 PolarHBondContact O-N 3.23Å; S251-T264 PolarHBondContact OG-OG1 3.26Å; S251-K313 VanDerWaalsContact OG-CE 3.31Å; S251-K313 WeakPolarHBondContact OG-CE 3.32Å
252	R	95.3	Very high	95	Very high	103 Å²	103	40.8 Å²	40.8	39%	0.389	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.8	-179.1	173.3	162	-83.3	-160.3	-16.9	110	V261 D263 K313 R314	R252-V261 HydrophobicContact CG-CG1 3.87Å; R252-D263 VanDerWaalsContact CB-OD1 3.26Å; R252-D263 WeakPolarHBondContact CB-OD1 3.47Å; R252-D263 WeakPolarHBondContact CG-OD1 3.48Å; R252-D263 IonicContact CZ-OD1 2.71Å; R252-D263 IonicContact CZ-OD2 2.64Å; R252-D263 IonicContact NE-OD1 3.59Å; R252-D263 PolarHBondContact NE-OD1 3.09Å; R252-D263 IonicContact NE-OD2 3.53Å; R252-D263 PolarHBondContact NE-OD2 2.76Å; R252-D263 IonicContact NH2-OD1 3.81Å; R252-D263 IonicContact NH2-OD2 3.66Å; R252-D263 PolarHBondContact NH2-OD2 2.84Å; R252-K313 CarbonylContact O-C 3.51Å; R252-K313 WeakPolarHBondContact O-CA 3.31Å; R252-R314 PolarHBondContact N-O 3.27Å; R252-R314 PolarHBondContact O-N 2.94Å
253	V	96.4	Very high	95	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.067	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123	172.8	-176.4	0	0	0	0	109.6	V261 S262 Y300 A311 T312 K313	V253-V261 CarbonylContact O-C 3.39Å; V253-V261 WeakPolarHBondContact O-CA 3.35Å; V253-S262 PolarHBondContact N-O 3.15Å; V253-S262 PolarHBondContact O-N 3.43Å; V253-Y300 HydrophobicContact CG1-CD1 3.8Å; V253-Y300 HydrophobicContact CG1-CD2 3.84Å; V253-Y300 HydrophobicContact CG1-CE1 3.92Å; V253-Y300 HydrophobicContact CG1-CE2 4Å; V253-Y300 HydrophobicContact CG1-CG 3.76Å; V253-A311 HydrophobicContact CG1-CB 3.85Å; V253-T312 CarbonylContact C-O 3.55Å; V253-T312 WeakPolarHBondContact CA-O 3.39Å; V253-K313 HydrophobicContact CG2-CB 4.3Å; V253-K313 HydrophobicContact CG2-CD 4.04Å; V253-K313 HydrophobicContact CG2-CG 4Å
254	K	96.6	Very high	95	Very high	104 Å²	104	42.8 Å²	42.8	45%	0.452	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115.6	176.1	-174.7	176.7	-178.9	178.6	0	109.5	S256 V261 A311 T312	K254-S256 PolarHBondContact O-N 3.31Å; K254-V261 HydrophobicContact CB-CG2 4.45Å; K254-V261 HydrophobicContact CG-CG2 4.23Å; K254-A311 CarbonylContact O-C 3.59Å; K254-A311 VanDerWaalsContact O-CA 3.28Å; K254-A311 WeakPolarHBondContact O-CA 3.21Å; K254-A311 WeakPolarHBondContact O-CB 3.37Å; K254-T312 PolarHBondContact N-O 3.18Å; K254-T312 PolarHBondContact O-N 2.87Å
255	C	96.3	Very high	94.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	130.4	174.5	173.1	0	0	0	0	110.8	I257 C258 K259 S260 C302	C255-I257 VanDerWaalsContact C-N 3.31Å; C255-I257 PolarHBondContact O-N 2.73Å; C255-I257 PolarHBondContact SG-N 2.9Å; C255-I257 VanDerWaalsContact SG-N 3.41Å; C255-C258 PolarHBondContact SG-N 2.74Å; C255-C258 VanDerWaalsContact SG-N 3.44Å; C255-K259 WeakPolarHBondContact O-CA 3.41Å; C255-K259 PolarHBondContact O-N 3.35Å; C255-S260 WeakPolarHBondContact CB-OG 3.03Å; C255-S260 PolarHBondContact N-O 3.29Å; C255-C302 HydrophobicContact CB-CB 4.48Å
256	S	95.1	Very high	94.7	Very high	45 Å²	45	47.3 Å²	47.3	32%	0.315	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-22.6	179.3	-61.1	0	0	0	0	113.2	K254 K259 P310	K254-S256 PolarHBondContact O-N 3.31Å; S256-K259 PolarHBondContact O-NZ 3.09Å; S256-P310 WeakPolarHBondContact CB-O 3.48Å; S256-P310 PolarHBondContact N-O 3.01Å; S256-P310 PolarHBondContact OG-O 3.31Å
257	I	94.1	Very high	94.6	Very high	92 Å²	92	49 Å²	49	47%	0.472	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-86.4	177.7	-51.8	-172.5	0	0	0	110.1	C255 K259 V309	C255-I257 VanDerWaalsContact C-N 3.31Å; C255-I257 PolarHBondContact O-N 2.73Å; C255-I257 PolarHBondContact SG-N 2.9Å; C255-I257 VanDerWaalsContact SG-N 3.41Å; I257-K259 WeakPolarHBondContact O-CD 3.46Å; I257-K259 WeakPolarHBondContact O-CE 3.24Å; I257-K259 PolarHBondContact O-N 3.45Å; I257-V309 HydrophobicContact CD1-CB 4.06Å; I257-V309 HydrophobicContact CD1-CG1 3.55Å; I257-V309 HydrophobicContact CG1-CB 4.25Å; I257-V309 HydrophobicContact CG1-CG1 4.15Å
258	C	94.8	Very high	94.5	Very high	53 Å²	53	49.7 Å²	49.7	36%	0.358	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	10.2	-174.7	70.2	0	0	0	0	115.2	C255 S260 C305	C255-C258 PolarHBondContact SG-N 2.74Å; C255-C258 VanDerWaalsContact SG-N 3.44Å; C258-S260 PolarHBondContact O-N 2.86Å; C258-S260 PolarHBondContact SG-OG 2.78Å; C258-S260 VanDerWaalsContact SG-OG 3.39Å; C258-C305 PolarHBondContact SG-SG 2.77Å
259	K	95.7	Very high	94.5	Very high	132 Å²	132	49.2 Å²	49.2	57%	0.574	26%	0.257	S	S	*	.			trans	55.9	4.5	179.6	-45.8	-53.2	179.5	-174.1	0	116.2	C255 S256 I257 V261	C255-K259 WeakPolarHBondContact O-CA 3.41Å; C255-K259 PolarHBondContact O-N 3.35Å; S256-K259 PolarHBondContact O-NZ 3.09Å; I257-K259 WeakPolarHBondContact O-CD 3.46Å; I257-K259 WeakPolarHBondContact O-CE 3.24Å; I257-K259 PolarHBondContact O-N 3.45Å; K259-V261 PolarHBondContact O-N 3.48Å
260	S	94.6	Very high	94.5	Very high	19 Å²	19	49.2 Å²	49.2	13%	0.133	26%	0.258	C	S	.	.			trans	-59.2	131.9	-177.9	70.4	0	0	0	0	111.8	C255 C258	C255-S260 WeakPolarHBondContact CB-OG 3.03Å; C255-S260 PolarHBondContact N-O 3.29Å; C258-S260 PolarHBondContact O-N 2.86Å; C258-S260 PolarHBondContact SG-OG 2.78Å; C258-S260 VanDerWaalsContact SG-OG 3.39Å
261	V	94.7	Very high	94.5	Very high	73 Å²	73	47.5 Å²	47.5	44%	0.442	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	136.9	174.8	-177.8	0	0	0	0	109.9	R252 V253 K254 K259	R252-V261 HydrophobicContact CG-CG1 3.87Å; V253-V261 CarbonylContact O-C 3.39Å; V253-V261 WeakPolarHBondContact O-CA 3.35Å; K254-V261 HydrophobicContact CB-CG2 4.45Å; K254-V261 HydrophobicContact CG-CG2 4.23Å; K259-V261 PolarHBondContact O-N 3.48Å
262	S	93.7	Very high	94.5	Very high	46 Å²	46	48.2 Å²	48.2	32%	0.322	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.2	167.9	-179.4	0	0	0	0	107.4	V253 Y300	V253-S262 PolarHBondContact N-O 3.15Å; V253-S262 PolarHBondContact O-N 3.43Å; S262-Y300 WeakPolarHBondContact CB-OH 3.08Å
263	D	94.2	Very high	94.5	Very high	49 Å²	49	43.3 Å²	43.3	26%	0.262	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.9	175.2	-74.9	-54.8	0	0	0	109.5	R250 S251 R252	R250-D263 IonicContact CZ-OD1 3.31Å; R250-D263 IonicContact CZ-OD2 3.8Å; R250-D263 IonicContact NE-OD1 3.57Å; R250-D263 PolarHBondContact NE-OD1 3.4Å; R250-D263 IonicContact NE-OD2 2.75Å; R250-D263 PolarHBondContact NE-OD2 3.17Å; R250-D263 IonicContact NH2-OD1 2.67Å; R250-D263 IonicContact NH2-OD2 3.53Å; R250-D263 PolarHBondContact NH2-OD2 3.05Å; S251-D263 WeakPolarHBondContact O-CA 3.44Å; R252-D263 VanDerWaalsContact CB-OD1 3.26Å; R252-D263 WeakPolarHBondContact CB-OD1 3.47Å; R252-D263 WeakPolarHBondContact CG-OD1 3.48Å; R252-D263 IonicContact CZ-OD1 2.71Å; R252-D263 IonicContact CZ-OD2 2.64Å; R252-D263 IonicContact NE-OD1 3.59Å; R252-D263 PolarHBondContact NE-OD1 3.09Å; R252-D263 IonicContact NE-OD2 3.53Å; R252-D263 PolarHBondContact NE-OD2 2.76Å; R252-D263 IonicContact NH2-OD1 3.81Å; R252-D263 IonicContact NH2-OD2 3.66Å; R252-D263 PolarHBondContact NH2-OD2 2.84Å
264	T	93.5	Very high	94.3	Very high	60 Å²	60	46.3 Å²	46.3	37%	0.368	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.6	166	67	0	0	0	0	109.9	R250 S251 D266	R250-T264 CarbonylContact C-O 3.42Å; R250-T264 WeakPolarHBondContact CA-O 3.43Å; S251-T264 VanDerWaalsContact CB-OG1 3.3Å; S251-T264 WeakPolarHBondContact CB-OG1 3.38Å; S251-T264 PolarHBondContact N-O 2.85Å; S251-T264 PolarHBondContact O-N 3.23Å; S251-T264 PolarHBondContact OG-OG1 3.26Å; T264-D266 PolarHBondContact OG1-OD2 3.48Å; T264-D266 VanDerWaalsContact OG1-OD2 3.06Å
265	Y	93.4	Very high	94.2	Very high	30 Å²	30	41.3 Å²	41.3	12%	0.118	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.4	178.3	-60.9	-72.8	0	0	0	110.1	D95 G96 V97 R233 L249 R250 H318	D95-Y265 PolarHBondContact O-OH 2.81Å; D95-Y265 VanDerWaalsContact O-OH 3.07Å; G96-Y265 VanDerWaalsContact O-CD2 3.26Å; G96-Y265 WeakPolarHBondContact O-CD2 3.41Å; G96-Y265 WeakPolarHBondContact O-CE2 3.38Å; V97-Y265 HydrophobicContact CG2-CD1 3.92Å; V97-Y265 HydrophobicContact CG2-CD2 3.97Å; V97-Y265 HydrophobicContact CG2-CG 3.57Å; R233-Y265 PolarHBondContact NH1-O 2.97Å; R233-Y265 PolarHBondContact NH2-O 2.76Å; L249-Y265 WeakPolarHBondContact O-CA 3.45Å; R250-Y265 HydrophobicContact CB-CD1 3.92Å; R250-Y265 HydrophobicContact CB-CE1 3.78Å; R250-Y265 HydrophobicContact CG-CD1 4.14Å; R250-Y265 HydrophobicContact CG-CE1 3.65Å; R250-Y265 PolarHBondContact NH1-OH 3.41Å; R250-Y265 PolarHBondContact NH2-OH 3.24Å; R250-Y265 VanDerWaalsContact NH2-OH 3.08Å; Y265-H318 HydrophobicContact CD1-CB 4.27Å; Y265-H318 AromaticContact CD1-CD2 3.42Å; Y265-H318 VanDerWaalsContact CD1-CD2 3.42Å; Y265-H318 WeakPolarHBondContact CD1-CD2 3.43Å; Y265-H318 AromaticContact CD1-CG 3.84Å; Y265-H318 AromaticContact CD1-NE2 3.98Å; Y265-H318 HydrophobicContact CE1-CB 4.34Å; Y265-H318 AromaticContact CE1-CD2 3.44Å; Y265-H318 VanDerWaalsContact CE1-CD2 3.44Å; Y265-H318 WeakPolarHBondContact CE1-CD2 3.43Å; Y265-H318 AromaticContact CE1-CE1 3.92Å; Y265-H318 AromaticContact CE1-CG 3.65Å; Y265-H318 AromaticContact CE1-ND1 3.95Å; Y265-H318 AromaticContact CE1-NE2 3.62Å
266	D	91.1	Very high	93.9	Very high	66 Å²	66	48.2 Å²	48.2	35%	0.353	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.9	-168.5	-67.5	-58.7	0	0	0	109.7	R233 L249 T264	R233-D266 IonicContact NH1-OD1 2.76Å; L249-D266 PolarHBondContact N-O 3.21Å; L249-D266 PolarHBondContact O-N 3.3Å; T264-D266 PolarHBondContact OG1-OD2 3.48Å; T264-D266 VanDerWaalsContact OG1-OD2 3.06Å
267	P	91.9	Very high	93.7	Very high	50 Å²	50	53.9 Å²	53.9	33%	0.325	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	142.1	-178.2	29.2	-34.1	0	0	0	111.1	G247 Y248	G247-P267 CarbonylContact O-C 3.53Å; G247-P267 VanDerWaalsContact O-CA 3.26Å; G247-P267 WeakPolarHBondContact O-CA 3.41Å; Y248-P267 HydrophobicContact CD1-CB 4.32Å; Y248-P267 HydrophobicContact CE1-CB 4.13Å
268	Y	92.9	Very high	93.6	Very high	16 Å²	16	49.5 Å²	49.5	6%	0.063	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	156.1	176.7	77.5	-95.1	0	0	0	110.9	G246 G247 L249 I271 V317 S321 L324	G246-Y268 WeakPolarHBondContact CA-O 3.43Å; G247-Y268 VanDerWaalsContact CA-CE1 3.42Å; G247-Y268 PolarHBondContact N-O 2.74Å; G247-Y268 WeakPolarHBondContact O-CD1 3.41Å; G247-Y268 PolarHBondContact O-N 2.8Å; L249-Y268 HydrophobicContact CD2-CD1 4.02Å; L249-Y268 HydrophobicContact CD2-CE1 4.25Å; L249-Y268 HydrophobicContact CG-CD1 3.8Å; L249-Y268 HydrophobicContact CG-CE1 4.49Å; L249-Y268 HydrophobicContact CG-CG 4.42Å; Y268-I271 HydrophobicContact CD2-CD1 4.28Å; Y268-I271 HydrophobicContact CD2-CG1 3.7Å; Y268-I271 HydrophobicContact CE1-CD1 4.32Å; Y268-I271 HydrophobicContact CE2-CD1 3.93Å; Y268-I271 HydrophobicContact CE2-CG1 3.76Å; Y268-I271 HydrophobicContact CG-CG1 4.21Å; Y268-V317 HydrophobicContact CE1-CG1 4.33Å; Y268-S321 PolarHBondContact OH-N 3.22Å; Y268-S321 VanDerWaalsContact OH-N 3.12Å; Y268-S321 PolarHBondContact OH-OG 3.06Å; Y268-L324 HydrophobicContact CE2-CD1 4.29Å
269	L	94.3	Very high	93.6	Very high	11 Å²	11	50 Å²	50	6%	0.058	26%	0.264	C	S	.	.	S	Bend	trans	-119.2	-16.6	169.9	-66.7	164.8	0	0	0	111.7	I217 V241 F245	I217-L269 HydrophobicContact CG2-CB 4.5Å; I217-L269 HydrophobicContact CG2-CD1 3.97Å; I217-L269 HydrophobicContact CG2-CD2 4.3Å; I217-L269 HydrophobicContact CG2-CG 4.5Å; V241-L269 HydrophobicContact CG1-CD2 4.24Å; F245-L269 HydrophobicContact CB-CD2 4.13Å
270	D	95.3	Very high	93.6	Very high	27 Å²	27	46.8 Å²	46.8	14%	0.144	25%	0.253	C	S	.	.			trans	-151.7	150.8	179.7	63.6	-64.8	0	0	0	109	H210 R214 T325	H210-D270 IonicContact CE1-OD2 3.82Å; H210-D270 PolarHBondContact CE1-OD2 3.47Å; H210-D270 VanDerWaalsContact CE1-OD2 3.3Å; H210-D270 IonicContact NE2-OD2 2.71Å; H210-D270 PolarHBondContact NE2-OD2 3Å; R214-D270 IonicContact CZ-OD1 3.84Å; R214-D270 IonicContact NH1-OD1 2.8Å; R214-D270 PolarHBondContact NH1-OD1 3.24Å; D270-T325 WeakPolarHBondContact CA-O 3.37Å; D270-T325 HydrophobicContact CB-CG2 4.2Å
271	I	95.9	Very high	93.7	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.5	173.9	-55.6	-176.7	0	0	0	108.9	L249 Y268 V273 F288 V317 L324 T325 L326 S327	L249-I271 HydrophobicContact CD2-CD1 4.24Å; Y268-I271 HydrophobicContact CD2-CD1 4.28Å; Y268-I271 HydrophobicContact CD2-CG1 3.7Å; Y268-I271 HydrophobicContact CE1-CD1 4.32Å; Y268-I271 HydrophobicContact CE2-CD1 3.93Å; Y268-I271 HydrophobicContact CE2-CG1 3.76Å; Y268-I271 HydrophobicContact CG-CG1 4.21Å; I271-V273 HydrophobicContact CG2-CG1 4.09Å; I271-F288 HydrophobicContact CG2-CD2 4.32Å; I271-F288 HydrophobicContact CG2-CE1 4.11Å; I271-F288 HydrophobicContact CG2-CE2 3.87Å; I271-F288 HydrophobicContact CG2-CZ 3.76Å; I271-V317 HydrophobicContact CD1-CG2 4.15Å; I271-L324 HydrophobicContact CD1-CD1 3.97Å; I271-L324 HydrophobicContact CG1-CD1 4.4Å; I271-T325 PolarHBondContact N-O 3.3Å; I271-L326 HydrophobicContact CB-CD2 3.93Å; I271-L326 WeakPolarHBondContact O-CA 3.48Å; I271-S327 PolarHBondContact O-N 3.27Å
272	A	95.1	Very high	93.8	Very high	22 Å²	22	45.1 Å²	45.1	18%	0.182	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	105.1	178.6	0	0	0	0	0	111.3	S327 K329	A272-S327 CarbonylContact C-O 3.56Å; A272-S327 WeakPolarHBondContact CA-O 3.37Å; A272-K329 HydrophobicContact CB-CG 4.4Å
273	V	95.1	Very high	93.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	145.6	-174.6	-62.9	0	0	0	0	112.8	I271 I275 A284 L285 S327 L328 K329	I271-V273 HydrophobicContact CG2-CG1 4.09Å; V273-I275 HydrophobicContact CG2-CG2 4.36Å; V273-A284 HydrophobicContact CB-CB 4.13Å; V273-A284 HydrophobicContact CG2-CB 4.17Å; V273-L285 HydrophobicContact CG1-CD2 4.01Å; V273-S327 PolarHBondContact N-O 3.08Å; V273-L328 HydrophobicContact CG2-CD2 3.46Å; V273-L328 VanDerWaalsContact CG2-CD2 3.46Å; V273-K329 WeakPolarHBondContact O-CB 3.44Å; V273-K329 WeakPolarHBondContact O-CG 3.31Å; V273-K329 PolarHBondContact O-N 3.23Å
274	E	92.9	Very high	94	Very high	73 Å²	73	46.5 Å²	46.5	34%	0.341	24%	0.237	S	C	.	.			trans	-87.3	119.8	178.9	-166.2	65.1	-134.7	0	0	110.5	R276 K329	E274-R276 WeakPolarHBondContact OE1-CD 3.38Å; E274-R276 IonicContact OE1-NE 2.61Å; E274-K329 WeakPolarHBondContact OE2-CD 3.35Å; E274-K329 IonicContact OE2-NZ 2.6Å; E274-K329 PolarHBondContact OE2-NZ 3.44Å
275	I	93.9	Very high	94.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.			trans	-104.9	-12.6	-171.6	60	164.6	0	0	0	114.9	V273 Q277 A278 L328 R330 I339 V343	V273-I275 HydrophobicContact CG2-CG2 4.36Å; I275-Q277 VanDerWaalsContact C-N 3.28Å; I275-Q277 PolarHBondContact O-N 3.23Å; I275-A278 PolarHBondContact O-N 3.32Å; I275-A278 VanDerWaalsContact O-O 3.1Å; I275-L328 HydrophobicContact CD1-CB 4.46Å; I275-L328 HydrophobicContact CG2-CB 4.09Å; I275-L328 HydrophobicContact CG2-CD1 4.46Å; I275-L328 HydrophobicContact CG2-CD2 4.39Å; I275-R330 HydrophobicContact CD1-CB 4.48Å; I275-R330 HydrophobicContact CD1-CG 3.6Å; I275-I339 HydrophobicContact CD1-CB 4.17Å; I275-I339 HydrophobicContact CD1-CD1 4.36Å; I275-I339 HydrophobicContact CD1-CG2 3.86Å; I275-I339 HydrophobicContact CG1-CD1 4.11Å; I275-I339 HydrophobicContact CG1-CG2 4.41Å; I275-V343 HydrophobicContact CB-CG2 4.14Å; I275-V343 HydrophobicContact CD1-CG2 4.18Å; I275-V343 HydrophobicContact CG2-CG1 4.4Å; I275-V343 HydrophobicContact CG2-CG2 4.39Å
276	R	90.6	Very high	94.3	Very high	145 Å²	145	45.8 Å²	45.8	55%	0.547	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-48.3	-176.3	-69.6	174.7	179.5	-103.1	-0.8	112.9	E274 A332 I339	E274-R276 WeakPolarHBondContact OE1-CD 3.38Å; E274-R276 IonicContact OE1-NE 2.61Å; R276-A332 VanDerWaalsContact NH2-CB 3.29Å; R276-I339 HydrophobicContact CG-CD1 3.61Å
277	Q	89.7	Confident	94.5	Very high	163 Å²	163	44.9 Å²	44.9	76%	0.762	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	7.1	-176.9	-61.5	178.7	2.7	0	0	113.4	I275 L287	I275-Q277 VanDerWaalsContact C-N 3.28Å; I275-Q277 PolarHBondContact O-N 3.23Å; Q277-L287 HydrophobicContact CB-CD1 4.05Å
278	A	93.1	Very high	94.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.			trans	-108.6	141.1	180	0	0	0	0	0	111	I275 R283 A284 L287 K341	I275-A278 PolarHBondContact O-N 3.32Å; I275-A278 VanDerWaalsContact O-O 3.1Å; A278-R283 HydrophobicContact CB-CB 4.3Å; A278-R283 HydrophobicContact CB-CG 4.3Å; A278-A284 HydrophobicContact CB-CB 3.82Å; A278-L287 HydrophobicContact CB-CD1 4.41Å; A278-K341 PolarHBondContact O-NZ 2.95Å
279	A	93.7	Very high	94.8	Very high	65 Å²	65	44.4 Å²	44.4	54%	0.537	22%	0.219	S	C	.	.	S	Bend	trans	-94.7	-17.9	169.9	0	0	0	0	0	112.4	V343 G344	A279-V343 WeakPolarHBondContact O-CA 3.49Å; A279-G344 PolarHBondContact O-N 3.32Å
280	N	96.1	Very high	94.8	Very high	64 Å²	64	50.2 Å²	50.2	34%	0.342	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-152.4	167.1	-178.3	58.6	41.8	0	0	0	111	V282 R283 A284 G344	N280-V282 VanDerWaalsContact C-N 3.33Å; N280-V282 PolarHBondContact O-N 2.87Å; N280-V282 PolarHBondContact OD1-N 3.24Å; N280-R283 PolarHBondContact O-N 3.32Å; N280-R283 VanDerWaalsContact OD1-CB 3.28Å; N280-R283 WeakPolarHBondContact OD1-CB 3.39Å; N280-R283 PolarHBondContact OD1-N 3.21Å; N280-A284 PolarHBondContact O-N 3.12Å; N280-G344 CarbonylContact C-O 3.55Å; N280-G344 WeakPolarHBondContact CA-O 3.4Å; N280-G344 WeakPolarHBondContact CB-O 3.05Å
281	I	96.4	Very high	94.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-33	-177.8	-60.2	-53.7	0	0	0	112.8	R283 A284 L285 L326 L328 V343 G344 L418	I281-R283 VanDerWaalsContact C-N 3.34Å; I281-R283 PolarHBondContact O-N 3.31Å; I281-A284 PolarHBondContact O-N 3.26Å; I281-A284 VanDerWaalsContact O-N 3.17Å; I281-L285 HydrophobicContact CG2-CD1 3.91Å; I281-L285 HydrophobicContact CG2-CG 4.22Å; I281-L285 WeakPolarHBondContact O-CB 3.2Å; I281-L285 WeakPolarHBondContact O-CG 3.45Å; I281-L285 PolarHBondContact O-N 3.29Å; I281-L326 HydrophobicContact CG2-CD1 3.67Å; I281-L328 HydrophobicContact CD1-CD1 3.88Å; I281-L328 HydrophobicContact CD1-CD2 3.4Å; I281-L328 VanDerWaalsContact CD1-CD2 3.4Å; I281-L328 HydrophobicContact CD1-CG 4.33Å; I281-V343 HydrophobicContact CD1-CG1 3.77Å; I281-V343 HydrophobicContact CG1-CG1 4.43Å; I281-G344 PolarHBondContact N-O 2.86Å; I281-L418 HydrophobicContact CD1-CD1 3.92Å; I281-L418 HydrophobicContact CG1-CD1 3.7Å
282	V	96.3	Very high	94.7	Very high	56 Å²	56	56.8 Å²	56.8	34%	0.339	28%	0.283	S	S	.	.	H	α-helix	trans	-55.4	-50.6	174.1	177.8	0	0	0	0	109.7	N280 L285 E286 Y354	N280-V282 VanDerWaalsContact C-N 3.33Å; N280-V282 PolarHBondContact O-N 2.87Å; N280-V282 PolarHBondContact OD1-N 3.24Å; V282-L285 PolarHBondContact O-N 3.25Å; V282-E286 WeakPolarHBondContact O-CG 3.46Å; V282-E286 PolarHBondContact O-N 2.86Å; V282-Y354 VanDerWaalsContact CG1-OH 3.26Å; V282-Y354 WeakPolarHBondContact CG1-OH 3.27Å; V282-Y354 PolarHBondContact O-OH 2.97Å
283	R	96.5	Very high	94.7	Very high	124 Å²	124	59.9 Å²	59.9	47%	0.468	30%	0.299	S	S	.	.	H	α-helix	trans	-68.5	-34.1	176	-173.1	55.3	168	-167.8	-6.1	113.3	A278 N280 I281 L285 E286 L287	A278-R283 HydrophobicContact CB-CB 4.3Å; A278-R283 HydrophobicContact CB-CG 4.3Å; N280-R283 PolarHBondContact O-N 3.32Å; N280-R283 VanDerWaalsContact OD1-CB 3.28Å; N280-R283 WeakPolarHBondContact OD1-CB 3.39Å; N280-R283 PolarHBondContact OD1-N 3.21Å; I281-R283 VanDerWaalsContact C-N 3.34Å; I281-R283 PolarHBondContact O-N 3.31Å; R283-L285 VanDerWaalsContact C-N 3.32Å; R283-E286 WeakPolarHBondContact CD-OE2 3.47Å; R283-E286 IonicContact CZ-OE2 3.49Å; R283-E286 IonicContact NE-OE2 2.75Å; R283-E286 IonicContact NH1-OE2 2.98Å; R283-E286 PolarHBondContact NH1-OE2 3.5Å; R283-E286 PolarHBondContact O-N 3.27Å; R283-L287 HydrophobicContact CG-CD1 4.47Å; R283-L287 WeakPolarHBondContact O-CG 3.41Å; R283-L287 PolarHBondContact O-N 3.13Å
284	A	96.8	Very high	94.6	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-37.4	175.4	0	0	0	0	0	111.8	V273 A278 N280 I281 F288	V273-A284 HydrophobicContact CB-CB 4.13Å; V273-A284 HydrophobicContact CG2-CB 4.17Å; A278-A284 HydrophobicContact CB-CB 3.82Å; N280-A284 PolarHBondContact O-N 3.12Å; I281-A284 PolarHBondContact O-N 3.26Å; I281-A284 VanDerWaalsContact O-N 3.17Å; A284-F288 WeakPolarHBondContact O-CB 3.43Å; A284-F288 PolarHBondContact O-N 2.86Å
285	L	96.5	Very high	94.5	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-72.9	-36.5	174.5	-69.7	169	0	0	0	112.3	V273 I281 V282 R283 F288 V289 L349 I351 Y354	V273-L285 HydrophobicContact CG1-CD2 4.01Å; I281-L285 HydrophobicContact CG2-CD1 3.91Å; I281-L285 HydrophobicContact CG2-CG 4.22Å; I281-L285 WeakPolarHBondContact O-CB 3.2Å; I281-L285 WeakPolarHBondContact O-CG 3.45Å; I281-L285 PolarHBondContact O-N 3.29Å; V282-L285 PolarHBondContact O-N 3.25Å; R283-L285 VanDerWaalsContact C-N 3.32Å; L285-F288 PolarHBondContact O-N 3.14Å; L285-V289 PolarHBondContact O-N 2.85Å; L285-L349 HydrophobicContact CD1-CD1 4.18Å; L285-L349 HydrophobicContact CD1-CD2 4.12Å; L285-I351 HydrophobicContact CD1-CD1 4.01Å; L285-Y354 VanDerWaalsContact C-CE1 3.49Å; L285-Y354 HydrophobicContact CB-CD1 3.63Å; L285-Y354 HydrophobicContact CB-CD2 4.05Å; L285-Y354 HydrophobicContact CB-CE1 3.5Å; L285-Y354 VanDerWaalsContact CB-CE1 3.5Å; L285-Y354 HydrophobicContact CB-CE2 3.91Å; L285-Y354 HydrophobicContact CB-CG 3.9Å; L285-Y354 HydrophobicContact CD1-CD2 4.11Å; L285-Y354 HydrophobicContact CD1-CE2 3.92Å
286	E	95.6	Very high	94.4	Very high	74 Å²	74	62.9 Å²	62.9	35%	0.346	34%	0.338	S	S	.	.	H	α-helix	trans	-58.4	-46.6	170.3	-73	169.3	-158.1	0	0	111.6	V282 R283 V289 K290 Y354	V282-E286 WeakPolarHBondContact O-CG 3.46Å; V282-E286 PolarHBondContact O-N 2.86Å; R283-E286 WeakPolarHBondContact CD-OE2 3.47Å; R283-E286 IonicContact CZ-OE2 3.49Å; R283-E286 IonicContact NE-OE2 2.75Å; R283-E286 IonicContact NH1-OE2 2.98Å; R283-E286 PolarHBondContact NH1-OE2 3.5Å; R283-E286 PolarHBondContact O-N 3.27Å; E286-V289 CarbonylContact O-C 3.55Å; E286-V289 PolarHBondContact O-N 3.28Å; E286-K290 PolarHBondContact O-N 3.1Å; E286-Y354 HydrophobicContact CB-CE1 4.42Å; E286-Y354 HydrophobicContact CG-CE1 3.85Å; E286-Y354 VanDerWaalsContact N-CE1 3.34Å
287	L	95.6	Very high	94.3	Very high	46 Å²	46	64.3 Å²	64.3	24%	0.241	35%	0.35	C	S	.	.	H	α-helix	trans	-65.8	-37.5	176.8	-69.7	173.7	0	0	0	111.8	Q277 A278 R283 V289 K290	Q277-L287 HydrophobicContact CB-CD1 4.05Å; A278-L287 HydrophobicContact CB-CD1 4.41Å; R283-L287 HydrophobicContact CG-CD1 4.47Å; R283-L287 WeakPolarHBondContact O-CG 3.41Å; R283-L287 PolarHBondContact O-N 3.13Å; L287-V289 VanDerWaalsContact C-N 3.34Å; L287-V289 PolarHBondContact O-N 2.91Å; L287-K290 HydrophobicContact CD2-CD 4.41Å; L287-K290 VanDerWaalsContact O-CB 3.3Å; L287-K290 WeakPolarHBondContact O-CB 3.43Å; L287-K290 PolarHBondContact O-N 2.89Å
288	F	95.4	Very high	94.4	Very high	47 Å²	47	60.2 Å²	60.2	21%	0.206	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-36.2	174.9	175.8	-98.4	0	0	0	113.1	L249 I271 A284 L285 F315	L249-F288 HydrophobicContact CD1-CZ 3.93Å; L249-F288 HydrophobicContact CD2-CE1 4.03Å; L249-F288 HydrophobicContact CD2-CZ 3.94Å; I271-F288 HydrophobicContact CG2-CD2 4.32Å; I271-F288 HydrophobicContact CG2-CE1 4.11Å; I271-F288 HydrophobicContact CG2-CE2 3.87Å; I271-F288 HydrophobicContact CG2-CZ 3.76Å; A284-F288 WeakPolarHBondContact O-CB 3.43Å; A284-F288 PolarHBondContact O-N 2.86Å; L285-F288 PolarHBondContact O-N 3.14Å; F288-F315 HydrophobicContact CE1-CB 4.46Å; F288-F315 HydrophobicContact CZ-CB 4.39Å
289	V	95.8	Very high	94.4	Very high	9 Å²	9	60.7 Å²	60.7	6%	0.055	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	6.2	176	-52.3	0	0	0	0	114.4	L285 E286 L287 R314 F315 T316 Y354	L285-V289 PolarHBondContact O-N 2.85Å; E286-V289 CarbonylContact O-C 3.55Å; E286-V289 PolarHBondContact O-N 3.28Å; L287-V289 VanDerWaalsContact C-N 3.34Å; L287-V289 PolarHBondContact O-N 2.91Å; V289-R314 WeakPolarHBondContact O-CG 3.45Å; V289-R314 PolarHBondContact O-NE 3.42Å; V289-R314 PolarHBondContact O-NH2 2.82Å; V289-F315 VanDerWaalsContact CA-O 3.32Å; V289-F315 WeakPolarHBondContact CA-O 3.44Å; V289-F315 WeakPolarHBondContact CB-O 3.33Å; V289-T316 HydrophobicContact CB-CG2 4.49Å; V289-Y354 HydrophobicContact CG1-CD1 4.29Å; V289-Y354 HydrophobicContact CG2-CD1 3.9Å
290	K	95.3	Very high	94.4	Very high	133 Å²	133	58.8 Å²	58.8	58%	0.578	32%	0.317	S	S	*	.	S	Bend	trans	-66	138.5	176.6	-170.5	-178.5	174.9	-173.8	0	109.8	E286 L287 D292	E286-K290 PolarHBondContact O-N 3.1Å; L287-K290 HydrophobicContact CD2-CD 4.41Å; L287-K290 VanDerWaalsContact O-CB 3.3Å; L287-K290 WeakPolarHBondContact O-CB 3.43Å; L287-K290 PolarHBondContact O-N 2.89Å; K290-D292 PolarHBondContact O-N 3.32Å
291	P	94.9	Very high	94.3	Very high	67 Å²	67	60.1 Å²	60.1	44%	0.435	32%	0.322	S	S	.	.			trans	-67.5	131.3	169.1	-14.5	28.6	0	0	0	111	T312 K313 R314	P291-T312 HydrophobicContact CB-CG2 3.53Å; P291-K313 CarbonylContact C-O 3.54Å; P291-K313 WeakPolarHBondContact CA-O 3.24Å; P291-R314 HydrophobicContact CB-CB 4.5Å; P291-R314 HydrophobicContact CG-CG 4.32Å
292	D	93.9	Very high	94.2	Very high	102 Å²	102	60.1 Å²	60.1	55%	0.545	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	158.2	175.3	-176	28.8	0	0	0	110.6	K290 T312 K313	K290-D292 PolarHBondContact O-N 3.32Å; D292-T312 CarbonylContact O-C 3.56Å; D292-T312 WeakPolarHBondContact O-CA 3.39Å; D292-T312 WeakPolarHBondContact O-CG2 3.47Å; D292-K313 PolarHBondContact N-O 3.17Å; D292-K313 PolarHBondContact O-N 3.36Å
293	V	94.3	Very high	94.1	Very high	87 Å²	87	61.5 Å²	61.5	53%	0.527	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110.6	-174.1	-178.1	0	0	0	0	110.9	S295	V293-S295 PolarHBondContact O-N 3.36Å
294	L	93	Very high	94	Very high	11 Å²	11	63.5 Å²	63.5	6%	0.058	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	99.8	174.7	-61.8	-178.7	0	0	0	109.7	P310 A311 K313	L294-P310 VanDerWaalsContact O-CA 3.29Å; L294-P310 WeakPolarHBondContact O-CA 3.5Å; L294-A311 WeakPolarHBondContact CB-O 3.25Å; L294-A311 PolarHBondContact N-O 2.84Å; L294-A311 PolarHBondContact O-N 2.85Å; L294-K313 HydrophobicContact CD1-CB 3.98Å; L294-K313 HydrophobicContact CD1-CD 4.17Å; L294-K313 HydrophobicContact CG-CB 4.12Å
295	S	91.7	Very high	93.8	Very high	62 Å²	62	65.2 Å²	65.2	43%	0.434	36%	0.363	S	S	.	.			trans	-135.4	171.2	-179.8	52.1	0	0	0	0	112.5	V293 E297 N298	V293-S295 PolarHBondContact O-N 3.36Å; S295-E297 PolarHBondContact O-N 3.34Å; S295-N298 WeakPolarHBondContact O-CB 3.27Å; S295-N298 PolarHBondContact O-N 3.33Å
296	G	91	Very high	93.7	Very high	64 Å²	64	74.1 Å²	74.1	66%	0.66	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	61.1	-134	-178.4	0	0	0	0	0	112.2	N298 A299	G296-N298 PolarHBondContact O-N 2.8Å; G296-A299 WeakPolarHBondContact O-CB 3.27Å; G296-A299 PolarHBondContact O-N 2.87Å; G296-A299 VanDerWaalsContact O-N 3.1Å
297	E	89.8	Confident	93.7	Very high	174 Å²	174	76.5 Å²	76.5	81%	0.813	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-55.7	-37.8	175.9	-61.2	-177.4	-178.2	0	0	112.5	S295 A299 K308	S295-E297 PolarHBondContact O-N 3.34Å; E297-A299 PolarHBondContact O-N 2.77Å; E297-K308 PolarHBondContact O-NZ 2.72Å
298	N	91.8	Very high	93.6	Very high	78 Å²	78	80 Å²	80	42%	0.417	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-77	1.7	-178.1	-60.1	-20.2	0	0	0	113.4	S295 G296 Y300 V1120	S295-N298 WeakPolarHBondContact O-CB 3.27Å; S295-N298 PolarHBondContact O-N 3.33Å; G296-N298 PolarHBondContact O-N 2.8Å; N298-Y300 PolarHBondContact O-N 2.8Å; N298-V1120 HydrophobicContact CB-CG1 3.87Å; N298-V1120 VanDerWaalsContact CG-CG1 3.48Å; N298-V1120 WeakPolarHBondContact OD1-CG1 3.43Å
299	A	92.1	Very high	93.6	Very high	9 Å²	9	77.9 Å²	77.9	7%	0.074	42%	0.415	C	S	.	.			trans	-57.5	135	-178	0	0	0	0	0	113.1	G296 E297 K308	G296-A299 WeakPolarHBondContact O-CB 3.27Å; G296-A299 PolarHBondContact O-N 2.87Å; G296-A299 VanDerWaalsContact O-N 3.1Å; E297-A299 PolarHBondContact O-N 2.77Å; A299-K308 HydrophobicContact CB-CB 4.2Å; A299-K308 HydrophobicContact CB-CD 4.39Å
300	Y	93.3	Very high	93.6	Very high	26 Å²	26	80.5 Å²	80.5	10%	0.102	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.9	-174.7	170.3	-113.2	0	0	0	112	V253 S262 N298 C302 K308 V309 A311 P1122	V253-Y300 HydrophobicContact CG1-CD1 3.8Å; V253-Y300 HydrophobicContact CG1-CD2 3.84Å; V253-Y300 HydrophobicContact CG1-CE1 3.92Å; V253-Y300 HydrophobicContact CG1-CE2 4Å; V253-Y300 HydrophobicContact CG1-CG 3.76Å; S262-Y300 WeakPolarHBondContact CB-OH 3.08Å; N298-Y300 PolarHBondContact O-N 2.8Å; Y300-C302 HydrophobicContact CD1-CB 3.97Å; Y300-C302 VanDerWaalsContact CE1-CA 3.5Å; Y300-C302 HydrophobicContact CE1-CB 3.84Å; Y300-C302 PolarHBondContact O-N 2.79Å; Y300-C302 VanDerWaalsContact O-N 3.17Å; Y300-K308 CarbonylContact O-C 3.58Å; Y300-K308 WeakPolarHBondContact O-CA 3.46Å; Y300-V309 HydrophobicContact CD1-CG2 4.36Å; Y300-V309 PolarHBondContact N-O 2.89Å; Y300-V309 WeakPolarHBondContact O-CG2 3.42Å; Y300-V309 PolarHBondContact O-N 2.92Å; Y300-A311 HydrophobicContact CD1-CB 3.96Å; Y300-A311 HydrophobicContact CG-CB 4.11Å; Y300-P1122 HydrophobicContact CD2-CG 3.67Å; Y300-P1122 HydrophobicContact CE2-CG 4.16Å
301	M	93.9	Very high	93.7	Very high	92 Å²	92	74.1 Å²	74.1	45%	0.453	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	101	169.4	-174.6	179	-71.6	0	0	109.8	P1122	M301-P1122 HydrophobicContact CB-CB 4.47Å; M301-P1122 HydrophobicContact CB-CG 4.49Å
302	C	94.8	Very high	93.8	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	121.6	-176.5	172.6	0	0	0	0	111.8	C255 Y300 K304 C305 K306 K307 V309	C255-C302 HydrophobicContact CB-CB 4.48Å; Y300-C302 HydrophobicContact CD1-CB 3.97Å; Y300-C302 VanDerWaalsContact CE1-CA 3.5Å; Y300-C302 HydrophobicContact CE1-CB 3.84Å; Y300-C302 PolarHBondContact O-N 2.79Å; Y300-C302 VanDerWaalsContact O-N 3.17Å; C302-K304 VanDerWaalsContact C-N 3.31Å; C302-K304 PolarHBondContact O-N 2.77Å; C302-C305 HydrophobicContact CB-CB 4.08Å; C302-C305 PolarHBondContact O-N 2.84Å; C302-C305 PolarHBondContact SG-N 3.43Å; C302-K306 WeakPolarHBondContact O-CA 3.39Å; C302-K306 PolarHBondContact O-N 2.86Å; C302-K307 PolarHBondContact N-O 2.82Å; C302-V309 HydrophobicContact CB-CG2 3.54Å
303	A	93.9	Very high	93.9	Very high	84 Å²	84	69.5 Å²	69.5	69%	0.694	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-36.6	-179.7	0	0	0	0	0	114
304	K	94.8	Very high	93.9	Very high	167 Å²	167	70 Å²	70	73%	0.726	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-44	176.4	-66.7	-156.6	-177.9	-170	0	112.6	C302	C302-K304 VanDerWaalsContact C-N 3.31Å; C302-K304 PolarHBondContact O-N 2.77Å
305	C	93	Very high	94	Very high	36 Å²	36	72.8 Å²	72.8	24%	0.243	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-11	-179.5	-63.7	0	0	0	0	114.3	C258 C302 K307 V309	C258-C305 PolarHBondContact SG-SG 2.77Å; C302-C305 HydrophobicContact CB-CB 4.08Å; C302-C305 PolarHBondContact O-N 2.84Å; C302-C305 PolarHBondContact SG-N 3.43Å; C305-K307 HydrophobicContact CB-CG 4.17Å; C305-K307 PolarHBondContact O-N 2.78Å; C305-V309 HydrophobicContact CB-CG1 4.3Å
306	K	94.4	Very high	94.3	Very high	188 Å²	188	70.1 Å²	70.1	82%	0.817	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	17.4	-176.5	-57.4	179.9	-176.8	174.4	0	115.5	C302	C302-K306 WeakPolarHBondContact O-CA 3.39Å; C302-K306 PolarHBondContact O-N 2.86Å
307	K	94.3	Very high	94.5	Very high	125 Å²	125	67.2 Å²	67.2	54%	0.543	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	163.1	-180	68.1	-174	-177.8	179.7	0	112.4	C302 C305 V309	C302-K307 PolarHBondContact N-O 2.82Å; C305-K307 HydrophobicContact CB-CG 4.17Å; C305-K307 PolarHBondContact O-N 2.78Å; K307-V309 HydrophobicContact CG-CG1 3.82Å
308	K	95.4	Very high	94.7	Very high	119 Å²	119	59.7 Å²	59.7	52%	0.517	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	133.7	165.6	-82.3	-164.8	173.5	-168.7	0	109.1	E297 A299 Y300	E297-K308 PolarHBondContact O-NZ 2.72Å; A299-K308 HydrophobicContact CB-CB 4.2Å; A299-K308 HydrophobicContact CB-CD 4.39Å; Y300-K308 CarbonylContact O-C 3.58Å; Y300-K308 WeakPolarHBondContact O-CA 3.46Å
309	V	94.6	Very high	94.8	Very high	2 Å²	2	60 Å²	60	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152.6	-179.4	-62.1	0	0	0	0	110.2	I257 Y300 C302 C305 K307	I257-V309 HydrophobicContact CD1-CB 4.06Å; I257-V309 HydrophobicContact CD1-CG1 3.55Å; I257-V309 HydrophobicContact CG1-CB 4.25Å; I257-V309 HydrophobicContact CG1-CG1 4.15Å; Y300-V309 HydrophobicContact CD1-CG2 4.36Å; Y300-V309 PolarHBondContact N-O 2.89Å; Y300-V309 WeakPolarHBondContact O-CG2 3.42Å; Y300-V309 PolarHBondContact O-N 2.92Å; C302-V309 HydrophobicContact CB-CG2 3.54Å; C305-V309 HydrophobicContact CB-CG1 4.3Å; K307-V309 HydrophobicContact CG-CG1 3.82Å
310	P	96.3	Very high	94.8	Very high	64 Å²	64	60.8 Å²	60.8	42%	0.416	30%	0.296	S	S	.	.			trans	-56.2	140.5	163.2	-23.1	34.4	0	0	0	110.7	S256 L294	S256-P310 WeakPolarHBondContact CB-O 3.48Å; S256-P310 PolarHBondContact N-O 3.01Å; S256-P310 PolarHBondContact OG-O 3.31Å; L294-P310 VanDerWaalsContact O-CA 3.29Å; L294-P310 WeakPolarHBondContact O-CA 3.5Å
311	A	96.6	Very high	94.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	148.1	177.2	0	0	0	0	0	111.6	V253 K254 L294 Y300	V253-A311 HydrophobicContact CG1-CB 3.85Å; K254-A311 CarbonylContact O-C 3.59Å; K254-A311 VanDerWaalsContact O-CA 3.28Å; K254-A311 WeakPolarHBondContact O-CA 3.21Å; K254-A311 WeakPolarHBondContact O-CB 3.37Å; L294-A311 WeakPolarHBondContact CB-O 3.25Å; L294-A311 PolarHBondContact N-O 2.84Å; L294-A311 PolarHBondContact O-N 2.85Å; Y300-A311 HydrophobicContact CD1-CB 3.96Å; Y300-A311 HydrophobicContact CG-CB 4.11Å
312	T	96.7	Very high	95	Very high	51 Å²	51	56.8 Å²	56.8	31%	0.313	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129.8	170.6	-46.1	0	0	0	0	109.5	V253 K254 P291 D292	V253-T312 CarbonylContact C-O 3.55Å; V253-T312 WeakPolarHBondContact CA-O 3.39Å; K254-T312 PolarHBondContact N-O 3.18Å; K254-T312 PolarHBondContact O-N 2.87Å; P291-T312 HydrophobicContact CB-CG2 3.53Å; D292-T312 CarbonylContact O-C 3.56Å; D292-T312 WeakPolarHBondContact O-CA 3.39Å; D292-T312 WeakPolarHBondContact O-CG2 3.47Å
313	K	95.7	Very high	95.1	Very high	21 Å²	21	56.8 Å²	56.8	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	139.4	172.9	-178	165.2	-177.2	165.5	0	110.6	S251 R252 V253 P291 D292 L294 F315 S1119	S251-K313 VanDerWaalsContact OG-CE 3.31Å; S251-K313 WeakPolarHBondContact OG-CE 3.32Å; R252-K313 CarbonylContact O-C 3.51Å; R252-K313 WeakPolarHBondContact O-CA 3.31Å; V253-K313 HydrophobicContact CG2-CB 4.3Å; V253-K313 HydrophobicContact CG2-CD 4.04Å; V253-K313 HydrophobicContact CG2-CG 4Å; P291-K313 CarbonylContact C-O 3.54Å; P291-K313 WeakPolarHBondContact CA-O 3.24Å; D292-K313 PolarHBondContact N-O 3.17Å; D292-K313 PolarHBondContact O-N 3.36Å; L294-K313 HydrophobicContact CD1-CB 3.98Å; L294-K313 HydrophobicContact CD1-CD 4.17Å; L294-K313 HydrophobicContact CG-CB 4.12Å; K313-F315 HydrophobicContact CD-CE2 4.47Å; K313-F315 VanDerWaalsContact CE-CZ 3.48Å; K313-S1119 PolarHBondContact NZ-O 3.15Å
314	R	95.6	Very high	95.3	Very high	98 Å²	98	52.9 Å²	52.9	37%	0.37	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	136.2	175.9	-167.1	-174.5	-177.2	-166.5	-6	110.4	R252 V289 P291 T316	R252-R314 PolarHBondContact N-O 3.27Å; R252-R314 PolarHBondContact O-N 2.94Å; V289-R314 WeakPolarHBondContact O-CG 3.45Å; V289-R314 PolarHBondContact O-NE 3.42Å; V289-R314 PolarHBondContact O-NH2 2.82Å; P291-R314 HydrophobicContact CB-CB 4.5Å; P291-R314 HydrophobicContact CG-CG 4.32Å; R314-T316 HydrophobicContact CG-CG2 4.37Å
315	F	95.4	Very high	95.4	Very high	68 Å²	68	45 Å²	45	30%	0.298	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	145.3	165	-66.4	-86.9	0	0	0	110	R250 F288 V289 K313	R250-F315 WeakPolarHBondContact O-CA 3.45Å; F288-F315 HydrophobicContact CE1-CB 4.46Å; F288-F315 HydrophobicContact CZ-CB 4.39Å; V289-F315 VanDerWaalsContact CA-O 3.32Å; V289-F315 WeakPolarHBondContact CA-O 3.44Å; V289-F315 WeakPolarHBondContact CB-O 3.33Å; K313-F315 HydrophobicContact CD-CE2 4.47Å; K313-F315 VanDerWaalsContact CE-CZ 3.48Å
316	T	96.3	Very high	95.7	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.043	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	154.9	172.5	49.2	0	0	0	0	109.7	L249 R250 V289 R314 H318 S356	L249-T316 WeakPolarHBondContact CA-O 3.44Å; R250-T316 PolarHBondContact N-O 3.35Å; R250-T316 PolarHBondContact O-N 3.03Å; V289-T316 HydrophobicContact CB-CG2 4.49Å; R314-T316 HydrophobicContact CG-CG2 4.37Å; T316-H318 PolarHBondContact O-N 3.23Å; T316-S356 PolarHBondContact OG1-OG 3.46Å
317	V	95.8	Very high	95.7	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	114.8	175.2	-175.5	0	0	0	0	109.3	L249 Y268 I271 T320 Y354 M355 S356	L249-V317 HydrophobicContact CD2-CG2 4.16Å; Y268-V317 HydrophobicContact CE1-CG1 4.33Å; I271-V317 HydrophobicContact CD1-CG2 4.15Å; V317-T320 HydrophobicContact CG1-CG2 3.69Å; V317-Y354 PolarHBondContact N-O 3.34Å; V317-M355 HydrophobicContact CB-CG 4.28Å; V317-M355 CarbonylContact O-C 3.56Å; V317-M355 WeakPolarHBondContact O-CA 3.32Å; V317-M355 WeakPolarHBondContact O-CB 3.32Å; V317-S356 PolarHBondContact O-N 3.14Å
318	H	94.8	Very high	95.8	Very high	17 Å²	17	28.5 Å²	28.5	8%	0.079	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-52.4	-175.4	178.7	47.7	0	0	0	112.4	D95 Y248 R250 Y265 T316	D95-H318 PolarHBondContact O-CE1 3.31Å; D95-H318 VanDerWaalsContact O-CE1 3.25Å; D95-H318 PolarHBondContact O-NE2 2.86Å; D95-H318 IonicContact OD1-NE2 3.45Å; D95-H318 IonicContact OD2-NE2 2.78Å; Y248-H318 WeakPolarHBondContact O-CA 3.41Å; Y248-H318 WeakPolarHBondContact O-CB 3.17Å; Y248-H318 PolarHBondContact O-N 3.11Å; R250-H318 HydrophobicContact CB-CB 3.97Å; Y265-H318 HydrophobicContact CD1-CB 4.27Å; Y265-H318 AromaticContact CD1-CD2 3.42Å; Y265-H318 VanDerWaalsContact CD1-CD2 3.42Å; Y265-H318 WeakPolarHBondContact CD1-CD2 3.43Å; Y265-H318 AromaticContact CD1-CG 3.84Å; Y265-H318 AromaticContact CD1-NE2 3.98Å; Y265-H318 HydrophobicContact CE1-CB 4.34Å; Y265-H318 AromaticContact CE1-CD2 3.44Å; Y265-H318 VanDerWaalsContact CE1-CD2 3.44Å; Y265-H318 WeakPolarHBondContact CE1-CD2 3.43Å; Y265-H318 AromaticContact CE1-CE1 3.92Å; Y265-H318 AromaticContact CE1-CG 3.65Å; Y265-H318 AromaticContact CE1-ND1 3.95Å; Y265-H318 AromaticContact CE1-NE2 3.62Å; T316-H318 PolarHBondContact O-N 3.23Å
319	R	92.6	Very high	95.7	Very high	84 Å²	84	26.6 Å²	26.6	32%	0.317	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.1	168.7	-62.1	-179.1	-179.8	173	-0.7	107.6	D95 V97 G247 Y248	D95-R319 IonicContact OD1-CZ 2.91Å; D95-R319 IonicContact OD1-NH2 2.89Å; D95-R319 PolarHBondContact OD1-NH2 3.48Å; D95-R319 IonicContact OD2-CZ 3.3Å; D95-R319 IonicContact OD2-NE 3.82Å; D95-R319 PolarHBondContact OD2-NE 3.26Å; D95-R319 IonicContact OD2-NH2 3.41Å; D95-R319 PolarHBondContact OD2-NH2 3.1Å; V97-R319 PolarHBondContact O-NH2 2.83Å; G247-R319 CarbonylContact C-O 3.54Å; G247-R319 WeakPolarHBondContact CA-O 3.39Å; Y248-R319 HydrophobicContact CD2-CB 4.08Å; Y248-R319 HydrophobicContact CD2-CG 4.36Å; Y248-R319 PolarHBondContact N-O 3.12Å; Y248-R319 PolarHBondContact O-N 3.31Å
320	T	92.8	Very high	95.5	Very high	26 Å²	26	26.6 Å²	26.6	16%	0.16	13%	0.127	C	C	.	.			trans	-86.7	139.3	-177.2	50.4	0	0	0	0	111.6	V317 I351 M355 Y365	V317-T320 HydrophobicContact CG1-CG2 3.69Å; T320-I351 HydrophobicContact CG2-CG2 3.63Å; T320-M355 HydrophobicContact CG2-CE 3.77Å; T320-M355 HydrophobicContact CG2-CG 4.14Å; T320-M355 HydrophobicContact CG2-SD 3.66Å; T320-Y365 WeakPolarHBondContact CB-OH 3.26Å
321	S	95	Very high	94.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.115	C	C	.	.			trans	-74.1	149.8	173.9	57	0	0	0	0	112.8	F245 G246 Y268 V323 Y365	F245-S321 WeakPolarHBondContact O-CB 3.16Å; G246-S321 WeakPolarHBondContact O-CA 3.3Å; G246-S321 WeakPolarHBondContact O-CB 3.42Å; Y268-S321 PolarHBondContact OH-N 3.22Å; Y268-S321 VanDerWaalsContact OH-N 3.12Å; Y268-S321 PolarHBondContact OH-OG 3.06Å; S321-V323 VanDerWaalsContact C-N 3.33Å; S321-V323 WeakPolarHBondContact CB-O 3.28Å; S321-V323 PolarHBondContact OG-O 2.77Å; S321-Y365 WeakPolarHBondContact O-CE1 3.46Å; S321-Y365 PolarHBondContact O-OH 2.79Å
322	N	96	Very high	93.5	Very high	34 Å²	34	25.8 Å²	25.8	18%	0.182	12%	0.119	C	C	.	.	S	Bend	trans	-70.3	-32.5	178	-79.5	-42	0	0	0	112.4	L112 Q243 I244 R422	L112-N322 HydrophobicContact CD2-CB 3.75Å; Q243-N322 PolarHBondContact O-ND2 3.34Å; I244-N322 PolarHBondContact O-N 3.4Å; I244-N322 VanDerWaalsContact O-N 3.15Å; N322-R422 WeakPolarHBondContact O-CB 3.44Å; N322-R422 PolarHBondContact O-N 2.97Å
323	V	97.5	Very high	91.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.2	164.1	174.7	0	0	0	0	107.7	T143 P145 I244 F245 S321 Y368 Y420 L421	T143-V323 HydrophobicContact CG2-CG2 3.86Å; P145-V323 HydrophobicContact CG-CG2 4.15Å; I244-V323 HydrophobicContact CG2-CB 3.97Å; I244-V323 HydrophobicContact CG2-CG2 3.61Å; I244-V323 PolarHBondContact O-N 3Å; F245-V323 HydrophobicContact CD1-CB 3.92Å; F245-V323 HydrophobicContact CD1-CG1 3.65Å; F245-V323 HydrophobicContact CE1-CB 4.14Å; F245-V323 HydrophobicContact CE1-CG1 3.62Å; S321-V323 VanDerWaalsContact C-N 3.33Å; S321-V323 WeakPolarHBondContact CB-O 3.28Å; S321-V323 PolarHBondContact OG-O 2.77Å; V323-Y368 HydrophobicContact CG1-CE1 4.09Å; V323-Y368 VanDerWaalsContact CG1-OH 3.3Å; V323-Y368 WeakPolarHBondContact CG1-OH 3.46Å; V323-Y420 CarbonylContact C-O 3.56Å; V323-Y420 WeakPolarHBondContact CA-O 3.24Å; V323-L421 HydrophobicContact CG2-CD1 3.93Å
324	L	97.6	Very high	89.9	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	104.8	178.9	176.5	64	0	0	0	109.4	Y268 I271 L326 L349 I351 Y365 Y420	Y268-L324 HydrophobicContact CE2-CD1 4.29Å; I271-L324 HydrophobicContact CD1-CD1 3.97Å; I271-L324 HydrophobicContact CG1-CD1 4.4Å; L324-L326 HydrophobicContact CD1-CD2 3.83Å; L324-L326 HydrophobicContact CD2-CD2 4.18Å; L324-L326 HydrophobicContact CD2-CG 4.46Å; L324-L326 HydrophobicContact CG-CD2 3.86Å; L324-L326 HydrophobicContact CG-CG 4.14Å; L324-L349 HydrophobicContact CD2-CD2 4.35Å; L324-I351 HydrophobicContact CD2-CD1 3.76Å; L324-I351 HydrophobicContact CD2-CG1 4.31Å; L324-Y365 HydrophobicContact CB-CD1 3.91Å; L324-Y365 HydrophobicContact CB-CE1 3.64Å; L324-Y420 PolarHBondContact N-O 3.42Å; L324-Y420 PolarHBondContact O-N 2.78Å
325	T	97.8	Very high	88.2	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.1	174	-51.2	0	0	0	0	109.6	L213 D270 I271 V417 F419	L213-T325 HydrophobicContact CD2-CG2 4Å; D270-T325 WeakPolarHBondContact CA-O 3.37Å; D270-T325 HydrophobicContact CB-CG2 4.2Å; I271-T325 PolarHBondContact N-O 3.3Å; T325-V417 HydrophobicContact CG2-CG1 3.63Å; T325-F419 HydrophobicContact CG2-CD1 4.22Å; T325-F419 HydrophobicContact CG2-CE1 3.95Å; T325-F419 HydrophobicContact CG2-CZ 4.44Å
326	L	97.8	Very high	86.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.3	175.1	-57.1	-178.3	0	0	0	109.9	I271 I281 L324 L349 V417 L418 Y420	I271-L326 HydrophobicContact CB-CD2 3.93Å; I271-L326 WeakPolarHBondContact O-CA 3.48Å; I281-L326 HydrophobicContact CG2-CD1 3.67Å; L324-L326 HydrophobicContact CD1-CD2 3.83Å; L324-L326 HydrophobicContact CD2-CD2 4.18Å; L324-L326 HydrophobicContact CD2-CG 4.46Å; L324-L326 HydrophobicContact CG-CD2 3.86Å; L324-L326 HydrophobicContact CG-CG 4.14Å; L326-L349 HydrophobicContact CD1-CD2 4.11Å; L326-V417 WeakPolarHBondContact O-CA 3.37Å; L326-L418 HydrophobicContact CB-CB 4.36Å; L326-L418 PolarHBondContact N-O 2.81Å; L326-L418 PolarHBondContact O-N 3.44Å; L326-Y420 HydrophobicContact CD1-CD2 4.14Å; L326-Y420 HydrophobicContact CD1-CE2 4Å; L326-Y420 HydrophobicContact CG-CD2 4.47Å
327	S	96	Very high	85.7	Confident	4 Å²	4	36.6 Å²	36.6	3%	0.028	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.4	174.2	176	0	0	0	0	109.6	H210 I271 A272 V273	H210-S327 PolarHBondContact CE1-OG 3.26Å; H210-S327 PolarHBondContact ND1-OG 2.82Å; H210-S327 WeakPolarHBondContact NE2-CB 3.4Å; I271-S327 PolarHBondContact O-N 3.27Å; A272-S327 CarbonylContact C-O 3.56Å; A272-S327 WeakPolarHBondContact CA-O 3.37Å; V273-S327 PolarHBondContact N-O 3.08Å
328	L	95.5	Very high	85.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	117.7	179.1	-50.7	-161.3	0	0	0	108.6	V273 I275 I281 R330 V343 A415 Y416 L418	V273-L328 HydrophobicContact CG2-CD2 3.46Å; V273-L328 VanDerWaalsContact CG2-CD2 3.46Å; I275-L328 HydrophobicContact CD1-CB 4.46Å; I275-L328 HydrophobicContact CG2-CB 4.09Å; I275-L328 HydrophobicContact CG2-CD1 4.46Å; I275-L328 HydrophobicContact CG2-CD2 4.39Å; I281-L328 HydrophobicContact CD1-CD1 3.88Å; I281-L328 HydrophobicContact CD1-CD2 3.4Å; I281-L328 VanDerWaalsContact CD1-CD2 3.4Å; I281-L328 HydrophobicContact CD1-CG 4.33Å; L328-R330 HydrophobicContact CB-CG 4.47Å; L328-R330 PolarHBondContact O-N 3.27Å; L328-V343 HydrophobicContact CD1-CG1 4.44Å; L328-A415 WeakPolarHBondContact CD1-O 3.13Å; L328-Y416 WeakPolarHBondContact CB-O 3.29Å; L328-Y416 PolarHBondContact N-O 2.93Å; L328-Y416 WeakPolarHBondContact O-CE2 3.39Å; L328-L418 HydrophobicContact CD2-CD1 4.36Å
329	K	92.9	Very high	85.1	Confident	79 Å²	79	38.1 Å²	38.1	34%	0.343	21%	0.206	S	C	.	.			trans	-69.3	74.9	179.4	-65.6	170.8	175.6	174.2	0	111.9	A272 V273 E274	A272-K329 HydrophobicContact CB-CG 4.4Å; V273-K329 WeakPolarHBondContact O-CB 3.44Å; V273-K329 WeakPolarHBondContact O-CG 3.31Å; V273-K329 PolarHBondContact O-N 3.23Å; E274-K329 WeakPolarHBondContact OE2-CD 3.35Å; E274-K329 IonicContact OE2-NZ 2.6Å; E274-K329 PolarHBondContact OE2-NZ 3.44Å
330	R	90.9	Very high	84.9	Confident	1 Å²	1	37.1 Å²	37.1	0%	0.004	21%	0.209	C	C	.	.			trans	-79.1	-29.9	178.1	-73.3	-170.4	-179.1	-79.3	-1.2	113	I275 L328 K338 I339 K341 A415 Y416	I275-R330 HydrophobicContact CD1-CB 4.48Å; I275-R330 HydrophobicContact CD1-CG 3.6Å; L328-R330 HydrophobicContact CB-CG 4.47Å; L328-R330 PolarHBondContact O-N 3.27Å; R330-K338 HydrophobicContact CB-CG 4.27Å; R330-K338 CarbonylContact O-C 3.54Å; R330-K338 WeakPolarHBondContact O-CA 3.41Å; R330-I339 PolarHBondContact NH1-O 2.96Å; R330-I339 WeakPolarHBondContact O-CG1 3.45Å; R330-I339 PolarHBondContact O-N 2.91Å; R330-K341 PolarHBondContact NH1-O 3.46Å; R330-A415 VanDerWaalsContact CZ-O 3.29Å; R330-A415 PolarHBondContact NE-O 2.94Å; R330-A415 PolarHBondContact NH2-O 3.15Å; R330-Y416 HydrophobicContact CB-CD2 4.28Å; R330-Y416 HydrophobicContact CG-CD2 4.35Å
331	F	83.9	Confident	84.8	Confident	37 Å²	37	40.2 Å²	40.2	16%	0.162	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-93.1	142.3	-176.6	-54.3	-58.8	0	0	0	111.8	K338 H373 C378 Y416	F331-K338 HydrophobicContact CD1-CB 4.03Å; F331-K338 HydrophobicContact CD1-CG 4.13Å; F331-K338 HydrophobicContact CE1-CB 3.96Å; F331-K338 HydrophobicContact CE1-CD 4.32Å; F331-K338 HydrophobicContact CE1-CG 3.78Å; F331-H373 AromaticContact CZ-ND1 3.6Å; F331-C378 HydrophobicContact CB-CB 4.34Å; F331-C378 HydrophobicContact CD1-CB 3.55Å; F331-C378 HydrophobicContact CD2-CB 4.48Å; F331-C378 HydrophobicContact CE1-CB 3.86Å; F331-C378 HydrophobicContact CG-CB 3.89Å; F331-C378 HydrophobicContact CZ-CB 4.45Å; F331-Y416 AromaticContact CD2-CE2 3.97Å; F331-Y416 HydrophobicContact CD2-CE2 3.97Å; F331-Y416 HydrophobicContact CE2-CD2 4.36Å; F331-Y416 HydrophobicContact CE2-CE1 4.29Å; F331-Y416 AromaticContact CE2-CE2 3.69Å; F331-Y416 HydrophobicContact CE2-CE2 3.69Å; F331-Y416 AromaticContact CE2-CZ 3.67Å
332	A	67.9	Low	84.7	Confident	11 Å²	11	45.1 Å²	45.1	9%	0.091	25%	0.246	C	C	.	.			trans	-118.4	111.1	-176.2	0	0	0	0	0	111.7	R276 F334 S335 G336 G337	R276-A332 VanDerWaalsContact NH2-CB 3.29Å; A332-F334 PolarHBondContact O-N 3.48Å; A332-S335 PolarHBondContact O-N 2.76Å; A332-S335 VanDerWaalsContact O-N 3.17Å; A332-G336 PolarHBondContact O-N 3.15Å; A332-G337 PolarHBondContact N-O 3.37Å
333	N	57.7	Low	84.7	Confident	108 Å²	108	43.8 Å²	43.8	58%	0.578	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-25	-172.2	-50.7	-10	0	0	0	116.1	Q1109 D1113	N333-Q1109 VanDerWaalsContact ND2-CD 3.29Å; N333-Q1109 VanDerWaalsContact ND2-CG 3.28Å; N333-Q1109 WeakPolarHBondContact ND2-CG 3.16Å; N333-Q1109 PolarHBondContact ND2-NE2 2.97Å; N333-D1113 PolarHBondContact ND2-OD2 2.79Å; N333-D1113 VanDerWaalsContact ND2-OD2 3.15Å
334	F	57.3	Low	84.7	Confident	214 Å²	214	45.6 Å²	45.6	94%	0.939	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-21.8	-172.3	-169.8	-100.4	0	0	0	113.9	A332	A332-F334 PolarHBondContact O-N 3.48Å
335	S	59.7	Low	84.7	Confident	87 Å²	87	46 Å²	46	61%	0.608	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	-2.6	-171.2	61.4	0	0	0	0	114.4	A332 G337	A332-S335 PolarHBondContact O-N 2.76Å; A332-S335 VanDerWaalsContact O-N 3.17Å; S335-G337 PolarHBondContact O-N 3.38Å
336	G	64.1	Low	84.6	Confident	30 Å²	30	47.9 Å²	47.9	31%	0.309	27%	0.271	S	S	.	.			trans	67.4	-25	-177.5	0	0	0	0	0	115.6	A332 C378	A332-G336 PolarHBondContact O-N 3.15Å; G336-C378 PolarHBondContact O-SG 3.08Å
337	G	76.4	Confident	84.5	Confident	33 Å²	33	49.7 Å²	49.7	34%	0.34	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-65	143.2	-176.8	0	0	0	0	0	114.6	A332 S335	A332-G337 PolarHBondContact N-O 3.37Å; S335-G337 PolarHBondContact O-N 3.38Å
338	K	88.4	Confident	84.6	Confident	19 Å²	19	54.7 Å²	54.7	8%	0.083	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-86.3	135	168.5	-177.4	-163.9	177.8	-161.6	0	110.2	R330 F331 T340 H373 G375 Y376	R330-K338 HydrophobicContact CB-CG 4.27Å; R330-K338 CarbonylContact O-C 3.54Å; R330-K338 WeakPolarHBondContact O-CA 3.41Å; F331-K338 HydrophobicContact CD1-CB 4.03Å; F331-K338 HydrophobicContact CD1-CG 4.13Å; F331-K338 HydrophobicContact CE1-CB 3.96Å; F331-K338 HydrophobicContact CE1-CD 4.32Å; F331-K338 HydrophobicContact CE1-CG 3.78Å; K338-T340 HydrophobicContact CD-CG2 4.15Å; K338-T340 PolarHBondContact O-N 3.32Å; K338-H373 PolarHBondContact NZ-O 2.91Å; K338-G375 WeakPolarHBondContact CD-O 3.32Å; K338-G375 WeakPolarHBondContact CE-O 3.42Å; K338-G375 PolarHBondContact NZ-O 3.41Å; K338-Y376 VanDerWaalsContact CB-O 3.27Å; K338-Y376 WeakPolarHBondContact CB-O 3.5Å; K338-Y376 PolarHBondContact N-O 2.78Å
339	I	88.9	Confident	84.7	Confident	32 Å²	32	54.9 Å²	54.9	16%	0.164	30%	0.302	C	S	.	.			trans	-70.9	96.2	164	-60	170.6	0	0	0	107.6	I275 R276 R330 K341	I275-I339 HydrophobicContact CD1-CB 4.17Å; I275-I339 HydrophobicContact CD1-CD1 4.36Å; I275-I339 HydrophobicContact CD1-CG2 3.86Å; I275-I339 HydrophobicContact CG1-CD1 4.11Å; I275-I339 HydrophobicContact CG1-CG2 4.41Å; R276-I339 HydrophobicContact CG-CD1 3.61Å; R330-I339 PolarHBondContact NH1-O 2.96Å; R330-I339 WeakPolarHBondContact O-CG1 3.45Å; R330-I339 PolarHBondContact O-N 2.91Å; I339-K341 VanDerWaalsContact C-N 3.26Å; I339-K341 HydrophobicContact CG2-CB 3.73Å
340	T	89.4	Confident	84.8	Confident	62 Å²	62	53.7 Å²	53.7	38%	0.38	30%	0.3	S	S	.	.			trans	-78.3	-5.8	173.6	48.8	0	0	0	0	113.4	K338 D342 Y376 Q414	K338-T340 HydrophobicContact CD-CG2 4.15Å; K338-T340 PolarHBondContact O-N 3.32Å; T340-D342 PolarHBondContact O-N 3.25Å; T340-Y376 HydrophobicContact CG2-CD1 4.16Å; T340-Q414 PolarHBondContact O-NE2 3Å; T340-Q414 PolarHBondContact O-OE1 3.02Å
341	K	91.1	Very high	85.1	Confident	91 Å²	91	53.8 Å²	53.8	40%	0.396	30%	0.3	S	S	.	.			trans	-53.3	133.2	175.2	-170.7	-162.3	178.6	-178.1	0	111.2	A278 R330 I339	A278-K341 PolarHBondContact O-NZ 2.95Å; R330-K341 PolarHBondContact NH1-O 3.46Å; I339-K341 VanDerWaalsContact C-N 3.26Å; I339-K341 HydrophobicContact CG2-CB 3.73Å
342	D	92.1	Very high	85.6	Confident	104 Å²	104	53.7 Å²	53.7	56%	0.556	30%	0.299	S	S	*	.			trans	-68.4	142.1	172.2	-57.2	-44	0	0	0	110.8	T340 Q414	T340-D342 PolarHBondContact O-N 3.25Å; D342-Q414 VanDerWaalsContact OD1-CG 3.25Å; D342-Q414 WeakPolarHBondContact OD1-CG 3.29Å; D342-Q414 PolarHBondContact OD1-NE2 2.89Å
343	V	95.4	Very high	86.9	Confident	6 Å²	6	56.5 Å²	56.5	4%	0.036	32%	0.316	C	S	.	.			trans	-136.4	108.1	-176.9	179.1	0	0	0	0	107	I275 A279 I281 L328 Y345	I275-V343 HydrophobicContact CB-CG2 4.14Å; I275-V343 HydrophobicContact CD1-CG2 4.18Å; I275-V343 HydrophobicContact CG2-CG1 4.4Å; I275-V343 HydrophobicContact CG2-CG2 4.39Å; A279-V343 WeakPolarHBondContact O-CA 3.49Å; I281-V343 HydrophobicContact CD1-CG1 3.77Å; I281-V343 HydrophobicContact CG1-CG1 4.43Å; L328-V343 HydrophobicContact CD1-CG1 4.44Å; V343-Y345 VanDerWaalsContact O-CD1 3.23Å; V343-Y345 WeakPolarHBondContact O-CD1 3.28Å
344	G	96.8	Very high	88.7	Confident	37 Å²	37	52 Å²	52	38%	0.381	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-67.1	138.4	-176.7	0	0	0	0	0	112.9	A279 N280 I281	A279-G344 PolarHBondContact O-N 3.32Å; N280-G344 CarbonylContact C-O 3.55Å; N280-G344 WeakPolarHBondContact CA-O 3.4Å; N280-G344 WeakPolarHBondContact CB-O 3.05Å; I281-G344 PolarHBondContact N-O 2.86Å
345	Y	97.7	Very high	90.5	Very high	10 Å²	10	42.6 Å²	42.6	4%	0.039	25%	0.25	C	S	.	.			trans	-129.5	139.6	171.4	39.6	-82.3	0	0	0	109.4	V343 L367 V370 V410 L411 Q413 A415 L418	V343-Y345 VanDerWaalsContact O-CD1 3.23Å; V343-Y345 WeakPolarHBondContact O-CD1 3.28Å; Y345-L367 HydrophobicContact CD2-CD2 3.82Å; Y345-L367 HydrophobicContact CE2-CD2 4.07Å; Y345-V370 HydrophobicContact CE2-CG1 4.36Å; Y345-V370 HydrophobicContact CE2-CG2 3.97Å; Y345-V410 PolarHBondContact OH-O 3.42Å; Y345-L411 HydrophobicContact CD2-CD2 3.83Å; Y345-L411 HydrophobicContact CE2-CD2 3.96Å; Y345-Q413 WeakPolarHBondContact CE1-O 3.44Å; Y345-Q413 WeakPolarHBondContact OH-CB 3.46Å; Y345-Q413 PolarHBondContact OH-N 2.86Å; Y345-Q413 PolarHBondContact OH-O 2.81Å; Y345-A415 HydrophobicContact CD1-CB 4.12Å; Y345-A415 HydrophobicContact CE1-CB 3.43Å; Y345-A415 VanDerWaalsContact CE1-CB 3.43Å; Y345-L418 HydrophobicContact CD1-CD1 4.04Å; Y345-L418 HydrophobicContact CD1-CD2 4Å; Y345-L418 HydrophobicContact CD2-CD2 3.66Å; Y345-L418 HydrophobicContact CE1-CD2 4.21Å; Y345-L418 HydrophobicContact CE2-CD2 3.83Å; Y345-L418 HydrophobicContact CG-CD1 3.87Å; Y345-L418 HydrophobicContact CG-CD2 3.76Å; Y345-L418 HydrophobicContact CG-CG 4.5Å
346	P	96.9	Very high	92	Very high	40 Å²	40	40 Å²	40	26%	0.26	23%	0.232	S	C	.	.			trans	-80.7	157.2	175.6	35	-36.1	0	0	0	111.1	F348 L349 Y420	P346-F348 VanDerWaalsContact CB-O 3.3Å; P346-F348 WeakPolarHBondContact CB-O 3.35Å; P346-F348 VanDerWaalsContact CG-O 3.27Å; P346-F348 WeakPolarHBondContact CG-O 3.24Å; P346-F348 PolarHBondContact O-N 2.79Å; P346-L349 HydrophobicContact CG-CB 4.32Å; P346-L349 HydrophobicContact CG-CD1 4.37Å; P346-Y420 PolarHBondContact O-OH 2.9Å
347	E	96.3	Very high	93.1	Very high	38 Å²	38	44.3 Å²	44.3	18%	0.178	24%	0.244	C	C	.	.	S	Bend	trans	-65.4	-31.9	164.9	-174.2	171.6	-154.3	0	0	111.1	G366 L367 K388 I407	E347-G366 CarbonylContact O-C 3.6Å; E347-G366 WeakPolarHBondContact O-CA 3.37Å; E347-L367 HydrophobicContact CG-CB 4.4Å; E347-L367 WeakPolarHBondContact O-CB 3.06Å; E347-L367 PolarHBondContact O-N 3.24Å; E347-K388 IonicContact OE1-NZ 3.74Å; E347-K388 PolarHBondContact OE1-NZ 2.95Å; E347-I407 HydrophobicContact CB-CD1 4.19Å; E347-I407 HydrophobicContact CG-CD1 4.09Å
348	F	97.6	Very high	93.5	Very high	110 Å²	110	46.5 Å²	46.5	48%	0.482	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.5	-179.9	-61.8	-76.9	0	0	0	112	P346 M364 Y365 I423	P346-F348 VanDerWaalsContact CB-O 3.3Å; P346-F348 WeakPolarHBondContact CB-O 3.35Å; P346-F348 VanDerWaalsContact CG-O 3.27Å; P346-F348 WeakPolarHBondContact CG-O 3.24Å; P346-F348 PolarHBondContact O-N 2.79Å; F348-M364 HydrophobicContact CB-CE 4.07Å; F348-Y365 CarbonylContact C-O 3.5Å; F348-Y365 VanDerWaalsContact CA-O 3.29Å; F348-Y365 WeakPolarHBondContact CA-O 3.45Å; F348-I423 HydrophobicContact CD1-CD1 3.71Å; F348-I423 HydrophobicContact CE1-CD1 3.8Å
349	L	97	Very high	93.3	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.1	-176	179	64.4	0	0	0	110.7	L285 L324 L326 P346 Y365 Y420	L285-L349 HydrophobicContact CD1-CD1 4.18Å; L285-L349 HydrophobicContact CD1-CD2 4.12Å; L324-L349 HydrophobicContact CD2-CD2 4.35Å; L326-L349 HydrophobicContact CD1-CD2 4.11Å; P346-L349 HydrophobicContact CG-CB 4.32Å; P346-L349 HydrophobicContact CG-CD1 4.37Å; L349-Y365 PolarHBondContact N-O 2.75Å; L349-Y365 PolarHBondContact O-N 3.49Å; L349-Y420 HydrophobicContact CB-CD1 3.98Å; L349-Y420 HydrophobicContact CB-CE1 3.63Å; L349-Y420 HydrophobicContact CD2-CD1 4.39Å; L349-Y420 HydrophobicContact CD2-CD2 4.24Å; L349-Y420 HydrophobicContact CD2-CE1 4.2Å; L349-Y420 HydrophobicContact CD2-CE2 4.05Å; L349-Y420 HydrophobicContact CD2-CG 4.4Å
350	N	95.9	Very high	93.1	Very high	54 Å²	54	51.2 Å²	51.2	29%	0.289	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.3	169.5	-177.5	2	0	0	0	109.5	R352 V363 M364	N350-R352 VanDerWaalsContact OD1-CB 3.27Å; N350-R352 WeakPolarHBondContact OD1-CB 3.35Å; N350-R352 PolarHBondContact OD1-N 3.34Å; N350-V363 PolarHBondContact OD1-N 3.34Å; N350-M364 HydrophobicContact CB-SD 3.65Å
351	I	95.7	Very high	93	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	31%	0.311	C	S	.	.			trans	-89.9	-13.5	-179.7	-154	70.2	0	0	0	113.4	L285 T320 L324 P353 Y354 M355 V363 Y365	L285-I351 HydrophobicContact CD1-CD1 4.01Å; T320-I351 HydrophobicContact CG2-CG2 3.63Å; L324-I351 HydrophobicContact CD2-CD1 3.76Å; L324-I351 HydrophobicContact CD2-CG1 4.31Å; I351-P353 VanDerWaalsContact C-CD 3.44Å; I351-Y354 HydrophobicContact CD1-CD2 3.93Å; I351-Y354 HydrophobicContact CG1-CD2 4.43Å; I351-Y354 WeakPolarHBondContact O-CD2 3.04Å; I351-Y354 PolarHBondContact O-N 3.34Å; I351-M355 HydrophobicContact CG2-CG 4.42Å; I351-M355 HydrophobicContact CG2-SD 4.13Å; I351-V363 HydrophobicContact CG2-CB 3.87Å; I351-V363 HydrophobicContact CG2-CG1 3.87Å; I351-V363 PolarHBondContact N-O 2.79Å; I351-Y365 HydrophobicContact CB-CD2 4.34Å; I351-Y365 HydrophobicContact CB-CE2 4.09Å; I351-Y365 HydrophobicContact CG2-CD2 4.26Å; I351-Y365 HydrophobicContact CG2-CE2 3.61Å
352	R	94.8	Very high	93.1	Very high	36 Å²	36	52.6 Å²	52.6	14%	0.136	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-50.3	-43.6	-174.7	175.7	67	75.6	172.5	5.8	114.5	N350 Y354 M355 Q357 S359 G360 D361	N350-R352 VanDerWaalsContact OD1-CB 3.27Å; N350-R352 WeakPolarHBondContact OD1-CB 3.35Å; N350-R352 PolarHBondContact OD1-N 3.34Å; R352-Y354 PolarHBondContact O-N 3.5Å; R352-Y354 VanDerWaalsContact O-N 3.12Å; R352-M355 WeakPolarHBondContact O-CB 3.2Å; R352-M355 PolarHBondContact O-N 3.23Å; R352-M355 VanDerWaalsContact O-N 3.11Å; R352-Q357 VanDerWaalsContact CD-O 3.27Å; R352-Q357 WeakPolarHBondContact CD-O 3.23Å; R352-Q357 PolarHBondContact NH1-O 3.35Å; R352-S359 PolarHBondContact NH1-O 3.28Å; R352-G360 PolarHBondContact NE-O 3.3Å; R352-D361 VanDerWaalsContact CZ-O 3.28Å; R352-D361 PolarHBondContact NE-O 3.48Å; R352-D361 PolarHBondContact NH2-O 2.85Å
353	P	95.2	Very high	93.2	Very high	69 Å²	69	47.9 Å²	47.9	45%	0.448	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-61.3	-22.7	-179.6	-24.6	35.9	0	0	0	114.5	I351	I351-P353 VanDerWaalsContact C-CD 3.44Å
354	Y	95.1	Very high	93.2	Very high	13 Å²	13	50.6 Å²	50.6	5%	0.051	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-95.7	-1.9	-177.1	-46.5	-67.6	0	0	0	112.9	V282 L285 E286 V289 V317 I351 R352	V282-Y354 VanDerWaalsContact CG1-OH 3.26Å; V282-Y354 WeakPolarHBondContact CG1-OH 3.27Å; V282-Y354 PolarHBondContact O-OH 2.97Å; L285-Y354 VanDerWaalsContact C-CE1 3.49Å; L285-Y354 HydrophobicContact CB-CD1 3.63Å; L285-Y354 HydrophobicContact CB-CD2 4.05Å; L285-Y354 HydrophobicContact CB-CE1 3.5Å; L285-Y354 VanDerWaalsContact CB-CE1 3.5Å; L285-Y354 HydrophobicContact CB-CE2 3.91Å; L285-Y354 HydrophobicContact CB-CG 3.9Å; L285-Y354 HydrophobicContact CD1-CD2 4.11Å; L285-Y354 HydrophobicContact CD1-CE2 3.92Å; E286-Y354 HydrophobicContact CB-CE1 4.42Å; E286-Y354 HydrophobicContact CG-CE1 3.85Å; E286-Y354 VanDerWaalsContact N-CE1 3.34Å; V289-Y354 HydrophobicContact CG1-CD1 4.29Å; V289-Y354 HydrophobicContact CG2-CD1 3.9Å; V317-Y354 PolarHBondContact N-O 3.34Å; I351-Y354 HydrophobicContact CD1-CD2 3.93Å; I351-Y354 HydrophobicContact CG1-CD2 4.43Å; I351-Y354 WeakPolarHBondContact O-CD2 3.04Å; I351-Y354 PolarHBondContact O-N 3.34Å; R352-Y354 PolarHBondContact O-N 3.5Å; R352-Y354 VanDerWaalsContact O-N 3.12Å
355	M	95.3	Very high	93.3	Very high	18 Å²	18	48.9 Å²	48.9	9%	0.089	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-81.8	158.2	-178	-67.7	-177.4	66.5	0	0	113	V317 T320 I351 R352 Q357 V363	V317-M355 HydrophobicContact CB-CG 4.28Å; V317-M355 CarbonylContact O-C 3.56Å; V317-M355 WeakPolarHBondContact O-CA 3.32Å; V317-M355 WeakPolarHBondContact O-CB 3.32Å; T320-M355 HydrophobicContact CG2-CE 3.77Å; T320-M355 HydrophobicContact CG2-CG 4.14Å; T320-M355 HydrophobicContact CG2-SD 3.66Å; I351-M355 HydrophobicContact CG2-CG 4.42Å; I351-M355 HydrophobicContact CG2-SD 4.13Å; R352-M355 WeakPolarHBondContact O-CB 3.2Å; R352-M355 PolarHBondContact O-N 3.23Å; R352-M355 VanDerWaalsContact O-N 3.11Å; M355-Q357 PolarHBondContact O-N 2.94Å; M355-V363 HydrophobicContact SD-CB 4.46Å; M355-V363 HydrophobicContact SD-CG2 4.05Å
356	S	92.1	Very high	93.3	Very high	31 Å²	31	49 Å²	49	22%	0.217	29%	0.288	C	S	.	.	S	Bend	trans	-63.9	-24.7	170.4	-55.1	0	0	0	0	112.7	R250 T316 V317	R250-S356 WeakPolarHBondContact CB-OG 3.31Å; R250-S356 WeakPolarHBondContact CD-OG 3.43Å; T316-S356 PolarHBondContact OG1-OG 3.46Å; V317-S356 PolarHBondContact O-N 3.14Å
357	Q	88	Confident	93.3	Very high	121 Å²	121	47.2 Å²	47.2	57%	0.565	28%	0.276	S	S	*	.			trans	-114.3	82.9	171.3	-69.5	178.3	-6.8	0	0	108.2	R352 M355 S359	R352-Q357 VanDerWaalsContact CD-O 3.27Å; R352-Q357 WeakPolarHBondContact CD-O 3.23Å; R352-Q357 PolarHBondContact NH1-O 3.35Å; M355-Q357 PolarHBondContact O-N 2.94Å; Q357-S359 PolarHBondContact O-N 3.31Å
358	S	83.4	Confident	93.4	Very high	80 Å²	80	45.9 Å²	45.9	56%	0.559	27%	0.27	S	S	*	.			trans	-75	-8.8	-178.7	56.4	0	0	0	0	113.9
359	S	83.7	Confident	93.4	Very high	95 Å²	95	40.6 Å²	40.6	66%	0.664	25%	0.247	S	C	*	.	S	Bend	trans	-89.8	143	171.1	48.1	0	0	0	0	111.6	R352 Q357	R352-S359 PolarHBondContact NH1-O 3.28Å; Q357-S359 PolarHBondContact O-N 3.31Å
360	G	85.4	Confident	93.5	Very high	54 Å²	54	40.4 Å²	40.4	56%	0.557	25%	0.246	S	C	*	.	S	Bend	trans	110.1	179.7	-178.3	0	0	0	0	0	113.2	R352	R352-G360 PolarHBondContact NE-O 3.3Å
361	D	88.4	Confident	93.6	Very high	110 Å²	110	37.9 Å²	37.9	59%	0.588	23%	0.232	S	C	*	.	S	Bend	trans	-60.2	150.8	-166.7	-54.7	-81.7	0	0	0	114.8	R352 V363	R352-D361 VanDerWaalsContact CZ-O 3.28Å; R352-D361 PolarHBondContact NE-O 3.48Å; R352-D361 PolarHBondContact NH2-O 2.85Å; D361-V363 PolarHBondContact O-N 2.75Å
362	P	91.5	Very high	93.7	Very high	72 Å²	72	37.9 Å²	37.9	47%	0.468	23%	0.232	S	C	.	.			trans	-59.8	116.3	178.4	-24.5	35.4	0	0	0	112.7	M364	P362-M364 HydrophobicContact CB-CG 4.14Å; P362-M364 HydrophobicContact CB-SD 4.07Å; P362-M364 PolarHBondContact O-N 3.01Å
363	V	94.4	Very high	93.7	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.03	23%	0.226	C	C	.	.			trans	-87.6	93	176.5	-174	0	0	0	0	107.9	N350 I351 M355 D361 Y365	N350-V363 PolarHBondContact OD1-N 3.34Å; I351-V363 HydrophobicContact CG2-CB 3.87Å; I351-V363 HydrophobicContact CG2-CG1 3.87Å; I351-V363 PolarHBondContact N-O 2.79Å; M355-V363 HydrophobicContact SD-CB 4.46Å; M355-V363 HydrophobicContact SD-CG2 4.05Å; D361-V363 PolarHBondContact O-N 2.75Å; V363-Y365 HydrophobicContact CG1-CE2 4Å
364	M	96.3	Very high	93.5	Very high	63 Å²	63	36 Å²	36	31%	0.31	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	143.7	-170.4	-64.7	-60.5	-68	0	0	113.3	F348 N350 P362 I423	F348-M364 HydrophobicContact CB-CE 4.07Å; N350-M364 HydrophobicContact CB-SD 3.65Å; P362-M364 HydrophobicContact CB-CG 4.14Å; P362-M364 HydrophobicContact CB-SD 4.07Å; P362-M364 PolarHBondContact O-N 3.01Å; M364-I423 HydrophobicContact CB-CB 4.36Å; M364-I423 HydrophobicContact CB-CD1 4.39Å; M364-I423 PolarHBondContact O-N 3.02Å
365	Y	97.8	Very high	93.1	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.6	172.8	-72.1	-105.3	0	0	0	110.8	T320 S321 L324 F348 L349 I351 V363 L421 R422	T320-Y365 WeakPolarHBondContact CB-OH 3.26Å; S321-Y365 WeakPolarHBondContact O-CE1 3.46Å; S321-Y365 PolarHBondContact O-OH 2.79Å; L324-Y365 HydrophobicContact CB-CD1 3.91Å; L324-Y365 HydrophobicContact CB-CE1 3.64Å; F348-Y365 CarbonylContact C-O 3.5Å; F348-Y365 VanDerWaalsContact CA-O 3.29Å; F348-Y365 WeakPolarHBondContact CA-O 3.45Å; L349-Y365 PolarHBondContact N-O 2.75Å; L349-Y365 PolarHBondContact O-N 3.49Å; I351-Y365 HydrophobicContact CB-CD2 4.34Å; I351-Y365 HydrophobicContact CB-CE2 4.09Å; I351-Y365 HydrophobicContact CG2-CD2 4.26Å; I351-Y365 HydrophobicContact CG2-CE2 3.61Å; V363-Y365 HydrophobicContact CG1-CE2 4Å; Y365-L421 CarbonylContact C-O 3.56Å; Y365-L421 VanDerWaalsContact CA-O 3.27Å; Y365-L421 WeakPolarHBondContact CA-O 3.35Å; Y365-L421 VanDerWaalsContact CD1-C 3.45Å; Y365-R422 HydrophobicContact CD1-CB 4.09Å; Y365-R422 VanDerWaalsContact CD1-N 3.31Å; Y365-R422 HydrophobicContact CE1-CB 3.62Å; Y365-R422 HydrophobicContact CE1-CG 4.36Å; Y365-R422 HydrophobicContact CE2-CG 4.4Å
366	G	97.7	Very high	92.2	Very high	12 Å²	12	45.2 Å²	45.2	12%	0.124	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.1	167.5	0	0	0	0	0	111	E347 Y420 L421	E347-G366 CarbonylContact O-C 3.6Å; E347-G366 WeakPolarHBondContact O-CA 3.37Å; G366-Y420 WeakPolarHBondContact O-CA 3.43Å; G366-L421 PolarHBondContact N-O 3.4Å; G366-L421 PolarHBondContact O-N 2.91Å
367	L	98.3	Very high	91.6	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.5	172.2	-171.6	73.4	0	0	0	109.4	Y345 E347 V370 W394 L411 L418 Y420	Y345-L367 HydrophobicContact CD2-CD2 3.82Å; Y345-L367 HydrophobicContact CE2-CD2 4.07Å; E347-L367 HydrophobicContact CG-CB 4.4Å; E347-L367 WeakPolarHBondContact O-CB 3.06Å; E347-L367 PolarHBondContact O-N 3.24Å; L367-V370 HydrophobicContact CD1-CG2 4.14Å; L367-V370 HydrophobicContact CD2-CG2 3.74Å; L367-V370 HydrophobicContact CG-CG2 4.13Å; L367-W394 HydrophobicContact CD2-CH2 4.18Å; L367-W394 HydrophobicContact CD2-CZ2 4.45Å; L367-W394 HydrophobicContact CG-CH2 4.01Å; L367-W394 HydrophobicContact CG-CZ2 4.46Å; L367-W394 WeakPolarHBondContact O-CZ2 3.39Å; L367-L411 HydrophobicContact CD2-CD2 3.83Å; L367-L418 HydrophobicContact CD1-CB 4.32Å; L367-L418 HydrophobicContact CD1-CD2 3.99Å; L367-Y420 HydrophobicContact CB-CD1 4.1Å; L367-Y420 HydrophobicContact CB-CE1 3.82Å; L367-Y420 HydrophobicContact CD1-CD1 4.2Å; L367-Y420 HydrophobicContact CD1-CD2 4.17Å; L367-Y420 HydrophobicContact CD1-CE1 3.86Å; L367-Y420 HydrophobicContact CD1-CE2 3.82Å; L367-Y420 HydrophobicContact CD1-CG 4.35Å; L367-Y420 HydrophobicContact CG-CE1 4.43Å
368	Y	98.1	Very high	90.9	Very high	10 Å²	10	41.9 Å²	41.9	4%	0.039	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	-17	177.6	78.3	-85.3	0	0	0	114.2	Y142 T143 V323 V387 K388 F419 L421	Y142-Y368 WeakPolarHBondContact O-CD2 3.35Å; Y142-Y368 WeakPolarHBondContact O-CE2 3.37Å; T143-Y368 WeakPolarHBondContact CG2-OH 3.49Å; T143-Y368 PolarHBondContact OG1-OH 3.45Å; V323-Y368 HydrophobicContact CG1-CE1 4.09Å; V323-Y368 VanDerWaalsContact CG1-OH 3.3Å; V323-Y368 WeakPolarHBondContact CG1-OH 3.46Å; Y368-V387 CarbonylContact O-C 3.55Å; Y368-V387 WeakPolarHBondContact O-CA 3.49Å; Y368-K388 PolarHBondContact O-N 3.44Å; Y368-F419 HydrophobicContact CD1-CB 4.24Å; Y368-F419 VanDerWaalsContact CD1-O 3.25Å; Y368-F419 WeakPolarHBondContact CD1-O 3.39Å; Y368-F419 HydrophobicContact CE1-CB 3.6Å; Y368-F419 HydrophobicContact CE2-CB 4.22Å; Y368-F419 PolarHBondContact N-O 3Å; Y368-L421 HydrophobicContact CD1-CB 3.59Å; Y368-L421 HydrophobicContact CE1-CB 3.97Å; Y368-L421 HydrophobicContact CG-CB 4.44Å
369	A	98.3	Very high	90.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	147.6	167.5	0	0	0	0	0	113	C139 Y386 V387 F419	C139-A369 HydrophobicContact CB-CB 4.23Å; A369-Y386 CarbonylContact C-O 3.58Å; A369-Y386 VanDerWaalsContact CA-O 3.24Å; A369-Y386 WeakPolarHBondContact CA-O 3.41Å; A369-V387 HydrophobicContact CB-CG1 4.01Å; A369-F419 HydrophobicContact CB-CB 3.99Å; A369-F419 HydrophobicContact CB-CD2 3.95Å; A369-F419 HydrophobicContact CB-CG 4.23Å; A369-F419 PolarHBondContact N-O 3.38Å; A369-F419 PolarHBondContact O-N 3.22Å
370	V	98.5	Very high	90.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	110.4	178.5	-179	0	0	0	0	108	Y345 L367 V372 C385 Y386 V410 A415 L418	Y345-V370 HydrophobicContact CE2-CG1 4.36Å; Y345-V370 HydrophobicContact CE2-CG2 3.97Å; L367-V370 HydrophobicContact CD1-CG2 4.14Å; L367-V370 HydrophobicContact CD2-CG2 3.74Å; L367-V370 HydrophobicContact CG-CG2 4.13Å; V370-V372 HydrophobicContact CG1-CG2 3.92Å; V370-C385 CarbonylContact O-C 3.54Å; V370-C385 WeakPolarHBondContact O-CA 3.41Å; V370-C385 VanDerWaalsContact O-CB 3.3Å; V370-C385 WeakPolarHBondContact O-CB 3.4Å; V370-Y386 PolarHBondContact N-O 2.97Å; V370-Y386 PolarHBondContact O-N 2.84Å; V370-V410 HydrophobicContact CB-CG1 4.3Å; V370-V410 HydrophobicContact CG2-CG1 3.69Å; V370-A415 HydrophobicContact CG1-CB 3.56Å; V370-L418 HydrophobicContact CB-CD2 4.45Å; V370-L418 HydrophobicContact CG1-CD2 4.05Å; V370-L418 HydrophobicContact CG2-CD2 3.94Å
371	L	98.3	Very high	90.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.5	173.1	-168.1	155.6	0	0	0	108.6	A209 Y383 C385 Y416 V417 F419	A209-L371 HydrophobicContact CB-CD1 4.23Å; A209-L371 HydrophobicContact CB-CD2 3.92Å; L371-Y383 HydrophobicContact CD2-CD1 3.79Å; L371-Y383 HydrophobicContact CD2-CE1 4.36Å; L371-C385 HydrophobicContact CB-CB 4.42Å; L371-Y416 HydrophobicContact CD2-CD1 3.97Å; L371-Y416 PolarHBondContact O-N 3.34Å; L371-V417 HydrophobicContact CB-CB 4.16Å; L371-V417 PolarHBondContact N-O 3.17Å; L371-V417 PolarHBondContact O-N 3.19Å; L371-F419 HydrophobicContact CB-CE2 4.27Å
372	V	97	Very high	90.8	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.3	-173.3	-177.3	0	0	0	0	109.6	V370 Y383 Y384 Y386 Q413	V370-V372 HydrophobicContact CG1-CG2 3.92Å; V372-Y383 WeakPolarHBondContact O-CA 3.34Å; V372-Y384 HydrophobicContact CB-CD1 4.39Å; V372-Y384 HydrophobicContact CB-CD2 4.44Å; V372-Y384 HydrophobicContact CB-CE1 4.05Å; V372-Y384 HydrophobicContact CB-CE2 4.13Å; V372-Y384 HydrophobicContact CG1-CE1 3.76Å; V372-Y384 HydrophobicContact CG1-CE2 4.27Å; V372-Y384 HydrophobicContact CG2-CE2 4.43Å; V372-Y384 PolarHBondContact N-O 2.92Å; V372-Y384 PolarHBondContact O-N 3.47Å; V372-Y384 VanDerWaalsContact O-N 3.16Å; V372-Y386 HydrophobicContact CG2-CD2 4.1Å; V372-Y386 HydrophobicContact CG2-CE2 4.12Å; V372-Q413 HydrophobicContact CG2-CB 3.83Å; V372-Q413 HydrophobicContact CG2-CG 4.43Å
373	H	94.5	Very high	91.1	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115.9	169.2	-174.4	-119.5	0	0	0	110.1	F331 K338 S377 G381 Y383	F331-H373 AromaticContact CZ-ND1 3.6Å; K338-H373 PolarHBondContact NZ-O 2.91Å; H373-S377 PolarHBondContact CE1-O 3.06Å; H373-G381 WeakPolarHBondContact NE2-CA 3.19Å; H373-Y383 HydrophobicContact CB-CD1 3.81Å; H373-Y383 HydrophobicContact CB-CE1 3.66Å; H373-Y383 AromaticContact CD2-CD1 3.52Å; H373-Y383 AromaticContact CD2-CD2 3.7Å; H373-Y383 AromaticContact CD2-CE1 3.34Å; H373-Y383 WeakPolarHBondContact CD2-CE1 3.42Å; H373-Y383 AromaticContact CD2-CE2 3.53Å; H373-Y383 AromaticContact CD2-CG 3.71Å; H373-Y383 AromaticContact CD2-CZ 3.35Å; H373-Y383 AromaticContact CG-CD1 3.98Å; H373-Y383 AromaticContact CG-CE1 3.63Å; H373-Y383 AromaticContact CG-CZ 3.94Å; H373-Y383 AromaticContact NE2-CE2 3.8Å; H373-Y383 AromaticContact NE2-CZ 3.82Å
374	S	91.7	Very high	91.3	Very high	64 Å²	64	37.6 Å²	37.6	45%	0.448	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	156.4	166.8	-168	0	0	0	0	110.8	G381 H382	S374-G381 CarbonylContact O-C 3.46Å; S374-G381 WeakPolarHBondContact O-CA 3.45Å; S374-H382 PolarHBondContact N-O 3.05Å; S374-H382 PolarHBondContact O-N 2.97Å
375	G	86.1	Confident	91.4	Very high	21 Å²	21	34.6 Å²	34.6	22%	0.216	19%	0.193	C	C	.	.	S	Bend	trans	99.9	165.7	-174.6	0	0	0	0	0	113.7	K338	K338-G375 WeakPolarHBondContact CD-O 3.32Å; K338-G375 WeakPolarHBondContact CE-O 3.42Å; K338-G375 PolarHBondContact NZ-O 3.41Å
376	Y	77.2	Confident	91.4	Very high	203 Å²	203	35 Å²	35	80%	0.796	19%	0.194	S	C	*	.	S	Bend	trans	-103.9	-13.3	-168.6	-58.9	-79.1	0	0	0	114.3	K338 T340	K338-Y376 VanDerWaalsContact CB-O 3.27Å; K338-Y376 WeakPolarHBondContact CB-O 3.5Å; K338-Y376 PolarHBondContact N-O 2.78Å; T340-Y376 HydrophobicContact CG2-CD1 4.16Å
377	S	78.1	Confident	91.4	Very high	35 Å²	35	34.5 Å²	34.5	25%	0.245	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-113	169.3	-175.2	-176.7	0	0	0	0	111.2	H373 H379	H373-S377 PolarHBondContact CE1-O 3.06Å; S377-H379 PolarHBondContact OG-N 3.46Å
378	C	74.4	Confident	91.4	Very high	47 Å²	47	37 Å²	37	32%	0.318	20%	0.199	S	C	.	.	S	Bend	trans	-85.2	-15.2	160.4	55.4	0	0	0	0	113.2	F331 G336	F331-C378 HydrophobicContact CB-CB 4.34Å; F331-C378 HydrophobicContact CD1-CB 3.55Å; F331-C378 HydrophobicContact CD2-CB 4.48Å; F331-C378 HydrophobicContact CE1-CB 3.86Å; F331-C378 HydrophobicContact CG-CB 3.89Å; F331-C378 HydrophobicContact CZ-CB 4.45Å; G336-C378 PolarHBondContact O-SG 3.08Å
379	H	73.3	Confident	91.2	Very high	148 Å²	148	36.7 Å²	36.7	69%	0.685	20%	0.199	S	C	*	.	S	Bend	trans	-98.5	-13.3	-177.1	-57	-59	0	0	0	114.1	S377	S377-H379 PolarHBondContact OG-N 3.46Å
380	A	81.6	Confident	91	Very high	59 Å²	59	37.4 Å²	37.4	49%	0.488	20%	0.204	S	C	.	.	S	Bend	trans	-147.8	120	-177.6	0	0	0	0	0	110.2
381	G	89.5	Confident	90.8	Very high	21 Å²	21	40.3 Å²	40.3	22%	0.216	22%	0.219	C	C	.	.			trans	179.7	-161	176.1	0	0	0	0	0	113	Q206 H373 S374	Q206-G381 PolarHBondContact NE2-O 2.83Å; Q206-G381 PolarHBondContact OE1-O 3.16Å; H373-G381 WeakPolarHBondContact NE2-CA 3.19Å; S374-G381 CarbonylContact O-C 3.46Å; S374-G381 WeakPolarHBondContact O-CA 3.45Å
382	H	95.1	Very high	90.5	Very high	54 Å²	54	42.1 Å²	42.1	25%	0.25	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	133.1	179.2	-178.3	48.2	0	0	0	111.3	C131 S374 N398 D399	C131-H382 WeakPolarHBondContact CB-CE1 3.18Å; C131-H382 WeakPolarHBondContact CB-ND1 3.4Å; C131-H382 PolarHBondContact SG-ND1 3.42Å; S374-H382 PolarHBondContact N-O 3.05Å; S374-H382 PolarHBondContact O-N 2.97Å; H382-N398 PolarHBondContact NE2-OD1 3.49Å; H382-D399 IonicContact CE1-OD2 2.75Å; H382-D399 PolarHBondContact CE1-OD2 3.32Å; H382-D399 VanDerWaalsContact CE1-OD2 3.31Å
383	Y	96.9	Very high	90.5	Very high	8 Å²	8	47.1 Å²	47.1	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.1	179.3	-65.9	-87.1	0	0	0	111.8	C131 F132 S135 E207 A209 L371 V372 H373 Y416	C131-Y383 WeakPolarHBondContact CB-O 3.5Å; F132-Y383 HydrophobicContact CB-CD2 3.54Å; F132-Y383 HydrophobicContact CB-CE2 3.76Å; F132-Y383 HydrophobicContact CB-CG 4.2Å; S135-Y383 WeakPolarHBondContact OG-CB 3.31Å; E207-Y383 WeakPolarHBondContact O-CE2 3.29Å; A209-Y383 HydrophobicContact CB-CD1 3.63Å; A209-Y383 HydrophobicContact CB-CD2 4.49Å; A209-Y383 HydrophobicContact CB-CE1 3.51Å; A209-Y383 HydrophobicContact CB-CE2 4.4Å; A209-Y383 HydrophobicContact CB-CG 4.12Å; L371-Y383 HydrophobicContact CD2-CD1 3.79Å; L371-Y383 HydrophobicContact CD2-CE1 4.36Å; V372-Y383 WeakPolarHBondContact O-CA 3.34Å; H373-Y383 HydrophobicContact CB-CD1 3.81Å; H373-Y383 HydrophobicContact CB-CE1 3.66Å; H373-Y383 AromaticContact CD2-CD1 3.52Å; H373-Y383 AromaticContact CD2-CD2 3.7Å; H373-Y383 AromaticContact CD2-CE1 3.34Å; H373-Y383 WeakPolarHBondContact CD2-CE1 3.42Å; H373-Y383 AromaticContact CD2-CE2 3.53Å; H373-Y383 AromaticContact CD2-CG 3.71Å; H373-Y383 AromaticContact CD2-CZ 3.35Å; H373-Y383 AromaticContact CG-CD1 3.98Å; H373-Y383 AromaticContact CG-CE1 3.63Å; H373-Y383 AromaticContact CG-CZ 3.94Å; H373-Y383 AromaticContact NE2-CE2 3.8Å; H373-Y383 AromaticContact NE2-CZ 3.82Å; Y383-Y416 AromaticContact CE1-CD1 3.86Å; Y383-Y416 HydrophobicContact CE1-CD1 3.86Å; Y383-Y416 HydrophobicContact CE1-CE1 4.1Å
384	Y	97.9	Very high	90.7	Very high	36 Å²	36	47.4 Å²	47.4	14%	0.141	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	173.2	172.3	62	-77.8	0	0	0	108.4	V372 Y386 Q396 M397 Q413	V372-Y384 HydrophobicContact CB-CD1 4.39Å; V372-Y384 HydrophobicContact CB-CD2 4.44Å; V372-Y384 HydrophobicContact CB-CE1 4.05Å; V372-Y384 HydrophobicContact CB-CE2 4.13Å; V372-Y384 HydrophobicContact CG1-CE1 3.76Å; V372-Y384 HydrophobicContact CG1-CE2 4.27Å; V372-Y384 HydrophobicContact CG2-CE2 4.43Å; V372-Y384 PolarHBondContact N-O 2.92Å; V372-Y384 PolarHBondContact O-N 3.47Å; V372-Y384 VanDerWaalsContact O-N 3.16Å; Y384-Y386 HydrophobicContact CD2-CE2 4.06Å; Y384-Y386 HydrophobicContact CE2-CD2 4.45Å; Y384-Y386 AromaticContact CE2-CE2 3.51Å; Y384-Y386 HydrophobicContact CE2-CE2 3.51Å; Y384-Y386 AromaticContact CE2-CZ 3.92Å; Y384-Q396 HydrophobicContact CD2-CG 4.13Å; Y384-M397 WeakPolarHBondContact CB-O 3.21Å; Y384-Q413 PolarHBondContact OH-OE1 3.13Å
385	C	98.4	Very high	91	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	160.7	177.2	64.8	0	0	0	0	112.8	S135 Q138 C139 V370 L371 M397	S135-C385 PolarHBondContact O-SG 2.85Å; Q138-C385 VanDerWaalsContact CB-SG 3.6Å; C139-C385 VanDerWaalsContact SG-CB 3.56Å; V370-C385 CarbonylContact O-C 3.54Å; V370-C385 WeakPolarHBondContact O-CA 3.41Å; V370-C385 VanDerWaalsContact O-CB 3.3Å; V370-C385 WeakPolarHBondContact O-CB 3.4Å; L371-C385 HydrophobicContact CB-CB 4.42Å; C385-M397 PolarHBondContact N-O 3.42Å; C385-M397 PolarHBondContact O-N 2.9Å
386	Y	98.6	Very high	91.5	Very high	10 Å²	10	46.7 Å²	46.7	4%	0.039	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.7	165.5	-62.7	-94.7	0	0	0	108.4	A369 V370 V372 Y384 Y395 Q396 V410 Q413	A369-Y386 CarbonylContact C-O 3.58Å; A369-Y386 VanDerWaalsContact CA-O 3.24Å; A369-Y386 WeakPolarHBondContact CA-O 3.41Å; V370-Y386 PolarHBondContact N-O 2.97Å; V370-Y386 PolarHBondContact O-N 2.84Å; V372-Y386 HydrophobicContact CG2-CD2 4.1Å; V372-Y386 HydrophobicContact CG2-CE2 4.12Å; Y384-Y386 HydrophobicContact CD2-CE2 4.06Å; Y384-Y386 HydrophobicContact CE2-CD2 4.45Å; Y384-Y386 AromaticContact CE2-CE2 3.51Å; Y384-Y386 HydrophobicContact CE2-CE2 3.51Å; Y384-Y386 AromaticContact CE2-CZ 3.92Å; Y386-Y395 CarbonylContact C-O 3.45Å; Y386-Y395 VanDerWaalsContact CA-O 3.26Å; Y386-Y395 WeakPolarHBondContact CA-O 3.33Å; Y386-Q396 HydrophobicContact CD1-CB 3.78Å; Y386-Q396 HydrophobicContact CD1-CG 4.09Å; Y386-Q396 HydrophobicContact CE1-CB 3.57Å; Y386-Q396 HydrophobicContact CE1-CG 3.64Å; Y386-Q396 PolarHBondContact OH-NE2 3.41Å; Y386-V410 HydrophobicContact CD1-CG2 3.73Å; Y386-V410 HydrophobicContact CE1-CG2 4.45Å; Y386-V410 HydrophobicContact CG-CG1 4.41Å; Y386-V410 HydrophobicContact CG-CG2 3.89Å; Y386-Q413 HydrophobicContact CD2-CG 3.98Å; Y386-Q413 HydrophobicContact CE2-CB 4.38Å; Y386-Q413 HydrophobicContact CE2-CG 3.43Å; Y386-Q413 VanDerWaalsContact CE2-CG 3.43Å; Y386-Q413 PolarHBondContact OH-OE1 3.26Å
387	V	98.1	Very high	92.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.3	-178.5	-63	0	0	0	0	110.8	Y142 Y368 A369 W394 Y395 M397	Y142-V387 HydrophobicContact CD1-CB 4.45Å; Y142-V387 HydrophobicContact CD1-CG2 4.23Å; Y142-V387 HydrophobicContact CD2-CB 3.93Å; Y142-V387 HydrophobicContact CD2-CG1 4.01Å; Y142-V387 HydrophobicContact CD2-CG2 3.62Å; Y142-V387 HydrophobicContact CE1-CG2 4.39Å; Y142-V387 HydrophobicContact CE2-CG2 3.81Å; Y142-V387 HydrophobicContact CG-CB 3.83Å; Y142-V387 HydrophobicContact CG-CG1 4.23Å; Y142-V387 HydrophobicContact CG-CG2 3.84Å; Y368-V387 CarbonylContact O-C 3.55Å; Y368-V387 WeakPolarHBondContact O-CA 3.49Å; A369-V387 HydrophobicContact CB-CG1 4.01Å; V387-W394 VanDerWaalsContact C-CE3 3.45Å; V387-W394 CarbonylContact O-C 3.56Å; V387-W394 WeakPolarHBondContact O-CA 3.42Å; V387-Y395 PolarHBondContact N-O 2.88Å; V387-Y395 PolarHBondContact O-N 3.5Å; V387-M397 HydrophobicContact CG2-CE 3.67Å; V387-M397 HydrophobicContact CG2-CG 3.7Å
388	K	97.3	Very high	93.5	Very high	55 Å²	55	37 Å²	37	24%	0.239	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	105.2	173.9	-157.6	173.2	-168.9	172.4	0	108.1	E347 Y368 G392 Q393 W394	E347-K388 IonicContact OE1-NZ 3.74Å; E347-K388 PolarHBondContact OE1-NZ 2.95Å; Y368-K388 PolarHBondContact O-N 3.44Å; K388-G392 WeakPolarHBondContact CE-O 3.19Å; K388-G392 WeakPolarHBondContact CG-O 3.22Å; K388-Q393 CarbonylContact C-O 3.58Å; K388-Q393 WeakPolarHBondContact CA-O 3.3Å; K388-W394 HydrophobicContact CB-CD2 3.94Å; K388-W394 HydrophobicContact CB-CE3 4.02Å; K388-W394 HydrophobicContact CB-CH2 4.05Å; K388-W394 HydrophobicContact CB-CZ2 3.97Å; K388-W394 HydrophobicContact CB-CZ3 4.07Å; K388-W394 HydrophobicContact CD-CD2 4.5Å; K388-W394 HydrophobicContact CD-CZ2 3.85Å; K388-W394 HydrophobicContact CG-CD2 4.13Å; K388-W394 HydrophobicContact CG-CG 4.4Å; K388-W394 HydrophobicContact CG-CZ2 4.24Å
389	A	95	Very high	94.5	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.033	19%	0.194	C	C	.	.			trans	-72.9	171.4	-176.5	0	0	0	0	0	111.8	Y142 N391 G392 Q393 Y395	Y142-A389 HydrophobicContact CD1-CB 4.25Å; Y142-A389 HydrophobicContact CE1-CB 3.78Å; A389-N391 WeakPolarHBondContact CB-OD1 3.38Å; A389-N391 PolarHBondContact O-N 2.71Å; A389-N391 VanDerWaalsContact O-N 3.12Å; A389-G392 WeakPolarHBondContact O-CA 3.41Å; A389-G392 PolarHBondContact O-N 3.14Å; A389-Q393 PolarHBondContact N-O 2.73Å; A389-Y395 HydrophobicContact CB-CD2 3.71Å; A389-Y395 HydrophobicContact CB-CE2 3.65Å
390	S	94	Very high	95.7	Very high	15 Å²	15	31.3 Å²	31.3	11%	0.105	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.2	-176	69.9	0	0	0	0	115.3	W114 Y118 G392	W114-S390 VanDerWaalsContact CD2-CB 3.44Å; W114-S390 VanDerWaalsContact CG-CB 3.43Å; Y118-S390 PolarHBondContact N-OG 3.5Å; Y118-S390 PolarHBondContact O-OG 3.38Å; S390-G392 PolarHBondContact O-N 3.28Å
391	N	92.9	Very high	96.4	Very high	62 Å²	62	32.8 Å²	32.8	33%	0.332	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	4.6	170.1	66.5	-6	0	0	0	113.5	V117 A389 Q393 Y395	V117-N391 HydrophobicContact CG1-CB 3.93Å; A389-N391 WeakPolarHBondContact CB-OD1 3.38Å; A389-N391 PolarHBondContact O-N 2.71Å; A389-N391 VanDerWaalsContact O-N 3.12Å; N391-Q393 PolarHBondContact O-N 3.28Å; N391-Q393 WeakPolarHBondContact OD1-CB 3.34Å; N391-Q393 PolarHBondContact OD1-N 2.82Å; N391-Q393 VanDerWaalsContact OD1-N 3.07Å; N391-Y395 PolarHBondContact ND2-OH 3.32Å
392	G	93.6	Very high	96.8	Very high	37 Å²	37	33.7 Å²	33.7	38%	0.381	18%	0.178	S	C	.	.	S	Bend	trans	78.7	-6.2	-178.1	0	0	0	0	0	115.3	K388 A389 S390	K388-G392 WeakPolarHBondContact CE-O 3.19Å; K388-G392 WeakPolarHBondContact CG-O 3.22Å; A389-G392 WeakPolarHBondContact O-CA 3.41Å; A389-G392 PolarHBondContact O-N 3.14Å; S390-G392 PolarHBondContact O-N 3.28Å
393	Q	96.2	Very high	96.8	Very high	107 Å²	107	35.7 Å²	35.7	50%	0.5	19%	0.188	S	C	.	.			trans	-85.3	151.7	-178.6	-58.9	-60.6	-23	0	0	111.8	K388 A389 N391 Y395	K388-Q393 CarbonylContact C-O 3.58Å; K388-Q393 WeakPolarHBondContact CA-O 3.3Å; A389-Q393 PolarHBondContact N-O 2.73Å; N391-Q393 PolarHBondContact O-N 3.28Å; N391-Q393 WeakPolarHBondContact OD1-CB 3.34Å; N391-Q393 PolarHBondContact OD1-N 2.82Å; N391-Q393 VanDerWaalsContact OD1-N 3.07Å; Q393-Y395 HydrophobicContact CB-CE2 3.8Å
394	W	98.1	Very high	96.8	Very high	9 Å²	9	39.5 Å²	39.5	3%	0.034	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	140	177.8	-75.8	96.7	0	0	0	111.3	L367 V387 K388 S405 I407 V410	L367-W394 HydrophobicContact CD2-CH2 4.18Å; L367-W394 HydrophobicContact CD2-CZ2 4.45Å; L367-W394 HydrophobicContact CG-CH2 4.01Å; L367-W394 HydrophobicContact CG-CZ2 4.46Å; L367-W394 WeakPolarHBondContact O-CZ2 3.39Å; V387-W394 VanDerWaalsContact C-CE3 3.45Å; V387-W394 CarbonylContact O-C 3.56Å; V387-W394 WeakPolarHBondContact O-CA 3.42Å; K388-W394 HydrophobicContact CB-CD2 3.94Å; K388-W394 HydrophobicContact CB-CE3 4.02Å; K388-W394 HydrophobicContact CB-CH2 4.05Å; K388-W394 HydrophobicContact CB-CZ2 3.97Å; K388-W394 HydrophobicContact CB-CZ3 4.07Å; K388-W394 HydrophobicContact CD-CD2 4.5Å; K388-W394 HydrophobicContact CD-CZ2 3.85Å; K388-W394 HydrophobicContact CG-CD2 4.13Å; K388-W394 HydrophobicContact CG-CG 4.4Å; K388-W394 HydrophobicContact CG-CZ2 4.24Å; W394-S405 WeakPolarHBondContact CB-O 3.36Å; W394-S405 PolarHBondContact O-N 2.96Å; W394-I407 HydrophobicContact CZ2-CD1 3.9Å; W394-V410 HydrophobicContact CB-CG2 4.18Å; W394-V410 HydrophobicContact CD2-CG1 4.41Å; W394-V410 HydrophobicContact CD2-CG2 4.01Å; W394-V410 HydrophobicContact CE3-CG1 4.02Å; W394-V410 HydrophobicContact CE3-CG2 3.95Å; W394-V410 HydrophobicContact CG-CG2 4.14Å; W394-V410 HydrophobicContact CH2-CG1 4.18Å; W394-V410 HydrophobicContact CZ3-CG1 3.9Å
395	Y	98.1	Very high	96.8	Very high	34 Å²	34	38.9 Å²	38.9	13%	0.133	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.7	177.5	-64.8	-92.1	0	0	0	110.9	V120 Y386 V387 A389 N391 Q393 V402 H403	V120-Y395 HydrophobicContact CB-CD1 4.28Å; V120-Y395 HydrophobicContact CB-CD2 4.44Å; V120-Y395 HydrophobicContact CB-CE1 4.05Å; V120-Y395 HydrophobicContact CB-CE2 4.22Å; V120-Y395 HydrophobicContact CB-CG 4.47Å; V120-Y395 HydrophobicContact CG1-CD1 4.36Å; V120-Y395 HydrophobicContact CG1-CE1 3.97Å; V120-Y395 HydrophobicContact CG2-CD1 3.82Å; V120-Y395 HydrophobicContact CG2-CD2 3.98Å; V120-Y395 HydrophobicContact CG2-CE1 4.12Å; V120-Y395 HydrophobicContact CG2-CE2 4.26Å; V120-Y395 HydrophobicContact CG2-CG 3.75Å; Y386-Y395 CarbonylContact C-O 3.45Å; Y386-Y395 VanDerWaalsContact CA-O 3.26Å; Y386-Y395 WeakPolarHBondContact CA-O 3.33Å; V387-Y395 PolarHBondContact N-O 2.88Å; V387-Y395 PolarHBondContact O-N 3.5Å; A389-Y395 HydrophobicContact CB-CD2 3.71Å; A389-Y395 HydrophobicContact CB-CE2 3.65Å; N391-Y395 PolarHBondContact ND2-OH 3.32Å; Q393-Y395 HydrophobicContact CB-CE2 3.8Å; Y395-V402 HydrophobicContact CD1-CG1 4.37Å; Y395-H403 CarbonylContact C-O 3.51Å; Y395-H403 WeakPolarHBondContact CA-O 3.24Å
396	Q	98.1	Very high	96.7	Very high	37 Å²	37	43.1 Å²	43.1	17%	0.173	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125	165.7	-168.8	-173.5	32.1	0	0	109.1	Y384 Y386 N398 V402 H403	Y384-Q396 HydrophobicContact CD2-CG 4.13Å; Y386-Q396 HydrophobicContact CD1-CB 3.78Å; Y386-Q396 HydrophobicContact CD1-CG 4.09Å; Y386-Q396 HydrophobicContact CE1-CB 3.57Å; Y386-Q396 HydrophobicContact CE1-CG 3.64Å; Y386-Q396 PolarHBondContact OH-NE2 3.41Å; Q396-N398 HydrophobicContact CG-CB 4.41Å; Q396-V402 WeakPolarHBondContact O-CA 3.36Å; Q396-H403 PolarHBondContact N-O 3.45Å; Q396-H403 PolarHBondContact O-N 2.85Å
397	M	97.9	Very high	96.6	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	99.5	173.8	-62.3	-71.8	170.1	0	0	107.9	V120 Q138 Y142 Y384 C385 V387 V402	V120-M397 HydrophobicContact CG2-CE 3.47Å; V120-M397 VanDerWaalsContact CG2-CE 3.47Å; Q138-M397 HydrophobicContact CB-CB 4.27Å; Q138-M397 HydrophobicContact CB-CG 4.34Å; Q138-M397 HydrophobicContact CG-CB 4.04Å; Q138-M397 HydrophobicContact CG-CG 4.24Å; Y142-M397 HydrophobicContact CE2-CE 3.66Å; Y142-M397 WeakPolarHBondContact OH-CE 3.33Å; Y384-M397 WeakPolarHBondContact CB-O 3.21Å; C385-M397 PolarHBondContact N-O 3.42Å; C385-M397 PolarHBondContact O-N 2.9Å; V387-M397 HydrophobicContact CG2-CE 3.67Å; V387-M397 HydrophobicContact CG2-CG 3.7Å; M397-V402 HydrophobicContact CE-CG1 3.66Å; M397-V402 HydrophobicContact CE-CG2 4.47Å; M397-V402 HydrophobicContact SD-CB 4.29Å; M397-V402 HydrophobicContact SD-CG1 3.81Å; M397-V402 HydrophobicContact SD-CG2 3.66Å
398	N	97.8	Very high	96.5	Very high	32 Å²	32	52.1 Å²	52.1	17%	0.171	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	85.8	-176.3	-175.1	14.1	0	0	0	109.4	H382 Q396 S400 M401	H382-N398 PolarHBondContact NE2-OD1 3.49Å; Q396-N398 HydrophobicContact CG-CB 4.41Å; N398-S400 PolarHBondContact O-N 2.85Å; N398-M401 HydrophobicContact CB-CB 4.45Å; N398-M401 HydrophobicContact CB-CE 4.48Å; N398-M401 PolarHBondContact N-O 3.4Å; N398-M401 WeakPolarHBondContact O-CB 3.45Å; N398-M401 PolarHBondContact O-N 3.13Å
399	D	97.3	Very high	96.4	Very high	21 Å²	21	52.8 Å²	52.8	11%	0.112	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	-118.3	-166.1	-70	-35.9	0	0	0	111.3	G123 L124 N126 N134 H382 M401	G123-D399 CarbonylContact C-O 3.58Å; G123-D399 WeakPolarHBondContact CA-O 3.28Å; L124-D399 PolarHBondContact N-O 3.49Å; L124-D399 CarbonylContact O-C 3.54Å; L124-D399 WeakPolarHBondContact O-CA 3.25Å; L124-D399 WeakPolarHBondContact O-CB 3.3Å; N126-D399 HydrophobicContact CB-CB 4.19Å; N126-D399 WeakPolarHBondContact CB-OD2 3.28Å; N126-D399 PolarHBondContact ND2-OD2 3.46Å; N134-D399 WeakPolarHBondContact CB-OD1 3.18Å; N134-D399 PolarHBondContact ND2-OD1 2.99Å; H382-D399 IonicContact CE1-OD2 2.75Å; H382-D399 PolarHBondContact CE1-OD2 3.32Å; H382-D399 VanDerWaalsContact CE1-OD2 3.31Å; D399-M401 VanDerWaalsContact C-N 3.26Å; D399-M401 PolarHBondContact O-N 2.81Å
400	S	97.3	Very high	96.5	Very high	53 Å²	53	52.6 Å²	52.6	37%	0.371	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.7	-178.5	47.2	0	0	0	0	114	L124 N398	L124-S400 PolarHBondContact O-N 3.05Å; N398-S400 PolarHBondContact O-N 2.85Å
401	M	96.8	Very high	96.7	Very high	90 Å²	90	54.2 Å²	54.2	44%	0.443	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.4	178.8	-65.9	176.9	-76.9	0	0	111.2	N398 D399	N398-M401 HydrophobicContact CB-CB 4.45Å; N398-M401 HydrophobicContact CB-CE 4.48Å; N398-M401 PolarHBondContact N-O 3.4Å; N398-M401 WeakPolarHBondContact O-CB 3.45Å; N398-M401 PolarHBondContact O-N 3.13Å; D399-M401 VanDerWaalsContact C-N 3.26Å; D399-M401 PolarHBondContact O-N 2.81Å
402	V	97.4	Very high	96.8	Very high	40 Å²	40	57.7 Å²	57.7	24%	0.242	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111.9	175.1	-176.5	0	0	0	0	108.6	V120 Y395 Q396 M397	V120-V402 HydrophobicContact CG1-CG1 4.42Å; V120-V402 HydrophobicContact CG2-CG1 3.69Å; Y395-V402 HydrophobicContact CD1-CG1 4.37Å; Q396-V402 WeakPolarHBondContact O-CA 3.36Å; M397-V402 HydrophobicContact CE-CG1 3.66Å; M397-V402 HydrophobicContact CE-CG2 4.47Å; M397-V402 HydrophobicContact SD-CB 4.29Å; M397-V402 HydrophobicContact SD-CG1 3.81Å; M397-V402 HydrophobicContact SD-CG2 3.66Å
403	H	96.1	Very high	96.9	Very high	96 Å²	96	57.5 Å²	57.5	44%	0.444	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.5	-178.4	-61.2	128.4	0	0	0	111	Y395 Q396	Y395-H403 CarbonylContact C-O 3.51Å; Y395-H403 WeakPolarHBondContact CA-O 3.24Å; Q396-H403 PolarHBondContact N-O 3.45Å; Q396-H403 PolarHBondContact O-N 2.85Å
404	S	96.8	Very high	96.8	Very high	88 Å²	88	55.1 Å²	55.1	62%	0.615	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	153.7	167.9	-169.3	0	0	0	0	110.5
405	S	96.9	Very high	96.7	Very high	23 Å²	23	54.7 Å²	54.7	16%	0.161	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	154.7	-178	-73.6	0	0	0	0	111.8	W394	W394-S405 WeakPolarHBondContact CB-O 3.36Å; W394-S405 PolarHBondContact O-N 2.96Å
406	N	95.9	Very high	96.6	Very high	89 Å²	89	53.5 Å²	53.5	48%	0.476	29%	0.285	S	S	.	.			trans	-96.9	142.4	176.5	-168.8	-64.4	0	0	0	110.3	K408 V409 V410	N406-K408 PolarHBondContact O-N 2.65Å; N406-K408 VanDerWaalsContact O-N 3.12Å; N406-K408 WeakPolarHBondContact OD1-CB 3.3Å; N406-K408 WeakPolarHBondContact OD1-CG 3.49Å; N406-K408 PolarHBondContact OD1-N 2.89Å; N406-V409 HydrophobicContact CB-CG2 4.34Å; N406-V409 WeakPolarHBondContact O-CA 3.27Å; N406-V409 WeakPolarHBondContact O-CB 3.19Å; N406-V409 PolarHBondContact O-N 3.12Å; N406-V410 PolarHBondContact O-N 3Å; N406-V410 VanDerWaalsContact O-N 3.1Å
407	I	96.4	Very high	96.6	Very high	40 Å²	40	51.7 Å²	51.7	21%	0.205	28%	0.276	C	S	.	.	H	α-helix	trans	-50.5	-36.6	174.2	-179.6	62.6	0	0	0	112.5	E347 W394 V409 V410 L411	E347-I407 HydrophobicContact CB-CD1 4.19Å; E347-I407 HydrophobicContact CG-CD1 4.09Å; W394-I407 HydrophobicContact CZ2-CD1 3.9Å; I407-V409 VanDerWaalsContact C-N 3.3Å; I407-V409 PolarHBondContact O-N 3.48Å; I407-V410 HydrophobicContact CD1-CB 4.48Å; I407-V410 WeakPolarHBondContact O-CB 3.42Å; I407-V410 PolarHBondContact O-N 2.91Å; I407-V410 VanDerWaalsContact O-N 3.12Å; I407-L411 HydrophobicContact CD1-CD1 4.12Å; I407-L411 HydrophobicContact CD1-CD2 3.85Å; I407-L411 HydrophobicContact CD1-CG 3.73Å; I407-L411 HydrophobicContact CG1-CD1 3.97Å; I407-L411 HydrophobicContact CG1-CG 4.01Å; I407-L411 WeakPolarHBondContact O-CG 3.31Å; I407-L411 PolarHBondContact O-N 2.73Å
408	K	96.1	Very high	96.6	Very high	159 Å²	159	51.6 Å²	51.6	69%	0.691	28%	0.276	S	S	*	.	H	α-helix	trans	-59.5	-38.2	175.2	-66.3	-177.1	179.5	-177.5	0	112.9	N406	N406-K408 PolarHBondContact O-N 2.65Å; N406-K408 VanDerWaalsContact O-N 3.12Å; N406-K408 WeakPolarHBondContact OD1-CB 3.3Å; N406-K408 WeakPolarHBondContact OD1-CG 3.49Å; N406-K408 PolarHBondContact OD1-N 2.89Å
409	V	96.3	Very high	96.7	Very high	70 Å²	70	50 Å²	50	42%	0.424	27%	0.267	S	S	.	.	H	α-helix	trans	-69.7	-43.9	174.8	178.6	0	0	0	0	109.7	N406 I407 N412 Q413	N406-V409 HydrophobicContact CB-CG2 4.34Å; N406-V409 WeakPolarHBondContact O-CA 3.27Å; N406-V409 WeakPolarHBondContact O-CB 3.19Å; N406-V409 PolarHBondContact O-N 3.12Å; I407-V409 VanDerWaalsContact C-N 3.3Å; I407-V409 PolarHBondContact O-N 3.48Å; V409-N412 PolarHBondContact O-N 3.41Å; V409-Q413 WeakPolarHBondContact O-CG 3.11Å; V409-Q413 PolarHBondContact O-NE2 3.33Å
410	V	97.1	Very high	96.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-44.3	-179.4	178.5	0	0	0	0	112.3	Y345 V370 Y386 W394 N406 I407 N412 Q413	Y345-V410 PolarHBondContact OH-O 3.42Å; V370-V410 HydrophobicContact CB-CG1 4.3Å; V370-V410 HydrophobicContact CG2-CG1 3.69Å; Y386-V410 HydrophobicContact CD1-CG2 3.73Å; Y386-V410 HydrophobicContact CE1-CG2 4.45Å; Y386-V410 HydrophobicContact CG-CG1 4.41Å; Y386-V410 HydrophobicContact CG-CG2 3.89Å; W394-V410 HydrophobicContact CB-CG2 4.18Å; W394-V410 HydrophobicContact CD2-CG1 4.41Å; W394-V410 HydrophobicContact CD2-CG2 4.01Å; W394-V410 HydrophobicContact CE3-CG1 4.02Å; W394-V410 HydrophobicContact CE3-CG2 3.95Å; W394-V410 HydrophobicContact CG-CG2 4.14Å; W394-V410 HydrophobicContact CH2-CG1 4.18Å; W394-V410 HydrophobicContact CZ3-CG1 3.9Å; N406-V410 PolarHBondContact O-N 3Å; N406-V410 VanDerWaalsContact O-N 3.1Å; I407-V410 HydrophobicContact CD1-CB 4.48Å; I407-V410 WeakPolarHBondContact O-CB 3.42Å; I407-V410 PolarHBondContact O-N 2.91Å; I407-V410 VanDerWaalsContact O-N 3.12Å; V410-N412 VanDerWaalsContact C-N 3.25Å; V410-N412 PolarHBondContact O-N 3.27Å; V410-Q413 VanDerWaalsContact O-CG 3.31Å; V410-Q413 WeakPolarHBondContact O-CG 3.42Å; V410-Q413 PolarHBondContact O-N 2.79Å
411	L	96.9	Very high	96.7	Very high	49 Å²	49	47.9 Å²	47.9	26%	0.257	25%	0.252	S	S	.	.	H	α-helix	trans	-69.8	-20.7	-178.5	-64	-178.4	0	0	0	113.7	Y345 L367 I407 Q413	Y345-L411 HydrophobicContact CD2-CD2 3.83Å; Y345-L411 HydrophobicContact CE2-CD2 3.96Å; L367-L411 HydrophobicContact CD2-CD2 3.83Å; I407-L411 HydrophobicContact CD1-CD1 4.12Å; I407-L411 HydrophobicContact CD1-CD2 3.85Å; I407-L411 HydrophobicContact CD1-CG 3.73Å; I407-L411 HydrophobicContact CG1-CD1 3.97Å; I407-L411 HydrophobicContact CG1-CG 4.01Å; I407-L411 WeakPolarHBondContact O-CG 3.31Å; I407-L411 PolarHBondContact O-N 2.73Å; L411-Q413 VanDerWaalsContact C-N 3.34Å
412	N	95.6	Very high	96.7	Very high	134 Å²	134	46.7 Å²	46.7	72%	0.717	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	5.2	178.5	-70.1	-1.8	0	0	0	113.4	V409 V410	V409-N412 PolarHBondContact O-N 3.41Å; V410-N412 VanDerWaalsContact C-N 3.25Å; V410-N412 PolarHBondContact O-N 3.27Å
413	Q	95.8	Very high	96.5	Very high	34 Å²	34	48 Å²	48	16%	0.159	25%	0.247	C	C	.	.	S	Bend	trans	-84	152.1	-176.9	-56.4	-64.2	-53.7	0	0	112.7	Y345 V372 Y384 Y386 V409 V410 L411 A415	Y345-Q413 WeakPolarHBondContact CE1-O 3.44Å; Y345-Q413 WeakPolarHBondContact OH-CB 3.46Å; Y345-Q413 PolarHBondContact OH-N 2.86Å; Y345-Q413 PolarHBondContact OH-O 2.81Å; V372-Q413 HydrophobicContact CG2-CB 3.83Å; V372-Q413 HydrophobicContact CG2-CG 4.43Å; Y384-Q413 PolarHBondContact OH-OE1 3.13Å; Y386-Q413 HydrophobicContact CD2-CG 3.98Å; Y386-Q413 HydrophobicContact CE2-CB 4.38Å; Y386-Q413 HydrophobicContact CE2-CG 3.43Å; Y386-Q413 VanDerWaalsContact CE2-CG 3.43Å; Y386-Q413 PolarHBondContact OH-OE1 3.26Å; V409-Q413 WeakPolarHBondContact O-CG 3.11Å; V409-Q413 PolarHBondContact O-NE2 3.33Å; V410-Q413 VanDerWaalsContact O-CG 3.31Å; V410-Q413 WeakPolarHBondContact O-CG 3.42Å; V410-Q413 PolarHBondContact O-N 2.79Å; L411-Q413 VanDerWaalsContact C-N 3.34Å; Q413-A415 PolarHBondContact O-N 2.88Å
414	Q	93.8	Very high	96	Very high	57 Å²	57	46.2 Å²	46.2	27%	0.266	24%	0.244	S	C	.	.			trans	-75	64.3	171.2	-65.6	-166.4	-2	0	0	112.2	T340 D342 Y416	T340-Q414 PolarHBondContact O-NE2 3Å; T340-Q414 PolarHBondContact O-OE1 3.02Å; D342-Q414 VanDerWaalsContact OD1-CG 3.25Å; D342-Q414 WeakPolarHBondContact OD1-CG 3.29Å; D342-Q414 PolarHBondContact OD1-NE2 2.89Å; Q414-Y416 PolarHBondContact O-N 3.49Å
415	A	96	Very high	94.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.6	135.4	177.8	0	0	0	0	0	111.7	L328 R330 Y345 V370 Q413 L418	L328-A415 WeakPolarHBondContact CD1-O 3.13Å; R330-A415 VanDerWaalsContact CZ-O 3.29Å; R330-A415 PolarHBondContact NE-O 2.94Å; R330-A415 PolarHBondContact NH2-O 3.15Å; Y345-A415 HydrophobicContact CD1-CB 4.12Å; Y345-A415 HydrophobicContact CE1-CB 3.43Å; Y345-A415 VanDerWaalsContact CE1-CB 3.43Å; V370-A415 HydrophobicContact CG1-CB 3.56Å; Q413-A415 PolarHBondContact O-N 2.88Å; A415-L418 HydrophobicContact CB-CD2 3.54Å; A415-L418 HydrophobicContact CB-CG 4.04Å
416	Y	96.6	Very high	93	Very high	8 Å²	8	50.7 Å²	50.7	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-43	174.4	176.5	-126.8	0	0	0	110.9	D208 H210 L328 R330 F331 L371 Y383 Q414	D208-Y416 PolarHBondContact OD1-OH 2.99Å; D208-Y416 PolarHBondContact OD2-OH 3.13Å; D208-Y416 VanDerWaalsContact OD2-OH 3.05Å; H210-Y416 HydrophobicContact CB-CE1 3.84Å; H210-Y416 WeakPolarHBondContact CB-OH 3.36Å; L328-Y416 WeakPolarHBondContact CB-O 3.29Å; L328-Y416 PolarHBondContact N-O 2.93Å; L328-Y416 WeakPolarHBondContact O-CE2 3.39Å; R330-Y416 HydrophobicContact CB-CD2 4.28Å; R330-Y416 HydrophobicContact CG-CD2 4.35Å; F331-Y416 AromaticContact CD2-CE2 3.97Å; F331-Y416 HydrophobicContact CD2-CE2 3.97Å; F331-Y416 HydrophobicContact CE2-CD2 4.36Å; F331-Y416 HydrophobicContact CE2-CE1 4.29Å; F331-Y416 AromaticContact CE2-CE2 3.69Å; F331-Y416 HydrophobicContact CE2-CE2 3.69Å; F331-Y416 AromaticContact CE2-CZ 3.67Å; L371-Y416 HydrophobicContact CD2-CD1 3.97Å; L371-Y416 PolarHBondContact O-N 3.34Å; Y383-Y416 AromaticContact CE1-CD1 3.86Å; Y383-Y416 HydrophobicContact CE1-CD1 3.86Å; Y383-Y416 HydrophobicContact CE1-CE1 4.1Å; Q414-Y416 PolarHBondContact O-N 3.49Å
417	V	98	Very high	90.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.3	168.8	-172.4	0	0	0	0	109.4	H210 L213 T325 L326 L371 F419	H210-V417 HydrophobicContact CB-CG2 4.07Å; L213-V417 HydrophobicContact CD2-CG1 4.08Å; T325-V417 HydrophobicContact CG2-CG1 3.63Å; L326-V417 WeakPolarHBondContact O-CA 3.37Å; L371-V417 HydrophobicContact CB-CB 4.16Å; L371-V417 PolarHBondContact N-O 3.17Å; L371-V417 PolarHBondContact O-N 3.19Å; V417-F419 HydrophobicContact CB-CE2 4.17Å; V417-F419 HydrophobicContact CG1-CD2 4.34Å; V417-F419 HydrophobicContact CG1-CE2 3.76Å; V417-F419 HydrophobicContact CG1-CZ 3.93Å
418	L	98.4	Very high	88.2	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.3	177.3	-64.4	167.5	0	0	0	109.9	I281 L326 L328 Y345 L367 V370 A415 Y420	I281-L418 HydrophobicContact CD1-CD1 3.92Å; I281-L418 HydrophobicContact CG1-CD1 3.7Å; L326-L418 HydrophobicContact CB-CB 4.36Å; L326-L418 PolarHBondContact N-O 2.81Å; L326-L418 PolarHBondContact O-N 3.44Å; L328-L418 HydrophobicContact CD2-CD1 4.36Å; Y345-L418 HydrophobicContact CD1-CD1 4.04Å; Y345-L418 HydrophobicContact CD1-CD2 4Å; Y345-L418 HydrophobicContact CD2-CD2 3.66Å; Y345-L418 HydrophobicContact CE1-CD2 4.21Å; Y345-L418 HydrophobicContact CE2-CD2 3.83Å; Y345-L418 HydrophobicContact CG-CD1 3.87Å; Y345-L418 HydrophobicContact CG-CD2 3.76Å; Y345-L418 HydrophobicContact CG-CG 4.5Å; L367-L418 HydrophobicContact CD1-CB 4.32Å; L367-L418 HydrophobicContact CD1-CD2 3.99Å; V370-L418 HydrophobicContact CB-CD2 4.45Å; V370-L418 HydrophobicContact CG1-CD2 4.05Å; V370-L418 HydrophobicContact CG2-CD2 3.94Å; A415-L418 HydrophobicContact CB-CD2 3.54Å; A415-L418 HydrophobicContact CB-CG 4.04Å; L418-Y420 HydrophobicContact CB-CD2 4.2Å; L418-Y420 HydrophobicContact CB-CE2 3.81Å; L418-Y420 HydrophobicContact CD1-CE2 4.17Å
419	F	98.6	Very high	85.2	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.5	177.1	-60.7	-99.9	0	0	0	110.3	C139 L213 T325 Y368 A369 L371 V417	C139-F419 HydrophobicContact CB-CD2 4.04Å; C139-F419 HydrophobicContact CB-CE1 4.34Å; C139-F419 HydrophobicContact CB-CE2 3.55Å; C139-F419 HydrophobicContact CB-CZ 3.71Å; L213-F419 HydrophobicContact CD1-CE1 4.1Å; L213-F419 HydrophobicContact CD1-CZ 4.04Å; L213-F419 HydrophobicContact CD2-CE1 4.01Å; L213-F419 HydrophobicContact CD2-CZ 3.64Å; T325-F419 HydrophobicContact CG2-CD1 4.22Å; T325-F419 HydrophobicContact CG2-CE1 3.95Å; T325-F419 HydrophobicContact CG2-CZ 4.44Å; Y368-F419 HydrophobicContact CD1-CB 4.24Å; Y368-F419 VanDerWaalsContact CD1-O 3.25Å; Y368-F419 WeakPolarHBondContact CD1-O 3.39Å; Y368-F419 HydrophobicContact CE1-CB 3.6Å; Y368-F419 HydrophobicContact CE2-CB 4.22Å; Y368-F419 PolarHBondContact N-O 3Å; A369-F419 HydrophobicContact CB-CB 3.99Å; A369-F419 HydrophobicContact CB-CD2 3.95Å; A369-F419 HydrophobicContact CB-CG 4.23Å; A369-F419 PolarHBondContact N-O 3.38Å; A369-F419 PolarHBondContact O-N 3.22Å; L371-F419 HydrophobicContact CB-CE2 4.27Å; V417-F419 HydrophobicContact CB-CE2 4.17Å; V417-F419 HydrophobicContact CG1-CD2 4.34Å; V417-F419 HydrophobicContact CG1-CE2 3.76Å; V417-F419 HydrophobicContact CG1-CZ 3.93Å
420	Y	98.3	Very high	82.5	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.8	-179.7	-78.5	-84.1	0	0	0	110	V323 L324 L326 P346 L349 G366 L367 L418	V323-Y420 CarbonylContact C-O 3.56Å; V323-Y420 WeakPolarHBondContact CA-O 3.24Å; L324-Y420 PolarHBondContact N-O 3.42Å; L324-Y420 PolarHBondContact O-N 2.78Å; L326-Y420 HydrophobicContact CD1-CD2 4.14Å; L326-Y420 HydrophobicContact CD1-CE2 4Å; L326-Y420 HydrophobicContact CG-CD2 4.47Å; P346-Y420 PolarHBondContact O-OH 2.9Å; L349-Y420 HydrophobicContact CB-CD1 3.98Å; L349-Y420 HydrophobicContact CB-CE1 3.63Å; L349-Y420 HydrophobicContact CD2-CD1 4.39Å; L349-Y420 HydrophobicContact CD2-CD2 4.24Å; L349-Y420 HydrophobicContact CD2-CE1 4.2Å; L349-Y420 HydrophobicContact CD2-CE2 4.05Å; L349-Y420 HydrophobicContact CD2-CG 4.4Å; G366-Y420 WeakPolarHBondContact O-CA 3.43Å; L367-Y420 HydrophobicContact CB-CD1 4.1Å; L367-Y420 HydrophobicContact CB-CE1 3.82Å; L367-Y420 HydrophobicContact CD1-CD1 4.2Å; L367-Y420 HydrophobicContact CD1-CD2 4.17Å; L367-Y420 HydrophobicContact CD1-CE1 3.86Å; L367-Y420 HydrophobicContact CD1-CE2 3.82Å; L367-Y420 HydrophobicContact CD1-CG 4.35Å; L367-Y420 HydrophobicContact CG-CE1 4.43Å; L418-Y420 HydrophobicContact CB-CD2 4.2Å; L418-Y420 HydrophobicContact CB-CE2 3.81Å; L418-Y420 HydrophobicContact CD1-CE2 4.17Å
421	L	97.6	Very high	79.8	Confident	29 Å²	29	70.8 Å²	70.8	15%	0.152	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.1	177.9	176.8	66.8	0	0	0	109.2	L112 P144 P145 V323 Y365 G366 Y368 I423	L112-L421 HydrophobicContact CD2-CD1 4.25Å; P144-L421 HydrophobicContact CG-CD2 3.84Å; P145-L421 HydrophobicContact CG-CD1 4.47Å; V323-L421 HydrophobicContact CG2-CD1 3.93Å; Y365-L421 CarbonylContact C-O 3.56Å; Y365-L421 VanDerWaalsContact CA-O 3.27Å; Y365-L421 WeakPolarHBondContact CA-O 3.35Å; Y365-L421 VanDerWaalsContact CD1-C 3.45Å; G366-L421 PolarHBondContact N-O 3.4Å; G366-L421 PolarHBondContact O-N 2.91Å; Y368-L421 HydrophobicContact CD1-CB 3.59Å; Y368-L421 HydrophobicContact CE1-CB 3.97Å; Y368-L421 HydrophobicContact CG-CB 4.44Å; L421-I423 PolarHBondContact O-N 3.19Å
422	R	95.9	Very high	77	Confident	64 Å²	64	71.7 Å²	71.7	24%	0.242	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	126.4	178.5	-173.6	177.6	176.5	-175	1.6	109.3	N322 Y365 P424 E425	N322-R422 WeakPolarHBondContact O-CB 3.44Å; N322-R422 PolarHBondContact O-N 2.97Å; Y365-R422 HydrophobicContact CD1-CB 4.09Å; Y365-R422 VanDerWaalsContact CD1-N 3.31Å; Y365-R422 HydrophobicContact CE1-CB 3.62Å; Y365-R422 HydrophobicContact CE1-CG 4.36Å; Y365-R422 HydrophobicContact CE2-CG 4.4Å; R422-P424 WeakPolarHBondContact O-CD 3.4Å; R422-E425 IonicContact CZ-OE1 2.76Å; R422-E425 IonicContact NE-OE1 2.73Å; R422-E425 IonicContact NH2-OE1 2.97Å; R422-E425 PolarHBondContact NH2-OE1 2.8Å
423	I	94.2	Very high	74.3	Confident	68 Å²	68	73.8 Å²	73.8	35%	0.349	40%	0.4	S	S	.	.			trans	-80.2	115.9	170.1	-60.9	173	0	0	0	105.9	F348 M364 L421 E425	F348-I423 HydrophobicContact CD1-CD1 3.71Å; F348-I423 HydrophobicContact CE1-CD1 3.8Å; M364-I423 HydrophobicContact CB-CB 4.36Å; M364-I423 HydrophobicContact CB-CD1 4.39Å; M364-I423 PolarHBondContact O-N 3.02Å; L421-I423 PolarHBondContact O-N 3.19Å; I423-E425 PolarHBondContact O-N 3.06Å
424	P	84.1	Confident	71.2	Confident	58 Å²	58	77.8 Å²	77.8	38%	0.377	43%	0.427	S	S	.	.			trans	-65	128.1	176.9	25.9	-32.3	0	0	0	109.2	L112 R422 S426	L112-P424 HydrophobicContact CD1-CB 4.23Å; L112-P424 HydrophobicContact CD1-CG 4.37Å; R422-P424 WeakPolarHBondContact O-CD 3.4Å; P424-S426 PolarHBondContact O-N 3.31Å; P424-S426 VanDerWaalsContact O-N 3.1Å
425	E	74.9	Confident	68.3	Low	96 Å²	96	82.2 Å²	82.2	45%	0.449	46%	0.458	S	S	.	.			trans	-57.3	115.5	174.2	-68.9	131.1	-121	0	0	109.5	R422 I423 K427	R422-E425 IonicContact CZ-OE1 2.76Å; R422-E425 IonicContact NE-OE1 2.73Å; R422-E425 IonicContact NH2-OE1 2.97Å; R422-E425 PolarHBondContact NH2-OE1 2.8Å; I423-E425 PolarHBondContact O-N 3.06Å; E425-K427 PolarHBondContact O-N 3.29Å
426	S	57.3	Low	65.6	Low	109 Å²	109	91 Å²	91	76%	0.762	50%	0.496	S	S	*	.			trans	-66.4	99.4	168.5	57.6	0	0	0	0	108.2	P424 K428	P424-S426 PolarHBondContact O-N 3.31Å; P424-S426 VanDerWaalsContact O-N 3.1Å; S426-K428 PolarHBondContact O-N 3.28Å
427	K	46.6	Very low	62.5	Low	188 Å²	188	100.5 Å²	100.5	82%	0.817	54%	0.541	S	S	*	.			trans	-54.2	110.7	166.8	-70.2	-173.3	175.6	-170.9	0	107.3	E425 N429	E425-K427 PolarHBondContact O-N 3.29Å; K427-N429 PolarHBondContact O-N 3.05Å
428	K	43.5	Very low	59.2	Low	197 Å²	197	104 Å²	104	86%	0.857	58%	0.576	S	S	*	*			trans	-64.9	119.4	156.8	-72.5	-175	174.7	-175.6	0	104.9	S426 A430	S426-K428 PolarHBondContact O-N 3.28Å; K428-A430 PolarHBondContact O-N 2.95Å; K428-A430 VanDerWaalsContact O-N 3.09Å
429	N	34	Very low	55.8	Low	139 Å²	139	112.4 Å²	112.4	74%	0.743	62%	0.618	S	S	*	*			trans	-61.9	116.9	177	-66.8	-11.4	0	0	0	107.7	K427 D431	K427-N429 PolarHBondContact O-N 3.05Å; N429-D431 VanDerWaalsContact C-N 3.27Å
430	A	39.3	Very low	52.5	Low	99 Å²	99	119 Å²	119	82%	0.818	65%	0.653	S	S	*	*			trans	-98	26.9	178.5	0	0	0	0	0	111.3	K428 G432	K428-A430 PolarHBondContact O-N 2.95Å; K428-A430 VanDerWaalsContact O-N 3.09Å; A430-G432 PolarHBondContact O-N 2.84Å
431	D	40.9	Very low	49.3	Very low	157 Å²	157	127.5 Å²	127.5	84%	0.84	69%	0.692	S	S	*	*			trans	-83.3	87.1	170.4	-62.1	-62	0	0	0	107.8	N429	N429-D431 VanDerWaalsContact C-N 3.27Å
432	G	37.4	Very low	45.9	Very low	69 Å²	69	131.8 Å²	131.8	71%	0.711	72%	0.724	S	S	*	*			trans	-155.1	24.1	-169.3	0	0	0	0	0	114.3	A430	A430-G432 PolarHBondContact O-N 2.84Å
433	Q	39.3	Very low	42.6	Very low	178 Å²	178	132.6 Å²	132.6	83%	0.832	74%	0.744	S	S	*	*			trans	-145.3	140.7	173.1	-69.9	-170.6	-21.2	0	0	107.9
434	T	30.7	Very low	39.5	Very low	117 Å²	117	138 Å²	138	72%	0.718	77%	0.766	S	S	*	*			cis	-161.2	143.7	-7.7	12.9	0	0	0	0	108.3
435	T	31.9	Very low	36.8	Very low	150 Å²	150	142.3 Å²	142.3	92%	0.92	79%	0.785	S	S	*	*			trans	-131.4	124.1	161.3	-44.2	0	0	0	0	108.5
436	K	40.1	Very low	34.5	Very low	186 Å²	186	142.7 Å²	142.7	81%	0.809	80%	0.799	S	S	*	*			trans	-108.7	122.5	177.3	-78.9	-173.3	176.5	-176.8	0	110.3
437	Q	32.2	Very low	33	Very low	207 Å²	207	141.6 Å²	141.6	97%	0.967	80%	0.796	S	S	*	*			trans	173.4	133	154.5	-97.7	158.3	16.7	0	0	105.8
438	G	27.8	Very low	32.1	Very low	72 Å²	72	137.7 Å²	137.7	74%	0.742	79%	0.793	S	S	*	*			cis	-175	-172.6	-7.7	0	0	0	0	0	110.5
439	M	28.2	Very low	31.5	Very low	177 Å²	177	132.9 Å²	132.9	87%	0.872	78%	0.784	S	S	*	*			trans	69.5	96.5	161.2	-137.4	148.3	76.2	0	0	120.1
440	L	27.6	Very low	31.4	Very low	139 Å²	139	133 Å²	133	73%	0.728	78%	0.78	S	S	*	*				57.5	146	122.4	-68.6	174.1	0	0	0	124.5
441	H	32.1	Very low	31	Very low	179 Å²	179	135.2 Å²	135.2	83%	0.829	77%	0.773	S	S	*	*			trans	77.7	155.3	160	-65.7	-58.8	0	0	0	120.5
442	S	25.3	Very low	30.7	Very low	118 Å²	118	132.7 Å²	132.7	83%	0.825	76%	0.759	S	S	*	*			trans	-148.3	136.8	-167.2	166.4	0	0	0	0	108.9
443	A	27.2	Very low	30.3	Very low	81 Å²	81	137.7 Å²	137.7	67%	0.669	76%	0.761	S	S	*	*			trans	-171.1	136	150.6	0	0	0	0	0	112.7
444	K	29.1	Very low	30.2	Very low	182 Å²	182	140.3 Å²	140.3	79%	0.791	76%	0.763	S	S	*	*			trans	65.1	124.6	143.5	-67	171.9	-179.1	177.7	0	120.5
445	N	27.3	Very low	30.2	Very low	148 Å²	148	139.1 Å²	139.1	79%	0.791	77%	0.766	S	S	*	*				46.4	148.1	117.8	-55.4	16.3	0	0	0	120.4
446	S	27.1	Very low	30.1	Very low	104 Å²	104	138.4 Å²	138.4	73%	0.727	76%	0.756	S	S	*	*			cis	-177.4	179.8	-13.9	51.1	0	0	0	0	107.9
447	A	26.1	Very low	29.9	Very low	87 Å²	87	136.5 Å²	136.5	72%	0.719	75%	0.754	S	S	*	*			trans	71	105.7	-179.3	0	0	0	0	0	113
448	S	26.4	Very low	29.7	Very low	106 Å²	106	133.3 Å²	133.3	74%	0.741	74%	0.743	S	S	*	*				76.2	114.6	73.9	74.6	0	0	0	0	112.4
449	S	30.8	Very low	29.7	Very low	96 Å²	96	132.3 Å²	132.3	67%	0.671	73%	0.734	S	S	*	*				79.1	138.7	89.1	-146.6	0	0	0	0	110.9
450	E	32.1	Very low	30.4	Very low	142 Å²	142	130.4 Å²	130.4	66%	0.664	73%	0.734	S	S	*	*			cis	-126.4	154.8	24.9	-85.3	-168.1	157.4	0	0	113.2
451	Q	31.3	Very low	30.4	Very low	144 Å²	144	131.4 Å²	131.4	67%	0.673	74%	0.74	S	S	*	*			cis	84.9	168.9	44	-149.8	-152.9	106.3	0	0	112.6
452	I	34.1	Very low	30.2	Very low	104 Å²	104	128.9 Å²	128.9	53%	0.533	74%	0.742	S	S	.	*			trans	89.3	122.6	166.7	-60.7	-178.8	0	0	0	116.8
453	K	29.2	Very low	30.4	Very low	175 Å²	175	128.3 Å²	128.3	76%	0.761	74%	0.738	S	S	*	*			cis	-149.5	151.2	-8.1	-117.3	166	-150.5	156.8	0	113.3
454	R	37.3	Very low	31.1	Very low	232 Å²	232	130.2 Å²	130.2	88%	0.875	74%	0.744	S	S	*	*			trans	-107	168.5	150.2	-73.9	-178.9	174.9	138.1	-5.4	108.5
455	A	30.4	Very low	31.1	Very low	93 Å²	93	130.7 Å²	130.7	77%	0.769	75%	0.748	S	S	*	*			trans	-157.1	156.7	146.3	0	0	0	0	0	110.2
456	N	31	Very low	31.1	Very low	134 Å²	134	130.9 Å²	130.9	72%	0.717	76%	0.755	S	S	*	*			cis	-177.6	147.3	-35.6	-97.7	-6.7	0	0	0	106.6
457	L	36.3	Very low	31.3	Very low	147 Å²	147	129.8 Å²	129.8	77%	0.77	75%	0.752	S	S	*	*			cis	-133	-140.6	-11.5	-97.9	163.7	0	0	0	106.5
458	N	28.1	Very low	31.6	Very low	139 Å²	139	135.8 Å²	135.8	74%	0.743	76%	0.762	S	S	*	*			cis	-155.4	-178.8	-5.9	-143.1	17.7	0	0	0	106.7
459	G	26.7	Very low	31.6	Very low	52 Å²	52	139.7 Å²	139.7	54%	0.536	77%	0.765	S	S	.	*			cis	102.8	132	1.5	0	0	0	0	0	113.8
460	P	42.8	Very low	31.4	Very low	136 Å²	136	142.7 Å²	142.7	88%	0.883	77%	0.773	S	S	*	*			cis	-118.8	-179.9	-4.3	42.2	-28.5	0	0	0	114.7
461	L	28.8	Very low	31.1	Very low	161 Å²	161	143.2 Å²	143.2	84%	0.843	78%	0.776	S	S	*	*			trans	-148.7	145.3	-179.9	-162.3	154.5	0	0	0	108.4
462	S	26.7	Very low	31.7	Very low	126 Å²	126	142 Å²	142	88%	0.881	78%	0.78	S	S	*	*			trans	-158.1	158.6	169.2	-88	0	0	0	0	114.1
463	S	30.9	Very low	31.6	Very low	106 Å²	106	140.2 Å²	140.2	74%	0.741	78%	0.781	S	S	*	*			trans	-153	151.6	-174.6	173.7	0	0	0	0	109.5
464	P	41.5	Very low	31.6	Very low	121 Å²	121	140 Å²	140	79%	0.786	78%	0.783	S	S	*	*			trans	-114	144.8	170.4	36.6	-27.6	0	0	0	114.7
465	Q	28	Very low	31.2	Very low	191 Å²	191	134.3 Å²	134.3	89%	0.893	77%	0.769	S	S	*	*			trans	-140.7	130.2	158.6	-76.8	-164.1	3.2	0	0	110.3
466	V	28.2	Very low	31.2	Very low	153 Å²	153	140.4 Å²	140.4	93%	0.927	77%	0.773	S	S	*	*			trans	-146.7	160.8	156.7	-171.4	0	0	0	0	107.4
467	A	29.8	Very low	31.1	Very low	81 Å²	81	142.5 Å²	142.5	67%	0.669	78%	0.775	S	S	*	*			trans	-140.8	153.7	-172.8	0	0	0	0	0	115
468	K	33.4	Very low	30.9	Very low	212 Å²	212	141.2 Å²	141.2	92%	0.922	77%	0.768	S	S	*	*			trans	72.4	153.7	178.6	-51.1	172	-177.8	172.7	0	112.5
469	K	25.3	Very low	30.8	Very low	188 Å²	188	143 Å²	143	82%	0.817	77%	0.772	S	S	*	*			cis	-161.3	141.7	29.3	-178.7	-170.3	174.6	-167.9	0	111.6
470	L	27.8	Very low	30.9	Very low	160 Å²	160	145.1 Å²	145.1	84%	0.838	78%	0.778	S	S	*	*			trans	40.5	136.7	158.8	-76.7	150.8	0	0	0	123.8
471	E	26.2	Very low	30.2	Very low	153 Å²	153	146.5 Å²	146.5	72%	0.715	78%	0.775	S	S	*	*			trans	-76.5	163.5	161.7	-106.3	-82.9	107.8	0	0	111.3	A473	E471-A473 PolarHBondContact OE1-N 2.8Å; E471-A473 PolarHBondContact OE2-N 3.32Å
472	P	42.6	Very low	30.2	Very low	117 Å²	117	145.7 Å²	145.7	76%	0.76	77%	0.772	S	S	*	*				-148.3	143.3	60.1	38.8	-17.6	0	0	0	120.9
473	A	31.6	Very low	30.3	Very low	68 Å²	68	143 Å²	143	56%	0.562	76%	0.763	S	S	*	*			trans	59	129.9	138.6	0	0	0	0	0	122.6	E471	E471-A473 PolarHBondContact OE1-N 2.8Å; E471-A473 PolarHBondContact OE2-N 3.32Å
474	Q	30	Very low	30.2	Very low	169 Å²	169	141.7 Å²	141.7	79%	0.79	77%	0.766	S	S	*	*				-176	142.5	102	-98	-170.2	27.9	0	0	116.3
475	L	29.1	Very low	29.6	Very low	114 Å²	114	145 Å²	145	60%	0.597	78%	0.777	S	S	*	*			trans	57.9	124.6	143.3	-62.4	175.1	0	0	0	124.3
476	R	30.8	Very low	29.4	Very low	221 Å²	221	139.6 Å²	139.6	83%	0.834	77%	0.772	S	S	*	*			trans	72.2	149.5	133.9	-71.7	174.4	-176.2	176.6	3.7	118.4
477	K	28.1	Very low	29.6	Very low	178 Å²	178	140.3 Å²	140.3	77%	0.774	77%	0.77	S	S	*	*			cis	-170.2	171.2	-11.5	-176.6	-163	170.1	-168.3	0	107.5
478	I	31.5	Very low	30	Very low	120 Å²	120	141.9 Å²	141.9	62%	0.615	77%	0.773	S	S	*	*			trans	90	115.8	158.5	-55.4	-170.6	0	0	0	117.9
479	Q	27.5	Very low	29.5	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	77%	0.77	S	S	*	*				29.2	163.3	129.2	-61.9	165.8	-17.3	0	0	121.7
480	S	27.6	Very low	29.5	Very low	96 Å²	96	134.8 Å²	134.8	67%	0.671	77%	0.768	S	S	*	*			cis	179.8	157.6	-21	178.9	0	0	0	0	108.5
481	M	28.6	Very low	29.7	Very low	164 Å²	164	137.9 Å²	137.9	81%	0.808	77%	0.768	S	S	*	*			trans	61.4	167.8	169.7	95.3	164.9	74	0	0	115.6
482	D	28.6	Very low	29.8	Very low	145 Å²	145	138.8 Å²	138.8	78%	0.775	78%	0.778	S	S	*	*			cis	-143.9	-177.5	-21.4	-142.9	-48.2	0	0	0	108.8
483	G	28.6	Very low	29	Very low	68 Å²	68	136.3 Å²	136.3	70%	0.701	77%	0.774	S	S	*	*			trans	-74.6	178.5	164.5	0	0	0	0	0	113.4
484	G	28.8	Very low	28.8	Very low	79 Å²	79	139.7 Å²	139.7	81%	0.814	79%	0.787	S	S	*	*			trans	168.1	101.4	177	0	0	0	0	0	112.5	G486	G484-G486 PolarHBondContact O-N 3.33Å
485	L	28.6	Very low	28.6	Very low	191 Å²	191	139 Å²	139	100%	1	79%	0.789	S	S	*	*			trans	-67.6	126.8	173.1	-66.3	161.7	0	0	0	109.5
486	G	25.1	Very low	28.6	Very low	77 Å²	77	139 Å²	139	79%	0.794	80%	0.798	S	S	*	*			trans	-168.4	75.6	-174.5	0	0	0	0	0	115.5	G484	G484-G486 PolarHBondContact O-N 3.33Å
487	L	31.5	Very low	28.6	Very low	169 Å²	169	137.3 Å²	137.3	89%	0.885	80%	0.8	S	S	*	*			trans	-89	158.6	149	-73.8	170.5	0	0	0	107.8
488	P	38	Very low	29.3	Very low	113 Å²	113	134.1 Å²	134.1	73%	0.734	80%	0.797	S	S	*	*			cis	-133.8	-140.9	2	38.8	-17.3	0	0	0	112.3
489	V	23.8	Very low	29.2	Very low	140 Å²	140	136.7 Å²	136.7	85%	0.848	81%	0.807	S	S	*	*			trans	81.4	107.2	171.1	-167.3	0	0	0	0	115.9
490	S	26.1	Very low	30	Very low	111 Å²	111	133.2 Å²	133.2	78%	0.776	80%	0.8	S	S	*	*			trans	-120.8	125	168.3	171	0	0	0	0	109.4
491	R	32.1	Very low	30	Very low	225 Å²	225	139.2 Å²	139.2	85%	0.849	81%	0.808	S	S	*	*			trans	170.4	139.4	137.5	-101.5	172.4	166.8	171.2	-4.7	112.1
492	N	26.8	Very low	30	Very low	172 Å²	172	138.8 Å²	138.8	92%	0.92	81%	0.808	S	S	*	*				-157.5	150.8	107.9	-105	-19.3	0	0	0	111.6
493	G	26.7	Very low	29.9	Very low	65 Å²	65	137 Å²	137	67%	0.67	81%	0.806	S	S	*	*			trans	160.1	73	-171.9	0	0	0	0	0	113.7
494	V	27.6	Very low	29.7	Very low	139 Å²	139	138.2 Å²	138.2	84%	0.842	80%	0.804	S	S	*	*			trans	44.6	122.1	139.6	-173.2	0	0	0	0	117.8
495	N	25.2	Very low	29.4	Very low	156 Å²	156	145.3 Å²	145.3	83%	0.834	81%	0.807	S	S	*	*			cis	-154.9	172.1	-0.9	-140.7	3.4	0	0	0	110.9
496	S	28.2	Very low	29.2	Very low	113 Å²	113	142.7 Å²	142.7	79%	0.79	80%	0.799	S	S	*	*			trans	-150.6	152.4	174.6	55.9	0	0	0	0	114.5
497	Q	31	Very low	29.2	Very low	186 Å²	186	144.4 Å²	144.4	87%	0.869	80%	0.799	S	S	*	*			trans	-163.3	161.9	174.1	-106.8	-155.2	-26.4	0	0	110.1
498	P	43.8	Very low	28.8	Very low	111 Å²	111	141.5 Å²	141.5	72%	0.721	79%	0.792	S	S	*	*			cis	-128.1	178.4	-29.1	33.2	-15.2	0	0	0	113.2
499	Q	28.8	Very low	28.1	Very low	173 Å²	173	141 Å²	141	81%	0.808	79%	0.791	S	S	*	*			trans	-102.6	167.6	179.3	-85	-87.1	-34.8	0	0	112.8
500	P	45.7	Very low	28.1	Very low	105 Å²	105	139 Å²	139	68%	0.682	78%	0.784	S	S	*	*				-135	151.4	123.1	37.3	-28.2	0	0	0	112.9
501	R	27.5	Very low	28	Very low	222 Å²	222	138.3 Å²	138.3	84%	0.838	78%	0.779	S	S	*	*			cis	-162	156.3	-9.2	-103.8	179	-172.3	-151.3	4.2	108.3
502	L	28.1	Very low	27.6	Very low	155 Å²	155	135.4 Å²	135.4	81%	0.812	78%	0.78	S	S	*	*			trans	11.9	148	149.5	-59.3	147.9	0	0	0	120
503	S	27.2	Very low	27.5	Very low	107 Å²	107	131.3 Å²	131.3	75%	0.748	78%	0.778	S	S	*	*			cis	-179.7	-174.4	-9.1	60.8	0	0	0	0	107.4
504	S	24.1	Very low	27.6	Very low	94 Å²	94	132.8 Å²	132.8	66%	0.657	79%	0.785	S	S	*	*			cis	-164.4	175.8	1.9	-153.7	0	0	0	0	112.3
505	W	21.8	Very low	28.3	Very low	228 Å²	228	132 Å²	132	86%	0.864	78%	0.783	S	S	*	*			trans	59	131.7	151	-81.4	9.7	0	0	0	126.1
506	T	24.9	Very low	28.6	Very low	135 Å²	135	133.9 Å²	133.9	83%	0.828	78%	0.783	S	S	*	*			trans	78	165.3	149.2	54.6	0	0	0	0	121
507	S	24.4	Very low	28.7	Very low	114 Å²	114	134.7 Å²	134.7	80%	0.797	78%	0.783	S	S	*	*			trans	-123.6	157.3	-150.6	-47.1	0	0	0	0	113.7
508	S	23.3	Very low	29.4	Very low	107 Å²	107	132.1 Å²	132.1	75%	0.748	78%	0.782	S	S	*	*			trans	136.3	146.5	140.7	-60.5	0	0	0	0	115.6
509	S	22.6	Very low	28.6	Very low	102 Å²	102	130.4 Å²	130.4	71%	0.713	79%	0.785	S	S	*	*			trans	51.7	118.6	142.4	61.8	0	0	0	0	122.9
510	S	23.5	Very low	28.5	Very low	100 Å²	100	125.8 Å²	125.8	70%	0.699	78%	0.784	S	S	*	*				63.8	123.7	128.7	67	0	0	0	0	123.8
511	S	24.4	Very low	28.6	Very low	96 Å²	96	126.4 Å²	126.4	67%	0.671	79%	0.788	S	S	*	*				80	142.1	127.1	74.2	0	0	0	0	123.4
512	N	25	Very low	28.7	Very low	164 Å²	164	121.9 Å²	121.9	88%	0.877	79%	0.785	S	S	*	*			trans	65.9	139	150.4	-60.1	-14.6	0	0	0	121.6
513	G	24	Very low	28.7	Very low	85 Å²	85	120.5 Å²	120.5	88%	0.876	78%	0.783	S	S	*	*			trans	140.2	123.7	154	0	0	0	0	0	116.7
514	A	28.5	Very low	28.8	Very low	97 Å²	97	123 Å²	123	80%	0.802	79%	0.786	S	S	*	*			trans	-144.3	147.9	165.5	0	0	0	0	0	110.4
515	P	42.9	Very low	28.9	Very low	123 Å²	123	125.4 Å²	125.4	80%	0.799	79%	0.787	S	S	*	*				-135.7	140.9	128.3	10.5	12.4	0	0	0	112.4
516	K	30.3	Very low	29.3	Very low	194 Å²	194	120 Å²	120	84%	0.843	77%	0.771	S	S	*	*				66.3	118.6	82.4	-79.5	-170.8	173.8	179.1	0	115.2
517	V	30.1	Very low	30	Very low	131 Å²	131	116.4 Å²	116.4	79%	0.794	75%	0.751	S	S	*	*				87.6	125.1	60.3	163.1	0	0	0	0	111.7
518	P	45.8	Very low	30.1	Very low	131 Å²	131	117 Å²	117	85%	0.851	74%	0.739	S	S	*	*				-139.1	179.4	80	37.5	-20.1	0	0	0	114.5
519	G	28.6	Very low	30.3	Very low	75 Å²	75	118.2 Å²	118.2	77%	0.773	73%	0.731	S	S	*	*			cis	172	145.3	-3.8	0	0	0	0	0	107.3
520	G	26.1	Very low	30.5	Very low	77 Å²	77	120.6 Å²	120.6	79%	0.794	73%	0.728	S	S	*	*				107.7	159.9	55.9	0	0	0	0	0	110.3
521	P	47.1	Very low	30.6	Very low	117 Å²	117	121.3 Å²	121.3	76%	0.76	73%	0.728	S	S	*	*			cis	-145.3	162.4	-15.8	44.6	-26.3	0	0	0	118.2
522	T	30.6	Very low	30.6	Very low	128 Å²	128	124.9 Å²	124.9	79%	0.785	73%	0.732	S	S	*	*			trans	30.1	157.1	141.5	59.2	0	0	0	0	127.4
523	V	28.2	Very low	30.7	Very low	125 Å²	125	126 Å²	126	76%	0.758	73%	0.729	S	S	*	*				163.3	139.3	121.7	155.3	0	0	0	0	117.5
524	I	27.6	Very low	31.3	Very low	159 Å²	159	127.3 Å²	127.3	82%	0.815	72%	0.722	S	S	*	*			trans	68.8	155.5	162.7	-83.3	166.6	0	0	0	120
525	E	26.1	Very low	31.3	Very low	145 Å²	145	127.7 Å²	127.7	68%	0.678	72%	0.719	S	S	*	*			cis	-154.8	-170.6	-25.4	-104.6	-132.8	-92.5	0	0	107.8
526	E	30.6	Very low	31.3	Very low	114 Å²	114	127.8 Å²	127.8	53%	0.533	72%	0.719	S	S	.	*			cis	67.7	173	14.4	-87.5	-65.5	60.3	0	0	118.3	R956	E526-R956 VanDerWaalsContact CD-NH2 3.28Å; E526-R956 IonicContact OE1-CZ 3.3Å; E526-R956 IonicContact OE1-NH1 3.98Å; E526-R956 IonicContact OE1-NH2 2.74Å; E526-R956 PolarHBondContact OE1-NH2 3.5Å; E526-R956 IonicContact OE2-CZ 2.8Å; E526-R956 IonicContact OE2-NH1 3.67Å; E526-R956 PolarHBondContact OE2-NH1 3.18Å; E526-R956 IonicContact OE2-NH2 3.83Å; E526-R956 PolarHBondContact OE2-NH2 3.15Å
527	P	40.2	Very low	31.2	Very low	61 Å²	61	127.2 Å²	127.2	40%	0.396	72%	0.72	S	S	.	*			cis	-134.6	177.2	-25.9	33.7	-13.4	0	0	0	119
528	F	26.4	Very low	31.2	Very low	125 Å²	125	125.9 Å²	125.9	55%	0.548	72%	0.716	S	S	.	*			trans	83.6	118.1	149.8	-62.4	-19.3	0	0	0	122.1
529	K	28.2	Very low	30.4	Very low	133 Å²	133	128.1 Å²	128.1	58%	0.578	72%	0.715	S	S	*	*				87.2	149.5	79.2	-76.6	170.8	-172.4	156.1	0	114.5
530	K	25.6	Very low	30.2	Very low	152 Å²	152	128.7 Å²	128.7	66%	0.661	71%	0.712	S	S	*	*			cis	179.8	170.9	-21.6	-143.7	-178.3	-176.6	-179.9	0	108.8
531	V	26.9	Very low	30.2	Very low	116 Å²	116	133.6 Å²	133.6	70%	0.703	71%	0.714	S	S	*	*			trans	72.4	146.2	150	161.9	0	0	0	0	118
532	K	24.3	Very low	29.4	Very low	171 Å²	171	133 Å²	133	74%	0.743	71%	0.713	S	S	*	*			cis	-169.7	160.1	-18.1	-107.3	-178.1	-176.7	173.5	0	111.1
533	K	26.8	Very low	29.3	Very low	188 Å²	188	138.2 Å²	138.2	82%	0.817	72%	0.719	S	S	*	*			trans	64.8	168.1	144.8	-87.9	-165.4	167.7	-165.9	0	119.8
534	P	37.3	Very low	29.2	Very low	111 Å²	111	136.9 Å²	136.9	72%	0.721	72%	0.715	S	S	*	*			cis	-134.2	-177.6	-32.7	37.8	-20.9	0	0	0	114.1
535	S	27	Very low	29.3	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	72%	0.715	S	S	*	*			trans	-83.2	167.7	158	52.1	0	0	0	0	112.3
536	P	43.8	Very low	29.4	Very low	125 Å²	125	135.5 Å²	135.5	81%	0.812	72%	0.724	S	S	*	*				-140.2	-170.5	107.8	39.4	-26.4	0	0	0	114.7
537	Q	28.8	Very low	30.1	Very low	182 Å²	182	135.9 Å²	135.9	85%	0.85	74%	0.736	S	S	*	*			trans	-98.3	165.4	-174.8	-54	146.9	-80	0	0	112.6
538	S	29.2	Very low	29.7	Very low	103 Å²	103	139.2 Å²	139.2	72%	0.72	76%	0.756	S	S	*	*				168.5	162	116.1	63	0	0	0	0	116.5
539	Q	28.5	Very low	30.8	Very low	178 Å²	178	138.8 Å²	138.8	83%	0.832	77%	0.766	S	S	*	*			trans	65.1	112.2	146.3	-78	171.3	-8.7	0	0	125.1
540	A	25.8	Very low	31.3	Very low	86 Å²	86	138 Å²	138	71%	0.711	78%	0.776	S	S	*	*				62.1	123.6	109.8	0	0	0	0	0	125.3
541	Q	25.7	Very low	31.4	Very low	180 Å²	180	135.5 Å²	135.5	84%	0.841	78%	0.778	S	S	*	*				59.5	114.7	129.5	-66.5	-176	-19.3	0	0	124.9
542	S	30.3	Very low	31.6	Very low	105 Å²	105	138 Å²	138	73%	0.734	79%	0.788	S	S	*	*				89.4	165.8	125.4	82.8	0	0	0	0	123.1
543	R	27.1	Very low	31.7	Very low	238 Å²	238	133.3 Å²	133.3	90%	0.898	79%	0.788	S	S	*	*			trans	78.7	148.3	170.6	-74.9	-174.7	175.1	-158	-2.7	118.4
544	S	27	Very low	31.7	Very low	96 Å²	96	131.2 Å²	131.2	67%	0.671	79%	0.791	S	S	*	*			cis	-164.1	140.3	-3.9	42.9	0	0	0	0	116.1
545	T	30.1	Very low	31.2	Very low	134 Å²	134	132.4 Å²	132.4	82%	0.822	80%	0.796	S	S	*	*			trans	28.1	145.5	140.2	61.7	0	0	0	0	125.4
546	T	28	Very low	31.3	Very low	141 Å²	141	138 Å²	138	87%	0.865	80%	0.801	S	S	*	*			trans	-136	156.7	148.7	19.8	0	0	0	0	111.1
547	P	46	Very low	30.6	Very low	122 Å²	122	137.6 Å²	137.6	79%	0.792	80%	0.797	S	S	*	*			trans	-111.2	178.6	-160.3	42	-36.1	0	0	0	118.6
548	T	30.9	Very low	30.6	Very low	132 Å²	132	138.5 Å²	138.5	81%	0.81	80%	0.801	S	S	*	*			trans	-81.6	-167.7	172.9	43.1	0	0	0	0	112.5
549	P	50.8	Low	30.6	Very low	116 Å²	116	137.4 Å²	137.4	75%	0.753	81%	0.805	S	S	*	*			cis	-128.9	-175.1	10.8	44.4	-25.2	0	0	0	114.8
550	S	37.6	Very low	30.8	Very low	115 Å²	115	135 Å²	135	80%	0.804	80%	0.798	S	S	*	*			cis	91.3	115.6	11.9	-165.3	0	0	0	0	119.1
551	S	28	Very low	31	Very low	100 Å²	100	138.4 Å²	138.4	70%	0.699	80%	0.797	S	S	*	*			trans	-172.7	129.5	161.9	60.6	0	0	0	0	116.2
552	N	30.2	Very low	31.5	Very low	169 Å²	169	138.1 Å²	138.1	90%	0.904	79%	0.793	S	S	*	*			trans	58.5	160.9	144.4	-53.5	-11.7	0	0	0	120.7
553	G	26.5	Very low	31.8	Very low	73 Å²	73	140 Å²	140	75%	0.753	79%	0.791	S	S	*	*			cis	-160.4	-156.5	6.5	0	0	0	0	0	114.1
554	V	28.4	Very low	31.8	Very low	144 Å²	144	133.1 Å²	133.1	87%	0.873	78%	0.778	S	S	*	*			trans	-134.8	132.7	-160.1	175.7	0	0	0	0	116
555	T	25.5	Very low	31.9	Very low	136 Å²	136	131.4 Å²	131.4	83%	0.834	78%	0.776	S	S	*	*			trans	-169.7	160.1	160.6	16.7	0	0	0	0	109.4
556	R	28.6	Very low	31.8	Very low	223 Å²	223	134.8 Å²	134.8	84%	0.842	78%	0.783	S	S	*	*			cis	79.4	128.6	8.2	-77	-164.4	176.4	-154.8	-0.5	119.3
557	T	30.7	Very low	31.9	Very low	117 Å²	117	131.9 Å²	131.9	72%	0.718	78%	0.781	S	S	*	*			cis	-164.2	168	-17.2	-0.4	0	0	0	0	110.7
558	E	27.3	Very low	31.2	Very low	200 Å²	200	138.5 Å²	138.5	94%	0.935	79%	0.79	S	S	*	*			trans	74.7	147.6	171.8	-55.7	-163.5	108.5	0	0	119.5
559	G	30.2	Very low	31.1	Very low	80 Å²	80	135.3 Å²	135.3	83%	0.825	78%	0.784	S	S	*	*			trans	147	29.5	171.4	0	0	0	0	0	123.8
560	D	32.8	Very low	30.2	Very low	128 Å²	128	139 Å²	139	68%	0.684	79%	0.793	S	S	*	*			trans	44.6	141.1	159	-144.7	3.1	0	0	0	125.5
561	K	30.1	Very low	29.7	Very low	157 Å²	157	138 Å²	138	68%	0.683	79%	0.792	S	S	*	*			trans	58.2	110.5	154.8	-92.3	163.9	-153.7	72.9	0	125.6
562	K	36.3	Very low	29.8	Very low	174 Å²	174	137.5 Å²	137.5	76%	0.757	79%	0.794	S	S	*	*				49.8	137.1	127.7	-69	-169.3	168.4	-125.1	0	120.7
563	Q	35.2	Very low	30	Very low	146 Å²	146	134.8 Å²	134.8	68%	0.682	79%	0.788	S	S	*	*			cis	-164.7	173.1	-5.5	-121.2	179.4	-96.6	0	0	106.4
564	S	28.6	Very low	29.9	Very low	92 Å²	92	138 Å²	138	64%	0.643	79%	0.793	S	S	*	*			cis	-147.3	-167.5	8.4	-138.8	0	0	0	0	107.2
565	G	27.4	Very low	29.8	Very low	60 Å²	60	134.8 Å²	134.8	62%	0.619	78%	0.777	S	S	*	*			cis	98.3	119.4	10.6	0	0	0	0	0	112.7
566	E	28.3	Very low	29.8	Very low	206 Å²	206	137.6 Å²	137.6	96%	0.963	78%	0.778	S	S	*	*			cis	-148.2	162.7	2.1	-73.3	-170.5	97.2	0	0	112.8
567	G	31	Very low	29.7	Very low	80 Å²	80	136 Å²	136	83%	0.825	78%	0.777	S	S	*	*			trans	-151.9	173.1	-178.7	0	0	0	0	0	113.4
568	R	31.8	Very low	29.5	Very low	260 Å²	260	134.3 Å²	134.3	98%	0.981	77%	0.771	S	S	*	*			trans	-103.7	148.1	-176.9	-64.3	-175.7	-179.6	-177.3	3.2	112.8
569	G	28.7	Very low	29.3	Very low	66 Å²	66	132.3 Å²	132.3	68%	0.68	77%	0.765	S	S	*	*			trans	155.9	92.7	159.1	0	0	0	0	0	116.6
570	M	30.2	Very low	29.1	Very low	192 Å²	192	132.8 Å²	132.8	95%	0.946	76%	0.756	S	S	*	*			trans	-162.7	161.3	170	-79.8	-51.7	160.5	0	0	108
571	A	27	Very low	28.6	Very low	95 Å²	95	134.3 Å²	134.3	79%	0.785	76%	0.764	S	S	*	*			cis	-162.1	-161.5	-19.1	0	0	0	0	0	107.3
572	A	30.1	Very low	28.5	Very low	90 Å²	90	132.8 Å²	132.8	74%	0.744	77%	0.773	S	S	*	*			trans	-126.6	152.6	-169.5	0	0	0	0	0	116.5
573	S	34.8	Very low	27.9	Very low	111 Å²	111	130 Å²	130	78%	0.776	78%	0.776	S	S	*	*			trans	78.8	164	151.9	-61.4	0	0	0	0	121.3
574	T	25.6	Very low	27.4	Very low	141 Å²	141	127.9 Å²	127.9	87%	0.865	78%	0.777	S	S	*	*			trans	90.8	152.8	179.2	70.4	0	0	0	0	117.3
575	S	26.5	Very low	27.2	Very low	76 Å²	76	128.1 Å²	128.1	53%	0.531	79%	0.785	S	S	.	*			cis	-170.6	155.7	-34.6	-167.1	0	0	0	0	111.6
576	F	25.1	Very low	27	Very low	195 Å²	195	132.5 Å²	132.5	86%	0.855	79%	0.794	S	S	*	*			trans	62.7	-178.9	172.9	-37	-67.3	0	0	0	115.1
577	K	26.8	Very low	26.9	Very low	189 Å²	189	129.1 Å²	129.1	82%	0.822	79%	0.788	S	S	*	*			cis	-157.9	172.8	-8.6	-142.4	-174.3	158.3	-175.2	0	105.8
578	S	26.1	Very low	26.8	Very low	83 Å²	83	130.5 Å²	130.5	58%	0.58	78%	0.78	S	S	*	*			cis	-144.9	-157.3	4.9	-57.9	0	0	0	0	106.9
579	L	22.7	Very low	26.7	Very low	158 Å²	158	125.2 Å²	125.2	83%	0.827	77%	0.771	S	S	*	*			cis	68.9	132.6	8.5	-47.1	-178.2	0	0	0	119
580	S	25.5	Very low	26.8	Very low	89 Å²	89	126.8 Å²	126.8	62%	0.622	77%	0.772	S	S	*	*			cis	-161.6	175.3	-18.1	-83.9	0	0	0	0	108.7
581	D	22.2	Very low	26.7	Very low	160 Å²	160	125.2 Å²	125.2	86%	0.856	76%	0.76	S	S	*	*			trans	123.1	156.7	147.2	-62.7	-14.6	0	0	0	118.2
582	S	28.4	Very low	26.9	Very low	125 Å²	125	127.8 Å²	127.8	87%	0.874	76%	0.756	S	S	*	*			trans	-141.6	127.6	-159.4	-58.2	0	0	0	0	113.2
583	S	23.8	Very low	26.9	Very low	116 Å²	116	128.1 Å²	128.1	81%	0.811	75%	0.752	S	S	*	*			trans	-168.8	173.6	159.9	85.5	0	0	0	0	108.4
584	S	24.3	Very low	26.6	Very low	101 Å²	101	129.7 Å²	129.7	71%	0.706	76%	0.757	S	S	*	*			cis	-177.2	143.6	-41.3	56.1	0	0	0	0	108
585	A	25.3	Very low	26.6	Very low	98 Å²	98	125.8 Å²	125.8	81%	0.81	75%	0.745	S	S	*	*			trans	66.1	146.8	160.1	0	0	0	0	0	120.2
586	D	23.4	Very low	27.6	Very low	151 Å²	151	127.5 Å²	127.5	81%	0.807	75%	0.754	S	S	*	*			trans	-64.2	165.3	-172.8	-54.8	-89	0	0	0	117.7
587	T	26.7	Very low	27.7	Very low	136 Å²	136	127.8 Å²	127.8	83%	0.834	76%	0.755	S	S	*	*			trans	-151.1	108.2	138	11.2	0	0	0	0	111.8
588	T	28.1	Very low	27.7	Very low	109 Å²	109	124.4 Å²	124.4	67%	0.669	76%	0.755	S	S	*	*			trans	22.9	121.6	130.9	52.7	0	0	0	0	119
589	D	29.8	Very low	27.5	Very low	149 Å²	149	129.2 Å²	129.2	80%	0.797	77%	0.768	S	S	*	*				73.6	143.4	84.8	-97.6	-55.7	0	0	0	114.3
590	S	30.9	Very low	29.3	Very low	98 Å²	98	126.1 Å²	126.1	69%	0.685	76%	0.758	S	S	*	*				-161.6	169.2	54	-49.8	0	0	0	0	115.4
591	K	28.1	Very low	29.3	Very low	159 Å²	159	129.5 Å²	129.5	69%	0.691	77%	0.767	S	S	*	*			trans	77.6	153.6	156.5	-68.5	-165	171.3	-71.3	0	117.3
592	E	30.6	Very low	29.5	Very low	150 Å²	150	132.2 Å²	132.2	70%	0.701	77%	0.766	S	S	*	*			cis	-175.5	172	-26	-110.7	160.5	-155.1	0	0	106.2
593	S	31.2	Very low	29.4	Very low	96 Å²	96	133 Å²	133	67%	0.671	76%	0.756	S	S	*	*			cis	-162.7	-176.1	-6.3	48	0	0	0	0	106.3
594	V	26.9	Very low	29.4	Very low	144 Å²	144	134.1 Å²	134.1	87%	0.873	76%	0.757	S	S	*	*			cis	-137.9	-136.7	6.5	-154.8	0	0	0	0	108.8
595	G	26.1	Very low	30.2	Very low	60 Å²	60	134.4 Å²	134.4	62%	0.619	76%	0.757	S	S	*	*			trans	-162.4	-152.4	170	0	0	0	0	0	110.3
596	P	47.6	Very low	30.3	Very low	112 Å²	112	134.3 Å²	134.3	73%	0.727	75%	0.75	S	S	*	*			cis	-144.2	161.8	-2.1	41.9	-24.2	0	0	0	117.7
597	K	28.3	Very low	30.6	Very low	200 Å²	200	133.7 Å²	133.7	87%	0.87	75%	0.752	S	S	*	*			trans	59.3	167.1	143.4	-66.6	175.5	178.9	179.5	0	118.8
598	S	26.4	Very low	31.3	Very low	118 Å²	118	132.2 Å²	132.2	83%	0.825	75%	0.745	S	S	*	*			cis	-140.6	176.6	16.6	-59.3	0	0	0	0	113.2
599	E	21.4	Very low	31.2	Very low	184 Å²	184	138.2 Å²	138.2	86%	0.86	76%	0.755	S	S	*	*			trans	-127.3	-146.8	-172.9	-154.4	-162.5	-149.9	0	0	113.7
600	P	61	Low	31.2	Very low	93 Å²	93	141.4 Å²	141.4	60%	0.604	76%	0.762	S	S	*	*			trans	-111.2	-167.8	-131.3	41	-23.8	0	0	0	115.5
601	I	25.2	Very low	30.9	Very low	160 Å²	160	139.7 Å²	139.7	82%	0.821	76%	0.76	S	S	*	*			trans	162.2	129.5	138.5	-84.8	160.5	0	0	0	116.5
602	R	25.7	Very low	30.9	Very low	218 Å²	218	138 Å²	138	82%	0.823	77%	0.768	S	S	*	*			trans	58.8	-165.1	145.9	-127.8	164.4	-177.7	170.8	2.2	125.2
603	E	26.5	Very low	30.7	Very low	142 Å²	142	135.6 Å²	135.6	66%	0.664	77%	0.768	S	S	*	*			trans	-128.4	173.6	-138	-61	161.7	104.6	0	0	116.1
604	T	24.2	Very low	30.6	Very low	138 Å²	138	135.6 Å²	135.6	85%	0.847	77%	0.768	S	S	*	*			trans	94.4	-178.9	163.8	78.6	0	0	0	0	118.2
605	P	41.1	Very low	30.6	Very low	107 Å²	107	137 Å²	137	70%	0.695	77%	0.769	S	S	*	*				-136.9	170.2	-108.5	39.8	-17.7	0	0	0	120.6
606	S	26.2	Very low	30.6	Very low	96 Å²	96	138.3 Å²	138.3	67%	0.671	77%	0.774	S	S	*	*			trans	68.3	105	145.7	54.9	0	0	0	0	124.9
607	T	30.3	Very low	29.8	Very low	138 Å²	138	138.3 Å²	138.3	85%	0.847	78%	0.777	S	S	*	*			trans	70.3	175.1	143.4	74.9	0	0	0	0	118.5
608	P	41.1	Very low	30.4	Very low	105 Å²	105	134.5 Å²	134.5	68%	0.682	77%	0.773	S	S	*	*			cis	-142.2	178.2	1.6	44.6	-26.3	0	0	0	119.4
609	R	27.4	Very low	30.3	Very low	236 Å²	236	133 Å²	133	89%	0.891	77%	0.767	S	S	*	*			trans	72.4	121	144.4	-84.6	174.3	178.9	-166.5	-0.3	124.5
610	K	28.6	Very low	30.5	Very low	215 Å²	215	135.8 Å²	135.8	94%	0.935	77%	0.77	S	S	*	*			trans	142.2	144.4	134.8	-82.4	-178.5	178.7	-178.3	0	110.3
611	G	24.2	Very low	28.8	Very low	62 Å²	62	135.7 Å²	135.7	64%	0.639	77%	0.772	S	S	*	*			cis	154.6	142.7	-8.7	0	0	0	0	0	112.2
612	S	29.6	Very low	28.9	Very low	123 Å²	123	134.1 Å²	134.1	86%	0.86	77%	0.769	S	S	*	*			trans	66.6	145	179.6	69.2	0	0	0	0	117.8
613	S	26.4	Very low	28.8	Very low	101 Å²	101	130 Å²	130	71%	0.706	76%	0.759	S	S	*	*			cis	-163.6	129.9	-17.3	46.5	0	0	0	0	114.2
614	S	27.6	Very low	28.9	Very low	95 Å²	95	131.9 Å²	131.9	66%	0.664	76%	0.76	S	S	*	*			trans	54.4	123.5	137.8	64.7	0	0	0	0	124.2
615	L	27.9	Very low	29	Very low	173 Å²	173	130.2 Å²	130.2	91%	0.906	75%	0.754	S	S	*	*				68.5	149.2	127.8	-64.5	174.1	0	0	0	119.5
616	A	25	Very low	28.6	Very low	88 Å²	88	131.7 Å²	131.7	73%	0.727	75%	0.752	S	S	*	*			cis	-151.3	175.3	-4.4	0	0	0	0	0	111.4
617	S	31	Very low	28.6	Very low	112 Å²	112	132.1 Å²	132.1	78%	0.783	76%	0.755	S	S	*	*			trans	-89.7	153.4	156.6	-47.8	0	0	0	0	109.2
618	P	41.1	Very low	28.6	Very low	121 Å²	121	131.3 Å²	131.3	79%	0.786	75%	0.75	S	S	*	*				-154.8	169.1	75	42.1	-22.5	0	0	0	118.3
619	A	25.5	Very low	28	Very low	85 Å²	85	135 Å²	135	70%	0.702	76%	0.758	S	S	*	*			trans	44.6	137.9	138.5	0	0	0	0	0	124.3
620	R	26	Very low	28.4	Very low	244 Å²	244	130.8 Å²	130.8	92%	0.921	75%	0.749	S	S	*	*			trans	68.2	160.4	153.7	-71.6	-178.6	-175	-157.1	2.6	116.1
621	S	23.9	Very low	28.7	Very low	91 Å²	91	126.8 Å²	126.8	64%	0.636	73%	0.733	S	S	*	*			cis	-174.1	162	-23	52.1	0	0	0	0	109.4
622	V	27.4	Very low	29	Very low	127 Å²	127	131.2 Å²	131.2	77%	0.77	74%	0.735	S	S	*	*			trans	71	146.2	158.1	156.7	0	0	0	0	113.6
623	E	24.1	Very low	29.1	Very low	131 Å²	131	131.7 Å²	131.7	61%	0.612	73%	0.733	S	S	*	*			cis	-151.2	174.7	7.5	-141.8	174.5	140.6	0	0	113.4
624	R	27.7	Very low	29.2	Very low	182 Å²	182	131.3 Å²	131.3	69%	0.687	74%	0.735	S	S	*	*			trans	32	150.3	142.6	-92.7	-178.8	175.1	124.4	-11.9	123
625	S	27.9	Very low	29.3	Very low	103 Å²	103	135.9 Å²	135.9	72%	0.72	74%	0.743	S	S	*	*			cis	-153.3	-175.9	18.1	-99.2	0	0	0	0	112
626	Q	31.2	Very low	29.3	Very low	138 Å²	138	135.8 Å²	135.8	65%	0.645	74%	0.743	S	S	*	*			cis	163.9	88.5	-48.9	-178.5	174.3	6.1	0	0	110.9
627	S	27.1	Very low	29.6	Very low	105 Å²	105	141.1 Å²	141.1	73%	0.734	75%	0.75	S	S	*	*			trans	-152.3	110.6	162.4	43.8	0	0	0	0	109.7
628	T	31	Very low	30.7	Very low	121 Å²	121	140.9 Å²	140.9	74%	0.742	75%	0.745	S	S	*	*				65.5	130.2	75.4	62.3	0	0	0	0	112.7
629	E	28.4	Very low	31	Very low	183 Å²	183	140.7 Å²	140.7	86%	0.855	74%	0.744	S	S	*	*			cis	-107.6	154.3	23.7	-66.6	164.8	118.6	0	0	113.2
630	E	35.1	Very low	31.2	Very low	147 Å²	147	140.7 Å²	140.7	69%	0.687	74%	0.744	S	S	*	*				64.6	123.4	52.1	-75.7	-88.2	105.4	0	0	111.4
631	Q	33.8	Very low	31.3	Very low	130 Å²	130	135.6 Å²	135.6	61%	0.607	73%	0.734	S	S	*	*			cis	-145.6	-170.1	6.8	-56.2	-170.4	-17.3	0	0	107.4
632	K	31.7	Very low	31.5	Very low	155 Å²	155	138.6 Å²	138.6	67%	0.674	74%	0.743	S	S	*	*			cis	-173.9	150.3	-16.8	-114.1	164.1	-156.1	159.8	0	103.8
633	T	30.9	Very low	31.6	Very low	134 Å²	134	139.4 Å²	139.4	82%	0.822	74%	0.743	S	S	*	*			cis	-151.5	-151.8	-10.8	-8.3	0	0	0	0	105.7
634	A	30.1	Very low	32	Very low	92 Å²	92	140.6 Å²	140.6	76%	0.76	75%	0.752	S	S	*	*			cis	-146.2	-110.8	8.4	0	0	0	0	0	112.3
635	K	28.1	Very low	32	Very low	191 Å²	191	137.2 Å²	137.2	83%	0.83	75%	0.752	S	S	*	*			trans	-156.9	164.8	-168.5	-94.8	161.9	-173.2	174.4	0	109.6
636	L	29	Very low	32.2	Very low	171 Å²	171	137.1 Å²	137.1	90%	0.895	75%	0.752	S	S	*	*			cis	-129.3	-175.2	37.3	-78	164.6	0	0	0	115
637	K	30	Very low	32.2	Very low	201 Å²	201	139.5 Å²	139.5	87%	0.874	76%	0.763	S	S	*	*			trans	-130.9	169.6	-165.6	-102.7	-167.9	174.6	-174.4	0	114.4
638	P	55.7	Low	32.3	Very low	106 Å²	106	138.6 Å²	138.6	69%	0.688	76%	0.761	S	S	*	*			trans	-113.7	-173.5	-171.3	45.2	-37.3	0	0	0	114.4
639	P	46.3	Very low	32.2	Very low	117 Å²	117	139.3 Å²	139.3	76%	0.76	77%	0.766	S	S	*	*			trans	-101.2	142.8	138.8	-0.4	21.6	0	0	0	110.4
640	A	29.4	Very low	32.2	Very low	86 Å²	86	135.5 Å²	135.5	71%	0.711	76%	0.759	S	S	*	*			cis	75.3	140.7	49.4	0	0	0	0	0	112.9
641	L	29.4	Very low	31.9	Very low	136 Å²	136	135.8 Å²	135.8	71%	0.712	76%	0.764	S	S	*	*			cis	-163.6	151.6	-9.4	-122.9	171.9	0	0	0	109.2
642	N	28.1	Very low	31.7	Very low	154 Å²	154	137.1 Å²	137.1	82%	0.824	77%	0.772	S	S	*	*				169.5	135.5	127.6	-86	-15.5	0	0	0	112.5
643	N	29.3	Very low	31.7	Very low	144 Å²	144	134.4 Å²	134.4	77%	0.77	77%	0.773	S	S	*	*			trans	-103.6	167.6	171.2	-64.4	-41	0	0	0	109.6
644	I	31.8	Very low	32.2	Very low	156 Å²	156	133.7 Å²	133.7	80%	0.8	77%	0.771	S	S	*	*				177	128.4	112.3	-92.1	162.2	0	0	0	112.7
645	T	28.5	Very low	32.4	Very low	112 Å²	112	134.5 Å²	134.5	69%	0.687	77%	0.768	S	S	*	*			trans	38.2	126.9	159.5	60.6	0	0	0	0	123.8
646	S	31.6	Very low	32.9	Very low	101 Å²	101	129.7 Å²	129.7	71%	0.706	76%	0.756	S	S	*	*				31.4	149.1	98	-33.5	0	0	0	0	119.5
647	E	31.1	Very low	33.1	Very low	187 Å²	187	126 Å²	126	87%	0.874	75%	0.751	S	S	*	*			cis	-163.6	-169.6	8.9	-139.1	175.6	159.6	0	0	112.9
648	A	28.9	Very low	33.1	Very low	86 Å²	86	125.8 Å²	125.8	71%	0.711	75%	0.75	S	S	*	*			trans	77.1	109.3	155.6	0	0	0	0	0	121.3
649	T	28.4	Very low	31.9	Very low	137 Å²	137	129.4 Å²	129.4	84%	0.84	76%	0.755	S	S	*	*			trans	-2	137.1	142.2	50.9	0	0	0	0	120.5
650	S	28	Very low	31	Very low	102 Å²	102	131.6 Å²	131.6	71%	0.713	76%	0.759	S	S	*	*				168.8	123.6	101.2	-162.9	0	0	0	0	115.8
651	I	29.4	Very low	31	Very low	153 Å²	153	131.2 Å²	131.2	79%	0.785	76%	0.756	S	S	*	*			trans	49.4	126.4	133.9	-58.4	178	0	0	0	122.1
652	M	30	Very low	31	Very low	158 Å²	158	132.5 Å²	132.5	78%	0.778	76%	0.763	S	S	*	*			trans	87.2	166.8	154.5	-73.2	-89.7	83.6	0	0	121.5
653	S	31.1	Very low	31.1	Very low	99 Å²	99	130.5 Å²	130.5	69%	0.692	76%	0.761	S	S	*	*			trans	-98.7	167	-155.1	-51.2	0	0	0	0	114.8
654	P	41.2	Very low	31.2	Very low	119 Å²	119	127.8 Å²	127.8	77%	0.773	76%	0.759	S	S	*	*			trans	-96.5	160.7	-164.8	37.8	-36.5	0	0	0	115.9
655	P	34.6	Very low	31.1	Very low	109 Å²	109	130.1 Å²	130.1	71%	0.708	76%	0.763	S	S	*	*			trans	-110.6	-160.4	165.8	47.6	-37.3	0	0	0	110.3
656	P	39.9	Very low	31.1	Very low	89 Å²	89	134.2 Å²	134.2	58%	0.578	77%	0.771	S	S	*	*				-138.1	-170.3	-115.2	37.1	-12	0	0	0	116.9
657	A	31.3	Very low	30.7	Very low	94 Å²	94	133.6 Å²	133.6	78%	0.777	77%	0.772	S	S	*	*			trans	-90.6	157.3	-162.7	0	0	0	0	0	118.6
658	K	31	Very low	30.4	Very low	197 Å²	197	135.2 Å²	135.2	86%	0.857	77%	0.772	S	S	*	*			trans	168.1	153.2	154.1	-96.9	160.4	-173	-179	0	108.6
659	K	30.2	Very low	30.4	Very low	182 Å²	182	134.7 Å²	134.7	79%	0.791	76%	0.763	S	S	*	*			cis	-166.2	-169.6	-16.8	-135.4	-173.5	-176.3	-170.2	0	108.8
660	L	27.8	Very low	30.3	Very low	162 Å²	162	136.7 Å²	136.7	85%	0.848	76%	0.763	S	S	*	*			trans	90	135.8	172.5	-53.6	173.8	0	0	0	115.2
661	A	28.4	Very low	30.2	Very low	79 Å²	79	136.3 Å²	136.3	65%	0.653	76%	0.76	S	S	*	*			cis	116.7	144.6	11.6	0	0	0	0	0	111.4
662	L	30.4	Very low	30.2	Very low	162 Å²	162	136.5 Å²	136.5	85%	0.848	76%	0.762	S	S	*	*			cis	-163.9	179.2	-4.4	-118.7	173.2	0	0	0	111.5
663	S	29.6	Very low	30	Very low	113 Å²	113	134.1 Å²	134.1	79%	0.79	76%	0.761	S	S	*	*			trans	82.8	152.7	158.9	84.1	0	0	0	0	119.3
664	A	32.3	Very low	29.8	Very low	87 Å²	87	136 Å²	136	72%	0.719	76%	0.763	S	S	*	*			cis	-171.7	170.4	-26.5	0	0	0	0	0	112.4
665	K	29	Very low	29.2	Very low	205 Å²	205	137 Å²	137	89%	0.891	76%	0.76	S	S	*	*			trans	84.5	147.1	169.3	-56.2	174.1	-178.5	175	0	117.1
666	K	28.7	Very low	28.7	Very low	198 Å²	198	138.3 Å²	138.3	86%	0.861	76%	0.762	S	S	*	*			cis	-168.6	156	-24.5	-175.3	172.7	178.1	-176.1	0	109.6
667	A	24.2	Very low	28.1	Very low	88 Å²	88	137.8 Å²	137.8	73%	0.727	77%	0.765	S	S	*	*			trans	74.5	138.5	170.1	0	0	0	0	0	115.8
668	Y	23.8	Very low	27.8	Very low	220 Å²	220	140.2 Å²	140.2	86%	0.863	76%	0.764	S	S	*	*			cis	72	134.7	16	-90.9	-118	0	0	0	116.5
669	S	28.2	Very low	27.5	Very low	76 Å²	76	139.6 Å²	139.6	53%	0.531	76%	0.756	S	S	.	*			cis	-178.5	158.2	-7.6	46.1	0	0	0	0	114.1
670	Q	28.1	Very low	27.2	Very low	178 Å²	178	139.7 Å²	139.7	83%	0.832	76%	0.759	S	S	*	*			trans	66.8	168.1	155.2	-70.4	166.7	-14.8	0	0	117.5
671	S	25.5	Very low	27.5	Very low	94 Å²	94	137.2 Å²	137.2	66%	0.657	76%	0.755	S	S	*	*			cis	-145.5	155.5	4.5	96.5	0	0	0	0	110.7
672	L	28.1	Very low	27.7	Very low	158 Å²	158	138.6 Å²	138.6	83%	0.827	76%	0.758	S	S	*	*				56	155.2	93.2	-54.2	173	0	0	0	115.6
673	S	27.7	Very low	27.4	Very low	108 Å²	108	139 Å²	139	76%	0.755	75%	0.752	S	S	*	*			cis	-151.4	178.4	18.4	67.9	0	0	0	0	111.7
674	N	25.3	Very low	27.2	Very low	138 Å²	138	142.7 Å²	142.7	74%	0.738	76%	0.757	S	S	*	*			cis	-130.1	-114.8	3.4	-163.2	18.1	0	0	0	112.2
675	I	28.7	Very low	26.8	Very low	140 Å²	140	144.5 Å²	144.5	72%	0.718	75%	0.754	S	S	*	*			cis	-157.4	168.9	-1.6	-154.7	159.8	0	0	0	112.3
676	D	25.3	Very low	27.6	Very low	137 Å²	137	140 Å²	140	73%	0.733	75%	0.746	S	S	*	*			trans	-18.9	155.6	168.9	-67.6	-13.4	0	0	0	121.9
677	A	26.2	Very low	27.4	Very low	78 Å²	78	136.9 Å²	136.9	65%	0.645	74%	0.743	S	S	*	*			cis	-171.6	154	-13.8	0	0	0	0	0	114.2
678	L	24.9	Very low	27.6	Very low	145 Å²	145	139.7 Å²	139.7	76%	0.759	75%	0.746	S	S	*	*			trans	59.2	123.8	142.8	-70.3	169.1	0	0	0	124.3
679	R	24.3	Very low	28.6	Very low	183 Å²	183	133.9 Å²	133.9	69%	0.691	74%	0.736	S	S	*	*			trans	92.1	123.4	131.1	-75	173.4	-174.1	-108.4	7.3	123.2
680	H	24.6	Very low	28.5	Very low	184 Å²	184	138.7 Å²	138.7	85%	0.852	75%	0.747	S	S	*	*			trans	65.4	121.2	130.2	-61.4	-27.4	0	0	0	121.8
681	S	33.3	Very low	28.4	Very low	110 Å²	110	136.9 Å²	136.9	77%	0.769	74%	0.738	S	S	*	*			trans	-76.3	164.2	144.6	61.4	0	0	0	0	110.8
682	P	34.1	Very low	28.5	Very low	108 Å²	108	139.3 Å²	139.3	70%	0.701	74%	0.739	S	S	*	*				-153.4	150.1	104.5	36.7	-18.6	0	0	0	117.9
683	K	24.7	Very low	28.4	Very low	170 Å²	170	138 Å²	138	74%	0.739	73%	0.733	S	S	*	*			trans	57.3	109.7	140.2	-63.1	172.9	-178.8	-179.4	0	121.8	L685	K683-L685 HydrophobicContact CB-CD1 4.26Å; K683-L685 HydrophobicContact CB-CD2 4.37Å; K683-L685 HydrophobicContact CD-CD2 4.2Å; K683-L685 HydrophobicContact CG-CD1 4.17Å; K683-L685 HydrophobicContact CG-CD2 4.08Å
684	Q	24.7	Very low	28.3	Very low	192 Å²	192	140.3 Å²	140.3	90%	0.897	73%	0.732	S	S	*	*				-146.6	127.8	123.3	-101.9	-177	-26.1	0	0	106.4
685	L	24.4	Very low	28.3	Very low	125 Å²	125	140.5 Å²	140.5	65%	0.654	73%	0.732	S	S	*	*			cis	79.6	142.7	4.2	-73.4	67.4	0	0	0	117.6	K683	K683-L685 HydrophobicContact CB-CD1 4.26Å; K683-L685 HydrophobicContact CB-CD2 4.37Å; K683-L685 HydrophobicContact CD-CD2 4.2Å; K683-L685 HydrophobicContact CG-CD1 4.17Å; K683-L685 HydrophobicContact CG-CD2 4.08Å
686	P	45.9	Very low	28	Very low	110 Å²	110	142.9 Å²	142.9	71%	0.714	74%	0.737	S	S	*	*			trans	-137.2	-173.2	-145.4	42.4	-22.8	0	0	0	115.7
687	T	23.4	Very low	28.3	Very low	132 Å²	132	141.6 Å²	141.6	81%	0.81	74%	0.739	S	S	*	*				179.3	122.7	124	36.2	0	0	0	0	112.6
688	D	27.8	Very low	28.7	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	75%	0.748	S	S	*	*				5.2	169.6	114.8	-95.7	-58	0	0	0	121.2
689	P	45.2	Very low	28.6	Very low	99 Å²	99	141 Å²	141	64%	0.643	74%	0.744	S	S	*	*			cis	-142.6	-176.8	-3.9	31.5	-7.9	0	0	0	117.7
690	K	26	Very low	28.6	Very low	176 Å²	176	139 Å²	139	77%	0.765	75%	0.752	S	S	*	*			trans	92.4	142.8	130.6	-104.4	173.4	179.1	-174.9	0	124
691	H	27.3	Very low	28.7	Very low	140 Å²	140	134 Å²	134	65%	0.648	74%	0.743	S	S	*	*			trans	73.4	97.9	157.3	-77	-83.6	0	0	0	123.2
692	Q	26	Very low	28.2	Very low	145 Å²	145	134 Å²	134	68%	0.678	74%	0.743	S	S	*	*				85.4	115	102.8	-165.9	171.9	11.9	0	0	122.3
693	N	26.1	Very low	27.8	Very low	132 Å²	132	132.1 Å²	132.1	71%	0.706	74%	0.737	S	S	*	*			trans	78.9	144.3	141.6	-76.9	0.9	0	0	0	124.7
694	Q	26.1	Very low	27.9	Very low	155 Å²	155	132.5 Å²	132.5	72%	0.724	74%	0.74	S	S	*	*			trans	67.7	100.3	144.7	-65.9	-86.5	11.5	0	0	120.1
695	L	24.4	Very low	28	Very low	143 Å²	143	131.6 Å²	131.6	75%	0.749	74%	0.736	S	S	*	*				57.2	140.5	116.1	-115.1	157.6	0	0	0	121.5
696	K	23.9	Very low	28.1	Very low	189 Å²	189	131 Å²	131	82%	0.822	74%	0.738	S	S	*	*			trans	93.8	108.9	165.1	-56.4	175.2	-178	175.9	0	117.8
697	S	30.1	Very low	27	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	74%	0.738	S	S	*	*			trans	-62	148.5	146.1	52.9	0	0	0	0	111
698	P	35.2	Very low	27	Very low	126 Å²	126	136.2 Å²	136.2	82%	0.818	74%	0.738	S	S	*	*				-133.3	-154.5	74.6	33.3	-12.5	0	0	0	111.5
699	A	23.8	Very low	27.1	Very low	83 Å²	83	135.2 Å²	135.2	69%	0.686	74%	0.737	S	S	*	*			cis	-158.6	177.8	8.5	0	0	0	0	0	113.7
700	V	24.1	Very low	26.3	Very low	141 Å²	141	135.6 Å²	135.6	86%	0.855	74%	0.742	S	S	*	*				19.1	138.6	129.3	178.7	0	0	0	0	118
701	A	26.2	Very low	26.8	Very low	80 Å²	80	132.6 Å²	132.6	66%	0.661	74%	0.741	S	S	*	*			cis	-141.5	157	25.2	0	0	0	0	0	112.1
702	S	23.7	Very low	26.8	Very low	111 Å²	111	134.3 Å²	134.3	78%	0.776	75%	0.747	S	S	*	*				60.1	103.9	79.5	-136.1	0	0	0	0	112.7
703	A	24.3	Very low	26.9	Very low	68 Å²	68	133.5 Å²	133.5	56%	0.562	75%	0.747	S	S	*	*				89.3	111.5	83.1	0	0	0	0	0	112.1
704	H	27.8	Very low	27.9	Very low	177 Å²	177	132.3 Å²	132.3	82%	0.819	75%	0.747	S	S	*	*				82.9	173	105.7	-79.1	-71.1	0	0	0	114.4
705	H	26.1	Very low	27.9	Very low	173 Å²	173	131.4 Å²	131.4	80%	0.801	75%	0.746	S	S	*	*			trans	70.9	140.2	-170.2	-52.7	-76.7	0	0	0	114.5
706	T	27	Very low	28	Very low	114 Å²	114	133.2 Å²	133.2	70%	0.699	75%	0.748	S	S	*	*			cis	-155.1	135.1	-14.2	18.1	0	0	0	0	104.9
707	D	23.3	Very low	28.3	Very low	132 Å²	132	128.4 Å²	128.4	71%	0.706	74%	0.743	S	S	*	*				69.9	133.7	66.8	-168.7	26.7	0	0	0	113.9
708	R	23	Very low	28.2	Very low	219 Å²	219	131.1 Å²	131.1	83%	0.826	74%	0.744	S	S	*	*			trans	64.7	159.3	-173.9	-47.3	178.6	170.3	-166.2	-7.6	114.2
709	V	29.3	Very low	27.9	Very low	126 Å²	126	131 Å²	131	76%	0.764	74%	0.735	S	S	*	*			cis	-139.8	143.9	17.4	172.9	0	0	0	0	110.5
710	S	28.6	Very low	28.1	Very low	106 Å²	106	129 Å²	129	74%	0.741	72%	0.716	S	S	*	*			trans	-104.9	142.2	163.2	-53.5	0	0	0	0	111.5
711	P	37.5	Very low	29.6	Very low	114 Å²	114	125.7 Å²	125.7	74%	0.74	70%	0.698	S	S	*	*			trans	-136	161	152.8	36.2	-22.2	0	0	0	113.7
712	F	27.2	Very low	29.6	Very low	176 Å²	176	128.8 Å²	128.8	77%	0.772	70%	0.697	S	S	*	*			cis	-177.5	137	-34.7	-126.5	-67.7	0	0	0	107.5
713	N	27.8	Very low	29.7	Very low	128 Å²	128	127.1 Å²	127.1	68%	0.684	69%	0.685	S	S	*	*			trans	64.9	167.3	155.1	-86.8	-7.9	0	0	0	120
714	P	47.5	Very low	30	Very low	107 Å²	107	132.3 Å²	132.3	70%	0.695	70%	0.697	S	S	*	*			cis	-128.3	143.6	2.9	31	-11.5	0	0	0	118.3
715	L	25.7	Very low	30.2	Very low	136 Å²	136	128.6 Å²	128.6	71%	0.712	69%	0.691	S	S	*	*			trans	63.8	157.7	144.5	-84.1	56.2	0	0	0	118.9
716	K	26.8	Very low	30.1	Very low	181 Å²	181	126.3 Å²	126.3	79%	0.787	69%	0.693	S	S	*	*			cis	-146.8	145.3	1.5	-112.3	163.8	175.5	-178.7	0	106
717	A	29.7	Very low	30.1	Very low	87 Å²	87	123.8 Å²	123.8	72%	0.719	69%	0.69	S	S	*	*				56.6	139.2	67.2	0	0	0	0	0	114.8
718	Q	28.5	Very low	31.3	Very low	169 Å²	169	123.5 Å²	123.5	79%	0.79	70%	0.695	S	S	*	*			cis	-174.8	159.8	-15	-140.2	-171.9	-1.9	0	0	109.1
719	L	28.1	Very low	31.5	Very low	122 Å²	122	120 Å²	120	64%	0.639	69%	0.688	S	S	*	*			trans	65.1	-153.9	160.5	-54.8	168.3	0	0	0	117.9	R919	L719-R919 CarbonylContact C-O 3.59Å
720	S	28.4	Very low	31.3	Very low	41 Å²	41	121.8 Å²	121.8	29%	0.287	69%	0.685	S	S	.	*			trans	-128.5	-140.3	-130.2	66	0	0	0	0	118.5	E918 R919	S720-E918 VanDerWaalsContact CB-CB 3.44Å; S720-E918 WeakPolarHBondContact OG-CB 3.2Å; S720-R919 WeakPolarHBondContact CA-O 3.44Å; S720-R919 WeakPolarHBondContact CB-O 3.34Å; S720-R919 PolarHBondContact O-NH2 3.21Å
721	P	54.5	Low	31.4	Very low	72 Å²	72	124.2 Å²	124.2	47%	0.468	69%	0.685	S	S	.	*			cis	-126.6	157.1	-20.5	39.9	-22.8	0	0	0	117.7	E918 R919	P721-E918 WeakPolarHBondContact CB-OE2 3.4Å; P721-R919 VanDerWaalsContact C-CD 3.47Å; P721-R919 PolarHBondContact O-NE 2.77Å; P721-R919 PolarHBondContact O-NH1 3.32Å; P721-R919 PolarHBondContact O-NH2 2.95Å
722	F	26.3	Very low	31.5	Very low	146 Å²	146	124 Å²	124	64%	0.64	68%	0.683	S	S	*	*			trans	54.1	-163.5	167.2	-81.9	-78.5	0	0	0	121.8	E918 R919	F722-E918 WeakPolarHBondContact CD2-OE2 3.34Å; F722-E918 WeakPolarHBondContact CE2-OE2 3.49Å; F722-R919 WeakPolarHBondContact O-CD 3.43Å; F722-R919 PolarHBondContact O-NH1 3.26Å
723	S	26.8	Very low	31.4	Very low	76 Å²	76	121.9 Å²	121.9	53%	0.531	68%	0.679	S	S	.	*			trans	-156.2	-179	-149	52.3	0	0	0	0	114.3
724	H	31.1	Very low	31.3	Very low	177 Å²	177	126.1 Å²	126.1	82%	0.819	69%	0.692	S	S	*	*			trans	78.2	153.8	167.1	-60.6	-56	0	0	0	117.7
725	S	30.9	Very low	30.2	Very low	99 Å²	99	125.4 Å²	125.4	69%	0.692	69%	0.69	S	S	*	*			cis	-162.7	156	-13.1	42.5	0	0	0	0	114.6
726	C	25	Very low	30.2	Very low	125 Å²	125	124.8 Å²	124.8	85%	0.845	69%	0.692	S	S	*	*				-118.5	165.2	121	-78.5	0	0	0	0	107.4
727	G	26.4	Very low	30.1	Very low	61 Å²	61	123 Å²	123	63%	0.629	69%	0.69	S	S	*	*			cis	94.3	155.6	10.2	0	0	0	0	0	112.1
728	P	48.5	Very low	29.9	Very low	126 Å²	126	127.6 Å²	127.6	82%	0.818	70%	0.697	S	S	*	*			cis	-91.5	-160	-5	43	-38.2	0	0	0	110.1
729	H	25.8	Very low	29.9	Very low	144 Å²	144	129 Å²	129	67%	0.667	70%	0.7	S	S	*	*			cis	-143	-75.3	-0.7	-158.1	35.5	0	0	0	114.3
730	K	27.1	Very low	30.6	Very low	165 Å²	165	129 Å²	129	72%	0.717	71%	0.707	S	S	*	*			trans	-145.9	124.7	-165.2	-67.7	165.2	-179.6	156.5	0	108.9
731	Q	28.8	Very low	30.4	Very low	157 Å²	157	136.5 Å²	136.5	73%	0.734	74%	0.735	S	S	*	*				77	144.8	52.5	-66	-79.5	-1.6	0	0	112.6
732	P	40.5	Very low	29.2	Very low	109 Å²	109	137.2 Å²	137.2	71%	0.708	75%	0.747	S	S	*	*			cis	-133.7	155	20.9	40.1	-22.6	0	0	0	119.7
733	L	25	Very low	29.2	Very low	131 Å²	131	135.6 Å²	135.6	69%	0.686	75%	0.754	S	S	*	*			trans	46.8	143	135.4	-60.8	170.9	0	0	0	124
734	F	25.9	Very low	29.1	Very low	217 Å²	217	139.7 Å²	139.7	95%	0.952	77%	0.769	S	S	*	*				-144.7	139.3	128.3	-101.9	-72.2	0	0	0	110.9
735	S	24.7	Very low	28.9	Very low	92 Å²	92	135.9 Å²	135.9	64%	0.643	76%	0.762	S	S	*	*			trans	-159.6	165.1	171	63.9	0	0	0	0	111.3
736	T	25.9	Very low	28.7	Very low	123 Å²	123	139.5 Å²	139.5	76%	0.755	77%	0.768	S	S	*	*			trans	95.5	110.3	167.5	-46.3	0	0	0	0	118.3
737	L	24.9	Very low	28.8	Very low	144 Å²	144	142 Å²	142	75%	0.754	77%	0.765	S	S	*	*			trans	28.8	150.7	144.2	-86.3	72.7	0	0	0	125.1
738	Q	24.8	Very low	28.9	Very low	184 Å²	184	144.5 Å²	144.5	86%	0.86	77%	0.767	S	S	*	*			trans	89.8	156.1	147	-78.4	169.6	12.7	0	0	121.9
739	K	28.5	Very low	28	Very low	198 Å²	198	146.3 Å²	146.3	86%	0.861	77%	0.77	S	S	*	*			trans	-97.2	168.5	176.6	-70.2	176.3	177.9	173.7	0	108.2
740	P	42.6	Very low	28	Very low	122 Å²	122	142.2 Å²	142.2	79%	0.792	77%	0.767	S	S	*	*			cis	-153.2	-175.7	32.7	43.8	-21.3	0	0	0	119.5
741	K	25	Very low	28	Very low	198 Å²	198	143.2 Å²	143.2	86%	0.861	78%	0.779	S	S	*	*			trans	14.9	121.5	151.9	-69.8	-176	174.6	-177	0	123
742	A	28.6	Very low	28	Very low	88 Å²	88	144.2 Å²	144.2	73%	0.727	78%	0.784	S	S	*	*				82.9	148.1	115.4	0	0	0	0	0	124
743	S	26.2	Very low	27.4	Very low	112 Å²	112	144.6 Å²	144.6	78%	0.783	79%	0.789	S	S	*	*			trans	71.7	154.1	161.3	78.7	0	0	0	0	117.6
744	L	25.7	Very low	28.2	Very low	161 Å²	161	144 Å²	144	84%	0.843	79%	0.793	S	S	*	*			cis	-162.7	-179.8	-26.4	-119.2	165	0	0	0	110.3
745	S	26.4	Very low	28.1	Very low	97 Å²	97	141.7 Å²	141.7	68%	0.678	79%	0.79	S	S	*	*			trans	67.5	106.6	160.2	60.7	0	0	0	0	123.3
746	H	26.8	Very low	29.8	Very low	175 Å²	175	142.4 Å²	142.4	81%	0.81	79%	0.793	S	S	*	*				50.4	127.7	120.1	-69.5	-65.8	0	0	0	126.2
747	K	27.9	Very low	29.6	Very low	179 Å²	179	143.5 Å²	143.5	78%	0.778	80%	0.8	S	S	*	*			trans	97.1	108.7	132.1	-82.5	-176.9	178.1	-175.3	0	122
748	T	28.4	Very low	30	Very low	112 Å²	112	141.2 Å²	141.2	69%	0.687	80%	0.795	S	S	*	*			trans	61.1	100.3	133.4	57.5	0	0	0	0	121.2
749	N	28.6	Very low	30.3	Very low	165 Å²	165	138.6 Å²	138.6	88%	0.882	79%	0.794	S	S	*	*				175.8	152.5	96.4	-91.1	-20.1	0	0	0	113.1
750	G	25.8	Very low	30.2	Very low	58 Å²	58	138.2 Å²	138.2	60%	0.598	79%	0.793	S	S	*	*	S	Bend	trans	103.8	126.1	160.3	0	0	0	0	0	117.7
751	L	27.1	Very low	29.4	Very low	185 Å²	185	138 Å²	138	97%	0.969	79%	0.794	S	S	*	*			trans	46.3	86.3	157.4	-69.5	157.3	0	0	0	117.1
752	H	29.7	Very low	29.6	Very low	179 Å²	179	133.9 Å²	133.9	83%	0.829	79%	0.79	S	S	*	*			trans	-86.9	138.1	-177.7	-77.1	-72.5	0	0	0	115.6
753	S	27.6	Very low	29.6	Very low	116 Å²	116	135 Å²	135	81%	0.811	79%	0.792	S	S	*	*			trans	-163.6	157.6	158.7	-76.5	0	0	0	0	109.1
754	P	40.8	Very low	29.5	Very low	120 Å²	120	137.6 Å²	137.6	78%	0.779	80%	0.798	S	S	*	*			cis	-118.4	165.4	-39	38.7	-27.7	0	0	0	111.2
755	N	24.9	Very low	29.8	Very low	167 Å²	167	138.3 Å²	138.3	89%	0.893	80%	0.801	S	S	*	*			trans	-158.4	160.7	159.3	-120.2	-5.6	0	0	0	111.8
756	P	59.8	Low	29.9	Very low	108 Å²	108	137.3 Å²	137.3	70%	0.701	81%	0.807	S	S	*	*			trans	-102.4	166.3	-162.3	39.6	-37.9	0	0	0	115.1
757	T	22.7	Very low	31.2	Very low	146 Å²	146	135.1 Å²	135.1	90%	0.896	81%	0.808	S	S	*	*			trans	-141.9	152.8	155	25.6	0	0	0	0	111.8
758	S	32.2	Very low	31.4	Very low	95 Å²	95	131.8 Å²	131.8	66%	0.664	81%	0.814	S	S	*	*			trans	-88	179.1	172.7	60.4	0	0	0	0	111.2
759	P	32	Very low	31.7	Very low	129 Å²	129	130.6 Å²	130.6	84%	0.838	82%	0.816	S	S	*	*				-140.4	-177.8	96.5	35	-19.3	0	0	0	115.6
760	K	26	Very low	31.8	Very low	191 Å²	191	130.8 Å²	130.8	83%	0.83	81%	0.811	S	S	*	*			trans	-110.8	153.7	-174.2	-39.9	158	-175.3	166.9	0	110.4
761	S	26.3	Very low	31.8	Very low	118 Å²	118	135.6 Å²	135.6	83%	0.825	82%	0.818	S	S	*	*			trans	171	157	148.2	46.9	0	0	0	0	111.1
762	S	28.1	Very low	32.6	Very low	110 Å²	110	131.6 Å²	131.6	77%	0.769	80%	0.803	S	S	*	*			cis	-157.5	154.7	-25.2	49.9	0	0	0	0	111.3
763	S	28.8	Very low	32.4	Very low	111 Å²	111	130 Å²	130	78%	0.776	80%	0.801	S	S	*	*			trans	-58.3	166.7	159.9	45.3	0	0	0	0	113.6
764	N	24.3	Very low	32.3	Very low	167 Å²	167	132.2 Å²	132.2	89%	0.893	80%	0.803	S	S	*	*			trans	-127	100.7	169.2	-115.4	-16.3	0	0	0	110.5
765	L	31.1	Very low	31.9	Very low	176 Å²	176	133.8 Å²	133.8	92%	0.921	80%	0.804	S	S	*	*			trans	-164.7	140	164	-91.2	-172	0	0	0	109.5
766	G	28.6	Very low	32.9	Very low	77 Å²	77	131.3 Å²	131.3	79%	0.794	80%	0.798	S	S	*	*			trans	93.9	139.7	161.2	0	0	0	0	0	117.2
767	P	54.1	Low	31.4	Very low	129 Å²	129	134 Å²	134	84%	0.838	81%	0.805	S	S	*	*			trans	-110.1	173.2	171.3	40.5	-33.1	0	0	0	114.2
768	A	32.8	Very low	31.7	Very low	108 Å²	108	131.2 Å²	131.2	89%	0.893	80%	0.797	S	S	*	*			trans	77.2	166.3	161.8	0	0	0	0	0	119
769	A	34.8	Very low	31.5	Very low	88 Å²	88	135.6 Å²	135.6	73%	0.727	81%	0.807	S	S	*	*			trans	-118.4	-179.1	-163.6	0	0	0	0	0	111.1
770	Q	30.6	Very low	31.2	Very low	169 Å²	169	135.8 Å²	135.8	79%	0.79	80%	0.801	S	S	*	*			cis	-165.3	151.2	7	-144.1	170.7	-9.3	0	0	109.4
771	E	26.2	Very low	31.2	Very low	159 Å²	159	133 Å²	133	74%	0.743	80%	0.799	S	S	*	*			trans	55.6	175.7	166.6	-57.4	-50.7	101.8	0	0	118.6
772	P	42.9	Very low	31	Very low	100 Å²	100	131.7 Å²	131.7	65%	0.649	79%	0.79	S	S	*	*				-131.2	178.6	-72.7	40.4	-25.1	0	0	0	115
773	D	25	Very low	31.4	Very low	147 Å²	147	132.8 Å²	132.8	79%	0.786	80%	0.795	S	S	*	*			trans	36.9	116.7	157	-78	-38.6	0	0	0	122.2
774	L	27	Very low	31.2	Very low	162 Å²	162	136.5 Å²	136.5	85%	0.848	80%	0.797	S	S	*	*				-180	147.4	96.4	-91.7	-178.4	0	0	0	112.7
775	N	31.1	Very low	31.2	Very low	152 Å²	152	137.9 Å²	137.9	81%	0.813	80%	0.795	S	S	*	*			trans	-162.8	124.9	173.5	-128.5	-31.6	0	0	0	109.8
776	P	47.5	Very low	31	Very low	116 Å²	116	138.7 Å²	138.7	75%	0.753	79%	0.791	S	S	*	*				-143.8	158.4	112.3	28.7	-9.7	0	0	0	113
777	L	27.8	Very low	30.8	Very low	165 Å²	165	143.9 Å²	143.9	86%	0.864	79%	0.792	S	S	*	*			cis	95.5	140.3	31	-155.3	108.5	0	0	0	114.4
778	A	28.2	Very low	29.5	Very low	87 Å²	87	147 Å²	147	72%	0.719	79%	0.792	S	S	*	*			trans	72.9	154.3	-169.7	0	0	0	0	0	113.5
779	Q	28	Very low	29.2	Very low	186 Å²	186	151.2 Å²	151.2	87%	0.869	79%	0.79	S	S	*	*			cis	-139.2	-175.8	12.4	-74.3	-175.4	19.6	0	0	109.6
780	N	26.9	Very low	28.8	Very low	134 Å²	134	158.7 Å²	158.7	72%	0.717	80%	0.8	S	S	*	*			cis	-179.8	166.3	-40.9	-170.6	4.9	0	0	0	106.4
781	V	26	Very low	28.6	Very low	131 Å²	131	159 Å²	159	79%	0.794	80%	0.799	S	S	*	*			trans	71	152.9	166.3	-167.2	0	0	0	0	117.7
782	S	21.8	Very low	28.6	Very low	91 Å²	91	161.2 Å²	161.2	64%	0.636	80%	0.8	S	S	*	*			trans	-111.3	166.4	-177.4	70.6	0	0	0	0	112.6
783	P	35.8	Very low	28	Very low	133 Å²	133	166.4 Å²	166.4	86%	0.864	81%	0.807	S	S	*	*				-139.7	177.6	115.7	39	-28.5	0	0	0	116.5
784	K	24.9	Very low	28.1	Very low	190 Å²	190	167.6 Å²	167.6	83%	0.826	81%	0.807	S	S	*	*			trans	-90.9	135.1	-165.6	-61.3	158.4	-177.7	165.4	0	114.3
785	K	25.2	Very low	28.2	Very low	195 Å²	195	165 Å²	165	85%	0.848	80%	0.798	S	S	*	*				33.6	118.9	129.4	-57.6	178.1	177.9	179.2	0	119.8
786	K	25.9	Very low	28	Very low	193 Å²	193	165.9 Å²	165.9	84%	0.839	80%	0.797	S	S	*	*			trans	-150.7	132.5	136.5	-98.1	154.4	-172.9	176.6	0	106.6
787	K	25.3	Very low	27	Very low	187 Å²	187	166.4 Å²	166.4	81%	0.813	80%	0.798	S	S	*	*				59.3	137.6	84	-66	-178	-178.4	174.7	0	111.8
788	K	25.8	Very low	26.9	Very low	193 Å²	193	166.6 Å²	166.6	84%	0.839	79%	0.794	S	S	*	*			cis	-165.8	173.5	15.6	-137.8	178.5	-178.6	-177.1	0	112.5
789	K	26.3	Very low	26.9	Very low	198 Å²	198	169.3 Å²	169.3	86%	0.861	80%	0.797	S	S	*	*			trans	-58.9	141.9	160.4	-60.3	173.5	175.6	178.8	0	112.8
790	R	27	Very low	26.9	Very low	244 Å²	244	166.3 Å²	166.3	92%	0.921	79%	0.787	S	S	*	*			trans	-171.2	140.6	144.6	-107.1	169.8	169	-178.6	-6.9	108.1
791	K	25.5	Very low	27	Very low	177 Å²	177	167.8 Å²	167.8	77%	0.77	79%	0.789	S	S	*	*			cis	99.3	102	9.6	-163.4	-176.6	-176.4	-178.4	0	116.3
792	R	27.7	Very low	27	Very low	205 Å²	205	169.9 Å²	169.9	77%	0.774	79%	0.791	S	S	*	*			trans	82.5	136.4	154.6	-89.8	-176.1	171.8	177.1	-3.9	121.1
793	R	28.5	Very low	27.2	Very low	208 Å²	208	170.5 Å²	170.5	79%	0.785	79%	0.791	S	S	*	*			trans	78.7	112.7	149	-71.7	176.4	-179.6	-98.3	4.8	120.7
794	H	28.2	Very low	26.8	Very low	173 Å²	173	173.1 Å²	173.1	80%	0.801	79%	0.789	S	S	*	*				46.7	150.2	121.2	-85.7	-94.3	0	0	0	124.6
795	T	29.6	Very low	27.8	Very low	106 Å²	106	169.5 Å²	169.5	65%	0.65	79%	0.785	S	S	*	*			trans	83.3	132.6	150.7	24	0	0	0	0	121.2
796	E	26	Very low	28	Very low	172 Å²	172	165.1 Å²	165.1	80%	0.804	78%	0.779	S	S	*	*			trans	67.9	153.6	150.3	-75.9	146	-153	0	0	119.7
797	V	27.2	Very low	28.1	Very low	127 Å²	127	160.7 Å²	160.7	77%	0.77	77%	0.772	S	S	*	*			cis	-162.1	-169.2	-29.9	103.6	0	0	0	0	108.6
798	E	26.2	Very low	28	Very low	168 Å²	168	156.1 Å²	156.1	79%	0.785	77%	0.769	S	S	*	*			trans	76.9	123.7	179.8	-58.6	-173.8	164.2	0	0	114.2
799	D	27.1	Very low	28.8	Very low	145 Å²	145	152.5 Å²	152.5	78%	0.775	77%	0.765	S	S	*	*				96.6	151.2	53.6	-75.4	-41.1	0	0	0	111.9
800	D	28.4	Very low	28.8	Very low	122 Å²	122	147.9 Å²	147.9	65%	0.652	76%	0.758	S	S	*	*			cis	-146.1	177.6	21.4	-148.3	-13.8	0	0	0	115.1
801	Q	27.9	Very low	28.6	Very low	165 Å²	165	141.9 Å²	141.9	77%	0.771	75%	0.749	S	S	*	*			trans	-38.7	133.3	-176.1	-67.7	149.2	71.1	0	0	116.7
802	E	27.1	Very low	28.6	Very low	175 Å²	175	141.5 Å²	141.5	82%	0.818	75%	0.75	S	S	*	*				-162.6	160.7	87.7	-98.9	-140.6	100.8	0	0	111.9
803	T	25.4	Very low	28.5	Very low	105 Å²	105	136.7 Å²	136.7	64%	0.644	75%	0.748	S	S	*	*			cis	-157.6	-173.5	-11.1	-126.6	0	0	0	0	111.1
804	F	28.3	Very low	28.2	Very low	187 Å²	187	131.5 Å²	131.5	82%	0.82	74%	0.743	S	S	*	*			trans	-128.8	-178.5	-161.4	-85.7	-69.4	0	0	0	113.4
805	P	44.6	Very low	28.5	Very low	115 Å²	115	128.9 Å²	128.9	75%	0.747	74%	0.742	S	S	*	*			cis	-139.3	153.7	18.7	40.3	-20	0	0	0	120.9
806	S	29.1	Very low	28.2	Very low	103 Å²	103	128.9 Å²	128.9	72%	0.72	75%	0.746	S	S	*	*				62.5	151.9	129.1	-148.4	0	0	0	0	121.3
807	S	27.9	Very low	28.2	Very low	100 Å²	100	128.5 Å²	128.5	70%	0.699	74%	0.744	S	S	*	*			cis	-154.6	146.1	-0.8	2.7	0	0	0	0	107.7
808	A	24.6	Very low	28.2	Very low	91 Å²	91	128 Å²	128	75%	0.752	74%	0.736	S	S	*	*				65.4	147.4	64.3	0	0	0	0	0	115
809	P	43	Very low	28.2	Very low	116 Å²	116	123.8 Å²	123.8	75%	0.753	73%	0.73	S	S	*	*			cis	-142.6	-176	-25.6	39.4	-20.5	0	0	0	116.2
810	S	24.9	Very low	28.4	Very low	102 Å²	102	123 Å²	123	71%	0.713	72%	0.722	S	S	*	*			trans	95.3	135.8	141.2	83.7	0	0	0	0	123.4
811	T	23.6	Very low	28.4	Very low	118 Å²	118	125.2 Å²	125.2	72%	0.724	73%	0.726	S	S	*	*			trans	63	138.7	146	12.4	0	0	0	0	125.7
812	Q	24.9	Very low	28.4	Very low	169 Å²	169	125.9 Å²	125.9	79%	0.79	73%	0.726	S	S	*	*			trans	75.3	147.2	149.7	-66.2	-175.5	18.5	0	0	122.7
813	S	25.1	Very low	28.3	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	73%	0.726	S	S	*	*			trans	55.4	133.6	143.1	61.3	0	0	0	0	123.6
814	S	23.9	Very low	28.3	Very low	99 Å²	99	122.9 Å²	122.9	69%	0.692	73%	0.727	S	S	*	*			trans	-48.5	154	146.2	54.4	0	0	0	0	112.9
815	P	33.8	Very low	28	Very low	118 Å²	118	123 Å²	123	77%	0.766	73%	0.727	S	S	*	*			cis	-117.3	168.1	43.8	13.1	11.4	0	0	0	113.2
816	S	23.9	Very low	27	Very low	106 Å²	106	125.7 Å²	125.7	74%	0.741	73%	0.727	S	S	*	*			cis	71.8	155.9	39.9	-59.2	0	0	0	0	114.7
817	E	25.4	Very low	26.8	Very low	163 Å²	163	128.5 Å²	128.5	76%	0.762	73%	0.726	S	S	*	*			trans	69.9	146.4	-178.8	-64	-134.9	101.7	0	0	116.7
818	L	28	Very low	26.7	Very low	117 Å²	117	133.3 Å²	133.3	61%	0.613	73%	0.729	S	S	*	*			cis	-116.3	141	-17	-74.3	98	0	0	0	109	Q820	L818-Q820 HydrophobicContact CD2-CG 4.27Å; L818-Q820 VanDerWaalsContact CD2-NE2 3.31Å
819	A	26.2	Very low	27	Very low	79 Å²	79	137.8 Å²	137.8	65%	0.653	73%	0.731	S	S	*	*			cis	80.5	161.9	34.6	0	0	0	0	0	115.4
820	Q	29.6	Very low	26.4	Very low	129 Å²	129	140.4 Å²	140.4	60%	0.603	73%	0.731	S	S	*	*			trans	74.5	143.3	175.4	-42	-171.9	13.8	0	0	115.6	L818	L818-Q820 HydrophobicContact CD2-CG 4.27Å; L818-Q820 VanDerWaalsContact CD2-NE2 3.31Å
821	K	30.1	Very low	26.7	Very low	168 Å²	168	144.6 Å²	144.6	73%	0.73	74%	0.736	S	S	*	*			cis	-126.6	137	-8.4	-93.5	114.7	-177.3	162.3	0	108
822	K	26.8	Very low	27	Very low	179 Å²	179	147.7 Å²	147.7	78%	0.778	74%	0.74	S	S	*	*				58.5	121.5	67.9	-83.2	-177.1	174.8	172.1	0	114.6
823	N	25.6	Very low	27.2	Very low	153 Å²	153	147 Å²	147	82%	0.818	73%	0.734	S	S	*	*			trans	67.1	134.2	155.3	-55.9	-31.1	0	0	0	116.8
824	G	24.3	Very low	27.4	Very low	64 Å²	64	151.5 Å²	151.5	66%	0.66	74%	0.735	S	S	*	*			cis	90	138	6.1	0	0	0	0	0	113.6
825	K	23.5	Very low	27.8	Very low	191 Å²	191	154 Å²	154	83%	0.83	73%	0.733	S	S	*	*			trans	64.8	130.3	-175.6	-57.2	170.1	177.8	169.8	0	111.8
826	K	22.9	Very low	27.6	Very low	170 Å²	170	155.1 Å²	155.1	74%	0.739	73%	0.733	S	S	*	*				175.5	167.4	65.8	-122	140.6	-178.7	176.3	0	108.8
827	K	25.9	Very low	27.7	Very low	163 Å²	163	156 Å²	156	71%	0.709	73%	0.725	S	S	*	*			trans	71	146.3	146.6	-75.9	168.7	-176.2	177.1	0	116.1
828	R	25.8	Very low	27.8	Very low	201 Å²	201	150.9 Å²	150.9	76%	0.758	72%	0.715	S	S	*	*			cis	-168.4	174.5	-8.6	-136.2	173.1	179.5	177.2	-4.3	110.7
829	K	29	Very low	27.8	Very low	184 Å²	184	152.4 Å²	152.4	80%	0.8	72%	0.724	S	S	*	*			trans	74.2	149.6	161.7	-64.7	157.4	178.8	178.3	0	113
830	K	31.3	Very low	27.8	Very low	172 Å²	172	156.1 Å²	156.1	75%	0.748	73%	0.733	S	S	*	*			cis	-155.5	137.2	9.8	-140.8	173.2	-177.2	179.6	0	110.5
831	K	31.5	Very low	27.6	Very low	189 Å²	189	153.5 Å²	153.5	82%	0.822	74%	0.741	S	S	*	*			trans	61.4	162.8	160.1	-74.4	-177.9	176	-174.6	0	116.5
832	K	30.5	Very low	27.6	Very low	184 Å²	184	153.6 Å²	153.6	80%	0.8	74%	0.744	S	S	*	*			cis	-157.4	143.4	-33.6	-174.4	179.3	176	-171.3	0	108.1
833	K	28.9	Very low	27.6	Very low	154 Å²	154	154.6 Å²	154.6	67%	0.67	75%	0.748	S	S	*	*			trans	-19.1	153.4	147.2	-73.1	-178.7	169.7	-177.2	0	115
834	R	29.2	Very low	27.7	Very low	199 Å²	199	153 Å²	153	75%	0.751	74%	0.744	S	S	*	*			cis	-167.5	-172	17	-132.7	171.8	-176.2	172.8	-6.3	112
835	K	32.3	Very low	27.9	Very low	150 Å²	150	158.5 Å²	158.5	65%	0.652	75%	0.753	S	S	*	*			trans	79.8	111.2	170.2	-82.4	-165.2	172	-68.1	0	113.8	E837	K835-E837 IonicContact NZ-OE1 2.98Å; K835-E837 PolarHBondContact NZ-OE1 3.02Å; K835-E837 IonicContact NZ-OE2 3.68Å; K835-E837 PolarHBondContact NZ-OE2 3.41Å
836	L	30	Very low	28.1	Very low	143 Å²	143	156 Å²	156	75%	0.749	74%	0.744	S	S	*	*			cis	59.7	155	18.1	-109.1	77.8	0	0	0	112.3
837	E	25.6	Very low	28.2	Very low	125 Å²	125	157.5 Å²	157.5	58%	0.584	75%	0.745	S	S	*	*			cis	-102.3	-174.8	6.8	-65.8	77	-147.2	0	0	111.2	K835	K835-E837 IonicContact NZ-OE1 2.98Å; K835-E837 PolarHBondContact NZ-OE1 3.02Å; K835-E837 IonicContact NZ-OE2 3.68Å; K835-E837 PolarHBondContact NZ-OE2 3.41Å
838	G	27	Very low	28.2	Very low	54 Å²	54	157.5 Å²	157.5	56%	0.557	75%	0.748	S	S	*	*			cis	109	128.3	2.1	0	0	0	0	0	113.3
839	D	27.3	Very low	28.1	Very low	150 Å²	150	155.7 Å²	155.7	80%	0.802	75%	0.745	S	S	*	*			trans	63.3	154.4	149.2	-41.7	-15.2	0	0	0	117.9
840	D	26.3	Very low	28	Very low	157 Å²	157	152.7 Å²	152.7	84%	0.84	74%	0.742	S	S	*	*			cis	-158.1	167.8	-21	-114	-32.6	0	0	0	109.1
841	G	26.5	Very low	27.7	Very low	74 Å²	74	151.3 Å²	151.3	76%	0.763	74%	0.738	S	S	*	*			trans	-177	24.9	-176	0	0	0	0	0	120.9
842	E	28.8	Very low	27.7	Very low	169 Å²	169	147 Å²	147	79%	0.79	73%	0.732	S	S	*	*			trans	5.8	124.3	159.5	-172.2	178.4	-128.2	0	0	121.4
843	K	27.8	Very low	27.5	Very low	201 Å²	201	146 Å²	146	87%	0.874	73%	0.73	S	S	*	*				-165.7	160.9	118.1	-107.7	176	-175.8	-178.3	0	113.9
844	T	26.5	Very low	27.6	Very low	119 Å²	119	144.6 Å²	144.6	73%	0.73	73%	0.729	S	S	*	*			trans	-140.8	179.7	-153.5	-48.6	0	0	0	0	111.8
845	E	28.8	Very low	27.4	Very low	179 Å²	179	141 Å²	141	84%	0.836	72%	0.724	S	S	*	*			trans	87.5	133	175.9	-55.6	177.3	175.6	0	0	115.1
846	E	27.8	Very low	27.1	Very low	138 Å²	138	140 Å²	140	65%	0.645	73%	0.731	S	S	*	*			cis	-154.3	160.6	-1.6	-134	-161	144.1	0	0	112.6
847	R	26.6	Very low	26.8	Very low	203 Å²	203	137.3 Å²	137.3	77%	0.766	72%	0.724	S	S	*	*			trans	34.1	142.6	148.7	-88.5	-176.9	165.2	107.3	-7	121.8
848	E	24.2	Very low	26.7	Very low	163 Å²	163	138.4 Å²	138.4	76%	0.762	73%	0.734	S	S	*	*			cis	-132.2	148.5	10.8	-63.3	-169.2	114.5	0	0	109.5
849	F	24.4	Very low	26.6	Very low	163 Å²	163	144.4 Å²	144.4	72%	0.715	75%	0.747	S	S	*	*				60	131.6	64	-138.9	-145.9	0	0	0	111.3
850	V	26.1	Very low	26.4	Very low	121 Å²	121	145.6 Å²	145.6	73%	0.733	75%	0.748	S	S	*	*			cis	-151.7	158.4	26.5	167.7	0	0	0	0	108.2
851	Q	26.1	Very low	26.5	Very low	143 Å²	143	147.1 Å²	147.1	67%	0.668	75%	0.75	S	S	*	*			cis	-176.8	157.1	-30	-169.8	77.9	-3	0	0	107.6
852	S	31.2	Very low	26.3	Very low	97 Å²	97	151.1 Å²	151.1	68%	0.678	75%	0.754	S	S	*	*			trans	-101.8	157.8	166.2	53	0	0	0	0	112.9
853	H	27.3	Very low	26	Very low	165 Å²	165	154.1 Å²	154.1	76%	0.764	76%	0.758	S	S	*	*			trans	-118.5	131.8	161.5	-98.2	-117.5	0	0	0	107.6
854	L	29.5	Very low	25.9	Very low	124 Å²	124	149.7 Å²	149.7	65%	0.649	75%	0.751	S	S	*	*				72.4	140.1	63.4	-62	170.1	0	0	0	111.4
855	D	25.1	Very low	25.8	Very low	122 Å²	122	154.6 Å²	154.6	65%	0.652	76%	0.756	S	S	*	*			cis	-160.2	168.7	10.2	-136.7	-20.8	0	0	0	115.9
856	V	25.8	Very low	25.6	Very low	130 Å²	130	152 Å²	152	79%	0.788	76%	0.758	S	S	*	*			trans	47	176.4	144.9	157.8	0	0	0	0	121.2
857	S	23.2	Very low	25.4	Very low	87 Å²	87	148.9 Å²	148.9	61%	0.608	76%	0.763	S	S	*	*			trans	-137.4	161.9	-158.9	60	0	0	0	0	115.9
858	N	24.4	Very low	25.4	Very low	147 Å²	147	145.4 Å²	145.4	79%	0.786	76%	0.759	S	S	*	*			trans	82.4	151.1	154.6	-67.5	-24.1	0	0	0	121.5
859	Q	24.6	Very low	25.4	Very low	180 Å²	180	148.1 Å²	148.1	84%	0.841	76%	0.762	S	S	*	*			trans	68.3	139	176.2	-69.9	169.4	-46.6	0	0	115.4
860	E	23	Very low	25.3	Very low	176 Å²	176	144.7 Å²	144.7	82%	0.822	76%	0.758	S	S	*	*			cis	-135.9	172.9	10.3	-137.3	158.3	-151.9	0	0	112.7
861	E	28.8	Very low	25.3	Very low	189 Å²	189	146.6 Å²	146.6	88%	0.883	76%	0.764	S	S	*	*			trans	-100.9	146.6	-179.8	-59	-177.4	118	0	0	111.6
862	D	23	Very low	25.2	Very low	158 Å²	158	145.4 Å²	145.4	85%	0.845	77%	0.766	S	S	*	*			trans	-158.1	161.3	140.5	-144	-15.8	0	0	0	114
863	W	22.2	Very low	25.6	Very low	231 Å²	231	145.6 Å²	145.6	88%	0.875	77%	0.765	S	S	*	*			trans	-131.7	129.5	174.7	-82.2	35.4	0	0	0	109.8
864	C	24.8	Very low	25.4	Very low	108 Å²	108	145.8 Å²	145.8	73%	0.73	77%	0.766	S	S	*	*			trans	178.1	155.5	132.3	-102.4	0	0	0	0	118.2
865	R	25.8	Very low	25.2	Very low	222 Å²	222	143.5 Å²	143.5	84%	0.838	76%	0.761	S	S	*	*			trans	54.7	122.2	138.2	-67	166.5	-176.3	-112.3	0.3	122.4
866	S	22.9	Very low	25.2	Very low	125 Å²	125	144.7 Å²	144.7	87%	0.874	77%	0.767	S	S	*	*				-4.5	138.1	128.1	-40.8	0	0	0	0	119.5
867	G	24.6	Very low	25.2	Very low	72 Å²	72	142.2 Å²	142.2	74%	0.742	76%	0.76	S	S	*	*			trans	151.2	80.3	143.4	0	0	0	0	0	120.5
868	L	26.1	Very low	25.4	Very low	131 Å²	131	146.2 Å²	146.2	69%	0.686	77%	0.769	S	S	*	*				51.8	116.2	126.8	-157.1	77.4	0	0	0	121.7
869	W	24.2	Very low	26.6	Very low	220 Å²	220	143.8 Å²	143.8	83%	0.833	76%	0.762	S	S	*	*			trans	68.3	158	155.1	-63.4	-14	0	0	0	117.4
870	S	23.6	Very low	26.6	Very low	90 Å²	90	140.1 Å²	140.1	63%	0.629	76%	0.756	S	S	*	*			cis	-167.3	156	-17.2	-100.6	0	0	0	0	111.4
871	L	24.3	Very low	26.7	Very low	162 Å²	162	137.8 Å²	137.8	85%	0.848	75%	0.749	S	S	*	*			trans	68.1	135.7	154.2	-66.3	164.5	0	0	0	122.1
872	T	23.9	Very low	26.6	Very low	117 Å²	117	136.2 Å²	136.2	72%	0.718	74%	0.742	S	S	*	*			trans	-35.7	164.4	149.9	49.3	0	0	0	0	116.1
873	P	41.3	Very low	26.6	Very low	102 Å²	102	137.1 Å²	137.1	66%	0.662	74%	0.738	S	S	*	*			cis	-154.3	-171.1	43.6	35.7	-9.6	0	0	0	119.3
874	H	23.1	Very low	27.6	Very low	168 Å²	168	130.4 Å²	130.4	78%	0.778	72%	0.724	S	S	*	*			trans	64.6	141.5	169	-64.7	-69.8	0	0	0	118.2
875	S	25.2	Very low	27.7	Very low	76 Å²	76	133.2 Å²	133.2	53%	0.531	73%	0.726	S	S	.	*			cis	119.1	142.3	-0.7	82.6	0	0	0	0	115.8
876	D	23.7	Very low	27.6	Very low	148 Å²	148	131.5 Å²	131.5	79%	0.791	73%	0.728	S	S	*	*			trans	72.8	147.5	161.3	-45.3	-51.6	0	0	0	119
877	A	26.6	Very low	27.7	Very low	78 Å²	78	130.2 Å²	130.2	65%	0.645	73%	0.725	S	S	*	*			cis	-170.8	179.3	-25.1	0	0	0	0	0	111.1
878	E	28.3	Very low	27.7	Very low	170 Å²	170	135.7 Å²	135.7	79%	0.794	73%	0.731	S	S	*	*			trans	71.2	164.1	156	-63.5	-57.9	85.1	0	0	120.5
879	P	48.2	Very low	27.8	Very low	97 Å²	97	134.4 Å²	134.4	63%	0.63	73%	0.733	S	S	*	*				-144.1	-168.9	-50.3	43.1	-26.7	0	0	0	116
880	S	24.3	Very low	27.8	Very low	103 Å²	103	130.2 Å²	130.2	72%	0.72	73%	0.732	S	S	*	*			trans	82.5	151	160.7	99.7	0	0	0	0	119
881	D	26.1	Very low	28	Very low	126 Å²	126	135.6 Å²	135.6	67%	0.674	74%	0.738	S	S	*	*			cis	-148.8	-177.1	8.3	-135.1	-37.4	0	0	0	116.3
882	Q	26.9	Very low	28.4	Very low	156 Å²	156	136.6 Å²	136.6	73%	0.729	73%	0.731	S	S	*	*			trans	-61.5	145.9	-167.8	-73.4	161.6	87.1	0	0	118.4
883	K	23.3	Very low	28.5	Very low	178 Å²	178	139.2 Å²	139.2	77%	0.774	73%	0.732	S	S	*	*				79.8	168.7	74.8	-130.6	-169.1	169.7	-170.9	0	112.8
884	P	42.3	Very low	27.9	Very low	89 Å²	89	142 Å²	142	58%	0.578	73%	0.734	S	S	*	*			cis	-143.3	171.5	-4.4	44.8	-26.2	0	0	0	120.2
885	Q	27.1	Very low	28.3	Very low	167 Å²	167	141.9 Å²	141.9	78%	0.78	73%	0.731	S	S	*	*			trans	64.4	160.2	147.5	-78.1	161.7	-87.6	0	0	120.4
886	E	23.7	Very low	28.6	Very low	186 Å²	186	146.5 Å²	146.5	87%	0.869	74%	0.742	S	S	*	*			cis	-120.9	-166.2	7.1	-69.9	-170.2	118	0	0	114
887	A	25.6	Very low	28.8	Very low	98 Å²	98	148.4 Å²	148.4	81%	0.81	74%	0.743	S	S	*	*			trans	-159.3	156.3	-178.5	0	0	0	0	0	114.1
888	E	24.4	Very low	29	Very low	188 Å²	188	154.3 Å²	154.3	88%	0.879	75%	0.754	S	S	*	*			trans	-159	164.8	156.6	-129.6	-158.7	177.7	0	0	115.7
889	S	26.8	Very low	29.1	Very low	103 Å²	103	154.8 Å²	154.8	72%	0.72	75%	0.753	S	S	*	*			trans	68.8	170.5	173	80.8	0	0	0	0	117
890	V	25.4	Very low	28.1	Very low	133 Å²	133	155.8 Å²	155.8	81%	0.806	76%	0.758	S	S	*	*			cis	-130.4	-153.6	-2.7	-148.5	0	0	0	0	111.2
891	R	28.3	Very low	28.3	Very low	202 Å²	202	156.8 Å²	156.8	76%	0.762	75%	0.754	S	S	*	*			trans	-156.2	158.6	-168.9	-72.9	-177.6	174.9	178.1	0.9	109.6
892	R	30.9	Very low	28.5	Very low	184 Å²	184	157.1 Å²	157.1	69%	0.694	75%	0.751	S	S	*	*			cis	-176.9	164	-6.4	-111.9	176.7	175.9	178.8	-4.1	112.5
893	K	27.2	Very low	28.5	Very low	172 Å²	172	157 Å²	157	75%	0.748	75%	0.75	S	S	*	*			trans	88.1	142.3	154.7	-64.6	143.7	177	-177.5	0	118.3
894	K	29	Very low	28.8	Very low	160 Å²	160	156.3 Å²	156.3	70%	0.696	75%	0.75	S	S	*	*			cis	-168.7	143.6	-9.8	-115.6	176.2	-176.2	173.3	0	113.7
895	K	30.4	Very low	28.1	Very low	166 Å²	166	156 Å²	156	72%	0.722	76%	0.755	S	S	*	*			trans	68.4	151.4	142.4	-80.3	-178.7	180	-173.9	0	120.1
896	K	31.5	Very low	28.1	Very low	173 Å²	173	153.3 Å²	153.3	75%	0.752	76%	0.755	S	S	*	*			cis	-166.8	163	-15.1	-141.6	-176.2	-176.4	-170.5	0	113
897	K	28	Very low	28.4	Very low	188 Å²	188	152.3 Å²	152.3	82%	0.817	76%	0.755	S	S	*	*			trans	74.3	134	166.5	-70.6	-175.7	171.2	-176.9	0	116.8
898	K	32	Very low	28.5	Very low	201 Å²	201	155.8 Å²	155.8	87%	0.874	75%	0.754	S	S	*	*			cis	88.7	100.5	19.7	-168.6	-176.6	179.8	174.6	0	116.8
899	K	28.6	Very low	28.7	Very low	181 Å²	181	154.3 Å²	154.3	79%	0.787	75%	0.747	S	S	*	*				-167.7	161.1	116.5	-139.2	-168.4	175.1	-166.2	0	112.1
900	T	29	Very low	28.7	Very low	118 Å²	118	155.4 Å²	155.4	72%	0.724	74%	0.744	S	S	*	*			trans	-125.1	164.7	177	-35.6	0	0	0	0	109.4
901	I	28.2	Very low	28.8	Very low	124 Å²	124	156 Å²	156	64%	0.636	74%	0.742	S	S	*	*			trans	-179.2	118.6	146.6	-95	149.3	0	0	0	105.9
902	E	30.2	Very low	28.7	Very low	133 Å²	133	151.6 Å²	151.6	62%	0.621	74%	0.743	S	S	*	*				81.1	151.3	59.8	-71.9	-179.4	125.7	0	0	112.6
903	Q	27.4	Very low	28.4	Very low	152 Å²	152	154.4 Å²	154.4	71%	0.71	75%	0.753	S	S	*	*			cis	-164	166.4	-5.4	-107.6	177.9	41.1	0	0	106.1
904	E	28.9	Very low	28.2	Very low	164 Å²	164	151.7 Å²	151.7	77%	0.766	76%	0.755	S	S	*	*			cis	-173.7	-164.2	-30.2	-146.1	53	-107.2	0	0	110.1
905	A	27.3	Very low	29	Very low	83 Å²	83	148.7 Å²	148.7	69%	0.686	75%	0.752	S	S	*	*			trans	82.4	107.7	151.4	0	0	0	0	0	122.6
906	S	28.1	Very low	28.8	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	75%	0.754	S	S	*	*				49.5	112.3	119.9	-54.8	0	0	0	0	124.4
907	L	29.1	Very low	28.7	Very low	166 Å²	166	142.5 Å²	142.5	87%	0.869	75%	0.746	S	S	*	*				60.6	150.8	125.1	-74.9	171.3	0	0	0	124.4
908	Q	27.8	Very low	28.7	Very low	170 Å²	170	138 Å²	138	79%	0.794	73%	0.728	S	S	*	*			trans	86.6	115.3	158.2	-75.9	179.2	-1.5	0	0	122.3
909	E	28	Very low	28.5	Very low	157 Å²	157	133.3 Å²	133.3	73%	0.734	70%	0.704	S	S	*	*				61	129.1	127.4	-67.8	-154.2	138.9	0	0	125.7
910	I	28.4	Very low	28.7	Very low	126 Å²	126	130.8 Å²	130.8	65%	0.646	70%	0.699	S	S	*	*			trans	80.5	116.8	131.1	-69.2	172	0	0	0	121.3
911	N	26.7	Very low	29.6	Very low	145 Å²	145	128.3 Å²	128.3	78%	0.775	69%	0.685	S	S	*	*			trans	55	125.5	145.5	-72.6	-22.6	0	0	0	123.9
912	S	25.9	Very low	29.7	Very low	111 Å²	111	130 Å²	130	78%	0.776	69%	0.691	S	S	*	*				111.4	143.7	121.7	77.4	0	0	0	0	121.7
913	R	25.5	Very low	29.7	Very low	243 Å²	243	127.7 Å²	127.7	92%	0.917	69%	0.686	S	S	*	*			trans	65.1	121.9	150.4	-101	179.9	176.6	172.6	-2.4	122.4
914	C	23.1	Very low	29.8	Very low	115 Å²	115	128.3 Å²	128.3	78%	0.777	69%	0.686	S	S	*	*			trans	-57.8	169.1	143.6	-121.7	0	0	0	0	111.3
915	P	44.3	Very low	29.6	Very low	97 Å²	97	126.4 Å²	126.4	63%	0.63	69%	0.686	S	S	*	*			cis	-147.8	-162	29	41.5	-18.9	0	0	0	117
916	T	27.3	Very low	29.7	Very low	125 Å²	125	126.3 Å²	126.3	77%	0.767	69%	0.685	S	S	*	*			trans	71.6	144.1	152.3	44.4	0	0	0	0	119.3
917	S	28.5	Very low	29.6	Very low	83 Å²	83	128 Å²	128	58%	0.58	69%	0.685	S	S	*	*			cis	-165.4	-163.1	-8.8	49.3	0	0	0	0	111.9
918	E	27.8	Very low	29.5	Very low	94 Å²	94	127.4 Å²	127.4	44%	0.439	68%	0.681	S	S	.	*			trans	93.5	155.5	162.4	-43.7	-60.1	103.7	0	0	118.6	S720 P721 F722	S720-E918 VanDerWaalsContact CB-CB 3.44Å; S720-E918 WeakPolarHBondContact OG-CB 3.2Å; P721-E918 WeakPolarHBondContact CB-OE2 3.4Å; F722-E918 WeakPolarHBondContact CD2-OE2 3.34Å; F722-E918 WeakPolarHBondContact CE2-OE2 3.49Å
919	R	28.3	Very low	29.5	Very low	102 Å²	102	124.4 Å²	124.4	39%	0.385	68%	0.678	S	S	.	*			trans	-99.4	-172.7	-161.5	61.2	141.7	-142.3	-153.1	1.2	116.5	L719 S720 P721 F722	L719-R919 CarbonylContact C-O 3.59Å; S720-R919 WeakPolarHBondContact CA-O 3.44Å; S720-R919 WeakPolarHBondContact CB-O 3.34Å; S720-R919 PolarHBondContact O-NH2 3.21Å; P721-R919 VanDerWaalsContact C-CD 3.47Å; P721-R919 PolarHBondContact O-NE 2.77Å; P721-R919 PolarHBondContact O-NH1 3.32Å; P721-R919 PolarHBondContact O-NH2 2.95Å; F722-R919 WeakPolarHBondContact O-CD 3.43Å; F722-R919 PolarHBondContact O-NH1 3.26Å
920	D	33	Very low	29.5	Very low	128 Å²	128	125.5 Å²	125.5	68%	0.684	68%	0.683	S	S	*	*			trans	-70.9	-166.6	162.4	-41.9	-93.5	0	0	0	112
921	P	47.6	Very low	29.5	Very low	66 Å²	66	126.5 Å²	126.5	43%	0.429	69%	0.69	S	S	.	*				-149.9	150.1	56.6	43.3	-22.7	0	0	0	118.2
922	E	31.4	Very low	29.5	Very low	161 Å²	161	124.5 Å²	124.5	75%	0.752	69%	0.693	S	S	*	*			trans	64.6	155.6	132.3	-66.9	-157.5	140.2	0	0	121.7
923	T	30.1	Very low	29.5	Very low	84 Å²	84	128.3 Å²	128.3	52%	0.515	70%	0.699	S	S	.	*			cis	-161.8	158.7	-6.6	21.4	0	0	0	0	113.2
924	K	27.9	Very low	29.7	Very low	165 Å²	165	123.4 Å²	123.4	72%	0.717	69%	0.691	S	S	*	*			trans	63.7	157	139.8	-69.4	161.5	-170.8	146.7	0	118.5
925	T	26.2	Very low	29.9	Very low	124 Å²	124	124.9 Å²	124.9	76%	0.761	69%	0.69	S	S	*	*			cis	-165.3	169.7	-10.5	20.4	0	0	0	0	110
926	A	28.8	Very low	29.1	Very low	81 Å²	81	126.3 Å²	126.3	67%	0.669	69%	0.691	S	S	*	*			trans	73.3	148.2	142.9	0	0	0	0	0	119.3
927	D	27	Very low	28.9	Very low	144 Å²	144	129.1 Å²	129.1	77%	0.77	69%	0.693	S	S	*	*			cis	-168	-179	-22.9	-123.7	-52.3	0	0	0	112.3
928	I	26.8	Very low	28.8	Very low	154 Å²	154	132.2 Å²	132.2	79%	0.79	71%	0.708	S	S	*	*			trans	78	150.3	157	-70.8	150.1	0	0	0	118.6
929	C	27.6	Very low	28.8	Very low	108 Å²	108	135 Å²	135	73%	0.73	73%	0.725	S	S	*	*			trans	-124.8	162.2	-176.2	-46.4	0	0	0	0	111.3
930	H	27.4	Very low	28.7	Very low	179 Å²	179	136.9 Å²	136.9	83%	0.829	74%	0.743	S	S	*	*				-177.1	175.2	125.4	-103	-60.8	0	0	0	113.7
931	D	28.2	Very low	28.4	Very low	147 Å²	147	139.2 Å²	139.2	79%	0.786	75%	0.747	S	S	*	*			trans	-97.1	158.9	-163.1	-38.6	-102.4	0	0	0	114.3
932	A	27.1	Very low	27.3	Very low	103 Å²	103	142.5 Å²	142.5	85%	0.851	76%	0.761	S	S	*	*			trans	-175.1	166.7	150.3	0	0	0	0	0	112.1
933	E	26.7	Very low	27	Very low	191 Å²	191	140.8 Å²	140.8	89%	0.893	76%	0.762	S	S	*	*			trans	-114.1	-179.7	-171.7	-62.4	-177.9	111.8	0	0	114.8
934	D	29	Very low	26.8	Very low	140 Å²	140	141.7 Å²	141.7	75%	0.749	76%	0.762	S	S	*	*			trans	76.4	101.3	157.7	-87.5	-9.5	0	0	0	124.4
935	L	27.6	Very low	26.7	Very low	146 Å²	146	143 Å²	143	76%	0.764	77%	0.768	S	S	*	*				45.9	115.7	109.5	-106.4	163.5	0	0	0	121
936	I	26.9	Very low	26.8	Very low	127 Å²	127	144.7 Å²	144.7	65%	0.651	76%	0.764	S	S	*	*				160.3	131.6	118.3	-86.8	171.3	0	0	0	115.1
937	K	23.9	Very low	26.7	Very low	185 Å²	185	150.2 Å²	150.2	80%	0.804	77%	0.773	S	S	*	*			trans	36.5	131.9	156.2	-60.9	160.9	-159	157	0	121.5
938	V	26.1	Very low	26.7	Very low	148 Å²	148	152.7 Å²	152.7	90%	0.897	78%	0.777	S	S	*	*				-142.1	146.6	114.4	177.1	0	0	0	0	109.1
939	N	26.9	Very low	26.6	Very low	151 Å²	151	154.8 Å²	154.8	81%	0.807	78%	0.781	S	S	*	*			trans	-145.8	127.2	175.2	-173.9	15.7	0	0	0	110.9
940	N	26.6	Very low	26.5	Very low	142 Å²	142	158.3 Å²	158.3	76%	0.759	78%	0.784	S	S	*	*			trans	166.2	148.4	175.7	-101.8	-43.6	0	0	0	108.1
941	K	26.3	Very low	26.6	Very low	177 Å²	177	156 Å²	156	77%	0.77	78%	0.777	S	S	*	*			cis	-157.9	174.6	17.2	-97.5	158.4	176.9	176.1	0	106.3
942	L	24.7	Very low	26.5	Very low	135 Å²	135	156.5 Å²	156.5	71%	0.707	77%	0.772	S	S	*	*			cis	-156.3	175.2	-1.6	-126.9	161.1	0	0	0	109.7	I944	L942-I944 HydrophobicContact CD2-CD1 4.49Å
943	T	25.1	Very low	26.6	Very low	126 Å²	126	156.5 Å²	156.5	77%	0.773	75%	0.754	S	S	*	*			trans	-113	-149.5	-175.8	58.8	0	0	0	0	112.8
944	I	26.6	Very low	26.8	Very low	102 Å²	102	153.6 Å²	153.6	52%	0.523	74%	0.741	S	S	.	*			trans	95.1	126.6	173.6	-54.7	167.4	0	0	0	112.2	L942 K946	L942-I944 HydrophobicContact CD2-CD1 4.49Å; I944-K946 HydrophobicContact CG2-CD 4.2Å
945	K	25	Very low	26.8	Very low	194 Å²	194	149.7 Å²	149.7	84%	0.843	72%	0.718	S	S	*	*				-109.2	-160.4	56.1	-74.5	62.6	165.6	-179.9	0	115.2
946	K	28.4	Very low	26.8	Very low	158 Å²	158	150 Å²	150	69%	0.687	71%	0.709	S	S	*	*			trans	-151.9	178.4	-178.7	-55	96.1	178.6	-171.6	0	108.4	I944	I944-K946 HydrophobicContact CG2-CD 4.2Å
947	K	26.9	Very low	27	Very low	197 Å²	197	147.5 Å²	147.5	86%	0.857	72%	0.715	S	S	*	*			cis	-170.1	167.2	4.4	-140.4	173.2	-175.7	178.8	0	108.9
948	K	26.8	Very low	27.3	Very low	197 Å²	197	143.4 Å²	143.4	86%	0.857	72%	0.715	S	S	*	*			trans	110.9	144.9	161.8	-66.2	174	176.3	174.2	0	117.4
949	K	24.2	Very low	27.4	Very low	198 Å²	198	146.7 Å²	146.7	86%	0.861	71%	0.712	S	S	*	*			cis	-152	157.5	-3	-140.8	-175.5	175	-171.4	0	114.6
950	K	26.1	Very low	27.4	Very low	182 Å²	182	147.9 Å²	147.9	79%	0.791	71%	0.71	S	S	*	*			trans	-56.4	170.7	168.3	-70.9	177.7	160.7	-167.5	0	115.2
951	L	28.6	Very low	27.2	Very low	131 Å²	131	146.5 Å²	146.5	69%	0.686	71%	0.71	S	S	*	*			cis	-161.2	-161.9	-9.3	-107.4	169.6	0	0	0	106.8
952	K	26.8	Very low	27.3	Very low	156 Å²	156	142.2 Å²	142.2	68%	0.678	70%	0.702	S	S	*	*			cis	-156.9	-174.9	11.5	-105	-152.7	-176.8	-78.5	0	107.6
953	E	30	Very low	27.4	Very low	103 Å²	103	143.4 Å²	143.4	48%	0.481	70%	0.704	S	S	.	*			cis	171	120.8	-40.3	-167.2	-177.7	93.7	0	0	113
954	E	30.7	Very low	27.4	Very low	130 Å²	130	144.9 Å²	144.9	61%	0.607	71%	0.707	S	S	*	*			trans	66	166.1	146.2	-71.3	-154.9	132.4	0	0	124.3
955	Q	27.6	Very low	27.5	Very low	58 Å²	58	148.4 Å²	148.4	27%	0.271	72%	0.722	S	S	.	*			cis	-164.3	162	0.5	-128.7	-176.8	34.9	0	0	115.9
956	R	28.7	Very low	27.5	Very low	152 Å²	152	144.5 Å²	144.5	57%	0.574	72%	0.719	S	S	*	*			trans	57.7	159.5	153.4	-66.4	-177.8	-161.3	-152.9	0.1	119.8	E526	E526-R956 VanDerWaalsContact CD-NH2 3.28Å; E526-R956 IonicContact OE1-CZ 3.3Å; E526-R956 IonicContact OE1-NH1 3.98Å; E526-R956 IonicContact OE1-NH2 2.74Å; E526-R956 PolarHBondContact OE1-NH2 3.5Å; E526-R956 IonicContact OE2-CZ 2.8Å; E526-R956 IonicContact OE2-NH1 3.67Å; E526-R956 PolarHBondContact OE2-NH1 3.18Å; E526-R956 IonicContact OE2-NH2 3.83Å; E526-R956 PolarHBondContact OE2-NH2 3.15Å
957	G	30.6	Very low	27.6	Very low	75 Å²	75	141.1 Å²	141.1	77%	0.773	72%	0.72	S	S	*	*			cis	110.5	143.1	2.7	0	0	0	0	0	114.1
958	A	29.7	Very low	27.6	Very low	99 Å²	99	142 Å²	142	82%	0.818	72%	0.724	S	S	*	*			cis	-168.2	-160.3	-6.2	0	0	0	0	0	110.3
959	R	28.5	Very low	27.5	Very low	217 Å²	217	141.2 Å²	141.2	82%	0.819	72%	0.723	S	S	*	*			trans	105.5	162.4	168.7	-63	177.6	176.7	-169.4	-1.7	118.9	K981	R959-K981 PolarHBondContact O-NZ 3.01Å
960	K	27.3	Very low	28.3	Very low	176 Å²	176	136.8 Å²	136.8	77%	0.765	72%	0.715	S	S	*	*			cis	-169.9	147.5	-36.2	-179.2	-176.6	180	-159.1	0	111.2
961	C	22.9	Very low	28.2	Very low	113 Å²	113	132.6 Å²	132.6	76%	0.764	71%	0.714	S	S	*	*			trans	56.4	-179.8	160.8	-70.6	0	0	0	0	121.8
962	S	28.1	Very low	28	Very low	88 Å²	88	132.4 Å²	132.4	62%	0.615	72%	0.724	S	S	*	*			trans	-155.9	178.4	-149.6	50.2	0	0	0	0	115.8
963	E	25.6	Very low	28.1	Very low	160 Å²	160	134.5 Å²	134.5	75%	0.748	73%	0.733	S	S	*	*			trans	78	162	-179.1	-69.7	55.5	-98.3	0	0	115.6
964	D	26.3	Very low	28	Very low	156 Å²	156	139 Å²	139	83%	0.834	75%	0.751	S	S	*	*			cis	-153.3	-159.3	19.6	-142.3	-48.3	0	0	0	114.7
965	E	28.3	Very low	27.6	Very low	177 Å²	177	142 Å²	142	83%	0.827	76%	0.763	S	S	*	*			trans	-77.7	152.5	-168.6	-76.6	-149.9	122.5	0	0	121.3
966	S	25.9	Very low	27.6	Very low	112 Å²	112	144.4 Å²	144.4	78%	0.783	79%	0.786	S	S	*	*				146.3	132.1	115.6	-163.8	0	0	0	0	119.4
967	A	29.1	Very low	28.2	Very low	87 Å²	87	142.8 Å²	142.8	72%	0.719	79%	0.792	S	S	*	*			trans	46.2	120.5	148.2	0	0	0	0	0	127.5
968	K	28.2	Very low	28.9	Very low	216 Å²	216	148.3 Å²	148.3	94%	0.939	80%	0.798	S	S	*	*			trans	64.3	157	132.7	-78.7	-172.1	176.5	-177.9	0	125.1
969	E	24	Very low	29.5	Very low	179 Å²	179	150.2 Å²	150.2	84%	0.836	80%	0.795	S	S	*	*			trans	-68.9	176.9	179	-100.2	-166	147.3	0	0	116.6
970	P	41.1	Very low	30.4	Very low	106 Å²	106	150.3 Å²	150.3	69%	0.688	80%	0.795	S	S	*	*			cis	-133.4	166.9	-2.4	24.2	-0.3	0	0	0	117.5
971	A	24.4	Very low	30.8	Very low	94 Å²	94	149.8 Å²	149.8	78%	0.777	79%	0.793	S	S	*	*			trans	18.4	117.1	154.1	0	0	0	0	0	122.2
972	S	24.8	Very low	31.6	Very low	126 Å²	126	151 Å²	151	88%	0.881	80%	0.796	S	S	*	*				176.7	178.9	104	58	0	0	0	0	113.8
973	K	27.6	Very low	32	Very low	201 Å²	201	150 Å²	150	87%	0.874	80%	0.799	S	S	*	*			trans	-76.5	126.8	-161.9	-56.8	163.6	-179.5	170.3	0	114.8
974	K	28.4	Very low	32.5	Very low	197 Å²	197	153 Å²	153	86%	0.857	81%	0.81	S	S	*	*				167.9	136.8	117.2	-92.9	169.6	179.8	179.4	0	114.2
975	F	23.1	Very low	32.9	Very low	194 Å²	194	154.7 Å²	154.7	85%	0.851	81%	0.813	S	S	*	*			trans	46.2	127.5	151.1	-93.5	-96.1	0	0	0	123.5
976	S	26.5	Very low	33.1	Very low	108 Å²	108	152 Å²	152	76%	0.755	81%	0.814	S	S	*	*			trans	67.8	151.6	153.9	82.7	0	0	0	0	118.3
977	T	42.4	Very low	33.6	Very low	117 Å²	117	153.6 Å²	153.6	72%	0.718	82%	0.819	S	S	*	*			cis	-157.9	149.5	7.2	-27	0	0	0	0	113.5
978	E	44.2	Very low	33.5	Very low	191 Å²	191	153.9 Å²	153.9	89%	0.893	82%	0.821	S	S	*	*			trans	64	172.8	158.8	-79.2	175.2	-178.3	0	0	123.3
979	D	42.6	Very low	33.4	Very low	140 Å²	140	149.3 Å²	149.3	75%	0.749	82%	0.817	S	S	*	*				-149.4	148	-125.8	-173.9	30.2	0	0	0	121.3
980	R	47.1	Very low	33.4	Very low	219 Å²	219	147.4 Å²	147.4	83%	0.826	82%	0.817	S	S	*	*			trans	88.3	123.8	141.4	-115.1	175.4	-176.8	-157.3	-3.1	128.2
981	K	37.3	Very low	33	Very low	165 Å²	165	148.4 Å²	148.4	72%	0.717	82%	0.821	S	S	*	*				166.8	148.8	126.5	-100.8	-174.2	172.6	-177.6	0	123	R959	R959-K981 PolarHBondContact O-NZ 3.01Å
982	V	37.9	Very low	33	Very low	138 Å²	138	149.6 Å²	149.6	84%	0.836	82%	0.818	S	S	*	*			trans	81.1	156.5	139.3	169.6	0	0	0	0	125
983	G	37.8	Very low	33.1	Very low	66 Å²	66	155 Å²	155	68%	0.68	82%	0.82	S	S	*	*			trans	-152	-163.7	-175.8	0	0	0	0	0	117.5
984	K	36.3	Very low	33.2	Very low	223 Å²	223	152.4 Å²	152.4	97%	0.97	82%	0.815	S	S	*	*			trans	-146.9	-179.5	-164.1	-93.2	169.3	175.1	169.8	0	117.8
985	E	33.5	Very low	33.2	Very low	192 Å²	192	147.3 Å²	147.3	90%	0.897	80%	0.804	S	S	*	*			trans	-130.2	169	-175.8	-59.3	177.5	115.8	0	0	115.8
986	S	32.8	Very low	33.5	Very low	121 Å²	121	146.5 Å²	146.5	85%	0.846	80%	0.803	S	S	*	*			trans	168.2	166.4	133.2	54.7	0	0	0	0	115.6
987	T	36.4	Very low	33.5	Very low	145 Å²	145	147.1 Å²	147.1	89%	0.89	80%	0.802	S	S	*	*			trans	-153.4	163.1	-174.9	54.5	0	0	0	0	114.8
988	A	26.2	Very low	32.7	Very low	93 Å²	93	149.4 Å²	149.4	77%	0.769	80%	0.798	S	S	*	*			trans	-162.6	152.3	172.7	0	0	0	0	0	117.9
989	S	26.2	Very low	31.9	Very low	121 Å²	121	146.5 Å²	146.5	85%	0.846	79%	0.788	S	S	*	*			trans	77.6	158	151.3	78.2	0	0	0	0	122.2
990	V	24.5	Very low	31.3	Very low	139 Å²	139	143.3 Å²	143.3	84%	0.842	79%	0.789	S	S	*	*			trans	-164.5	151.1	-157	154.3	0	0	0	0	107.9
991	V	33.9	Very low	30.2	Very low	126 Å²	126	142.2 Å²	142.2	76%	0.764	79%	0.786	S	S	*	*			cis	-167.8	150	-17.3	143.3	0	0	0	0	106.1
992	V	23.9	Very low	29.8	Very low	119 Å²	119	142.2 Å²	142.2	72%	0.721	79%	0.786	S	S	*	*			trans	163.6	146.6	154.6	148.7	0	0	0	0	110.3
993	W	25.5	Very low	29.2	Very low	240 Å²	240	146.6 Å²	146.6	91%	0.909	79%	0.787	S	S	*	*			trans	172.2	151	131.1	-99.7	98.1	0	0	0	111.3
994	D	29.7	Very low	28.8	Very low	147 Å²	147	148 Å²	148	79%	0.786	79%	0.787	S	S	*	*			trans	-152.9	157.2	169.5	-172.2	19.3	0	0	0	110.8
995	S	30.3	Very low	28.4	Very low	89 Å²	89	147 Å²	147	62%	0.622	78%	0.783	S	S	*	*			trans	79.9	150.2	165.6	-145.9	0	0	0	0	120.8
996	Q	28.1	Very low	28.2	Very low	178 Å²	178	142.5 Å²	142.5	83%	0.832	78%	0.778	S	S	*	*			trans	87.9	143.3	163.5	-59.7	-171.3	13.6	0	0	119.3
997	V	26.6	Very low	28.7	Very low	121 Å²	121	142.7 Å²	142.7	73%	0.733	78%	0.776	S	S	*	*			cis	-174.1	173.8	-28.1	105.9	0	0	0	0	108.1
998	R	26.8	Very low	28.4	Very low	165 Å²	165	139.1 Å²	139.1	62%	0.623	76%	0.761	S	S	*	*			trans	86.9	170.7	172.9	-59.3	-161.6	175.6	-111	30.2	117.9
999	D	27.3	Very low	28.9	Very low	129 Å²	129	138.3 Å²	138.3	69%	0.69	76%	0.755	S	S	*	*			cis	-172.6	149	-41.3	-82.9	-27.5	0	0	0	106.4
1000	G	28.2	Very low	29.3	Very low	74 Å²	74	140 Å²	140	76%	0.763	75%	0.75	S	S	*	*			trans	171.2	149.6	172.2	0	0	0	0	0	116.1
1001	Y	25.9	Very low	29.8	Very low	196 Å²	196	137.2 Å²	137.2	77%	0.769	75%	0.749	S	S	*	*			trans	-141.1	132.4	-167.6	-124.3	-140	0	0	0	114.3
1002	K	27.8	Very low	29.7	Very low	164 Å²	164	137.2 Å²	137.2	71%	0.713	75%	0.754	S	S	*	*			trans	54.7	107.2	144.7	-64.4	-176.6	-176.8	176.4	0	123.3
1003	R	25.6	Very low	30.1	Very low	231 Å²	231	138 Å²	138	87%	0.872	76%	0.759	S	S	*	*				85.6	120.1	107.5	-137.8	-164.4	-162.8	174	4.4	123.6
1004	S	28.5	Very low	30.9	Very low	96 Å²	96	132.2 Å²	132.2	67%	0.671	75%	0.753	S	S	*	*			trans	87.9	128.6	130.7	47.2	0	0	0	0	127.6
1005	K	27.7	Very low	30.9	Very low	202 Å²	202	129.5 Å²	129.5	88%	0.878	75%	0.751	S	S	*	*			trans	98	107.5	134.8	-86.6	-174.5	170.3	-167.3	0	124.7
1006	A	30.6	Very low	30.8	Very low	97 Å²	97	132.8 Å²	132.8	80%	0.802	76%	0.761	S	S	*	*			trans	48.4	173.8	131.7	0	0	0	0	0	122.8
1007	P	42	Very low	30.9	Very low	124 Å²	124	130.2 Å²	130.2	81%	0.805	76%	0.758	S	S	*	*			cis	-134.9	-158.1	-11.9	43.3	-23.1	0	0	0	116
1008	A	31.3	Very low	31	Very low	70 Å²	70	129.1 Å²	129.1	58%	0.579	76%	0.756	S	S	*	*			trans	73.5	170.8	163	0	0	0	0	0	119.9
1009	A	36.6	Very low	31.1	Very low	77 Å²	77	128.4 Å²	128.4	64%	0.636	77%	0.765	S	S	*	*			cis	-153.3	170.4	-2.8	0	0	0	0	0	112.6	K1029	A1009-K1029 WeakPolarHBondContact O-CE 3.48Å
1010	E	35.5	Very low	31.3	Very low	157 Å²	157	131.4 Å²	131.4	73%	0.734	77%	0.774	S	S	*	*			trans	-115.2	155	-153.8	-43.3	-55.2	117.4	0	0	121.4	K1029	E1010-K1029 IonicContact OE1-NZ 2.64Å; E1010-K1029 PolarHBondContact OE1-NZ 2.93Å; E1010-K1029 IonicContact OE2-NZ 3.72Å; E1010-K1029 PolarHBondContact OE2-NZ 3.41Å
1011	G	33.9	Very low	31.4	Very low	80 Å²	80	134.2 Å²	134.2	83%	0.825	78%	0.776	S	S	*	*			trans	87.7	154	161.2	0	0	0	0	0	118.3
1012	S	31	Very low	31.7	Very low	125 Å²	125	131.3 Å²	131.3	87%	0.874	78%	0.778	S	S	*	*			cis	-158.1	179.7	-10.3	56.8	0	0	0	0	111.8
1013	T	32.7	Very low	32.1	Very low	135 Å²	135	129.2 Å²	129.2	83%	0.828	78%	0.781	S	S	*	*			trans	-108.5	173.5	-165.2	42.3	0	0	0	0	114.7
1014	P	42.5	Very low	32.8	Very low	120 Å²	120	123 Å²	123	78%	0.779	78%	0.779	S	S	*	*			cis	-153.7	-179.6	32	45.6	-23.3	0	0	0	122.4
1015	A	30.1	Very low	33	Very low	90 Å²	90	122.1 Å²	122.1	74%	0.744	79%	0.785	S	S	*	*			trans	96.1	115.4	144.6	0	0	0	0	0	124.4
1016	N	28.8	Very low	33.6	Very low	157 Å²	157	124.6 Å²	124.6	84%	0.84	79%	0.79	S	S	*	*			trans	80.4	131.8	145	-78.2	0.2	0	0	0	126.3
1017	T	29.1	Very low	34.5	Very low	125 Å²	125	126.2 Å²	126.2	77%	0.767	79%	0.785	S	S	*	*			trans	76.8	94.6	153.5	19.9	0	0	0	0	123.2
1018	S	28.2	Very low	34.8	Very low	98 Å²	98	123.9 Å²	123.9	69%	0.685	78%	0.783	S	S	*	*			trans	48.6	119.5	133.7	62.4	0	0	0	0	124
1019	N	30.3	Very low	35.2	Very low	150 Å²	150	125.4 Å²	125.4	80%	0.802	78%	0.776	S	S	*	*			trans	57.8	84.2	137.1	-61.9	1.7	0	0	0	121.1
1020	H	30.7	Very low	35.8	Very low	192 Å²	192	131.6 Å²	131.6	89%	0.889	79%	0.789	S	S	*	*				-174.3	143.6	103.3	-112.8	-93.3	0	0	0	110.5
1021	V	29.8	Very low	36.2	Very low	132 Å²	132	130.2 Å²	130.2	80%	0.8	80%	0.797	S	S	*	*			trans	-109.8	123.4	-177.2	178.3	0	0	0	0	111.2
1022	V	33.2	Very low	36.7	Very low	136 Å²	136	130.1 Å²	130.1	82%	0.824	78%	0.783	S	S	*	*			trans	-99.3	131.1	160.5	176	0	0	0	0	107.7	A1024	V1022-A1024 PolarHBondContact O-N 3.35Å
1023	P	36.8	Very low	37.5	Very low	119 Å²	119	125.7 Å²	125.7	77%	0.773	76%	0.757	S	S	*	*			trans	-89	110.7	-169.8	32.5	-34	0	0	0	113.5
1024	A	39.8	Very low	38.5	Very low	100 Å²	100	124 Å²	124	83%	0.826	75%	0.747	S	S	*	*			trans	-153.5	131.4	161	0	0	0	0	0	111.2	V1022	V1022-A1024 PolarHBondContact O-N 3.35Å
1025	G	32.5	Very low	38.8	Very low	78 Å²	78	123.6 Å²	123.6	80%	0.804	74%	0.742	S	S	*	*			trans	93.1	124	179.6	0	0	0	0	0	113.7
1026	W	40.2	Very low	39.9	Very low	255 Å²	255	125.9 Å²	125.9	97%	0.966	74%	0.737	S	S	*	*			trans	-125.7	104.7	168.6	-144.3	52.1	0	0	0	107.7
1027	D	48.8	Very low	41	Very low	131 Å²	131	123.4 Å²	123.4	70%	0.701	72%	0.72	S	S	*	*			trans	-84.5	151.1	178.9	61.7	-50.5	0	0	0	111.4	K1029	D1027-K1029 VanDerWaalsContact C-N 3.31Å; D1027-K1029 PolarHBondContact O-N 3.12Å
1028	G	49.1	Very low	42	Very low	74 Å²	74	122.9 Å²	122.9	76%	0.763	71%	0.712	S	S	*	*	S	Bend	trans	-77.6	44.2	-153.5	0	0	0	0	0	118.2
1029	K	38.7	Very low	43.3	Very low	102 Å²	102	123.3 Å²	123.3	44%	0.443	71%	0.706	S	S	.	*			trans	-118.7	148.8	-179.1	-86.5	-178	171.2	-76.7	0	115.6	A1009 E1010 D1027	A1009-K1029 WeakPolarHBondContact O-CE 3.48Å; E1010-K1029 IonicContact OE1-NZ 2.64Å; E1010-K1029 PolarHBondContact OE1-NZ 2.93Å; E1010-K1029 IonicContact OE2-NZ 3.72Å; E1010-K1029 PolarHBondContact OE2-NZ 3.41Å; D1027-K1029 VanDerWaalsContact C-N 3.31Å; D1027-K1029 PolarHBondContact O-N 3.12Å
1030	K	49.2	Very low	44.2	Very low	208 Å²	208	124.4 Å²	124.4	90%	0.904	70%	0.704	S	S	*	*			trans	-116.3	123.7	178.7	-76.2	-175	173.5	-174.7	0	112
1031	S	45.2	Very low	44.9	Very low	128 Å²	128	119.4 Å²	119.4	90%	0.895	68%	0.684	S	S	*	*			trans	-154.3	53.6	161.8	51.4	0	0	0	0	112.3
1032	S	43.1	Very low	45.8	Very low	77 Å²	77	116.2 Å²	116.2	54%	0.538	67%	0.667	S	S	.	*	S	Bend	trans	-147.5	139.8	164.3	179.1	0	0	0	0	109.4	V1034	S1032-V1034 PolarHBondContact O-N 3.34Å
1033	G	49	Very low	46.6	Very low	32 Å²	32	115 Å²	115	33%	0.33	66%	0.66	S	S	.	*			trans	-76.6	115.8	172.1	0	0	0	0	0	110.1	V1035 E1036 E1037	G1033-V1035 PolarHBondContact O-N 2.77Å; G1033-E1036 WeakPolarHBondContact O-CA 3.42Å; G1033-E1036 WeakPolarHBondContact O-CB 3.17Å; G1033-E1036 PolarHBondContact O-N 3.13Å; G1033-E1037 PolarHBondContact O-N 3.03Å
1034	V	52.7	Low	47.3	Very low	101 Å²	101	110.1 Å²	110.1	61%	0.612	63%	0.628	S	S	*	*	H	α-helix	trans	-54.4	-30.2	174.7	179	0	0	0	0	111.7	S1032 L1038	S1032-V1034 PolarHBondContact O-N 3.34Å; V1034-L1038 HydrophobicContact CG1-CD1 4.03Å; V1034-L1038 HydrophobicContact CG1-CG 4.44Å; V1034-L1038 VanDerWaalsContact O-CB 3.23Å; V1034-L1038 WeakPolarHBondContact O-CB 3.28Å; V1034-L1038 WeakPolarHBondContact O-CD1 3.27Å; V1034-L1038 WeakPolarHBondContact O-CG 3.34Å; V1034-L1038 PolarHBondContact O-N 3.39Å
1035	V	49.4	Very low	48	Very low	111 Å²	111	114.9 Å²	114.9	67%	0.673	63%	0.63	S	S	*	*	H	α-helix	trans	-67.5	-39	173.2	178.9	0	0	0	0	112.2	G1033 L1039	G1033-V1035 PolarHBondContact O-N 2.77Å; V1035-L1039 HydrophobicContact CG1-CD1 4.14Å; V1035-L1039 WeakPolarHBondContact O-CB 3.4Å; V1035-L1039 WeakPolarHBondContact O-CD1 3.48Å; V1035-L1039 WeakPolarHBondContact O-CG 3.33Å; V1035-L1039 PolarHBondContact O-N 2.67Å
1036	E	52.4	Low	48.9	Very low	138 Å²	138	114 Å²	114	65%	0.645	62%	0.615	S	S	*	*	H	α-helix	trans	-75.7	-38.4	-179	-169.4	167.1	-154	0	0	111.4	G1033 L1039 K1040	G1033-E1036 WeakPolarHBondContact O-CA 3.42Å; G1033-E1036 WeakPolarHBondContact O-CB 3.17Å; G1033-E1036 PolarHBondContact O-N 3.13Å; E1036-L1039 WeakPolarHBondContact O-CB 3.25Å; E1036-L1039 PolarHBondContact O-N 3.01Å; E1036-K1040 WeakPolarHBondContact O-CB 3.36Å; E1036-K1040 PolarHBondContact O-N 2.76Å
1037	E	52.9	Low	49.5	Very low	104 Å²	104	111.6 Å²	111.6	49%	0.486	61%	0.607	S	S	.	*	H	α-helix	trans	-67.8	-38.2	171.6	-172.1	167.3	-141.1	0	0	112.2	G1033 N1041	G1033-E1037 PolarHBondContact O-N 3.03Å; E1037-N1041 PolarHBondContact O-N 3.38Å; E1037-N1041 VanDerWaalsContact O-N 3.16Å; E1037-N1041 PolarHBondContact O-ND2 2.95Å
1038	L	50.5	Low	50.1	Low	114 Å²	114	106.7 Å²	106.7	60%	0.597	59%	0.588	S	S	*	*	H	α-helix	trans	-66.4	-40.7	169.1	-76.6	169.6	0	0	0	111.9	V1034 N1041 S1042	V1034-L1038 HydrophobicContact CG1-CD1 4.03Å; V1034-L1038 HydrophobicContact CG1-CG 4.44Å; V1034-L1038 VanDerWaalsContact O-CB 3.23Å; V1034-L1038 WeakPolarHBondContact O-CB 3.28Å; V1034-L1038 WeakPolarHBondContact O-CD1 3.27Å; V1034-L1038 WeakPolarHBondContact O-CG 3.34Å; V1034-L1038 PolarHBondContact O-N 3.39Å; L1038-N1041 CarbonylContact O-C 3.53Å; L1038-N1041 PolarHBondContact O-N 2.87Å; L1038-S1042 VanDerWaalsContact O-CB 3.23Å; L1038-S1042 WeakPolarHBondContact O-CB 3.36Å; L1038-S1042 PolarHBondContact O-N 2.9Å; L1038-S1042 PolarHBondContact O-OG 3.27Å
1039	L	54.9	Low	50.5	Low	107 Å²	107	106.4 Å²	106.4	56%	0.56	58%	0.578	S	S	*	*	H	α-helix	trans	-59.7	-47.5	175.2	-83	164.5	0	0	0	111	V1035 E1036 N1041 S1042	V1035-L1039 HydrophobicContact CG1-CD1 4.14Å; V1035-L1039 WeakPolarHBondContact O-CB 3.4Å; V1035-L1039 WeakPolarHBondContact O-CD1 3.48Å; V1035-L1039 WeakPolarHBondContact O-CG 3.33Å; V1035-L1039 PolarHBondContact O-N 2.67Å; E1036-L1039 WeakPolarHBondContact O-CB 3.25Å; E1036-L1039 PolarHBondContact O-N 3.01Å; L1039-N1041 PolarHBondContact O-N 3.23Å; L1039-S1042 WeakPolarHBondContact CA-OG 3.48Å; L1039-S1042 PolarHBondContact O-N 2.89Å; L1039-S1042 PolarHBondContact O-OG 3.48Å
1040	K	48.9	Very low	51.4	Low	173 Å²	173	105.6 Å²	105.6	75%	0.752	58%	0.579	S	S	*	*	H	α-helix	trans	-59.3	-32.6	177.8	-161.5	170.8	-173.3	175.7	0	112.9	E1036	E1036-K1040 WeakPolarHBondContact O-CB 3.36Å; E1036-K1040 PolarHBondContact O-N 2.76Å
1041	N	46.2	Very low	52	Low	88 Å²	88	100 Å²	100	47%	0.471	56%	0.562	S	S	.	*	H	α-helix	trans	-89.1	-6	174.7	-71.8	-54.3	0	0	0	114.8	E1037 L1038 L1039	E1037-N1041 PolarHBondContact O-N 3.38Å; E1037-N1041 VanDerWaalsContact O-N 3.16Å; E1037-N1041 PolarHBondContact O-ND2 2.95Å; L1038-N1041 CarbonylContact O-C 3.53Å; L1038-N1041 PolarHBondContact O-N 2.87Å; L1039-N1041 PolarHBondContact O-N 3.23Å
1042	S	48.5	Very low	53.1	Low	64 Å²	64	98.8 Å²	98.8	45%	0.448	55%	0.545	S	S	.	.			trans	-97.2	-4.1	-175.3	73.7	0	0	0	0	115.2	L1038 L1039 N1044	L1038-S1042 VanDerWaalsContact O-CB 3.23Å; L1038-S1042 WeakPolarHBondContact O-CB 3.36Å; L1038-S1042 PolarHBondContact O-N 2.9Å; L1038-S1042 PolarHBondContact O-OG 3.27Å; L1039-S1042 WeakPolarHBondContact CA-OG 3.48Å; L1039-S1042 PolarHBondContact O-N 2.89Å; L1039-S1042 PolarHBondContact O-OG 3.48Å; S1042-N1044 PolarHBondContact O-N 2.81Å
1043	T	50.4	Low	54.2	Low	110 Å²	110	96.5 Å²	96.5	68%	0.675	53%	0.534	S	S	*	.	S	Bend	trans	-62.2	-29.3	-173.9	47.9	0	0	0	0	113.3	K1045	T1043-K1045 PolarHBondContact O-N 3.16Å
1044	N	49.9	Very low	54.7	Low	18 Å²	18	108.3 Å²	108.3	10%	0.096	57%	0.568	C	S	.	*			trans	-96.5	84.7	-179.8	-130.4	-25.3	0	0	0	111.6	S1042 A1046 Y1047 G1048 N1050	S1042-N1044 PolarHBondContact O-N 2.81Å; N1044-A1046 PolarHBondContact O-N 2.95Å; N1044-Y1047 PolarHBondContact O-N 3.26Å; N1044-G1048 WeakPolarHBondContact CB-O 3.36Å; N1044-G1048 PolarHBondContact O-N 3.02Å; N1044-G1048 VanDerWaalsContact O-N 3.15Å; N1044-N1050 PolarHBondContact ND2-OD1 2.99Å
1045	K	54.4	Low	55.4	Low	199 Å²	199	109.3 Å²	109.3	87%	0.865	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-8	-171.9	-86.2	177.4	179.6	163.7	0	116.5	T1043	T1043-K1045 PolarHBondContact O-N 3.16Å
1046	A	51.9	Low	55.9	Low	59 Å²	59	106.2 Å²	106.2	49%	0.488	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.3	-48	178.4	0	0	0	0	0	113.2	N1044 A1065	N1044-A1046 PolarHBondContact O-N 2.95Å; A1046-A1065 HydrophobicContact CB-CB 4.36Å
1047	Y	53.2	Low	56.7	Low	205 Å²	205	105.6 Å²	105.6	80%	0.804	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.5	-1.4	-167.5	-70.2	-72.1	0	0	0	116.2	N1044	N1044-Y1047 PolarHBondContact O-N 3.26Å
1048	G	60.7	Low	57.4	Low	29 Å²	29	102.9 Å²	102.9	30%	0.299	55%	0.549	S	S	.	.	S	Bend	trans	85.4	-151.3	-174	0	0	0	0	0	113	N1044	N1044-G1048 WeakPolarHBondContact CB-O 3.36Å; N1044-G1048 PolarHBondContact O-N 3.02Å; N1044-G1048 VanDerWaalsContact O-N 3.15Å
1049	A	59.2	Low	58.6	Low	68 Å²	68	99.2 Å²	99.2	56%	0.562	53%	0.532	S	S	*	.	S	Bend	trans	-56.4	143.7	-168.5	0	0	0	0	0	113.9	V1051	A1049-V1051 PolarHBondContact O-N 3.19Å
1050	N	57	Low	59.4	Low	85 Å²	85	96.5 Å²	96.5	46%	0.455	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-58.2	123	-173.4	-68.5	-9	0	0	0	112	N1044	N1044-N1050 PolarHBondContact ND2-OD1 2.99Å
1051	V	61	Low	60.1	Low	91 Å²	91	92.6 Å²	92.6	55%	0.552	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-83.3	118.3	173.9	-178	0	0	0	0	108.5	A1049 S1059	A1049-V1051 PolarHBondContact O-N 3.19Å; V1051-S1059 WeakPolarHBondContact O-CB 3.48Å; V1051-S1059 PolarHBondContact O-N 3.16Å; V1051-S1059 VanDerWaalsContact O-N 3.07Å
1052	L	68.9	Low	61.3	Low	101 Å²	101	89.1 Å²	89.1	53%	0.529	50%	0.498	S	S	.	.	B	Isolated β-bridge	trans	-85.4	153.5	173.4	-55.8	-177.5	0	0	0	110.9	E1057 V1058	L1052-E1057 CarbonylContact C-O 3.48Å; L1052-E1057 VanDerWaalsContact CA-O 3.26Å; L1052-E1057 WeakPolarHBondContact CA-O 3.28Å; L1052-V1058 HydrophobicContact CD2-CG2 4.25Å
1053	G	65.3	Low	62.4	Low	30 Å²	30	92.2 Å²	92.2	31%	0.309	50%	0.5	S	S	.	.			trans	-74.1	176.2	167	0	0	0	0	0	112.3	D1055 G1056 E1057	G1053-D1055 VanDerWaalsContact CA-OD1 3.3Å; G1053-D1055 WeakPolarHBondContact CA-OD1 3.38Å; G1053-D1055 PolarHBondContact O-N 3.47Å; G1053-G1056 PolarHBondContact O-N 2.84Å; G1053-E1057 PolarHBondContact N-O 2.88Å
1054	W	60	Low	63.5	Low	279 Å²	279	92.3 Å²	92.3	100%	1.057	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.2	175.1	-68.8	81.1	0	0	0	113.1
1055	D	68.1	Low	64.5	Low	122 Å²	122	92.2 Å²	92.2	65%	0.652	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-9.7	171.4	42.5	29.1	0	0	0	113.1	G1053 E1057	G1053-D1055 VanDerWaalsContact CA-OD1 3.3Å; G1053-D1055 WeakPolarHBondContact CA-OD1 3.38Å; G1053-D1055 PolarHBondContact O-N 3.47Å; D1055-E1057 VanDerWaalsContact C-N 3.31Å; D1055-E1057 PolarHBondContact OD1-N 3.5Å
1056	G	59.8	Low	65.4	Low	46 Å²	46	86.5 Å²	86.5	47%	0.474	48%	0.476	S	S	.	.	S	Bend	trans	82.1	0.5	-173.6	0	0	0	0	0	114.7	G1053	G1053-G1056 PolarHBondContact O-N 2.84Å
1057	E	68.6	Low	66.3	Low	125 Å²	125	88 Å²	88	58%	0.584	47%	0.473	S	S	*	.	S	Bend	trans	-78.6	159.2	176.6	-69	-161	178.5	0	0	112.1	L1052 G1053 D1055 S1059	L1052-E1057 CarbonylContact C-O 3.48Å; L1052-E1057 VanDerWaalsContact CA-O 3.26Å; L1052-E1057 WeakPolarHBondContact CA-O 3.28Å; G1053-E1057 PolarHBondContact N-O 2.88Å; D1055-E1057 VanDerWaalsContact C-N 3.31Å; D1055-E1057 PolarHBondContact OD1-N 3.5Å; E1057-S1059 PolarHBondContact O-N 3.31Å
1058	V	68.6	Low	67.1	Low	48 Å²	48	84.2 Å²	84.2	29%	0.291	47%	0.467	S	S	.	.	B	Isolated β-bridge	trans	-68.5	122.5	176.2	-178.8	0	0	0	0	109.7	L1052 R1063	L1052-V1058 HydrophobicContact CD2-CG2 4.25Å; V1058-R1063 HydrophobicContact CB-CG 4.38Å; V1058-R1063 HydrophobicContact CG1-CG 4.05Å; V1058-R1063 PolarHBondContact O-NE 3.33Å; V1058-R1063 PolarHBondContact O-NH2 2.99Å; V1058-R1063 VanDerWaalsContact O-NH2 3.15Å
1059	S	73.9	Confident	67.4	Low	37 Å²	37	86 Å²	86	26%	0.259	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-52.3	143.8	178.8	177.7	0	0	0	0	112.1	V1051 E1057 V1061 S1062 R1063	V1051-S1059 WeakPolarHBondContact O-CB 3.48Å; V1051-S1059 PolarHBondContact O-N 3.16Å; V1051-S1059 VanDerWaalsContact O-N 3.07Å; E1057-S1059 PolarHBondContact O-N 3.31Å; S1059-V1061 PolarHBondContact O-N 3.36Å; S1059-S1062 WeakPolarHBondContact O-CA 3.31Å; S1059-S1062 WeakPolarHBondContact O-CB 3.48Å; S1059-S1062 PolarHBondContact O-N 3.17Å; S1059-R1063 PolarHBondContact O-N 2.95Å
1060	A	71.6	Confident	67.8	Low	49 Å²	49	89.5 Å²	89.5	41%	0.405	47%	0.471	S	S	.	.	H	α-helix	trans	-53.2	-41.2	179.3	0	0	0	0	0	112.1	S1062 R1063 D1064	A1060-S1062 VanDerWaalsContact C-N 3.26Å; A1060-S1062 PolarHBondContact O-N 3.45Å; A1060-R1063 WeakPolarHBondContact O-CB 3.42Å; A1060-R1063 PolarHBondContact O-N 2.83Å; A1060-D1064 PolarHBondContact O-N 3.4Å
1061	V	64.8	Low	68.1	Low	92 Å²	92	88.4 Å²	88.4	56%	0.558	47%	0.469	S	S	*	.	H	α-helix	trans	-62.4	-32.5	177.2	-175.8	0	0	0	0	112.3	S1059 A1065	S1059-V1061 PolarHBondContact O-N 3.36Å; V1061-A1065 PolarHBondContact O-N 3.16Å
1062	S	71.6	Confident	68.1	Low	15 Å²	15	87 Å²	87	11%	0.105	47%	0.468	C	S	.	.	H	α-helix	trans	-78.8	-27.1	174.7	-64	0	0	0	0	112.6	S1059 A1060 I1066	S1059-S1062 WeakPolarHBondContact O-CA 3.31Å; S1059-S1062 WeakPolarHBondContact O-CB 3.48Å; S1059-S1062 PolarHBondContact O-N 3.17Å; A1060-S1062 VanDerWaalsContact C-N 3.26Å; A1060-S1062 PolarHBondContact O-N 3.45Å; S1062-I1066 VanDerWaalsContact O-CD1 3.32Å; S1062-I1066 WeakPolarHBondContact O-CD1 3.29Å; S1062-I1066 VanDerWaalsContact O-CG1 3.27Å; S1062-I1066 WeakPolarHBondContact O-CG1 3.13Å; S1062-I1066 PolarHBondContact O-N 2.97Å
1063	R	72.3	Confident	67.4	Low	128 Å²	128	89 Å²	89	48%	0.483	48%	0.476	S	S	.	.	H	α-helix	trans	-71.9	-46.4	172.5	-78.3	179.8	-90.3	144.1	-18.1	111.9	V1058 S1059 A1060 A1065 I1066 E1067	V1058-R1063 HydrophobicContact CB-CG 4.38Å; V1058-R1063 HydrophobicContact CG1-CG 4.05Å; V1058-R1063 PolarHBondContact O-NE 3.33Å; V1058-R1063 PolarHBondContact O-NH2 2.99Å; V1058-R1063 VanDerWaalsContact O-NH2 3.15Å; S1059-R1063 PolarHBondContact O-N 2.95Å; A1060-R1063 WeakPolarHBondContact O-CB 3.42Å; A1060-R1063 PolarHBondContact O-N 2.83Å; R1063-A1065 VanDerWaalsContact C-N 3.28Å; R1063-A1065 PolarHBondContact O-N 3.41Å; R1063-I1066 PolarHBondContact O-N 2.97Å; R1063-E1067 PolarHBondContact O-N 3.27Å; R1063-E1067 VanDerWaalsContact O-N 3.09Å
1064	D	73.3	Confident	66.9	Low	113 Å²	113	92.2 Å²	92.2	60%	0.604	49%	0.492	S	S	*	.	H	α-helix	trans	-57.5	-42.7	177	-63.2	-17	0	0	0	111	A1060 I1066 E1067 D1068	A1060-D1064 PolarHBondContact O-N 3.4Å; D1064-I1066 VanDerWaalsContact C-N 3.31Å; D1064-I1066 PolarHBondContact O-N 3.44Å; D1064-E1067 PolarHBondContact O-N 3.15Å; D1064-D1068 PolarHBondContact O-N 3Å
1065	A	70.3	Confident	66.4	Low	16 Å²	16	86 Å²	86	13%	0.132	48%	0.48	C	S	.	.	H	α-helix	trans	-63.8	-30.1	176.5	0	0	0	0	0	114.2	A1046 V1061 R1063 V1069	A1046-A1065 HydrophobicContact CB-CB 4.36Å; V1061-A1065 PolarHBondContact O-N 3.16Å; R1063-A1065 VanDerWaalsContact C-N 3.28Å; R1063-A1065 PolarHBondContact O-N 3.41Å; A1065-V1069 VanDerWaalsContact O-CG2 3.32Å; A1065-V1069 WeakPolarHBondContact O-CG2 3.4Å; A1065-V1069 PolarHBondContact O-N 3.26Å
1066	I	73.4	Confident	65.4	Low	78 Å²	78	84.2 Å²	84.2	40%	0.4	47%	0.474	S	S	.	.	H	α-helix	trans	-74.5	-39.8	175.8	-70.6	164	0	0	0	110.3	S1062 R1063 D1064 V1069 R1070	S1062-I1066 VanDerWaalsContact O-CD1 3.32Å; S1062-I1066 WeakPolarHBondContact O-CD1 3.29Å; S1062-I1066 VanDerWaalsContact O-CG1 3.27Å; S1062-I1066 WeakPolarHBondContact O-CG1 3.13Å; S1062-I1066 PolarHBondContact O-N 2.97Å; R1063-I1066 PolarHBondContact O-N 2.97Å; D1064-I1066 VanDerWaalsContact C-N 3.31Å; D1064-I1066 PolarHBondContact O-N 3.44Å; I1066-V1069 PolarHBondContact O-N 2.91Å; I1066-R1070 WeakPolarHBondContact O-CB 3.23Å; I1066-R1070 PolarHBondContact O-N 2.8Å
1067	E	71.4	Confident	64.6	Low	92 Å²	92	89.1 Å²	89.1	43%	0.43	49%	0.494	S	S	.	.	H	α-helix	trans	-69.8	-38	179.6	-156.5	62.8	-138.7	0	0	112.2	R1063 D1064 R1070 S1071	R1063-E1067 PolarHBondContact O-N 3.27Å; R1063-E1067 VanDerWaalsContact O-N 3.09Å; D1064-E1067 PolarHBondContact O-N 3.15Å; E1067-R1070 PolarHBondContact O-N 2.75Å; E1067-R1070 IonicContact OE1-CZ 2.85Å; E1067-R1070 IonicContact OE1-NE 3.55Å; E1067-R1070 PolarHBondContact OE1-NE 3.47Å; E1067-R1070 IonicContact OE1-NH2 4Å; E1067-R1070 PolarHBondContact OE1-NH2 2.95Å; E1067-R1070 IonicContact OE2-NE 2.79Å; E1067-S1071 PolarHBondContact O-N 3.49Å; E1067-S1071 PolarHBondContact O-OG 2.91Å
1068	D	69	Low	63.3	Low	125 Å²	125	88.7 Å²	88.7	67%	0.668	49%	0.494	S	S	*	.	H	α-helix	trans	-60.1	-44.1	171.4	-101.4	2.9	0	0	0	111.6	D1064 S1071 A1072	D1064-D1068 PolarHBondContact O-N 3Å; D1068-S1071 PolarHBondContact O-N 3.04Å; D1068-A1072 WeakPolarHBondContact O-CB 3.42Å; D1068-A1072 PolarHBondContact O-N 3.44Å
1069	V	67.7	Low	62.3	Low	67 Å²	67	91.2 Å²	91.2	41%	0.406	51%	0.507	S	S	.	.	H	α-helix	trans	-64.8	-40.5	175.5	168.8	0	0	0	0	111	A1065 I1066 A1072 M1073	A1065-V1069 VanDerWaalsContact O-CG2 3.32Å; A1065-V1069 WeakPolarHBondContact O-CG2 3.4Å; A1065-V1069 PolarHBondContact O-N 3.26Å; I1066-V1069 PolarHBondContact O-N 2.91Å; V1069-A1072 PolarHBondContact O-N 2.98Å; V1069-M1073 HydrophobicContact CG1-SD 4.36Å; V1069-M1073 WeakPolarHBondContact O-CG 3.36Å; V1069-M1073 PolarHBondContact O-N 2.75Å; V1069-M1073 VanDerWaalsContact O-N 3.13Å
1070	R	66.4	Low	60.8	Low	141 Å²	141	97.8 Å²	97.8	53%	0.532	53%	0.533	S	S	.	.	H	α-helix	trans	-62.9	-44.4	177.5	-160.9	179.1	74.6	80.2	0.1	111.6	I1066 E1067 M1073 C1074	I1066-R1070 WeakPolarHBondContact O-CB 3.23Å; I1066-R1070 PolarHBondContact O-N 2.8Å; E1067-R1070 PolarHBondContact O-N 2.75Å; E1067-R1070 IonicContact OE1-CZ 2.85Å; E1067-R1070 IonicContact OE1-NE 3.55Å; E1067-R1070 PolarHBondContact OE1-NE 3.47Å; E1067-R1070 IonicContact OE1-NH2 4Å; E1067-R1070 PolarHBondContact OE1-NH2 2.95Å; E1067-R1070 IonicContact OE2-NE 2.79Å; R1070-M1073 PolarHBondContact O-N 2.76Å; R1070-C1074 PolarHBondContact O-N 2.85Å; R1070-C1074 PolarHBondContact O-SG 3.31Å
1071	S	64.1	Low	59.4	Low	61 Å²	61	106.2 Å²	106.2	43%	0.427	56%	0.555	S	S	.	*	H	α-helix	trans	-62.7	-42.6	174.3	-62.9	0	0	0	0	112	E1067 D1068 M1073 C1074 D1075	E1067-S1071 PolarHBondContact O-N 3.49Å; E1067-S1071 PolarHBondContact O-OG 2.91Å; D1068-S1071 PolarHBondContact O-N 3.04Å; S1071-M1073 PolarHBondContact O-N 2.6Å; S1071-C1074 PolarHBondContact O-N 3.25Å; S1071-D1075 PolarHBondContact O-N 2.84Å
1072	A	60	Low	58.7	Low	63 Å²	63	107.2 Å²	107.2	52%	0.521	56%	0.557	S	S	.	*	H	α-helix	trans	-64	-22.9	178.1	0	0	0	0	0	114.2	D1068 V1069	D1068-A1072 WeakPolarHBondContact O-CB 3.42Å; D1068-A1072 PolarHBondContact O-N 3.44Å; V1069-A1072 PolarHBondContact O-N 2.98Å
1073	M	55.8	Low	57.4	Low	143 Å²	143	112 Å²	112	70%	0.704	58%	0.577	S	S	*	*	H	α-helix	trans	-84.9	-23.4	172.8	-65.7	-179.9	91.8	0	0	113.1	V1069 R1070 S1071 T1076	V1069-M1073 HydrophobicContact CG1-SD 4.36Å; V1069-M1073 WeakPolarHBondContact O-CG 3.36Å; V1069-M1073 PolarHBondContact O-N 2.75Å; V1069-M1073 VanDerWaalsContact O-N 3.13Å; R1070-M1073 PolarHBondContact O-N 2.76Å; S1071-M1073 PolarHBondContact O-N 2.6Å; M1073-T1076 PolarHBondContact O-OG1 3.38Å
1074	C	55.1	Low	56.2	Low	96 Å²	96	111.1 Å²	111.1	65%	0.649	58%	0.583	S	S	*	*	H	α-helix	trans	-81	-27.5	176	-68.3	0	0	0	0	113.4	R1070 S1071 T1076	R1070-C1074 PolarHBondContact O-N 2.85Å; R1070-C1074 PolarHBondContact O-SG 3.31Å; S1071-C1074 PolarHBondContact O-N 3.25Å; C1074-T1076 VanDerWaalsContact C-N 3.34Å
1075	D	49.3	Very low	54.6	Low	148 Å²	148	114 Å²	114	79%	0.791	59%	0.59	S	S	*	*	S	Bend	trans	-80.2	-8.1	-179.1	-99.2	5.2	0	0	0	114.3	S1071 V1077	S1071-D1075 PolarHBondContact O-N 2.84Å; D1075-V1077 PolarHBondContact O-N 2.84Å
1076	T	47.3	Very low	53.5	Low	86 Å²	86	120.1 Å²	120.1	53%	0.528	62%	0.62	S	S	.	*			trans	-93.1	97	-179.8	49.6	0	0	0	0	112.5	M1073 C1074 I1078	M1073-T1076 PolarHBondContact O-OG1 3.38Å; C1074-T1076 VanDerWaalsContact C-N 3.34Å; T1076-I1078 PolarHBondContact O-N 2.88Å
1077	V	41.9	Very low	52	Low	148 Å²	148	122.8 Å²	122.8	90%	0.897	63%	0.626	S	S	*	*			trans	-70.6	110	161.7	-179	0	0	0	0	108.5	D1075	D1075-V1077 PolarHBondContact O-N 2.84Å
1078	I	41.4	Very low	50.6	Low	116 Å²	116	121.6 Å²	121.6	60%	0.595	64%	0.638	S	S	*	*			trans	-78.1	138.2	173.8	-60.1	170.5	0	0	0	108.2	T1076 D1082	T1076-I1078 PolarHBondContact O-N 2.88Å; I1078-D1082 HydrophobicContact CG2-CB 4.32Å
1079	D	47.8	Very low	49	Very low	102 Å²	102	125.5 Å²	125.5	55%	0.545	65%	0.649	S	S	.	*			trans	-102.9	160.4	167.7	75.8	28.3	0	0	0	111.3	W1081 D1082	D1079-W1081 PolarHBondContact O-N 3.33Å; D1079-W1081 WeakPolarHBondContact OD1-CB 3.15Å; D1079-W1081 PolarHBondContact OD1-N 3.24Å; D1079-W1081 VanDerWaalsContact OD1-N 3.17Å; D1079-D1082 PolarHBondContact O-N 2.99Å; D1079-D1082 VanDerWaalsContact O-N 3.16Å
1080	E	42.1	Very low	47.5	Very low	175 Å²	175	128.6 Å²	128.6	82%	0.818	67%	0.668	S	S	*	*	H	α-helix	trans	-61.1	-11.9	-172.5	-59.8	177.3	146.7	0	0	113.8
1081	W	43.4	Very low	45.9	Very low	225 Å²	225	132 Å²	132	85%	0.852	69%	0.686	S	S	*	*	H	α-helix	trans	-81.9	-28.2	178.4	-92.7	61.9	0	0	0	114	D1079	D1079-W1081 PolarHBondContact O-N 3.33Å; D1079-W1081 WeakPolarHBondContact OD1-CB 3.15Å; D1079-W1081 PolarHBondContact OD1-N 3.24Å; D1079-W1081 VanDerWaalsContact OD1-N 3.17Å
1082	D	48.5	Very low	44.4	Very low	113 Å²	113	138.2 Å²	138.2	60%	0.604	71%	0.706	S	S	*	*	H	α-helix	trans	-75.4	-34.4	179.3	-85.8	-20.5	0	0	0	111.3	I1078 D1079 D1084 F1085	I1078-D1082 HydrophobicContact CG2-CB 4.32Å; D1079-D1082 PolarHBondContact O-N 2.99Å; D1079-D1082 VanDerWaalsContact O-N 3.16Å; D1082-D1084 VanDerWaalsContact C-N 3.33Å; D1082-D1084 PolarHBondContact O-N 3.36Å; D1082-F1085 PolarHBondContact O-N 3.39Å
1083	E	45.1	Very low	43	Very low	115 Å²	115	141.4 Å²	141.4	54%	0.537	72%	0.719	S	S	.	*	H	α-helix	trans	-63.1	-35.1	175	-78.7	-156.8	-175.5	0	0	114	F1085 R1087	E1083-F1085 PolarHBondContact O-N 3.05Å; E1083-R1087 IonicContact OE2-CZ 2.76Å; E1083-R1087 IonicContact OE2-NH1 3.6Å; E1083-R1087 PolarHBondContact OE2-NH1 3.16Å; E1083-R1087 IonicContact OE2-NH2 2.71Å
1084	D	47.1	Very low	41.6	Very low	111 Å²	111	143 Å²	143	59%	0.594	72%	0.721	S	S	*	*	H	α-helix	trans	-74	-14.9	-175.4	-123.7	14.1	0	0	0	112.5	D1082 R1087	D1082-D1084 VanDerWaalsContact C-N 3.33Å; D1082-D1084 PolarHBondContact O-N 3.36Å; D1084-R1087 IonicContact OD1-CZ 2.76Å; D1084-R1087 VanDerWaalsContact OD1-CZ 3.3Å; D1084-R1087 IonicContact OD1-NE 2.69Å; D1084-R1087 PolarHBondContact OD1-NE 3.28Å; D1084-R1087 IonicContact OD1-NH2 3.73Å; D1084-R1087 PolarHBondContact OD1-NH2 2.61Å
1085	F	40.3	Very low	40.4	Very low	174 Å²	174	144.6 Å²	144.6	76%	0.763	72%	0.724	S	S	*	*	H	α-helix	trans	-76.6	-34.9	-179.7	-162.6	-100.2	0	0	0	113	D1082 E1083	D1082-F1085 PolarHBondContact O-N 3.39Å; E1083-F1085 PolarHBondContact O-N 3.05Å
1086	D	46.6	Very low	39.3	Very low	143 Å²	143	147.4 Å²	147.4	77%	0.765	72%	0.724	S	S	*	*	H	α-helix	trans	-82.7	-11.9	-176.4	-77.4	-18.5	0	0	0	113.7	G1088	D1086-G1088 PolarHBondContact O-N 3.31Å
1087	R	41.7	Very low	38.3	Very low	135 Å²	135	152.3 Å²	152.3	51%	0.509	74%	0.739	S	S	.	*	S	Bend	trans	-76.9	47.5	178.2	-65.4	-170.7	-89.4	-104.4	8.6	113.1	E1083 D1084 K1089	E1083-R1087 IonicContact OE2-CZ 2.76Å; E1083-R1087 IonicContact OE2-NH1 3.6Å; E1083-R1087 PolarHBondContact OE2-NH1 3.16Å; E1083-R1087 IonicContact OE2-NH2 2.71Å; D1084-R1087 IonicContact OD1-CZ 2.76Å; D1084-R1087 VanDerWaalsContact OD1-CZ 3.3Å; D1084-R1087 IonicContact OD1-NE 2.69Å; D1084-R1087 PolarHBondContact OD1-NE 3.28Å; D1084-R1087 IonicContact OD1-NH2 3.73Å; D1084-R1087 PolarHBondContact OD1-NH2 2.61Å; R1087-K1089 PolarHBondContact O-N 2.71Å
1088	G	41.1	Very low	37.9	Very low	67 Å²	67	154.8 Å²	154.8	69%	0.691	73%	0.732	S	S	*	*			trans	-49.7	94.5	-161.1	0	0	0	0	0	117.9	D1086	D1086-G1088 PolarHBondContact O-N 3.31Å
1089	K	35.4	Very low	37.1	Very low	206 Å²	206	156.8 Å²	156.8	90%	0.896	74%	0.739	S	S	*	*			trans	-108.1	105.1	171.1	-76.4	175.5	179.7	169.1	0	111.9	R1087	R1087-K1089 PolarHBondContact O-N 2.71Å
1090	V	37.4	Very low	36.2	Very low	133 Å²	133	161.7 Å²	161.7	81%	0.806	76%	0.755	S	S	*	*			trans	-86.3	127.5	-179.6	-178.3	0	0	0	0	111.9
1091	K	32.5	Very low	35.5	Very low	211 Å²	211	163.8 Å²	163.8	92%	0.917	76%	0.756	S	S	*	*			trans	-117.5	145.6	156.9	-92.7	-176.2	175	176.9	0	111.1
1092	K	32.9	Very low	34.9	Very low	193 Å²	193	164.7 Å²	164.7	84%	0.839	76%	0.759	S	S	*	*			trans	-99.8	151.8	-164.2	-101.5	173.1	177.5	171	0	112.8
1093	V	31.1	Very low	33.9	Very low	130 Å²	130	163.2 Å²	163.2	79%	0.788	76%	0.757	S	S	*	*			trans	72.3	133.6	155.4	169.2	0	0	0	0	115.6
1094	K	26.6	Very low	33.4	Very low	176 Å²	176	164 Å²	164	77%	0.765	78%	0.776	S	S	*	*			cis	-148.5	131.2	-1.9	-132.1	171.7	-170	169.3	0	112.7
1095	N	29	Very low	32.7	Very low	130 Å²	130	161.4 Å²	161.4	70%	0.695	77%	0.766	S	S	*	*			trans	65.7	130.3	144.8	-78.1	5.5	0	0	0	124.7
1096	Y	26.1	Very low	32.9	Very low	206 Å²	206	155.4 Å²	155.4	81%	0.808	75%	0.746	S	S	*	*			trans	72.1	88	150.5	-72.7	-61.5	0	0	0	121.1
1097	K	25.7	Very low	32.7	Very low	190 Å²	190	154 Å²	154	83%	0.826	74%	0.737	S	S	*	*				-165	129.4	101.5	-106.2	159.4	-168.3	157.8	0	115.7
1098	R	34.7	Very low	32.7	Very low	200 Å²	200	150 Å²	150	76%	0.755	72%	0.724	S	S	*	*			trans	57.7	84.8	137.9	-169.8	-171.6	-71.4	166.7	-5	116.4
1099	E	25	Very low	32.8	Very low	158 Å²	158	149.8 Å²	149.8	74%	0.738	70%	0.704	S	S	*	*			trans	-55.6	156	155.7	-71.3	179.3	-171.7	0	0	112.5	W1101	E1099-W1101 PolarHBondContact OE2-NE1 3.26Å
1100	K	27.8	Very low	32.9	Very low	204 Å²	204	142.6 Å²	142.6	89%	0.887	67%	0.673	S	S	*	*			trans	-133.9	61.8	-171.1	-171.4	-170.6	174.2	-169.5	0	109.7	R1102	K1100-R1102 PolarHBondContact O-N 2.95Å
1101	W	27.2	Very low	33.3	Very low	219 Å²	219	139.2 Å²	139.2	83%	0.83	65%	0.65	S	S	*	*			trans	-54.1	127.7	-177.5	-85.2	75.3	0	0	0	112.8	E1099	E1099-W1101 PolarHBondContact OE2-NE1 3.26Å
1102	R	31.3	Very low	33.7	Very low	245 Å²	245	132.6 Å²	132.6	93%	0.925	62%	0.622	S	S	*	*			trans	-64.7	138.1	164.4	-61.5	-174.8	-173	-168.7	5.2	107.8	K1100	K1100-R1102 PolarHBondContact O-N 2.95Å
1103	S	26.9	Very low	34.2	Very low	81 Å²	81	126.1 Å²	126.1	57%	0.566	60%	0.597	S	S	*	*			trans	-158	115.9	173.4	166.9	0	0	0	0	109	S1105 K1110	S1103-S1105 PolarHBondContact O-N 3.37Å; S1103-K1110 PolarHBondContact O-NZ 3.29Å; S1103-K1110 PolarHBondContact OG-NZ 3.27Å
1104	S	34.7	Very low	34.6	Very low	132 Å²	132	127 Å²	127	92%	0.923	59%	0.586	S	S	*	*			trans	-65	113.1	177.1	-171.4	0	0	0	0	110.9
1105	S	33.4	Very low	35.3	Very low	57 Å²	57	124.8 Å²	124.8	40%	0.399	57%	0.573	S	S	.	*	S	Bend	trans	-169.6	157.9	153.5	76.8	0	0	0	0	106.9	S1103 I1107 K1110	S1103-S1105 PolarHBondContact O-N 3.37Å; S1105-I1107 PolarHBondContact O-N 3.46Å; S1105-K1110 VanDerWaalsContact OG-CD 3.25Å; S1105-K1110 WeakPolarHBondContact OG-CD 3.22Å; S1105-K1110 WeakPolarHBondContact OG-CE 3.34Å; S1105-K1110 VanDerWaalsContact OG-CG 3.3Å; S1105-K1110 WeakPolarHBondContact OG-CG 3.5Å; S1105-K1110 PolarHBondContact OG-NZ 3.21Å
1106	S	44.5	Very low	35.7	Very low	47 Å²	47	122 Å²	122	33%	0.329	56%	0.557	S	S	.	*			trans	-48.7	134.2	172.6	159.3	0	0	0	0	110.2	E211 F1108 Q1109 K1110	E211-S1106 PolarHBondContact OE1-OG 3.35Å; S1106-F1108 PolarHBondContact O-N 3.23Å; S1106-F1108 PolarHBondContact OG-N 3.13Å; S1106-Q1109 PolarHBondContact O-N 3.3Å; S1106-Q1109 PolarHBondContact OG-N 3.18Å; S1106-Q1109 VanDerWaalsContact OG-N 3.12Å; S1106-K1110 PolarHBondContact O-N 2.95Å
1107	I	40.9	Very low	35.9	Very low	114 Å²	114	119.5 Å²	119.5	59%	0.585	55%	0.551	S	S	*	*	H	α-helix	trans	-64.3	-31.9	175.4	-70.4	173	0	0	0	109.5	S1105 K1110 I1111	S1105-I1107 PolarHBondContact O-N 3.46Å; I1107-K1110 CarbonylContact O-C 3.51Å; I1107-K1110 PolarHBondContact O-N 2.87Å; I1107-I1111 HydrophobicContact CG2-CD1 3.79Å; I1107-I1111 HydrophobicContact CG2-CG1 4.43Å; I1107-I1111 WeakPolarHBondContact O-CB 3.49Å; I1107-I1111 WeakPolarHBondContact O-CG1 3.23Å; I1107-I1111 PolarHBondContact O-N 2.93Å
1108	F	41.7	Very low	36.1	Very low	52 Å²	52	119.8 Å²	119.8	23%	0.228	55%	0.547	C	S	.	.	H	α-helix	trans	-75.6	-37	176.8	-88.3	-115.6	0	0	0	111.9	Y215 S1106 I1111 Q1112	Y215-F1108 AromaticContact CE1-CE2 3.95Å; Y215-F1108 HydrophobicContact CE1-CE2 3.95Å; Y215-F1108 HydrophobicContact CE1-CZ 4.08Å; Y215-F1108 HydrophobicContact CE2-CD1 4.45Å; Y215-F1108 AromaticContact CE2-CD2 3.78Å; Y215-F1108 HydrophobicContact CE2-CD2 3.78Å; Y215-F1108 HydrophobicContact CE2-CE1 4.38Å; Y215-F1108 AromaticContact CE2-CE2 3.75Å; Y215-F1108 HydrophobicContact CE2-CE2 3.75Å; Y215-F1108 HydrophobicContact CE2-CG 4.17Å; Y215-F1108 HydrophobicContact CE2-CZ 4.05Å; Y215-F1108 AromaticContact CZ-CD2 3.7Å; Y215-F1108 AromaticContact CZ-CE2 3.29Å; Y215-F1108 AromaticContact CZ-CZ 3.76Å; Y215-F1108 VanDerWaalsContact OH-CD2 3.3Å; Y215-F1108 WeakPolarHBondContact OH-CD2 3.35Å; Y215-F1108 WeakPolarHBondContact OH-CE2 3.4Å; S1106-F1108 PolarHBondContact O-N 3.23Å; S1106-F1108 PolarHBondContact OG-N 3.13Å; F1108-I1111 HydrophobicContact CD2-CD1 4.4Å; F1108-I1111 HydrophobicContact CE2-CD1 4.32Å; F1108-I1111 CarbonylContact O-C 3.51Å; F1108-I1111 PolarHBondContact O-N 3.3Å; F1108-I1111 VanDerWaalsContact O-N 3.15Å; F1108-Q1112 WeakPolarHBondContact O-CB 3.44Å; F1108-Q1112 PolarHBondContact O-N 3.29Å
1109	Q	43.1	Very low	36.3	Very low	61 Å²	61	112 Å²	112	29%	0.285	52%	0.523	S	S	.	.	H	α-helix	trans	-64.5	-40.2	168.2	-168.9	55	40.8	0	0	111.4	N333 S1106 I1111 Q1112 D1113	N333-Q1109 VanDerWaalsContact ND2-CD 3.29Å; N333-Q1109 VanDerWaalsContact ND2-CG 3.28Å; N333-Q1109 WeakPolarHBondContact ND2-CG 3.16Å; N333-Q1109 PolarHBondContact ND2-NE2 2.97Å; S1106-Q1109 PolarHBondContact O-N 3.3Å; S1106-Q1109 PolarHBondContact OG-N 3.18Å; S1106-Q1109 VanDerWaalsContact OG-N 3.12Å; Q1109-I1111 VanDerWaalsContact C-N 3.31Å; Q1109-I1111 PolarHBondContact O-N 3.06Å; Q1109-Q1112 PolarHBondContact O-N 3.24Å; Q1109-D1113 PolarHBondContact NE2-OD1 3.48Å; Q1109-D1113 PolarHBondContact NE2-OD2 3.07Å; Q1109-D1113 VanDerWaalsContact O-CB 3.29Å; Q1109-D1113 WeakPolarHBondContact O-CB 3.35Å; Q1109-D1113 PolarHBondContact O-N 2.91Å
1110	K	39.1	Very low	36.5	Very low	56 Å²	56	106.6 Å²	106.6	24%	0.243	50%	0.501	C	S	.	.	H	α-helix	trans	-63.9	-30.1	170.7	-100.2	169.3	179.6	112.7	0	113.2	S1103 S1105 S1106 I1107 R1114	S1103-K1110 PolarHBondContact O-NZ 3.29Å; S1103-K1110 PolarHBondContact OG-NZ 3.27Å; S1105-K1110 VanDerWaalsContact OG-CD 3.25Å; S1105-K1110 WeakPolarHBondContact OG-CD 3.22Å; S1105-K1110 WeakPolarHBondContact OG-CE 3.34Å; S1105-K1110 VanDerWaalsContact OG-CG 3.3Å; S1105-K1110 WeakPolarHBondContact OG-CG 3.5Å; S1105-K1110 PolarHBondContact OG-NZ 3.21Å; S1106-K1110 PolarHBondContact O-N 2.95Å; I1107-K1110 CarbonylContact O-C 3.51Å; I1107-K1110 PolarHBondContact O-N 2.87Å; K1110-R1114 WeakPolarHBondContact O-CB 3.1Å; K1110-R1114 VanDerWaalsContact O-CD 3.28Å; K1110-R1114 WeakPolarHBondContact O-CD 3.4Å; K1110-R1114 WeakPolarHBondContact O-CG 3.26Å; K1110-R1114 PolarHBondContact O-N 3.09Å
1111	I	44.6	Very low	36.5	Very low	62 Å²	62	101.3 Å²	101.3	32%	0.318	49%	0.486	S	S	.	.	H	α-helix	trans	-78	-38.9	175	-75.7	164.4	0	0	0	111	I1107 F1108 Q1109 R1114 R1115	I1107-I1111 HydrophobicContact CG2-CD1 3.79Å; I1107-I1111 HydrophobicContact CG2-CG1 4.43Å; I1107-I1111 WeakPolarHBondContact O-CB 3.49Å; I1107-I1111 WeakPolarHBondContact O-CG1 3.23Å; I1107-I1111 PolarHBondContact O-N 2.93Å; F1108-I1111 HydrophobicContact CD2-CD1 4.4Å; F1108-I1111 HydrophobicContact CE2-CD1 4.32Å; F1108-I1111 CarbonylContact O-C 3.51Å; F1108-I1111 PolarHBondContact O-N 3.3Å; F1108-I1111 VanDerWaalsContact O-N 3.15Å; Q1109-I1111 VanDerWaalsContact C-N 3.31Å; Q1109-I1111 PolarHBondContact O-N 3.06Å; I1111-R1114 CarbonylContact O-C 3.52Å; I1111-R1114 PolarHBondContact O-N 3.03Å; I1111-R1115 WeakPolarHBondContact O-CG 3.46Å; I1111-R1115 PolarHBondContact O-N 2.8Å
1112	Q	42.3	Very low	36.8	Very low	72 Å²	72	93.2 Å²	93.2	34%	0.336	46%	0.461	S	S	.	.	H	α-helix	trans	-71.6	-38.5	176.9	-163.5	70.8	-19.3	0	0	110.6	F1108 Q1109 R1114 R1115 N1116	F1108-Q1112 WeakPolarHBondContact O-CB 3.44Å; F1108-Q1112 PolarHBondContact O-N 3.29Å; Q1109-Q1112 PolarHBondContact O-N 3.24Å; Q1112-R1114 VanDerWaalsContact C-N 3.35Å; Q1112-R1115 CarbonylContact O-C 3.54Å; Q1112-R1115 WeakPolarHBondContact O-CA 2.74Å; Q1112-R1115 WeakPolarHBondContact O-CB 3.32Å; Q1112-R1115 PolarHBondContact O-N 3.02Å; Q1112-R1115 VanDerWaalsContact O-N 3.15Å; Q1112-N1116 WeakPolarHBondContact O-CB 3.42Å; Q1112-N1116 PolarHBondContact O-N 3.49Å; Q1112-N1116 PolarHBondContact O-ND2 3.27Å; Q1112-N1116 PolarHBondContact O-OD1 2.8Å
1113	D	42.2	Very low	37	Very low	56 Å²	56	84.9 Å²	84.9	30%	0.299	45%	0.452	S	S	.	.	H	α-helix	trans	-73.4	-25.1	171.7	-68.9	-27.1	0	0	0	112.9	N333 Q1109 N1116 K1117	N333-D1113 PolarHBondContact ND2-OD2 2.79Å; N333-D1113 VanDerWaalsContact ND2-OD2 3.15Å; Q1109-D1113 PolarHBondContact NE2-OD1 3.48Å; Q1109-D1113 PolarHBondContact NE2-OD2 3.07Å; Q1109-D1113 VanDerWaalsContact O-CB 3.29Å; Q1109-D1113 WeakPolarHBondContact O-CB 3.35Å; Q1109-D1113 PolarHBondContact O-N 2.91Å; D1113-N1116 PolarHBondContact OD1-ND2 3.03Å; D1113-N1116 VanDerWaalsContact OD1-ND2 3.09Å; D1113-K1117 VanDerWaalsContact O-CB 3.31Å; D1113-K1117 WeakPolarHBondContact O-CB 3.36Å; D1113-K1117 WeakPolarHBondContact O-CG 3.41Å; D1113-K1117 PolarHBondContact O-N 2.97Å
1114	R	39.6	Very low	36.9	Very low	150 Å²	150	85.5 Å²	85.5	57%	0.566	46%	0.462	S	S	*	.	H	α-helix	trans	-72.2	-33.5	164.4	-79.3	168	-171.3	-171.1	3.4	112.5	K1110 I1111 Q1112 W1118	K1110-R1114 WeakPolarHBondContact O-CB 3.1Å; K1110-R1114 VanDerWaalsContact O-CD 3.28Å; K1110-R1114 WeakPolarHBondContact O-CD 3.4Å; K1110-R1114 WeakPolarHBondContact O-CG 3.26Å; K1110-R1114 PolarHBondContact O-N 3.09Å; I1111-R1114 CarbonylContact O-C 3.52Å; I1111-R1114 PolarHBondContact O-N 3.03Å; Q1112-R1114 VanDerWaalsContact C-N 3.35Å; R1114-W1118 VanDerWaalsContact O-CB 3.23Å; R1114-W1118 WeakPolarHBondContact O-CB 3.43Å; R1114-W1118 VanDerWaalsContact O-CG 3.25Å; R1114-W1118 PolarHBondContact O-N 3.19Å
1115	R	41.2	Very low	36.8	Very low	129 Å²	129	89.3 Å²	89.3	49%	0.487	46%	0.462	S	S	.	.	H	α-helix	trans	-65.8	-46.5	169.6	-79.5	171	164.1	168.2	-5.4	110.2	I1111 Q1112 K1117 W1118 S1119	I1111-R1115 WeakPolarHBondContact O-CG 3.46Å; I1111-R1115 PolarHBondContact O-N 2.8Å; Q1112-R1115 CarbonylContact O-C 3.54Å; Q1112-R1115 WeakPolarHBondContact O-CA 2.74Å; Q1112-R1115 WeakPolarHBondContact O-CB 3.32Å; Q1112-R1115 PolarHBondContact O-N 3.02Å; Q1112-R1115 VanDerWaalsContact O-N 3.15Å; R1115-K1117 VanDerWaalsContact C-N 3.35Å; R1115-K1117 PolarHBondContact O-N 3.02Å; R1115-W1118 CarbonylContact O-C 3.58Å; R1115-W1118 PolarHBondContact O-N 2.67Å; R1115-S1119 PolarHBondContact O-N 2.92Å; R1115-S1119 PolarHBondContact O-OG 2.84Å
1116	N	36.8	Very low	36.4	Very low	70 Å²	70	96.2 Å²	96.2	37%	0.374	48%	0.479	S	S	.	.	H	α-helix	trans	-59.1	-42.5	174.9	-61.8	-26.4	0	0	0	111.3	Q1112 D1113 S1119 V1120	Q1112-N1116 WeakPolarHBondContact O-CB 3.42Å; Q1112-N1116 PolarHBondContact O-N 3.49Å; Q1112-N1116 PolarHBondContact O-ND2 3.27Å; Q1112-N1116 PolarHBondContact O-OD1 2.8Å; D1113-N1116 PolarHBondContact OD1-ND2 3.03Å; D1113-N1116 VanDerWaalsContact OD1-ND2 3.09Å; N1116-S1119 VanDerWaalsContact CA-OG 3.23Å; N1116-S1119 WeakPolarHBondContact CA-OG 3.32Å; N1116-S1119 PolarHBondContact O-N 3.29Å; N1116-S1119 PolarHBondContact O-OG 2.98Å; N1116-V1120 WeakPolarHBondContact O-CG2 3.3Å
1117	K	30.4	Very low	35.7	Very low	155 Å²	155	100.6 Å²	100.6	67%	0.674	50%	0.503	S	S	*	.	H	α-helix	trans	-72.5	-34.5	173.5	-75.6	-173.1	173.9	-170.8	0	113.8	D1113 R1115 S1119 V1120 T1121	D1113-K1117 VanDerWaalsContact O-CB 3.31Å; D1113-K1117 WeakPolarHBondContact O-CB 3.36Å; D1113-K1117 WeakPolarHBondContact O-CG 3.41Å; D1113-K1117 PolarHBondContact O-N 2.97Å; R1115-K1117 VanDerWaalsContact C-N 3.35Å; R1115-K1117 PolarHBondContact O-N 3.02Å; K1117-S1119 VanDerWaalsContact C-N 3.3Å; K1117-S1119 PolarHBondContact O-N 3.15Å; K1117-V1120 CarbonylContact O-C 3.37Å; K1117-V1120 WeakPolarHBondContact O-CA 3.27Å; K1117-V1120 WeakPolarHBondContact O-CB 3.5Å; K1117-V1120 PolarHBondContact O-N 2.71Å; K1117-T1121 PolarHBondContact O-N 2.81Å
1118	W	31.6	Very low	35.1	Very low	196 Å²	196	103.6 Å²	103.6	74%	0.742	51%	0.513	S	S	*	.	H	α-helix	trans	-70.2	-25.3	172.1	-76.6	-24.5	0	0	0	112.7	R1114 R1115 V1120	R1114-W1118 VanDerWaalsContact O-CB 3.23Å; R1114-W1118 WeakPolarHBondContact O-CB 3.43Å; R1114-W1118 VanDerWaalsContact O-CG 3.25Å; R1114-W1118 PolarHBondContact O-N 3.19Å; R1115-W1118 CarbonylContact O-C 3.58Å; R1115-W1118 PolarHBondContact O-N 2.67Å; W1118-V1120 PolarHBondContact O-N 2.85Å
1119	S	38	Very low	34.2	Very low	37 Å²	37	104.2 Å²	104.2	26%	0.259	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-8.1	165.1	36.8	0	0	0	0	114.5	K313 R1115 N1116 K1117	K313-S1119 PolarHBondContact NZ-O 3.15Å; R1115-S1119 PolarHBondContact O-N 2.92Å; R1115-S1119 PolarHBondContact O-OG 2.84Å; N1116-S1119 VanDerWaalsContact CA-OG 3.23Å; N1116-S1119 WeakPolarHBondContact CA-OG 3.32Å; N1116-S1119 PolarHBondContact O-N 3.29Å; N1116-S1119 PolarHBondContact O-OG 2.98Å; K1117-S1119 VanDerWaalsContact C-N 3.3Å; K1117-S1119 PolarHBondContact O-N 3.15Å
1120	V	30	Very low	33.4	Very low	43 Å²	43	108 Å²	108	26%	0.261	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116	-9	-176.2	169.3	0	0	0	0	112.8	N298 N1116 K1117 W1118	N298-V1120 HydrophobicContact CB-CG1 3.87Å; N298-V1120 VanDerWaalsContact CG-CG1 3.48Å; N298-V1120 WeakPolarHBondContact OD1-CG1 3.43Å; N1116-V1120 WeakPolarHBondContact O-CG2 3.3Å; K1117-V1120 CarbonylContact O-C 3.37Å; K1117-V1120 WeakPolarHBondContact O-CA 3.27Å; K1117-V1120 WeakPolarHBondContact O-CB 3.5Å; K1117-V1120 PolarHBondContact O-N 2.71Å; W1118-V1120 PolarHBondContact O-N 2.85Å
1121	T	27.6	Very low	32.8	Very low	94 Å²	94	116.8 Å²	116.8	58%	0.577	59%	0.592	S	S	*	*			trans	-139.1	101.3	175.6	-47.4	0	0	0	0	112.4	K1117	K1117-T1121 PolarHBondContact O-N 2.81Å
1122	P	34	Very low	32.1	Very low	48 Å²	48	129.2 Å²	129.2	31%	0.312	64%	0.635	S	S	.	*			trans	-82.9	144.3	178.7	-6.9	24.6	0	0	0	112.9	Y300 M301	Y300-P1122 HydrophobicContact CD2-CG 3.67Å; Y300-P1122 HydrophobicContact CE2-CG 4.16Å; M301-P1122 HydrophobicContact CB-CB 4.47Å; M301-P1122 HydrophobicContact CB-CG 4.49Å
1123	G	34.9	Very low	31.6	Very low	71 Å²	71	132.1 Å²	132.1	73%	0.732	65%	0.65	S	S	*	*			trans	93.8	81.1	151.7	0	0	0	0	0	117.6
1124	A	24.9	Very low	31	Very low	93 Å²	93	136.1 Å²	136.1	77%	0.769	67%	0.669	S	S	*	*			trans	-144.9	108	155.1	0	0	0	0	0	110.4
1125	K	31.7	Very low	30.6	Very low	212 Å²	212	135.3 Å²	135.3	92%	0.922	68%	0.675	S	S	*	*			trans	-64.8	135.1	169.7	-68.8	-179.2	179.6	178.8	0	108.8
1126	R	26.4	Very low	29.9	Very low	203 Å²	203	135.7 Å²	135.7	77%	0.766	69%	0.686	S	S	*	*			trans	-125.3	111.8	158.3	-70.4	-165.6	-169.7	-130.9	2.2	109.8	F1128	R1126-F1128 HydrophobicContact CB-CE2 4.39Å
1127	V	29.1	Very low	29.5	Very low	138 Å²	138	139.8 Å²	139.8	84%	0.836	71%	0.705	S	S	*	*			trans	-64.2	131.7	160.3	177.3	0	0	0	0	107.5
1128	F	27.5	Very low	29.4	Very low	177 Å²	177	138.8 Å²	138.8	78%	0.776	71%	0.707	S	S	*	*			trans	-109.8	97.1	162.7	-90.9	-84.9	0	0	0	108.1	R1126	R1126-F1128 HydrophobicContact CB-CE2 4.39Å
1129	G	23.7	Very low	29.3	Very low	66 Å²	66	134.7 Å²	134.7	68%	0.68	71%	0.705	S	S	*	*			trans	-75	136.2	164.7	0	0	0	0	0	109.4
1130	V	26.3	Very low	28.6	Very low	140 Å²	140	142.2 Å²	142.2	85%	0.848	74%	0.739	S	S	*	*			trans	-78.7	136.7	170.5	177.9	0	0	0	0	108.8
1131	R	25.9	Very low	28.5	Very low	240 Å²	240	150.5 Å²	150.5	91%	0.906	78%	0.779	S	S	*	*			trans	-125.7	160.1	149.5	-82.7	-166	171.8	-169.2	-2	108.6
1132	R	30	Very low	28.6	Very low	324 Å²	324	155.6 Å²	155.6	100%	1.223	80%	0.797	S	S	*	*			trans	-58.2	0	-167.5	-63	174.3	178.6	164.6	-3.4	111.9

Retrieved 1,132 of 1,132 residues in 760.8 ms (Link to these results)

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